NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19159 | 2edz | 10267 | 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 -22.668 -11.661 -12.792 2 HA2 GLY 1 1HA GLY 1 -25.120 -11.637 -11.741 3 HA3 GLY 1 2HA GLY 1 -24.691 -13.328 -11.528 4 H SER 2 H SER 2 -25.059 -10.801 -9.746 5 HA SER 2 HA SER 2 -22.559 -11.127 -8.222 6 HB2 SER 2 1HB SER 2 -24.414 -8.788 -8.561 7 HB3 SER 2 2HB SER 2 -23.383 -8.907 -7.135 8 HG SER 2 HG SER 2 -22.283 -7.770 -8.710 9 H SER 3 H SER 3 -23.254 -12.961 -7.091 10 HA SER 3 HA SER 3 -25.668 -12.776 -5.477 11 HB2 SER 3 1HB SER 3 -24.890 -14.884 -6.724 12 HB3 SER 3 2HB SER 3 -23.690 -15.052 -5.444 13 HG SER 3 HG SER 3 -25.207 -15.894 -4.281 14 H GLY 4 H GLY 4 -25.727 -12.717 -3.251 15 HA2 GLY 4 1HA GLY 4 -23.382 -11.589 -1.981 16 HA3 GLY 4 2HA GLY 4 -24.974 -11.775 -1.261 17 H SER 5 H SER 5 -22.043 -12.534 -0.564 18 HA SER 5 HA SER 5 -22.331 -15.401 -0.150 19 HB2 SER 5 1HB SER 5 -20.094 -13.434 0.103 20 HB3 SER 5 2HB SER 5 -20.005 -14.933 1.027 21 HG SER 5 HG SER 5 -19.195 -15.630 -0.805 22 H SER 6 H SER 6 -22.171 -16.386 1.922 23 HA SER 6 HA SER 6 -22.688 -14.639 4.220 24 HB2 SER 6 1HB SER 6 -24.393 -16.983 3.362 25 HB3 SER 6 2HB SER 6 -24.466 -16.271 4.974 26 HG SER 6 HG SER 6 -24.851 -14.223 3.771 27 H GLY 7 H GLY 7 -21.215 -15.082 5.713 28 HA2 GLY 7 1HA GLY 7 -20.479 -16.730 7.370 29 HA3 GLY 7 2HA GLY 7 -20.387 -17.897 6.059 30 H MET 8 H MET 8 -19.039 -14.753 7.049 31 HA MET 8 HA MET 8 -16.774 -14.876 5.382 32 HB2 MET 8 1HB MET 8 -15.868 -13.090 6.779 33 HB3 MET 8 2HB MET 8 -17.561 -12.792 6.410 34 HG2 MET 8 1HG MET 8 -18.104 -13.799 8.654 35 HG3 MET 8 2HG MET 8 -16.377 -13.749 8.997 36 HE1 MET 8 3HE MET 8 -18.503 -11.139 10.984 37 HE2 MET 8 1HE MET 8 -19.600 -11.244 9.606 38 HE3 MET 8 2HE MET 8 -18.923 -12.713 10.308 39 H ALA 9 H ALA 9 -14.541 -15.188 6.004 40 HA ALA 9 HA ALA 9 -14.266 -17.409 7.894 41 HB1 ALA 9 3HB ALA 9 -12.773 -18.266 6.482 42 HB2 ALA 9 1HB ALA 9 -13.275 -17.019 5.341 43 HB3 ALA 9 2HB ALA 9 -11.880 -16.748 6.386 44 H SER 10 H SER 10 -12.386 -14.518 6.961 45 HA SER 10 HA SER 10 -12.036 -13.728 9.693 46 HB2 SER 10 1HB SER 10 -9.663 -14.838 8.178 47 HB3 SER 10 2HB SER 10 -9.546 -13.917 9.677 48 HG SER 10 HG SER 10 -11.196 -15.692 10.344 49 H THR 11 H THR 11 -10.849 -11.714 9.895 50 HA THR 11 HA THR 11 -10.231 -10.299 7.427 51 HB THR 11 HB THR 11 -11.623 -8.329 8.146 52 HG1 THR 11 1HG THR 11 -11.926 -9.518 10.337 53 HG21 THR 11 3HG2 THR 11 -13.809 -9.396 7.409 54 HG22 THR 11 1HG2 THR 11 -12.930 -10.923 7.354 55 HG23 THR 11 2HG2 THR 11 -12.439 -9.584 6.315 56 H PHE 12 H PHE 12 -8.555 -8.949 7.675 57 HA PHE 12 HA PHE 12 -7.436 -8.640 10.346 58 HB2 PHE 12 1HB PHE 12 -6.304 -7.904 7.639 59 HB3 PHE 12 2HB PHE 12 -5.439 -7.793 9.168 60 HD1 PHE 12 1HD PHE 12 -4.662 -9.781 10.308 61 HD2 PHE 12 2HD PHE 12 -6.727 -10.037 6.595 62 HE1 PHE 12 1HE PHE 12 -3.911 -12.111 10.055 63 HE2 PHE 12 2HE PHE 12 -5.981 -12.367 6.337 64 HZ PHE 12 HZ PHE 12 -4.572 -13.407 8.068 65 H ASN 13 H ASN 13 -6.263 -6.425 10.663 66 HA ASN 13 HA ASN 13 -8.243 -4.318 10.099 67 HB2 ASN 13 1HB ASN 13 -6.253 -4.197 12.351 68 HB3 ASN 13 2HB ASN 13 -7.784 -3.343 12.185 69 HD21 ASN 13 1HD2 ASN 13 -6.219 -6.248 13.162 70 HD22 ASN 13 2HD2 ASN 13 -7.604 -7.018 13.850 71 HA PRO 14 HA PRO 14 -4.484 -3.058 7.762 72 HB2 PRO 14 1HB PRO 14 -5.876 -1.925 5.725 73 HB3 PRO 14 2HB PRO 14 -5.503 -3.651 5.790 74 HG2 PRO 14 1HG PRO 14 -8.035 -2.231 6.519 75 HG3 PRO 14 2HG PRO 14 -7.820 -3.742 5.617 76 HD2 PRO 14 1HD PRO 14 -8.505 -3.694 8.237 77 HD3 PRO 14 2HD PRO 14 -7.516 -4.989 7.532 78 H ARG 15 H ARG 15 -3.641 -0.971 7.383 79 HA ARG 15 HA ARG 15 -5.071 1.158 8.819 80 HB2 ARG 15 1HB ARG 15 -2.935 0.660 9.809 81 HB3 ARG 15 2HB ARG 15 -2.132 0.766 8.248 82 HG2 ARG 15 1HG ARG 15 -1.587 2.803 9.082 83 HG3 ARG 15 2HG ARG 15 -3.121 3.218 8.314 84 HD2 ARG 15 1HD ARG 15 -3.147 4.172 10.491 85 HD3 ARG 15 2HD ARG 15 -4.231 2.783 10.520 86 HE ARG 15 HE ARG 15 -1.758 1.867 11.351 87 HH11 ARG 15 1HH1 ARG 15 -4.124 4.188 12.416 88 HH12 ARG 15 2HH1 ARG 15 -3.726 4.021 14.093 89 HH21 ARG 15 1HH2 ARG 15 -1.223 1.638 13.557 90 HH22 ARG 15 2HH2 ARG 15 -2.075 2.570 14.741 91 H GLU 16 H GLU 16 -5.960 2.713 7.646 92 HA GLU 16 HA GLU 16 -5.311 2.986 4.840 93 HB2 GLU 16 1HB GLU 16 -7.658 3.086 5.781 94 HB3 GLU 16 2HB GLU 16 -7.239 4.655 6.453 95 HG2 GLU 16 1HG GLU 16 -6.694 5.409 4.133 96 HG3 GLU 16 2HG GLU 16 -7.357 3.883 3.550 97 H CYS 17 H CYS 17 -4.709 4.981 3.842 98 HA CYS 17 HA CYS 17 -3.442 6.935 5.632 99 HB2 CYS 17 1HB CYS 17 -2.194 5.673 3.185 100 HB3 CYS 17 2HB CYS 17 -1.532 7.073 4.020 101 HG CYS 17 HG CYS 17 -0.078 4.723 4.654 102 H LYS 18 H LYS 18 -3.529 9.047 4.975 103 HA LYS 18 HA LYS 18 -4.876 9.586 2.411 104 HB2 LYS 18 1HB LYS 18 -5.531 10.550 5.156 105 HB3 LYS 18 2HB LYS 18 -5.769 11.658 3.811 106 HG2 LYS 18 1HG LYS 18 -6.882 8.916 3.576 107 HG3 LYS 18 2HG LYS 18 -7.688 10.061 4.651 108 HD2 LYS 18 1HD LYS 18 -8.263 11.481 2.922 109 HD3 LYS 18 2HD LYS 18 -6.966 10.900 1.875 110 HE2 LYS 18 1HE LYS 18 -8.998 10.072 0.973 111 HE3 LYS 18 2HE LYS 18 -8.195 8.709 1.751 112 HZ1 LYS 18 3HZ LYS 18 -10.590 8.829 2.235 113 HZ2 LYS 18 1HZ LYS 18 -10.355 10.322 2.995 114 HZ3 LYS 18 2HZ LYS 18 -9.644 8.927 3.634 115 H LEU 19 H LEU 19 -3.015 10.174 1.335 116 HA LEU 19 HA LEU 19 -1.274 12.200 2.479 117 HB2 LEU 19 1HB LEU 19 -1.188 10.424 0.089 118 HB3 LEU 19 2HB LEU 19 -0.209 11.889 0.095 119 HG LEU 19 HG LEU 19 0.717 10.996 2.332 120 HD11 LEU 19 1HD1 LEU 19 -0.406 8.454 1.162 121 HD12 LEU 19 2HD1 LEU 19 -0.936 9.234 2.652 122 HD13 LEU 19 3HD1 LEU 19 0.691 8.564 2.538 123 HD21 LEU 19 3HD2 LEU 19 2.144 9.289 0.879 124 HD22 LEU 19 1HD2 LEU 19 2.311 11.037 0.712 125 HD23 LEU 19 2HD2 LEU 19 1.328 10.132 -0.438 126 H SER 20 H SER 20 -1.013 14.267 1.702 127 HA SER 20 HA SER 20 -2.745 15.145 -0.491 128 HB2 SER 20 1HB SER 20 -3.360 17.176 0.884 129 HB3 SER 20 2HB SER 20 -4.076 15.661 1.432 130 HG SER 20 HG SER 20 -3.270 16.562 3.243 131 H LYS 21 H LYS 21 -1.694 16.401 -1.880 132 HA LYS 21 HA LYS 21 0.488 18.104 -0.952 133 HB2 LYS 21 1HB LYS 21 2.082 17.287 -2.516 134 HB3 LYS 21 2HB LYS 21 1.440 15.880 -1.678 135 HG2 LYS 21 1HG LYS 21 0.010 15.370 -3.564 136 HG3 LYS 21 2HG LYS 21 0.559 16.826 -4.399 137 HD2 LYS 21 1HD LYS 21 2.931 15.758 -4.021 138 HD3 LYS 21 2HD LYS 21 2.000 14.264 -3.891 139 HE2 LYS 21 1HE LYS 21 0.890 15.054 -6.093 140 HE3 LYS 21 2HE LYS 21 2.289 16.118 -6.226 141 HZ1 LYS 21 3HZ LYS 21 2.699 13.255 -5.704 142 HZ2 LYS 21 1HZ LYS 21 3.717 14.360 -6.482 143 HZ3 LYS 21 2HZ LYS 21 2.348 13.766 -7.277 144 H GLN 22 H GLN 22 1.251 19.578 -2.730 145 HA GLN 22 HA GLN 22 -1.084 20.564 -4.169 146 HB2 GLN 22 1HB GLN 22 1.629 21.763 -3.612 147 HB3 GLN 22 2HB GLN 22 0.422 22.543 -4.625 148 HG2 GLN 22 1HG GLN 22 -0.291 21.701 -1.855 149 HG3 GLN 22 2HG GLN 22 0.632 23.180 -2.118 150 HE21 GLN 22 1HE2 GLN 22 -1.144 24.337 -1.240 151 HE22 GLN 22 2HE2 GLN 22 -2.541 24.670 -2.199 152 H GLU 23 H GLU 23 -0.862 21.313 -6.404 153 HA GLU 23 HA GLU 23 0.098 19.296 -8.101 154 HB2 GLU 23 1HB GLU 23 -0.175 21.275 -9.849 155 HB3 GLU 23 2HB GLU 23 -1.567 20.476 -9.131 156 HG2 GLU 23 1HG GLU 23 -2.043 22.258 -7.741 157 HG3 GLU 23 2HG GLU 23 -0.406 22.905 -7.841 158 H GLY 24 H GLY 24 2.131 18.819 -8.583 159 HA2 GLY 24 1HA GLY 24 4.159 19.447 -9.727 160 HA3 GLY 24 2HA GLY 24 4.030 21.036 -8.988 161 H GLN 25 H GLN 25 3.432 20.073 -6.339 162 HA GLN 25 HA GLN 25 6.105 19.662 -5.427 163 HB2 GLN 25 1HB GLN 25 3.436 20.014 -4.163 164 HB3 GLN 25 2HB GLN 25 4.691 19.247 -3.198 165 HG2 GLN 25 1HG GLN 25 4.935 21.932 -4.536 166 HG3 GLN 25 2HG GLN 25 4.549 21.671 -2.836 167 HE21 GLN 25 1HE2 GLN 25 6.677 23.203 -3.468 168 HE22 GLN 25 2HE2 GLN 25 8.149 22.380 -3.093 169 H ASN 26 H ASN 26 6.593 17.913 -3.783 170 HA ASN 26 HA ASN 26 5.662 15.343 -4.863 171 HB2 ASN 26 1HB ASN 26 8.056 15.666 -5.078 172 HB3 ASN 26 2HB ASN 26 8.192 16.052 -3.365 173 HD21 ASN 26 1HD2 ASN 26 7.058 13.482 -5.522 174 HD22 ASN 26 2HD2 ASN 26 7.593 12.175 -4.527 175 H TYR 27 H TYR 27 5.472 13.540 -3.326 176 HA TYR 27 HA TYR 27 3.935 14.344 -1.032 177 HB2 TYR 27 1HB TYR 27 4.564 11.754 -2.382 178 HB3 TYR 27 2HB TYR 27 3.976 11.717 -0.724 179 HD1 TYR 27 2HD TYR 27 1.872 13.439 -0.400 180 HD2 TYR 27 1HD TYR 27 2.958 11.440 -3.995 181 HE1 TYR 27 2HE TYR 27 -0.440 13.654 -1.210 182 HE2 TYR 27 1HE TYR 27 0.649 11.651 -4.817 183 HH TYR 27 HH TYR 27 -1.318 13.063 -4.438 184 H GLY 28 H GLY 28 7.083 12.873 -1.622 185 HA2 GLY 28 1HA GLY 28 8.820 13.525 0.026 186 HA3 GLY 28 2HA GLY 28 7.644 13.128 1.270 187 H PHE 29 H PHE 29 6.716 10.752 -0.231 188 HA PHE 29 HA PHE 29 8.978 8.992 0.439 189 HB2 PHE 29 1HB PHE 29 7.498 7.404 1.224 190 HB3 PHE 29 2HB PHE 29 6.628 8.882 1.624 191 HD1 PHE 29 1HD PHE 29 4.870 9.700 -0.042 192 HD2 PHE 29 2HD PHE 29 6.507 5.771 -0.093 193 HE1 PHE 29 1HE PHE 29 2.936 8.915 -1.345 194 HE2 PHE 29 2HE PHE 29 4.576 4.980 -1.397 195 HZ PHE 29 HZ PHE 29 2.788 6.552 -2.025 196 H PHE 30 H PHE 30 9.003 6.898 -0.803 197 HA PHE 30 HA PHE 30 8.073 7.224 -3.567 198 HB2 PHE 30 1HB PHE 30 10.895 6.611 -2.686 199 HB3 PHE 30 2HB PHE 30 10.312 6.291 -4.316 200 HD1 PHE 30 2HD PHE 30 11.103 8.912 -1.869 201 HD2 PHE 30 1HD PHE 30 9.981 8.057 -5.885 202 HE1 PHE 30 2HE PHE 30 11.627 11.230 -2.506 203 HE2 PHE 30 1HE PHE 30 10.503 10.373 -6.528 204 HZ PHE 30 HZ PHE 30 11.326 11.964 -4.838 205 H LEU 31 H LEU 31 7.750 5.288 -4.713 206 HA LEU 31 HA LEU 31 7.269 2.990 -2.990 207 HB2 LEU 31 1HB LEU 31 6.322 3.894 -5.651 208 HB3 LEU 31 2HB LEU 31 6.356 2.158 -5.348 209 HG LEU 31 HG LEU 31 4.886 4.149 -3.626 210 HD11 LEU 31 1HD1 LEU 31 3.391 4.251 -5.270 211 HD12 LEU 31 2HD1 LEU 31 3.035 2.559 -4.924 212 HD13 LEU 31 3HD1 LEU 31 4.195 2.976 -6.185 213 HD21 LEU 31 3HD2 LEU 31 5.509 2.108 -2.464 214 HD22 LEU 31 1HD2 LEU 31 4.814 1.136 -3.762 215 HD23 LEU 31 2HD2 LEU 31 3.769 2.143 -2.758 216 H ARG 32 H ARG 32 9.053 1.797 -2.667 217 HA ARG 32 HA ARG 32 10.611 0.999 -5.038 218 HB2 ARG 32 1HB ARG 32 11.455 1.588 -2.220 219 HB3 ARG 32 2HB ARG 32 12.413 0.508 -3.223 220 HG2 ARG 32 1HG ARG 32 11.657 3.243 -4.177 221 HG3 ARG 32 2HG ARG 32 13.056 2.986 -3.133 222 HD2 ARG 32 1HD ARG 32 12.657 1.433 -5.673 223 HD3 ARG 32 2HD ARG 32 13.448 3.008 -5.660 224 HE ARG 32 HE ARG 32 14.536 1.071 -3.809 225 HH11 ARG 32 1HH1 ARG 32 14.697 2.463 -6.996 226 HH12 ARG 32 2HH1 ARG 32 16.340 1.983 -7.265 227 HH21 ARG 32 1HH2 ARG 32 16.699 0.433 -4.151 228 HH22 ARG 32 2HH2 ARG 32 17.477 0.827 -5.646 229 H ILE 33 H ILE 33 11.754 -1.153 -4.698 230 HA ILE 33 HA ILE 33 10.087 -3.016 -3.151 231 HB ILE 33 HB ILE 33 10.345 -4.663 -5.043 232 HG12 ILE 33 1HG1 ILE 33 10.555 -3.368 -7.315 233 HG13 ILE 33 2HG1 ILE 33 11.421 -2.185 -6.342 234 HG21 ILE 33 1HG2 ILE 33 8.518 -2.491 -4.721 235 HG22 ILE 33 2HG2 ILE 33 8.711 -2.841 -6.438 236 HG23 ILE 33 3HG2 ILE 33 8.213 -4.118 -5.328 237 HD11 ILE 33 3HD1 ILE 33 12.347 -4.649 -7.441 238 HD12 ILE 33 1HD1 ILE 33 13.253 -3.388 -6.606 239 HD13 ILE 33 2HD1 ILE 33 12.500 -4.690 -5.685 240 H GLU 34 H GLU 34 11.121 -4.995 -2.564 241 HA GLU 34 HA GLU 34 14.062 -4.881 -2.708 242 HB2 GLU 34 1HB GLU 34 13.224 -4.343 -0.451 243 HB3 GLU 34 2HB GLU 34 12.379 -5.884 -0.406 244 HG2 GLU 34 1HG GLU 34 14.303 -6.292 0.808 245 HG3 GLU 34 2HG GLU 34 14.689 -6.932 -0.788 246 H LYS 35 H LYS 35 15.157 -6.763 -3.109 247 HA LYS 35 HA LYS 35 13.876 -8.773 -4.572 248 HB2 LYS 35 1HB LYS 35 15.975 -9.873 -4.658 249 HB3 LYS 35 2HB LYS 35 16.331 -8.151 -4.624 250 HG2 LYS 35 1HG LYS 35 16.277 -9.685 -2.068 251 HG3 LYS 35 2HG LYS 35 17.678 -9.810 -3.135 252 HD2 LYS 35 1HD LYS 35 17.475 -7.175 -3.124 253 HD3 LYS 35 2HD LYS 35 16.663 -7.479 -1.586 254 HE2 LYS 35 1HE LYS 35 18.959 -7.139 -1.095 255 HE3 LYS 35 2HE LYS 35 18.654 -8.867 -0.931 256 HZ1 LYS 35 3HZ LYS 35 19.901 -7.532 -3.273 257 HZ2 LYS 35 1HZ LYS 35 19.572 -9.187 -3.156 258 HZ3 LYS 35 2HZ LYS 35 20.703 -8.474 -2.120 259 H ASP 36 H ASP 36 13.294 -10.883 -4.097 260 HA ASP 36 HA ASP 36 12.295 -12.502 -2.839 261 HB2 ASP 36 1HB ASP 36 14.591 -11.929 -0.954 262 HB3 ASP 36 2HB ASP 36 13.643 -13.412 -1.028 263 H THR 37 H THR 37 11.150 -9.992 -2.486 264 HA THR 37 HA THR 37 10.266 -10.179 0.315 265 HB THR 37 HB THR 37 10.504 -7.551 -1.147 266 HG1 THR 37 1HG THR 37 12.602 -8.197 -0.874 267 HG21 THR 37 3HG2 THR 37 9.095 -7.091 0.582 268 HG22 THR 37 1HG2 THR 37 10.620 -6.942 1.454 269 HG23 THR 37 2HG2 THR 37 9.683 -8.433 1.563 270 H ASP 38 H ASP 38 8.099 -9.978 0.668 271 HA ASP 38 HA ASP 38 6.402 -10.054 -1.701 272 HB2 ASP 38 1HB ASP 38 5.931 -10.699 1.207 273 HB3 ASP 38 2HB ASP 38 4.614 -10.618 0.041 274 H GLY 39 H GLY 39 4.637 -8.682 -2.036 275 HA2 GLY 39 1HA GLY 39 3.347 -6.776 -1.820 276 HA3 GLY 39 2HA GLY 39 4.040 -6.536 -0.223 277 H HIS 40 H HIS 40 4.100 -4.267 -0.787 278 HA HIS 40 HA HIS 40 6.289 -3.583 -2.634 279 HB2 HIS 40 1HB HIS 40 3.857 -2.035 -1.752 280 HB3 HIS 40 2HB HIS 40 5.228 -1.257 -2.537 281 HD1 HIS 40 1HD HIS 40 5.806 -2.274 -5.001 282 HD2 HIS 40 2HD HIS 40 2.025 -3.063 -3.471 283 HE1 HIS 40 1HE HIS 40 4.410 -2.955 -6.979 284 HE2 HIS 40 2HE HIS 40 2.105 -3.345 -6.041 285 H LEU 41 H LEU 41 7.832 -2.028 -2.004 286 HA LEU 41 HA LEU 41 8.097 -1.751 0.914 287 HB2 LEU 41 1HB LEU 41 10.205 -1.722 -1.240 288 HB3 LEU 41 2HB LEU 41 10.512 -1.455 0.474 289 HG LEU 41 HG LEU 41 11.063 -3.751 -0.432 290 HD11 LEU 41 1HD1 LEU 41 10.413 -2.989 2.014 291 HD12 LEU 41 2HD1 LEU 41 10.696 -4.683 1.613 292 HD13 LEU 41 3HD1 LEU 41 9.047 -4.068 1.725 293 HD21 LEU 41 3HD2 LEU 41 8.113 -4.259 -0.247 294 HD22 LEU 41 1HD2 LEU 41 9.374 -5.277 -0.943 295 HD23 LEU 41 2HD2 LEU 41 8.874 -3.803 -1.772 296 H ILE 42 H ILE 42 8.407 0.223 1.828 297 HA ILE 42 HA ILE 42 8.389 2.543 0.009 298 HB ILE 42 HB ILE 42 7.048 2.245 2.696 299 HG12 ILE 42 1HG1 ILE 42 5.787 3.015 0.071 300 HG13 ILE 42 2HG1 ILE 42 5.978 1.329 0.541 301 HG21 ILE 42 1HG2 ILE 42 7.343 4.432 2.966 302 HG22 ILE 42 2HG2 ILE 42 8.038 4.601 1.355 303 HG23 ILE 42 3HG2 ILE 42 6.289 4.674 1.573 304 HD11 ILE 42 3HD1 ILE 42 4.335 3.453 1.879 305 HD12 ILE 42 1HD1 ILE 42 3.791 1.945 1.142 306 HD13 ILE 42 2HD1 ILE 42 4.714 1.910 2.645 307 H ARG 43 H ARG 43 10.307 3.505 0.043 308 HA ARG 43 HA ARG 43 11.637 3.875 2.644 309 HB2 ARG 43 1HB ARG 43 12.652 2.196 0.867 310 HB3 ARG 43 2HB ARG 43 13.266 3.680 0.151 311 HG2 ARG 43 1HG ARG 43 14.434 4.231 2.188 312 HG3 ARG 43 2HG ARG 43 13.738 2.826 2.998 313 HD2 ARG 43 1HD ARG 43 15.458 2.636 0.534 314 HD3 ARG 43 2HD ARG 43 16.104 2.554 2.173 315 HE ARG 43 HE ARG 43 14.771 0.475 0.757 316 HH11 ARG 43 1HH1 ARG 43 15.265 1.816 3.932 317 HH12 ARG 43 2HH1 ARG 43 14.983 0.317 4.752 318 HH21 ARG 43 1HH2 ARG 43 14.398 -1.506 1.826 319 HH22 ARG 43 2HH2 ARG 43 14.491 -1.573 3.553 320 H VAL 44 H VAL 44 13.270 5.691 2.566 321 HA VAL 44 HA VAL 44 13.860 7.856 2.132 322 HB VAL 44 HB VAL 44 12.078 7.816 -0.297 323 HG11 VAL 44 1HG1 VAL 44 14.430 9.450 0.601 324 HG12 VAL 44 2HG1 VAL 44 13.949 9.371 -1.095 325 HG13 VAL 44 3HG1 VAL 44 12.826 9.996 0.113 326 HG21 VAL 44 3HG2 VAL 44 13.586 5.844 -0.299 327 HG22 VAL 44 1HG2 VAL 44 13.922 6.985 -1.602 328 HG23 VAL 44 2HG2 VAL 44 14.963 6.940 -0.178 329 H ILE 45 H ILE 45 11.862 7.356 3.933 330 HA ILE 45 HA ILE 45 9.598 9.072 3.384 331 HB ILE 45 HB ILE 45 10.401 7.602 5.896 332 HG12 ILE 45 1HG1 ILE 45 8.169 7.028 3.938 333 HG13 ILE 45 2HG1 ILE 45 9.731 6.217 3.915 334 HG21 ILE 45 1HG2 ILE 45 7.629 8.334 5.774 335 HG22 ILE 45 2HG2 ILE 45 8.826 8.693 7.017 336 HG23 ILE 45 3HG2 ILE 45 8.644 9.769 5.632 337 HD11 ILE 45 3HD1 ILE 45 8.962 5.856 6.498 338 HD12 ILE 45 1HD1 ILE 45 7.418 5.802 5.647 339 HD13 ILE 45 2HD1 ILE 45 8.716 4.697 5.192 340 H GLU 46 H GLU 46 10.603 11.099 3.086 341 HA GLU 46 HA GLU 46 12.434 12.370 4.678 342 HB2 GLU 46 1HB GLU 46 10.046 13.502 3.222 343 HB3 GLU 46 2HB GLU 46 11.260 14.512 3.994 344 HG2 GLU 46 1HG GLU 46 11.977 12.455 1.934 345 HG3 GLU 46 2HG GLU 46 11.497 14.095 1.502 346 H GLU 47 H GLU 47 12.149 14.096 6.284 347 HA GLU 47 HA GLU 47 10.373 13.215 8.384 348 HB2 GLU 47 1HB GLU 47 12.838 14.132 8.542 349 HB3 GLU 47 2HB GLU 47 12.032 15.693 8.597 350 HG2 GLU 47 1HG GLU 47 10.682 14.830 10.517 351 HG3 GLU 47 2HG GLU 47 11.715 13.402 10.517 352 H GLY 48 H GLY 48 8.713 14.397 9.328 353 HA2 GLY 48 1HA GLY 48 6.893 15.794 9.341 354 HA3 GLY 48 2HA GLY 48 7.999 17.029 8.759 355 H SER 49 H SER 49 7.523 14.162 6.877 356 HA SER 49 HA SER 49 6.407 15.760 4.730 357 HB2 SER 49 1HB SER 49 7.018 14.037 3.294 358 HB3 SER 49 2HB SER 49 8.225 13.877 4.569 359 HG SER 49 HG SER 49 7.333 12.054 5.209 360 HA PRO 50 HA PRO 50 2.196 14.619 5.211 361 HB2 PRO 50 1HB PRO 50 1.379 14.525 2.623 362 HB3 PRO 50 2HB PRO 50 1.738 16.039 3.463 363 HG2 PRO 50 1HG PRO 50 3.448 14.471 1.570 364 HG3 PRO 50 2HG PRO 50 3.190 16.223 1.656 365 HD2 PRO 50 1HD PRO 50 5.392 15.023 2.676 366 HD3 PRO 50 2HD PRO 50 4.683 16.485 3.392 367 H ALA 51 H ALA 51 4.420 12.577 3.635 368 HA ALA 51 HA ALA 51 2.548 10.459 3.040 369 HB1 ALA 51 3HB ALA 51 5.007 11.107 2.060 370 HB2 ALA 51 1HB ALA 51 5.388 9.758 3.130 371 HB3 ALA 51 2HB ALA 51 4.206 9.552 1.837 372 H GLU 52 H GLU 52 5.062 11.093 5.458 373 HA GLU 52 HA GLU 52 4.726 8.608 6.811 374 HB2 GLU 52 1HB GLU 52 6.793 10.017 6.903 375 HB3 GLU 52 2HB GLU 52 5.909 11.168 7.895 376 HG2 GLU 52 1HG GLU 52 5.462 9.026 9.366 377 HG3 GLU 52 2HG GLU 52 6.934 8.468 8.574 378 H LYS 53 H LYS 53 3.402 11.844 7.215 379 HA LYS 53 HA LYS 53 2.258 11.716 9.699 380 HB2 LYS 53 1HB LYS 53 1.400 13.014 7.141 381 HB3 LYS 53 2HB LYS 53 0.331 13.072 8.536 382 HG2 LYS 53 1HG LYS 53 3.178 13.882 8.865 383 HG3 LYS 53 2HG LYS 53 2.049 14.988 8.079 384 HD2 LYS 53 1HD LYS 53 0.668 15.089 9.999 385 HD3 LYS 53 2HD LYS 53 1.482 13.713 10.746 386 HE2 LYS 53 1HE LYS 53 3.486 15.003 11.059 387 HE3 LYS 53 2HE LYS 53 2.810 16.353 10.148 388 HZ1 LYS 53 3HZ LYS 53 2.659 16.790 12.493 389 HZ2 LYS 53 1HZ LYS 53 1.839 15.335 12.763 390 HZ3 LYS 53 2HZ LYS 53 1.100 16.570 11.874 391 H ALA 54 H ALA 54 1.336 9.983 6.836 392 HA ALA 54 HA ALA 54 -1.210 9.137 7.944 393 HB1 ALA 54 3HB ALA 54 -1.763 8.512 5.856 394 HB2 ALA 54 1HB ALA 54 -0.388 9.516 5.395 395 HB3 ALA 54 2HB ALA 54 -0.193 7.769 5.549 396 H GLY 55 H GLY 55 1.171 8.439 9.427 397 HA2 GLY 55 1HA GLY 55 2.046 6.639 10.549 398 HA3 GLY 55 2HA GLY 55 0.592 5.777 10.068 399 H LEU 56 H LEU 56 2.623 7.075 7.595 400 HA LEU 56 HA LEU 56 3.087 4.467 6.512 401 HB2 LEU 56 1HB LEU 56 2.783 6.765 5.316 402 HB3 LEU 56 2HB LEU 56 4.520 6.916 5.574 403 HG LEU 56 HG LEU 56 4.807 4.767 4.322 404 HD11 LEU 56 1HD1 LEU 56 2.575 4.606 2.759 405 HD12 LEU 56 2HD1 LEU 56 1.890 4.927 4.351 406 HD13 LEU 56 3HD1 LEU 56 2.951 3.539 4.112 407 HD21 LEU 56 3HD2 LEU 56 3.513 6.314 2.274 408 HD22 LEU 56 1HD2 LEU 56 5.233 6.059 2.568 409 HD23 LEU 56 2HD2 LEU 56 4.384 7.370 3.387 410 H LEU 57 H LEU 57 4.671 3.134 7.057 411 HA LEU 57 HA LEU 57 7.145 4.272 8.183 412 HB2 LEU 57 1HB LEU 57 5.530 1.883 8.903 413 HB3 LEU 57 2HB LEU 57 7.280 1.785 9.086 414 HG LEU 57 HG LEU 57 6.872 4.061 10.408 415 HD11 LEU 57 1HD1 LEU 57 4.527 2.774 11.530 416 HD12 LEU 57 2HD1 LEU 57 4.269 3.315 9.872 417 HD13 LEU 57 3HD1 LEU 57 4.796 4.464 11.101 418 HD21 LEU 57 3HD2 LEU 57 6.480 1.270 11.478 419 HD22 LEU 57 1HD2 LEU 57 6.771 2.694 12.476 420 HD23 LEU 57 2HD2 LEU 57 8.001 2.152 11.333 421 H ASP 58 H ASP 58 9.071 2.793 7.897 422 HA ASP 58 HA ASP 58 9.430 2.287 5.117 423 HB2 ASP 58 1HB ASP 58 11.677 1.920 5.615 424 HB3 ASP 58 2HB ASP 58 11.175 3.016 6.900 425 H GLY 59 H GLY 59 9.405 0.414 3.987 426 HA2 GLY 59 1HA GLY 59 9.373 -1.888 3.614 427 HA3 GLY 59 2HA GLY 59 9.369 -2.145 5.352 428 H ASP 60 H ASP 60 7.047 -0.027 5.223 429 HA ASP 60 HA ASP 60 4.940 -1.754 5.665 430 HB2 ASP 60 1HB ASP 60 5.060 1.124 4.816 431 HB3 ASP 60 2HB ASP 60 3.507 0.305 4.964 432 H ARG 61 H ARG 61 3.651 -2.956 4.425 433 HA ARG 61 HA ARG 61 4.017 -2.853 1.536 434 HB2 ARG 61 1HB ARG 61 2.998 -4.859 3.480 435 HB3 ARG 61 2HB ARG 61 2.345 -4.916 1.848 436 HG2 ARG 61 1HG ARG 61 4.192 -6.423 1.986 437 HG3 ARG 61 2HG ARG 61 4.665 -5.051 0.982 438 HD2 ARG 61 1HD ARG 61 6.109 -4.216 2.566 439 HD3 ARG 61 2HD ARG 61 5.247 -4.974 3.904 440 HE ARG 61 HE ARG 61 7.368 -6.115 2.343 441 HH11 ARG 61 1HH1 ARG 61 4.592 -6.807 4.325 442 HH12 ARG 61 2HH1 ARG 61 5.143 -8.387 4.773 443 HH21 ARG 61 1HH2 ARG 61 8.105 -8.194 2.925 444 HH22 ARG 61 2HH2 ARG 61 7.141 -9.175 3.977 445 H VAL 62 H VAL 62 2.637 -1.859 0.230 446 HA VAL 62 HA VAL 62 0.135 -0.833 1.288 447 HB VAL 62 HB VAL 62 1.456 0.698 -0.028 448 HG11 VAL 62 1HG1 VAL 62 2.732 -0.125 -1.656 449 HG12 VAL 62 2HG1 VAL 62 1.778 -1.608 -1.743 450 HG13 VAL 62 3HG1 VAL 62 1.282 -0.184 -2.658 451 HG21 VAL 62 3HG2 VAL 62 -0.638 1.425 -0.433 452 HG22 VAL 62 1HG2 VAL 62 -0.319 0.844 -2.067 453 HG23 VAL 62 2HG2 VAL 62 -1.207 -0.169 -0.929 454 H LEU 63 H LEU 63 -1.157 -2.667 1.485 455 HA LEU 63 HA LEU 63 -1.557 -4.757 -0.193 456 HB2 LEU 63 1HB LEU 63 -3.777 -3.232 1.158 457 HB3 LEU 63 2HB LEU 63 -3.826 -4.915 0.639 458 HG LEU 63 HG LEU 63 -1.773 -4.085 2.636 459 HD11 LEU 63 1HD1 LEU 63 -4.716 -4.316 3.123 460 HD12 LEU 63 2HD1 LEU 63 -3.576 -3.112 3.722 461 HD13 LEU 63 3HD1 LEU 63 -3.554 -4.749 4.377 462 HD21 LEU 63 3HD2 LEU 63 -2.671 -6.445 3.449 463 HD22 LEU 63 1HD2 LEU 63 -1.467 -6.291 2.169 464 HD23 LEU 63 2HD2 LEU 63 -3.161 -6.556 1.758 465 H ARG 64 H ARG 64 -3.356 -1.683 -0.405 466 HA ARG 64 HA ARG 64 -3.615 -2.128 -3.295 467 HB2 ARG 64 1HB ARG 64 -5.911 -0.893 -1.850 468 HB3 ARG 64 2HB ARG 64 -5.895 -1.827 -3.340 469 HG2 ARG 64 1HG ARG 64 -5.599 -3.877 -2.100 470 HG3 ARG 64 2HG ARG 64 -5.484 -2.975 -0.588 471 HD2 ARG 64 1HD ARG 64 -7.684 -3.561 -0.499 472 HD3 ARG 64 2HD ARG 64 -7.829 -2.047 -1.392 473 HE ARG 64 HE ARG 64 -7.501 -4.328 -3.095 474 HH11 ARG 64 1HH1 ARG 64 -9.800 -2.441 -1.285 475 HH12 ARG 64 2HH1 ARG 64 -11.150 -2.904 -2.267 476 HH21 ARG 64 1HH2 ARG 64 -9.271 -4.944 -4.395 477 HH22 ARG 64 2HH2 ARG 64 -10.848 -4.328 -4.035 478 H ILE 65 H ILE 65 -3.770 -0.244 -4.557 479 HA ILE 65 HA ILE 65 -2.869 2.186 -3.165 480 HB ILE 65 HB ILE 65 -1.499 1.025 -5.073 481 HG12 ILE 65 1HG1 ILE 65 -0.790 3.087 -4.052 482 HG13 ILE 65 2HG1 ILE 65 -0.680 3.281 -5.798 483 HG21 ILE 65 1HG2 ILE 65 -3.370 2.737 -6.701 484 HG22 ILE 65 2HG2 ILE 65 -2.012 1.783 -7.293 485 HG23 ILE 65 3HG2 ILE 65 -3.433 0.976 -6.631 486 HD11 ILE 65 3HD1 ILE 65 -2.724 4.423 -3.926 487 HD12 ILE 65 1HD1 ILE 65 -1.594 5.278 -4.975 488 HD13 ILE 65 2HD1 ILE 65 -2.948 4.390 -5.675 489 H ASN 66 H ASN 66 -4.254 3.811 -3.003 490 HA ASN 66 HA ASN 66 -6.089 5.126 -3.295 491 HB2 ASN 66 1HB ASN 66 -4.675 5.402 -5.497 492 HB3 ASN 66 2HB ASN 66 -6.034 4.557 -6.234 493 HD21 ASN 66 1HD2 ASN 66 -5.009 7.437 -4.567 494 HD22 ASN 66 2HD2 ASN 66 -6.384 8.400 -4.973 495 H GLY 67 H GLY 67 -6.476 2.223 -2.929 496 HA2 GLY 67 1HA GLY 67 -8.454 1.028 -2.586 497 HA3 GLY 67 2HA GLY 67 -9.295 2.170 -3.625 498 H VAL 68 H VAL 68 -6.355 0.443 -4.489 499 HA VAL 68 HA VAL 68 -7.880 -1.352 -6.226 500 HB VAL 68 HB VAL 68 -5.606 0.358 -7.242 501 HG11 VAL 68 1HG1 VAL 68 -5.454 -1.627 -8.435 502 HG12 VAL 68 2HG1 VAL 68 -7.201 -1.876 -8.437 503 HG13 VAL 68 3HG1 VAL 68 -6.486 -0.631 -9.462 504 HG21 VAL 68 3HG2 VAL 68 -8.419 0.475 -8.254 505 HG22 VAL 68 1HG2 VAL 68 -7.943 1.408 -6.836 506 HG23 VAL 68 2HG2 VAL 68 -7.135 1.677 -8.380 507 H PHE 69 H PHE 69 -7.163 -3.354 -5.970 508 HA PHE 69 HA PHE 69 -4.953 -4.047 -4.411 509 HB2 PHE 69 1HB PHE 69 -6.977 -5.482 -5.041 510 HB3 PHE 69 2HB PHE 69 -6.122 -5.833 -6.539 511 HD1 PHE 69 2HD PHE 69 -5.097 -5.623 -2.956 512 HD2 PHE 69 1HD PHE 69 -5.248 -7.947 -6.518 513 HE1 PHE 69 2HE PHE 69 -3.869 -7.430 -1.825 514 HE2 PHE 69 1HE PHE 69 -4.021 -9.759 -5.393 515 HZ PHE 69 HZ PHE 69 -3.328 -9.501 -3.043 516 H VAL 70 H VAL 70 -2.887 -3.694 -4.856 517 HA VAL 70 HA VAL 70 -1.960 -4.082 -7.628 518 HB VAL 70 HB VAL 70 -0.168 -2.436 -7.146 519 HG11 VAL 70 1HG1 VAL 70 -2.613 -0.891 -6.579 520 HG12 VAL 70 2HG1 VAL 70 -1.441 -0.728 -7.889 521 HG13 VAL 70 3HG1 VAL 70 -2.691 -1.970 -7.972 522 HG21 VAL 70 3HG2 VAL 70 -0.805 -0.873 -5.145 523 HG22 VAL 70 1HG2 VAL 70 -1.591 -2.326 -4.526 524 HG23 VAL 70 2HG2 VAL 70 0.139 -2.336 -4.866 525 H ASP 71 H ASP 71 -1.986 -6.309 -6.224 526 HA ASP 71 HA ASP 71 0.555 -6.652 -4.840 527 HB2 ASP 71 1HB ASP 71 -1.764 -7.679 -4.177 528 HB3 ASP 71 2HB ASP 71 -1.356 -8.895 -5.384 529 H LYS 72 H LYS 72 -1.139 -7.930 -7.685 530 HA LYS 72 HA LYS 72 1.245 -9.352 -8.546 531 HB2 LYS 72 1HB LYS 72 -0.884 -10.467 -8.847 532 HB3 LYS 72 2HB LYS 72 -1.510 -9.104 -9.765 533 HG2 LYS 72 1HG LYS 72 -0.971 -10.723 -11.363 534 HG3 LYS 72 2HG LYS 72 0.357 -9.561 -11.426 535 HD2 LYS 72 1HD LYS 72 1.435 -11.187 -9.665 536 HD3 LYS 72 2HD LYS 72 0.318 -12.353 -10.377 537 HE2 LYS 72 1HE LYS 72 1.288 -11.446 -12.632 538 HE3 LYS 72 2HE LYS 72 2.635 -10.934 -11.616 539 HZ1 LYS 72 3HZ LYS 72 1.642 -13.685 -12.073 540 HZ2 LYS 72 1HZ LYS 72 2.683 -13.302 -10.796 541 HZ3 LYS 72 2HZ LYS 72 3.182 -13.063 -12.394 542 H GLU 73 H GLU 73 -0.321 -6.341 -9.088 543 HA GLU 73 HA GLU 73 0.481 -5.725 -11.684 544 HB2 GLU 73 1HB GLU 73 0.147 -3.914 -9.288 545 HB3 GLU 73 2HB GLU 73 0.352 -3.341 -10.937 546 HG2 GLU 73 1HG GLU 73 -1.904 -5.089 -9.981 547 HG3 GLU 73 2HG GLU 73 -1.992 -3.343 -10.208 548 H GLU 74 H GLU 74 2.180 -4.179 -12.345 549 HA GLU 74 HA GLU 74 4.715 -4.939 -11.126 550 HB2 GLU 74 1HB GLU 74 3.871 -3.847 -13.764 551 HB3 GLU 74 2HB GLU 74 5.499 -3.480 -13.213 552 HG2 GLU 74 1HG GLU 74 6.183 -5.664 -13.327 553 HG3 GLU 74 2HG GLU 74 4.550 -6.299 -13.131 554 H HIS 75 H HIS 75 6.366 -3.360 -10.671 555 HA HIS 75 HA HIS 75 5.641 -1.345 -8.968 556 HB2 HIS 75 1HB HIS 75 7.899 -1.976 -8.910 557 HB3 HIS 75 2HB HIS 75 8.106 -1.741 -10.643 558 HD1 HIS 75 1HD HIS 75 6.748 0.766 -8.140 559 HD2 HIS 75 2HD HIS 75 9.983 0.229 -10.691 560 HE1 HIS 75 1HE HIS 75 8.036 2.924 -8.056 561 HE2 HIS 75 2HE HIS 75 9.941 2.606 -9.672 562 H ALA 76 H ALA 76 5.838 -1.242 -12.451 563 HA ALA 76 HA ALA 76 5.659 1.614 -12.652 564 HB1 ALA 76 3HB ALA 76 5.174 1.103 -15.076 565 HB2 ALA 76 1HB ALA 76 6.713 0.504 -14.455 566 HB3 ALA 76 2HB ALA 76 5.354 -0.602 -14.663 567 H GLN 77 H GLN 77 3.400 -1.053 -12.559 568 HA GLN 77 HA GLN 77 1.134 0.332 -13.532 569 HB2 GLN 77 1HB GLN 77 1.613 -2.198 -12.040 570 HB3 GLN 77 2HB GLN 77 -0.014 -1.532 -12.005 571 HG2 GLN 77 1HG GLN 77 1.569 -2.317 -14.439 572 HG3 GLN 77 2HG GLN 77 0.150 -3.130 -13.780 573 HE21 GLN 77 1HE2 GLN 77 -1.636 -1.253 -13.341 574 HE22 GLN 77 2HE2 GLN 77 -2.025 -0.378 -14.779 575 H VAL 78 H VAL 78 2.574 0.011 -10.348 576 HA VAL 78 HA VAL 78 0.372 1.245 -8.973 577 HB VAL 78 HB VAL 78 3.199 0.798 -8.003 578 HG11 VAL 78 1HG1 VAL 78 2.162 0.935 -5.761 579 HG12 VAL 78 2HG1 VAL 78 2.044 2.445 -6.667 580 HG13 VAL 78 3HG1 VAL 78 0.638 1.389 -6.523 581 HG21 VAL 78 3HG2 VAL 78 1.184 -0.973 -6.926 582 HG22 VAL 78 1HG2 VAL 78 1.295 -1.113 -8.680 583 HG23 VAL 78 2HG2 VAL 78 2.730 -1.356 -7.683 584 H VAL 79 H VAL 79 3.776 2.272 -9.286 585 HA VAL 79 HA VAL 79 3.714 4.799 -8.418 586 HB VAL 79 HB VAL 79 5.725 3.818 -9.387 587 HG11 VAL 79 1HG1 VAL 79 6.052 3.383 -11.630 588 HG12 VAL 79 2HG1 VAL 79 4.352 2.955 -11.427 589 HG13 VAL 79 3HG1 VAL 79 4.793 4.507 -12.141 590 HG21 VAL 79 3HG2 VAL 79 5.585 6.173 -11.103 591 HG22 VAL 79 1HG2 VAL 79 4.997 6.462 -9.466 592 HG23 VAL 79 2HG2 VAL 79 6.627 5.839 -9.720 593 H GLU 80 H GLU 80 2.665 3.837 -11.678 594 HA GLU 80 HA GLU 80 1.967 6.379 -12.605 595 HB2 GLU 80 1HB GLU 80 2.163 4.397 -14.054 596 HB3 GLU 80 2HB GLU 80 0.714 3.722 -13.321 597 HG2 GLU 80 1HG GLU 80 0.533 6.421 -14.541 598 HG3 GLU 80 2HG GLU 80 0.644 5.025 -15.611 599 H LEU 81 H LEU 81 -0.103 3.883 -11.128 600 HA LEU 81 HA LEU 81 -2.503 5.253 -11.145 601 HB2 LEU 81 1HB LEU 81 -1.362 3.244 -9.229 602 HB3 LEU 81 2HB LEU 81 -2.986 3.898 -9.026 603 HG LEU 81 HG LEU 81 -2.269 2.668 -11.642 604 HD11 LEU 81 1HD1 LEU 81 -3.189 0.970 -9.349 605 HD12 LEU 81 2HD1 LEU 81 -1.479 1.168 -9.727 606 HD13 LEU 81 3HD1 LEU 81 -2.570 0.468 -10.922 607 HD21 LEU 81 3HD2 LEU 81 -4.805 2.213 -10.166 608 HD22 LEU 81 1HD2 LEU 81 -4.521 2.438 -11.892 609 HD23 LEU 81 2HD2 LEU 81 -4.500 3.828 -10.807 610 H VAL 82 H VAL 82 0.130 5.415 -8.791 611 HA VAL 82 HA VAL 82 -1.123 6.997 -6.861 612 HB VAL 82 HB VAL 82 1.800 7.033 -7.624 613 HG11 VAL 82 1HG1 VAL 82 0.981 8.909 -6.176 614 HG12 VAL 82 2HG1 VAL 82 0.540 7.699 -4.970 615 HG13 VAL 82 3HG1 VAL 82 2.227 7.898 -5.446 616 HG21 VAL 82 3HG2 VAL 82 1.750 4.888 -6.985 617 HG22 VAL 82 1HG2 VAL 82 1.548 5.516 -5.350 618 HG23 VAL 82 2HG2 VAL 82 0.136 5.039 -6.292 619 H ARG 83 H ARG 83 0.268 7.828 -9.945 620 HA ARG 83 HA ARG 83 0.394 10.648 -9.451 621 HB2 ARG 83 1HB ARG 83 0.498 9.057 -12.019 622 HB3 ARG 83 2HB ARG 83 0.758 10.793 -11.919 623 HG2 ARG 83 1HG ARG 83 2.579 10.093 -10.161 624 HG3 ARG 83 2HG ARG 83 2.501 8.558 -11.027 625 HD2 ARG 83 1HD ARG 83 4.182 9.734 -12.133 626 HD3 ARG 83 2HD ARG 83 2.762 9.971 -13.152 627 HE ARG 83 HE ARG 83 2.716 12.121 -11.509 628 HH11 ARG 83 1HH1 ARG 83 5.154 10.724 -13.565 629 HH12 ARG 83 2HH1 ARG 83 5.929 12.238 -13.895 630 HH21 ARG 83 1HH2 ARG 83 3.728 14.121 -11.936 631 HH22 ARG 83 2HH2 ARG 83 5.117 14.170 -12.967 632 H LYS 84 H LYS 84 -1.674 8.674 -11.588 633 HA LYS 84 HA LYS 84 -3.470 10.723 -12.241 634 HB2 LYS 84 1HB LYS 84 -4.963 8.942 -13.000 635 HB3 LYS 84 2HB LYS 84 -3.308 8.632 -13.510 636 HG2 LYS 84 1HG LYS 84 -3.136 7.156 -11.431 637 HG3 LYS 84 2HG LYS 84 -4.897 7.261 -11.371 638 HD2 LYS 84 1HD LYS 84 -3.362 6.360 -13.802 639 HD3 LYS 84 2HD LYS 84 -3.986 5.253 -12.576 640 HE2 LYS 84 1HE LYS 84 -6.256 6.319 -12.997 641 HE3 LYS 84 2HE LYS 84 -5.529 7.056 -14.424 642 HZ1 LYS 84 3HZ LYS 84 -6.334 4.319 -13.970 643 HZ2 LYS 84 1HZ LYS 84 -4.821 4.485 -14.709 644 HZ3 LYS 84 2HZ LYS 84 -6.190 5.180 -15.419 645 H SER 85 H SER 85 -3.165 8.786 -9.405 646 HA SER 85 HA SER 85 -5.654 8.636 -8.325 647 HB2 SER 85 1HB SER 85 -2.986 9.217 -7.074 648 HB3 SER 85 2HB SER 85 -4.442 9.182 -6.079 649 HG SER 85 HG SER 85 -3.748 7.125 -6.052 650 H GLY 86 H GLY 86 -3.555 11.500 -8.325 651 HA2 GLY 86 1HA GLY 86 -4.739 13.639 -8.747 652 HA3 GLY 86 2HA GLY 86 -5.922 13.099 -7.565 653 H ASN 87 H ASN 87 -5.199 15.389 -6.850 654 HA ASN 87 HA ASN 87 -2.755 15.933 -5.694 655 HB2 ASN 87 1HB ASN 87 -5.522 16.817 -4.859 656 HB3 ASN 87 2HB ASN 87 -4.043 17.488 -4.177 657 HD21 ASN 87 1HD2 ASN 87 -2.479 18.360 -5.790 658 HD22 ASN 87 2HD2 ASN 87 -3.129 19.225 -7.137 659 H SER 88 H SER 88 -5.408 14.018 -4.448 660 HA SER 88 HA SER 88 -3.806 13.440 -2.042 661 HB2 SER 88 1HB SER 88 -6.811 13.331 -2.395 662 HB3 SER 88 2HB SER 88 -5.947 12.850 -0.934 663 HG SER 88 HG SER 88 -5.450 14.916 -0.524 664 H VAL 89 H VAL 89 -3.149 11.409 -1.729 665 HA VAL 89 HA VAL 89 -4.340 9.294 -3.405 666 HB VAL 89 HB VAL 89 -1.472 9.480 -2.474 667 HG11 VAL 89 1HG1 VAL 89 -2.604 7.182 -2.761 668 HG12 VAL 89 2HG1 VAL 89 -2.545 7.540 -4.488 669 HG13 VAL 89 3HG1 VAL 89 -1.053 7.462 -3.551 670 HG21 VAL 89 3HG2 VAL 89 -2.650 10.856 -4.545 671 HG22 VAL 89 1HG2 VAL 89 -0.932 10.487 -4.394 672 HG23 VAL 89 2HG2 VAL 89 -1.981 9.433 -5.342 673 H THR 90 H THR 90 -4.786 7.335 -2.472 674 HA THR 90 HA THR 90 -4.526 7.228 0.461 675 HB THR 90 HB THR 90 -6.521 5.703 -1.220 676 HG1 THR 90 1HG THR 90 -7.803 7.395 -1.104 677 HG21 THR 90 3HG2 THR 90 -7.572 5.131 0.803 678 HG22 THR 90 1HG2 THR 90 -6.677 6.347 1.713 679 HG23 THR 90 2HG2 THR 90 -5.852 4.904 1.121 680 H LEU 91 H LEU 91 -3.682 5.437 1.441 681 HA LEU 91 HA LEU 91 -2.920 3.155 -0.227 682 HB2 LEU 91 1HB LEU 91 -1.008 4.554 1.635 683 HB3 LEU 91 2HB LEU 91 -0.667 3.131 0.653 684 HG LEU 91 HG LEU 91 -1.460 5.699 -0.661 685 HD11 LEU 91 1HD1 LEU 91 0.471 6.741 -0.264 686 HD12 LEU 91 2HD1 LEU 91 1.412 5.266 -0.481 687 HD13 LEU 91 3HD1 LEU 91 0.666 5.615 1.079 688 HD21 LEU 91 3HD2 LEU 91 -0.076 4.797 -2.466 689 HD22 LEU 91 1HD2 LEU 91 -1.352 3.670 -2.005 690 HD23 LEU 91 2HD2 LEU 91 0.306 3.390 -1.471 691 H LEU 92 H LEU 92 -2.853 1.203 0.837 692 HA LEU 92 HA LEU 92 -3.748 1.255 3.642 693 HB2 LEU 92 1HB LEU 92 -4.253 -0.762 1.464 694 HB3 LEU 92 2HB LEU 92 -4.676 -1.015 3.156 695 HG LEU 92 HG LEU 92 -5.771 1.273 1.537 696 HD11 LEU 92 1HD1 LEU 92 -6.550 -0.568 0.332 697 HD12 LEU 92 2HD1 LEU 92 -7.851 -0.216 1.468 698 HD13 LEU 92 3HD1 LEU 92 -6.745 -1.553 1.782 699 HD21 LEU 92 3HD2 LEU 92 -7.410 0.183 3.650 700 HD22 LEU 92 1HD2 LEU 92 -6.845 1.836 3.400 701 HD23 LEU 92 2HD2 LEU 92 -5.827 0.677 4.255 702 H VAL 93 H VAL 93 -2.076 0.864 4.942 703 HA VAL 93 HA VAL 93 -0.038 -1.078 4.107 704 HB VAL 93 HB VAL 93 1.366 -0.153 5.878 705 HG11 VAL 93 1HG1 VAL 93 1.610 2.161 4.959 706 HG12 VAL 93 2HG1 VAL 93 1.575 0.886 3.738 707 HG13 VAL 93 3HG1 VAL 93 0.144 1.880 4.020 708 HG21 VAL 93 3HG2 VAL 93 -1.128 1.349 6.541 709 HG22 VAL 93 1HG2 VAL 93 0.006 0.523 7.611 710 HG23 VAL 93 2HG2 VAL 93 0.442 2.072 6.890 711 H LEU 94 H LEU 94 0.278 -2.954 5.165 712 HA LEU 94 HA LEU 94 -1.475 -3.509 7.464 713 HB2 LEU 94 1HB LEU 94 -1.695 -4.817 5.266 714 HB3 LEU 94 2HB LEU 94 -0.183 -5.592 5.734 715 HG LEU 94 HG LEU 94 -1.371 -6.278 7.874 716 HD11 LEU 94 1HD1 LEU 94 -3.867 -5.750 6.290 717 HD12 LEU 94 2HD1 LEU 94 -3.244 -4.607 7.479 718 HD13 LEU 94 3HD1 LEU 94 -3.716 -6.230 7.981 719 HD21 LEU 94 3HD2 LEU 94 -2.188 -8.253 6.898 720 HD22 LEU 94 1HD2 LEU 94 -0.904 -7.705 5.821 721 HD23 LEU 94 2HD2 LEU 94 -2.592 -7.439 5.386 722 H ASP 95 H ASP 95 -0.653 -4.804 9.185 723 HA ASP 95 HA ASP 95 2.053 -4.160 9.871 724 HB2 ASP 95 1HB ASP 95 0.522 -4.148 11.674 725 HB3 ASP 95 2HB ASP 95 -0.125 -5.728 11.240 726 H GLY 96 H GLY 96 3.779 -5.580 10.235 727 HA2 GLY 96 1HA GLY 96 4.269 -7.526 8.351 728 HA3 GLY 96 2HA GLY 96 5.096 -7.434 9.899 729 H ASP 97 H ASP 97 3.487 -8.203 11.766 730 HA ASP 97 HA ASP 97 3.300 -10.929 11.646 731 HB2 ASP 97 1HB ASP 97 1.264 -9.360 13.204 732 HB3 ASP 97 2HB ASP 97 2.086 -10.853 13.649 733 H SER 98 H SER 98 0.543 -8.699 11.235 734 HA SER 98 HA SER 98 -1.381 -10.565 10.562 735 HB2 SER 98 1HB SER 98 -1.112 -7.752 9.472 736 HB3 SER 98 2HB SER 98 -2.585 -8.721 9.468 737 HG SER 98 HG SER 98 -2.201 -8.803 11.855 738 H TYR 99 H TYR 99 0.564 -8.636 8.275 739 HA TYR 99 HA TYR 99 -0.282 -9.725 5.910 740 HB2 TYR 99 1HB TYR 99 1.382 -7.845 6.238 741 HB3 TYR 99 2HB TYR 99 2.613 -9.079 6.479 742 HD1 TYR 99 2HD TYR 99 3.015 -10.744 4.585 743 HD2 TYR 99 1HD TYR 99 0.794 -7.150 4.079 744 HE1 TYR 99 2HE TYR 99 3.359 -10.880 2.153 745 HE2 TYR 99 1HE TYR 99 1.132 -7.277 1.646 746 HH TYR 99 HH TYR 99 2.489 -8.275 0.024 747 H GLU 100 H GLU 100 2.523 -10.869 7.797 748 HA GLU 100 HA GLU 100 3.205 -13.058 6.273 749 HB2 GLU 100 1HB GLU 100 3.290 -12.829 9.287 750 HB3 GLU 100 2HB GLU 100 4.166 -14.019 8.336 751 HG2 GLU 100 1HG GLU 100 5.568 -12.387 7.388 752 HG3 GLU 100 2HG GLU 100 4.535 -11.069 7.938 753 H LYS 101 H LYS 101 0.981 -13.030 9.058 754 HA LYS 101 HA LYS 101 0.220 -15.701 8.969 755 HB2 LYS 101 1HB LYS 101 -0.319 -13.914 10.731 756 HB3 LYS 101 2HB LYS 101 -1.676 -13.479 9.701 757 HG2 LYS 101 1HG LYS 101 -2.759 -15.504 10.058 758 HG3 LYS 101 2HG LYS 101 -1.285 -16.303 10.609 759 HD2 LYS 101 1HD LYS 101 -2.385 -13.987 12.146 760 HD3 LYS 101 2HD LYS 101 -3.104 -15.588 12.336 761 HE2 LYS 101 1HE LYS 101 -0.920 -16.498 12.946 762 HE3 LYS 101 2HE LYS 101 -0.192 -14.906 12.737 763 HZ1 LYS 101 3HZ LYS 101 -2.357 -15.485 14.681 764 HZ2 LYS 101 1HZ LYS 101 -1.449 -14.063 14.555 765 HZ3 LYS 101 2HZ LYS 101 -0.712 -15.494 15.075 766 H ALA 102 H ALA 102 -0.784 -13.008 6.999 767 HA ALA 102 HA ALA 102 -3.086 -14.300 5.886 768 HB1 ALA 102 3HB ALA 102 -3.133 -12.427 4.325 769 HB2 ALA 102 1HB ALA 102 -2.915 -11.865 5.983 770 HB3 ALA 102 2HB ALA 102 -1.539 -11.914 4.880 771 H VAL 103 H VAL 103 0.095 -13.439 4.510 772 HA VAL 103 HA VAL 103 -0.203 -14.787 2.088 773 HB VAL 103 HB VAL 103 1.593 -13.230 2.327 774 HG11 VAL 103 1HG1 VAL 103 2.646 -15.055 4.484 775 HG12 VAL 103 2HG1 VAL 103 3.522 -13.678 3.813 776 HG13 VAL 103 3HG1 VAL 103 2.015 -13.422 4.694 777 HG21 VAL 103 3HG2 VAL 103 3.245 -15.670 2.207 778 HG22 VAL 103 1HG2 VAL 103 1.868 -15.612 1.106 779 HG23 VAL 103 2HG2 VAL 103 3.093 -14.344 1.055 780 H LYS 104 H LYS 104 0.271 -16.023 5.239 781 HA LYS 104 HA LYS 104 1.366 -18.558 4.336 782 HB2 LYS 104 1HB LYS 104 0.737 -17.350 7.005 783 HB3 LYS 104 2HB LYS 104 0.945 -19.091 6.868 784 HG2 LYS 104 1HG LYS 104 2.995 -17.110 5.915 785 HG3 LYS 104 2HG LYS 104 2.987 -17.798 7.541 786 HD2 LYS 104 1HD LYS 104 2.848 -19.651 5.214 787 HD3 LYS 104 2HD LYS 104 4.395 -18.887 5.590 788 HE2 LYS 104 1HE LYS 104 4.065 -19.699 7.963 789 HE3 LYS 104 2HE LYS 104 2.725 -20.667 7.352 790 HZ1 LYS 104 3HZ LYS 104 4.618 -22.051 7.373 791 HZ2 LYS 104 1HZ LYS 104 5.590 -20.884 6.629 792 HZ3 LYS 104 2HZ LYS 104 4.363 -21.646 5.750 793 H ASN 105 H ASN 105 -1.678 -17.219 5.469 794 HA ASN 105 HA ASN 105 -2.959 -19.840 5.316 795 HB2 ASN 105 1HB ASN 105 -3.937 -17.150 6.289 796 HB3 ASN 105 2HB ASN 105 -4.966 -18.575 6.186 797 HD21 ASN 105 1HD2 ASN 105 -3.427 -16.792 8.315 798 HD22 ASN 105 2HD2 ASN 105 -2.944 -17.982 9.471 799 H GLN 106 H GLN 106 -2.044 -17.869 3.059 800 HA GLN 106 HA GLN 106 -2.804 -17.129 1.032 801 HB2 GLN 106 1HB GLN 106 -4.080 -19.813 1.422 802 HB3 GLN 106 2HB GLN 106 -4.420 -18.882 -0.031 803 HG2 GLN 106 1HG GLN 106 -1.642 -19.581 0.878 804 HG3 GLN 106 2HG GLN 106 -2.586 -20.570 -0.235 805 HE21 GLN 106 1HE2 GLN 106 -3.653 -19.043 -2.001 806 HE22 GLN 106 2HE2 GLN 106 -2.514 -18.029 -2.814 807 H VAL 107 H VAL 107 -4.163 -15.915 3.164 808 HA VAL 107 HA VAL 107 -6.994 -15.933 2.562 809 HB VAL 107 HB VAL 107 -5.414 -14.169 4.439 810 HG11 VAL 107 1HG1 VAL 107 -8.352 -14.587 4.667 811 HG12 VAL 107 2HG1 VAL 107 -7.363 -13.213 5.167 812 HG13 VAL 107 3HG1 VAL 107 -7.751 -13.449 3.462 813 HG21 VAL 107 3HG2 VAL 107 -5.982 -15.614 6.176 814 HG22 VAL 107 1HG2 VAL 107 -7.256 -16.394 5.237 815 HG23 VAL 107 2HG2 VAL 107 -5.562 -16.708 4.857 816 H ASP 108 H ASP 108 -7.974 -14.665 1.135 817 HA ASP 108 HA ASP 108 -6.679 -13.008 -0.657 818 HB2 ASP 108 1HB ASP 108 -9.545 -12.594 0.190 819 HB3 ASP 108 2HB ASP 108 -8.827 -12.292 -1.390 820 H LEU 109 H LEU 109 -5.431 -11.341 -0.077 821 HA LEU 109 HA LEU 109 -6.104 -9.637 2.149 822 HB2 LEU 109 1HB LEU 109 -3.861 -9.686 0.155 823 HB3 LEU 109 2HB LEU 109 -4.053 -8.362 1.302 824 HG LEU 109 HG LEU 109 -3.723 -11.246 2.114 825 HD11 LEU 109 1HD1 LEU 109 -1.700 -10.706 1.041 826 HD12 LEU 109 2HD1 LEU 109 -1.403 -10.455 2.761 827 HD13 LEU 109 3HD1 LEU 109 -1.690 -9.072 1.705 828 HD21 LEU 109 3HD2 LEU 109 -3.508 -8.662 3.655 829 HD22 LEU 109 1HD2 LEU 109 -3.197 -10.275 4.297 830 HD23 LEU 109 2HD2 LEU 109 -4.821 -9.835 3.768 831 H LYS 110 H LYS 110 -6.089 -9.408 -1.370 832 HA LYS 110 HA LYS 110 -6.486 -6.733 -1.785 833 HB2 LYS 110 1HB LYS 110 -7.622 -7.313 -3.842 834 HB3 LYS 110 2HB LYS 110 -6.294 -8.435 -3.575 835 HG2 LYS 110 1HG LYS 110 -8.157 -9.902 -2.467 836 HG3 LYS 110 2HG LYS 110 -9.230 -8.906 -3.452 837 HD2 LYS 110 1HD LYS 110 -6.826 -10.172 -4.698 838 HD3 LYS 110 2HD LYS 110 -8.271 -11.143 -4.403 839 HE2 LYS 110 1HE LYS 110 -8.444 -8.503 -5.812 840 HE3 LYS 110 2HE LYS 110 -8.000 -9.967 -6.687 841 HZ1 LYS 110 3HZ LYS 110 -10.566 -9.112 -5.774 842 HZ2 LYS 110 1HZ LYS 110 -10.206 -10.677 -5.240 843 HZ3 LYS 110 2HZ LYS 110 -10.170 -10.318 -6.893 844 H GLU 111 H GLU 111 -8.785 -9.086 -0.577 845 HA GLU 111 HA GLU 111 -11.144 -7.614 -0.858 846 HB2 GLU 111 1HB GLU 111 -10.389 -9.595 1.297 847 HB3 GLU 111 2HB GLU 111 -12.021 -9.025 0.977 848 HG2 GLU 111 1HG GLU 111 -10.419 -10.329 -1.182 849 HG3 GLU 111 2HG GLU 111 -11.266 -11.297 0.024 850 H LEU 112 H LEU 112 -8.686 -7.577 1.670 851 HA LEU 112 HA LEU 112 -9.817 -6.203 3.699 852 HB2 LEU 112 1HB LEU 112 -7.131 -5.527 2.511 853 HB3 LEU 112 2HB LEU 112 -7.657 -5.199 4.161 854 HG LEU 112 HG LEU 112 -7.538 -8.014 3.147 855 HD11 LEU 112 1HD1 LEU 112 -5.299 -6.234 3.390 856 HD12 LEU 112 2HD1 LEU 112 -5.340 -7.922 2.881 857 HD13 LEU 112 3HD1 LEU 112 -5.193 -7.521 4.592 858 HD21 LEU 112 3HD2 LEU 112 -7.556 -6.623 5.794 859 HD22 LEU 112 1HD2 LEU 112 -6.871 -8.242 5.645 860 HD23 LEU 112 2HD2 LEU 112 -8.559 -7.957 5.220 861 H ASP 113 H ASP 113 -11.200 -4.562 3.618 862 HA ASP 113 HA ASP 113 -10.455 -2.197 2.034 863 HB2 ASP 113 1HB ASP 113 -12.928 -1.852 1.633 864 HB3 ASP 113 2HB ASP 113 -12.208 -3.211 0.774 865 H GLN 114 H GLN 114 -9.675 -1.114 3.834 866 HA GLN 114 HA GLN 114 -10.907 -0.943 6.331 867 HB2 GLN 114 1HB GLN 114 -8.560 -0.123 5.466 868 HB3 GLN 114 2HB GLN 114 -9.409 1.399 5.230 869 HG2 GLN 114 1HG GLN 114 -9.135 -0.110 7.819 870 HG3 GLN 114 2HG GLN 114 -8.292 1.371 7.371 871 HE21 GLN 114 1HE2 GLN 114 -9.904 3.137 6.607 872 HE22 GLN 114 2HE2 GLN 114 -11.250 3.396 7.658 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -20.045 -9.368 29.009 2 HA2 GLY 1 1HA GLY 1 -20.760 -12.226 29.183 3 HA3 GLY 1 2HA GLY 1 -21.398 -11.214 27.896 4 H SER 2 H SER 2 -19.899 -13.562 27.471 5 HA SER 2 HA SER 2 -17.697 -12.432 25.929 6 HB2 SER 2 1HB SER 2 -17.367 -14.619 27.989 7 HB3 SER 2 2HB SER 2 -16.194 -14.322 26.706 8 HG SER 2 HG SER 2 -15.477 -13.124 28.376 9 H SER 3 H SER 3 -16.750 -14.107 24.432 10 HA SER 3 HA SER 3 -18.259 -16.456 23.846 11 HB2 SER 3 1HB SER 3 -19.694 -14.490 22.982 12 HB3 SER 3 2HB SER 3 -18.464 -14.324 21.729 13 HG SER 3 HG SER 3 -19.374 -15.927 20.745 14 H GLY 4 H GLY 4 -17.491 -17.503 21.800 15 HA2 GLY 4 1HA GLY 4 -14.690 -17.614 21.746 16 HA3 GLY 4 2HA GLY 4 -15.755 -18.308 20.534 17 H SER 5 H SER 5 -16.681 -16.679 18.951 18 HA SER 5 HA SER 5 -16.026 -15.477 17.088 19 HB2 SER 5 1HB SER 5 -15.653 -13.521 19.367 20 HB3 SER 5 2HB SER 5 -15.748 -13.062 17.667 21 HG SER 5 HG SER 5 -17.836 -14.388 17.835 22 H SER 6 H SER 6 -13.962 -17.092 17.521 23 HA SER 6 HA SER 6 -11.501 -15.709 17.999 24 HB2 SER 6 1HB SER 6 -10.428 -17.783 17.587 25 HB3 SER 6 2HB SER 6 -11.953 -18.200 18.368 26 HG SER 6 HG SER 6 -12.765 -18.446 16.135 27 H GLY 7 H GLY 7 -9.794 -15.402 16.452 28 HA2 GLY 7 1HA GLY 7 -10.854 -14.809 13.765 29 HA3 GLY 7 2HA GLY 7 -9.509 -13.969 14.523 30 H MET 8 H MET 8 -10.502 -16.733 12.696 31 HA MET 8 HA MET 8 -7.680 -17.543 12.446 32 HB2 MET 8 1HB MET 8 -10.169 -19.145 12.728 33 HB3 MET 8 2HB MET 8 -8.922 -19.774 11.660 34 HG2 MET 8 1HG MET 8 -8.254 -18.908 14.441 35 HG3 MET 8 2HG MET 8 -8.947 -20.498 14.129 36 HE1 MET 8 3HE MET 8 -5.044 -20.872 14.860 37 HE2 MET 8 1HE MET 8 -5.581 -19.201 15.035 38 HE3 MET 8 2HE MET 8 -6.584 -20.517 15.643 39 H ALA 9 H ALA 9 -7.287 -16.202 10.674 40 HA ALA 9 HA ALA 9 -7.031 -15.822 8.436 41 HB1 ALA 9 3HB ALA 9 -7.275 -17.554 7.014 42 HB2 ALA 9 1HB ALA 9 -7.551 -18.464 8.499 43 HB3 ALA 9 2HB ALA 9 -8.922 -17.898 7.544 44 H SER 10 H SER 10 -8.928 -14.399 9.914 45 HA SER 10 HA SER 10 -11.204 -14.113 8.080 46 HB2 SER 10 1HB SER 10 -12.263 -12.818 9.897 47 HB3 SER 10 2HB SER 10 -11.798 -14.432 10.435 48 HG SER 10 HG SER 10 -9.893 -13.453 11.325 49 H THR 11 H THR 11 -11.990 -11.787 7.851 50 HA THR 11 HA THR 11 -10.158 -10.286 6.435 51 HB THR 11 HB THR 11 -11.733 -8.352 6.753 52 HG1 THR 11 1HG THR 11 -13.451 -10.150 8.088 53 HG21 THR 11 3HG2 THR 11 -13.748 -10.156 6.019 54 HG22 THR 11 1HG2 THR 11 -12.233 -10.907 5.519 55 HG23 THR 11 2HG2 THR 11 -12.646 -9.291 4.948 56 H PHE 12 H PHE 12 -8.242 -9.724 7.313 57 HA PHE 12 HA PHE 12 -7.747 -9.019 9.959 58 HB2 PHE 12 1HB PHE 12 -6.294 -8.374 7.399 59 HB3 PHE 12 2HB PHE 12 -5.692 -7.848 8.967 60 HD1 PHE 12 2HD PHE 12 -6.497 -10.799 6.909 61 HD2 PHE 12 1HD PHE 12 -4.590 -9.344 10.425 62 HE1 PHE 12 2HE PHE 12 -5.407 -12.983 7.218 63 HE2 PHE 12 1HE PHE 12 -3.497 -11.526 10.739 64 HZ PHE 12 HZ PHE 12 -3.906 -13.349 9.135 65 H ASN 13 H ASN 13 -6.560 -6.678 10.253 66 HA ASN 13 HA ASN 13 -8.588 -4.670 9.518 67 HB2 ASN 13 1HB ASN 13 -8.173 -3.590 11.707 68 HB3 ASN 13 2HB ASN 13 -8.809 -5.223 11.879 69 HD21 ASN 13 1HD2 ASN 13 -6.982 -3.326 13.474 70 HD22 ASN 13 2HD2 ASN 13 -5.684 -4.356 13.964 71 HA PRO 14 HA PRO 14 -4.524 -3.234 7.889 72 HB2 PRO 14 1HB PRO 14 -5.574 -2.147 5.634 73 HB3 PRO 14 2HB PRO 14 -5.139 -3.855 5.764 74 HG2 PRO 14 1HG PRO 14 -7.826 -2.559 6.022 75 HG3 PRO 14 2HG PRO 14 -7.380 -4.051 5.173 76 HD2 PRO 14 1HD PRO 14 -8.531 -4.057 7.624 77 HD3 PRO 14 2HD PRO 14 -7.370 -5.299 7.111 78 H ARG 15 H ARG 15 -3.734 -1.098 7.633 79 HA ARG 15 HA ARG 15 -5.445 0.926 8.890 80 HB2 ARG 15 1HB ARG 15 -3.245 0.407 9.936 81 HB3 ARG 15 2HB ARG 15 -2.452 0.965 8.469 82 HG2 ARG 15 1HG ARG 15 -3.224 3.195 8.811 83 HG3 ARG 15 2HG ARG 15 -4.260 2.686 10.146 84 HD2 ARG 15 1HD ARG 15 -2.443 3.552 11.269 85 HD3 ARG 15 2HD ARG 15 -2.033 1.839 11.191 86 HE ARG 15 HE ARG 15 -0.700 4.014 9.838 87 HH11 ARG 15 1HH1 ARG 15 -1.244 0.578 9.972 88 HH12 ARG 15 2HH1 ARG 15 0.215 0.182 9.126 89 HH21 ARG 15 1HH2 ARG 15 1.224 3.506 8.723 90 HH22 ARG 15 2HH2 ARG 15 1.619 1.849 8.417 91 H GLU 16 H GLU 16 -6.007 2.779 7.882 92 HA GLU 16 HA GLU 16 -5.246 3.029 5.061 93 HB2 GLU 16 1HB GLU 16 -7.679 2.924 5.753 94 HB3 GLU 16 2HB GLU 16 -7.454 4.500 6.498 95 HG2 GLU 16 1HG GLU 16 -6.747 4.088 3.628 96 HG3 GLU 16 2HG GLU 16 -8.426 4.334 4.106 97 H CYS 17 H CYS 17 -4.707 5.099 4.182 98 HA CYS 17 HA CYS 17 -4.004 7.219 6.042 99 HB2 CYS 17 1HB CYS 17 -1.949 5.858 4.289 100 HB3 CYS 17 2HB CYS 17 -1.681 7.360 5.165 101 HG CYS 17 HG CYS 17 -0.649 4.738 6.257 102 H LYS 18 H LYS 18 -4.409 9.150 5.178 103 HA LYS 18 HA LYS 18 -4.910 9.285 2.287 104 HB2 LYS 18 1HB LYS 18 -6.006 10.733 4.655 105 HB3 LYS 18 2HB LYS 18 -5.956 11.579 3.114 106 HG2 LYS 18 1HG LYS 18 -7.287 9.824 2.085 107 HG3 LYS 18 2HG LYS 18 -7.309 8.934 3.609 108 HD2 LYS 18 1HD LYS 18 -8.351 11.042 4.616 109 HD3 LYS 18 2HD LYS 18 -8.621 11.556 2.949 110 HE2 LYS 18 1HE LYS 18 -10.189 9.937 2.560 111 HE3 LYS 18 2HE LYS 18 -9.489 8.823 3.733 112 HZ1 LYS 18 3HZ LYS 18 -10.385 10.153 5.515 113 HZ2 LYS 18 1HZ LYS 18 -11.631 9.718 4.457 114 HZ3 LYS 18 2HZ LYS 18 -10.999 11.286 4.419 115 H LEU 19 H LEU 19 -2.939 9.725 1.404 116 HA LEU 19 HA LEU 19 -1.113 11.611 2.532 117 HB2 LEU 19 1HB LEU 19 -1.252 9.959 0.072 118 HB3 LEU 19 2HB LEU 19 -0.192 11.367 0.046 119 HG LEU 19 HG LEU 19 0.741 10.322 2.264 120 HD11 LEU 19 1HD1 LEU 19 0.722 7.851 2.152 121 HD12 LEU 19 2HD1 LEU 19 -0.490 7.948 0.875 122 HD13 LEU 19 3HD1 LEU 19 -0.864 8.545 2.491 123 HD21 LEU 19 3HD2 LEU 19 2.082 10.669 0.299 124 HD22 LEU 19 1HD2 LEU 19 1.340 9.284 -0.502 125 HD23 LEU 19 2HD2 LEU 19 2.373 9.039 0.906 126 H SER 20 H SER 20 -0.690 13.702 1.946 127 HA SER 20 HA SER 20 -2.435 14.916 -0.087 128 HB2 SER 20 1HB SER 20 -2.813 16.851 1.352 129 HB3 SER 20 2HB SER 20 -3.352 15.383 2.168 130 HG SER 20 HG SER 20 -1.444 15.409 3.375 131 H LYS 21 H LYS 21 -1.377 16.118 -1.522 132 HA LYS 21 HA LYS 21 1.106 17.451 -0.780 133 HB2 LYS 21 1HB LYS 21 2.393 16.516 -2.573 134 HB3 LYS 21 2HB LYS 21 1.719 15.184 -1.644 135 HG2 LYS 21 1HG LYS 21 0.169 14.652 -3.309 136 HG3 LYS 21 2HG LYS 21 0.364 16.211 -4.112 137 HD2 LYS 21 1HD LYS 21 2.807 15.467 -4.477 138 HD3 LYS 21 2HD LYS 21 2.212 13.848 -4.102 139 HE2 LYS 21 1HE LYS 21 2.064 13.961 -6.423 140 HE3 LYS 21 2HE LYS 21 0.423 14.318 -5.886 141 HZ1 LYS 21 3HZ LYS 21 0.996 16.710 -6.098 142 HZ2 LYS 21 1HZ LYS 21 1.012 15.872 -7.568 143 HZ3 LYS 21 2HZ LYS 21 2.468 16.263 -6.801 144 H GLN 22 H GLN 22 1.739 19.114 -2.255 145 HA GLN 22 HA GLN 22 -0.541 20.252 -3.664 146 HB2 GLN 22 1HB GLN 22 2.160 21.367 -2.909 147 HB3 GLN 22 2HB GLN 22 0.988 22.256 -3.872 148 HG2 GLN 22 1HG GLN 22 -0.415 22.600 -2.109 149 HG3 GLN 22 2HG GLN 22 0.103 21.139 -1.269 150 HE21 GLN 22 1HE2 GLN 22 1.454 21.361 0.372 151 HE22 GLN 22 2HE2 GLN 22 2.372 22.778 0.739 152 H GLU 23 H GLU 23 -0.429 21.004 -5.825 153 HA GLU 23 HA GLU 23 0.604 19.240 -7.680 154 HB2 GLU 23 1HB GLU 23 0.132 20.932 -9.370 155 HB3 GLU 23 2HB GLU 23 -1.163 20.871 -8.183 156 HG2 GLU 23 1HG GLU 23 1.071 22.869 -8.034 157 HG3 GLU 23 2HG GLU 23 -0.415 23.162 -8.935 158 H GLY 24 H GLY 24 2.505 18.965 -8.701 159 HA2 GLY 24 1HA GLY 24 4.606 19.567 -9.553 160 HA3 GLY 24 2HA GLY 24 4.512 21.076 -8.657 161 H GLN 25 H GLN 25 3.822 19.722 -6.144 162 HA GLN 25 HA GLN 25 6.532 19.083 -5.341 163 HB2 GLN 25 1HB GLN 25 4.885 20.557 -4.039 164 HB3 GLN 25 2HB GLN 25 4.101 19.056 -3.564 165 HG2 GLN 25 1HG GLN 25 5.549 19.612 -1.804 166 HG3 GLN 25 2HG GLN 25 6.343 18.307 -2.685 167 HE21 GLN 25 1HE2 GLN 25 7.991 19.570 -1.169 168 HE22 GLN 25 2HE2 GLN 25 8.972 20.708 -2.021 169 H ASN 26 H ASN 26 7.169 17.162 -4.311 170 HA ASN 26 HA ASN 26 5.666 14.823 -5.189 171 HB2 ASN 26 1HB ASN 26 8.265 15.268 -5.406 172 HB3 ASN 26 2HB ASN 26 8.289 14.612 -3.772 173 HD21 ASN 26 1HD2 ASN 26 8.658 12.530 -3.678 174 HD22 ASN 26 2HD2 ASN 26 8.231 11.359 -4.873 175 H TYR 27 H TYR 27 5.539 12.939 -3.691 176 HA TYR 27 HA TYR 27 4.302 13.748 -1.243 177 HB2 TYR 27 1HB TYR 27 4.778 11.137 -2.627 178 HB3 TYR 27 2HB TYR 27 4.299 11.134 -0.933 179 HD1 TYR 27 2HD TYR 27 2.297 13.049 -0.577 180 HD2 TYR 27 1HD TYR 27 3.025 10.696 -4.046 181 HE1 TYR 27 2HE TYR 27 -0.058 13.306 -1.238 182 HE2 TYR 27 1HE TYR 27 0.672 10.947 -4.718 183 HH TYR 27 HH TYR 27 -1.720 12.060 -2.650 184 H GLY 28 H GLY 28 7.220 11.868 -2.036 185 HA2 GLY 28 1HA GLY 28 9.219 12.469 -0.679 186 HA3 GLY 28 2HA GLY 28 8.159 12.383 0.720 187 H PHE 29 H PHE 29 6.905 9.987 -0.857 188 HA PHE 29 HA PHE 29 8.827 8.019 0.188 189 HB2 PHE 29 1HB PHE 29 7.081 6.676 0.852 190 HB3 PHE 29 2HB PHE 29 6.332 8.259 1.028 191 HD1 PHE 29 1HD PHE 29 4.754 9.073 -0.699 192 HD2 PHE 29 2HD PHE 29 6.286 5.102 -0.725 193 HE1 PHE 29 1HE PHE 29 2.948 8.390 -2.224 194 HE2 PHE 29 2HE PHE 29 4.484 4.413 -2.251 195 HZ PHE 29 HZ PHE 29 2.812 6.057 -3.003 196 H PHE 30 H PHE 30 9.067 6.008 -0.975 197 HA PHE 30 HA PHE 30 8.354 6.156 -3.821 198 HB2 PHE 30 1HB PHE 30 11.081 5.687 -2.635 199 HB3 PHE 30 2HB PHE 30 10.671 5.118 -4.250 200 HD1 PHE 30 1HD PHE 30 9.434 7.037 -5.702 201 HD2 PHE 30 2HD PHE 30 12.191 7.679 -2.523 202 HE1 PHE 30 1HE PHE 30 9.972 9.256 -6.621 203 HE2 PHE 30 2HE PHE 30 12.731 9.899 -3.436 204 HZ PHE 30 HZ PHE 30 11.621 10.691 -5.487 205 H LEU 31 H LEU 31 8.176 4.144 -4.890 206 HA LEU 31 HA LEU 31 7.530 1.948 -3.081 207 HB2 LEU 31 1HB LEU 31 6.978 2.404 -6.005 208 HB3 LEU 31 2HB LEU 31 6.555 0.921 -5.152 209 HG LEU 31 HG LEU 31 5.515 3.597 -4.269 210 HD11 LEU 31 1HD1 LEU 31 5.027 2.923 -6.744 211 HD12 LEU 31 2HD1 LEU 31 3.727 3.511 -5.708 212 HD13 LEU 31 3HD1 LEU 31 3.906 1.781 -6.003 213 HD21 LEU 31 3HD2 LEU 31 4.852 0.725 -3.753 214 HD22 LEU 31 1HD2 LEU 31 3.629 1.979 -3.546 215 HD23 LEU 31 2HD2 LEU 31 5.118 2.037 -2.603 216 H ARG 32 H ARG 32 8.784 0.219 -2.832 217 HA ARG 32 HA ARG 32 10.662 -0.523 -4.949 218 HB2 ARG 32 1HB ARG 32 11.409 -0.001 -2.070 219 HB3 ARG 32 2HB ARG 32 12.434 -0.887 -3.192 220 HG2 ARG 32 1HG ARG 32 11.478 1.830 -3.946 221 HG3 ARG 32 2HG ARG 32 12.792 1.667 -2.780 222 HD2 ARG 32 1HD ARG 32 13.928 0.165 -4.465 223 HD3 ARG 32 2HD ARG 32 12.702 0.681 -5.621 224 HE ARG 32 HE ARG 32 14.008 2.894 -4.384 225 HH11 ARG 32 1HH1 ARG 32 14.323 0.486 -6.878 226 HH12 ARG 32 2HH1 ARG 32 15.396 1.442 -7.847 227 HH21 ARG 32 1HH2 ARG 32 15.420 4.162 -5.650 228 HH22 ARG 32 2HH2 ARG 32 16.019 3.533 -7.147 229 H ILE 33 H ILE 33 10.971 -2.688 -5.162 230 HA ILE 33 HA ILE 33 9.366 -4.403 -3.408 231 HB ILE 33 HB ILE 33 9.990 -6.115 -5.307 232 HG12 ILE 33 1HG1 ILE 33 10.191 -3.477 -6.773 233 HG13 ILE 33 2HG1 ILE 33 11.566 -4.511 -6.401 234 HG21 ILE 33 1HG2 ILE 33 7.899 -5.755 -6.226 235 HG22 ILE 33 2HG2 ILE 33 7.753 -4.978 -4.651 236 HG23 ILE 33 3HG2 ILE 33 8.028 -4.001 -6.093 237 HD11 ILE 33 3HD1 ILE 33 10.924 -4.883 -8.664 238 HD12 ILE 33 1HD1 ILE 33 10.484 -6.311 -7.727 239 HD13 ILE 33 2HD1 ILE 33 9.244 -5.149 -8.199 240 H GLU 34 H GLU 34 10.212 -6.463 -2.720 241 HA GLU 34 HA GLU 34 13.150 -6.480 -2.479 242 HB2 GLU 34 1HB GLU 34 11.906 -5.924 -0.359 243 HB3 GLU 34 2HB GLU 34 11.207 -7.536 -0.423 244 HG2 GLU 34 1HG GLU 34 12.998 -7.726 1.053 245 HG3 GLU 34 2HG GLU 34 13.599 -8.399 -0.461 246 H LYS 35 H LYS 35 14.144 -8.240 -3.210 247 HA LYS 35 HA LYS 35 12.948 -10.234 -4.667 248 HB2 LYS 35 1HB LYS 35 15.567 -10.073 -3.221 249 HB3 LYS 35 2HB LYS 35 15.095 -11.580 -3.996 250 HG2 LYS 35 1HG LYS 35 16.269 -10.617 -5.689 251 HG3 LYS 35 2HG LYS 35 14.658 -9.994 -6.052 252 HD2 LYS 35 1HD LYS 35 15.167 -7.870 -5.312 253 HD3 LYS 35 2HD LYS 35 16.454 -8.438 -4.245 254 HE2 LYS 35 1HE LYS 35 16.666 -8.638 -7.234 255 HE3 LYS 35 2HE LYS 35 17.131 -7.175 -6.367 256 HZ1 LYS 35 3HZ LYS 35 18.244 -9.872 -5.816 257 HZ2 LYS 35 1HZ LYS 35 18.753 -8.408 -5.138 258 HZ3 LYS 35 2HZ LYS 35 18.998 -8.707 -6.784 259 H ASP 36 H ASP 36 11.953 -12.124 -4.262 260 HA ASP 36 HA ASP 36 10.896 -13.785 -3.124 261 HB2 ASP 36 1HB ASP 36 13.338 -14.268 -2.548 262 HB3 ASP 36 2HB ASP 36 13.015 -13.497 -0.998 263 H THR 37 H THR 37 9.934 -11.193 -2.713 264 HA THR 37 HA THR 37 8.751 -11.508 -0.053 265 HB THR 37 HB THR 37 9.707 -8.819 -1.042 266 HG1 THR 37 1HG THR 37 10.976 -10.796 0.495 267 HG21 THR 37 3HG2 THR 37 8.217 -9.803 1.317 268 HG22 THR 37 1HG2 THR 37 8.136 -8.246 0.494 269 HG23 THR 37 2HG2 THR 37 9.451 -8.580 1.621 270 H ASP 38 H ASP 38 6.679 -10.589 0.178 271 HA ASP 38 HA ASP 38 5.352 -10.032 -2.387 272 HB2 ASP 38 1HB ASP 38 4.347 -11.190 0.207 273 HB3 ASP 38 2HB ASP 38 3.246 -10.585 -1.027 274 H GLY 39 H GLY 39 3.908 -8.304 -2.587 275 HA2 GLY 39 1HA GLY 39 2.850 -6.319 -1.981 276 HA3 GLY 39 2HA GLY 39 3.520 -6.485 -0.365 277 H HIS 40 H HIS 40 3.432 -4.063 -1.804 278 HA HIS 40 HA HIS 40 6.134 -3.604 -2.784 279 HB2 HIS 40 1HB HIS 40 3.635 -1.928 -2.693 280 HB3 HIS 40 2HB HIS 40 5.198 -1.224 -3.093 281 HD1 HIS 40 1HD HIS 40 6.343 -2.113 -5.311 282 HD2 HIS 40 2HD HIS 40 2.403 -3.298 -4.735 283 HE1 HIS 40 1HE HIS 40 5.559 -2.950 -7.549 284 HE2 HIS 40 2HE HIS 40 3.146 -3.582 -7.196 285 H LEU 41 H LEU 41 7.624 -3.412 -1.229 286 HA LEU 41 HA LEU 41 7.030 -2.300 1.349 287 HB2 LEU 41 1HB LEU 41 9.510 -3.313 0.011 288 HB3 LEU 41 2HB LEU 41 9.598 -2.473 1.558 289 HG LEU 41 HG LEU 41 7.795 -4.301 2.228 290 HD11 LEU 41 1HD1 LEU 41 8.542 -5.136 -0.353 291 HD12 LEU 41 2HD1 LEU 41 7.536 -5.988 0.817 292 HD13 LEU 41 3HD1 LEU 41 9.277 -6.269 0.782 293 HD21 LEU 41 3HD2 LEU 41 10.730 -4.957 2.037 294 HD22 LEU 41 1HD2 LEU 41 9.568 -5.577 3.210 295 HD23 LEU 41 2HD2 LEU 41 10.030 -3.875 3.242 296 H ILE 42 H ILE 42 7.061 -0.228 1.893 297 HA ILE 42 HA ILE 42 8.036 1.749 0.017 298 HB ILE 42 HB ILE 42 6.664 2.023 2.690 299 HG12 ILE 42 1HG1 ILE 42 5.566 2.937 0.059 300 HG13 ILE 42 2HG1 ILE 42 5.492 1.227 0.473 301 HG21 ILE 42 1HG2 ILE 42 6.425 4.463 1.570 302 HG22 ILE 42 2HG2 ILE 42 7.681 4.033 2.730 303 HG23 ILE 42 3HG2 ILE 42 8.031 4.010 1.002 304 HD11 ILE 42 3HD1 ILE 42 4.572 2.771 2.688 305 HD12 ILE 42 1HD1 ILE 42 3.725 3.274 1.225 306 HD13 ILE 42 2HD1 ILE 42 3.704 1.581 1.718 307 H ARG 43 H ARG 43 9.695 3.202 0.359 308 HA ARG 43 HA ARG 43 11.186 3.276 2.804 309 HB2 ARG 43 1HB ARG 43 11.890 1.151 1.390 310 HB3 ARG 43 2HB ARG 43 12.828 2.339 0.495 311 HG2 ARG 43 1HG ARG 43 14.003 2.983 2.505 312 HG3 ARG 43 2HG ARG 43 13.005 1.890 3.466 313 HD2 ARG 43 1HD ARG 43 15.104 0.817 3.060 314 HD3 ARG 43 2HD ARG 43 13.875 0.001 2.095 315 HE ARG 43 HE ARG 43 15.180 2.052 0.615 316 HH11 ARG 43 1HH1 ARG 43 15.544 -1.210 1.777 317 HH12 ARG 43 2HH1 ARG 43 16.635 -1.676 0.515 318 HH21 ARG 43 1HH2 ARG 43 16.616 1.450 -1.052 319 HH22 ARG 43 2HH2 ARG 43 17.245 -0.162 -1.093 320 H VAL 44 H VAL 44 13.159 4.691 2.564 321 HA VAL 44 HA VAL 44 14.208 6.588 1.838 322 HB VAL 44 HB VAL 44 12.559 6.489 -0.680 323 HG11 VAL 44 1HG1 VAL 44 14.086 7.931 -1.585 324 HG12 VAL 44 2HG1 VAL 44 14.141 8.449 0.101 325 HG13 VAL 44 3HG1 VAL 44 15.393 7.381 -0.536 326 HG21 VAL 44 3HG2 VAL 44 13.591 4.290 -0.317 327 HG22 VAL 44 1HG2 VAL 44 14.306 5.134 -1.691 328 HG23 VAL 44 2HG2 VAL 44 15.167 5.065 -0.153 329 H ILE 45 H ILE 45 12.030 6.776 3.519 330 HA ILE 45 HA ILE 45 10.230 8.816 2.540 331 HB ILE 45 HB ILE 45 10.559 7.580 5.274 332 HG12 ILE 45 1HG1 ILE 45 8.278 7.330 3.309 333 HG13 ILE 45 2HG1 ILE 45 9.617 6.190 3.379 334 HG21 ILE 45 1HG2 ILE 45 9.592 9.480 5.990 335 HG22 ILE 45 2HG2 ILE 45 9.034 9.926 4.379 336 HG23 ILE 45 3HG2 ILE 45 8.124 8.757 5.335 337 HD11 ILE 45 3HD1 ILE 45 7.468 5.582 4.599 338 HD12 ILE 45 1HD1 ILE 45 8.985 5.403 5.480 339 HD13 ILE 45 2HD1 ILE 45 7.944 6.794 5.787 340 H GLU 46 H GLU 46 11.183 10.745 2.200 341 HA GLU 46 HA GLU 46 13.331 11.805 3.658 342 HB2 GLU 46 1HB GLU 46 11.314 12.921 1.763 343 HB3 GLU 46 2HB GLU 46 12.292 14.045 2.696 344 HG2 GLU 46 1HG GLU 46 14.317 12.833 1.836 345 HG3 GLU 46 2HG GLU 46 13.238 11.966 0.745 346 H GLU 47 H GLU 47 13.462 13.250 5.345 347 HA GLU 47 HA GLU 47 11.341 13.171 7.251 348 HB2 GLU 47 1HB GLU 47 13.929 13.343 7.605 349 HB3 GLU 47 2HB GLU 47 13.647 15.072 7.461 350 HG2 GLU 47 1HG GLU 47 12.092 14.993 9.325 351 HG3 GLU 47 2HG GLU 47 12.318 13.250 9.455 352 H GLY 48 H GLY 48 9.894 14.720 7.846 353 HA2 GLY 48 1HA GLY 48 8.728 16.713 7.814 354 HA3 GLY 48 2HA GLY 48 10.074 17.435 6.944 355 H SER 49 H SER 49 8.704 14.553 5.649 356 HA SER 49 HA SER 49 7.580 16.126 3.442 357 HB2 SER 49 1HB SER 49 8.073 14.377 2.020 358 HB3 SER 49 2HB SER 49 9.342 14.159 3.224 359 HG SER 49 HG SER 49 8.449 12.350 3.831 360 HA PRO 50 HA PRO 50 3.427 15.071 4.388 361 HB2 PRO 50 1HB PRO 50 2.355 14.844 1.904 362 HB3 PRO 50 2HB PRO 50 2.811 16.397 2.615 363 HG2 PRO 50 1HG PRO 50 4.307 14.699 0.655 364 HG3 PRO 50 2HG PRO 50 4.076 16.457 0.665 365 HD2 PRO 50 1HD PRO 50 6.357 15.283 1.530 366 HD3 PRO 50 2HD PRO 50 5.738 16.793 2.227 367 H ALA 51 H ALA 51 5.466 12.908 2.731 368 HA ALA 51 HA ALA 51 3.567 10.796 2.334 369 HB1 ALA 51 3HB ALA 51 5.197 10.116 0.991 370 HB2 ALA 51 1HB ALA 51 6.312 11.296 1.682 371 HB3 ALA 51 2HB ALA 51 6.151 9.699 2.415 372 H GLU 52 H GLU 52 5.806 11.734 4.864 373 HA GLU 52 HA GLU 52 5.427 9.278 6.345 374 HB2 GLU 52 1HB GLU 52 7.588 10.469 6.395 375 HB3 GLU 52 2HB GLU 52 6.802 11.847 7.153 376 HG2 GLU 52 1HG GLU 52 6.277 10.514 9.103 377 HG3 GLU 52 2HG GLU 52 6.974 9.086 8.340 378 H LYS 53 H LYS 53 4.401 12.653 6.568 379 HA LYS 53 HA LYS 53 3.160 12.653 9.031 380 HB2 LYS 53 1HB LYS 53 2.307 14.049 6.489 381 HB3 LYS 53 2HB LYS 53 1.664 14.416 8.084 382 HG2 LYS 53 1HG LYS 53 3.872 15.092 8.841 383 HG3 LYS 53 2HG LYS 53 4.551 14.677 7.265 384 HD2 LYS 53 1HD LYS 53 4.246 16.985 7.138 385 HD3 LYS 53 2HD LYS 53 2.821 16.336 6.322 386 HE2 LYS 53 1HE LYS 53 1.817 17.862 7.690 387 HE3 LYS 53 2HE LYS 53 1.807 16.459 8.757 388 HZ1 LYS 53 3HZ LYS 53 3.953 18.505 8.780 389 HZ2 LYS 53 1HZ LYS 53 3.689 17.277 9.913 390 HZ3 LYS 53 2HZ LYS 53 2.600 18.566 9.794 391 H ALA 54 H ALA 54 2.314 10.874 6.254 392 HA ALA 54 HA ALA 54 -0.472 10.538 6.999 393 HB1 ALA 54 3HB ALA 54 1.168 9.968 4.655 394 HB2 ALA 54 1HB ALA 54 0.018 8.687 5.039 395 HB3 ALA 54 2HB ALA 54 -0.553 10.335 4.775 396 H GLY 55 H GLY 55 1.800 9.626 8.745 397 HA2 GLY 55 1HA GLY 55 2.170 7.880 10.190 398 HA3 GLY 55 2HA GLY 55 0.627 7.226 9.660 399 H LEU 56 H LEU 56 2.599 7.712 7.012 400 HA LEU 56 HA LEU 56 2.982 4.879 6.670 401 HB2 LEU 56 1HB LEU 56 2.458 6.781 4.917 402 HB3 LEU 56 2HB LEU 56 4.216 6.884 4.849 403 HG LEU 56 HG LEU 56 4.215 4.414 4.306 404 HD11 LEU 56 1HD1 LEU 56 2.086 3.578 3.306 405 HD12 LEU 56 2HD1 LEU 56 1.270 4.972 4.014 406 HD13 LEU 56 3HD1 LEU 56 2.042 3.778 5.058 407 HD21 LEU 56 3HD2 LEU 56 4.559 5.185 2.256 408 HD22 LEU 56 1HD2 LEU 56 3.741 6.690 2.680 409 HD23 LEU 56 2HD2 LEU 56 2.818 5.342 2.013 410 H LEU 57 H LEU 57 4.822 3.729 6.871 411 HA LEU 57 HA LEU 57 7.335 5.168 7.350 412 HB2 LEU 57 1HB LEU 57 5.977 3.203 9.131 413 HB3 LEU 57 2HB LEU 57 7.738 3.212 9.061 414 HG LEU 57 HG LEU 57 7.380 5.794 9.536 415 HD11 LEU 57 1HD1 LEU 57 4.955 5.721 9.467 416 HD12 LEU 57 2HD1 LEU 57 5.514 6.137 11.087 417 HD13 LEU 57 3HD1 LEU 57 4.937 4.506 10.746 418 HD21 LEU 57 3HD2 LEU 57 8.619 4.999 11.210 419 HD22 LEU 57 1HD2 LEU 57 7.807 3.434 11.174 420 HD23 LEU 57 2HD2 LEU 57 7.105 4.771 12.086 421 H ASP 58 H ASP 58 9.239 3.956 6.905 422 HA ASP 58 HA ASP 58 9.101 2.350 4.619 423 HB2 ASP 58 1HB ASP 58 11.444 2.117 4.793 424 HB3 ASP 58 2HB ASP 58 11.092 3.688 5.507 425 H GLY 59 H GLY 59 8.945 0.204 4.278 426 HA2 GLY 59 1HA GLY 59 9.319 -2.080 4.918 427 HA3 GLY 59 2HA GLY 59 9.155 -1.594 6.599 428 H ASP 60 H ASP 60 6.829 -0.059 4.764 429 HA ASP 60 HA ASP 60 4.788 -1.913 5.735 430 HB2 ASP 60 1HB ASP 60 4.615 0.908 4.661 431 HB3 ASP 60 2HB ASP 60 3.210 -0.055 5.111 432 H ARG 61 H ARG 61 3.212 -2.822 4.414 433 HA ARG 61 HA ARG 61 3.897 -2.865 1.551 434 HB2 ARG 61 1HB ARG 61 2.717 -4.933 3.385 435 HB3 ARG 61 2HB ARG 61 2.499 -5.045 1.644 436 HG2 ARG 61 1HG ARG 61 4.364 -6.324 1.894 437 HG3 ARG 61 2HG ARG 61 5.114 -4.747 1.635 438 HD2 ARG 61 1HD ARG 61 5.506 -4.458 3.959 439 HD3 ARG 61 2HD ARG 61 4.489 -5.839 4.368 440 HE ARG 61 HE ARG 61 6.548 -6.769 2.744 441 HH11 ARG 61 1HH1 ARG 61 6.150 -5.325 5.887 442 HH12 ARG 61 2HH1 ARG 61 7.546 -6.099 6.563 443 HH21 ARG 61 1HH2 ARG 61 8.387 -7.794 3.623 444 HH22 ARG 61 2HH2 ARG 61 8.817 -7.502 5.274 445 H VAL 62 H VAL 62 2.520 -1.944 0.191 446 HA VAL 62 HA VAL 62 -0.075 -1.060 1.133 447 HB VAL 62 HB VAL 62 1.024 0.581 -0.137 448 HG11 VAL 62 1HG1 VAL 62 1.605 -0.170 -2.641 449 HG12 VAL 62 2HG1 VAL 62 2.758 -0.285 -1.310 450 HG13 VAL 62 3HG1 VAL 62 1.848 -1.709 -1.815 451 HG21 VAL 62 3HG2 VAL 62 -0.510 1.078 -1.819 452 HG22 VAL 62 1HG2 VAL 62 -0.729 -0.617 -2.252 453 HG23 VAL 62 2HG2 VAL 62 -1.413 0.005 -0.750 454 H LEU 63 H LEU 63 -1.861 -2.220 0.911 455 HA LEU 63 HA LEU 63 -1.905 -4.571 -0.757 456 HB2 LEU 63 1HB LEU 63 -4.111 -3.337 0.884 457 HB3 LEU 63 2HB LEU 63 -4.112 -4.953 0.182 458 HG LEU 63 HG LEU 63 -1.993 -4.196 2.151 459 HD11 LEU 63 1HD1 LEU 63 -3.571 -5.210 3.888 460 HD12 LEU 63 2HD1 LEU 63 -4.863 -4.832 2.749 461 HD13 LEU 63 3HD1 LEU 63 -3.855 -3.539 3.399 462 HD21 LEU 63 3HD2 LEU 63 -2.144 -6.596 2.671 463 HD22 LEU 63 1HD2 LEU 63 -1.774 -6.301 0.972 464 HD23 LEU 63 2HD2 LEU 63 -3.406 -6.768 1.450 465 H ARG 64 H ARG 64 -3.873 -1.603 -0.562 466 HA ARG 64 HA ARG 64 -4.405 -1.884 -3.443 467 HB2 ARG 64 1HB ARG 64 -6.381 -0.956 -1.350 468 HB3 ARG 64 2HB ARG 64 -6.675 -1.030 -3.082 469 HG2 ARG 64 1HG ARG 64 -6.004 -3.566 -2.711 470 HG3 ARG 64 2HG ARG 64 -6.568 -3.208 -1.077 471 HD2 ARG 64 1HD ARG 64 -8.716 -2.544 -1.892 472 HD3 ARG 64 2HD ARG 64 -8.164 -2.628 -3.565 473 HE ARG 64 HE ARG 64 -8.007 -5.108 -2.083 474 HH11 ARG 64 1HH1 ARG 64 -9.892 -3.092 -4.205 475 HH12 ARG 64 2HH1 ARG 64 -10.867 -4.398 -4.793 476 HH21 ARG 64 1HH2 ARG 64 -9.284 -6.836 -2.849 477 HH22 ARG 64 2HH2 ARG 64 -10.521 -6.527 -4.020 478 H ILE 65 H ILE 65 -4.412 -0.012 -4.644 479 HA ILE 65 HA ILE 65 -3.555 2.419 -3.214 480 HB ILE 65 HB ILE 65 -1.987 1.211 -4.931 481 HG12 ILE 65 1HG1 ILE 65 -1.738 3.489 -3.792 482 HG13 ILE 65 2HG1 ILE 65 -0.867 3.258 -5.304 483 HG21 ILE 65 1HG2 ILE 65 -3.793 1.176 -6.677 484 HG22 ILE 65 2HG2 ILE 65 -3.592 2.921 -6.816 485 HG23 ILE 65 3HG2 ILE 65 -2.250 1.846 -7.207 486 HD11 ILE 65 3HD1 ILE 65 -2.310 4.640 -6.486 487 HD12 ILE 65 1HD1 ILE 65 -3.576 4.524 -5.264 488 HD13 ILE 65 2HD1 ILE 65 -2.117 5.459 -4.936 489 H ASN 66 H ASN 66 -4.906 4.082 -3.273 490 HA ASN 66 HA ASN 66 -6.750 5.337 -3.760 491 HB2 ASN 66 1HB ASN 66 -5.052 5.807 -5.651 492 HB3 ASN 66 2HB ASN 66 -6.118 4.833 -6.659 493 HD21 ASN 66 1HD2 ASN 66 -5.843 7.754 -4.768 494 HD22 ASN 66 2HD2 ASN 66 -7.184 8.576 -5.484 495 H GLY 67 H GLY 67 -7.223 2.492 -3.452 496 HA2 GLY 67 1HA GLY 67 -9.169 1.229 -3.500 497 HA3 GLY 67 2HA GLY 67 -9.874 2.412 -4.592 498 H VAL 68 H VAL 68 -6.930 0.441 -4.888 499 HA VAL 68 HA VAL 68 -8.138 -1.178 -6.967 500 HB VAL 68 HB VAL 68 -5.804 0.636 -7.592 501 HG11 VAL 68 1HG1 VAL 68 -7.001 -1.697 -9.035 502 HG12 VAL 68 2HG1 VAL 68 -6.226 -0.390 -9.933 503 HG13 VAL 68 3HG1 VAL 68 -5.304 -1.313 -8.745 504 HG21 VAL 68 3HG2 VAL 68 -7.358 1.494 -9.360 505 HG22 VAL 68 1HG2 VAL 68 -8.647 0.573 -8.586 506 HG23 VAL 68 2HG2 VAL 68 -7.843 1.873 -7.708 507 H PHE 69 H PHE 69 -7.457 -3.182 -6.646 508 HA PHE 69 HA PHE 69 -5.406 -3.863 -4.849 509 HB2 PHE 69 1HB PHE 69 -7.388 -5.292 -5.581 510 HB3 PHE 69 2HB PHE 69 -6.453 -5.671 -7.024 511 HD1 PHE 69 2HD PHE 69 -5.751 -5.485 -3.359 512 HD2 PHE 69 1HD PHE 69 -5.489 -7.741 -6.959 513 HE1 PHE 69 2HE PHE 69 -4.613 -7.293 -2.139 514 HE2 PHE 69 1HE PHE 69 -4.351 -9.554 -5.744 515 HZ PHE 69 HZ PHE 69 -3.910 -9.330 -3.332 516 H VAL 70 H VAL 70 -3.337 -3.364 -5.185 517 HA VAL 70 HA VAL 70 -2.186 -3.921 -7.843 518 HB VAL 70 HB VAL 70 -0.468 -2.225 -7.336 519 HG11 VAL 70 1HG1 VAL 70 -3.219 -1.773 -7.931 520 HG12 VAL 70 2HG1 VAL 70 -2.605 -0.410 -6.993 521 HG13 VAL 70 3HG1 VAL 70 -1.804 -0.882 -8.492 522 HG21 VAL 70 3HG2 VAL 70 -1.965 -2.101 -4.772 523 HG22 VAL 70 1HG2 VAL 70 -0.233 -1.982 -5.078 524 HG23 VAL 70 2HG2 VAL 70 -1.283 -0.605 -5.408 525 H ASP 71 H ASP 71 -2.394 -6.000 -6.076 526 HA ASP 71 HA ASP 71 0.034 -6.270 -4.544 527 HB2 ASP 71 1HB ASP 71 -2.112 -7.311 -3.835 528 HB3 ASP 71 2HB ASP 71 -2.028 -8.371 -5.239 529 H LYS 72 H LYS 72 -1.250 -7.507 -7.592 530 HA LYS 72 HA LYS 72 1.267 -8.906 -8.112 531 HB2 LYS 72 1HB LYS 72 -0.786 -10.161 -8.521 532 HB3 LYS 72 2HB LYS 72 -1.353 -8.912 -9.622 533 HG2 LYS 72 1HG LYS 72 -0.554 -10.477 -11.090 534 HG3 LYS 72 2HG LYS 72 0.858 -9.435 -10.903 535 HD2 LYS 72 1HD LYS 72 1.839 -11.479 -10.603 536 HD3 LYS 72 2HD LYS 72 1.397 -11.112 -8.934 537 HE2 LYS 72 1HE LYS 72 0.640 -13.286 -9.194 538 HE3 LYS 72 2HE LYS 72 -0.810 -12.334 -9.503 539 HZ1 LYS 72 3HZ LYS 72 -0.959 -13.404 -11.423 540 HZ2 LYS 72 1HZ LYS 72 0.560 -14.124 -11.230 541 HZ3 LYS 72 2HZ LYS 72 0.433 -12.596 -11.943 542 H GLU 73 H GLU 73 -0.522 -6.093 -9.031 543 HA GLU 73 HA GLU 73 0.385 -5.492 -11.542 544 HB2 GLU 73 1HB GLU 73 -0.099 -3.702 -9.168 545 HB3 GLU 73 2HB GLU 73 0.331 -3.060 -10.748 546 HG2 GLU 73 1HG GLU 73 -1.684 -4.539 -11.544 547 HG3 GLU 73 2HG GLU 73 -2.173 -4.391 -9.857 548 H GLU 74 H GLU 74 2.070 -3.917 -12.214 549 HA GLU 74 HA GLU 74 4.609 -4.656 -10.994 550 HB2 GLU 74 1HB GLU 74 4.093 -4.695 -13.521 551 HB3 GLU 74 2HB GLU 74 4.276 -2.948 -13.447 552 HG2 GLU 74 1HG GLU 74 6.390 -3.540 -14.030 553 HG3 GLU 74 2HG GLU 74 6.545 -3.564 -12.274 554 H HIS 75 H HIS 75 6.098 -3.208 -10.176 555 HA HIS 75 HA HIS 75 5.279 -1.098 -8.662 556 HB2 HIS 75 1HB HIS 75 7.445 -1.718 -8.185 557 HB3 HIS 75 2HB HIS 75 7.903 -1.823 -9.882 558 HD1 HIS 75 1HD HIS 75 6.986 0.918 -7.401 559 HD2 HIS 75 2HD HIS 75 9.462 0.236 -10.667 560 HE1 HIS 75 1HE HIS 75 8.339 3.020 -7.670 561 HE2 HIS 75 2HE HIS 75 9.769 2.617 -9.703 562 H ALA 76 H ALA 76 6.273 -1.008 -12.048 563 HA ALA 76 HA ALA 76 6.231 1.803 -12.339 564 HB1 ALA 76 3HB ALA 76 5.685 -0.164 -14.546 565 HB2 ALA 76 1HB ALA 76 6.424 1.434 -14.659 566 HB3 ALA 76 2HB ALA 76 7.300 0.110 -13.891 567 H GLN 77 H GLN 77 3.748 -0.658 -12.529 568 HA GLN 77 HA GLN 77 1.769 0.968 -13.764 569 HB2 GLN 77 1HB GLN 77 1.630 -1.588 -12.173 570 HB3 GLN 77 2HB GLN 77 0.194 -0.803 -12.817 571 HG2 GLN 77 1HG GLN 77 2.532 -1.746 -14.461 572 HG3 GLN 77 2HG GLN 77 1.018 -2.623 -14.245 573 HE21 GLN 77 1HE2 GLN 77 -0.870 -1.817 -15.192 574 HE22 GLN 77 2HE2 GLN 77 -0.820 -0.672 -16.485 575 H VAL 78 H VAL 78 2.400 0.049 -10.390 576 HA VAL 78 HA VAL 78 0.241 1.453 -9.258 577 HB VAL 78 HB VAL 78 2.884 0.929 -7.901 578 HG11 VAL 78 1HG1 VAL 78 1.671 2.194 -6.418 579 HG12 VAL 78 2HG1 VAL 78 0.120 1.580 -6.994 580 HG13 VAL 78 3HG1 VAL 78 1.145 0.571 -5.973 581 HG21 VAL 78 3HG2 VAL 78 1.235 -1.126 -7.162 582 HG22 VAL 78 1HG2 VAL 78 0.855 -0.937 -8.874 583 HG23 VAL 78 2HG2 VAL 78 2.518 -1.233 -8.367 584 H VAL 79 H VAL 79 3.698 2.345 -9.191 585 HA VAL 79 HA VAL 79 3.568 4.844 -8.149 586 HB VAL 79 HB VAL 79 5.634 3.613 -8.982 587 HG11 VAL 79 1HG1 VAL 79 5.444 5.181 -11.494 588 HG12 VAL 79 2HG1 VAL 79 6.275 3.659 -11.166 589 HG13 VAL 79 3HG1 VAL 79 4.526 3.678 -11.397 590 HG21 VAL 79 3HG2 VAL 79 5.520 6.543 -9.678 591 HG22 VAL 79 1HG2 VAL 79 5.579 5.928 -8.026 592 HG23 VAL 79 2HG2 VAL 79 6.919 5.619 -9.130 593 H GLU 80 H GLU 80 2.602 3.877 -11.373 594 HA GLU 80 HA GLU 80 2.297 6.549 -12.366 595 HB2 GLU 80 1HB GLU 80 2.712 4.504 -13.785 596 HB3 GLU 80 2HB GLU 80 1.049 4.029 -13.466 597 HG2 GLU 80 1HG GLU 80 0.769 5.087 -15.453 598 HG3 GLU 80 2HG GLU 80 0.545 6.453 -14.362 599 H LEU 81 H LEU 81 0.219 4.169 -10.841 600 HA LEU 81 HA LEU 81 -2.240 5.485 -11.366 601 HB2 LEU 81 1HB LEU 81 -1.348 3.376 -9.442 602 HB3 LEU 81 2HB LEU 81 -2.954 4.087 -9.296 603 HG LEU 81 HG LEU 81 -2.024 2.846 -11.867 604 HD11 LEU 81 1HD1 LEU 81 -3.013 0.752 -11.191 605 HD12 LEU 81 2HD1 LEU 81 -3.428 1.420 -9.612 606 HD13 LEU 81 3HD1 LEU 81 -1.736 1.194 -10.057 607 HD21 LEU 81 3HD2 LEU 81 -4.545 3.874 -10.727 608 HD22 LEU 81 1HD2 LEU 81 -4.664 2.390 -11.673 609 HD23 LEU 81 2HD2 LEU 81 -3.979 3.845 -12.398 610 H VAL 82 H VAL 82 -0.088 5.436 -8.537 611 HA VAL 82 HA VAL 82 -1.623 7.129 -6.907 612 HB VAL 82 HB VAL 82 1.388 6.907 -6.881 613 HG11 VAL 82 1HG1 VAL 82 1.230 8.316 -5.170 614 HG12 VAL 82 2HG1 VAL 82 -0.533 8.282 -5.242 615 HG13 VAL 82 3HG1 VAL 82 0.336 7.076 -4.292 616 HG21 VAL 82 3HG2 VAL 82 -0.129 5.243 -5.012 617 HG22 VAL 82 1HG2 VAL 82 -0.324 4.787 -6.705 618 HG23 VAL 82 2HG2 VAL 82 1.286 4.852 -5.989 619 H ARG 83 H ARG 83 0.542 7.791 -9.544 620 HA ARG 83 HA ARG 83 0.960 10.551 -8.943 621 HB2 ARG 83 1HB ARG 83 1.489 8.772 -11.284 622 HB3 ARG 83 2HB ARG 83 1.538 10.514 -11.521 623 HG2 ARG 83 1HG ARG 83 3.263 10.735 -9.848 624 HG3 ARG 83 2HG ARG 83 3.162 9.012 -9.479 625 HD2 ARG 83 1HD ARG 83 5.066 9.441 -10.910 626 HD3 ARG 83 2HD ARG 83 3.857 8.501 -11.783 627 HE ARG 83 HE ARG 83 3.278 11.070 -12.444 628 HH11 ARG 83 1HH1 ARG 83 6.164 9.127 -12.571 629 HH12 ARG 83 2HH1 ARG 83 6.818 9.956 -13.945 630 HH21 ARG 83 1HH2 ARG 83 4.129 12.169 -14.253 631 HH22 ARG 83 2HH2 ARG 83 5.660 11.686 -14.900 632 H LYS 84 H LYS 84 -1.166 8.811 -11.195 633 HA LYS 84 HA LYS 84 -2.435 11.188 -12.151 634 HB2 LYS 84 1HB LYS 84 -3.953 9.686 -13.309 635 HB3 LYS 84 2HB LYS 84 -2.297 9.121 -13.494 636 HG2 LYS 84 1HG LYS 84 -2.661 7.439 -11.774 637 HG3 LYS 84 2HG LYS 84 -4.312 8.021 -11.542 638 HD2 LYS 84 1HD LYS 84 -3.394 7.162 -14.257 639 HD3 LYS 84 2HD LYS 84 -3.869 5.952 -13.062 640 HE2 LYS 84 1HE LYS 84 -5.859 6.336 -14.164 641 HE3 LYS 84 2HE LYS 84 -5.987 7.440 -12.796 642 HZ1 LYS 84 3HZ LYS 84 -5.982 9.201 -14.138 643 HZ2 LYS 84 1HZ LYS 84 -6.294 8.119 -15.400 644 HZ3 LYS 84 2HZ LYS 84 -4.708 8.613 -15.083 645 H SER 85 H SER 85 -3.025 8.924 -9.562 646 HA SER 85 HA SER 85 -5.606 9.101 -8.902 647 HB2 SER 85 1HB SER 85 -3.145 9.223 -7.216 648 HB3 SER 85 2HB SER 85 -4.702 9.500 -6.436 649 HG SER 85 HG SER 85 -3.973 7.262 -6.506 650 H GLY 86 H GLY 86 -3.261 11.651 -8.042 651 HA2 GLY 86 1HA GLY 86 -4.151 13.952 -8.654 652 HA3 GLY 86 2HA GLY 86 -5.545 13.487 -7.690 653 H ASN 87 H ASN 87 -4.932 15.525 -6.563 654 HA ASN 87 HA ASN 87 -2.572 15.799 -5.084 655 HB2 ASN 87 1HB ASN 87 -5.273 16.872 -4.259 656 HB3 ASN 87 2HB ASN 87 -3.689 17.543 -3.882 657 HD21 ASN 87 1HD2 ASN 87 -2.474 18.504 -5.582 658 HD22 ASN 87 2HD2 ASN 87 -3.273 19.153 -6.970 659 H SER 88 H SER 88 -5.598 14.170 -4.347 660 HA SER 88 HA SER 88 -4.469 13.306 -1.769 661 HB2 SER 88 1HB SER 88 -6.860 12.727 -1.199 662 HB3 SER 88 2HB SER 88 -6.549 14.448 -1.423 663 HG SER 88 HG SER 88 -7.377 12.927 -3.624 664 H VAL 89 H VAL 89 -3.924 11.241 -1.514 665 HA VAL 89 HA VAL 89 -5.063 9.240 -3.349 666 HB VAL 89 HB VAL 89 -2.183 9.273 -2.443 667 HG11 VAL 89 1HG1 VAL 89 -1.895 7.305 -3.524 668 HG12 VAL 89 2HG1 VAL 89 -3.614 7.127 -3.170 669 HG13 VAL 89 3HG1 VAL 89 -3.093 7.683 -4.761 670 HG21 VAL 89 3HG2 VAL 89 -2.940 9.700 -5.284 671 HG22 VAL 89 1HG2 VAL 89 -3.104 11.058 -4.171 672 HG23 VAL 89 2HG2 VAL 89 -1.537 10.279 -4.388 673 H THR 90 H THR 90 -5.597 7.299 -2.466 674 HA THR 90 HA THR 90 -5.332 7.086 0.451 675 HB THR 90 HB THR 90 -7.148 5.384 -1.241 676 HG1 THR 90 1HG THR 90 -7.646 7.984 -0.183 677 HG21 THR 90 3HG2 THR 90 -6.515 5.340 1.439 678 HG22 THR 90 1HG2 THR 90 -7.960 4.638 0.712 679 HG23 THR 90 2HG2 THR 90 -8.018 6.260 1.403 680 H LEU 91 H LEU 91 -3.776 5.801 1.173 681 HA LEU 91 HA LEU 91 -3.055 3.429 -0.420 682 HB2 LEU 91 1HB LEU 91 -1.243 4.803 1.540 683 HB3 LEU 91 2HB LEU 91 -0.819 3.620 0.304 684 HG LEU 91 HG LEU 91 -1.659 6.478 -0.178 685 HD11 LEU 91 1HD1 LEU 91 0.695 5.832 0.762 686 HD12 LEU 91 2HD1 LEU 91 0.544 6.999 -0.551 687 HD13 LEU 91 3HD1 LEU 91 0.994 5.330 -0.902 688 HD21 LEU 91 3HD2 LEU 91 -1.028 4.208 -2.041 689 HD22 LEU 91 1HD2 LEU 91 -0.880 5.896 -2.531 690 HD23 LEU 91 2HD2 LEU 91 -2.445 5.259 -2.025 691 H LEU 92 H LEU 92 -3.629 1.575 0.482 692 HA LEU 92 HA LEU 92 -4.214 1.477 3.337 693 HB2 LEU 92 1HB LEU 92 -4.760 -0.403 1.055 694 HB3 LEU 92 2HB LEU 92 -5.063 -0.836 2.737 695 HG LEU 92 HG LEU 92 -6.353 1.501 1.335 696 HD11 LEU 92 1HD1 LEU 92 -7.046 -1.368 1.425 697 HD12 LEU 92 2HD1 LEU 92 -7.422 -0.144 0.213 698 HD13 LEU 92 3HD1 LEU 92 -8.362 -0.227 1.703 699 HD21 LEU 92 3HD2 LEU 92 -7.797 0.436 3.556 700 HD22 LEU 92 1HD2 LEU 92 -7.134 2.055 3.336 701 HD23 LEU 92 2HD2 LEU 92 -6.142 0.786 4.056 702 H VAL 93 H VAL 93 -2.641 0.923 4.681 703 HA VAL 93 HA VAL 93 -0.596 -0.986 3.755 704 HB VAL 93 HB VAL 93 0.888 -0.052 5.473 705 HG11 VAL 93 1HG1 VAL 93 0.768 0.870 3.136 706 HG12 VAL 93 2HG1 VAL 93 -0.226 2.177 3.783 707 HG13 VAL 93 3HG1 VAL 93 1.432 1.967 4.347 708 HG21 VAL 93 3HG2 VAL 93 -1.559 1.488 6.158 709 HG22 VAL 93 1HG2 VAL 93 -0.327 0.791 7.210 710 HG23 VAL 93 2HG2 VAL 93 0.002 2.289 6.340 711 H LEU 94 H LEU 94 0.117 -2.615 5.189 712 HA LEU 94 HA LEU 94 -1.697 -3.154 7.446 713 HB2 LEU 94 1HB LEU 94 -2.188 -4.604 5.522 714 HB3 LEU 94 2HB LEU 94 -0.521 -5.174 5.541 715 HG LEU 94 HG LEU 94 -1.065 -5.957 7.947 716 HD11 LEU 94 1HD1 LEU 94 -3.596 -4.893 7.120 717 HD12 LEU 94 2HD1 LEU 94 -3.112 -5.540 8.688 718 HD13 LEU 94 3HD1 LEU 94 -3.741 -6.621 7.444 719 HD21 LEU 94 3HD2 LEU 94 -0.597 -7.489 6.147 720 HD22 LEU 94 1HD2 LEU 94 -2.226 -7.287 5.502 721 HD23 LEU 94 2HD2 LEU 94 -1.986 -8.077 7.061 722 H ASP 95 H ASP 95 -0.796 -4.448 9.164 723 HA ASP 95 HA ASP 95 1.853 -3.665 9.838 724 HB2 ASP 95 1HB ASP 95 -0.186 -5.466 11.120 725 HB3 ASP 95 2HB ASP 95 1.445 -5.338 11.773 726 H GLY 96 H GLY 96 3.749 -4.772 9.789 727 HA2 GLY 96 1HA GLY 96 4.309 -6.644 7.891 728 HA3 GLY 96 2HA GLY 96 5.245 -6.477 9.369 729 H ASP 97 H ASP 97 4.297 -7.613 11.311 730 HA ASP 97 HA ASP 97 4.284 -10.293 11.074 731 HB2 ASP 97 1HB ASP 97 2.577 -8.700 12.998 732 HB3 ASP 97 2HB ASP 97 2.972 -10.407 13.178 733 H SER 98 H SER 98 1.306 -8.332 11.069 734 HA SER 98 HA SER 98 -0.538 -10.340 10.667 735 HB2 SER 98 1HB SER 98 -0.861 -7.771 10.989 736 HB3 SER 98 2HB SER 98 -0.833 -7.721 9.227 737 HG SER 98 HG SER 98 -2.646 -9.088 10.914 738 H TYR 99 H TYR 99 1.058 -8.400 8.137 739 HA TYR 99 HA TYR 99 -0.013 -9.597 5.906 740 HB2 TYR 99 1HB TYR 99 1.704 -7.635 6.166 741 HB3 TYR 99 2HB TYR 99 2.902 -8.903 5.936 742 HD1 TYR 99 2HD TYR 99 2.854 -10.253 3.815 743 HD2 TYR 99 1HD TYR 99 0.494 -6.751 4.336 744 HE1 TYR 99 2HE TYR 99 2.560 -10.096 1.378 745 HE2 TYR 99 1HE TYR 99 0.192 -6.585 1.901 746 HH TYR 99 HH TYR 99 2.010 -7.944 -0.274 747 H GLU 100 H GLU 100 2.949 -10.569 7.628 748 HA GLU 100 HA GLU 100 3.546 -12.790 6.024 749 HB2 GLU 100 1HB GLU 100 4.176 -12.410 8.956 750 HB3 GLU 100 2HB GLU 100 4.982 -13.520 7.857 751 HG2 GLU 100 1HG GLU 100 5.761 -11.596 6.531 752 HG3 GLU 100 2HG GLU 100 5.016 -10.515 7.707 753 H LYS 101 H LYS 101 1.474 -12.432 8.843 754 HA LYS 101 HA LYS 101 1.017 -15.161 9.350 755 HB2 LYS 101 1HB LYS 101 0.443 -13.368 10.937 756 HB3 LYS 101 2HB LYS 101 -0.818 -12.809 9.846 757 HG2 LYS 101 1HG LYS 101 -2.138 -14.711 10.218 758 HG3 LYS 101 2HG LYS 101 -0.799 -15.598 10.951 759 HD2 LYS 101 1HD LYS 101 -1.693 -13.052 12.216 760 HD3 LYS 101 2HD LYS 101 -2.683 -14.498 12.431 761 HE2 LYS 101 1HE LYS 101 0.275 -14.508 12.953 762 HE3 LYS 101 2HE LYS 101 -0.882 -14.009 14.186 763 HZ1 LYS 101 3HZ LYS 101 -1.085 -16.146 14.685 764 HZ2 LYS 101 1HZ LYS 101 -0.181 -16.629 13.338 765 HZ3 LYS 101 2HZ LYS 101 -1.849 -16.383 13.194 766 H ALA 102 H ALA 102 -0.724 -12.828 7.325 767 HA ALA 102 HA ALA 102 -2.697 -14.726 6.483 768 HB1 ALA 102 3HB ALA 102 -2.181 -11.903 6.122 769 HB2 ALA 102 1HB ALA 102 -2.686 -12.671 4.617 770 HB3 ALA 102 2HB ALA 102 -3.704 -12.790 6.052 771 H VAL 103 H VAL 103 -0.171 -13.007 4.632 772 HA VAL 103 HA VAL 103 -0.284 -14.348 2.272 773 HB VAL 103 HB VAL 103 1.291 -12.466 2.869 774 HG11 VAL 103 1HG1 VAL 103 2.226 -13.868 4.839 775 HG12 VAL 103 2HG1 VAL 103 3.273 -14.581 3.611 776 HG13 VAL 103 3HG1 VAL 103 3.323 -12.843 3.914 777 HG21 VAL 103 3HG2 VAL 103 1.780 -13.022 0.749 778 HG22 VAL 103 1HG2 VAL 103 3.215 -13.770 1.450 779 HG23 VAL 103 2HG2 VAL 103 1.791 -14.750 1.101 780 H LYS 104 H LYS 104 0.823 -15.586 5.309 781 HA LYS 104 HA LYS 104 2.160 -17.878 4.164 782 HB2 LYS 104 1HB LYS 104 1.617 -16.881 6.929 783 HB3 LYS 104 2HB LYS 104 2.021 -18.579 6.708 784 HG2 LYS 104 1HG LYS 104 3.754 -16.487 5.479 785 HG3 LYS 104 2HG LYS 104 3.887 -16.834 7.204 786 HD2 LYS 104 1HD LYS 104 4.324 -19.180 6.714 787 HD3 LYS 104 2HD LYS 104 4.136 -18.868 4.987 788 HE2 LYS 104 1HE LYS 104 6.015 -17.117 5.362 789 HE3 LYS 104 2HE LYS 104 6.332 -18.025 6.839 790 HZ1 LYS 104 3HZ LYS 104 7.547 -18.641 4.647 791 HZ2 LYS 104 1HZ LYS 104 6.114 -19.464 4.286 792 HZ3 LYS 104 2HZ LYS 104 6.995 -19.868 5.673 793 H ASN 105 H ASN 105 -0.926 -17.160 5.709 794 HA ASN 105 HA ASN 105 -1.768 -19.942 5.465 795 HB2 ASN 105 1HB ASN 105 -3.192 -17.540 6.632 796 HB3 ASN 105 2HB ASN 105 -3.801 -19.192 6.661 797 HD21 ASN 105 1HD2 ASN 105 -2.547 -16.996 8.577 798 HD22 ASN 105 2HD2 ASN 105 -1.612 -17.973 9.653 799 H GLN 106 H GLN 106 -1.379 -17.854 3.223 800 HA GLN 106 HA GLN 106 -2.419 -17.178 1.303 801 HB2 GLN 106 1HB GLN 106 -3.371 -19.980 1.771 802 HB3 GLN 106 2HB GLN 106 -3.983 -19.071 0.395 803 HG2 GLN 106 1HG GLN 106 -1.135 -19.830 0.975 804 HG3 GLN 106 2HG GLN 106 -2.152 -20.380 -0.355 805 HE21 GLN 106 1HE2 GLN 106 0.001 -17.989 0.767 806 HE22 GLN 106 2HE2 GLN 106 -0.028 -16.975 -0.631 807 H VAL 107 H VAL 107 -3.620 -16.036 3.509 808 HA VAL 107 HA VAL 107 -6.477 -16.377 3.383 809 HB VAL 107 HB VAL 107 -4.828 -14.264 4.778 810 HG11 VAL 107 1HG1 VAL 107 -7.106 -14.272 6.148 811 HG12 VAL 107 2HG1 VAL 107 -6.856 -13.233 4.744 812 HG13 VAL 107 3HG1 VAL 107 -7.747 -14.746 4.576 813 HG21 VAL 107 3HG2 VAL 107 -5.343 -17.017 5.382 814 HG22 VAL 107 1HG2 VAL 107 -4.364 -15.847 6.266 815 HG23 VAL 107 2HG2 VAL 107 -6.089 -15.991 6.607 816 H ASP 108 H ASP 108 -7.835 -15.379 2.052 817 HA ASP 108 HA ASP 108 -7.180 -13.908 -0.138 818 HB2 ASP 108 1HB ASP 108 -9.709 -13.437 1.448 819 HB3 ASP 108 2HB ASP 108 -9.479 -13.220 -0.285 820 H LEU 109 H LEU 109 -5.867 -12.190 -0.143 821 HA LEU 109 HA LEU 109 -5.993 -10.185 1.934 822 HB2 LEU 109 1HB LEU 109 -4.319 -10.450 -0.554 823 HB3 LEU 109 2HB LEU 109 -4.195 -9.092 0.562 824 HG LEU 109 HG LEU 109 -3.667 -11.969 1.298 825 HD11 LEU 109 1HD1 LEU 109 -1.278 -11.119 1.418 826 HD12 LEU 109 2HD1 LEU 109 -1.830 -9.747 0.458 827 HD13 LEU 109 3HD1 LEU 109 -1.948 -11.382 -0.192 828 HD21 LEU 109 3HD2 LEU 109 -4.393 -10.601 3.175 829 HD22 LEU 109 1HD2 LEU 109 -3.175 -9.387 2.779 830 HD23 LEU 109 2HD2 LEU 109 -2.678 -10.992 3.316 831 H LYS 110 H LYS 110 -7.205 -10.636 -1.275 832 HA LYS 110 HA LYS 110 -7.638 -7.954 -2.004 833 HB2 LYS 110 1HB LYS 110 -8.747 -10.588 -2.850 834 HB3 LYS 110 2HB LYS 110 -9.611 -9.136 -3.338 835 HG2 LYS 110 1HG LYS 110 -7.557 -8.284 -4.382 836 HG3 LYS 110 2HG LYS 110 -6.727 -9.774 -3.927 837 HD2 LYS 110 1HD LYS 110 -9.266 -9.998 -5.459 838 HD3 LYS 110 2HD LYS 110 -7.823 -9.456 -6.319 839 HE2 LYS 110 1HE LYS 110 -7.624 -11.713 -6.607 840 HE3 LYS 110 2HE LYS 110 -6.740 -11.526 -5.094 841 HZ1 LYS 110 3HZ LYS 110 -9.631 -12.117 -5.096 842 HZ2 LYS 110 1HZ LYS 110 -8.496 -12.382 -3.870 843 HZ3 LYS 110 2HZ LYS 110 -8.493 -13.358 -5.251 844 H GLU 111 H GLU 111 -9.196 -9.967 0.290 845 HA GLU 111 HA GLU 111 -11.707 -8.569 0.305 846 HB2 GLU 111 1HB GLU 111 -10.484 -10.497 2.286 847 HB3 GLU 111 2HB GLU 111 -12.124 -9.871 2.387 848 HG2 GLU 111 1HG GLU 111 -12.446 -10.848 0.048 849 HG3 GLU 111 2HG GLU 111 -10.956 -11.737 0.357 850 H LEU 112 H LEU 112 -8.632 -8.243 1.880 851 HA LEU 112 HA LEU 112 -9.266 -6.819 4.159 852 HB2 LEU 112 1HB LEU 112 -6.933 -6.225 2.351 853 HB3 LEU 112 2HB LEU 112 -7.047 -5.911 4.081 854 HG LEU 112 HG LEU 112 -7.007 -8.662 2.844 855 HD11 LEU 112 1HD1 LEU 112 -4.851 -8.092 2.455 856 HD12 LEU 112 2HD1 LEU 112 -4.690 -8.510 4.160 857 HD13 LEU 112 3HD1 LEU 112 -4.847 -6.821 3.678 858 HD21 LEU 112 3HD2 LEU 112 -8.083 -8.797 4.930 859 HD22 LEU 112 1HD2 LEU 112 -6.977 -7.639 5.669 860 HD23 LEU 112 2HD2 LEU 112 -6.408 -9.253 5.244 861 H ASP 113 H ASP 113 -10.956 -5.394 3.920 862 HA ASP 113 HA ASP 113 -10.366 -2.987 2.327 863 HB2 ASP 113 1HB ASP 113 -12.893 -2.757 2.114 864 HB3 ASP 113 2HB ASP 113 -12.145 -4.043 1.171 865 H GLN 114 H GLN 114 -9.533 -1.832 4.050 866 HA GLN 114 HA GLN 114 -10.298 -1.657 6.634 867 HB2 GLN 114 1HB GLN 114 -8.478 -0.338 5.465 868 HB3 GLN 114 2HB GLN 114 -9.724 0.809 4.993 869 HG2 GLN 114 1HG GLN 114 -9.350 0.081 7.866 870 HG3 GLN 114 2HG GLN 114 -8.300 1.269 7.096 871 HE21 GLN 114 1HE2 GLN 114 -10.642 1.225 9.136 872 HE22 GLN 114 2HE2 GLN 114 -11.603 2.572 8.638 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -17.058 -14.966 20.577 2 HA2 GLY 1 1HA GLY 1 -18.330 -13.349 22.685 3 HA3 GLY 1 2HA GLY 1 -16.731 -12.913 22.099 4 H SER 2 H SER 2 -19.365 -11.501 22.013 5 HA SER 2 HA SER 2 -20.693 -10.337 20.556 6 HB2 SER 2 1HB SER 2 -19.385 -9.175 18.758 7 HB3 SER 2 2HB SER 2 -18.671 -9.035 20.365 8 HG SER 2 HG SER 2 -17.899 -10.994 18.467 9 H SER 3 H SER 3 -20.928 -13.092 20.166 10 HA SER 3 HA SER 3 -20.764 -13.646 17.334 11 HB2 SER 3 1HB SER 3 -20.369 -15.411 19.045 12 HB3 SER 3 2HB SER 3 -22.061 -15.282 19.528 13 HG SER 3 HG SER 3 -22.205 -15.612 16.992 14 H GLY 4 H GLY 4 -22.387 -13.594 15.871 15 HA2 GLY 4 1HA GLY 4 -25.110 -13.780 16.319 16 HA3 GLY 4 2HA GLY 4 -24.718 -12.073 16.470 17 H SER 5 H SER 5 -22.886 -11.632 14.549 18 HA SER 5 HA SER 5 -24.406 -11.381 12.228 19 HB2 SER 5 1HB SER 5 -21.384 -11.424 12.385 20 HB3 SER 5 2HB SER 5 -22.366 -10.659 11.136 21 HG SER 5 HG SER 5 -22.767 -9.030 12.433 22 H SER 6 H SER 6 -23.501 -12.224 10.025 23 HA SER 6 HA SER 6 -23.017 -15.121 10.261 24 HB2 SER 6 1HB SER 6 -25.340 -14.769 9.621 25 HB3 SER 6 2HB SER 6 -24.845 -13.707 8.303 26 HG SER 6 HG SER 6 -23.698 -15.567 7.450 27 H GLY 7 H GLY 7 -21.197 -15.742 9.315 28 HA2 GLY 7 1HA GLY 7 -20.362 -14.499 6.809 29 HA3 GLY 7 2HA GLY 7 -19.256 -14.353 8.167 30 H MET 8 H MET 8 -18.014 -15.511 6.304 31 HA MET 8 HA MET 8 -18.168 -18.394 6.870 32 HB2 MET 8 1HB MET 8 -19.083 -18.038 4.646 33 HB3 MET 8 2HB MET 8 -17.667 -17.104 4.182 34 HG2 MET 8 1HG MET 8 -16.354 -19.254 4.742 35 HG3 MET 8 2HG MET 8 -17.923 -20.047 4.623 36 HE1 MET 8 3HE MET 8 -14.992 -19.902 1.804 37 HE2 MET 8 1HE MET 8 -15.198 -18.151 1.762 38 HE3 MET 8 2HE MET 8 -14.946 -18.972 3.302 39 H ALA 9 H ALA 9 -16.138 -15.758 5.625 40 HA ALA 9 HA ALA 9 -13.822 -17.073 6.882 41 HB1 ALA 9 3HB ALA 9 -13.258 -15.379 4.543 42 HB2 ALA 9 1HB ALA 9 -12.545 -16.916 5.035 43 HB3 ALA 9 2HB ALA 9 -14.100 -16.891 4.204 44 H SER 10 H SER 10 -12.522 -15.807 8.103 45 HA SER 10 HA SER 10 -13.481 -13.245 8.898 46 HB2 SER 10 1HB SER 10 -11.574 -13.210 10.414 47 HB3 SER 10 2HB SER 10 -12.324 -14.805 10.445 48 HG SER 10 HG SER 10 -10.636 -15.235 8.706 49 H THR 11 H THR 11 -11.813 -11.389 9.100 50 HA THR 11 HA THR 11 -10.043 -11.156 6.805 51 HB THR 11 HB THR 11 -12.161 -10.408 5.863 52 HG1 THR 11 1HG THR 11 -10.296 -8.335 6.442 53 HG21 THR 11 3HG2 THR 11 -13.285 -8.398 6.774 54 HG22 THR 11 1HG2 THR 11 -12.196 -8.447 8.160 55 HG23 THR 11 2HG2 THR 11 -13.333 -9.767 7.885 56 H PHE 12 H PHE 12 -8.438 -9.624 7.061 57 HA PHE 12 HA PHE 12 -7.948 -8.777 9.762 58 HB2 PHE 12 1HB PHE 12 -6.416 -8.449 7.184 59 HB3 PHE 12 2HB PHE 12 -5.867 -7.754 8.705 60 HD1 PHE 12 2HD PHE 12 -6.884 -10.992 7.184 61 HD2 PHE 12 1HD PHE 12 -4.537 -9.001 10.124 62 HE1 PHE 12 2HE PHE 12 -5.807 -13.127 7.765 63 HE2 PHE 12 1HE PHE 12 -3.456 -11.132 10.709 64 HZ PHE 12 HZ PHE 12 -4.091 -13.199 9.530 65 H ASN 13 H ASN 13 -7.240 -6.515 10.235 66 HA ASN 13 HA ASN 13 -8.979 -4.595 8.830 67 HB2 ASN 13 1HB ASN 13 -8.767 -3.343 11.120 68 HB3 ASN 13 2HB ASN 13 -9.901 -4.680 10.957 69 HD21 ASN 13 1HD2 ASN 13 -9.920 -5.844 12.729 70 HD22 ASN 13 2HD2 ASN 13 -8.542 -6.300 13.667 71 HA PRO 14 HA PRO 14 -4.718 -3.111 8.032 72 HB2 PRO 14 1HB PRO 14 -5.336 -2.000 5.634 73 HB3 PRO 14 2HB PRO 14 -4.946 -3.713 5.826 74 HG2 PRO 14 1HG PRO 14 -7.624 -2.394 5.607 75 HG3 PRO 14 2HG PRO 14 -7.045 -3.884 4.840 76 HD2 PRO 14 1HD PRO 14 -8.618 -3.896 7.044 77 HD3 PRO 14 2HD PRO 14 -7.394 -5.145 6.738 78 H ARG 15 H ARG 15 -3.951 -0.886 7.525 79 HA ARG 15 HA ARG 15 -5.754 1.091 8.740 80 HB2 ARG 15 1HB ARG 15 -3.630 0.712 9.917 81 HB3 ARG 15 2HB ARG 15 -2.744 1.135 8.458 82 HG2 ARG 15 1HG ARG 15 -3.910 3.388 8.586 83 HG3 ARG 15 2HG ARG 15 -4.394 2.917 10.217 84 HD2 ARG 15 1HD ARG 15 -1.573 3.137 9.171 85 HD3 ARG 15 2HD ARG 15 -2.365 4.247 10.288 86 HE ARG 15 HE ARG 15 -2.283 1.525 11.214 87 HH11 ARG 15 1HH1 ARG 15 -0.581 4.558 11.064 88 HH12 ARG 15 2HH1 ARG 15 0.387 4.234 12.465 89 HH21 ARG 15 1HH2 ARG 15 -1.015 1.086 13.059 90 HH22 ARG 15 2HH2 ARG 15 0.139 2.258 13.598 91 H GLU 16 H GLU 16 -6.368 2.881 7.663 92 HA GLU 16 HA GLU 16 -5.503 3.119 4.874 93 HB2 GLU 16 1HB GLU 16 -7.968 2.974 5.578 94 HB3 GLU 16 2HB GLU 16 -7.774 4.623 6.155 95 HG2 GLU 16 1HG GLU 16 -7.441 5.466 4.014 96 HG3 GLU 16 2HG GLU 16 -7.051 3.881 3.349 97 H CYS 17 H CYS 17 -4.081 4.621 4.321 98 HA CYS 17 HA CYS 17 -3.695 6.921 6.115 99 HB2 CYS 17 1HB CYS 17 -1.771 5.674 4.140 100 HB3 CYS 17 2HB CYS 17 -1.427 7.081 5.139 101 HG CYS 17 HG CYS 17 -2.438 4.631 7.074 102 H LYS 18 H LYS 18 -3.569 8.996 5.283 103 HA LYS 18 HA LYS 18 -4.441 9.289 2.482 104 HB2 LYS 18 1HB LYS 18 -5.293 10.711 4.976 105 HB3 LYS 18 2HB LYS 18 -5.368 11.550 3.433 106 HG2 LYS 18 1HG LYS 18 -6.659 8.876 3.875 107 HG3 LYS 18 2HG LYS 18 -7.482 10.401 4.211 108 HD2 LYS 18 1HD LYS 18 -7.019 11.080 1.851 109 HD3 LYS 18 2HD LYS 18 -6.400 9.453 1.560 110 HE2 LYS 18 1HE LYS 18 -8.670 9.515 0.822 111 HE3 LYS 18 2HE LYS 18 -8.611 8.563 2.304 112 HZ1 LYS 18 3HZ LYS 18 -10.385 10.466 1.920 113 HZ2 LYS 18 1HZ LYS 18 -9.149 11.417 2.578 114 HZ3 LYS 18 2HZ LYS 18 -9.769 10.111 3.455 115 H LEU 19 H LEU 19 -3.016 10.263 1.213 116 HA LEU 19 HA LEU 19 -0.975 11.985 2.450 117 HB2 LEU 19 1HB LEU 19 -0.962 10.114 0.144 118 HB3 LEU 19 2HB LEU 19 0.066 11.542 0.048 119 HG LEU 19 HG LEU 19 0.865 10.680 2.422 120 HD11 LEU 19 1HD1 LEU 19 -0.598 8.821 2.654 121 HD12 LEU 19 2HD1 LEU 19 1.012 8.179 2.333 122 HD13 LEU 19 3HD1 LEU 19 -0.193 8.220 1.046 123 HD21 LEU 19 3HD2 LEU 19 1.713 10.009 -0.342 124 HD22 LEU 19 1HD2 LEU 19 2.485 9.144 0.987 125 HD23 LEU 19 2HD2 LEU 19 2.560 10.905 0.920 126 H SER 20 H SER 20 -0.558 14.013 1.640 127 HA SER 20 HA SER 20 -2.183 14.962 -0.606 128 HB2 SER 20 1HB SER 20 -3.016 16.856 0.574 129 HB3 SER 20 2HB SER 20 -3.315 15.467 1.618 130 HG SER 20 HG SER 20 -1.236 16.063 2.628 131 H LYS 21 H LYS 21 -1.141 16.338 -1.928 132 HA LYS 21 HA LYS 21 1.220 17.765 -0.992 133 HB2 LYS 21 1HB LYS 21 2.714 16.880 -2.596 134 HB3 LYS 21 2HB LYS 21 1.925 15.486 -1.870 135 HG2 LYS 21 1HG LYS 21 0.660 15.053 -3.767 136 HG3 LYS 21 2HG LYS 21 0.875 16.686 -4.402 137 HD2 LYS 21 1HD LYS 21 3.324 16.147 -4.648 138 HD3 LYS 21 2HD LYS 21 2.915 14.472 -4.270 139 HE2 LYS 21 1HE LYS 21 3.019 14.733 -6.659 140 HE3 LYS 21 2HE LYS 21 1.341 14.474 -6.184 141 HZ1 LYS 21 3HZ LYS 21 0.802 16.366 -7.167 142 HZ2 LYS 21 1HZ LYS 21 2.408 16.601 -7.643 143 HZ3 LYS 21 2HZ LYS 21 1.862 17.229 -6.171 144 H GLN 22 H GLN 22 2.163 19.019 -3.018 145 HA GLN 22 HA GLN 22 -0.145 20.336 -4.268 146 HB2 GLN 22 1HB GLN 22 2.645 21.314 -3.668 147 HB3 GLN 22 2HB GLN 22 1.506 22.215 -4.659 148 HG2 GLN 22 1HG GLN 22 -0.036 22.362 -2.791 149 HG3 GLN 22 2HG GLN 22 1.062 21.410 -1.794 150 HE21 GLN 22 1HE2 GLN 22 0.086 24.028 -1.232 151 HE22 GLN 22 2HE2 GLN 22 1.451 25.085 -1.167 152 H GLU 23 H GLU 23 -0.104 20.893 -6.475 153 HA GLU 23 HA GLU 23 0.886 18.944 -8.206 154 HB2 GLU 23 1HB GLU 23 -0.321 21.642 -8.537 155 HB3 GLU 23 2HB GLU 23 0.509 20.954 -9.926 156 HG2 GLU 23 1HG GLU 23 -1.020 19.283 -10.195 157 HG3 GLU 23 2HG GLU 23 -1.465 19.264 -8.490 158 H GLY 24 H GLY 24 2.971 18.511 -8.529 159 HA2 GLY 24 1HA GLY 24 4.901 19.276 -9.868 160 HA3 GLY 24 2HA GLY 24 4.791 20.794 -8.991 161 H GLN 25 H GLN 25 4.330 19.639 -6.408 162 HA GLN 25 HA GLN 25 7.063 19.050 -5.722 163 HB2 GLN 25 1HB GLN 25 4.554 19.628 -4.225 164 HB3 GLN 25 2HB GLN 25 5.831 18.764 -3.379 165 HG2 GLN 25 1HG GLN 25 6.194 21.407 -4.770 166 HG3 GLN 25 2HG GLN 25 5.885 21.212 -3.045 167 HE21 GLN 25 1HE2 GLN 25 7.518 20.620 -1.708 168 HE22 GLN 25 2HE2 GLN 25 9.157 20.421 -2.218 169 H ASN 26 H ASN 26 7.344 17.271 -3.943 170 HA ASN 26 HA ASN 26 6.244 14.795 -5.080 171 HB2 ASN 26 1HB ASN 26 8.202 13.739 -3.808 172 HB3 ASN 26 2HB ASN 26 8.599 14.723 -5.214 173 HD21 ASN 26 1HD2 ASN 26 9.441 16.823 -4.886 174 HD22 ASN 26 2HD2 ASN 26 10.234 17.238 -3.408 175 H TYR 27 H TYR 27 6.120 12.958 -3.416 176 HA TYR 27 HA TYR 27 4.451 13.904 -1.232 177 HB2 TYR 27 1HB TYR 27 4.853 11.315 -2.640 178 HB3 TYR 27 2HB TYR 27 4.314 11.246 -0.966 179 HD1 TYR 27 2HD TYR 27 2.321 12.985 -0.450 180 HD2 TYR 27 1HD TYR 27 3.215 11.310 -4.257 181 HE1 TYR 27 2HE TYR 27 0.008 13.407 -1.172 182 HE2 TYR 27 1HE TYR 27 0.905 11.728 -4.990 183 HH TYR 27 HH TYR 27 -0.975 13.133 -4.442 184 H GLY 28 H GLY 28 7.603 12.570 -1.753 185 HA2 GLY 28 1HA GLY 28 9.295 12.896 -0.068 186 HA3 GLY 28 2HA GLY 28 8.058 12.653 1.157 187 H PHE 29 H PHE 29 6.995 10.343 -0.482 188 HA PHE 29 HA PHE 29 8.996 8.381 0.419 189 HB2 PHE 29 1HB PHE 29 7.298 6.944 1.045 190 HB3 PHE 29 2HB PHE 29 6.548 8.502 1.373 191 HD1 PHE 29 1HD PHE 29 4.946 9.455 -0.304 192 HD2 PHE 29 2HD PHE 29 6.375 5.452 -0.511 193 HE1 PHE 29 1HE PHE 29 3.072 8.867 -1.787 194 HE2 PHE 29 2HE PHE 29 4.505 4.857 -1.995 195 HZ PHE 29 HZ PHE 29 2.851 6.566 -2.636 196 H PHE 30 H PHE 30 9.260 6.441 -0.846 197 HA PHE 30 HA PHE 30 8.389 6.639 -3.637 198 HB2 PHE 30 1HB PHE 30 11.242 6.183 -2.741 199 HB3 PHE 30 2HB PHE 30 10.671 6.018 -4.398 200 HD1 PHE 30 1HD PHE 30 9.551 8.101 -5.441 201 HD2 PHE 30 2HD PHE 30 12.049 8.214 -1.997 202 HE1 PHE 30 1HE PHE 30 9.962 10.497 -5.822 203 HE2 PHE 30 2HE PHE 30 12.464 10.610 -2.372 204 HZ PHE 30 HZ PHE 30 11.420 11.755 -4.286 205 H LEU 31 H LEU 31 7.809 4.739 -4.526 206 HA LEU 31 HA LEU 31 7.679 2.423 -2.835 207 HB2 LEU 31 1HB LEU 31 6.840 2.961 -5.672 208 HB3 LEU 31 2HB LEU 31 6.664 1.380 -4.913 209 HG LEU 31 HG LEU 31 5.423 3.840 -3.719 210 HD11 LEU 31 1HD1 LEU 31 3.313 2.985 -4.875 211 HD12 LEU 31 2HD1 LEU 31 4.405 2.118 -5.955 212 HD13 LEU 31 3HD1 LEU 31 4.475 3.878 -5.857 213 HD21 LEU 31 3HD2 LEU 31 4.830 2.381 -2.156 214 HD22 LEU 31 1HD2 LEU 31 5.553 1.053 -3.065 215 HD23 LEU 31 2HD2 LEU 31 3.879 1.520 -3.368 216 H ARG 32 H ARG 32 9.209 0.941 -2.628 217 HA ARG 32 HA ARG 32 11.101 0.551 -4.854 218 HB2 ARG 32 1HB ARG 32 11.577 0.286 -1.880 219 HB3 ARG 32 2HB ARG 32 12.741 -0.166 -3.118 220 HG2 ARG 32 1HG ARG 32 11.620 2.610 -2.867 221 HG3 ARG 32 2HG ARG 32 13.087 2.079 -2.041 222 HD2 ARG 32 1HD ARG 32 14.267 1.838 -4.017 223 HD3 ARG 32 2HD ARG 32 12.805 1.672 -4.987 224 HE ARG 32 HE ARG 32 12.663 3.968 -5.131 225 HH11 ARG 32 1HH1 ARG 32 15.085 3.067 -2.798 226 HH12 ARG 32 2HH1 ARG 32 15.724 4.671 -2.649 227 HH21 ARG 32 1HH2 ARG 32 13.496 6.083 -4.943 228 HH22 ARG 32 2HH2 ARG 32 14.819 6.385 -3.869 229 H ILE 33 H ILE 33 11.928 -1.603 -5.152 230 HA ILE 33 HA ILE 33 10.089 -3.680 -4.154 231 HB ILE 33 HB ILE 33 10.505 -4.922 -6.231 232 HG12 ILE 33 1HG1 ILE 33 11.844 -2.443 -7.303 233 HG13 ILE 33 2HG1 ILE 33 12.764 -3.773 -6.608 234 HG21 ILE 33 1HG2 ILE 33 8.621 -3.261 -5.957 235 HG22 ILE 33 2HG2 ILE 33 9.592 -2.138 -6.907 236 HG23 ILE 33 3HG2 ILE 33 9.060 -3.662 -7.617 237 HD11 ILE 33 3HD1 ILE 33 11.467 -5.228 -8.307 238 HD12 ILE 33 1HD1 ILE 33 11.162 -3.695 -9.122 239 HD13 ILE 33 2HD1 ILE 33 12.819 -4.240 -8.860 240 H GLU 34 H GLU 34 10.981 -5.812 -3.872 241 HA GLU 34 HA GLU 34 13.903 -5.873 -3.554 242 HB2 GLU 34 1HB GLU 34 11.826 -6.767 -1.556 243 HB3 GLU 34 2HB GLU 34 13.513 -7.252 -1.470 244 HG2 GLU 34 1HG GLU 34 13.978 -4.699 -1.544 245 HG3 GLU 34 2HG GLU 34 12.295 -4.565 -1.039 246 H LYS 35 H LYS 35 14.881 -7.912 -3.780 247 HA LYS 35 HA LYS 35 13.697 -9.610 -5.693 248 HB2 LYS 35 1HB LYS 35 16.157 -9.774 -3.985 249 HB3 LYS 35 2HB LYS 35 15.661 -11.161 -4.946 250 HG2 LYS 35 1HG LYS 35 15.847 -8.527 -6.300 251 HG3 LYS 35 2HG LYS 35 17.346 -9.353 -5.868 252 HD2 LYS 35 1HD LYS 35 15.223 -10.929 -7.227 253 HD3 LYS 35 2HD LYS 35 16.137 -9.767 -8.190 254 HE2 LYS 35 1HE LYS 35 17.377 -11.711 -8.425 255 HE3 LYS 35 2HE LYS 35 18.214 -10.876 -7.117 256 HZ1 LYS 35 3HZ LYS 35 16.087 -12.642 -6.268 257 HZ2 LYS 35 1HZ LYS 35 17.648 -12.446 -5.645 258 HZ3 LYS 35 2HZ LYS 35 17.396 -13.422 -7.003 259 H ASP 36 H ASP 36 12.786 -11.634 -5.541 260 HA ASP 36 HA ASP 36 11.293 -13.101 -4.591 261 HB2 ASP 36 1HB ASP 36 13.587 -13.418 -2.645 262 HB3 ASP 36 2HB ASP 36 12.350 -14.616 -3.014 263 H THR 37 H THR 37 10.418 -10.712 -3.854 264 HA THR 37 HA THR 37 9.495 -11.166 -1.118 265 HB THR 37 HB THR 37 10.479 -8.448 -1.998 266 HG1 THR 37 1HG THR 37 12.073 -9.093 -0.192 267 HG21 THR 37 3HG2 THR 37 9.682 -7.650 -0.055 268 HG22 THR 37 1HG2 THR 37 10.219 -9.063 0.852 269 HG23 THR 37 2HG2 THR 37 8.691 -9.108 -0.029 270 H ASP 38 H ASP 38 7.422 -10.491 -0.734 271 HA ASP 38 HA ASP 38 5.910 -9.649 -3.089 272 HB2 ASP 38 1HB ASP 38 5.214 -11.001 -0.512 273 HB3 ASP 38 2HB ASP 38 3.958 -10.127 -1.384 274 H GLY 39 H GLY 39 4.021 -8.138 -2.641 275 HA2 GLY 39 1HA GLY 39 3.301 -6.033 -2.082 276 HA3 GLY 39 2HA GLY 39 4.009 -6.335 -0.502 277 H HIS 40 H HIS 40 3.974 -3.806 -1.670 278 HA HIS 40 HA HIS 40 6.683 -3.367 -2.679 279 HB2 HIS 40 1HB HIS 40 4.185 -1.707 -2.596 280 HB3 HIS 40 2HB HIS 40 5.750 -0.933 -2.821 281 HD1 HIS 40 1HD HIS 40 6.629 -0.870 -5.150 282 HD2 HIS 40 2HD HIS 40 3.594 -3.670 -4.693 283 HE1 HIS 40 1HE HIS 40 6.147 -1.722 -7.466 284 HE2 HIS 40 2HE HIS 40 4.249 -3.353 -7.175 285 H LEU 41 H LEU 41 8.279 -2.614 -1.447 286 HA LEU 41 HA LEU 41 7.702 -1.937 1.326 287 HB2 LEU 41 1HB LEU 41 10.109 -2.748 -0.213 288 HB3 LEU 41 2HB LEU 41 10.349 -1.782 1.241 289 HG LEU 41 HG LEU 41 8.864 -3.614 2.363 290 HD11 LEU 41 1HD1 LEU 41 9.978 -5.696 0.798 291 HD12 LEU 41 2HD1 LEU 41 9.086 -4.624 -0.281 292 HD13 LEU 41 3HD1 LEU 41 8.278 -5.344 1.112 293 HD21 LEU 41 3HD2 LEU 41 11.736 -4.024 1.544 294 HD22 LEU 41 1HD2 LEU 41 10.911 -4.957 2.792 295 HD23 LEU 41 2HD2 LEU 41 11.143 -3.221 2.999 296 H ILE 42 H ILE 42 7.629 0.077 2.069 297 HA ILE 42 HA ILE 42 8.343 2.268 0.288 298 HB ILE 42 HB ILE 42 6.955 2.286 2.970 299 HG12 ILE 42 1HG1 ILE 42 5.685 3.051 0.370 300 HG13 ILE 42 2HG1 ILE 42 5.857 1.345 0.768 301 HG21 ILE 42 1HG2 ILE 42 8.334 4.366 1.804 302 HG22 ILE 42 2HG2 ILE 42 6.668 4.649 1.302 303 HG23 ILE 42 3HG2 ILE 42 7.062 4.514 3.016 304 HD11 ILE 42 3HD1 ILE 42 4.067 3.381 1.891 305 HD12 ILE 42 1HD1 ILE 42 3.841 1.643 1.699 306 HD13 ILE 42 2HD1 ILE 42 4.781 2.265 3.055 307 H ARG 43 H ARG 43 10.197 3.334 0.432 308 HA ARG 43 HA ARG 43 11.532 3.580 3.021 309 HB2 ARG 43 1HB ARG 43 12.592 2.161 0.632 310 HB3 ARG 43 2HB ARG 43 13.716 3.166 1.537 311 HG2 ARG 43 1HG ARG 43 12.999 1.905 3.599 312 HG3 ARG 43 2HG ARG 43 12.160 0.791 2.517 313 HD2 ARG 43 1HD ARG 43 14.361 -0.067 3.087 314 HD3 ARG 43 2HD ARG 43 14.274 0.324 1.370 315 HE ARG 43 HE ARG 43 15.306 2.573 2.444 316 HH11 ARG 43 1HH1 ARG 43 16.154 -0.792 2.721 317 HH12 ARG 43 2HH1 ARG 43 17.841 -0.481 2.965 318 HH21 ARG 43 1HH2 ARG 43 17.524 2.995 2.765 319 HH22 ARG 43 2HH2 ARG 43 18.619 1.674 2.991 320 H VAL 44 H VAL 44 13.484 5.098 2.795 321 HA VAL 44 HA VAL 44 14.282 7.179 2.331 322 HB VAL 44 HB VAL 44 12.975 7.081 -0.369 323 HG11 VAL 44 1HG1 VAL 44 15.299 8.077 -0.913 324 HG12 VAL 44 2HG1 VAL 44 14.107 9.089 -0.095 325 HG13 VAL 44 3HG1 VAL 44 15.413 8.343 0.827 326 HG21 VAL 44 3HG2 VAL 44 14.774 5.730 -1.229 327 HG22 VAL 44 1HG2 VAL 44 15.533 5.660 0.362 328 HG23 VAL 44 2HG2 VAL 44 13.985 4.860 0.087 329 H ILE 45 H ILE 45 12.069 7.253 3.824 330 HA ILE 45 HA ILE 45 10.138 9.069 2.621 331 HB ILE 45 HB ILE 45 10.214 7.997 5.442 332 HG12 ILE 45 1HG1 ILE 45 8.448 7.019 3.205 333 HG13 ILE 45 2HG1 ILE 45 10.021 6.298 3.526 334 HG21 ILE 45 1HG2 ILE 45 8.079 9.410 3.856 335 HG22 ILE 45 2HG2 ILE 45 7.791 8.595 5.392 336 HG23 ILE 45 3HG2 ILE 45 8.883 9.978 5.320 337 HD11 ILE 45 3HD1 ILE 45 8.766 4.909 4.777 338 HD12 ILE 45 1HD1 ILE 45 8.991 6.177 5.982 339 HD13 ILE 45 2HD1 ILE 45 7.500 6.108 5.041 340 H GLU 46 H GLU 46 11.369 10.945 2.330 341 HA GLU 46 HA GLU 46 13.098 12.218 3.977 342 HB2 GLU 46 1HB GLU 46 12.458 13.085 1.781 343 HB3 GLU 46 2HB GLU 46 10.874 13.527 2.402 344 HG2 GLU 46 1HG GLU 46 11.917 15.123 3.930 345 HG3 GLU 46 2HG GLU 46 13.503 14.684 3.300 346 H GLU 47 H GLU 47 12.932 13.891 5.565 347 HA GLU 47 HA GLU 47 10.938 13.333 7.545 348 HB2 GLU 47 1HB GLU 47 13.453 14.103 7.793 349 HB3 GLU 47 2HB GLU 47 12.739 15.708 7.736 350 HG2 GLU 47 1HG GLU 47 11.591 13.704 9.606 351 HG3 GLU 47 2HG GLU 47 13.128 14.466 10.011 352 H GLY 48 H GLY 48 9.557 14.956 8.539 353 HA2 GLY 48 1HA GLY 48 7.824 16.454 8.360 354 HA3 GLY 48 2HA GLY 48 9.016 17.488 7.587 355 H SER 49 H SER 49 8.031 14.415 6.243 356 HA SER 49 HA SER 49 6.983 15.835 3.910 357 HB2 SER 49 1HB SER 49 7.518 13.977 2.641 358 HB3 SER 49 2HB SER 49 8.739 13.863 3.908 359 HG SER 49 HG SER 49 7.806 12.120 4.658 360 HA PRO 50 HA PRO 50 2.774 14.875 4.695 361 HB2 PRO 50 1HB PRO 50 1.836 14.503 2.175 362 HB3 PRO 50 2HB PRO 50 2.269 16.093 2.814 363 HG2 PRO 50 1HG PRO 50 3.851 14.266 1.047 364 HG3 PRO 50 2HG PRO 50 3.639 16.023 0.936 365 HD2 PRO 50 1HD PRO 50 5.857 14.888 1.995 366 HD3 PRO 50 2HD PRO 50 5.216 16.443 2.563 367 H ALA 51 H ALA 51 4.864 12.601 3.243 368 HA ALA 51 HA ALA 51 2.909 10.484 3.021 369 HB1 ALA 51 3HB ALA 51 4.920 9.079 2.500 370 HB2 ALA 51 1HB ALA 51 4.669 10.452 1.422 371 HB3 ALA 51 2HB ALA 51 5.900 10.534 2.683 372 H GLU 52 H GLU 52 5.604 11.320 5.168 373 HA GLU 52 HA GLU 52 5.348 9.015 6.812 374 HB2 GLU 52 1HB GLU 52 7.370 10.584 6.559 375 HB3 GLU 52 2HB GLU 52 6.540 11.630 7.703 376 HG2 GLU 52 1HG GLU 52 7.838 10.446 9.138 377 HG3 GLU 52 2HG GLU 52 6.410 9.413 9.116 378 H LYS 53 H LYS 53 4.359 12.406 7.251 379 HA LYS 53 HA LYS 53 3.176 12.192 9.743 380 HB2 LYS 53 1HB LYS 53 2.632 13.958 7.377 381 HB3 LYS 53 2HB LYS 53 1.631 14.071 8.819 382 HG2 LYS 53 1HG LYS 53 3.647 14.527 10.154 383 HG3 LYS 53 2HG LYS 53 4.611 14.481 8.677 384 HD2 LYS 53 1HD LYS 53 2.254 16.316 8.900 385 HD3 LYS 53 2HD LYS 53 3.811 16.770 9.596 386 HE2 LYS 53 1HE LYS 53 4.870 16.766 7.504 387 HE3 LYS 53 2HE LYS 53 3.569 15.846 6.750 388 HZ1 LYS 53 3HZ LYS 53 2.706 18.355 7.856 389 HZ2 LYS 53 1HZ LYS 53 2.422 17.693 6.325 390 HZ3 LYS 53 2HZ LYS 53 3.859 18.532 6.631 391 H ALA 54 H ALA 54 2.128 10.912 6.735 392 HA ALA 54 HA ALA 54 -0.645 10.636 7.478 393 HB1 ALA 54 3HB ALA 54 0.941 10.265 5.098 394 HB2 ALA 54 1HB ALA 54 -0.137 8.894 5.364 395 HB3 ALA 54 2HB ALA 54 -0.795 10.528 5.263 396 H GLY 55 H GLY 55 1.819 9.309 8.899 397 HA2 GLY 55 1HA GLY 55 1.740 7.500 10.391 398 HA3 GLY 55 2HA GLY 55 0.382 6.844 9.489 399 H LEU 56 H LEU 56 2.107 7.375 6.986 400 HA LEU 56 HA LEU 56 2.982 4.758 6.592 401 HB2 LEU 56 1HB LEU 56 2.584 6.789 4.954 402 HB3 LEU 56 2HB LEU 56 4.324 6.989 5.149 403 HG LEU 56 HG LEU 56 4.420 4.478 4.472 404 HD11 LEU 56 1HD1 LEU 56 2.422 3.559 4.122 405 HD12 LEU 56 2HD1 LEU 56 2.370 4.501 2.632 406 HD13 LEU 56 3HD1 LEU 56 1.613 5.126 4.097 407 HD21 LEU 56 3HD2 LEU 56 3.632 6.226 2.200 408 HD22 LEU 56 1HD2 LEU 56 5.015 5.144 2.371 409 HD23 LEU 56 2HD2 LEU 56 5.012 6.707 3.189 410 H LEU 57 H LEU 57 4.931 3.731 6.776 411 HA LEU 57 HA LEU 57 7.228 5.235 7.778 412 HB2 LEU 57 1HB LEU 57 5.880 2.948 9.174 413 HB3 LEU 57 2HB LEU 57 7.586 3.303 9.433 414 HG LEU 57 HG LEU 57 5.575 5.471 9.841 415 HD11 LEU 57 1HD1 LEU 57 5.466 4.716 12.248 416 HD12 LEU 57 2HD1 LEU 57 6.087 3.161 11.696 417 HD13 LEU 57 3HD1 LEU 57 4.541 3.758 11.093 418 HD21 LEU 57 3HD2 LEU 57 7.272 5.924 11.715 419 HD22 LEU 57 1HD2 LEU 57 7.770 6.227 10.050 420 HD23 LEU 57 2HD2 LEU 57 8.299 4.760 10.876 421 H ASP 58 H ASP 58 9.201 3.757 7.905 422 HA ASP 58 HA ASP 58 9.507 2.482 5.364 423 HB2 ASP 58 1HB ASP 58 11.805 2.228 5.940 424 HB3 ASP 58 2HB ASP 58 11.298 3.783 6.592 425 H GLY 59 H GLY 59 8.857 0.489 4.916 426 HA2 GLY 59 1HA GLY 59 9.280 -1.886 5.311 427 HA3 GLY 59 2HA GLY 59 9.106 -1.560 7.029 428 H ASP 60 H ASP 60 6.911 0.065 4.962 429 HA ASP 60 HA ASP 60 4.765 -1.714 5.885 430 HB2 ASP 60 1HB ASP 60 4.812 1.174 5.035 431 HB3 ASP 60 2HB ASP 60 3.304 0.269 5.126 432 H ARG 61 H ARG 61 3.639 -2.925 4.500 433 HA ARG 61 HA ARG 61 4.277 -2.710 1.655 434 HB2 ARG 61 1HB ARG 61 3.186 -4.878 3.406 435 HB3 ARG 61 2HB ARG 61 2.873 -4.931 1.677 436 HG2 ARG 61 1HG ARG 61 4.788 -6.245 2.030 437 HG3 ARG 61 2HG ARG 61 5.369 -4.724 1.348 438 HD2 ARG 61 1HD ARG 61 6.288 -4.026 3.345 439 HD3 ARG 61 2HD ARG 61 5.219 -5.042 4.311 440 HE ARG 61 HE ARG 61 7.754 -5.781 3.172 441 HH11 ARG 61 1HH1 ARG 61 4.693 -6.943 4.356 442 HH12 ARG 61 2HH1 ARG 61 5.291 -8.526 4.728 443 HH21 ARG 61 1HH2 ARG 61 8.552 -7.862 3.657 444 HH22 ARG 61 2HH2 ARG 61 7.486 -9.047 4.331 445 H VAL 62 H VAL 62 2.879 -1.965 0.192 446 HA VAL 62 HA VAL 62 0.235 -1.133 1.092 447 HB VAL 62 HB VAL 62 1.302 0.590 -0.085 448 HG11 VAL 62 1HG1 VAL 62 3.091 -0.006 -1.284 449 HG12 VAL 62 2HG1 VAL 62 2.431 -1.604 -1.639 450 HG13 VAL 62 3HG1 VAL 62 1.963 -0.216 -2.623 451 HG21 VAL 62 3HG2 VAL 62 -1.034 -0.530 -1.075 452 HG22 VAL 62 1HG2 VAL 62 -0.432 1.097 -1.390 453 HG23 VAL 62 2HG2 VAL 62 -0.063 -0.212 -2.512 454 H LEU 63 H LEU 63 -1.537 -2.274 0.699 455 HA LEU 63 HA LEU 63 -1.412 -4.594 -1.029 456 HB2 LEU 63 1HB LEU 63 -3.635 -3.497 0.685 457 HB3 LEU 63 2HB LEU 63 -3.707 -5.016 -0.207 458 HG LEU 63 HG LEU 63 -1.572 -4.556 1.845 459 HD11 LEU 63 1HD1 LEU 63 -3.454 -4.080 3.147 460 HD12 LEU 63 2HD1 LEU 63 -3.164 -5.799 3.408 461 HD13 LEU 63 3HD1 LEU 63 -4.446 -5.278 2.315 462 HD21 LEU 63 3HD2 LEU 63 -1.377 -6.477 0.346 463 HD22 LEU 63 1HD2 LEU 63 -2.983 -7.022 0.830 464 HD23 LEU 63 2HD2 LEU 63 -1.672 -6.989 2.009 465 H ARG 64 H ARG 64 -3.347 -1.617 -0.819 466 HA ARG 64 HA ARG 64 -3.821 -1.820 -3.709 467 HB2 ARG 64 1HB ARG 64 -5.951 -0.979 -1.741 468 HB3 ARG 64 2HB ARG 64 -6.134 -1.217 -3.474 469 HG2 ARG 64 1HG ARG 64 -5.851 -3.580 -3.247 470 HG3 ARG 64 2HG ARG 64 -5.430 -3.412 -1.542 471 HD2 ARG 64 1HD ARG 64 -7.592 -3.048 -0.901 472 HD3 ARG 64 2HD ARG 64 -8.038 -2.317 -2.443 473 HE ARG 64 HE ARG 64 -8.196 -5.094 -1.732 474 HH11 ARG 64 1HH1 ARG 64 -7.898 -2.832 -4.361 475 HH12 ARG 64 2HH1 ARG 64 -8.564 -3.913 -5.540 476 HH21 ARG 64 1HH2 ARG 64 -9.074 -6.528 -3.274 477 HH22 ARG 64 2HH2 ARG 64 -9.233 -6.015 -4.920 478 H ILE 65 H ILE 65 -3.744 0.085 -4.812 479 HA ILE 65 HA ILE 65 -3.033 2.463 -3.234 480 HB ILE 65 HB ILE 65 -1.446 1.460 -5.024 481 HG12 ILE 65 1HG1 ILE 65 -0.934 3.544 -3.967 482 HG13 ILE 65 2HG1 ILE 65 -0.743 3.788 -5.700 483 HG21 ILE 65 1HG2 ILE 65 -1.803 2.065 -7.277 484 HG22 ILE 65 2HG2 ILE 65 -3.319 1.356 -6.722 485 HG23 ILE 65 3HG2 ILE 65 -3.164 3.107 -6.861 486 HD11 ILE 65 3HD1 ILE 65 -2.838 4.835 -3.860 487 HD12 ILE 65 1HD1 ILE 65 -1.867 5.684 -5.062 488 HD13 ILE 65 2HD1 ILE 65 -3.192 4.640 -5.576 489 H ASN 66 H ASN 66 -4.436 4.080 -3.140 490 HA ASN 66 HA ASN 66 -6.315 5.324 -3.499 491 HB2 ASN 66 1HB ASN 66 -4.704 5.940 -5.423 492 HB3 ASN 66 2HB ASN 66 -5.780 4.989 -6.442 493 HD21 ASN 66 1HD2 ASN 66 -5.659 7.722 -4.227 494 HD22 ASN 66 2HD2 ASN 66 -6.990 8.578 -4.922 495 H GLY 67 H GLY 67 -6.647 2.403 -3.413 496 HA2 GLY 67 1HA GLY 67 -8.621 1.150 -3.407 497 HA3 GLY 67 2HA GLY 67 -9.349 2.334 -4.483 498 H VAL 68 H VAL 68 -6.285 0.651 -4.969 499 HA VAL 68 HA VAL 68 -7.502 -0.998 -7.059 500 HB VAL 68 HB VAL 68 -5.119 0.799 -7.528 501 HG11 VAL 68 1HG1 VAL 68 -6.405 -0.943 -9.598 502 HG12 VAL 68 2HG1 VAL 68 -4.805 -0.198 -9.604 503 HG13 VAL 68 3HG1 VAL 68 -5.135 -1.572 -8.549 504 HG21 VAL 68 3HG2 VAL 68 -6.450 2.177 -8.747 505 HG22 VAL 68 1HG2 VAL 68 -7.526 0.873 -9.251 506 HG23 VAL 68 2HG2 VAL 68 -7.676 1.568 -7.636 507 H PHE 69 H PHE 69 -6.838 -3.026 -6.861 508 HA PHE 69 HA PHE 69 -4.869 -3.815 -5.001 509 HB2 PHE 69 1HB PHE 69 -6.857 -5.174 -5.851 510 HB3 PHE 69 2HB PHE 69 -5.879 -5.521 -7.274 511 HD1 PHE 69 2HD PHE 69 -5.510 -5.582 -3.558 512 HD2 PHE 69 1HD PHE 69 -4.749 -7.509 -7.277 513 HE1 PHE 69 2HE PHE 69 -4.450 -7.456 -2.367 514 HE2 PHE 69 1HE PHE 69 -3.689 -9.386 -6.091 515 HZ PHE 69 HZ PHE 69 -3.537 -9.360 -3.633 516 H VAL 70 H VAL 70 -2.834 -3.093 -5.343 517 HA VAL 70 HA VAL 70 -1.601 -3.652 -7.958 518 HB VAL 70 HB VAL 70 0.110 -1.989 -7.354 519 HG11 VAL 70 1HG1 VAL 70 -2.261 -0.360 -6.889 520 HG12 VAL 70 2HG1 VAL 70 -1.136 -0.363 -8.249 521 HG13 VAL 70 3HG1 VAL 70 -2.464 -1.523 -8.199 522 HG21 VAL 70 3HG2 VAL 70 -1.078 -0.558 -5.273 523 HG22 VAL 70 1HG2 VAL 70 -1.124 -2.245 -4.761 524 HG23 VAL 70 2HG2 VAL 70 0.412 -1.499 -5.204 525 H ASP 71 H ASP 71 -1.862 -5.806 -6.300 526 HA ASP 71 HA ASP 71 0.473 -6.174 -4.670 527 HB2 ASP 71 1HB ASP 71 -0.450 -8.192 -4.047 528 HB3 ASP 71 2HB ASP 71 -1.900 -7.323 -4.543 529 H LYS 72 H LYS 72 -0.571 -7.225 -7.881 530 HA LYS 72 HA LYS 72 2.067 -8.424 -8.336 531 HB2 LYS 72 1HB LYS 72 0.224 -9.885 -8.873 532 HB3 LYS 72 2HB LYS 72 -0.528 -8.645 -9.867 533 HG2 LYS 72 1HG LYS 72 0.432 -10.029 -11.438 534 HG3 LYS 72 2HG LYS 72 1.655 -8.770 -11.249 535 HD2 LYS 72 1HD LYS 72 2.753 -10.286 -9.540 536 HD3 LYS 72 2HD LYS 72 1.657 -11.552 -10.098 537 HE2 LYS 72 1HE LYS 72 3.358 -10.027 -12.036 538 HE3 LYS 72 2HE LYS 72 4.020 -11.390 -11.135 539 HZ1 LYS 72 3HZ LYS 72 1.487 -11.979 -12.337 540 HZ2 LYS 72 1HZ LYS 72 2.945 -12.832 -12.421 541 HZ3 LYS 72 2HZ LYS 72 2.656 -11.545 -13.480 542 H GLU 73 H GLU 73 0.037 -5.773 -9.258 543 HA GLU 73 HA GLU 73 0.976 -5.011 -11.711 544 HB2 GLU 73 1HB GLU 73 0.323 -3.272 -9.329 545 HB3 GLU 73 2HB GLU 73 0.586 -2.647 -10.951 546 HG2 GLU 73 1HG GLU 73 -1.277 -4.221 -11.681 547 HG3 GLU 73 2HG GLU 73 -1.637 -4.399 -9.965 548 H GLU 74 H GLU 74 2.776 -4.076 -12.542 549 HA GLU 74 HA GLU 74 5.194 -4.254 -11.023 550 HB2 GLU 74 1HB GLU 74 4.991 -4.725 -13.488 551 HB3 GLU 74 2HB GLU 74 4.814 -2.995 -13.742 552 HG2 GLU 74 1HG GLU 74 7.069 -3.508 -14.177 553 HG3 GLU 74 2HG GLU 74 7.036 -2.707 -12.607 554 H HIS 75 H HIS 75 6.674 -2.540 -10.594 555 HA HIS 75 HA HIS 75 5.786 -0.412 -9.200 556 HB2 HIS 75 1HB HIS 75 8.132 -0.958 -9.235 557 HB3 HIS 75 2HB HIS 75 8.253 -0.539 -10.941 558 HD1 HIS 75 1HD HIS 75 7.738 1.085 -7.567 559 HD2 HIS 75 2HD HIS 75 8.803 2.098 -11.453 560 HE1 HIS 75 1HE HIS 75 8.481 3.485 -7.456 561 HE2 HIS 75 2HE HIS 75 9.040 4.101 -9.834 562 H ALA 76 H ALA 76 6.549 -0.327 -12.676 563 HA ALA 76 HA ALA 76 5.871 2.345 -13.132 564 HB1 ALA 76 3HB ALA 76 7.037 0.630 -14.675 565 HB2 ALA 76 1HB ALA 76 5.401 0.231 -15.199 566 HB3 ALA 76 2HB ALA 76 6.015 1.872 -15.399 567 H GLN 77 H GLN 77 3.879 -0.551 -13.016 568 HA GLN 77 HA GLN 77 1.521 0.676 -14.039 569 HB2 GLN 77 1HB GLN 77 2.085 -1.879 -12.564 570 HB3 GLN 77 2HB GLN 77 0.431 -1.369 -12.877 571 HG2 GLN 77 1HG GLN 77 2.566 -1.993 -14.897 572 HG3 GLN 77 2HG GLN 77 1.078 -2.886 -14.590 573 HE21 GLN 77 1HE2 GLN 77 -0.935 -1.849 -15.116 574 HE22 GLN 77 2HE2 GLN 77 -0.994 -0.686 -16.392 575 H VAL 78 H VAL 78 2.857 0.191 -10.822 576 HA VAL 78 HA VAL 78 0.526 1.077 -9.426 577 HB VAL 78 HB VAL 78 3.377 0.955 -8.434 578 HG11 VAL 78 1HG1 VAL 78 1.692 0.474 -6.316 579 HG12 VAL 78 2HG1 VAL 78 2.505 2.002 -6.663 580 HG13 VAL 78 3HG1 VAL 78 0.850 1.737 -7.214 581 HG21 VAL 78 3HG2 VAL 78 2.164 -1.187 -7.335 582 HG22 VAL 78 1HG2 VAL 78 1.332 -1.118 -8.888 583 HG23 VAL 78 2HG2 VAL 78 3.090 -1.249 -8.835 584 H VAL 79 H VAL 79 3.743 2.576 -9.822 585 HA VAL 79 HA VAL 79 3.317 5.021 -8.726 586 HB VAL 79 HB VAL 79 5.451 4.258 -9.772 587 HG11 VAL 79 1HG1 VAL 79 5.843 4.346 -12.063 588 HG12 VAL 79 2HG1 VAL 79 4.224 3.652 -11.958 589 HG13 VAL 79 3HG1 VAL 79 4.430 5.356 -12.365 590 HG21 VAL 79 3HG2 VAL 79 6.196 6.372 -9.720 591 HG22 VAL 79 1HG2 VAL 79 5.112 6.882 -11.014 592 HG23 VAL 79 2HG2 VAL 79 4.525 6.800 -9.353 593 H GLU 80 H GLU 80 2.321 3.983 -11.958 594 HA GLU 80 HA GLU 80 1.430 6.420 -12.957 595 HB2 GLU 80 1HB GLU 80 1.595 4.057 -14.064 596 HB3 GLU 80 2HB GLU 80 -0.071 3.890 -13.529 597 HG2 GLU 80 1HG GLU 80 -0.218 4.657 -15.727 598 HG3 GLU 80 2HG GLU 80 -0.516 6.081 -14.732 599 H LEU 81 H LEU 81 -0.325 3.999 -11.045 600 HA LEU 81 HA LEU 81 -2.819 5.273 -11.043 601 HB2 LEU 81 1HB LEU 81 -1.521 3.414 -9.066 602 HB3 LEU 81 2HB LEU 81 -3.185 3.971 -8.909 603 HG LEU 81 HG LEU 81 -2.333 2.609 -11.426 604 HD11 LEU 81 1HD1 LEU 81 -2.966 1.250 -8.814 605 HD12 LEU 81 2HD1 LEU 81 -1.492 1.103 -9.771 606 HD13 LEU 81 3HD1 LEU 81 -3.011 0.449 -10.385 607 HD21 LEU 81 3HD2 LEU 81 -4.888 2.893 -9.861 608 HD22 LEU 81 1HD2 LEU 81 -4.709 1.784 -11.221 609 HD23 LEU 81 2HD2 LEU 81 -4.517 3.520 -11.468 610 H VAL 82 H VAL 82 -0.102 5.507 -8.774 611 HA VAL 82 HA VAL 82 -1.207 7.109 -6.826 612 HB VAL 82 HB VAL 82 1.604 7.283 -7.921 613 HG11 VAL 82 1HG1 VAL 82 0.862 7.962 -5.114 614 HG12 VAL 82 2HG1 VAL 82 2.227 8.518 -6.085 615 HG13 VAL 82 3HG1 VAL 82 0.611 9.157 -6.386 616 HG21 VAL 82 3HG2 VAL 82 2.043 5.850 -5.840 617 HG22 VAL 82 1HG2 VAL 82 0.309 5.528 -5.861 618 HG23 VAL 82 2HG2 VAL 82 1.309 5.065 -7.238 619 H ARG 83 H ARG 83 0.359 8.153 -9.844 620 HA ARG 83 HA ARG 83 0.058 10.916 -9.431 621 HB2 ARG 83 1HB ARG 83 0.319 9.279 -11.953 622 HB3 ARG 83 2HB ARG 83 0.278 11.037 -11.955 623 HG2 ARG 83 1HG ARG 83 2.241 10.906 -10.325 624 HG3 ARG 83 2HG ARG 83 2.365 9.216 -10.816 625 HD2 ARG 83 1HD ARG 83 2.972 9.749 -12.977 626 HD3 ARG 83 2HD ARG 83 2.222 11.343 -12.903 627 HE ARG 83 HE ARG 83 4.209 11.596 -11.132 628 HH11 ARG 83 1HH1 ARG 83 4.154 10.322 -14.371 629 HH12 ARG 83 2HH1 ARG 83 5.790 10.775 -14.717 630 HH21 ARG 83 1HH2 ARG 83 6.365 12.197 -11.575 631 HH22 ARG 83 2HH2 ARG 83 7.047 11.840 -13.125 632 H LYS 84 H LYS 84 -1.834 8.825 -11.622 633 HA LYS 84 HA LYS 84 -3.799 10.590 -12.338 634 HB2 LYS 84 1HB LYS 84 -4.173 7.648 -11.746 635 HB3 LYS 84 2HB LYS 84 -5.253 8.642 -12.713 636 HG2 LYS 84 1HG LYS 84 -3.807 8.730 -14.491 637 HG3 LYS 84 2HG LYS 84 -2.383 8.453 -13.486 638 HD2 LYS 84 1HD LYS 84 -2.571 6.415 -14.527 639 HD3 LYS 84 2HD LYS 84 -3.523 6.124 -13.069 640 HE2 LYS 84 1HE LYS 84 -5.532 6.218 -14.206 641 HE3 LYS 84 2HE LYS 84 -4.860 7.178 -15.523 642 HZ1 LYS 84 3HZ LYS 84 -5.379 4.661 -15.850 643 HZ2 LYS 84 1HZ LYS 84 -3.871 4.446 -15.114 644 HZ3 LYS 84 2HZ LYS 84 -3.995 5.341 -16.543 645 H SER 85 H SER 85 -3.631 8.641 -9.394 646 HA SER 85 HA SER 85 -6.040 8.846 -8.250 647 HB2 SER 85 1HB SER 85 -3.457 9.547 -6.833 648 HB3 SER 85 2HB SER 85 -4.952 9.029 -6.055 649 HG SER 85 HG SER 85 -3.521 7.284 -6.317 650 H GLY 86 H GLY 86 -3.625 11.456 -7.897 651 HA2 GLY 86 1HA GLY 86 -4.566 13.720 -8.541 652 HA3 GLY 86 2HA GLY 86 -5.872 13.315 -7.438 653 H ASN 87 H ASN 87 -4.870 15.560 -6.763 654 HA ASN 87 HA ASN 87 -2.507 15.882 -5.445 655 HB2 ASN 87 1HB ASN 87 -5.211 16.949 -4.603 656 HB3 ASN 87 2HB ASN 87 -3.664 17.559 -4.023 657 HD21 ASN 87 1HD2 ASN 87 -2.133 18.238 -5.784 658 HD22 ASN 87 2HD2 ASN 87 -2.811 19.112 -7.111 659 H SER 88 H SER 88 -5.421 14.313 -4.225 660 HA SER 88 HA SER 88 -3.936 13.539 -1.803 661 HB2 SER 88 1HB SER 88 -6.028 13.309 -0.666 662 HB3 SER 88 2HB SER 88 -6.085 14.849 -1.523 663 HG SER 88 HG SER 88 -7.972 13.366 -1.698 664 H VAL 89 H VAL 89 -3.219 11.525 -1.763 665 HA VAL 89 HA VAL 89 -4.655 9.481 -3.329 666 HB VAL 89 HB VAL 89 -1.737 9.474 -2.548 667 HG11 VAL 89 1HG1 VAL 89 -3.331 7.637 -4.331 668 HG12 VAL 89 2HG1 VAL 89 -1.581 7.581 -4.112 669 HG13 VAL 89 3HG1 VAL 89 -2.653 7.238 -2.753 670 HG21 VAL 89 3HG2 VAL 89 -2.106 9.546 -5.356 671 HG22 VAL 89 1HG2 VAL 89 -3.070 10.845 -4.653 672 HG23 VAL 89 2HG2 VAL 89 -1.341 10.752 -4.321 673 H THR 90 H THR 90 -4.794 7.356 -2.450 674 HA THR 90 HA THR 90 -4.545 7.279 0.487 675 HB THR 90 HB THR 90 -6.575 5.735 -1.129 676 HG1 THR 90 1HG THR 90 -7.965 7.435 0.038 677 HG21 THR 90 3HG2 THR 90 -6.599 6.400 1.807 678 HG22 THR 90 1HG2 THR 90 -5.866 4.928 1.172 679 HG23 THR 90 2HG2 THR 90 -7.591 5.223 0.948 680 H LEU 91 H LEU 91 -3.832 5.373 1.447 681 HA LEU 91 HA LEU 91 -2.970 3.202 -0.317 682 HB2 LEU 91 1HB LEU 91 -1.155 4.397 1.765 683 HB3 LEU 91 2HB LEU 91 -0.766 3.134 0.600 684 HG LEU 91 HG LEU 91 -1.437 5.960 -0.198 685 HD11 LEU 91 1HD1 LEU 91 0.496 6.293 1.036 686 HD12 LEU 91 2HD1 LEU 91 1.113 6.022 -0.593 687 HD13 LEU 91 3HD1 LEU 91 1.169 4.722 0.597 688 HD21 LEU 91 3HD2 LEU 91 -1.130 3.556 -1.638 689 HD22 LEU 91 1HD2 LEU 91 0.300 4.536 -1.962 690 HD23 LEU 91 2HD2 LEU 91 -1.308 5.192 -2.274 691 H LEU 92 H LEU 92 -2.963 1.187 0.620 692 HA LEU 92 HA LEU 92 -4.002 1.060 3.374 693 HB2 LEU 92 1HB LEU 92 -4.490 -0.661 0.966 694 HB3 LEU 92 2HB LEU 92 -4.801 -1.255 2.596 695 HG LEU 92 HG LEU 92 -6.121 1.142 1.323 696 HD11 LEU 92 1HD1 LEU 92 -7.427 -1.464 2.027 697 HD12 LEU 92 2HD1 LEU 92 -6.691 -1.194 0.448 698 HD13 LEU 92 3HD1 LEU 92 -8.022 -0.170 0.987 699 HD21 LEU 92 3HD2 LEU 92 -7.657 0.457 3.435 700 HD22 LEU 92 1HD2 LEU 92 -6.401 1.695 3.487 701 HD23 LEU 92 2HD2 LEU 92 -6.055 0.064 4.061 702 H VAL 93 H VAL 93 -2.392 0.573 4.719 703 HA VAL 93 HA VAL 93 -0.427 -1.457 3.883 704 HB VAL 93 HB VAL 93 1.081 -0.530 5.576 705 HG11 VAL 93 1HG1 VAL 93 1.200 0.328 3.300 706 HG12 VAL 93 2HG1 VAL 93 -0.010 1.554 3.685 707 HG13 VAL 93 3HG1 VAL 93 1.572 1.597 4.465 708 HG21 VAL 93 3HG2 VAL 93 0.199 0.601 7.280 709 HG22 VAL 93 1HG2 VAL 93 -0.010 1.961 6.177 710 HG23 VAL 93 2HG2 VAL 93 -1.329 0.817 6.426 711 H LEU 94 H LEU 94 -0.125 -3.260 5.090 712 HA LEU 94 HA LEU 94 -1.975 -3.661 7.333 713 HB2 LEU 94 1HB LEU 94 -1.943 -5.188 5.289 714 HB3 LEU 94 2HB LEU 94 -0.411 -5.796 5.913 715 HG LEU 94 HG LEU 94 -1.570 -6.527 7.965 716 HD11 LEU 94 1HD1 LEU 94 -3.747 -5.015 6.754 717 HD12 LEU 94 2HD1 LEU 94 -3.492 -5.495 8.432 718 HD13 LEU 94 3HD1 LEU 94 -4.226 -6.624 7.293 719 HD21 LEU 94 3HD2 LEU 94 -2.847 -7.591 5.449 720 HD22 LEU 94 1HD2 LEU 94 -2.677 -8.432 6.990 721 HD23 LEU 94 2HD2 LEU 94 -1.246 -8.042 6.037 722 H ASP 95 H ASP 95 -1.196 -4.999 9.150 723 HA ASP 95 HA ASP 95 1.267 -3.962 10.162 724 HB2 ASP 95 1HB ASP 95 -0.819 -5.852 11.204 725 HB3 ASP 95 2HB ASP 95 0.717 -5.678 12.050 726 H GLY 96 H GLY 96 3.226 -4.932 10.394 727 HA2 GLY 96 1HA GLY 96 4.246 -6.705 8.648 728 HA3 GLY 96 2HA GLY 96 4.842 -6.592 10.297 729 H ASP 97 H ASP 97 3.548 -7.871 11.934 730 HA ASP 97 HA ASP 97 3.677 -10.558 11.427 731 HB2 ASP 97 1HB ASP 97 3.404 -9.475 13.675 732 HB3 ASP 97 2HB ASP 97 1.689 -9.291 13.319 733 H SER 98 H SER 98 0.679 -8.624 11.437 734 HA SER 98 HA SER 98 -1.161 -10.484 10.723 735 HB2 SER 98 1HB SER 98 -0.945 -7.660 9.654 736 HB3 SER 98 2HB SER 98 -2.389 -8.665 9.542 737 HG SER 98 HG SER 98 -2.847 -8.016 11.475 738 H TYR 99 H TYR 99 0.782 -8.608 8.396 739 HA TYR 99 HA TYR 99 -0.110 -9.722 6.049 740 HB2 TYR 99 1HB TYR 99 1.586 -7.842 6.377 741 HB3 TYR 99 2HB TYR 99 2.802 -9.104 6.536 742 HD1 TYR 99 2HD TYR 99 3.260 -10.617 4.603 743 HD2 TYR 99 1HD TYR 99 0.743 -7.205 4.249 744 HE1 TYR 99 2HE TYR 99 3.494 -10.705 2.156 745 HE2 TYR 99 1HE TYR 99 0.969 -7.284 1.802 746 HH TYR 99 HH TYR 99 2.978 -8.359 0.173 747 H GLU 100 H GLU 100 2.702 -10.842 7.940 748 HA GLU 100 HA GLU 100 3.370 -13.055 6.439 749 HB2 GLU 100 1HB GLU 100 3.479 -12.840 9.452 750 HB3 GLU 100 2HB GLU 100 4.402 -13.961 8.462 751 HG2 GLU 100 1HG GLU 100 5.466 -11.991 7.361 752 HG3 GLU 100 2HG GLU 100 4.658 -10.967 8.547 753 H LYS 101 H LYS 101 1.190 -12.985 9.258 754 HA LYS 101 HA LYS 101 0.426 -15.629 9.303 755 HB2 LYS 101 1HB LYS 101 -0.255 -14.103 11.044 756 HB3 LYS 101 2HB LYS 101 -1.214 -13.164 9.907 757 HG2 LYS 101 1HG LYS 101 -2.731 -15.043 9.611 758 HG3 LYS 101 2HG LYS 101 -1.757 -16.014 10.718 759 HD2 LYS 101 1HD LYS 101 -3.003 -13.392 11.514 760 HD3 LYS 101 2HD LYS 101 -3.836 -14.937 11.693 761 HE2 LYS 101 1HE LYS 101 -1.115 -14.385 12.857 762 HE3 LYS 101 2HE LYS 101 -2.615 -14.093 13.736 763 HZ1 LYS 101 3HZ LYS 101 -2.153 -16.200 14.412 764 HZ2 LYS 101 1HZ LYS 101 -1.369 -16.629 12.975 765 HZ3 LYS 101 2HZ LYS 101 -3.058 -16.567 13.031 766 H ALA 102 H ALA 102 -0.993 -12.994 7.394 767 HA ALA 102 HA ALA 102 -3.078 -14.423 6.219 768 HB1 ALA 102 3HB ALA 102 -1.900 -12.500 4.399 769 HB2 ALA 102 1HB ALA 102 -3.480 -12.493 5.184 770 HB3 ALA 102 2HB ALA 102 -2.070 -11.853 6.030 771 H VAL 103 H VAL 103 0.174 -13.780 4.900 772 HA VAL 103 HA VAL 103 -0.024 -15.195 2.540 773 HB VAL 103 HB VAL 103 2.407 -14.967 4.321 774 HG11 VAL 103 1HG1 VAL 103 3.727 -15.723 2.603 775 HG12 VAL 103 2HG1 VAL 103 2.285 -16.712 2.362 776 HG13 VAL 103 3HG1 VAL 103 2.553 -15.283 1.362 777 HG21 VAL 103 3HG2 VAL 103 1.355 -12.814 3.653 778 HG22 VAL 103 1HG2 VAL 103 2.987 -13.031 3.022 779 HG23 VAL 103 2HG2 VAL 103 1.595 -13.267 1.965 780 H LYS 104 H LYS 104 0.857 -16.404 5.754 781 HA LYS 104 HA LYS 104 1.422 -19.051 4.966 782 HB2 LYS 104 1HB LYS 104 2.154 -18.149 7.115 783 HB3 LYS 104 2HB LYS 104 0.481 -17.983 7.634 784 HG2 LYS 104 1HG LYS 104 1.241 -19.926 8.678 785 HG3 LYS 104 2HG LYS 104 0.300 -20.502 7.300 786 HD2 LYS 104 1HD LYS 104 2.183 -21.808 7.118 787 HD3 LYS 104 2HD LYS 104 2.623 -20.446 6.085 788 HE2 LYS 104 1HE LYS 104 3.924 -19.462 7.853 789 HE3 LYS 104 2HE LYS 104 3.373 -20.686 8.996 790 HZ1 LYS 104 3HZ LYS 104 5.311 -20.934 6.803 791 HZ2 LYS 104 1HZ LYS 104 4.427 -22.298 7.273 792 HZ3 LYS 104 2HZ LYS 104 5.411 -21.500 8.394 793 H ASN 105 H ASN 105 -1.543 -17.511 6.147 794 HA ASN 105 HA ASN 105 -3.030 -19.990 5.775 795 HB2 ASN 105 1HB ASN 105 -3.964 -17.290 6.776 796 HB3 ASN 105 2HB ASN 105 -4.907 -18.778 6.791 797 HD21 ASN 105 1HD2 ASN 105 -4.287 -17.181 9.043 798 HD22 ASN 105 2HD2 ASN 105 -3.325 -18.136 10.115 799 H GLN 106 H GLN 106 -1.891 -18.149 3.594 800 HA GLN 106 HA GLN 106 -2.595 -17.100 1.657 801 HB2 GLN 106 1HB GLN 106 -3.874 -19.809 1.773 802 HB3 GLN 106 2HB GLN 106 -4.158 -18.763 0.388 803 HG2 GLN 106 1HG GLN 106 -1.363 -19.281 1.279 804 HG3 GLN 106 2HG GLN 106 -2.228 -20.511 0.358 805 HE21 GLN 106 1HE2 GLN 106 -1.487 -20.446 -1.640 806 HE22 GLN 106 2HE2 GLN 106 -1.284 -19.025 -2.601 807 H VAL 107 H VAL 107 -3.998 -15.968 3.740 808 HA VAL 107 HA VAL 107 -6.823 -16.031 3.274 809 HB VAL 107 HB VAL 107 -5.166 -14.029 4.816 810 HG11 VAL 107 1HG1 VAL 107 -8.017 -14.458 5.448 811 HG12 VAL 107 2HG1 VAL 107 -7.056 -12.978 5.474 812 HG13 VAL 107 3HG1 VAL 107 -7.673 -13.604 3.944 813 HG21 VAL 107 3HG2 VAL 107 -6.723 -15.653 6.514 814 HG22 VAL 107 1HG2 VAL 107 -5.909 -16.731 5.381 815 HG23 VAL 107 2HG2 VAL 107 -4.966 -15.611 6.364 816 H ASP 108 H ASP 108 -7.907 -15.008 1.736 817 HA ASP 108 HA ASP 108 -6.859 -13.555 -0.324 818 HB2 ASP 108 1HB ASP 108 -9.580 -12.820 0.696 819 HB3 ASP 108 2HB ASP 108 -9.037 -13.051 -0.964 820 H LEU 109 H LEU 109 -5.858 -11.668 -0.458 821 HA LEU 109 HA LEU 109 -6.076 -9.762 1.735 822 HB2 LEU 109 1HB LEU 109 -4.256 -9.910 -0.659 823 HB3 LEU 109 2HB LEU 109 -4.227 -8.593 0.512 824 HG LEU 109 HG LEU 109 -3.676 -11.485 1.174 825 HD11 LEU 109 1HD1 LEU 109 -1.733 -11.107 0.128 826 HD12 LEU 109 2HD1 LEU 109 -1.342 -10.136 1.547 827 HD13 LEU 109 3HD1 LEU 109 -1.975 -9.360 0.095 828 HD21 LEU 109 3HD2 LEU 109 -2.932 -10.659 3.297 829 HD22 LEU 109 1HD2 LEU 109 -4.564 -10.057 3.010 830 HD23 LEU 109 2HD2 LEU 109 -3.178 -8.988 2.789 831 H LYS 110 H LYS 110 -7.028 -10.144 -1.582 832 HA LYS 110 HA LYS 110 -7.483 -7.494 -2.317 833 HB2 LYS 110 1HB LYS 110 -8.807 -10.077 -3.114 834 HB3 LYS 110 2HB LYS 110 -9.315 -8.537 -3.796 835 HG2 LYS 110 1HG LYS 110 -7.144 -8.171 -4.742 836 HG3 LYS 110 2HG LYS 110 -6.500 -9.595 -3.923 837 HD2 LYS 110 1HD LYS 110 -7.993 -11.026 -5.222 838 HD3 LYS 110 2HD LYS 110 -8.669 -9.606 -6.024 839 HE2 LYS 110 1HE LYS 110 -6.305 -9.097 -6.792 840 HE3 LYS 110 2HE LYS 110 -5.880 -10.716 -6.237 841 HZ1 LYS 110 3HZ LYS 110 -7.848 -11.427 -7.719 842 HZ2 LYS 110 1HZ LYS 110 -6.369 -11.049 -8.448 843 HZ3 LYS 110 2HZ LYS 110 -7.632 -9.925 -8.466 844 H GLU 111 H GLU 111 -9.189 -9.527 -0.112 845 HA GLU 111 HA GLU 111 -11.649 -8.056 -0.150 846 HB2 GLU 111 1HB GLU 111 -10.589 -9.947 1.957 847 HB3 GLU 111 2HB GLU 111 -12.251 -9.396 1.798 848 HG2 GLU 111 1HG GLU 111 -12.287 -10.476 -0.465 849 HG3 GLU 111 2HG GLU 111 -10.724 -11.188 -0.069 850 H LEU 112 H LEU 112 -8.752 -8.079 1.868 851 HA LEU 112 HA LEU 112 -9.401 -6.586 4.014 852 HB2 LEU 112 1HB LEU 112 -6.970 -6.030 2.324 853 HB3 LEU 112 2HB LEU 112 -7.156 -5.718 4.049 854 HG LEU 112 HG LEU 112 -7.151 -8.470 2.815 855 HD11 LEU 112 1HD1 LEU 112 -4.965 -8.030 2.508 856 HD12 LEU 112 2HD1 LEU 112 -4.872 -8.339 4.241 857 HD13 LEU 112 3HD1 LEU 112 -4.963 -6.682 3.645 858 HD21 LEU 112 3HD2 LEU 112 -8.295 -8.556 4.869 859 HD22 LEU 112 1HD2 LEU 112 -7.169 -7.435 5.637 860 HD23 LEU 112 2HD2 LEU 112 -6.647 -9.071 5.232 861 H ASP 113 H ASP 113 -10.979 -5.061 3.830 862 HA ASP 113 HA ASP 113 -10.280 -2.655 2.282 863 HB2 ASP 113 1HB ASP 113 -12.851 -2.364 2.107 864 HB3 ASP 113 2HB ASP 113 -12.056 -3.507 1.028 865 H GLN 114 H GLN 114 -9.510 -1.465 3.976 866 HA GLN 114 HA GLN 114 -10.299 -1.345 6.572 867 HB2 GLN 114 1HB GLN 114 -8.472 -0.007 5.320 868 HB3 GLN 114 2HB GLN 114 -9.727 1.201 5.082 869 HG2 GLN 114 1HG GLN 114 -8.880 0.147 7.768 870 HG3 GLN 114 2HG GLN 114 -8.257 1.623 7.033 871 HE21 GLN 114 1HE2 GLN 114 -10.758 0.207 8.840 872 HE22 GLN 114 2HE2 GLN 114 -11.779 1.594 8.963 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -29.658 -34.405 7.183 2 HA2 GLY 1 1HA GLY 1 -28.336 -32.367 8.447 3 HA3 GLY 1 2HA GLY 1 -28.435 -33.999 9.091 4 H SER 2 H SER 2 -26.694 -32.552 6.338 5 HA SER 2 HA SER 2 -24.233 -33.778 7.398 6 HB2 SER 2 1HB SER 2 -25.051 -34.620 5.175 7 HB3 SER 2 2HB SER 2 -24.785 -33.002 4.526 8 HG SER 2 HG SER 2 -23.036 -34.856 4.570 9 H SER 3 H SER 3 -22.222 -32.611 6.981 10 HA SER 3 HA SER 3 -22.513 -29.824 7.628 11 HB2 SER 3 1HB SER 3 -20.163 -31.680 7.328 12 HB3 SER 3 2HB SER 3 -19.928 -29.942 7.512 13 HG SER 3 HG SER 3 -20.250 -30.209 9.559 14 H GLY 4 H GLY 4 -22.804 -28.297 6.152 15 HA2 GLY 4 1HA GLY 4 -22.412 -28.716 3.372 16 HA3 GLY 4 2HA GLY 4 -22.783 -27.181 4.142 17 H SER 5 H SER 5 -20.807 -26.330 5.483 18 HA SER 5 HA SER 5 -18.205 -26.957 4.518 19 HB2 SER 5 1HB SER 5 -19.432 -25.621 2.616 20 HB3 SER 5 2HB SER 5 -19.080 -24.229 3.640 21 HG SER 5 HG SER 5 -16.953 -24.531 3.352 22 H SER 6 H SER 6 -16.560 -25.764 5.569 23 HA SER 6 HA SER 6 -17.421 -23.833 7.595 24 HB2 SER 6 1HB SER 6 -16.151 -24.972 9.352 25 HB3 SER 6 2HB SER 6 -17.391 -26.043 8.701 26 HG SER 6 HG SER 6 -15.704 -26.944 7.361 27 H GLY 7 H GLY 7 -15.580 -22.670 8.581 28 HA2 GLY 7 1HA GLY 7 -13.300 -21.973 8.537 29 HA3 GLY 7 2HA GLY 7 -13.136 -22.717 6.953 30 H MET 8 H MET 8 -15.528 -20.403 8.209 31 HA MET 8 HA MET 8 -15.851 -18.901 5.951 32 HB2 MET 8 1HB MET 8 -16.931 -18.740 8.352 33 HB3 MET 8 2HB MET 8 -15.736 -17.468 8.572 34 HG2 MET 8 1HG MET 8 -16.721 -16.083 7.039 35 HG3 MET 8 2HG MET 8 -17.455 -17.414 6.147 36 HE1 MET 8 3HE MET 8 -19.760 -14.638 8.450 37 HE2 MET 8 1HE MET 8 -18.088 -14.489 7.908 38 HE3 MET 8 2HE MET 8 -19.365 -14.837 6.742 39 H ALA 9 H ALA 9 -14.702 -17.457 4.822 40 HA ALA 9 HA ALA 9 -12.002 -17.154 4.966 41 HB1 ALA 9 3HB ALA 9 -13.350 -16.402 3.072 42 HB2 ALA 9 1HB ALA 9 -13.948 -15.048 4.031 43 HB3 ALA 9 2HB ALA 9 -12.238 -15.143 3.608 44 H SER 10 H SER 10 -10.549 -15.681 5.842 45 HA SER 10 HA SER 10 -11.550 -14.244 8.203 46 HB2 SER 10 1HB SER 10 -8.993 -15.633 7.559 47 HB3 SER 10 2HB SER 10 -8.912 -14.228 8.622 48 HG SER 10 HG SER 10 -10.589 -15.298 9.880 49 H THR 11 H THR 11 -10.900 -12.122 8.626 50 HA THR 11 HA THR 11 -9.546 -10.700 6.441 51 HB THR 11 HB THR 11 -11.138 -8.836 6.618 52 HG1 THR 11 1HG THR 11 -12.580 -8.806 8.166 53 HG21 THR 11 3HG2 THR 11 -12.270 -11.547 5.959 54 HG22 THR 11 1HG2 THR 11 -11.602 -10.347 4.853 55 HG23 THR 11 2HG2 THR 11 -13.147 -10.049 5.651 56 H PHE 12 H PHE 12 -8.082 -9.231 7.089 57 HA PHE 12 HA PHE 12 -7.699 -8.891 9.962 58 HB2 PHE 12 1HB PHE 12 -5.909 -8.098 7.656 59 HB3 PHE 12 2HB PHE 12 -5.487 -8.015 9.363 60 HD1 PHE 12 2HD PHE 12 -6.381 -10.357 6.637 61 HD2 PHE 12 1HD PHE 12 -4.604 -9.873 10.474 62 HE1 PHE 12 2HE PHE 12 -5.538 -12.666 6.534 63 HE2 PHE 12 1HE PHE 12 -3.758 -12.181 10.378 64 HZ PHE 12 HZ PHE 12 -4.226 -13.581 8.406 65 H ASN 13 H ASN 13 -6.596 -6.588 10.406 66 HA ASN 13 HA ASN 13 -8.454 -4.570 9.328 67 HB2 ASN 13 1HB ASN 13 -7.219 -4.598 12.089 68 HB3 ASN 13 2HB ASN 13 -8.412 -3.454 11.481 69 HD21 ASN 13 1HD2 ASN 13 -10.305 -4.871 10.353 70 HD22 ASN 13 2HD2 ASN 13 -11.014 -6.001 11.451 71 HA PRO 14 HA PRO 14 -4.278 -3.175 8.065 72 HB2 PRO 14 1HB PRO 14 -5.151 -1.936 5.812 73 HB3 PRO 14 2HB PRO 14 -4.800 -3.667 5.882 74 HG2 PRO 14 1HG PRO 14 -7.437 -2.260 6.058 75 HG3 PRO 14 2HG PRO 14 -7.011 -3.730 5.162 76 HD2 PRO 14 1HD PRO 14 -8.296 -3.797 7.545 77 HD3 PRO 14 2HD PRO 14 -7.164 -5.066 7.034 78 H ARG 15 H ARG 15 -3.596 -0.899 7.370 79 HA ARG 15 HA ARG 15 -5.183 1.077 8.874 80 HB2 ARG 15 1HB ARG 15 -2.239 0.593 8.701 81 HB3 ARG 15 2HB ARG 15 -2.813 2.236 8.957 82 HG2 ARG 15 1HG ARG 15 -3.575 1.794 11.056 83 HG3 ARG 15 2HG ARG 15 -3.909 0.099 10.697 84 HD2 ARG 15 1HD ARG 15 -2.068 0.072 12.159 85 HD3 ARG 15 2HD ARG 15 -1.393 -0.211 10.556 86 HE ARG 15 HE ARG 15 -1.381 2.555 11.257 87 HH11 ARG 15 1HH1 ARG 15 0.300 -0.462 11.697 88 HH12 ARG 15 2HH1 ARG 15 1.829 0.287 12.019 89 HH21 ARG 15 1HH2 ARG 15 0.626 3.553 11.680 90 HH22 ARG 15 2HH2 ARG 15 2.013 2.571 12.010 91 H GLU 16 H GLU 16 -6.066 2.608 7.665 92 HA GLU 16 HA GLU 16 -5.210 2.997 4.930 93 HB2 GLU 16 1HB GLU 16 -7.636 2.969 5.800 94 HB3 GLU 16 2HB GLU 16 -7.317 4.609 6.348 95 HG2 GLU 16 1HG GLU 16 -6.676 5.172 3.993 96 HG3 GLU 16 2HG GLU 16 -7.265 3.577 3.526 97 H CYS 17 H CYS 17 -4.055 4.657 4.139 98 HA CYS 17 HA CYS 17 -3.403 6.874 5.965 99 HB2 CYS 17 1HB CYS 17 -1.518 5.565 3.994 100 HB3 CYS 17 2HB CYS 17 -1.133 6.911 5.059 101 HG CYS 17 HG CYS 17 -1.039 3.662 5.661 102 H LYS 18 H LYS 18 -4.290 8.665 5.194 103 HA LYS 18 HA LYS 18 -4.670 8.981 2.315 104 HB2 LYS 18 1HB LYS 18 -5.821 10.286 4.748 105 HB3 LYS 18 2HB LYS 18 -5.863 11.146 3.215 106 HG2 LYS 18 1HG LYS 18 -7.249 9.549 2.222 107 HG3 LYS 18 2HG LYS 18 -6.903 8.347 3.468 108 HD2 LYS 18 1HD LYS 18 -7.975 10.134 5.057 109 HD3 LYS 18 2HD LYS 18 -8.711 10.722 3.564 110 HE2 LYS 18 1HE LYS 18 -9.318 8.192 3.238 111 HE3 LYS 18 2HE LYS 18 -9.096 8.126 4.985 112 HZ1 LYS 18 3HZ LYS 18 -11.022 9.798 3.475 113 HZ2 LYS 18 1HZ LYS 18 -10.695 10.021 5.120 114 HZ3 LYS 18 2HZ LYS 18 -11.369 8.567 4.581 115 H LEU 19 H LEU 19 -2.809 9.650 1.390 116 HA LEU 19 HA LEU 19 -1.115 11.615 2.661 117 HB2 LEU 19 1HB LEU 19 -0.993 9.928 0.224 118 HB3 LEU 19 2HB LEU 19 -0.044 11.413 0.233 119 HG LEU 19 HG LEU 19 0.955 10.549 2.425 120 HD11 LEU 19 1HD1 LEU 19 0.194 7.842 1.431 121 HD12 LEU 19 2HD1 LEU 19 -0.912 8.727 2.481 122 HD13 LEU 19 3HD1 LEU 19 0.718 8.347 3.038 123 HD21 LEU 19 3HD2 LEU 19 2.664 9.381 1.271 124 HD22 LEU 19 1HD2 LEU 19 2.050 10.602 0.157 125 HD23 LEU 19 2HD2 LEU 19 1.566 8.916 -0.029 126 H SER 20 H SER 20 -0.724 13.705 1.953 127 HA SER 20 HA SER 20 -2.541 14.761 -0.105 128 HB2 SER 20 1HB SER 20 -3.458 15.287 2.131 129 HB3 SER 20 2HB SER 20 -1.945 16.091 2.551 130 HG SER 20 HG SER 20 -2.869 17.784 1.720 131 H LYS 21 H LYS 21 -1.606 16.066 -1.555 132 HA LYS 21 HA LYS 21 0.933 17.365 -0.907 133 HB2 LYS 21 1HB LYS 21 2.038 16.559 -2.876 134 HB3 LYS 21 2HB LYS 21 1.421 15.165 -1.998 135 HG2 LYS 21 1HG LYS 21 -0.179 14.703 -3.581 136 HG3 LYS 21 2HG LYS 21 -0.226 16.366 -4.173 137 HD2 LYS 21 1HD LYS 21 1.959 16.080 -5.204 138 HD3 LYS 21 2HD LYS 21 2.063 14.438 -4.566 139 HE2 LYS 21 1HE LYS 21 1.382 14.189 -6.802 140 HE3 LYS 21 2HE LYS 21 -0.084 13.972 -5.846 141 HZ1 LYS 21 3HZ LYS 21 0.199 16.694 -6.468 142 HZ2 LYS 21 1HZ LYS 21 -1.020 15.625 -6.953 143 HZ3 LYS 21 2HZ LYS 21 0.372 15.805 -7.897 144 H GLN 22 H GLN 22 1.563 18.973 -2.582 145 HA GLN 22 HA GLN 22 -0.761 20.502 -3.354 146 HB2 GLN 22 1HB GLN 22 2.200 21.046 -3.587 147 HB3 GLN 22 2HB GLN 22 0.958 22.173 -4.117 148 HG2 GLN 22 1HG GLN 22 1.354 23.002 -2.046 149 HG3 GLN 22 2HG GLN 22 0.093 21.835 -1.649 150 HE21 GLN 22 1HE2 GLN 22 0.517 20.717 0.100 151 HE22 GLN 22 2HE2 GLN 22 2.078 20.221 0.648 152 H GLU 23 H GLU 23 -0.513 21.684 -5.588 153 HA GLU 23 HA GLU 23 -0.695 19.623 -7.579 154 HB2 GLU 23 1HB GLU 23 -0.802 22.609 -8.012 155 HB3 GLU 23 2HB GLU 23 -1.439 21.355 -9.067 156 HG2 GLU 23 1HG GLU 23 -3.330 22.152 -8.018 157 HG3 GLU 23 2HG GLU 23 -2.925 20.730 -7.057 158 H GLY 24 H GLY 24 1.534 18.878 -7.449 159 HA2 GLY 24 1HA GLY 24 3.269 18.861 -9.210 160 HA3 GLY 24 2HA GLY 24 3.350 20.605 -9.017 161 H GLN 25 H GLN 25 2.961 18.702 -6.173 162 HA GLN 25 HA GLN 25 5.787 19.188 -5.499 163 HB2 GLN 25 1HB GLN 25 4.113 20.479 -4.170 164 HB3 GLN 25 2HB GLN 25 3.458 18.955 -3.588 165 HG2 GLN 25 1HG GLN 25 4.854 19.622 -1.873 166 HG3 GLN 25 2HG GLN 25 5.847 18.478 -2.775 167 HE21 GLN 25 1HE2 GLN 25 7.629 19.202 -3.881 168 HE22 GLN 25 2HE2 GLN 25 8.263 20.799 -3.705 169 H ASN 26 H ASN 26 6.953 17.587 -4.432 170 HA ASN 26 HA ASN 26 6.234 14.912 -5.077 171 HB2 ASN 26 1HB ASN 26 8.396 15.643 -3.117 172 HB3 ASN 26 2HB ASN 26 8.346 14.295 -4.250 173 HD21 ASN 26 1HD2 ASN 26 9.326 17.495 -3.719 174 HD22 ASN 26 2HD2 ASN 26 9.942 17.822 -5.300 175 H TYR 27 H TYR 27 6.448 13.157 -3.324 176 HA TYR 27 HA TYR 27 4.601 13.872 -1.161 177 HB2 TYR 27 1HB TYR 27 5.156 11.385 -2.695 178 HB3 TYR 27 2HB TYR 27 4.650 11.203 -1.019 179 HD1 TYR 27 2HD TYR 27 2.625 13.081 -0.522 180 HD2 TYR 27 1HD TYR 27 3.424 11.036 -4.167 181 HE1 TYR 27 2HE TYR 27 0.278 13.375 -1.195 182 HE2 TYR 27 1HE TYR 27 1.080 11.326 -4.851 183 HH TYR 27 HH TYR 27 -0.918 12.108 -4.293 184 H GLY 28 H GLY 28 7.804 12.657 -1.796 185 HA2 GLY 28 1HA GLY 28 9.523 13.036 -0.138 186 HA3 GLY 28 2HA GLY 28 8.324 12.712 1.106 187 H PHE 29 H PHE 29 7.247 10.385 -0.330 188 HA PHE 29 HA PHE 29 9.420 8.505 0.301 189 HB2 PHE 29 1HB PHE 29 7.872 7.011 1.144 190 HB3 PHE 29 2HB PHE 29 7.111 8.543 1.560 191 HD1 PHE 29 1HD PHE 29 5.462 9.490 -0.246 192 HD2 PHE 29 2HD PHE 29 6.626 5.408 0.068 193 HE1 PHE 29 1HE PHE 29 3.438 8.822 -1.476 194 HE2 PHE 29 2HE PHE 29 4.605 4.734 -1.163 195 HZ PHE 29 HZ PHE 29 3.008 6.442 -1.937 196 H PHE 30 H PHE 30 9.345 6.424 -0.922 197 HA PHE 30 HA PHE 30 8.304 6.732 -3.647 198 HB2 PHE 30 1HB PHE 30 11.150 6.070 -2.889 199 HB3 PHE 30 2HB PHE 30 10.486 5.751 -4.488 200 HD1 PHE 30 1HD PHE 30 9.638 7.687 -5.853 201 HD2 PHE 30 2HD PHE 30 11.929 8.199 -2.302 202 HE1 PHE 30 1HE PHE 30 10.180 9.987 -6.538 203 HE2 PHE 30 2HE PHE 30 12.473 10.500 -2.981 204 HZ PHE 30 HZ PHE 30 11.598 11.397 -5.101 205 H LEU 31 H LEU 31 8.358 4.661 -4.873 206 HA LEU 31 HA LEU 31 7.696 2.447 -3.067 207 HB2 LEU 31 1HB LEU 31 6.957 3.050 -5.917 208 HB3 LEU 31 2HB LEU 31 6.665 1.477 -5.179 209 HG LEU 31 HG LEU 31 5.574 3.948 -3.895 210 HD11 LEU 31 1HD1 LEU 31 4.556 4.398 -5.865 211 HD12 LEU 31 2HD1 LEU 31 3.454 3.141 -5.304 212 HD13 LEU 31 3HD1 LEU 31 4.727 2.747 -6.460 213 HD21 LEU 31 3HD2 LEU 31 4.034 1.455 -4.049 214 HD22 LEU 31 1HD2 LEU 31 4.352 2.514 -2.675 215 HD23 LEU 31 2HD2 LEU 31 5.561 1.331 -3.174 216 H ARG 32 H ARG 32 9.535 1.344 -2.660 217 HA ARG 32 HA ARG 32 11.258 0.614 -4.923 218 HB2 ARG 32 1HB ARG 32 11.749 0.539 -1.942 219 HB3 ARG 32 2HB ARG 32 12.885 -0.061 -3.142 220 HG2 ARG 32 1HG ARG 32 11.885 2.770 -3.142 221 HG3 ARG 32 2HG ARG 32 13.309 2.258 -2.234 222 HD2 ARG 32 1HD ARG 32 12.934 1.892 -5.203 223 HD3 ARG 32 2HD ARG 32 13.846 3.205 -4.460 224 HE ARG 32 HE ARG 32 14.709 0.567 -3.683 225 HH11 ARG 32 1HH1 ARG 32 15.064 3.162 -5.976 226 HH12 ARG 32 2HH1 ARG 32 16.661 2.692 -6.458 227 HH21 ARG 32 1HH2 ARG 32 16.810 -0.062 -4.309 228 HH22 ARG 32 2HH2 ARG 32 17.653 0.858 -5.509 229 H ILE 33 H ILE 33 11.654 -1.489 -5.466 230 HA ILE 33 HA ILE 33 10.130 -3.539 -3.993 231 HB ILE 33 HB ILE 33 9.848 -4.746 -6.121 232 HG12 ILE 33 1HG1 ILE 33 10.191 -3.125 -8.188 233 HG13 ILE 33 2HG1 ILE 33 11.412 -2.412 -7.140 234 HG21 ILE 33 1HG2 ILE 33 7.935 -3.649 -6.628 235 HG22 ILE 33 2HG2 ILE 33 8.345 -2.748 -5.169 236 HG23 ILE 33 3HG2 ILE 33 8.737 -2.084 -6.755 237 HD11 ILE 33 3HD1 ILE 33 11.839 -4.471 -8.842 238 HD12 ILE 33 1HD1 ILE 33 12.819 -4.125 -7.417 239 HD13 ILE 33 2HD1 ILE 33 11.532 -5.329 -7.332 240 H GLU 34 H GLU 34 11.085 -5.533 -3.678 241 HA GLU 34 HA GLU 34 13.944 -5.693 -4.374 242 HB2 GLU 34 1HB GLU 34 12.458 -6.417 -1.883 243 HB3 GLU 34 2HB GLU 34 13.902 -7.325 -2.308 244 HG2 GLU 34 1HG GLU 34 15.030 -5.026 -2.520 245 HG3 GLU 34 2HG GLU 34 13.640 -4.428 -1.615 246 H LYS 35 H LYS 35 14.791 -7.944 -4.505 247 HA LYS 35 HA LYS 35 13.110 -9.492 -6.249 248 HB2 LYS 35 1HB LYS 35 15.924 -9.839 -5.230 249 HB3 LYS 35 2HB LYS 35 15.137 -11.053 -6.231 250 HG2 LYS 35 1HG LYS 35 14.727 -9.135 -7.884 251 HG3 LYS 35 2HG LYS 35 15.941 -8.259 -6.949 252 HD2 LYS 35 1HD LYS 35 16.524 -11.026 -7.919 253 HD3 LYS 35 2HD LYS 35 16.655 -9.662 -9.031 254 HE2 LYS 35 1HE LYS 35 18.182 -8.561 -7.411 255 HE3 LYS 35 2HE LYS 35 18.119 -10.016 -6.418 256 HZ1 LYS 35 3HZ LYS 35 19.133 -9.853 -9.205 257 HZ2 LYS 35 1HZ LYS 35 19.039 -11.268 -8.282 258 HZ3 LYS 35 2HZ LYS 35 20.076 -10.019 -7.810 259 H ASP 36 H ASP 36 11.799 -11.093 -5.682 260 HA ASP 36 HA ASP 36 10.900 -12.864 -4.557 261 HB2 ASP 36 1HB ASP 36 13.380 -13.512 -4.325 262 HB3 ASP 36 2HB ASP 36 13.266 -12.858 -2.693 263 H THR 37 H THR 37 10.022 -10.372 -3.942 264 HA THR 37 HA THR 37 9.407 -10.636 -1.082 265 HB THR 37 HB THR 37 11.151 -8.785 -1.662 266 HG1 THR 37 1HG THR 37 9.561 -9.111 0.273 267 HG21 THR 37 3HG2 THR 37 8.611 -7.298 -2.314 268 HG22 THR 37 1HG2 THR 37 9.740 -7.880 -3.537 269 HG23 THR 37 2HG2 THR 37 10.262 -6.680 -2.355 270 H ASP 38 H ASP 38 7.311 -10.307 -0.561 271 HA ASP 38 HA ASP 38 5.439 -9.942 -2.746 272 HB2 ASP 38 1HB ASP 38 5.252 -11.665 -0.823 273 HB3 ASP 38 2HB ASP 38 4.675 -10.307 0.139 274 H GLY 39 H GLY 39 3.795 -8.360 -2.794 275 HA2 GLY 39 1HA GLY 39 2.959 -6.234 -2.584 276 HA3 GLY 39 2HA GLY 39 3.436 -6.330 -0.896 277 H HIS 40 H HIS 40 3.539 -3.937 -2.241 278 HA HIS 40 HA HIS 40 6.268 -3.497 -3.126 279 HB2 HIS 40 1HB HIS 40 3.788 -1.814 -2.999 280 HB3 HIS 40 2HB HIS 40 5.360 -1.048 -3.205 281 HD1 HIS 40 1HD HIS 40 6.286 -0.985 -5.524 282 HD2 HIS 40 2HD HIS 40 3.136 -3.669 -5.151 283 HE1 HIS 40 1HE HIS 40 5.785 -1.763 -7.862 284 HE2 HIS 40 2HE HIS 40 3.821 -3.321 -7.621 285 H LEU 41 H LEU 41 7.876 -2.704 -1.920 286 HA LEU 41 HA LEU 41 7.345 -2.152 0.889 287 HB2 LEU 41 1HB LEU 41 9.814 -2.674 -0.722 288 HB3 LEU 41 2HB LEU 41 9.926 -1.988 0.897 289 HG LEU 41 HG LEU 41 8.451 -4.091 1.514 290 HD11 LEU 41 1HD1 LEU 41 8.316 -4.747 -0.917 291 HD12 LEU 41 2HD1 LEU 41 8.857 -6.008 0.191 292 HD13 LEU 41 3HD1 LEU 41 10.029 -5.155 -0.815 293 HD21 LEU 41 3HD2 LEU 41 11.286 -3.520 1.438 294 HD22 LEU 41 1HD2 LEU 41 10.966 -5.252 1.343 295 HD23 LEU 41 2HD2 LEU 41 10.326 -4.310 2.690 296 H ILE 42 H ILE 42 7.481 -0.197 1.829 297 HA ILE 42 HA ILE 42 7.956 2.101 0.084 298 HB ILE 42 HB ILE 42 6.724 1.905 2.832 299 HG12 ILE 42 1HG1 ILE 42 5.415 2.893 0.311 300 HG13 ILE 42 2HG1 ILE 42 5.477 1.173 0.681 301 HG21 ILE 42 1HG2 ILE 42 6.191 4.427 1.777 302 HG22 ILE 42 2HG2 ILE 42 7.264 4.042 3.122 303 HG23 ILE 42 3HG2 ILE 42 7.910 4.163 1.485 304 HD11 ILE 42 3HD1 ILE 42 3.393 1.928 1.445 305 HD12 ILE 42 1HD1 ILE 42 4.391 1.753 2.888 306 HD13 ILE 42 2HD1 ILE 42 4.098 3.353 2.208 307 H ARG 43 H ARG 43 10.026 2.706 -0.004 308 HA ARG 43 HA ARG 43 11.470 3.031 2.541 309 HB2 ARG 43 1HB ARG 43 12.722 2.203 -0.082 310 HB3 ARG 43 2HB ARG 43 13.536 2.366 1.468 311 HG2 ARG 43 1HG ARG 43 11.248 0.484 1.288 312 HG3 ARG 43 2HG ARG 43 12.773 0.022 0.532 313 HD2 ARG 43 1HD ARG 43 12.456 0.893 3.402 314 HD3 ARG 43 2HD ARG 43 12.560 -0.782 2.861 315 HE ARG 43 HE ARG 43 14.774 0.810 1.987 316 HH11 ARG 43 1HH1 ARG 43 13.481 -1.031 4.644 317 HH12 ARG 43 2HH1 ARG 43 15.033 -1.371 5.334 318 HH21 ARG 43 1HH2 ARG 43 16.824 0.369 2.887 319 HH22 ARG 43 2HH2 ARG 43 16.934 -0.574 4.335 320 H VAL 44 H VAL 44 13.304 4.604 2.359 321 HA VAL 44 HA VAL 44 14.156 6.654 1.835 322 HB VAL 44 HB VAL 44 12.537 6.625 -0.704 323 HG11 VAL 44 1HG1 VAL 44 13.652 8.725 -0.099 324 HG12 VAL 44 2HG1 VAL 44 15.196 7.874 -0.016 325 HG13 VAL 44 3HG1 VAL 44 14.344 8.012 -1.555 326 HG21 VAL 44 3HG2 VAL 44 14.125 5.319 -1.796 327 HG22 VAL 44 1HG2 VAL 44 15.324 5.542 -0.521 328 HG23 VAL 44 2HG2 VAL 44 13.928 4.500 -0.246 329 H ILE 45 H ILE 45 12.110 6.648 3.571 330 HA ILE 45 HA ILE 45 10.076 8.536 2.719 331 HB ILE 45 HB ILE 45 10.562 7.255 5.410 332 HG12 ILE 45 1HG1 ILE 45 8.404 6.698 3.366 333 HG13 ILE 45 2HG1 ILE 45 9.867 5.735 3.539 334 HG21 ILE 45 1HG2 ILE 45 8.399 8.112 6.060 335 HG22 ILE 45 2HG2 ILE 45 9.440 9.446 5.567 336 HG23 ILE 45 3HG2 ILE 45 8.186 8.857 4.477 337 HD11 ILE 45 3HD1 ILE 45 7.516 5.953 5.355 338 HD12 ILE 45 1HD1 ILE 45 8.339 4.518 4.744 339 HD13 ILE 45 2HD1 ILE 45 9.090 5.496 6.006 340 H GLU 46 H GLU 46 11.111 10.474 2.363 341 HA GLU 46 HA GLU 46 13.102 11.659 3.860 342 HB2 GLU 46 1HB GLU 46 11.892 12.402 1.648 343 HB3 GLU 46 2HB GLU 46 10.906 13.358 2.745 344 HG2 GLU 46 1HG GLU 46 12.812 14.594 1.768 345 HG3 GLU 46 2HG GLU 46 12.814 14.557 3.530 346 H GLU 47 H GLU 47 13.141 13.174 5.543 347 HA GLU 47 HA GLU 47 11.197 12.728 7.587 348 HB2 GLU 47 1HB GLU 47 13.770 13.316 7.728 349 HB3 GLU 47 2HB GLU 47 13.166 14.967 7.753 350 HG2 GLU 47 1HG GLU 47 12.090 12.906 9.636 351 HG3 GLU 47 2HG GLU 47 13.588 13.768 9.983 352 H GLY 48 H GLY 48 9.831 14.274 8.582 353 HA2 GLY 48 1HA GLY 48 8.228 15.917 8.541 354 HA3 GLY 48 2HA GLY 48 9.467 16.917 7.796 355 H SER 49 H SER 49 8.326 13.981 6.297 356 HA SER 49 HA SER 49 7.288 15.580 4.079 357 HB2 SER 49 1HB SER 49 7.754 13.802 2.685 358 HB3 SER 49 2HB SER 49 8.968 13.535 3.937 359 HG SER 49 HG SER 49 7.971 11.772 4.519 360 HA PRO 50 HA PRO 50 3.061 14.715 4.876 361 HB2 PRO 50 1HB PRO 50 2.071 14.506 2.357 362 HB3 PRO 50 2HB PRO 50 2.568 16.045 3.069 363 HG2 PRO 50 1HG PRO 50 4.059 14.263 1.183 364 HG3 PRO 50 2HG PRO 50 3.905 16.029 1.167 365 HD2 PRO 50 1HD PRO 50 6.100 14.767 2.127 366 HD3 PRO 50 2HD PRO 50 5.521 16.311 2.786 367 H ALA 51 H ALA 51 5.086 12.435 3.416 368 HA ALA 51 HA ALA 51 3.061 10.401 3.032 369 HB1 ALA 51 3HB ALA 51 4.601 9.808 1.531 370 HB2 ALA 51 1HB ALA 51 5.861 10.754 2.325 371 HB3 ALA 51 2HB ALA 51 5.494 9.123 2.889 372 H GLU 52 H GLU 52 5.453 11.302 5.423 373 HA GLU 52 HA GLU 52 5.161 8.857 6.929 374 HB2 GLU 52 1HB GLU 52 7.305 10.010 6.936 375 HB3 GLU 52 2HB GLU 52 6.552 11.457 7.591 376 HG2 GLU 52 1HG GLU 52 7.665 10.366 9.373 377 HG3 GLU 52 2HG GLU 52 5.934 10.128 9.611 378 H LYS 53 H LYS 53 4.162 12.241 7.278 379 HA LYS 53 HA LYS 53 3.036 12.310 9.738 380 HB2 LYS 53 1HB LYS 53 1.528 14.000 8.947 381 HB3 LYS 53 2HB LYS 53 3.041 14.170 8.066 382 HG2 LYS 53 1HG LYS 53 2.130 13.422 6.086 383 HG3 LYS 53 2HG LYS 53 0.821 12.555 6.894 384 HD2 LYS 53 1HD LYS 53 0.158 14.994 7.666 385 HD3 LYS 53 2HD LYS 53 1.062 15.445 6.218 386 HE2 LYS 53 1HE LYS 53 -0.992 13.285 6.056 387 HE3 LYS 53 2HE LYS 53 -1.511 14.970 6.093 388 HZ1 LYS 53 3HZ LYS 53 -0.751 13.590 3.879 389 HZ2 LYS 53 1HZ LYS 53 0.627 14.504 4.242 390 HZ3 LYS 53 2HZ LYS 53 -0.860 15.274 4.001 391 H ALA 54 H ALA 54 1.931 10.459 7.026 392 HA ALA 54 HA ALA 54 -0.657 9.885 8.187 393 HB1 ALA 54 3HB ALA 54 -1.225 9.093 6.164 394 HB2 ALA 54 1HB ALA 54 0.241 9.914 5.628 395 HB3 ALA 54 2HB ALA 54 0.277 8.186 5.983 396 H GLY 55 H GLY 55 1.731 9.182 9.725 397 HA2 GLY 55 1HA GLY 55 2.527 7.449 11.003 398 HA3 GLY 55 2HA GLY 55 0.946 6.721 10.757 399 H LEU 56 H LEU 56 2.965 7.409 8.023 400 HA LEU 56 HA LEU 56 2.990 4.645 7.269 401 HB2 LEU 56 1HB LEU 56 2.882 6.736 5.765 402 HB3 LEU 56 2HB LEU 56 4.632 6.790 5.968 403 HG LEU 56 HG LEU 56 4.598 4.371 5.085 404 HD11 LEU 56 1HD1 LEU 56 2.755 3.561 4.003 405 HD12 LEU 56 2HD1 LEU 56 2.088 5.164 3.698 406 HD13 LEU 56 3HD1 LEU 56 1.980 4.457 5.310 407 HD21 LEU 56 3HD2 LEU 56 4.132 6.868 3.506 408 HD22 LEU 56 1HD2 LEU 56 4.301 5.315 2.686 409 HD23 LEU 56 2HD2 LEU 56 5.609 5.923 3.700 410 H LEU 57 H LEU 57 4.462 3.166 7.767 411 HA LEU 57 HA LEU 57 6.978 4.041 8.988 412 HB2 LEU 57 1HB LEU 57 5.280 1.618 9.186 413 HB3 LEU 57 2HB LEU 57 7.018 1.408 9.389 414 HG LEU 57 HG LEU 57 6.823 3.258 11.168 415 HD11 LEU 57 1HD1 LEU 57 4.788 3.841 12.015 416 HD12 LEU 57 2HD1 LEU 57 4.017 2.341 11.501 417 HD13 LEU 57 3HD1 LEU 57 4.348 3.611 10.322 418 HD21 LEU 57 3HD2 LEU 57 6.162 1.601 12.876 419 HD22 LEU 57 1HD2 LEU 57 7.330 0.963 11.719 420 HD23 LEU 57 2HD2 LEU 57 5.628 0.521 11.588 421 H ASP 58 H ASP 58 8.979 3.207 8.325 422 HA ASP 58 HA ASP 58 9.231 2.798 5.518 423 HB2 ASP 58 1HB ASP 58 10.902 3.889 7.185 424 HB3 ASP 58 2HB ASP 58 11.436 2.236 7.478 425 H GLY 59 H GLY 59 9.014 0.961 4.434 426 HA2 GLY 59 1HA GLY 59 9.789 -1.315 4.083 427 HA3 GLY 59 2HA GLY 59 9.664 -1.564 5.818 428 H ASP 60 H ASP 60 7.053 -0.075 5.818 429 HA ASP 60 HA ASP 60 5.288 -2.156 5.888 430 HB2 ASP 60 1HB ASP 60 5.026 0.426 6.427 431 HB3 ASP 60 2HB ASP 60 4.270 0.446 4.836 432 H ARG 61 H ARG 61 3.533 -2.794 4.463 433 HA ARG 61 HA ARG 61 4.310 -2.629 1.625 434 HB2 ARG 61 1HB ARG 61 3.340 -4.879 3.310 435 HB3 ARG 61 2HB ARG 61 2.795 -4.830 1.639 436 HG2 ARG 61 1HG ARG 61 4.674 -6.071 1.375 437 HG3 ARG 61 2HG ARG 61 5.376 -4.462 1.191 438 HD2 ARG 61 1HD ARG 61 6.095 -4.459 3.488 439 HD3 ARG 61 2HD ARG 61 5.261 -5.983 3.791 440 HE ARG 61 HE ARG 61 7.856 -5.663 2.696 441 HH11 ARG 61 1HH1 ARG 61 4.989 -7.625 2.461 442 HH12 ARG 61 2HH1 ARG 61 5.838 -9.028 1.901 443 HH21 ARG 61 1HH2 ARG 61 8.984 -7.504 1.960 444 HH22 ARG 61 2HH2 ARG 61 8.110 -8.958 1.618 445 H VAL 62 H VAL 62 2.785 -2.125 0.115 446 HA VAL 62 HA VAL 62 0.252 -1.091 1.147 447 HB VAL 62 HB VAL 62 1.249 0.539 -0.183 448 HG11 VAL 62 1HG1 VAL 62 1.910 -0.298 -2.654 449 HG12 VAL 62 2HG1 VAL 62 3.043 -0.256 -1.302 450 HG13 VAL 62 3HG1 VAL 62 2.239 -1.766 -1.735 451 HG21 VAL 62 3HG2 VAL 62 -0.582 -0.973 -2.046 452 HG22 VAL 62 1HG2 VAL 62 -1.083 0.181 -0.809 453 HG23 VAL 62 2HG2 VAL 62 -0.135 0.727 -2.193 454 H LEU 63 H LEU 63 -1.631 -2.082 0.828 455 HA LEU 63 HA LEU 63 -1.691 -4.552 -0.686 456 HB2 LEU 63 1HB LEU 63 -3.915 -3.210 0.839 457 HB3 LEU 63 2HB LEU 63 -3.882 -4.876 0.265 458 HG LEU 63 HG LEU 63 -1.779 -3.996 2.182 459 HD11 LEU 63 1HD1 LEU 63 -3.223 -4.451 4.078 460 HD12 LEU 63 2HD1 LEU 63 -4.594 -4.705 2.998 461 HD13 LEU 63 3HD1 LEU 63 -3.859 -3.107 3.129 462 HD21 LEU 63 3HD2 LEU 63 -3.084 -6.498 1.287 463 HD22 LEU 63 1HD2 LEU 63 -2.575 -6.418 2.974 464 HD23 LEU 63 2HD2 LEU 63 -1.395 -6.175 1.685 465 H ARG 64 H ARG 64 -3.605 -1.542 -0.638 466 HA ARG 64 HA ARG 64 -4.076 -1.908 -3.518 467 HB2 ARG 64 1HB ARG 64 -6.110 -1.035 -1.458 468 HB3 ARG 64 2HB ARG 64 -6.364 -0.997 -3.198 469 HG2 ARG 64 1HG ARG 64 -5.920 -3.485 -3.188 470 HG3 ARG 64 2HG ARG 64 -6.027 -3.398 -1.428 471 HD2 ARG 64 1HD ARG 64 -8.283 -2.634 -1.528 472 HD3 ARG 64 2HD ARG 64 -8.189 -2.405 -3.274 473 HE ARG 64 HE ARG 64 -7.708 -5.113 -2.458 474 HH11 ARG 64 1HH1 ARG 64 -10.158 -2.761 -3.224 475 HH12 ARG 64 2HH1 ARG 64 -11.342 -3.947 -3.665 476 HH21 ARG 64 1HH2 ARG 64 -9.258 -6.683 -3.037 477 HH22 ARG 64 2HH2 ARG 64 -10.830 -6.177 -3.558 478 H ILE 65 H ILE 65 -3.943 -0.094 -4.759 479 HA ILE 65 HA ILE 65 -3.185 2.383 -3.359 480 HB ILE 65 HB ILE 65 -1.521 1.228 -4.939 481 HG12 ILE 65 1HG1 ILE 65 -1.087 3.446 -4.150 482 HG13 ILE 65 2HG1 ILE 65 -0.803 3.452 -5.887 483 HG21 ILE 65 1HG2 ILE 65 -3.459 1.010 -6.680 484 HG22 ILE 65 2HG2 ILE 65 -2.966 2.641 -7.131 485 HG23 ILE 65 3HG2 ILE 65 -1.808 1.314 -7.219 486 HD11 ILE 65 3HD1 ILE 65 -1.977 5.396 -5.594 487 HD12 ILE 65 1HD1 ILE 65 -3.269 4.269 -6.005 488 HD13 ILE 65 2HD1 ILE 65 -2.994 4.720 -4.322 489 H ASN 66 H ASN 66 -4.576 4.010 -3.444 490 HA ASN 66 HA ASN 66 -6.412 5.249 -3.991 491 HB2 ASN 66 1HB ASN 66 -4.670 5.710 -5.851 492 HB3 ASN 66 2HB ASN 66 -5.718 4.730 -6.872 493 HD21 ASN 66 1HD2 ASN 66 -5.946 7.410 -4.557 494 HD22 ASN 66 2HD2 ASN 66 -7.093 8.324 -5.470 495 H GLY 67 H GLY 67 -6.728 2.284 -3.839 496 HA2 GLY 67 1HA GLY 67 -8.746 1.078 -3.849 497 HA3 GLY 67 2HA GLY 67 -9.386 2.202 -5.039 498 H VAL 68 H VAL 68 -6.265 0.662 -5.384 499 HA VAL 68 HA VAL 68 -7.374 -1.208 -7.354 500 HB VAL 68 HB VAL 68 -5.030 0.623 -7.883 501 HG11 VAL 68 1HG1 VAL 68 -4.333 -0.934 -9.308 502 HG12 VAL 68 2HG1 VAL 68 -5.757 -1.929 -8.998 503 HG13 VAL 68 3HG1 VAL 68 -5.811 -0.671 -10.233 504 HG21 VAL 68 3HG2 VAL 68 -7.458 1.501 -8.039 505 HG22 VAL 68 1HG2 VAL 68 -6.357 1.796 -9.385 506 HG23 VAL 68 2HG2 VAL 68 -7.554 0.504 -9.491 507 H PHE 69 H PHE 69 -6.785 -3.160 -6.692 508 HA PHE 69 HA PHE 69 -4.786 -3.740 -4.846 509 HB2 PHE 69 1HB PHE 69 -6.717 -5.225 -5.581 510 HB3 PHE 69 2HB PHE 69 -5.732 -5.661 -6.973 511 HD1 PHE 69 2HD PHE 69 -5.636 -5.578 -3.255 512 HD2 PHE 69 1HD PHE 69 -4.274 -7.445 -6.829 513 HE1 PHE 69 2HE PHE 69 -4.527 -7.321 -1.918 514 HE2 PHE 69 1HE PHE 69 -3.164 -9.192 -5.497 515 HZ PHE 69 HZ PHE 69 -3.288 -9.130 -3.038 516 H VAL 70 H VAL 70 -2.684 -3.374 -5.064 517 HA VAL 70 HA VAL 70 -1.412 -4.004 -7.649 518 HB VAL 70 HB VAL 70 0.291 -2.298 -7.127 519 HG11 VAL 70 1HG1 VAL 70 -2.333 -0.890 -6.942 520 HG12 VAL 70 2HG1 VAL 70 -0.932 -0.532 -7.954 521 HG13 VAL 70 3HG1 VAL 70 -1.985 -1.891 -8.350 522 HG21 VAL 70 3HG2 VAL 70 -1.089 -2.292 -4.581 523 HG22 VAL 70 1HG2 VAL 70 0.501 -1.656 -5.004 524 HG23 VAL 70 2HG2 VAL 70 -0.938 -0.667 -5.248 525 H ASP 71 H ASP 71 -1.646 -6.077 -6.000 526 HA ASP 71 HA ASP 71 0.606 -6.291 -4.209 527 HB2 ASP 71 1HB ASP 71 -1.627 -7.425 -3.849 528 HB3 ASP 71 2HB ASP 71 -1.197 -8.519 -5.161 529 H LYS 72 H LYS 72 -0.276 -7.452 -7.418 530 HA LYS 72 HA LYS 72 2.400 -8.641 -7.695 531 HB2 LYS 72 1HB LYS 72 0.688 -10.245 -8.161 532 HB3 LYS 72 2HB LYS 72 -0.173 -9.116 -9.199 533 HG2 LYS 72 1HG LYS 72 0.884 -10.620 -10.650 534 HG3 LYS 72 2HG LYS 72 1.870 -9.157 -10.699 535 HD2 LYS 72 1HD LYS 72 3.580 -10.118 -9.451 536 HD3 LYS 72 2HD LYS 72 2.525 -11.368 -8.788 537 HE2 LYS 72 1HE LYS 72 2.656 -12.669 -10.674 538 HE3 LYS 72 2HE LYS 72 2.979 -11.295 -11.730 539 HZ1 LYS 72 3HZ LYS 72 5.064 -12.077 -11.668 540 HZ2 LYS 72 1HZ LYS 72 4.823 -12.953 -10.240 541 HZ3 LYS 72 2HZ LYS 72 5.153 -11.295 -10.170 542 H GLU 73 H GLU 73 0.315 -6.132 -8.824 543 HA GLU 73 HA GLU 73 1.241 -5.531 -11.328 544 HB2 GLU 73 1HB GLU 73 0.671 -3.521 -9.143 545 HB3 GLU 73 2HB GLU 73 0.667 -3.200 -10.871 546 HG2 GLU 73 1HG GLU 73 -1.138 -5.291 -9.746 547 HG3 GLU 73 2HG GLU 73 -1.568 -3.587 -9.614 548 H GLU 74 H GLU 74 2.807 -3.969 -12.099 549 HA GLU 74 HA GLU 74 5.329 -4.233 -10.676 550 HB2 GLU 74 1HB GLU 74 6.384 -3.548 -12.703 551 HB3 GLU 74 2HB GLU 74 5.114 -4.682 -13.139 552 HG2 GLU 74 1HG GLU 74 3.658 -2.651 -13.579 553 HG3 GLU 74 2HG GLU 74 5.140 -1.703 -13.473 554 H HIS 75 H HIS 75 6.817 -2.297 -10.688 555 HA HIS 75 HA HIS 75 5.677 -0.219 -9.176 556 HB2 HIS 75 1HB HIS 75 7.986 -0.695 -8.852 557 HB3 HIS 75 2HB HIS 75 8.343 -0.484 -10.564 558 HD1 HIS 75 1HD HIS 75 7.713 1.448 -7.421 559 HD2 HIS 75 2HD HIS 75 8.722 2.156 -11.389 560 HE1 HIS 75 1HE HIS 75 8.414 3.861 -7.516 561 HE2 HIS 75 2HE HIS 75 8.939 4.289 -9.942 562 H ALA 76 H ALA 76 6.443 -0.497 -12.597 563 HA ALA 76 HA ALA 76 6.092 2.211 -13.292 564 HB1 ALA 76 3HB ALA 76 6.518 1.533 -15.391 565 HB2 ALA 76 1HB ALA 76 6.922 -0.002 -14.620 566 HB3 ALA 76 2HB ALA 76 5.323 0.238 -15.325 567 H GLN 77 H GLN 77 3.842 -0.337 -12.624 568 HA GLN 77 HA GLN 77 1.608 1.037 -13.858 569 HB2 GLN 77 1HB GLN 77 1.996 -1.574 -12.464 570 HB3 GLN 77 2HB GLN 77 0.374 -0.902 -12.551 571 HG2 GLN 77 1HG GLN 77 0.804 -0.691 -15.066 572 HG3 GLN 77 2HG GLN 77 2.163 -1.778 -14.785 573 HE21 GLN 77 1HE2 GLN 77 -1.219 -1.562 -13.717 574 HE22 GLN 77 2HE2 GLN 77 -1.614 -3.205 -14.074 575 H VAL 78 H VAL 78 2.922 0.480 -10.649 576 HA VAL 78 HA VAL 78 0.690 1.598 -9.251 577 HB VAL 78 HB VAL 78 3.525 1.143 -8.306 578 HG11 VAL 78 1HG1 VAL 78 2.665 1.361 -6.067 579 HG12 VAL 78 2HG1 VAL 78 2.259 2.814 -6.982 580 HG13 VAL 78 3HG1 VAL 78 1.027 1.590 -6.677 581 HG21 VAL 78 3HG2 VAL 78 2.903 -0.961 -7.589 582 HG22 VAL 78 1HG2 VAL 78 1.185 -0.560 -7.566 583 HG23 VAL 78 2HG2 VAL 78 2.008 -0.826 -9.103 584 H VAL 79 H VAL 79 3.965 2.778 -10.005 585 HA VAL 79 HA VAL 79 3.849 5.267 -8.830 586 HB VAL 79 HB VAL 79 5.853 4.280 -9.949 587 HG11 VAL 79 1HG1 VAL 79 5.087 5.493 -12.533 588 HG12 VAL 79 2HG1 VAL 79 6.070 4.068 -12.193 589 HG13 VAL 79 3HG1 VAL 79 4.311 3.965 -12.117 590 HG21 VAL 79 3HG2 VAL 79 5.971 6.553 -9.231 591 HG22 VAL 79 1HG2 VAL 79 6.693 6.468 -10.838 592 HG23 VAL 79 2HG2 VAL 79 5.061 7.106 -10.636 593 H GLU 80 H GLU 80 2.354 4.171 -11.792 594 HA GLU 80 HA GLU 80 1.683 6.780 -12.757 595 HB2 GLU 80 1HB GLU 80 1.827 5.090 -14.402 596 HB3 GLU 80 2HB GLU 80 0.798 3.997 -13.487 597 HG2 GLU 80 1HG GLU 80 -1.133 5.359 -13.935 598 HG3 GLU 80 2HG GLU 80 -0.133 6.576 -14.726 599 H LEU 81 H LEU 81 -0.243 4.154 -11.305 600 HA LEU 81 HA LEU 81 -2.694 5.370 -11.178 601 HB2 LEU 81 1HB LEU 81 -1.381 3.564 -9.156 602 HB3 LEU 81 2HB LEU 81 -3.089 4.000 -9.122 603 HG LEU 81 HG LEU 81 -1.784 2.560 -11.426 604 HD11 LEU 81 1HD1 LEU 81 -3.238 1.456 -9.031 605 HD12 LEU 81 2HD1 LEU 81 -1.574 1.134 -9.516 606 HD13 LEU 81 3HD1 LEU 81 -2.910 0.543 -10.504 607 HD21 LEU 81 3HD2 LEU 81 -3.894 3.830 -11.842 608 HD22 LEU 81 1HD2 LEU 81 -4.687 2.795 -10.655 609 HD23 LEU 81 2HD2 LEU 81 -4.019 2.093 -12.129 610 H VAL 82 H VAL 82 -0.046 5.656 -8.830 611 HA VAL 82 HA VAL 82 -1.406 7.349 -7.027 612 HB VAL 82 HB VAL 82 1.563 7.084 -7.521 613 HG11 VAL 82 1HG1 VAL 82 0.100 8.917 -5.895 614 HG12 VAL 82 2HG1 VAL 82 0.998 7.812 -4.854 615 HG13 VAL 82 3HG1 VAL 82 1.845 8.751 -6.084 616 HG21 VAL 82 3HG2 VAL 82 -0.042 5.840 -5.304 617 HG22 VAL 82 1HG2 VAL 82 0.241 5.021 -6.841 618 HG23 VAL 82 2HG2 VAL 82 1.604 5.463 -5.812 619 H ARG 83 H ARG 83 0.480 7.973 -9.921 620 HA ARG 83 HA ARG 83 0.755 10.770 -9.561 621 HB2 ARG 83 1HB ARG 83 2.236 9.764 -11.099 622 HB3 ARG 83 2HB ARG 83 0.929 8.964 -11.961 623 HG2 ARG 83 1HG ARG 83 0.388 10.826 -13.159 624 HG3 ARG 83 2HG ARG 83 0.948 11.931 -11.902 625 HD2 ARG 83 1HD ARG 83 2.614 12.220 -13.435 626 HD3 ARG 83 2HD ARG 83 3.290 10.878 -12.513 627 HE ARG 83 HE ARG 83 1.721 9.916 -14.664 628 HH11 ARG 83 1HH1 ARG 83 4.789 11.401 -13.951 629 HH12 ARG 83 2HH1 ARG 83 5.585 10.723 -15.332 630 HH21 ARG 83 1HH2 ARG 83 2.759 9.019 -16.486 631 HH22 ARG 83 2HH2 ARG 83 4.430 9.369 -16.774 632 H LYS 84 H LYS 84 -1.520 8.838 -11.502 633 HA LYS 84 HA LYS 84 -3.035 11.049 -12.409 634 HB2 LYS 84 1HB LYS 84 -4.704 9.371 -13.079 635 HB3 LYS 84 2HB LYS 84 -3.080 8.909 -13.572 636 HG2 LYS 84 1HG LYS 84 -2.925 7.321 -11.781 637 HG3 LYS 84 2HG LYS 84 -4.465 7.865 -11.112 638 HD2 LYS 84 1HD LYS 84 -4.269 6.797 -13.910 639 HD3 LYS 84 2HD LYS 84 -4.440 5.715 -12.526 640 HE2 LYS 84 1HE LYS 84 -6.310 8.024 -12.880 641 HE3 LYS 84 2HE LYS 84 -6.558 6.534 -13.790 642 HZ1 LYS 84 3HZ LYS 84 -7.824 6.320 -11.844 643 HZ2 LYS 84 1HZ LYS 84 -6.581 6.900 -10.853 644 HZ3 LYS 84 2HZ LYS 84 -6.449 5.374 -11.569 645 H SER 85 H SER 85 -3.326 8.902 -9.629 646 HA SER 85 HA SER 85 -5.771 9.269 -8.631 647 HB2 SER 85 1HB SER 85 -3.182 9.575 -7.095 648 HB3 SER 85 2HB SER 85 -4.761 9.381 -6.334 649 HG SER 85 HG SER 85 -3.562 7.398 -6.611 650 H GLY 86 H GLY 86 -3.178 11.677 -8.162 651 HA2 GLY 86 1HA GLY 86 -3.856 14.025 -8.670 652 HA3 GLY 86 2HA GLY 86 -5.296 13.691 -7.721 653 H ASN 87 H ASN 87 -4.688 15.555 -6.452 654 HA ASN 87 HA ASN 87 -2.275 15.712 -5.004 655 HB2 ASN 87 1HB ASN 87 -4.933 17.046 -4.871 656 HB3 ASN 87 2HB ASN 87 -3.898 17.163 -3.451 657 HD21 ASN 87 1HD2 ASN 87 -3.028 17.071 -6.872 658 HD22 ASN 87 2HD2 ASN 87 -2.261 18.618 -6.900 659 H SER 88 H SER 88 -5.354 14.171 -4.332 660 HA SER 88 HA SER 88 -4.313 13.253 -1.738 661 HB2 SER 88 1HB SER 88 -6.637 12.786 -1.128 662 HB3 SER 88 2HB SER 88 -6.466 14.462 -1.650 663 HG SER 88 HG SER 88 -7.680 14.069 -3.339 664 H VAL 89 H VAL 89 -4.002 11.131 -1.345 665 HA VAL 89 HA VAL 89 -4.994 9.168 -3.285 666 HB VAL 89 HB VAL 89 -2.144 9.147 -2.292 667 HG11 VAL 89 1HG1 VAL 89 -3.200 7.636 -4.645 668 HG12 VAL 89 2HG1 VAL 89 -1.807 7.285 -3.621 669 HG13 VAL 89 3HG1 VAL 89 -3.441 7.011 -3.014 670 HG21 VAL 89 3HG2 VAL 89 -3.139 9.948 -5.025 671 HG22 VAL 89 1HG2 VAL 89 -2.576 11.071 -3.787 672 HG23 VAL 89 2HG2 VAL 89 -1.462 9.895 -4.483 673 H THR 90 H THR 90 -5.447 7.161 -2.447 674 HA THR 90 HA THR 90 -5.286 6.950 0.483 675 HB THR 90 HB THR 90 -7.127 5.404 -1.347 676 HG1 THR 90 1HG THR 90 -8.022 7.496 0.302 677 HG21 THR 90 3HG2 THR 90 -6.435 4.789 1.177 678 HG22 THR 90 1HG2 THR 90 -8.035 4.469 0.510 679 HG23 THR 90 2HG2 THR 90 -7.762 5.905 1.497 680 H LEU 91 H LEU 91 -4.156 5.349 1.405 681 HA LEU 91 HA LEU 91 -3.316 3.076 -0.258 682 HB2 LEU 91 1HB LEU 91 -1.520 4.516 1.685 683 HB3 LEU 91 2HB LEU 91 -1.085 3.170 0.634 684 HG LEU 91 HG LEU 91 -1.948 5.840 -0.449 685 HD11 LEU 91 1HD1 LEU 91 0.105 5.868 1.121 686 HD12 LEU 91 2HD1 LEU 91 0.231 6.621 -0.469 687 HD13 LEU 91 3HD1 LEU 91 0.917 5.020 -0.195 688 HD21 LEU 91 3HD2 LEU 91 -0.306 4.833 -2.273 689 HD22 LEU 91 1HD2 LEU 91 -2.021 4.425 -2.229 690 HD23 LEU 91 2HD2 LEU 91 -0.834 3.316 -1.542 691 H LEU 92 H LEU 92 -3.274 1.117 0.747 692 HA LEU 92 HA LEU 92 -4.153 1.079 3.558 693 HB2 LEU 92 1HB LEU 92 -4.702 -0.768 1.258 694 HB3 LEU 92 2HB LEU 92 -4.936 -1.278 2.928 695 HG LEU 92 HG LEU 92 -6.321 1.111 1.726 696 HD11 LEU 92 1HD1 LEU 92 -7.416 -1.679 2.031 697 HD12 LEU 92 2HD1 LEU 92 -6.891 -0.968 0.505 698 HD13 LEU 92 3HD1 LEU 92 -8.255 -0.271 1.379 699 HD21 LEU 92 3HD2 LEU 92 -7.835 0.816 3.623 700 HD22 LEU 92 1HD2 LEU 92 -6.177 1.084 4.159 701 HD23 LEU 92 2HD2 LEU 92 -6.862 -0.541 4.192 702 H VAL 93 H VAL 93 -2.555 0.582 4.898 703 HA VAL 93 HA VAL 93 -0.586 -1.442 4.048 704 HB VAL 93 HB VAL 93 1.109 -0.371 5.319 705 HG11 VAL 93 1HG1 VAL 93 0.931 0.665 3.216 706 HG12 VAL 93 2HG1 VAL 93 -0.511 1.565 3.689 707 HG13 VAL 93 3HG1 VAL 93 1.059 1.990 4.373 708 HG21 VAL 93 3HG2 VAL 93 0.147 0.319 7.308 709 HG22 VAL 93 1HG2 VAL 93 0.470 1.854 6.501 710 HG23 VAL 93 2HG2 VAL 93 -1.160 1.182 6.497 711 H LEU 94 H LEU 94 -0.662 -3.273 5.157 712 HA LEU 94 HA LEU 94 -2.093 -3.348 7.701 713 HB2 LEU 94 1HB LEU 94 -2.685 -4.960 5.946 714 HB3 LEU 94 2HB LEU 94 -1.040 -5.591 5.983 715 HG LEU 94 HG LEU 94 -1.506 -6.177 8.427 716 HD11 LEU 94 1HD1 LEU 94 -4.257 -5.462 7.473 717 HD12 LEU 94 2HD1 LEU 94 -3.435 -4.974 8.954 718 HD13 LEU 94 3HD1 LEU 94 -4.001 -6.634 8.766 719 HD21 LEU 94 3HD2 LEU 94 -2.162 -8.297 7.817 720 HD22 LEU 94 1HD2 LEU 94 -1.547 -7.672 6.287 721 HD23 LEU 94 2HD2 LEU 94 -3.285 -7.715 6.588 722 H ASP 95 H ASP 95 -1.213 -4.582 9.503 723 HA ASP 95 HA ASP 95 1.450 -3.803 10.111 724 HB2 ASP 95 1HB ASP 95 -0.208 -5.840 11.603 725 HB3 ASP 95 2HB ASP 95 1.105 -4.852 12.237 726 H GLY 96 H GLY 96 3.302 -4.795 9.664 727 HA2 GLY 96 1HA GLY 96 3.706 -6.908 8.034 728 HA3 GLY 96 2HA GLY 96 4.815 -6.517 9.340 729 H ASP 97 H ASP 97 3.533 -7.206 11.582 730 HA ASP 97 HA ASP 97 3.913 -9.890 11.880 731 HB2 ASP 97 1HB ASP 97 3.599 -8.419 13.788 732 HB3 ASP 97 2HB ASP 97 1.916 -8.150 13.341 733 H SER 98 H SER 98 0.816 -8.297 11.156 734 HA SER 98 HA SER 98 -0.676 -10.701 10.990 735 HB2 SER 98 1HB SER 98 -1.196 -7.920 9.924 736 HB3 SER 98 2HB SER 98 -2.358 -9.240 9.787 737 HG SER 98 HG SER 98 -1.787 -9.317 12.252 738 H TYR 99 H TYR 99 0.785 -8.611 8.517 739 HA TYR 99 HA TYR 99 -0.048 -9.745 6.203 740 HB2 TYR 99 1HB TYR 99 1.640 -7.855 6.532 741 HB3 TYR 99 2HB TYR 99 2.868 -9.112 6.643 742 HD1 TYR 99 2HD TYR 99 3.352 -10.542 4.677 743 HD2 TYR 99 1HD TYR 99 0.691 -7.231 4.431 744 HE1 TYR 99 2HE TYR 99 3.535 -10.585 2.225 745 HE2 TYR 99 1HE TYR 99 0.866 -7.265 1.978 746 HH TYR 99 HH TYR 99 2.588 -8.085 0.266 747 H GLU 100 H GLU 100 2.848 -10.849 7.975 748 HA GLU 100 HA GLU 100 3.427 -13.067 6.424 749 HB2 GLU 100 1HB GLU 100 3.799 -12.779 9.411 750 HB3 GLU 100 2HB GLU 100 4.622 -13.945 8.383 751 HG2 GLU 100 1HG GLU 100 5.674 -12.097 7.157 752 HG3 GLU 100 2HG GLU 100 4.882 -10.950 8.236 753 H LYS 101 H LYS 101 1.396 -12.903 9.339 754 HA LYS 101 HA LYS 101 0.699 -15.570 9.545 755 HB2 LYS 101 1HB LYS 101 0.079 -14.068 11.291 756 HB3 LYS 101 2HB LYS 101 -0.865 -13.073 10.191 757 HG2 LYS 101 1HG LYS 101 -2.498 -14.843 9.940 758 HG3 LYS 101 2HG LYS 101 -1.532 -15.906 10.966 759 HD2 LYS 101 1HD LYS 101 -2.415 -13.243 12.000 760 HD3 LYS 101 2HD LYS 101 -3.551 -14.595 11.975 761 HE2 LYS 101 1HE LYS 101 -2.355 -15.802 13.526 762 HE3 LYS 101 2HE LYS 101 -0.832 -15.010 13.125 763 HZ1 LYS 101 3HZ LYS 101 -2.428 -14.437 15.260 764 HZ2 LYS 101 1HZ LYS 101 -2.762 -13.182 14.175 765 HZ3 LYS 101 2HZ LYS 101 -1.171 -13.470 14.671 766 H ALA 102 H ALA 102 -0.992 -13.015 7.732 767 HA ALA 102 HA ALA 102 -3.079 -14.519 6.710 768 HB1 ALA 102 3HB ALA 102 -2.183 -11.941 6.398 769 HB2 ALA 102 1HB ALA 102 -2.016 -12.617 4.777 770 HB3 ALA 102 2HB ALA 102 -3.580 -12.652 5.592 771 H VAL 103 H VAL 103 -0.140 -13.671 4.869 772 HA VAL 103 HA VAL 103 -0.406 -15.205 2.674 773 HB VAL 103 HB VAL 103 2.108 -14.821 4.297 774 HG11 VAL 103 1HG1 VAL 103 1.906 -15.765 1.441 775 HG12 VAL 103 2HG1 VAL 103 3.378 -15.533 2.386 776 HG13 VAL 103 3HG1 VAL 103 2.244 -16.814 2.817 777 HG21 VAL 103 3HG2 VAL 103 1.132 -13.454 1.790 778 HG22 VAL 103 1HG2 VAL 103 1.035 -12.784 3.418 779 HG23 VAL 103 2HG2 VAL 103 2.609 -13.084 2.680 780 H LYS 104 H LYS 104 0.945 -16.388 5.749 781 HA LYS 104 HA LYS 104 1.460 -19.005 5.028 782 HB2 LYS 104 1HB LYS 104 1.799 -17.675 7.288 783 HB3 LYS 104 2HB LYS 104 0.288 -18.464 7.722 784 HG2 LYS 104 1HG LYS 104 1.747 -20.010 8.509 785 HG3 LYS 104 2HG LYS 104 1.580 -20.604 6.855 786 HD2 LYS 104 1HD LYS 104 3.588 -19.017 6.373 787 HD3 LYS 104 2HD LYS 104 3.845 -19.110 8.117 788 HE2 LYS 104 1HE LYS 104 3.494 -21.593 6.477 789 HE3 LYS 104 2HE LYS 104 5.062 -20.793 6.578 790 HZ1 LYS 104 3HZ LYS 104 4.386 -22.655 8.265 791 HZ2 LYS 104 1HZ LYS 104 3.632 -21.371 9.069 792 HZ3 LYS 104 2HZ LYS 104 5.295 -21.321 8.768 793 H ASN 105 H ASN 105 -1.563 -17.652 6.323 794 HA ASN 105 HA ASN 105 -2.936 -20.177 5.877 795 HB2 ASN 105 1HB ASN 105 -4.133 -17.581 6.853 796 HB3 ASN 105 2HB ASN 105 -4.791 -19.204 7.037 797 HD21 ASN 105 1HD2 ASN 105 -3.504 -16.839 8.735 798 HD22 ASN 105 2HD2 ASN 105 -2.645 -17.722 9.946 799 H GLN 106 H GLN 106 -1.900 -18.401 3.671 800 HA GLN 106 HA GLN 106 -2.634 -17.372 1.736 801 HB2 GLN 106 1HB GLN 106 -3.980 -18.932 0.377 802 HB3 GLN 106 2HB GLN 106 -2.641 -19.735 1.187 803 HG2 GLN 106 1HG GLN 106 -4.226 -20.494 2.937 804 HG3 GLN 106 2HG GLN 106 -5.539 -19.798 1.990 805 HE21 GLN 106 1HE2 GLN 106 -3.309 -22.398 2.312 806 HE22 GLN 106 2HE2 GLN 106 -3.924 -23.374 1.026 807 H VAL 107 H VAL 107 -3.905 -16.117 3.810 808 HA VAL 107 HA VAL 107 -6.754 -16.096 3.434 809 HB VAL 107 HB VAL 107 -4.949 -14.211 4.955 810 HG11 VAL 107 1HG1 VAL 107 -6.783 -12.875 4.631 811 HG12 VAL 107 2HG1 VAL 107 -7.895 -14.240 4.515 812 HG13 VAL 107 3HG1 VAL 107 -7.273 -13.739 6.088 813 HG21 VAL 107 3HG2 VAL 107 -6.772 -15.780 6.534 814 HG22 VAL 107 1HG2 VAL 107 -5.774 -16.824 5.521 815 HG23 VAL 107 2HG2 VAL 107 -5.014 -15.678 6.626 816 H ASP 108 H ASP 108 -7.774 -15.115 1.830 817 HA ASP 108 HA ASP 108 -6.697 -13.660 -0.208 818 HB2 ASP 108 1HB ASP 108 -9.460 -13.159 0.914 819 HB3 ASP 108 2HB ASP 108 -8.923 -12.902 -0.744 820 H LEU 109 H LEU 109 -5.864 -11.693 -0.464 821 HA LEU 109 HA LEU 109 -5.854 -9.865 1.790 822 HB2 LEU 109 1HB LEU 109 -4.454 -9.831 -0.875 823 HB3 LEU 109 2HB LEU 109 -4.301 -8.546 0.321 824 HG LEU 109 HG LEU 109 -3.515 -11.415 0.818 825 HD11 LEU 109 1HD1 LEU 109 -1.234 -10.738 0.474 826 HD12 LEU 109 2HD1 LEU 109 -1.733 -9.079 0.145 827 HD13 LEU 109 3HD1 LEU 109 -2.168 -10.369 -0.976 828 HD21 LEU 109 3HD2 LEU 109 -2.727 -8.933 2.326 829 HD22 LEU 109 1HD2 LEU 109 -2.489 -10.617 2.794 830 HD23 LEU 109 2HD2 LEU 109 -4.113 -9.930 2.770 831 H LYS 110 H LYS 110 -7.000 -9.954 -1.550 832 HA LYS 110 HA LYS 110 -7.785 -7.407 -2.034 833 HB2 LYS 110 1HB LYS 110 -8.950 -10.052 -2.729 834 HB3 LYS 110 2HB LYS 110 -9.944 -8.633 -3.030 835 HG2 LYS 110 1HG LYS 110 -8.663 -9.292 -5.003 836 HG3 LYS 110 2HG LYS 110 -8.214 -7.682 -4.435 837 HD2 LYS 110 1HD LYS 110 -6.137 -8.583 -4.787 838 HD3 LYS 110 2HD LYS 110 -6.388 -9.031 -3.098 839 HE2 LYS 110 1HE LYS 110 -5.531 -10.919 -4.369 840 HE3 LYS 110 2HE LYS 110 -7.171 -11.241 -3.808 841 HZ1 LYS 110 3HZ LYS 110 -6.536 -10.248 -6.530 842 HZ2 LYS 110 1HZ LYS 110 -8.027 -10.815 -5.966 843 HZ3 LYS 110 2HZ LYS 110 -6.731 -11.886 -6.153 844 H GLU 111 H GLU 111 -9.317 -9.676 0.165 845 HA GLU 111 HA GLU 111 -11.679 -8.226 0.651 846 HB2 GLU 111 1HB GLU 111 -10.176 -10.136 2.449 847 HB3 GLU 111 2HB GLU 111 -11.808 -9.555 2.747 848 HG2 GLU 111 1HG GLU 111 -12.564 -10.603 0.676 849 HG3 GLU 111 2HG GLU 111 -10.928 -11.187 0.377 850 H LEU 112 H LEU 112 -8.496 -8.137 2.183 851 HA LEU 112 HA LEU 112 -8.873 -6.645 4.403 852 HB2 LEU 112 1HB LEU 112 -6.715 -6.063 2.383 853 HB3 LEU 112 2HB LEU 112 -6.663 -5.733 4.113 854 HG LEU 112 HG LEU 112 -6.786 -8.503 2.928 855 HD11 LEU 112 1HD1 LEU 112 -4.684 -8.009 2.273 856 HD12 LEU 112 2HD1 LEU 112 -4.320 -8.332 3.968 857 HD13 LEU 112 3HD1 LEU 112 -4.524 -6.671 3.412 858 HD21 LEU 112 3HD2 LEU 112 -5.847 -8.988 5.279 859 HD22 LEU 112 1HD2 LEU 112 -7.571 -8.653 5.111 860 HD23 LEU 112 2HD2 LEU 112 -6.481 -7.395 5.696 861 H ASP 113 H ASP 113 -10.549 -5.192 4.365 862 HA ASP 113 HA ASP 113 -9.958 -2.636 3.108 863 HB2 ASP 113 1HB ASP 113 -12.005 -2.418 1.943 864 HB3 ASP 113 2HB ASP 113 -11.405 -4.020 1.525 865 H GLN 114 H GLN 114 -9.910 -1.387 4.866 866 HA GLN 114 HA GLN 114 -10.886 -1.667 7.327 867 HB2 GLN 114 1HB GLN 114 -10.866 0.690 7.611 868 HB3 GLN 114 2HB GLN 114 -9.642 0.330 6.402 869 HG2 GLN 114 1HG GLN 114 -10.957 1.160 4.656 870 HG3 GLN 114 2HG GLN 114 -12.425 1.126 5.631 871 HE21 GLN 114 1HE2 GLN 114 -12.809 2.764 7.106 872 HE22 GLN 114 2HE2 GLN 114 -11.924 4.248 7.094 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -28.821 -21.168 17.291 2 HA2 GLY 1 1HA GLY 1 -30.039 -18.559 16.620 3 HA3 GLY 1 2HA GLY 1 -28.322 -18.880 16.421 4 H SER 2 H SER 2 -29.154 -18.021 14.216 5 HA SER 2 HA SER 2 -30.461 -20.002 12.568 6 HB2 SER 2 1HB SER 2 -30.375 -18.368 10.815 7 HB3 SER 2 2HB SER 2 -30.784 -17.511 12.301 8 HG SER 2 HG SER 2 -28.505 -17.006 12.459 9 H SER 3 H SER 3 -29.544 -21.084 10.807 10 HA SER 3 HA SER 3 -26.699 -21.628 11.118 11 HB2 SER 3 1HB SER 3 -28.907 -22.999 9.582 12 HB3 SER 3 2HB SER 3 -27.213 -23.461 9.420 13 HG SER 3 HG SER 3 -28.252 -23.256 11.998 14 H GLY 4 H GLY 4 -25.492 -20.104 10.125 15 HA2 GLY 4 1HA GLY 4 -26.082 -19.586 7.275 16 HA3 GLY 4 2HA GLY 4 -25.458 -18.350 8.357 17 H SER 5 H SER 5 -24.690 -21.452 6.844 18 HA SER 5 HA SER 5 -21.903 -21.293 7.522 19 HB2 SER 5 1HB SER 5 -23.040 -23.465 7.227 20 HB3 SER 5 2HB SER 5 -23.311 -23.085 5.526 21 HG SER 5 HG SER 5 -20.948 -23.770 6.850 22 H SER 6 H SER 6 -20.373 -20.215 6.476 23 HA SER 6 HA SER 6 -20.620 -19.723 3.612 24 HB2 SER 6 1HB SER 6 -21.648 -17.759 4.772 25 HB3 SER 6 2HB SER 6 -20.097 -17.465 5.559 26 HG SER 6 HG SER 6 -19.769 -16.301 3.827 27 H GLY 7 H GLY 7 -18.699 -19.747 2.566 28 HA2 GLY 7 1HA GLY 7 -16.376 -20.557 4.065 29 HA3 GLY 7 2HA GLY 7 -16.486 -20.387 2.319 30 H MET 8 H MET 8 -16.820 -18.158 5.086 31 HA MET 8 HA MET 8 -15.146 -16.237 3.639 32 HB2 MET 8 1HB MET 8 -17.490 -15.767 4.775 33 HB3 MET 8 2HB MET 8 -16.498 -15.565 6.214 34 HG2 MET 8 1HG MET 8 -15.114 -13.938 4.834 35 HG3 MET 8 2HG MET 8 -16.435 -13.983 3.669 36 HE1 MET 8 3HE MET 8 -15.961 -11.462 7.247 37 HE2 MET 8 1HE MET 8 -16.023 -13.137 7.798 38 HE3 MET 8 2HE MET 8 -14.865 -12.661 6.557 39 H ALA 9 H ALA 9 -13.282 -15.369 4.504 40 HA ALA 9 HA ALA 9 -12.134 -16.880 6.748 41 HB1 ALA 9 3HB ALA 9 -10.154 -16.835 5.698 42 HB2 ALA 9 1HB ALA 9 -11.105 -16.429 4.269 43 HB3 ALA 9 2HB ALA 9 -10.338 -15.150 5.211 44 H SER 10 H SER 10 -10.870 -15.763 8.340 45 HA SER 10 HA SER 10 -12.098 -13.634 9.557 46 HB2 SER 10 1HB SER 10 -9.186 -14.445 9.684 47 HB3 SER 10 2HB SER 10 -9.941 -13.298 10.790 48 HG SER 10 HG SER 10 -9.854 -15.866 11.081 49 H THR 11 H THR 11 -11.901 -11.431 9.554 50 HA THR 11 HA THR 11 -10.512 -10.288 7.235 51 HB THR 11 HB THR 11 -11.923 -8.273 7.652 52 HG1 THR 11 1HG THR 11 -13.843 -8.959 9.088 53 HG21 THR 11 3HG2 THR 11 -13.919 -9.181 6.715 54 HG22 THR 11 1HG2 THR 11 -13.592 -10.772 7.401 55 HG23 THR 11 2HG2 THR 11 -12.578 -10.147 6.101 56 H PHE 12 H PHE 12 -8.494 -9.698 7.748 57 HA PHE 12 HA PHE 12 -7.534 -9.033 10.275 58 HB2 PHE 12 1HB PHE 12 -6.553 -8.472 7.492 59 HB3 PHE 12 2HB PHE 12 -5.703 -7.811 8.885 60 HD1 PHE 12 1HD PHE 12 -4.641 -9.315 10.516 61 HD2 PHE 12 2HD PHE 12 -6.423 -10.781 6.939 62 HE1 PHE 12 1HE PHE 12 -3.434 -11.442 10.790 63 HE2 PHE 12 2HE PHE 12 -5.220 -12.910 7.208 64 HZ PHE 12 HZ PHE 12 -3.723 -13.243 9.135 65 H ASN 13 H ASN 13 -6.447 -6.809 10.703 66 HA ASN 13 HA ASN 13 -8.479 -4.730 10.230 67 HB2 ASN 13 1HB ASN 13 -6.535 -4.612 12.510 68 HB3 ASN 13 2HB ASN 13 -8.138 -3.895 12.377 69 HD21 ASN 13 1HD2 ASN 13 -9.754 -4.895 13.349 70 HD22 ASN 13 2HD2 ASN 13 -9.730 -6.521 13.932 71 HA PRO 14 HA PRO 14 -4.702 -3.263 8.040 72 HB2 PRO 14 1HB PRO 14 -6.076 -2.093 6.012 73 HB3 PRO 14 2HB PRO 14 -5.647 -3.807 6.017 74 HG2 PRO 14 1HG PRO 14 -8.245 -2.503 6.732 75 HG3 PRO 14 2HG PRO 14 -7.954 -3.967 5.776 76 HD2 PRO 14 1HD PRO 14 -8.710 -4.050 8.375 77 HD3 PRO 14 2HD PRO 14 -7.659 -5.282 7.646 78 H ARG 15 H ARG 15 -4.169 -1.009 7.332 79 HA ARG 15 HA ARG 15 -5.686 0.997 8.863 80 HB2 ARG 15 1HB ARG 15 -3.730 0.607 10.154 81 HB3 ARG 15 2HB ARG 15 -2.704 0.587 8.726 82 HG2 ARG 15 1HG ARG 15 -2.258 2.646 9.689 83 HG3 ARG 15 2HG ARG 15 -3.427 3.033 8.425 84 HD2 ARG 15 1HD ARG 15 -4.224 4.213 10.259 85 HD3 ARG 15 2HD ARG 15 -5.193 2.740 10.280 86 HE ARG 15 HE ARG 15 -2.806 2.631 11.897 87 HH11 ARG 15 1HH1 ARG 15 -6.191 3.437 11.786 88 HH12 ARG 15 2HH1 ARG 15 -6.419 3.276 13.496 89 HH21 ARG 15 1HH2 ARG 15 -3.093 2.416 14.149 90 HH22 ARG 15 2HH2 ARG 15 -4.656 2.696 14.839 91 H GLU 16 H GLU 16 -6.244 2.769 7.762 92 HA GLU 16 HA GLU 16 -5.306 3.030 5.011 93 HB2 GLU 16 1HB GLU 16 -7.717 3.081 5.388 94 HB3 GLU 16 2HB GLU 16 -7.534 4.439 6.490 95 HG2 GLU 16 1HG GLU 16 -6.399 5.544 4.381 96 HG3 GLU 16 2HG GLU 16 -7.390 4.362 3.528 97 H CYS 17 H CYS 17 -4.295 4.837 4.196 98 HA CYS 17 HA CYS 17 -3.600 6.978 6.074 99 HB2 CYS 17 1HB CYS 17 -1.654 5.370 4.417 100 HB3 CYS 17 2HB CYS 17 -1.250 6.925 5.133 101 HG CYS 17 HG CYS 17 -0.153 4.798 6.647 102 H LYS 18 H LYS 18 -4.318 8.793 5.195 103 HA LYS 18 HA LYS 18 -4.514 9.036 2.295 104 HB2 LYS 18 1HB LYS 18 -5.589 10.662 4.592 105 HB3 LYS 18 2HB LYS 18 -5.665 11.238 2.932 106 HG2 LYS 18 1HG LYS 18 -6.861 9.066 2.390 107 HG3 LYS 18 2HG LYS 18 -7.014 8.842 4.134 108 HD2 LYS 18 1HD LYS 18 -8.001 11.236 4.109 109 HD3 LYS 18 2HD LYS 18 -8.224 10.950 2.381 110 HE2 LYS 18 1HE LYS 18 -9.523 8.932 2.898 111 HE3 LYS 18 2HE LYS 18 -9.314 9.246 4.621 112 HZ1 LYS 18 3HZ LYS 18 -11.472 10.003 3.606 113 HZ2 LYS 18 1HZ LYS 18 -10.589 11.196 2.794 114 HZ3 LYS 18 2HZ LYS 18 -10.626 11.175 4.484 115 H LEU 19 H LEU 19 -3.127 10.164 1.096 116 HA LEU 19 HA LEU 19 -1.164 11.863 2.483 117 HB2 LEU 19 1HB LEU 19 -1.021 10.140 0.051 118 HB3 LEU 19 2HB LEU 19 0.055 11.529 0.191 119 HG LEU 19 HG LEU 19 0.838 10.546 2.383 120 HD11 LEU 19 1HD1 LEU 19 -0.451 8.031 1.351 121 HD12 LEU 19 2HD1 LEU 19 -1.161 9.041 2.611 122 HD13 LEU 19 3HD1 LEU 19 0.402 8.269 2.877 123 HD21 LEU 19 3HD2 LEU 19 2.487 9.297 1.340 124 HD22 LEU 19 1HD2 LEU 19 1.914 10.339 0.037 125 HD23 LEU 19 2HD2 LEU 19 1.379 8.661 0.123 126 H SER 20 H SER 20 -0.846 13.946 1.859 127 HA SER 20 HA SER 20 -2.403 14.943 -0.428 128 HB2 SER 20 1HB SER 20 -3.016 16.943 0.871 129 HB3 SER 20 2HB SER 20 -3.638 15.477 1.627 130 HG SER 20 HG SER 20 -2.274 15.714 3.257 131 H LYS 21 H LYS 21 -1.182 16.008 -1.827 132 HA LYS 21 HA LYS 21 1.085 17.588 -0.870 133 HB2 LYS 21 1HB LYS 21 2.662 16.608 -2.326 134 HB3 LYS 21 2HB LYS 21 1.839 15.255 -1.562 135 HG2 LYS 21 1HG LYS 21 0.561 14.820 -3.515 136 HG3 LYS 21 2HG LYS 21 1.085 16.328 -4.268 137 HD2 LYS 21 1HD LYS 21 3.449 15.402 -4.118 138 HD3 LYS 21 2HD LYS 21 2.704 13.850 -3.730 139 HE2 LYS 21 1HE LYS 21 1.519 13.846 -5.831 140 HE3 LYS 21 2HE LYS 21 2.106 15.466 -6.205 141 HZ1 LYS 21 3HZ LYS 21 4.313 14.653 -6.410 142 HZ2 LYS 21 1HZ LYS 21 3.326 13.631 -7.328 143 HZ3 LYS 21 2HZ LYS 21 3.889 13.128 -5.815 144 H GLN 22 H GLN 22 1.956 19.027 -2.584 145 HA GLN 22 HA GLN 22 -0.240 20.197 -4.060 146 HB2 GLN 22 1HB GLN 22 2.638 21.069 -3.758 147 HB3 GLN 22 2HB GLN 22 1.385 21.997 -4.572 148 HG2 GLN 22 1HG GLN 22 0.163 22.245 -2.516 149 HG3 GLN 22 2HG GLN 22 1.297 21.190 -1.675 150 HE21 GLN 22 1HE2 GLN 22 1.596 22.936 -0.191 151 HE22 GLN 22 2HE2 GLN 22 2.656 24.241 -0.586 152 H GLU 23 H GLU 23 0.123 20.944 -6.327 153 HA GLU 23 HA GLU 23 0.746 18.727 -7.980 154 HB2 GLU 23 1HB GLU 23 0.335 20.292 -9.855 155 HB3 GLU 23 2HB GLU 23 -0.949 20.314 -8.655 156 HG2 GLU 23 1HG GLU 23 0.029 22.356 -7.686 157 HG3 GLU 23 2HG GLU 23 1.247 22.349 -8.960 158 H GLY 24 H GLY 24 2.666 18.066 -8.667 159 HA2 GLY 24 1HA GLY 24 4.711 18.437 -9.844 160 HA3 GLY 24 2HA GLY 24 4.757 20.065 -9.183 161 H GLN 25 H GLN 25 4.212 19.329 -6.469 162 HA GLN 25 HA GLN 25 6.862 18.726 -5.632 163 HB2 GLN 25 1HB GLN 25 4.927 20.105 -4.473 164 HB3 GLN 25 2HB GLN 25 4.557 18.548 -3.743 165 HG2 GLN 25 1HG GLN 25 6.805 18.418 -2.833 166 HG3 GLN 25 2HG GLN 25 7.215 19.952 -3.598 167 HE21 GLN 25 1HE2 GLN 25 6.473 18.620 -0.752 168 HE22 GLN 25 2HE2 GLN 25 5.730 19.963 0.042 169 H ASN 26 H ASN 26 7.340 17.002 -4.000 170 HA ASN 26 HA ASN 26 6.284 14.462 -4.987 171 HB2 ASN 26 1HB ASN 26 8.779 14.953 -4.836 172 HB3 ASN 26 2HB ASN 26 8.598 14.843 -3.088 173 HD21 ASN 26 1HD2 ASN 26 9.869 13.052 -2.851 174 HD22 ASN 26 2HD2 ASN 26 9.416 11.487 -3.427 175 H TYR 27 H TYR 27 6.221 12.681 -3.225 176 HA TYR 27 HA TYR 27 4.447 13.666 -1.123 177 HB2 TYR 27 1HB TYR 27 4.856 11.052 -2.490 178 HB3 TYR 27 2HB TYR 27 4.257 11.021 -0.836 179 HD1 TYR 27 2HD TYR 27 2.345 13.000 -0.512 180 HD2 TYR 27 1HD TYR 27 3.208 10.844 -4.077 181 HE1 TYR 27 2HE TYR 27 0.067 13.445 -1.326 182 HE2 TYR 27 1HE TYR 27 0.933 11.284 -4.902 183 HH TYR 27 HH TYR 27 -0.914 12.625 -4.581 184 H GLY 28 H GLY 28 7.562 12.174 -1.574 185 HA2 GLY 28 1HA GLY 28 9.210 12.589 0.188 186 HA3 GLY 28 2HA GLY 28 7.943 12.239 1.355 187 H PHE 29 H PHE 29 6.941 9.957 -0.208 188 HA PHE 29 HA PHE 29 9.065 8.048 0.500 189 HB2 PHE 29 1HB PHE 29 7.471 6.558 1.234 190 HB3 PHE 29 2HB PHE 29 6.657 8.078 1.594 191 HD1 PHE 29 1HD PHE 29 4.940 8.943 -0.024 192 HD2 PHE 29 2HD PHE 29 6.539 5.005 -0.250 193 HE1 PHE 29 1HE PHE 29 3.029 8.251 -1.412 194 HE2 PHE 29 2HE PHE 29 4.632 4.307 -1.639 195 HZ PHE 29 HZ PHE 29 2.874 5.930 -2.222 196 H PHE 30 H PHE 30 9.369 6.186 -0.835 197 HA PHE 30 HA PHE 30 8.398 6.515 -3.595 198 HB2 PHE 30 1HB PHE 30 11.178 5.715 -2.713 199 HB3 PHE 30 2HB PHE 30 10.605 5.679 -4.377 200 HD1 PHE 30 1HD PHE 30 9.545 7.980 -5.187 201 HD2 PHE 30 2HD PHE 30 12.371 7.548 -2.034 202 HE1 PHE 30 1HE PHE 30 10.215 10.331 -5.469 203 HE2 PHE 30 2HE PHE 30 13.044 9.898 -2.310 204 HZ PHE 30 HZ PHE 30 11.965 11.293 -4.029 205 H LEU 31 H LEU 31 8.499 4.505 -4.885 206 HA LEU 31 HA LEU 31 7.727 2.222 -3.220 207 HB2 LEU 31 1HB LEU 31 7.108 3.096 -5.999 208 HB3 LEU 31 2HB LEU 31 7.023 1.379 -5.612 209 HG LEU 31 HG LEU 31 5.504 3.436 -4.035 210 HD11 LEU 31 1HD1 LEU 31 3.740 3.424 -5.484 211 HD12 LEU 31 2HD1 LEU 31 4.178 1.865 -6.182 212 HD13 LEU 31 3HD1 LEU 31 5.075 3.316 -6.632 213 HD21 LEU 31 3HD2 LEU 31 4.449 0.735 -4.458 214 HD22 LEU 31 1HD2 LEU 31 4.567 1.692 -2.982 215 HD23 LEU 31 2HD2 LEU 31 5.970 0.796 -3.566 216 H ARG 32 H ARG 32 9.242 0.759 -2.831 217 HA ARG 32 HA ARG 32 11.245 0.218 -4.924 218 HB2 ARG 32 1HB ARG 32 11.534 -0.098 -1.930 219 HB3 ARG 32 2HB ARG 32 12.770 -0.469 -3.125 220 HG2 ARG 32 1HG ARG 32 11.628 2.274 -3.085 221 HG3 ARG 32 2HG ARG 32 12.761 1.809 -1.814 222 HD2 ARG 32 1HD ARG 32 14.500 1.462 -3.320 223 HD3 ARG 32 2HD ARG 32 13.405 1.301 -4.693 224 HE ARG 32 HE ARG 32 13.067 3.872 -3.805 225 HH11 ARG 32 1HH1 ARG 32 15.745 1.948 -4.922 226 HH12 ARG 32 2HH1 ARG 32 16.610 3.298 -5.580 227 HH21 ARG 32 1HH2 ARG 32 14.196 5.657 -4.668 228 HH22 ARG 32 2HH2 ARG 32 15.728 5.407 -5.434 229 H ILE 33 H ILE 33 11.188 -1.738 -5.805 230 HA ILE 33 HA ILE 33 9.599 -3.824 -4.493 231 HB ILE 33 HB ILE 33 9.510 -4.935 -6.649 232 HG12 ILE 33 1HG1 ILE 33 10.433 -3.397 -8.611 233 HG13 ILE 33 2HG1 ILE 33 11.547 -2.870 -7.353 234 HG21 ILE 33 1HG2 ILE 33 8.918 -2.087 -7.312 235 HG22 ILE 33 2HG2 ILE 33 7.966 -3.536 -7.628 236 HG23 ILE 33 3HG2 ILE 33 8.048 -2.874 -5.996 237 HD11 ILE 33 3HD1 ILE 33 11.439 -5.376 -8.843 238 HD12 ILE 33 1HD1 ILE 33 12.794 -4.586 -8.035 239 HD13 ILE 33 2HD1 ILE 33 11.669 -5.577 -7.106 240 H GLU 34 H GLU 34 10.492 -5.634 -3.715 241 HA GLU 34 HA GLU 34 13.378 -6.016 -4.128 242 HB2 GLU 34 1HB GLU 34 11.526 -6.649 -1.862 243 HB3 GLU 34 2HB GLU 34 13.001 -7.585 -2.061 244 HG2 GLU 34 1HG GLU 34 13.147 -4.609 -2.056 245 HG3 GLU 34 2HG GLU 34 12.964 -5.477 -0.532 246 H LYS 35 H LYS 35 14.197 -8.161 -4.403 247 HA LYS 35 HA LYS 35 12.643 -9.720 -6.212 248 HB2 LYS 35 1HB LYS 35 15.353 -10.049 -4.954 249 HB3 LYS 35 2HB LYS 35 14.644 -11.339 -5.916 250 HG2 LYS 35 1HG LYS 35 15.867 -10.258 -7.508 251 HG3 LYS 35 2HG LYS 35 14.323 -9.419 -7.676 252 HD2 LYS 35 1HD LYS 35 15.794 -7.648 -7.592 253 HD3 LYS 35 2HD LYS 35 15.342 -7.802 -5.892 254 HE2 LYS 35 1HE LYS 35 17.399 -9.386 -5.765 255 HE3 LYS 35 2HE LYS 35 17.886 -8.586 -7.258 256 HZ1 LYS 35 3HZ LYS 35 18.808 -7.103 -5.885 257 HZ2 LYS 35 1HZ LYS 35 17.885 -7.588 -4.553 258 HZ3 LYS 35 2HZ LYS 35 17.238 -6.506 -5.681 259 H ASP 36 H ASP 36 11.667 -11.689 -5.941 260 HA ASP 36 HA ASP 36 10.455 -13.276 -4.844 261 HB2 ASP 36 1HB ASP 36 12.938 -13.307 -3.115 262 HB3 ASP 36 2HB ASP 36 11.689 -14.548 -3.105 263 H THR 37 H THR 37 9.578 -10.811 -4.190 264 HA THR 37 HA THR 37 8.772 -11.170 -1.396 265 HB THR 37 HB THR 37 9.635 -8.497 -2.516 266 HG1 THR 37 1HG THR 37 10.959 -10.458 -1.014 267 HG21 THR 37 3HG2 THR 37 8.114 -9.306 -0.171 268 HG22 THR 37 1HG2 THR 37 8.337 -7.704 -0.873 269 HG23 THR 37 2HG2 THR 37 9.539 -8.353 0.243 270 H ASP 38 H ASP 38 6.710 -10.441 -0.906 271 HA ASP 38 HA ASP 38 5.055 -9.786 -3.243 272 HB2 ASP 38 1HB ASP 38 4.299 -10.955 -0.558 273 HB3 ASP 38 2HB ASP 38 3.151 -10.559 -1.833 274 H GLY 39 H GLY 39 3.805 -7.978 -3.315 275 HA2 GLY 39 1HA GLY 39 2.742 -6.054 -2.520 276 HA3 GLY 39 2HA GLY 39 3.456 -6.341 -0.940 277 H HIS 40 H HIS 40 3.455 -3.812 -1.761 278 HA HIS 40 HA HIS 40 6.118 -3.299 -2.893 279 HB2 HIS 40 1HB HIS 40 3.550 -1.797 -2.891 280 HB3 HIS 40 2HB HIS 40 5.037 -0.854 -2.856 281 HD1 HIS 40 1HD HIS 40 6.697 -1.246 -4.910 282 HD2 HIS 40 2HD HIS 40 2.874 -2.813 -5.343 283 HE1 HIS 40 1HE HIS 40 6.435 -1.711 -7.368 284 HE2 HIS 40 2HE HIS 40 4.083 -2.579 -7.617 285 H LEU 41 H LEU 41 7.654 -3.013 -1.425 286 HA LEU 41 HA LEU 41 7.071 -2.262 1.280 287 HB2 LEU 41 1HB LEU 41 9.493 -2.998 -0.272 288 HB3 LEU 41 2HB LEU 41 9.721 -2.086 1.219 289 HG LEU 41 HG LEU 41 8.304 -3.935 2.318 290 HD11 LEU 41 1HD1 LEU 41 7.402 -5.182 0.608 291 HD12 LEU 41 2HD1 LEU 41 8.816 -6.146 1.034 292 HD13 LEU 41 3HD1 LEU 41 8.863 -5.089 -0.377 293 HD21 LEU 41 3HD2 LEU 41 10.299 -4.418 3.155 294 HD22 LEU 41 1HD2 LEU 41 11.080 -3.670 1.762 295 HD23 LEU 41 2HD2 LEU 41 10.665 -5.384 1.724 296 H ILE 42 H ILE 42 6.892 -0.272 2.053 297 HA ILE 42 HA ILE 42 7.634 1.992 0.391 298 HB ILE 42 HB ILE 42 6.229 1.895 3.063 299 HG12 ILE 42 1HG1 ILE 42 4.968 2.714 0.472 300 HG13 ILE 42 2HG1 ILE 42 5.147 1.003 0.841 301 HG21 ILE 42 1HG2 ILE 42 5.751 4.315 1.667 302 HG22 ILE 42 2HG2 ILE 42 6.549 4.083 3.222 303 HG23 ILE 42 3HG2 ILE 42 7.495 4.063 1.734 304 HD11 ILE 42 3HD1 ILE 42 3.496 3.068 2.227 305 HD12 ILE 42 1HD1 ILE 42 3.020 1.493 1.594 306 HD13 ILE 42 2HD1 ILE 42 3.990 1.596 3.064 307 H ARG 43 H ARG 43 9.644 2.737 0.493 308 HA ARG 43 HA ARG 43 10.881 3.076 3.132 309 HB2 ARG 43 1HB ARG 43 12.029 1.676 0.744 310 HB3 ARG 43 2HB ARG 43 13.096 2.519 1.859 311 HG2 ARG 43 1HG ARG 43 12.265 1.147 3.699 312 HG3 ARG 43 2HG ARG 43 11.188 0.304 2.583 313 HD2 ARG 43 1HD ARG 43 13.077 -1.089 2.845 314 HD3 ARG 43 2HD ARG 43 13.253 -0.321 1.267 315 HE ARG 43 HE ARG 43 15.106 0.800 2.044 316 HH11 ARG 43 1HH1 ARG 43 13.437 -0.706 4.702 317 HH12 ARG 43 2HH1 ARG 43 14.709 -0.409 5.840 318 HH21 ARG 43 1HH2 ARG 43 16.789 1.197 3.532 319 HH22 ARG 43 2HH2 ARG 43 16.615 0.674 5.174 320 H VAL 44 H VAL 44 12.908 4.506 2.910 321 HA VAL 44 HA VAL 44 13.852 6.504 2.354 322 HB VAL 44 HB VAL 44 12.352 6.428 -0.255 323 HG11 VAL 44 1HG1 VAL 44 14.585 7.958 0.881 324 HG12 VAL 44 2HG1 VAL 44 14.845 7.371 -0.763 325 HG13 VAL 44 3HG1 VAL 44 13.448 8.385 -0.397 326 HG21 VAL 44 3HG2 VAL 44 13.309 4.299 -0.244 327 HG22 VAL 44 1HG2 VAL 44 14.502 5.288 -1.087 328 HG23 VAL 44 2HG2 VAL 44 14.755 4.850 0.603 329 H ILE 45 H ILE 45 11.676 6.635 3.963 330 HA ILE 45 HA ILE 45 9.766 8.546 2.938 331 HB ILE 45 HB ILE 45 10.153 7.505 5.748 332 HG12 ILE 45 1HG1 ILE 45 8.055 6.748 3.708 333 HG13 ILE 45 2HG1 ILE 45 9.520 5.815 3.992 334 HG21 ILE 45 1HG2 ILE 45 7.552 8.594 4.917 335 HG22 ILE 45 2HG2 ILE 45 8.416 8.754 6.445 336 HG23 ILE 45 3HG2 ILE 45 8.851 9.776 5.074 337 HD11 ILE 45 3HD1 ILE 45 8.842 5.365 6.257 338 HD12 ILE 45 1HD1 ILE 45 7.425 6.397 6.069 339 HD13 ILE 45 2HD1 ILE 45 7.554 4.901 5.145 340 H GLU 46 H GLU 46 11.016 10.356 2.417 341 HA GLU 46 HA GLU 46 12.952 11.609 3.899 342 HB2 GLU 46 1HB GLU 46 12.033 12.217 1.583 343 HB3 GLU 46 2HB GLU 46 10.826 13.164 2.441 344 HG2 GLU 46 1HG GLU 46 12.459 14.609 3.344 345 HG3 GLU 46 2HG GLU 46 13.775 13.545 2.851 346 H GLU 47 H GLU 47 12.845 13.609 5.188 347 HA GLU 47 HA GLU 47 10.857 13.328 7.274 348 HB2 GLU 47 1HB GLU 47 13.394 14.886 6.957 349 HB3 GLU 47 2HB GLU 47 12.249 15.342 8.210 350 HG2 GLU 47 1HG GLU 47 12.495 13.313 9.339 351 HG3 GLU 47 2HG GLU 47 13.243 12.530 7.948 352 H GLY 48 H GLY 48 9.743 15.247 8.158 353 HA2 GLY 48 1HA GLY 48 8.158 16.884 7.839 354 HA3 GLY 48 2HA GLY 48 9.435 17.693 6.943 355 H SER 49 H SER 49 8.157 14.624 5.902 356 HA SER 49 HA SER 49 7.125 15.933 3.494 357 HB2 SER 49 1HB SER 49 7.467 13.930 2.352 358 HB3 SER 49 2HB SER 49 8.790 13.920 3.519 359 HG SER 49 HG SER 49 7.874 12.313 4.568 360 HA PRO 50 HA PRO 50 2.903 15.252 4.484 361 HB2 PRO 50 1HB PRO 50 1.857 14.802 2.020 362 HB3 PRO 50 2HB PRO 50 2.394 16.398 2.559 363 HG2 PRO 50 1HG PRO 50 3.815 14.401 0.839 364 HG3 PRO 50 2HG PRO 50 3.690 16.159 0.643 365 HD2 PRO 50 1HD PRO 50 5.884 14.962 1.686 366 HD3 PRO 50 2HD PRO 50 5.345 16.576 2.192 367 H ALA 51 H ALA 51 4.824 12.798 3.099 368 HA ALA 51 HA ALA 51 2.786 10.774 2.966 369 HB1 ALA 51 3HB ALA 51 5.616 10.992 2.313 370 HB2 ALA 51 1HB ALA 51 5.185 9.434 3.019 371 HB3 ALA 51 2HB ALA 51 4.354 10.007 1.573 372 H GLU 52 H GLU 52 5.268 11.755 5.267 373 HA GLU 52 HA GLU 52 4.905 9.524 7.011 374 HB2 GLU 52 1HB GLU 52 7.001 10.761 7.000 375 HB3 GLU 52 2HB GLU 52 6.166 12.229 7.491 376 HG2 GLU 52 1HG GLU 52 5.957 9.820 9.221 377 HG3 GLU 52 2HG GLU 52 7.456 10.748 9.226 378 H LYS 53 H LYS 53 3.762 12.880 7.010 379 HA LYS 53 HA LYS 53 2.532 13.134 9.402 380 HB2 LYS 53 1HB LYS 53 1.696 14.018 6.662 381 HB3 LYS 53 2HB LYS 53 0.657 14.347 8.042 382 HG2 LYS 53 1HG LYS 53 2.528 15.523 9.134 383 HG3 LYS 53 2HG LYS 53 3.507 15.253 7.690 384 HD2 LYS 53 1HD LYS 53 1.903 16.527 6.358 385 HD3 LYS 53 2HD LYS 53 0.904 16.780 7.791 386 HE2 LYS 53 1HE LYS 53 3.772 17.603 7.844 387 HE3 LYS 53 2HE LYS 53 2.602 18.614 6.996 388 HZ1 LYS 53 3HZ LYS 53 2.821 18.029 9.861 389 HZ2 LYS 53 1HZ LYS 53 1.287 18.339 9.217 390 HZ3 LYS 53 2HZ LYS 53 2.510 19.499 9.083 391 H ALA 54 H ALA 54 1.596 10.995 6.833 392 HA ALA 54 HA ALA 54 -0.983 10.389 8.013 393 HB1 ALA 54 3HB ALA 54 -1.483 9.734 5.954 394 HB2 ALA 54 1HB ALA 54 0.161 10.126 5.451 395 HB3 ALA 54 2HB ALA 54 -0.227 8.498 6.011 396 H GLY 55 H GLY 55 1.565 9.867 9.482 397 HA2 GLY 55 1HA GLY 55 2.334 8.275 10.947 398 HA3 GLY 55 2HA GLY 55 0.842 7.397 10.644 399 H LEU 56 H LEU 56 2.408 7.971 7.752 400 HA LEU 56 HA LEU 56 2.909 5.264 7.236 401 HB2 LEU 56 1HB LEU 56 2.592 7.222 5.607 402 HB3 LEU 56 2HB LEU 56 4.318 7.506 5.826 403 HG LEU 56 HG LEU 56 4.693 5.144 5.030 404 HD11 LEU 56 1HD1 LEU 56 3.017 3.798 4.417 405 HD12 LEU 56 2HD1 LEU 56 2.128 5.102 3.631 406 HD13 LEU 56 3HD1 LEU 56 1.998 4.873 5.375 407 HD21 LEU 56 3HD2 LEU 56 5.008 7.150 3.618 408 HD22 LEU 56 1HD2 LEU 56 3.336 6.998 3.077 409 HD23 LEU 56 2HD2 LEU 56 4.504 5.731 2.699 410 H LEU 57 H LEU 57 4.698 3.995 7.366 411 HA LEU 57 HA LEU 57 7.192 5.206 8.330 412 HB2 LEU 57 1HB LEU 57 5.612 3.006 9.586 413 HB3 LEU 57 2HB LEU 57 7.368 3.006 9.728 414 HG LEU 57 HG LEU 57 5.884 5.468 10.507 415 HD11 LEU 57 1HD1 LEU 57 5.544 4.578 12.764 416 HD12 LEU 57 2HD1 LEU 57 6.065 2.987 12.211 417 HD13 LEU 57 3HD1 LEU 57 4.590 3.705 11.565 418 HD21 LEU 57 3HD2 LEU 57 8.252 4.082 11.750 419 HD22 LEU 57 1HD2 LEU 57 7.700 5.734 12.027 420 HD23 LEU 57 2HD2 LEU 57 8.381 5.283 10.464 421 H ASP 58 H ASP 58 9.026 3.563 8.234 422 HA ASP 58 HA ASP 58 9.087 2.472 5.577 423 HB2 ASP 58 1HB ASP 58 11.421 1.877 6.123 424 HB3 ASP 58 2HB ASP 58 11.067 3.563 6.489 425 H GLY 59 H GLY 59 9.241 0.331 4.958 426 HA2 GLY 59 1HA GLY 59 9.385 -1.999 5.318 427 HA3 GLY 59 2HA GLY 59 9.076 -1.731 7.027 428 H ASP 60 H ASP 60 6.851 0.159 5.751 429 HA ASP 60 HA ASP 60 4.748 -1.765 6.125 430 HB2 ASP 60 1HB ASP 60 4.770 1.173 5.442 431 HB3 ASP 60 2HB ASP 60 3.281 0.236 5.528 432 H ARG 61 H ARG 61 3.292 -2.529 4.613 433 HA ARG 61 HA ARG 61 4.116 -2.191 1.805 434 HB2 ARG 61 1HB ARG 61 3.124 -4.534 3.359 435 HB3 ARG 61 2HB ARG 61 2.690 -4.428 1.659 436 HG2 ARG 61 1HG ARG 61 4.618 -5.655 1.550 437 HG3 ARG 61 2HG ARG 61 5.247 -4.020 1.329 438 HD2 ARG 61 1HD ARG 61 6.182 -3.951 3.424 439 HD3 ARG 61 2HD ARG 61 5.034 -5.110 4.092 440 HE ARG 61 HE ARG 61 6.683 -6.360 2.165 441 HH11 ARG 61 1HH1 ARG 61 6.736 -5.107 5.413 442 HH12 ARG 61 2HH1 ARG 61 7.991 -6.177 5.945 443 HH21 ARG 61 1HH2 ARG 61 8.336 -7.774 2.853 444 HH22 ARG 61 2HH2 ARG 61 8.901 -7.693 4.488 445 H VAL 62 H VAL 62 2.574 -1.818 0.232 446 HA VAL 62 HA VAL 62 0.049 -0.738 1.221 447 HB VAL 62 HB VAL 62 1.045 0.795 -0.225 448 HG11 VAL 62 1HG1 VAL 62 1.629 -0.224 -2.656 449 HG12 VAL 62 2HG1 VAL 62 2.800 -0.074 -1.344 450 HG13 VAL 62 3HG1 VAL 62 1.988 -1.614 -1.632 451 HG21 VAL 62 3HG2 VAL 62 -0.626 -0.616 -2.261 452 HG22 VAL 62 1HG2 VAL 62 -1.374 0.005 -0.790 453 HG23 VAL 62 2HG2 VAL 62 -0.532 1.104 -1.883 454 H LEU 63 H LEU 63 -1.810 -1.800 1.060 455 HA LEU 63 HA LEU 63 -1.903 -4.337 -0.327 456 HB2 LEU 63 1HB LEU 63 -4.068 -2.905 1.207 457 HB3 LEU 63 2HB LEU 63 -4.094 -4.588 0.684 458 HG LEU 63 HG LEU 63 -1.986 -3.589 2.570 459 HD11 LEU 63 1HD1 LEU 63 -3.588 -3.112 4.051 460 HD12 LEU 63 2HD1 LEU 63 -3.822 -4.856 4.158 461 HD13 LEU 63 3HD1 LEU 63 -4.841 -3.894 3.087 462 HD21 LEU 63 3HD2 LEU 63 -3.120 -6.280 2.810 463 HD22 LEU 63 1HD2 LEU 63 -1.438 -5.751 2.798 464 HD23 LEU 63 2HD2 LEU 63 -2.305 -5.964 1.277 465 H ARG 64 H ARG 64 -3.641 -1.238 -0.480 466 HA ARG 64 HA ARG 64 -4.238 -1.797 -3.295 467 HB2 ARG 64 1HB ARG 64 -6.233 -0.930 -1.201 468 HB3 ARG 64 2HB ARG 64 -6.526 -0.790 -2.929 469 HG2 ARG 64 1HG ARG 64 -6.331 -3.198 -3.179 470 HG3 ARG 64 2HG ARG 64 -5.975 -3.359 -1.458 471 HD2 ARG 64 1HD ARG 64 -8.137 -2.874 -0.829 472 HD3 ARG 64 2HD ARG 64 -8.476 -1.973 -2.306 473 HE ARG 64 HE ARG 64 -8.882 -4.759 -1.871 474 HH11 ARG 64 1HH1 ARG 64 -8.068 -2.395 -4.293 475 HH12 ARG 64 2HH1 ARG 64 -8.666 -3.348 -5.611 476 HH21 ARG 64 1HH2 ARG 64 -9.673 -6.023 -3.598 477 HH22 ARG 64 2HH2 ARG 64 -9.579 -5.411 -5.214 478 H ILE 65 H ILE 65 -4.144 -0.046 -4.627 479 HA ILE 65 HA ILE 65 -3.355 2.496 -3.369 480 HB ILE 65 HB ILE 65 -1.791 1.216 -5.009 481 HG12 ILE 65 1HG1 ILE 65 -1.197 3.384 -4.201 482 HG13 ILE 65 2HG1 ILE 65 -1.007 3.428 -5.950 483 HG21 ILE 65 1HG2 ILE 65 -2.109 1.661 -7.337 484 HG22 ILE 65 2HG2 ILE 65 -3.587 0.928 -6.716 485 HG23 ILE 65 3HG2 ILE 65 -3.520 2.666 -7.005 486 HD11 ILE 65 3HD1 ILE 65 -3.012 4.777 -4.223 487 HD12 ILE 65 1HD1 ILE 65 -2.072 5.410 -5.573 488 HD13 ILE 65 2HD1 ILE 65 -3.452 4.356 -5.877 489 H ASN 66 H ASN 66 -4.702 4.157 -3.519 490 HA ASN 66 HA ASN 66 -6.578 5.356 -4.036 491 HB2 ASN 66 1HB ASN 66 -4.899 5.736 -5.970 492 HB3 ASN 66 2HB ASN 66 -5.981 4.714 -6.913 493 HD21 ASN 66 1HD2 ASN 66 -5.765 7.683 -5.054 494 HD22 ASN 66 2HD2 ASN 66 -7.083 8.485 -5.832 495 H GLY 67 H GLY 67 -6.894 2.406 -3.740 496 HA2 GLY 67 1HA GLY 67 -8.919 1.213 -3.630 497 HA3 GLY 67 2HA GLY 67 -9.584 2.273 -4.865 498 H VAL 68 H VAL 68 -6.461 0.835 -5.325 499 HA VAL 68 HA VAL 68 -7.625 -1.184 -7.119 500 HB VAL 68 HB VAL 68 -5.257 0.556 -7.821 501 HG11 VAL 68 1HG1 VAL 68 -4.820 -0.855 -9.486 502 HG12 VAL 68 2HG1 VAL 68 -5.939 -1.985 -8.722 503 HG13 VAL 68 3HG1 VAL 68 -6.511 -0.894 -9.984 504 HG21 VAL 68 3HG2 VAL 68 -6.676 1.624 -9.448 505 HG22 VAL 68 1HG2 VAL 68 -8.026 0.576 -9.015 506 HG23 VAL 68 2HG2 VAL 68 -7.426 1.764 -7.858 507 H PHE 69 H PHE 69 -7.007 -3.099 -6.379 508 HA PHE 69 HA PHE 69 -4.916 -3.560 -4.585 509 HB2 PHE 69 1HB PHE 69 -6.916 -5.063 -5.126 510 HB3 PHE 69 2HB PHE 69 -5.971 -5.639 -6.496 511 HD1 PHE 69 2HD PHE 69 -5.826 -5.244 -2.803 512 HD2 PHE 69 1HD PHE 69 -4.481 -7.389 -6.224 513 HE1 PHE 69 2HE PHE 69 -4.700 -6.868 -1.337 514 HE2 PHE 69 1HE PHE 69 -3.354 -9.018 -4.764 515 HZ PHE 69 HZ PHE 69 -3.462 -8.758 -2.317 516 H VAL 70 H VAL 70 -2.834 -3.201 -4.970 517 HA VAL 70 HA VAL 70 -1.723 -4.067 -7.561 518 HB VAL 70 HB VAL 70 0.016 -2.330 -7.282 519 HG11 VAL 70 1HG1 VAL 70 -2.060 -1.949 -8.605 520 HG12 VAL 70 2HG1 VAL 70 -2.761 -1.162 -7.190 521 HG13 VAL 70 3HG1 VAL 70 -1.335 -0.474 -7.967 522 HG21 VAL 70 3HG2 VAL 70 -1.577 -1.727 -4.817 523 HG22 VAL 70 1HG2 VAL 70 0.168 -1.903 -5.002 524 HG23 VAL 70 2HG2 VAL 70 -0.643 -0.464 -5.620 525 H ASP 71 H ASP 71 -1.894 -5.937 -5.617 526 HA ASP 71 HA ASP 71 0.512 -6.011 -4.028 527 HB2 ASP 71 1HB ASP 71 -1.811 -7.055 -3.486 528 HB3 ASP 71 2HB ASP 71 -1.266 -8.384 -4.506 529 H LYS 72 H LYS 72 -0.617 -7.339 -7.061 530 HA LYS 72 HA LYS 72 1.937 -8.765 -7.380 531 HB2 LYS 72 1HB LYS 72 -0.003 -10.208 -7.614 532 HB3 LYS 72 2HB LYS 72 -0.702 -9.125 -8.810 533 HG2 LYS 72 1HG LYS 72 0.193 -10.899 -10.042 534 HG3 LYS 72 2HG LYS 72 1.365 -9.590 -10.214 535 HD2 LYS 72 1HD LYS 72 1.767 -11.457 -7.952 536 HD3 LYS 72 2HD LYS 72 2.058 -12.095 -9.572 537 HE2 LYS 72 1HE LYS 72 3.244 -9.487 -8.682 538 HE3 LYS 72 2HE LYS 72 4.024 -11.022 -8.305 539 HZ1 LYS 72 3HZ LYS 72 4.804 -9.905 -10.384 540 HZ2 LYS 72 1HZ LYS 72 3.285 -10.217 -11.060 541 HZ3 LYS 72 2HZ LYS 72 4.282 -11.501 -10.591 542 H GLU 73 H GLU 73 0.037 -6.141 -8.520 543 HA GLU 73 HA GLU 73 0.860 -5.803 -11.128 544 HB2 GLU 73 1HB GLU 73 0.355 -3.731 -8.991 545 HB3 GLU 73 2HB GLU 73 0.600 -3.334 -10.686 546 HG2 GLU 73 1HG GLU 73 -1.545 -5.224 -9.780 547 HG3 GLU 73 2HG GLU 73 -1.792 -3.481 -9.864 548 H GLU 74 H GLU 74 2.420 -4.137 -11.960 549 HA GLU 74 HA GLU 74 5.013 -4.587 -10.692 550 HB2 GLU 74 1HB GLU 74 4.091 -3.917 -13.440 551 HB3 GLU 74 2HB GLU 74 5.681 -3.341 -12.958 552 HG2 GLU 74 1HG GLU 74 6.563 -5.441 -12.832 553 HG3 GLU 74 2HG GLU 74 5.010 -6.191 -12.465 554 H HIS 75 H HIS 75 6.532 -2.857 -10.416 555 HA HIS 75 HA HIS 75 5.630 -0.685 -9.007 556 HB2 HIS 75 1HB HIS 75 7.922 -1.180 -8.818 557 HB3 HIS 75 2HB HIS 75 8.168 -1.128 -10.561 558 HD1 HIS 75 1HD HIS 75 6.506 1.581 -8.512 559 HD2 HIS 75 2HD HIS 75 9.996 0.910 -10.664 560 HE1 HIS 75 1HE HIS 75 7.674 3.806 -8.611 561 HE2 HIS 75 2HE HIS 75 9.741 3.394 -9.990 562 H ALA 76 H ALA 76 6.318 -0.865 -12.475 563 HA ALA 76 HA ALA 76 5.864 1.858 -13.050 564 HB1 ALA 76 3HB ALA 76 6.207 1.300 -15.223 565 HB2 ALA 76 1HB ALA 76 6.863 -0.157 -14.476 566 HB3 ALA 76 2HB ALA 76 5.222 -0.159 -15.121 567 H GLN 77 H GLN 77 3.718 -0.870 -12.669 568 HA GLN 77 HA GLN 77 1.439 0.332 -13.882 569 HB2 GLN 77 1HB GLN 77 1.643 -1.933 -11.891 570 HB3 GLN 77 2HB GLN 77 0.177 -1.483 -12.753 571 HG2 GLN 77 1HG GLN 77 2.732 -2.399 -14.054 572 HG3 GLN 77 2HG GLN 77 1.328 -3.418 -13.741 573 HE21 GLN 77 1HE2 GLN 77 -0.774 -2.405 -14.607 574 HE22 GLN 77 2HE2 GLN 77 -0.692 -1.795 -16.221 575 H VAL 78 H VAL 78 2.752 0.260 -10.627 576 HA VAL 78 HA VAL 78 0.441 1.504 -9.440 577 HB VAL 78 HB VAL 78 3.211 1.172 -8.280 578 HG11 VAL 78 1HG1 VAL 78 1.457 1.123 -6.201 579 HG12 VAL 78 2HG1 VAL 78 2.349 2.551 -6.730 580 HG13 VAL 78 3HG1 VAL 78 0.692 2.291 -7.277 581 HG21 VAL 78 3HG2 VAL 78 0.796 -0.606 -7.947 582 HG22 VAL 78 1HG2 VAL 78 2.190 -0.971 -8.965 583 HG23 VAL 78 2HG2 VAL 78 2.385 -0.837 -7.218 584 H VAL 79 H VAL 79 3.837 2.556 -9.781 585 HA VAL 79 HA VAL 79 3.809 5.095 -8.984 586 HB VAL 79 HB VAL 79 5.692 3.914 -10.201 587 HG11 VAL 79 1HG1 VAL 79 5.914 4.280 -12.585 588 HG12 VAL 79 2HG1 VAL 79 4.420 3.402 -12.249 589 HG13 VAL 79 3HG1 VAL 79 4.367 5.125 -12.625 590 HG21 VAL 79 3HG2 VAL 79 6.580 5.913 -9.776 591 HG22 VAL 79 1HG2 VAL 79 6.123 6.377 -11.415 592 HG23 VAL 79 2HG2 VAL 79 5.043 6.729 -10.065 593 H GLU 80 H GLU 80 2.409 3.992 -12.042 594 HA GLU 80 HA GLU 80 1.688 6.550 -13.003 595 HB2 GLU 80 1HB GLU 80 1.820 4.638 -14.495 596 HB3 GLU 80 2HB GLU 80 0.533 3.825 -13.615 597 HG2 GLU 80 1HG GLU 80 -1.030 5.586 -14.289 598 HG3 GLU 80 2HG GLU 80 0.262 6.372 -15.195 599 H LEU 81 H LEU 81 -0.144 4.074 -11.234 600 HA LEU 81 HA LEU 81 -2.602 5.395 -11.159 601 HB2 LEU 81 1HB LEU 81 -1.296 3.372 -9.380 602 HB3 LEU 81 2HB LEU 81 -2.868 4.050 -8.964 603 HG LEU 81 HG LEU 81 -2.363 2.701 -11.602 604 HD11 LEU 81 1HD1 LEU 81 -3.645 1.280 -9.314 605 HD12 LEU 81 2HD1 LEU 81 -1.887 1.296 -9.455 606 HD13 LEU 81 3HD1 LEU 81 -2.871 0.625 -10.756 607 HD21 LEU 81 3HD2 LEU 81 -4.462 3.302 -11.991 608 HD22 LEU 81 1HD2 LEU 81 -4.554 4.071 -10.407 609 HD23 LEU 81 2HD2 LEU 81 -4.984 2.370 -10.587 610 H VAL 82 H VAL 82 0.089 5.469 -8.838 611 HA VAL 82 HA VAL 82 -1.094 7.163 -6.952 612 HB VAL 82 HB VAL 82 1.840 6.960 -7.644 613 HG11 VAL 82 1HG1 VAL 82 0.548 8.729 -5.934 614 HG12 VAL 82 2HG1 VAL 82 1.186 7.470 -4.875 615 HG13 VAL 82 3HG1 VAL 82 2.269 8.346 -5.957 616 HG21 VAL 82 3HG2 VAL 82 1.944 5.307 -5.835 617 HG22 VAL 82 1HG2 VAL 82 0.193 5.409 -5.648 618 HG23 VAL 82 2HG2 VAL 82 0.885 4.776 -7.141 619 H ARG 83 H ARG 83 0.504 7.845 -9.986 620 HA ARG 83 HA ARG 83 0.844 10.640 -9.551 621 HB2 ARG 83 1HB ARG 83 2.236 9.668 -11.195 622 HB3 ARG 83 2HB ARG 83 0.879 8.900 -12.007 623 HG2 ARG 83 1HG ARG 83 0.263 10.817 -13.094 624 HG3 ARG 83 2HG ARG 83 0.953 11.869 -11.856 625 HD2 ARG 83 1HD ARG 83 2.727 10.135 -13.528 626 HD3 ARG 83 2HD ARG 83 2.123 11.664 -14.165 627 HE ARG 83 HE ARG 83 3.284 11.989 -11.588 628 HH11 ARG 83 1HH1 ARG 83 4.053 11.595 -14.960 629 HH12 ARG 83 2HH1 ARG 83 5.576 12.412 -14.843 630 HH21 ARG 83 1HH2 ARG 83 5.287 13.067 -11.420 631 HH22 ARG 83 2HH2 ARG 83 6.277 13.248 -12.828 632 H LYS 84 H LYS 84 -1.396 8.890 -11.713 633 HA LYS 84 HA LYS 84 -3.002 11.100 -12.322 634 HB2 LYS 84 1HB LYS 84 -4.604 9.513 -13.184 635 HB3 LYS 84 2HB LYS 84 -2.984 8.961 -13.586 636 HG2 LYS 84 1HG LYS 84 -3.091 7.434 -11.621 637 HG3 LYS 84 2HG LYS 84 -4.780 7.905 -11.416 638 HD2 LYS 84 1HD LYS 84 -3.728 6.806 -14.009 639 HD3 LYS 84 2HD LYS 84 -4.319 5.759 -12.716 640 HE2 LYS 84 1HE LYS 84 -6.189 6.049 -14.067 641 HE3 LYS 84 2HE LYS 84 -6.429 7.235 -12.785 642 HZ1 LYS 84 3HZ LYS 84 -6.287 7.674 -15.544 643 HZ2 LYS 84 1HZ LYS 84 -4.955 8.441 -14.836 644 HZ3 LYS 84 2HZ LYS 84 -6.520 8.813 -14.314 645 H SER 85 H SER 85 -3.069 8.858 -9.636 646 HA SER 85 HA SER 85 -5.502 8.997 -8.543 647 HB2 SER 85 1HB SER 85 -2.800 9.233 -7.270 648 HB3 SER 85 2HB SER 85 -4.242 9.383 -6.267 649 HG SER 85 HG SER 85 -3.353 7.203 -6.525 650 H GLY 86 H GLY 86 -3.093 11.597 -8.135 651 HA2 GLY 86 1HA GLY 86 -3.922 13.897 -8.517 652 HA3 GLY 86 2HA GLY 86 -5.348 13.433 -7.601 653 H ASN 87 H ASN 87 -4.186 15.643 -6.757 654 HA ASN 87 HA ASN 87 -2.032 15.677 -5.101 655 HB2 ASN 87 1HB ASN 87 -4.646 17.099 -5.072 656 HB3 ASN 87 2HB ASN 87 -3.639 17.232 -3.634 657 HD21 ASN 87 1HD2 ASN 87 -2.878 17.093 -7.093 658 HD22 ASN 87 2HD2 ASN 87 -1.991 18.575 -7.132 659 H SER 88 H SER 88 -5.210 14.337 -4.395 660 HA SER 88 HA SER 88 -4.230 13.439 -1.773 661 HB2 SER 88 1HB SER 88 -6.600 13.076 -1.202 662 HB3 SER 88 2HB SER 88 -6.309 14.741 -1.707 663 HG SER 88 HG SER 88 -7.448 14.421 -3.483 664 H VAL 89 H VAL 89 -3.547 11.416 -1.647 665 HA VAL 89 HA VAL 89 -4.786 9.396 -3.401 666 HB VAL 89 HB VAL 89 -1.922 9.349 -2.450 667 HG11 VAL 89 1HG1 VAL 89 -2.831 7.153 -2.903 668 HG12 VAL 89 2HG1 VAL 89 -3.417 7.691 -4.478 669 HG13 VAL 89 3HG1 VAL 89 -1.683 7.596 -4.166 670 HG21 VAL 89 3HG2 VAL 89 -2.850 11.129 -4.256 671 HG22 VAL 89 1HG2 VAL 89 -1.225 10.445 -4.293 672 HG23 VAL 89 2HG2 VAL 89 -2.492 9.761 -5.310 673 H THR 90 H THR 90 -5.212 7.384 -2.529 674 HA THR 90 HA THR 90 -5.057 7.244 0.407 675 HB THR 90 HB THR 90 -6.905 5.690 -1.413 676 HG1 THR 90 1HG THR 90 -7.389 8.027 0.150 677 HG21 THR 90 3HG2 THR 90 -7.534 6.130 1.436 678 HG22 THR 90 1HG2 THR 90 -6.179 5.051 1.108 679 HG23 THR 90 2HG2 THR 90 -7.769 4.701 0.431 680 H LEU 91 H LEU 91 -4.265 5.428 1.424 681 HA LEU 91 HA LEU 91 -3.337 3.187 -0.191 682 HB2 LEU 91 1HB LEU 91 -1.473 4.651 1.666 683 HB3 LEU 91 2HB LEU 91 -1.088 3.272 0.638 684 HG LEU 91 HG LEU 91 -1.789 6.041 -0.336 685 HD11 LEU 91 1HD1 LEU 91 0.810 4.628 0.119 686 HD12 LEU 91 2HD1 LEU 91 0.336 6.266 0.568 687 HD13 LEU 91 3HD1 LEU 91 0.660 5.874 -1.121 688 HD21 LEU 91 3HD2 LEU 91 -0.470 4.214 -2.173 689 HD22 LEU 91 1HD2 LEU 91 -1.894 5.228 -2.410 690 HD23 LEU 91 2HD2 LEU 91 -2.058 3.639 -1.661 691 H LEU 92 H LEU 92 -3.353 1.270 0.881 692 HA LEU 92 HA LEU 92 -4.208 1.358 3.695 693 HB2 LEU 92 1HB LEU 92 -4.660 -0.689 1.536 694 HB3 LEU 92 2HB LEU 92 -5.035 -0.975 3.234 695 HG LEU 92 HG LEU 92 -6.264 1.254 1.623 696 HD11 LEU 92 1HD1 LEU 92 -6.884 -1.614 1.703 697 HD12 LEU 92 2HD1 LEU 92 -7.305 -0.391 0.506 698 HD13 LEU 92 3HD1 LEU 92 -8.257 -0.543 1.982 699 HD21 LEU 92 3HD2 LEU 92 -7.908 1.273 3.418 700 HD22 LEU 92 1HD2 LEU 92 -6.285 1.533 4.057 701 HD23 LEU 92 2HD2 LEU 92 -7.058 -0.043 4.229 702 H VAL 93 H VAL 93 -2.587 0.984 5.052 703 HA VAL 93 HA VAL 93 -0.449 -0.865 4.256 704 HB VAL 93 HB VAL 93 0.870 0.099 6.071 705 HG11 VAL 93 1HG1 VAL 93 -0.285 1.778 3.925 706 HG12 VAL 93 2HG1 VAL 93 0.654 2.604 5.170 707 HG13 VAL 93 3HG1 VAL 93 1.388 1.309 4.224 708 HG21 VAL 93 3HG2 VAL 93 0.006 2.092 7.281 709 HG22 VAL 93 1HG2 VAL 93 -1.581 1.781 6.577 710 HG23 VAL 93 2HG2 VAL 93 -0.855 0.602 7.670 711 H LEU 94 H LEU 94 0.072 -2.651 5.453 712 HA LEU 94 HA LEU 94 -1.785 -3.333 7.637 713 HB2 LEU 94 1HB LEU 94 -1.887 -4.667 5.473 714 HB3 LEU 94 2HB LEU 94 -0.308 -5.309 5.919 715 HG LEU 94 HG LEU 94 -1.273 -6.294 7.937 716 HD11 LEU 94 1HD1 LEU 94 -3.030 -4.915 8.574 717 HD12 LEU 94 2HD1 LEU 94 -3.847 -6.357 7.973 718 HD13 LEU 94 3HD1 LEU 94 -3.746 -4.915 6.962 719 HD21 LEU 94 3HD2 LEU 94 -2.454 -6.945 5.265 720 HD22 LEU 94 1HD2 LEU 94 -2.925 -7.855 6.701 721 HD23 LEU 94 2HD2 LEU 94 -1.236 -7.821 6.194 722 H ASP 95 H ASP 95 -0.894 -4.869 9.252 723 HA ASP 95 HA ASP 95 1.702 -3.947 10.123 724 HB2 ASP 95 1HB ASP 95 -0.404 -4.414 11.579 725 HB3 ASP 95 2HB ASP 95 0.118 -6.094 11.502 726 H GLY 96 H GLY 96 3.555 -5.164 10.364 727 HA2 GLY 96 1HA GLY 96 4.242 -7.021 8.479 728 HA3 GLY 96 2HA GLY 96 5.028 -6.906 10.047 729 H ASP 97 H ASP 97 3.879 -8.045 11.862 730 HA ASP 97 HA ASP 97 3.783 -10.714 11.577 731 HB2 ASP 97 1HB ASP 97 2.390 -8.856 13.436 732 HB3 ASP 97 2HB ASP 97 1.869 -10.539 13.436 733 H SER 98 H SER 98 0.946 -8.597 11.213 734 HA SER 98 HA SER 98 -0.978 -10.492 10.669 735 HB2 SER 98 1HB SER 98 -1.513 -8.124 10.946 736 HB3 SER 98 2HB SER 98 -0.689 -7.742 9.434 737 HG SER 98 HG SER 98 -2.817 -7.913 8.922 738 H TYR 99 H TYR 99 0.792 -8.655 8.172 739 HA TYR 99 HA TYR 99 -0.047 -10.016 5.949 740 HB2 TYR 99 1HB TYR 99 1.542 -7.984 6.158 741 HB3 TYR 99 2HB TYR 99 2.830 -9.182 6.225 742 HD1 TYR 99 2HD TYR 99 2.975 -10.860 4.283 743 HD2 TYR 99 1HD TYR 99 0.707 -7.265 4.100 744 HE1 TYR 99 2HE TYR 99 3.000 -10.976 1.826 745 HE2 TYR 99 1HE TYR 99 0.725 -7.372 1.642 746 HH TYR 99 HH TYR 99 2.700 -9.636 -0.084 747 H GLU 100 H GLU 100 3.144 -10.654 7.405 748 HA GLU 100 HA GLU 100 3.851 -12.930 6.162 749 HB2 GLU 100 1HB GLU 100 4.103 -12.551 9.150 750 HB3 GLU 100 2HB GLU 100 5.104 -13.584 8.140 751 HG2 GLU 100 1HG GLU 100 5.790 -11.493 6.903 752 HG3 GLU 100 2HG GLU 100 5.004 -10.585 8.193 753 H LYS 101 H LYS 101 1.595 -12.746 8.888 754 HA LYS 101 HA LYS 101 1.160 -15.519 9.149 755 HB2 LYS 101 1HB LYS 101 0.529 -14.051 10.940 756 HB3 LYS 101 2HB LYS 101 -0.549 -13.142 9.889 757 HG2 LYS 101 1HG LYS 101 -2.052 -15.012 9.728 758 HG3 LYS 101 2HG LYS 101 -0.935 -16.033 10.637 759 HD2 LYS 101 1HD LYS 101 -1.865 -13.492 11.879 760 HD3 LYS 101 2HD LYS 101 -2.988 -14.852 11.806 761 HE2 LYS 101 1HE LYS 101 -1.415 -16.259 12.987 762 HE3 LYS 101 2HE LYS 101 -0.206 -14.976 12.967 763 HZ1 LYS 101 3HZ LYS 101 -1.736 -15.380 15.042 764 HZ2 LYS 101 1HZ LYS 101 -2.807 -14.396 14.178 765 HZ3 LYS 101 2HZ LYS 101 -1.273 -13.817 14.589 766 H ALA 102 H ALA 102 -0.754 -13.017 7.484 767 HA ALA 102 HA ALA 102 -2.717 -14.721 6.447 768 HB1 ALA 102 3HB ALA 102 -2.372 -12.651 4.587 769 HB2 ALA 102 1HB ALA 102 -3.531 -12.727 5.915 770 HB3 ALA 102 2HB ALA 102 -1.956 -11.970 6.160 771 H VAL 103 H VAL 103 -0.017 -13.257 4.624 772 HA VAL 103 HA VAL 103 -0.199 -14.598 2.278 773 HB VAL 103 HB VAL 103 1.521 -12.896 2.756 774 HG11 VAL 103 1HG1 VAL 103 2.197 -13.816 4.962 775 HG12 VAL 103 2HG1 VAL 103 3.036 -15.119 4.118 776 HG13 VAL 103 3HG1 VAL 103 3.559 -13.448 3.904 777 HG21 VAL 103 3HG2 VAL 103 1.838 -14.071 0.740 778 HG22 VAL 103 1HG2 VAL 103 3.413 -14.084 1.536 779 HG23 VAL 103 2HG2 VAL 103 2.392 -15.521 1.577 780 H LYS 104 H LYS 104 0.921 -15.888 5.328 781 HA LYS 104 HA LYS 104 2.006 -18.302 4.246 782 HB2 LYS 104 1HB LYS 104 1.420 -17.244 6.968 783 HB3 LYS 104 2HB LYS 104 1.604 -18.984 6.790 784 HG2 LYS 104 1HG LYS 104 3.651 -17.019 5.803 785 HG3 LYS 104 2HG LYS 104 3.676 -17.705 7.429 786 HD2 LYS 104 1HD LYS 104 4.022 -19.887 6.615 787 HD3 LYS 104 2HD LYS 104 3.571 -19.432 4.970 788 HE2 LYS 104 1HE LYS 104 5.584 -17.971 4.892 789 HE3 LYS 104 2HE LYS 104 6.050 -18.598 6.473 790 HZ1 LYS 104 3HZ LYS 104 6.007 -19.971 3.874 791 HZ2 LYS 104 1HZ LYS 104 5.823 -20.875 5.292 792 HZ3 LYS 104 2HZ LYS 104 7.218 -19.950 5.055 793 H ASN 105 H ASN 105 -1.053 -17.432 5.819 794 HA ASN 105 HA ASN 105 -2.111 -20.103 5.338 795 HB2 ASN 105 1HB ASN 105 -3.433 -17.708 6.632 796 HB3 ASN 105 2HB ASN 105 -4.051 -19.357 6.622 797 HD21 ASN 105 1HD2 ASN 105 -2.801 -17.237 8.603 798 HD22 ASN 105 2HD2 ASN 105 -1.846 -18.242 9.634 799 H GLN 106 H GLN 106 -1.507 -18.051 3.194 800 HA GLN 106 HA GLN 106 -2.490 -17.090 1.352 801 HB2 GLN 106 1HB GLN 106 -3.541 -19.872 1.603 802 HB3 GLN 106 2HB GLN 106 -4.205 -18.840 0.343 803 HG2 GLN 106 1HG GLN 106 -1.316 -19.596 0.710 804 HG3 GLN 106 2HG GLN 106 -2.411 -20.174 -0.545 805 HE21 GLN 106 1HE2 GLN 106 -0.143 -19.153 -1.411 806 HE22 GLN 106 2HE2 GLN 106 -0.360 -17.575 -2.080 807 H VAL 107 H VAL 107 -3.625 -15.956 3.542 808 HA VAL 107 HA VAL 107 -6.506 -16.135 3.399 809 HB VAL 107 HB VAL 107 -4.751 -14.213 4.934 810 HG11 VAL 107 1HG1 VAL 107 -7.720 -14.688 4.945 811 HG12 VAL 107 2HG1 VAL 107 -6.876 -13.921 6.292 812 HG13 VAL 107 3HG1 VAL 107 -6.853 -13.172 4.695 813 HG21 VAL 107 3HG2 VAL 107 -4.817 -16.817 5.393 814 HG22 VAL 107 1HG2 VAL 107 -4.787 -15.646 6.712 815 HG23 VAL 107 2HG2 VAL 107 -6.312 -16.389 6.227 816 H ASP 108 H ASP 108 -7.813 -14.921 2.193 817 HA ASP 108 HA ASP 108 -6.944 -13.311 0.118 818 HB2 ASP 108 1HB ASP 108 -9.605 -13.189 1.555 819 HB3 ASP 108 2HB ASP 108 -9.272 -12.514 -0.038 820 H LEU 109 H LEU 109 -6.025 -11.378 0.076 821 HA LEU 109 HA LEU 109 -6.384 -9.593 2.385 822 HB2 LEU 109 1HB LEU 109 -4.195 -9.796 0.330 823 HB3 LEU 109 2HB LEU 109 -4.322 -8.466 1.479 824 HG LEU 109 HG LEU 109 -4.025 -11.356 2.283 825 HD11 LEU 109 1HD1 LEU 109 -1.682 -10.782 2.769 826 HD12 LEU 109 2HD1 LEU 109 -1.924 -9.212 2.002 827 HD13 LEU 109 3HD1 LEU 109 -2.056 -10.689 1.048 828 HD21 LEU 109 3HD2 LEU 109 -3.514 -8.860 3.885 829 HD22 LEU 109 1HD2 LEU 109 -3.601 -10.525 4.459 830 HD23 LEU 109 2HD2 LEU 109 -5.059 -9.711 3.892 831 H LYS 110 H LYS 110 -6.884 -9.915 -1.017 832 HA LYS 110 HA LYS 110 -7.066 -7.256 -1.821 833 HB2 LYS 110 1HB LYS 110 -8.664 -9.644 -2.762 834 HB3 LYS 110 2HB LYS 110 -8.594 -8.097 -3.595 835 HG2 LYS 110 1HG LYS 110 -6.444 -8.424 -4.318 836 HG3 LYS 110 2HG LYS 110 -6.051 -9.522 -2.993 837 HD2 LYS 110 1HD LYS 110 -7.262 -11.302 -3.993 838 HD3 LYS 110 2HD LYS 110 -8.005 -10.221 -5.175 839 HE2 LYS 110 1HE LYS 110 -5.033 -10.465 -5.080 840 HE3 LYS 110 2HE LYS 110 -5.977 -11.746 -5.838 841 HZ1 LYS 110 3HZ LYS 110 -6.302 -10.492 -7.623 842 HZ2 LYS 110 1HZ LYS 110 -5.179 -9.391 -6.998 843 HZ3 LYS 110 2HZ LYS 110 -6.830 -9.173 -6.704 844 H GLU 111 H GLU 111 -9.188 -9.146 0.150 845 HA GLU 111 HA GLU 111 -11.515 -7.525 -0.192 846 HB2 GLU 111 1HB GLU 111 -10.806 -9.407 2.066 847 HB3 GLU 111 2HB GLU 111 -12.403 -8.752 1.731 848 HG2 GLU 111 1HG GLU 111 -10.990 -10.311 -0.378 849 HG3 GLU 111 2HG GLU 111 -11.766 -11.156 0.960 850 H LEU 112 H LEU 112 -8.787 -7.535 2.015 851 HA LEU 112 HA LEU 112 -9.617 -5.954 4.073 852 HB2 LEU 112 1HB LEU 112 -6.984 -5.655 2.637 853 HB3 LEU 112 2HB LEU 112 -7.331 -5.183 4.299 854 HG LEU 112 HG LEU 112 -7.282 -8.010 3.244 855 HD11 LEU 112 1HD1 LEU 112 -5.067 -7.680 3.411 856 HD12 LEU 112 2HD1 LEU 112 -5.360 -7.858 5.141 857 HD13 LEU 112 3HD1 LEU 112 -5.248 -6.250 4.427 858 HD21 LEU 112 3HD2 LEU 112 -7.395 -8.579 5.676 859 HD22 LEU 112 1HD2 LEU 112 -8.869 -7.866 5.021 860 HD23 LEU 112 2HD2 LEU 112 -7.774 -6.886 5.996 861 H ASP 113 H ASP 113 -11.168 -4.448 3.453 862 HA ASP 113 HA ASP 113 -10.137 -2.141 1.935 863 HB2 ASP 113 1HB ASP 113 -12.923 -3.295 2.058 864 HB3 ASP 113 2HB ASP 113 -12.585 -1.686 1.426 865 H GLN 114 H GLN 114 -9.317 -1.504 4.103 866 HA GLN 114 HA GLN 114 -10.856 -0.953 6.321 867 HB2 GLN 114 1HB GLN 114 -8.280 -0.657 5.830 868 HB3 GLN 114 2HB GLN 114 -8.750 1.009 5.516 869 HG2 GLN 114 1HG GLN 114 -9.359 -0.467 8.065 870 HG3 GLN 114 2HG GLN 114 -7.961 0.580 7.829 871 HE21 GLN 114 1HE2 GLN 114 -8.196 2.578 8.504 872 HE22 GLN 114 2HE2 GLN 114 -9.688 3.435 8.664 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -37.770 -17.921 16.758 2 HA2 GLY 1 1HA GLY 1 -36.247 -16.399 17.758 3 HA3 GLY 1 2HA GLY 1 -34.939 -17.519 17.407 4 H SER 2 H SER 2 -34.633 -14.863 16.848 5 HA SER 2 HA SER 2 -35.338 -14.245 14.146 6 HB2 SER 2 1HB SER 2 -33.609 -12.961 16.234 7 HB3 SER 2 2HB SER 2 -33.515 -12.408 14.562 8 HG SER 2 HG SER 2 -35.225 -11.289 15.009 9 H SER 3 H SER 3 -33.388 -13.419 12.711 10 HA SER 3 HA SER 3 -31.519 -15.686 12.503 11 HB2 SER 3 1HB SER 3 -32.407 -13.811 10.299 12 HB3 SER 3 2HB SER 3 -31.429 -15.267 10.116 13 HG SER 3 HG SER 3 -34.168 -15.001 10.593 14 H GLY 4 H GLY 4 -29.403 -15.138 11.447 15 HA2 GLY 4 1HA GLY 4 -28.373 -12.540 11.330 16 HA3 GLY 4 2HA GLY 4 -28.069 -13.158 12.947 17 H SER 5 H SER 5 -26.187 -12.456 10.800 18 HA SER 5 HA SER 5 -24.943 -15.091 10.367 19 HB2 SER 5 1HB SER 5 -25.605 -13.465 8.393 20 HB3 SER 5 2HB SER 5 -24.091 -12.671 8.827 21 HG SER 5 HG SER 5 -23.019 -14.629 8.475 22 H SER 6 H SER 6 -22.942 -15.479 11.138 23 HA SER 6 HA SER 6 -21.740 -13.401 12.810 24 HB2 SER 6 1HB SER 6 -20.385 -15.279 13.739 25 HB3 SER 6 2HB SER 6 -22.122 -15.526 13.916 26 HG SER 6 HG SER 6 -21.535 -17.400 13.070 27 H GLY 7 H GLY 7 -20.881 -15.671 10.221 28 HA2 GLY 7 1HA GLY 7 -19.485 -14.757 8.412 29 HA3 GLY 7 2HA GLY 7 -18.532 -13.967 9.660 30 H MET 8 H MET 8 -18.277 -16.278 7.494 31 HA MET 8 HA MET 8 -17.210 -18.414 9.123 32 HB2 MET 8 1HB MET 8 -17.357 -17.969 6.143 33 HB3 MET 8 2HB MET 8 -16.559 -19.363 6.858 34 HG2 MET 8 1HG MET 8 -18.723 -20.065 6.253 35 HG3 MET 8 2HG MET 8 -18.726 -19.888 8.006 36 HE1 MET 8 3HE MET 8 -21.865 -19.163 5.677 37 HE2 MET 8 1HE MET 8 -20.898 -18.036 4.725 38 HE3 MET 8 2HE MET 8 -20.291 -19.659 5.053 39 H ALA 9 H ALA 9 -15.841 -16.301 6.591 40 HA ALA 9 HA ALA 9 -13.154 -16.878 7.538 41 HB1 ALA 9 3HB ALA 9 -13.667 -16.801 5.117 42 HB2 ALA 9 1HB ALA 9 -14.016 -15.080 5.277 43 HB3 ALA 9 2HB ALA 9 -12.389 -15.683 5.593 44 H SER 10 H SER 10 -11.621 -15.124 7.953 45 HA SER 10 HA SER 10 -12.934 -12.860 9.306 46 HB2 SER 10 1HB SER 10 -10.400 -14.366 9.948 47 HB3 SER 10 2HB SER 10 -10.748 -12.782 10.640 48 HG SER 10 HG SER 10 -11.433 -14.730 11.864 49 H THR 11 H THR 11 -11.453 -10.906 9.510 50 HA THR 11 HA THR 11 -9.694 -10.551 7.201 51 HB THR 11 HB THR 11 -10.767 -8.361 6.667 52 HG1 THR 11 1HG THR 11 -13.092 -9.212 7.991 53 HG21 THR 11 3HG2 THR 11 -11.342 -9.999 5.133 54 HG22 THR 11 1HG2 THR 11 -12.922 -9.469 5.707 55 HG23 THR 11 2HG2 THR 11 -12.212 -10.960 6.328 56 H PHE 12 H PHE 12 -8.012 -9.190 7.563 57 HA PHE 12 HA PHE 12 -7.445 -8.440 10.251 58 HB2 PHE 12 1HB PHE 12 -6.019 -7.748 7.674 59 HB3 PHE 12 2HB PHE 12 -5.387 -7.437 9.287 60 HD1 PHE 12 2HD PHE 12 -6.399 -10.114 6.947 61 HD2 PHE 12 1HD PHE 12 -4.282 -9.115 10.503 62 HE1 PHE 12 2HE PHE 12 -5.407 -12.365 6.985 63 HE2 PHE 12 1HE PHE 12 -3.286 -11.365 10.546 64 HZ PHE 12 HZ PHE 12 -3.849 -12.994 8.786 65 H ASN 13 H ASN 13 -6.620 -6.161 10.732 66 HA ASN 13 HA ASN 13 -8.569 -4.221 9.676 67 HB2 ASN 13 1HB ASN 13 -8.352 -3.049 11.844 68 HB3 ASN 13 2HB ASN 13 -8.941 -4.697 12.036 69 HD21 ASN 13 1HD2 ASN 13 -7.473 -2.818 13.836 70 HD22 ASN 13 2HD2 ASN 13 -6.112 -3.722 14.397 71 HA PRO 14 HA PRO 14 -4.451 -2.701 8.282 72 HB2 PRO 14 1HB PRO 14 -5.376 -1.722 5.925 73 HB3 PRO 14 2HB PRO 14 -4.899 -3.410 6.143 74 HG2 PRO 14 1HG PRO 14 -7.635 -2.195 6.173 75 HG3 PRO 14 2HG PRO 14 -7.086 -3.698 5.408 76 HD2 PRO 14 1HD PRO 14 -8.402 -3.664 7.775 77 HD3 PRO 14 2HD PRO 14 -7.172 -4.882 7.384 78 H ARG 15 H ARG 15 -3.909 -0.451 7.440 79 HA ARG 15 HA ARG 15 -5.685 1.524 8.716 80 HB2 ARG 15 1HB ARG 15 -3.644 1.341 9.978 81 HB3 ARG 15 2HB ARG 15 -2.673 1.475 8.519 82 HG2 ARG 15 1HG ARG 15 -3.742 3.786 8.246 83 HG3 ARG 15 2HG ARG 15 -4.238 3.602 9.930 84 HD2 ARG 15 1HD ARG 15 -1.946 3.355 10.627 85 HD3 ARG 15 2HD ARG 15 -1.397 3.353 8.952 86 HE ARG 15 HE ARG 15 -1.541 5.640 8.935 87 HH11 ARG 15 1HH1 ARG 15 -3.239 4.401 11.710 88 HH12 ARG 15 2HH1 ARG 15 -3.485 5.962 12.420 89 HH21 ARG 15 1HH2 ARG 15 -1.859 7.701 9.859 90 HH22 ARG 15 2HH2 ARG 15 -2.700 7.839 11.365 91 H GLU 16 H GLU 16 -6.367 3.205 7.528 92 HA GLU 16 HA GLU 16 -5.433 3.365 4.755 93 HB2 GLU 16 1HB GLU 16 -7.842 3.085 5.082 94 HB3 GLU 16 2HB GLU 16 -7.889 4.538 6.071 95 HG2 GLU 16 1HG GLU 16 -7.187 5.865 4.132 96 HG3 GLU 16 2HG GLU 16 -7.192 4.404 3.146 97 H CYS 17 H CYS 17 -4.080 4.919 4.173 98 HA CYS 17 HA CYS 17 -3.828 7.286 5.898 99 HB2 CYS 17 1HB CYS 17 -1.872 6.051 3.950 100 HB3 CYS 17 2HB CYS 17 -1.591 7.557 4.816 101 HG CYS 17 HG CYS 17 -0.084 5.834 6.228 102 H LYS 18 H LYS 18 -3.865 9.346 5.039 103 HA LYS 18 HA LYS 18 -4.688 9.552 2.216 104 HB2 LYS 18 1HB LYS 18 -5.879 10.722 4.678 105 HB3 LYS 18 2HB LYS 18 -5.862 11.727 3.235 106 HG2 LYS 18 1HG LYS 18 -7.330 10.383 2.109 107 HG3 LYS 18 2HG LYS 18 -6.871 8.938 3.013 108 HD2 LYS 18 1HD LYS 18 -8.201 11.184 4.456 109 HD3 LYS 18 2HD LYS 18 -9.179 10.124 3.439 110 HE2 LYS 18 1HE LYS 18 -8.389 8.184 4.682 111 HE3 LYS 18 2HE LYS 18 -7.363 9.220 5.673 112 HZ1 LYS 18 3HZ LYS 18 -10.323 9.412 5.543 113 HZ2 LYS 18 1HZ LYS 18 -9.301 10.288 6.567 114 HZ3 LYS 18 2HZ LYS 18 -9.464 8.617 6.765 115 H LEU 19 H LEU 19 -2.723 10.151 1.386 116 HA LEU 19 HA LEU 19 -1.130 12.210 2.614 117 HB2 LEU 19 1HB LEU 19 -0.919 10.478 0.210 118 HB3 LEU 19 2HB LEU 19 0.018 11.970 0.236 119 HG LEU 19 HG LEU 19 0.831 11.052 2.557 120 HD11 LEU 19 1HD1 LEU 19 -0.692 9.141 2.596 121 HD12 LEU 19 2HD1 LEU 19 0.994 8.625 2.600 122 HD13 LEU 19 3HD1 LEU 19 0.045 8.522 1.117 123 HD21 LEU 19 3HD2 LEU 19 1.722 10.367 -0.204 124 HD22 LEU 19 1HD2 LEU 19 2.549 9.639 1.173 125 HD23 LEU 19 2HD2 LEU 19 2.491 11.394 1.007 126 H SER 20 H SER 20 -0.850 14.306 1.948 127 HA SER 20 HA SER 20 -2.598 15.261 -0.220 128 HB2 SER 20 1HB SER 20 -3.193 17.217 1.082 129 HB3 SER 20 2HB SER 20 -3.574 15.774 2.021 130 HG SER 20 HG SER 20 -1.227 16.233 2.795 131 H LYS 21 H LYS 21 -1.515 16.308 -1.741 132 HA LYS 21 HA LYS 21 0.891 17.821 -1.003 133 HB2 LYS 21 1HB LYS 21 2.118 16.962 -2.893 134 HB3 LYS 21 2HB LYS 21 1.555 15.607 -1.923 135 HG2 LYS 21 1HG LYS 21 -0.203 15.143 -3.489 136 HG3 LYS 21 2HG LYS 21 0.182 16.597 -4.413 137 HD2 LYS 21 1HD LYS 21 2.292 15.694 -5.084 138 HD3 LYS 21 2HD LYS 21 2.116 14.324 -3.985 139 HE2 LYS 21 1HE LYS 21 0.166 13.566 -5.282 140 HE3 LYS 21 2HE LYS 21 0.401 14.912 -6.396 141 HZ1 LYS 21 3HZ LYS 21 1.661 13.489 -7.534 142 HZ2 LYS 21 1HZ LYS 21 1.785 12.400 -6.244 143 HZ3 LYS 21 2HZ LYS 21 2.834 13.724 -6.338 144 H GLN 22 H GLN 22 1.566 19.345 -2.748 145 HA GLN 22 HA GLN 22 -0.819 20.575 -3.913 146 HB2 GLN 22 1HB GLN 22 1.967 21.640 -3.434 147 HB3 GLN 22 2HB GLN 22 0.698 22.548 -4.246 148 HG2 GLN 22 1HG GLN 22 -0.530 22.821 -2.319 149 HG3 GLN 22 2HG GLN 22 0.198 21.422 -1.532 150 HE21 GLN 22 1HE2 GLN 22 0.650 22.653 0.309 151 HE22 GLN 22 2HE2 GLN 22 1.947 23.795 0.343 152 H GLU 23 H GLU 23 -0.768 21.415 -6.085 153 HA GLU 23 HA GLU 23 0.030 19.569 -8.001 154 HB2 GLU 23 1HB GLU 23 -1.605 21.659 -8.081 155 HB3 GLU 23 2HB GLU 23 -0.193 22.439 -8.780 156 HG2 GLU 23 1HG GLU 23 -0.202 20.264 -10.290 157 HG3 GLU 23 2HG GLU 23 -1.915 20.293 -9.875 158 H GLY 24 H GLY 24 1.987 19.018 -8.676 159 HA2 GLY 24 1HA GLY 24 4.095 19.327 -9.617 160 HA3 GLY 24 2HA GLY 24 3.947 21.053 -9.318 161 H GLN 25 H GLN 25 3.288 18.972 -6.669 162 HA GLN 25 HA GLN 25 5.959 19.539 -5.560 163 HB2 GLN 25 1HB GLN 25 3.895 20.794 -4.604 164 HB3 GLN 25 2HB GLN 25 3.512 19.255 -3.844 165 HG2 GLN 25 1HG GLN 25 6.036 19.437 -3.066 166 HG3 GLN 25 2HG GLN 25 5.712 21.156 -3.284 167 HE21 GLN 25 1HE2 GLN 25 6.274 19.767 -0.833 168 HE22 GLN 25 2HE2 GLN 25 4.904 19.987 0.195 169 H ASN 26 H ASN 26 7.070 17.869 -4.734 170 HA ASN 26 HA ASN 26 6.178 15.216 -5.182 171 HB2 ASN 26 1HB ASN 26 8.522 16.208 -3.543 172 HB3 ASN 26 2HB ASN 26 8.276 14.547 -4.074 173 HD21 ASN 26 1HD2 ASN 26 10.361 16.646 -4.625 174 HD22 ASN 26 2HD2 ASN 26 10.489 16.679 -6.348 175 H TYR 27 H TYR 27 6.268 13.522 -3.418 176 HA TYR 27 HA TYR 27 4.557 14.414 -1.227 177 HB2 TYR 27 1HB TYR 27 5.068 11.822 -2.593 178 HB3 TYR 27 2HB TYR 27 4.596 11.760 -0.899 179 HD1 TYR 27 2HD TYR 27 2.577 13.632 -0.464 180 HD2 TYR 27 1HD TYR 27 3.318 11.432 -4.030 181 HE1 TYR 27 2HE TYR 27 0.218 13.894 -1.109 182 HE2 TYR 27 1HE TYR 27 0.961 11.689 -4.686 183 HH TYR 27 HH TYR 27 -1.436 12.607 -2.605 184 H GLY 28 H GLY 28 7.490 12.446 -1.701 185 HA2 GLY 28 1HA GLY 28 9.339 13.167 -0.123 186 HA3 GLY 28 2HA GLY 28 8.143 12.915 1.140 187 H PHE 29 H PHE 29 7.013 10.551 -0.182 188 HA PHE 29 HA PHE 29 9.163 8.660 0.496 189 HB2 PHE 29 1HB PHE 29 7.618 7.254 1.463 190 HB3 PHE 29 2HB PHE 29 6.855 8.810 1.778 191 HD1 PHE 29 1HD PHE 29 5.055 9.602 0.178 192 HD2 PHE 29 2HD PHE 29 6.514 5.604 0.245 193 HE1 PHE 29 1HE PHE 29 3.028 8.846 -0.996 194 HE2 PHE 29 2HE PHE 29 4.490 4.842 -0.929 195 HZ PHE 29 HZ PHE 29 2.745 6.464 -1.552 196 H PHE 30 H PHE 30 9.493 6.825 -0.782 197 HA PHE 30 HA PHE 30 8.200 6.887 -3.428 198 HB2 PHE 30 1HB PHE 30 11.096 6.258 -2.818 199 HB3 PHE 30 2HB PHE 30 10.343 6.137 -4.405 200 HD1 PHE 30 1HD PHE 30 9.227 8.314 -5.296 201 HD2 PHE 30 2HD PHE 30 12.160 8.209 -2.213 202 HE1 PHE 30 1HE PHE 30 9.764 10.675 -5.731 203 HE2 PHE 30 2HE PHE 30 12.701 10.570 -2.642 204 HZ PHE 30 HZ PHE 30 11.502 11.807 -4.402 205 H LEU 31 H LEU 31 7.558 4.964 -4.286 206 HA LEU 31 HA LEU 31 7.442 2.713 -2.480 207 HB2 LEU 31 1HB LEU 31 6.383 3.048 -5.282 208 HB3 LEU 31 2HB LEU 31 6.041 1.686 -4.218 209 HG LEU 31 HG LEU 31 5.306 4.490 -3.439 210 HD11 LEU 31 1HD1 LEU 31 3.206 2.792 -4.605 211 HD12 LEU 31 2HD1 LEU 31 4.378 3.447 -5.749 212 HD13 LEU 31 3HD1 LEU 31 3.454 4.535 -4.714 213 HD21 LEU 31 3HD2 LEU 31 5.279 2.736 -1.721 214 HD22 LEU 31 1HD2 LEU 31 4.171 1.790 -2.715 215 HD23 LEU 31 2HD2 LEU 31 3.660 3.348 -2.065 216 H ARG 32 H ARG 32 9.247 1.532 -2.315 217 HA ARG 32 HA ARG 32 10.658 0.790 -4.789 218 HB2 ARG 32 1HB ARG 32 11.575 1.197 -1.968 219 HB3 ARG 32 2HB ARG 32 12.471 0.109 -3.019 220 HG2 ARG 32 1HG ARG 32 11.829 2.865 -3.960 221 HG3 ARG 32 2HG ARG 32 13.157 2.608 -2.826 222 HD2 ARG 32 1HD ARG 32 12.960 0.932 -5.291 223 HD3 ARG 32 2HD ARG 32 13.600 2.572 -5.397 224 HE ARG 32 HE ARG 32 14.904 0.280 -4.284 225 HH11 ARG 32 1HH1 ARG 32 14.664 3.750 -4.140 226 HH12 ARG 32 2HH1 ARG 32 16.264 3.965 -3.511 227 HH21 ARG 32 1HH2 ARG 32 17.013 0.550 -3.456 228 HH22 ARG 32 2HH2 ARG 32 17.600 2.144 -3.124 229 H ILE 33 H ILE 33 10.830 -1.302 -5.364 230 HA ILE 33 HA ILE 33 9.416 -3.260 -3.716 231 HB ILE 33 HB ILE 33 9.420 -4.694 -5.685 232 HG12 ILE 33 1HG1 ILE 33 10.212 -3.397 -7.860 233 HG13 ILE 33 2HG1 ILE 33 11.276 -2.592 -6.711 234 HG21 ILE 33 1HG2 ILE 33 7.700 -2.883 -5.346 235 HG22 ILE 33 2HG2 ILE 33 8.593 -1.929 -6.530 236 HG23 ILE 33 3HG2 ILE 33 7.875 -3.469 -7.000 237 HD11 ILE 33 3HD1 ILE 33 12.654 -4.320 -6.693 238 HD12 ILE 33 1HD1 ILE 33 11.341 -5.436 -6.319 239 HD13 ILE 33 2HD1 ILE 33 11.698 -5.023 -7.997 240 H GLU 34 H GLU 34 10.313 -5.286 -3.191 241 HA GLU 34 HA GLU 34 13.256 -5.387 -3.320 242 HB2 GLU 34 1HB GLU 34 12.300 -4.940 -1.036 243 HB3 GLU 34 2HB GLU 34 11.538 -6.522 -1.111 244 HG2 GLU 34 1HG GLU 34 13.527 -6.747 0.154 245 HG3 GLU 34 2HG GLU 34 13.806 -7.517 -1.407 246 H LYS 35 H LYS 35 14.198 -7.257 -3.962 247 HA LYS 35 HA LYS 35 12.693 -9.123 -5.437 248 HB2 LYS 35 1HB LYS 35 15.533 -9.158 -4.423 249 HB3 LYS 35 2HB LYS 35 14.868 -10.451 -5.413 250 HG2 LYS 35 1HG LYS 35 14.828 -7.584 -6.297 251 HG3 LYS 35 2HG LYS 35 16.203 -8.649 -6.598 252 HD2 LYS 35 1HD LYS 35 14.834 -10.152 -7.874 253 HD3 LYS 35 2HD LYS 35 13.372 -9.263 -7.438 254 HE2 LYS 35 1HE LYS 35 13.841 -7.526 -8.865 255 HE3 LYS 35 2HE LYS 35 15.581 -7.807 -8.809 256 HZ1 LYS 35 3HZ LYS 35 15.461 -9.085 -10.601 257 HZ2 LYS 35 1HZ LYS 35 13.851 -8.598 -10.789 258 HZ3 LYS 35 2HZ LYS 35 14.211 -10.022 -9.952 259 H ASP 36 H ASP 36 11.889 -11.104 -4.965 260 HA ASP 36 HA ASP 36 11.088 -12.835 -3.725 261 HB2 ASP 36 1HB ASP 36 13.675 -12.382 -2.226 262 HB3 ASP 36 2HB ASP 36 12.614 -13.765 -1.973 263 H THR 37 H THR 37 10.011 -10.368 -3.125 264 HA THR 37 HA THR 37 9.290 -10.761 -0.318 265 HB THR 37 HB THR 37 9.991 -8.031 -1.411 266 HG1 THR 37 1HG THR 37 11.556 -9.975 -0.345 267 HG21 THR 37 3HG2 THR 37 9.182 -8.999 1.331 268 HG22 THR 37 1HG2 THR 37 8.297 -7.887 0.287 269 HG23 THR 37 2HG2 THR 37 9.832 -7.393 1.001 270 H ASP 38 H ASP 38 7.228 -9.978 0.242 271 HA ASP 38 HA ASP 38 5.471 -9.574 -2.071 272 HB2 ASP 38 1HB ASP 38 4.939 -10.483 0.758 273 HB3 ASP 38 2HB ASP 38 3.648 -10.082 -0.372 274 H GLY 39 H GLY 39 3.963 -7.895 -2.155 275 HA2 GLY 39 1HA GLY 39 3.091 -5.807 -1.735 276 HA3 GLY 39 2HA GLY 39 3.657 -5.972 -0.080 277 H HIS 40 H HIS 40 3.718 -3.560 -1.523 278 HA HIS 40 HA HIS 40 6.468 -3.171 -2.383 279 HB2 HIS 40 1HB HIS 40 3.984 -1.492 -2.414 280 HB3 HIS 40 2HB HIS 40 5.559 -0.726 -2.601 281 HD1 HIS 40 1HD HIS 40 6.628 -0.841 -4.870 282 HD2 HIS 40 2HD HIS 40 3.350 -3.369 -4.516 283 HE1 HIS 40 1HE HIS 40 6.194 -1.709 -7.190 284 HE2 HIS 40 2HE HIS 40 4.155 -3.170 -6.966 285 H LEU 41 H LEU 41 8.043 -2.288 -1.190 286 HA LEU 41 HA LEU 41 7.393 -1.502 1.554 287 HB2 LEU 41 1HB LEU 41 10.030 -2.154 0.249 288 HB3 LEU 41 2HB LEU 41 9.827 -1.704 1.941 289 HG LEU 41 HG LEU 41 8.336 -4.066 0.901 290 HD11 LEU 41 1HD1 LEU 41 11.286 -3.975 1.476 291 HD12 LEU 41 2HD1 LEU 41 10.474 -4.574 0.031 292 HD13 LEU 41 3HD1 LEU 41 10.336 -5.459 1.550 293 HD21 LEU 41 3HD2 LEU 41 7.778 -3.807 3.083 294 HD22 LEU 41 1HD2 LEU 41 9.286 -2.987 3.489 295 HD23 LEU 41 2HD2 LEU 41 9.257 -4.742 3.313 296 H ILE 42 H ILE 42 7.761 0.502 2.353 297 HA ILE 42 HA ILE 42 8.381 2.592 0.421 298 HB ILE 42 HB ILE 42 7.325 2.704 3.243 299 HG12 ILE 42 1HG1 ILE 42 5.457 3.914 1.802 300 HG13 ILE 42 2HG1 ILE 42 6.162 2.957 0.503 301 HG21 ILE 42 1HG2 ILE 42 8.296 4.878 1.438 302 HG22 ILE 42 2HG2 ILE 42 6.981 5.189 2.569 303 HG23 ILE 42 3HG2 ILE 42 8.552 4.661 3.169 304 HD11 ILE 42 3HD1 ILE 42 4.468 2.145 2.734 305 HD12 ILE 42 1HD1 ILE 42 4.717 1.393 1.159 306 HD13 ILE 42 2HD1 ILE 42 5.861 1.098 2.468 307 H ARG 43 H ARG 43 10.097 3.979 0.553 308 HA ARG 43 HA ARG 43 11.893 3.910 2.819 309 HB2 ARG 43 1HB ARG 43 12.434 2.011 1.052 310 HB3 ARG 43 2HB ARG 43 13.195 3.345 0.195 311 HG2 ARG 43 1HG ARG 43 14.440 3.814 2.367 312 HG3 ARG 43 2HG ARG 43 13.884 2.222 2.887 313 HD2 ARG 43 1HD ARG 43 15.367 2.680 0.310 314 HD3 ARG 43 2HD ARG 43 16.180 2.315 1.831 315 HE ARG 43 HE ARG 43 14.799 0.477 0.139 316 HH11 ARG 43 1HH1 ARG 43 15.637 1.164 3.448 317 HH12 ARG 43 2HH1 ARG 43 15.546 -0.491 3.952 318 HH21 ARG 43 1HH2 ARG 43 14.676 -1.706 0.790 319 HH22 ARG 43 2HH2 ARG 43 15.000 -2.122 2.439 320 H VAL 44 H VAL 44 13.634 5.515 2.624 321 HA VAL 44 HA VAL 44 14.502 7.547 2.034 322 HB VAL 44 HB VAL 44 12.700 7.581 -0.379 323 HG11 VAL 44 1HG1 VAL 44 15.472 8.704 -0.086 324 HG12 VAL 44 2HG1 VAL 44 14.251 9.089 -1.300 325 HG13 VAL 44 3HG1 VAL 44 14.034 9.618 0.369 326 HG21 VAL 44 3HG2 VAL 44 14.418 6.433 -1.631 327 HG22 VAL 44 1HG2 VAL 44 15.433 6.318 -0.193 328 HG23 VAL 44 2HG2 VAL 44 13.913 5.428 -0.273 329 H ILE 45 H ILE 45 12.507 7.458 3.884 330 HA ILE 45 HA ILE 45 10.473 9.413 3.223 331 HB ILE 45 HB ILE 45 11.092 8.087 5.866 332 HG12 ILE 45 1HG1 ILE 45 8.883 7.476 3.893 333 HG13 ILE 45 2HG1 ILE 45 10.379 6.555 4.010 334 HG21 ILE 45 1HG2 ILE 45 8.404 9.145 5.367 335 HG22 ILE 45 2HG2 ILE 45 9.410 9.232 6.812 336 HG23 ILE 45 3HG2 ILE 45 9.666 10.371 5.491 337 HD11 ILE 45 3HD1 ILE 45 8.023 6.586 5.781 338 HD12 ILE 45 1HD1 ILE 45 9.092 5.259 5.329 339 HD13 ILE 45 2HD1 ILE 45 9.599 6.421 6.556 340 H GLU 46 H GLU 46 11.110 11.471 3.096 341 HA GLU 46 HA GLU 46 13.301 12.519 4.612 342 HB2 GLU 46 1HB GLU 46 12.317 13.242 2.272 343 HB3 GLU 46 2HB GLU 46 11.313 14.293 3.260 344 HG2 GLU 46 1HG GLU 46 13.654 14.906 4.331 345 HG3 GLU 46 2HG GLU 46 14.229 14.381 2.749 346 H GLU 47 H GLU 47 13.238 14.106 6.235 347 HA GLU 47 HA GLU 47 11.167 13.772 8.146 348 HB2 GLU 47 1HB GLU 47 13.602 15.502 7.946 349 HB3 GLU 47 2HB GLU 47 12.409 15.835 9.194 350 HG2 GLU 47 1HG GLU 47 14.269 14.420 9.970 351 HG3 GLU 47 2HG GLU 47 12.692 13.650 10.134 352 H GLY 48 H GLY 48 9.671 15.304 8.938 353 HA2 GLY 48 1HA GLY 48 8.010 16.868 8.682 354 HA3 GLY 48 2HA GLY 48 9.265 17.884 7.990 355 H SER 49 H SER 49 8.025 14.827 6.719 356 HA SER 49 HA SER 49 7.225 16.274 4.285 357 HB2 SER 49 1HB SER 49 7.608 14.263 3.054 358 HB3 SER 49 2HB SER 49 8.992 14.459 4.130 359 HG SER 49 HG SER 49 8.433 12.709 5.167 360 HA PRO 50 HA PRO 50 2.984 15.328 4.910 361 HB2 PRO 50 1HB PRO 50 2.134 15.083 2.344 362 HB3 PRO 50 2HB PRO 50 2.553 16.638 3.073 363 HG2 PRO 50 1HG PRO 50 4.186 14.887 1.277 364 HG3 PRO 50 2HG PRO 50 3.988 16.648 1.243 365 HD2 PRO 50 1HD PRO 50 6.161 15.448 2.324 366 HD3 PRO 50 2HD PRO 50 5.509 16.978 2.943 367 H ALA 51 H ALA 51 5.114 13.110 3.433 368 HA ALA 51 HA ALA 51 3.174 11.022 2.999 369 HB1 ALA 51 3HB ALA 51 4.931 9.733 2.171 370 HB2 ALA 51 1HB ALA 51 5.374 11.381 1.727 371 HB3 ALA 51 2HB ALA 51 6.140 10.604 3.114 372 H GLU 52 H GLU 52 5.663 11.772 5.403 373 HA GLU 52 HA GLU 52 5.218 9.386 6.920 374 HB2 GLU 52 1HB GLU 52 7.338 10.848 6.841 375 HB3 GLU 52 2HB GLU 52 6.501 11.892 7.981 376 HG2 GLU 52 1HG GLU 52 6.549 10.317 9.667 377 HG3 GLU 52 2HG GLU 52 6.757 8.973 8.545 378 H LYS 53 H LYS 53 4.144 12.739 7.137 379 HA LYS 53 HA LYS 53 2.986 12.810 9.620 380 HB2 LYS 53 1HB LYS 53 2.350 14.114 7.017 381 HB3 LYS 53 2HB LYS 53 1.171 14.255 8.314 382 HG2 LYS 53 1HG LYS 53 2.777 15.310 9.743 383 HG3 LYS 53 2HG LYS 53 4.071 15.018 8.578 384 HD2 LYS 53 1HD LYS 53 2.806 16.436 6.948 385 HD3 LYS 53 2HD LYS 53 1.689 16.839 8.254 386 HE2 LYS 53 1HE LYS 53 4.646 17.250 8.545 387 HE3 LYS 53 2HE LYS 53 3.630 18.454 7.755 388 HZ1 LYS 53 3HZ LYS 53 3.981 17.963 10.519 389 HZ2 LYS 53 1HZ LYS 53 2.349 17.786 10.110 390 HZ3 LYS 53 2HZ LYS 53 3.156 19.230 9.760 391 H ALA 54 H ALA 54 2.042 10.917 6.917 392 HA ALA 54 HA ALA 54 -0.634 10.414 7.948 393 HB1 ALA 54 3HB ALA 54 -0.270 8.658 5.874 394 HB2 ALA 54 1HB ALA 54 -0.969 10.272 5.744 395 HB3 ALA 54 2HB ALA 54 0.745 10.023 5.408 396 H GLY 55 H GLY 55 1.809 9.609 9.443 397 HA2 GLY 55 1HA GLY 55 2.423 7.847 10.783 398 HA3 GLY 55 2HA GLY 55 0.912 7.076 10.324 399 H LEU 56 H LEU 56 2.878 7.937 7.688 400 HA LEU 56 HA LEU 56 3.280 5.192 6.983 401 HB2 LEU 56 1HB LEU 56 2.933 7.334 5.497 402 HB3 LEU 56 2HB LEU 56 4.691 7.419 5.593 403 HG LEU 56 HG LEU 56 4.737 5.067 4.679 404 HD11 LEU 56 1HD1 LEU 56 1.962 5.560 3.700 405 HD12 LEU 56 2HD1 LEU 56 2.212 4.817 5.280 406 HD13 LEU 56 3HD1 LEU 56 2.858 4.046 3.832 407 HD21 LEU 56 3HD2 LEU 56 3.401 6.952 2.770 408 HD22 LEU 56 1HD2 LEU 56 4.709 5.806 2.473 409 HD23 LEU 56 2HD2 LEU 56 5.019 7.279 3.393 410 H LEU 57 H LEU 57 4.866 3.951 7.708 411 HA LEU 57 HA LEU 57 7.350 5.216 8.637 412 HB2 LEU 57 1HB LEU 57 5.857 2.766 9.403 413 HB3 LEU 57 2HB LEU 57 7.612 2.738 9.554 414 HG LEU 57 HG LEU 57 6.540 3.298 11.672 415 HD11 LEU 57 1HD1 LEU 57 8.522 4.866 10.327 416 HD12 LEU 57 2HD1 LEU 57 8.406 4.437 12.033 417 HD13 LEU 57 3HD1 LEU 57 7.601 5.886 11.432 418 HD21 LEU 57 3HD2 LEU 57 4.532 4.373 10.629 419 HD22 LEU 57 1HD2 LEU 57 5.530 5.796 10.325 420 HD23 LEU 57 2HD2 LEU 57 5.232 5.266 11.981 421 H ASP 58 H ASP 58 9.330 3.761 8.376 422 HA ASP 58 HA ASP 58 9.573 3.131 5.563 423 HB2 ASP 58 1HB ASP 58 11.304 4.332 7.113 424 HB3 ASP 58 2HB ASP 58 11.763 2.693 7.565 425 H GLY 59 H GLY 59 8.889 1.208 4.876 426 HA2 GLY 59 1HA GLY 59 9.599 -1.150 4.746 427 HA3 GLY 59 2HA GLY 59 9.590 -1.157 6.504 428 H ASP 60 H ASP 60 7.052 0.598 5.040 429 HA ASP 60 HA ASP 60 5.109 -1.272 6.057 430 HB2 ASP 60 1HB ASP 60 4.933 1.424 4.731 431 HB3 ASP 60 2HB ASP 60 3.491 0.455 5.027 432 H ARG 61 H ARG 61 3.422 -2.236 4.817 433 HA ARG 61 HA ARG 61 4.179 -2.713 2.009 434 HB2 ARG 61 1HB ARG 61 3.112 -4.535 4.132 435 HB3 ARG 61 2HB ARG 61 2.751 -4.874 2.444 436 HG2 ARG 61 1HG ARG 61 4.647 -6.128 2.801 437 HG3 ARG 61 2HG ARG 61 5.311 -4.645 2.111 438 HD2 ARG 61 1HD ARG 61 6.100 -3.896 4.172 439 HD3 ARG 61 2HD ARG 61 5.032 -4.970 5.076 440 HE ARG 61 HE ARG 61 7.630 -5.594 4.021 441 HH11 ARG 61 1HH1 ARG 61 4.560 -6.899 5.017 442 HH12 ARG 61 2HH1 ARG 61 5.193 -8.476 5.357 443 HH21 ARG 61 1HH2 ARG 61 8.475 -7.665 4.465 444 HH22 ARG 61 2HH2 ARG 61 7.421 -8.910 5.044 445 H VAL 62 H VAL 62 2.863 -1.655 0.684 446 HA VAL 62 HA VAL 62 0.167 -0.963 1.472 447 HB VAL 62 HB VAL 62 1.406 0.705 0.261 448 HG11 VAL 62 1HG1 VAL 62 2.403 -1.473 -1.190 449 HG12 VAL 62 2HG1 VAL 62 1.519 -0.483 -2.353 450 HG13 VAL 62 3HG1 VAL 62 2.814 0.230 -1.391 451 HG21 VAL 62 3HG2 VAL 62 -1.060 -0.441 -0.779 452 HG22 VAL 62 1HG2 VAL 62 -0.643 1.241 -0.452 453 HG23 VAL 62 2HG2 VAL 62 -0.179 0.499 -1.983 454 H LEU 63 H LEU 63 -1.559 -2.176 1.097 455 HA LEU 63 HA LEU 63 -1.367 -4.530 -0.560 456 HB2 LEU 63 1HB LEU 63 -3.663 -3.378 1.016 457 HB3 LEU 63 2HB LEU 63 -3.696 -4.930 0.179 458 HG LEU 63 HG LEU 63 -1.582 -4.467 2.226 459 HD11 LEU 63 1HD1 LEU 63 -4.501 -4.862 2.791 460 HD12 LEU 63 2HD1 LEU 63 -3.381 -3.704 3.508 461 HD13 LEU 63 3HD1 LEU 63 -3.253 -5.416 3.907 462 HD21 LEU 63 3HD2 LEU 63 -3.211 -6.938 1.925 463 HD22 LEU 63 1HD2 LEU 63 -1.505 -6.748 2.331 464 HD23 LEU 63 2HD2 LEU 63 -2.043 -6.541 0.664 465 H ARG 64 H ARG 64 -3.523 -1.688 -0.499 466 HA ARG 64 HA ARG 64 -3.838 -1.992 -3.412 467 HB2 ARG 64 1HB ARG 64 -5.970 -1.100 -1.462 468 HB3 ARG 64 2HB ARG 64 -6.152 -1.228 -3.207 469 HG2 ARG 64 1HG ARG 64 -6.017 -3.586 -3.145 470 HG3 ARG 64 2HG ARG 64 -5.466 -3.579 -1.468 471 HD2 ARG 64 1HD ARG 64 -7.564 -3.112 -0.640 472 HD3 ARG 64 2HD ARG 64 -8.102 -2.359 -2.141 473 HE ARG 64 HE ARG 64 -8.263 -5.138 -1.443 474 HH11 ARG 64 1HH1 ARG 64 -8.101 -2.859 -4.070 475 HH12 ARG 64 2HH1 ARG 64 -8.865 -3.918 -5.208 476 HH21 ARG 64 1HH2 ARG 64 -9.270 -6.542 -2.933 477 HH22 ARG 64 2HH2 ARG 64 -9.530 -6.012 -4.561 478 H ILE 65 H ILE 65 -3.730 -0.157 -4.629 479 HA ILE 65 HA ILE 65 -2.972 2.293 -3.194 480 HB ILE 65 HB ILE 65 -1.475 1.118 -5.005 481 HG12 ILE 65 1HG1 ILE 65 -1.171 3.361 -3.812 482 HG13 ILE 65 2HG1 ILE 65 -0.368 3.175 -5.366 483 HG21 ILE 65 1HG2 ILE 65 -1.825 1.947 -7.252 484 HG22 ILE 65 2HG2 ILE 65 -3.252 1.066 -6.709 485 HG23 ILE 65 3HG2 ILE 65 -3.261 2.829 -6.730 486 HD11 ILE 65 3HD1 ILE 65 -2.121 4.446 -6.449 487 HD12 ILE 65 1HD1 ILE 65 -2.986 4.588 -4.919 488 HD13 ILE 65 2HD1 ILE 65 -1.415 5.366 -5.121 489 H ASN 66 H ASN 66 -4.315 3.966 -3.193 490 HA ASN 66 HA ASN 66 -6.160 5.243 -3.601 491 HB2 ASN 66 1HB ASN 66 -4.572 5.529 -5.683 492 HB3 ASN 66 2HB ASN 66 -5.868 4.687 -6.528 493 HD21 ASN 66 1HD2 ASN 66 -5.271 7.422 -4.367 494 HD22 ASN 66 2HD2 ASN 66 -6.498 8.441 -5.033 495 H GLY 67 H GLY 67 -6.526 2.300 -3.333 496 HA2 GLY 67 1HA GLY 67 -8.533 1.110 -3.136 497 HA3 GLY 67 2HA GLY 67 -9.290 2.247 -4.241 498 H VAL 68 H VAL 68 -6.313 0.403 -4.737 499 HA VAL 68 HA VAL 68 -7.665 -1.337 -6.650 500 HB VAL 68 HB VAL 68 -5.359 0.461 -7.406 501 HG11 VAL 68 1HG1 VAL 68 -6.494 -1.978 -8.718 502 HG12 VAL 68 2HG1 VAL 68 -5.753 -0.700 -9.683 503 HG13 VAL 68 3HG1 VAL 68 -4.807 -1.537 -8.451 504 HG21 VAL 68 3HG2 VAL 68 -8.014 0.218 -8.787 505 HG22 VAL 68 1HG2 VAL 68 -7.763 1.330 -7.441 506 HG23 VAL 68 2HG2 VAL 68 -6.814 1.504 -8.918 507 H PHE 69 H PHE 69 -6.867 -3.348 -6.623 508 HA PHE 69 HA PHE 69 -4.915 -4.104 -4.733 509 HB2 PHE 69 1HB PHE 69 -6.859 -5.472 -5.848 510 HB3 PHE 69 2HB PHE 69 -5.629 -5.874 -7.042 511 HD1 PHE 69 2HD PHE 69 -5.717 -5.601 -3.318 512 HD2 PHE 69 1HD PHE 69 -4.735 -7.953 -6.727 513 HE1 PHE 69 2HE PHE 69 -4.874 -7.381 -1.843 514 HE2 PHE 69 1HE PHE 69 -3.891 -9.737 -5.257 515 HZ PHE 69 HZ PHE 69 -3.959 -9.452 -2.812 516 H VAL 70 H VAL 70 -2.785 -3.944 -4.858 517 HA VAL 70 HA VAL 70 -1.485 -4.240 -7.479 518 HB VAL 70 HB VAL 70 0.115 -2.467 -6.915 519 HG11 VAL 70 1HG1 VAL 70 -1.208 -1.076 -8.031 520 HG12 VAL 70 2HG1 VAL 70 -2.570 -2.145 -7.690 521 HG13 VAL 70 3HG1 VAL 70 -2.199 -0.811 -6.598 522 HG21 VAL 70 3HG2 VAL 70 -1.060 -0.947 -4.961 523 HG22 VAL 70 1HG2 VAL 70 -1.284 -2.588 -4.355 524 HG23 VAL 70 2HG2 VAL 70 0.335 -2.002 -4.735 525 H ASP 71 H ASP 71 -1.789 -6.231 -5.509 526 HA ASP 71 HA ASP 71 0.548 -6.418 -3.878 527 HB2 ASP 71 1HB ASP 71 -1.720 -8.227 -4.580 528 HB3 ASP 71 2HB ASP 71 -0.265 -8.943 -3.893 529 H LYS 72 H LYS 72 -0.477 -8.046 -6.874 530 HA LYS 72 HA LYS 72 2.292 -8.943 -7.270 531 HB2 LYS 72 1HB LYS 72 -0.317 -9.877 -8.466 532 HB3 LYS 72 2HB LYS 72 1.253 -10.421 -9.042 533 HG2 LYS 72 1HG LYS 72 0.479 -10.699 -6.162 534 HG3 LYS 72 2HG LYS 72 -0.012 -11.891 -7.368 535 HD2 LYS 72 1HD LYS 72 1.958 -12.829 -6.703 536 HD3 LYS 72 2HD LYS 72 2.564 -11.778 -7.984 537 HE2 LYS 72 1HE LYS 72 3.531 -10.319 -6.516 538 HE3 LYS 72 2HE LYS 72 2.354 -10.649 -5.245 539 HZ1 LYS 72 3HZ LYS 72 4.022 -11.812 -4.346 540 HZ2 LYS 72 1HZ LYS 72 4.878 -11.938 -5.800 541 HZ3 LYS 72 2HZ LYS 72 3.612 -13.010 -5.468 542 H GLU 73 H GLU 73 0.830 -6.261 -7.891 543 HA GLU 73 HA GLU 73 1.050 -6.038 -10.748 544 HB2 GLU 73 1HB GLU 73 0.440 -4.145 -8.510 545 HB3 GLU 73 2HB GLU 73 0.850 -3.506 -10.095 546 HG2 GLU 73 1HG GLU 73 -0.984 -5.114 -10.951 547 HG3 GLU 73 2HG GLU 73 -1.515 -5.131 -9.270 548 H GLU 74 H GLU 74 2.509 -4.600 -11.857 549 HA GLU 74 HA GLU 74 5.204 -4.846 -10.870 550 HB2 GLU 74 1HB GLU 74 3.922 -4.030 -13.426 551 HB3 GLU 74 2HB GLU 74 5.540 -3.422 -13.106 552 HG2 GLU 74 1HG GLU 74 6.020 -5.947 -12.555 553 HG3 GLU 74 2HG GLU 74 4.617 -6.203 -13.590 554 H HIS 75 H HIS 75 6.699 -3.073 -10.687 555 HA HIS 75 HA HIS 75 5.829 -1.000 -9.058 556 HB2 HIS 75 1HB HIS 75 8.136 -1.578 -9.013 557 HB3 HIS 75 2HB HIS 75 8.315 -1.296 -10.742 558 HD1 HIS 75 1HD HIS 75 6.927 0.986 -8.030 559 HD2 HIS 75 2HD HIS 75 9.916 0.876 -10.914 560 HE1 HIS 75 1HE HIS 75 8.025 3.247 -7.948 561 HE2 HIS 75 2HE HIS 75 9.774 3.186 -9.760 562 H ALA 76 H ALA 76 6.299 -1.078 -12.554 563 HA ALA 76 HA ALA 76 5.812 1.705 -12.950 564 HB1 ALA 76 3HB ALA 76 5.623 -0.553 -14.940 565 HB2 ALA 76 1HB ALA 76 5.734 1.167 -15.313 566 HB3 ALA 76 2HB ALA 76 7.091 0.341 -14.545 567 H GLN 77 H GLN 77 3.799 -1.006 -12.403 568 HA GLN 77 HA GLN 77 1.463 0.154 -13.666 569 HB2 GLN 77 1HB GLN 77 2.020 -2.388 -12.177 570 HB3 GLN 77 2HB GLN 77 0.360 -1.866 -12.436 571 HG2 GLN 77 1HG GLN 77 2.222 -1.999 -14.756 572 HG3 GLN 77 2HG GLN 77 1.529 -3.486 -14.112 573 HE21 GLN 77 1HE2 GLN 77 1.057 -0.837 -16.131 574 HE22 GLN 77 2HE2 GLN 77 -0.618 -1.079 -16.480 575 H VAL 78 H VAL 78 2.837 -0.182 -10.464 576 HA VAL 78 HA VAL 78 0.480 0.738 -9.096 577 HB VAL 78 HB VAL 78 3.300 0.596 -8.028 578 HG11 VAL 78 1HG1 VAL 78 1.334 0.036 -6.076 579 HG12 VAL 78 2HG1 VAL 78 2.425 1.421 -6.162 580 HG13 VAL 78 3HG1 VAL 78 0.834 1.500 -6.921 581 HG21 VAL 78 3HG2 VAL 78 1.225 -1.507 -8.430 582 HG22 VAL 78 1HG2 VAL 78 2.975 -1.596 -8.634 583 HG23 VAL 78 2HG2 VAL 78 2.274 -1.596 -7.015 584 H VAL 79 H VAL 79 3.689 2.132 -9.769 585 HA VAL 79 HA VAL 79 3.374 4.612 -8.618 586 HB VAL 79 HB VAL 79 5.457 3.714 -9.719 587 HG11 VAL 79 1HG1 VAL 79 5.815 4.097 -12.061 588 HG12 VAL 79 2HG1 VAL 79 4.349 3.134 -11.870 589 HG13 VAL 79 3HG1 VAL 79 4.233 4.858 -12.225 590 HG21 VAL 79 3HG2 VAL 79 4.454 6.496 -9.887 591 HG22 VAL 79 1HG2 VAL 79 5.837 5.839 -9.013 592 HG23 VAL 79 2HG2 VAL 79 5.947 6.126 -10.749 593 H GLU 80 H GLU 80 2.293 3.525 -11.805 594 HA GLU 80 HA GLU 80 1.468 5.960 -12.859 595 HB2 GLU 80 1HB GLU 80 1.567 3.704 -14.022 596 HB3 GLU 80 2HB GLU 80 0.013 3.352 -13.280 597 HG2 GLU 80 1HG GLU 80 -0.785 5.525 -14.375 598 HG3 GLU 80 2HG GLU 80 0.678 5.407 -15.352 599 H LEU 81 H LEU 81 -0.223 3.739 -10.698 600 HA LEU 81 HA LEU 81 -2.732 4.994 -10.736 601 HB2 LEU 81 1HB LEU 81 -1.311 3.150 -8.893 602 HB3 LEU 81 2HB LEU 81 -2.748 3.971 -8.288 603 HG LEU 81 HG LEU 81 -3.353 1.784 -9.080 604 HD11 LEU 81 1HD1 LEU 81 -4.272 3.690 -11.209 605 HD12 LEU 81 2HD1 LEU 81 -4.819 3.817 -9.538 606 HD13 LEU 81 3HD1 LEU 81 -5.154 2.355 -10.466 607 HD21 LEU 81 3HD2 LEU 81 -3.037 1.848 -11.838 608 HD22 LEU 81 1HD2 LEU 81 -2.127 0.864 -10.691 609 HD23 LEU 81 2HD2 LEU 81 -1.498 2.430 -11.202 610 H VAL 82 H VAL 82 -0.210 5.222 -8.219 611 HA VAL 82 HA VAL 82 -1.211 7.101 -6.572 612 HB VAL 82 HB VAL 82 1.623 6.995 -7.609 613 HG11 VAL 82 1HG1 VAL 82 0.316 8.791 -5.683 614 HG12 VAL 82 2HG1 VAL 82 1.823 8.059 -5.128 615 HG13 VAL 82 3HG1 VAL 82 1.797 9.007 -6.615 616 HG21 VAL 82 3HG2 VAL 82 0.323 5.093 -6.216 617 HG22 VAL 82 1HG2 VAL 82 2.051 5.407 -6.059 618 HG23 VAL 82 2HG2 VAL 82 0.921 6.089 -4.889 619 H ARG 83 H ARG 83 0.522 7.848 -9.593 620 HA ARG 83 HA ARG 83 0.274 10.634 -9.444 621 HB2 ARG 83 1HB ARG 83 0.533 8.798 -11.828 622 HB3 ARG 83 2HB ARG 83 0.611 10.551 -11.940 623 HG2 ARG 83 1HG ARG 83 2.591 10.617 -10.603 624 HG3 ARG 83 2HG ARG 83 2.461 8.894 -10.242 625 HD2 ARG 83 1HD ARG 83 2.585 8.581 -12.800 626 HD3 ARG 83 2HD ARG 83 3.198 10.234 -12.819 627 HE ARG 83 HE ARG 83 4.711 8.886 -10.951 628 HH11 ARG 83 1HH1 ARG 83 4.040 8.604 -14.355 629 HH12 ARG 83 2HH1 ARG 83 5.581 7.910 -14.735 630 HH21 ARG 83 1HH2 ARG 83 6.744 7.973 -11.438 631 HH22 ARG 83 2HH2 ARG 83 7.118 7.551 -13.074 632 H LYS 84 H LYS 84 -1.647 8.365 -11.420 633 HA LYS 84 HA LYS 84 -3.515 10.088 -12.429 634 HB2 LYS 84 1HB LYS 84 -3.873 7.242 -11.486 635 HB3 LYS 84 2HB LYS 84 -5.100 8.120 -12.390 636 HG2 LYS 84 1HG LYS 84 -3.588 8.355 -14.269 637 HG3 LYS 84 2HG LYS 84 -2.307 7.549 -13.361 638 HD2 LYS 84 1HD LYS 84 -3.266 5.483 -13.577 639 HD3 LYS 84 2HD LYS 84 -4.904 6.134 -13.669 640 HE2 LYS 84 1HE LYS 84 -2.847 6.430 -15.851 641 HE3 LYS 84 2HE LYS 84 -4.047 5.140 -15.800 642 HZ1 LYS 84 3HZ LYS 84 -5.101 7.823 -15.510 643 HZ2 LYS 84 1HZ LYS 84 -5.682 6.522 -16.424 644 HZ3 LYS 84 2HZ LYS 84 -4.424 7.482 -17.023 645 H SER 85 H SER 85 -3.529 8.548 -9.243 646 HA SER 85 HA SER 85 -5.944 9.050 -8.212 647 HB2 SER 85 1HB SER 85 -3.369 9.795 -6.804 648 HB3 SER 85 2HB SER 85 -4.910 9.432 -6.028 649 HG SER 85 HG SER 85 -3.227 7.688 -6.254 650 H GLY 86 H GLY 86 -3.378 11.532 -8.052 651 HA2 GLY 86 1HA GLY 86 -4.088 13.755 -9.014 652 HA3 GLY 86 2HA GLY 86 -5.518 13.567 -8.011 653 H ASN 87 H ASN 87 -5.020 15.556 -6.978 654 HA ASN 87 HA ASN 87 -2.653 16.262 -5.749 655 HB2 ASN 87 1HB ASN 87 -5.423 16.815 -4.664 656 HB3 ASN 87 2HB ASN 87 -3.963 17.746 -4.343 657 HD21 ASN 87 1HD2 ASN 87 -2.862 18.564 -6.380 658 HD22 ASN 87 2HD2 ASN 87 -3.898 19.244 -7.584 659 H SER 88 H SER 88 -5.346 14.392 -4.376 660 HA SER 88 HA SER 88 -3.576 13.614 -2.154 661 HB2 SER 88 1HB SER 88 -5.648 14.780 -1.474 662 HB3 SER 88 2HB SER 88 -6.602 13.533 -2.278 663 HG SER 88 HG SER 88 -6.147 13.353 0.102 664 H VAL 89 H VAL 89 -3.266 11.475 -1.663 665 HA VAL 89 HA VAL 89 -4.499 9.503 -3.472 666 HB VAL 89 HB VAL 89 -1.639 9.410 -2.507 667 HG11 VAL 89 1HG1 VAL 89 -1.735 7.723 -4.583 668 HG12 VAL 89 2HG1 VAL 89 -2.048 7.220 -2.920 669 HG13 VAL 89 3HG1 VAL 89 -3.394 7.563 -4.007 670 HG21 VAL 89 3HG2 VAL 89 -2.844 10.789 -4.753 671 HG22 VAL 89 1HG2 VAL 89 -1.200 10.882 -4.122 672 HG23 VAL 89 2HG2 VAL 89 -1.633 9.617 -5.271 673 H THR 90 H THR 90 -4.819 7.415 -2.622 674 HA THR 90 HA THR 90 -4.745 7.299 0.322 675 HB THR 90 HB THR 90 -6.631 5.790 -1.495 676 HG1 THR 90 1HG THR 90 -8.117 7.410 -0.337 677 HG21 THR 90 3HG2 THR 90 -6.450 4.606 0.528 678 HG22 THR 90 1HG2 THR 90 -7.894 5.598 0.723 679 HG23 THR 90 2HG2 THR 90 -6.380 6.084 1.487 680 H LEU 91 H LEU 91 -3.880 5.540 1.322 681 HA LEU 91 HA LEU 91 -3.036 3.261 -0.308 682 HB2 LEU 91 1HB LEU 91 -1.155 4.585 1.627 683 HB3 LEU 91 2HB LEU 91 -0.798 3.303 0.472 684 HG LEU 91 HG LEU 91 -1.600 6.068 -0.398 685 HD11 LEU 91 1HD1 LEU 91 0.450 6.892 -0.075 686 HD12 LEU 91 2HD1 LEU 91 1.234 5.396 -0.581 687 HD13 LEU 91 3HD1 LEU 91 0.653 5.570 1.075 688 HD21 LEU 91 3HD2 LEU 91 -0.843 3.572 -1.695 689 HD22 LEU 91 1HD2 LEU 91 0.110 4.953 -2.239 690 HD23 LEU 91 2HD2 LEU 91 -1.649 4.995 -2.356 691 H LEU 92 H LEU 92 -2.945 1.322 0.781 692 HA LEU 92 HA LEU 92 -3.873 1.389 3.576 693 HB2 LEU 92 1HB LEU 92 -4.438 -0.524 1.333 694 HB3 LEU 92 2HB LEU 92 -4.698 -0.970 3.019 695 HG LEU 92 HG LEU 92 -6.024 1.406 1.727 696 HD11 LEU 92 1HD1 LEU 92 -7.497 0.096 0.715 697 HD12 LEU 92 2HD1 LEU 92 -7.787 -0.806 2.202 698 HD13 LEU 92 3HD1 LEU 92 -6.484 -1.291 1.119 699 HD21 LEU 92 3HD2 LEU 92 -6.401 1.788 3.915 700 HD22 LEU 92 1HD2 LEU 92 -6.066 0.118 4.374 701 HD23 LEU 92 2HD2 LEU 92 -7.643 0.551 3.713 702 H VAL 93 H VAL 93 -2.200 1.012 4.878 703 HA VAL 93 HA VAL 93 -0.171 -0.950 4.066 704 HB VAL 93 HB VAL 93 1.239 0.001 5.832 705 HG11 VAL 93 1HG1 VAL 93 1.346 2.387 4.846 706 HG12 VAL 93 2HG1 VAL 93 1.643 1.013 3.779 707 HG13 VAL 93 3HG1 VAL 93 0.076 1.824 3.760 708 HG21 VAL 93 3HG2 VAL 93 0.502 2.096 6.959 709 HG22 VAL 93 1HG2 VAL 93 -1.114 1.824 6.306 710 HG23 VAL 93 2HG2 VAL 93 -0.415 0.668 7.439 711 H LEU 94 H LEU 94 0.108 -2.819 5.137 712 HA LEU 94 HA LEU 94 -1.575 -3.285 7.509 713 HB2 LEU 94 1HB LEU 94 -2.104 -4.595 5.440 714 HB3 LEU 94 2HB LEU 94 -0.520 -5.353 5.590 715 HG LEU 94 HG LEU 94 -1.260 -6.197 7.846 716 HD11 LEU 94 1HD1 LEU 94 -3.136 -4.500 8.002 717 HD12 LEU 94 2HD1 LEU 94 -3.532 -6.157 8.458 718 HD13 LEU 94 3HD1 LEU 94 -4.029 -5.533 6.885 719 HD21 LEU 94 3HD2 LEU 94 -2.902 -7.119 5.491 720 HD22 LEU 94 1HD2 LEU 94 -2.487 -8.056 6.926 721 HD23 LEU 94 2HD2 LEU 94 -1.225 -7.575 5.792 722 H ASP 95 H ASP 95 -0.722 -4.849 9.081 723 HA ASP 95 HA ASP 95 1.934 -4.187 9.839 724 HB2 ASP 95 1HB ASP 95 -0.139 -4.923 11.283 725 HB3 ASP 95 2HB ASP 95 0.500 -6.542 11.005 726 H GLY 96 H GLY 96 3.809 -5.375 9.781 727 HA2 GLY 96 1HA GLY 96 4.257 -7.079 7.626 728 HA3 GLY 96 2HA GLY 96 5.316 -6.929 9.020 729 H ASP 97 H ASP 97 3.806 -7.932 11.051 730 HA ASP 97 HA ASP 97 4.123 -10.695 10.761 731 HB2 ASP 97 1HB ASP 97 3.966 -9.264 12.909 732 HB3 ASP 97 2HB ASP 97 2.225 -9.484 12.756 733 H SER 98 H SER 98 1.109 -8.795 10.880 734 HA SER 98 HA SER 98 -0.676 -10.876 10.451 735 HB2 SER 98 1HB SER 98 -0.867 -7.976 9.606 736 HB3 SER 98 2HB SER 98 -2.216 -9.110 9.561 737 HG SER 98 HG SER 98 -2.170 -9.253 11.760 738 H TYR 99 H TYR 99 0.714 -8.674 8.016 739 HA TYR 99 HA TYR 99 -0.397 -9.658 5.732 740 HB2 TYR 99 1HB TYR 99 1.302 -7.759 6.011 741 HB3 TYR 99 2HB TYR 99 2.541 -9.001 5.865 742 HD1 TYR 99 2HD TYR 99 2.299 -10.561 3.753 743 HD2 TYR 99 1HD TYR 99 0.570 -6.689 4.096 744 HE1 TYR 99 2HE TYR 99 2.168 -10.409 1.302 745 HE2 TYR 99 1HE TYR 99 0.434 -6.526 1.646 746 HH TYR 99 HH TYR 99 0.303 -8.236 -0.307 747 H GLU 100 H GLU 100 2.688 -10.814 7.106 748 HA GLU 100 HA GLU 100 3.026 -12.957 5.334 749 HB2 GLU 100 1HB GLU 100 4.002 -12.729 8.187 750 HB3 GLU 100 2HB GLU 100 4.626 -13.834 6.970 751 HG2 GLU 100 1HG GLU 100 5.532 -12.057 5.692 752 HG3 GLU 100 2HG GLU 100 4.682 -10.848 6.652 753 H LYS 101 H LYS 101 1.612 -12.883 8.595 754 HA LYS 101 HA LYS 101 1.057 -15.548 8.957 755 HB2 LYS 101 1HB LYS 101 0.652 -13.673 10.590 756 HB3 LYS 101 2HB LYS 101 -0.828 -13.312 9.711 757 HG2 LYS 101 1HG LYS 101 -1.659 -15.567 10.209 758 HG3 LYS 101 2HG LYS 101 -0.187 -15.891 11.128 759 HD2 LYS 101 1HD LYS 101 -1.807 -13.483 11.809 760 HD3 LYS 101 2HD LYS 101 -2.384 -15.070 12.324 761 HE2 LYS 101 1HE LYS 101 -0.478 -15.456 13.638 762 HE3 LYS 101 2HE LYS 101 0.430 -14.165 12.852 763 HZ1 LYS 101 3HZ LYS 101 -0.856 -12.534 13.948 764 HZ2 LYS 101 1HZ LYS 101 -0.416 -13.655 15.136 765 HZ3 LYS 101 2HZ LYS 101 -1.983 -13.668 14.501 766 H ALA 102 H ALA 102 -0.978 -13.147 7.304 767 HA ALA 102 HA ALA 102 -3.135 -14.779 6.678 768 HB1 ALA 102 3HB ALA 102 -3.843 -12.853 5.839 769 HB2 ALA 102 1HB ALA 102 -2.213 -12.188 5.953 770 HB3 ALA 102 2HB ALA 102 -2.721 -13.032 4.489 771 H VAL 103 H VAL 103 -0.486 -13.916 4.443 772 HA VAL 103 HA VAL 103 -0.986 -15.485 2.323 773 HB VAL 103 HB VAL 103 1.731 -15.218 3.618 774 HG11 VAL 103 1HG1 VAL 103 1.002 -16.856 1.513 775 HG12 VAL 103 2HG1 VAL 103 1.654 -15.418 0.725 776 HG13 VAL 103 3HG1 VAL 103 2.633 -16.305 1.894 777 HG21 VAL 103 3HG2 VAL 103 1.323 -13.041 3.191 778 HG22 VAL 103 1HG2 VAL 103 1.735 -13.498 1.538 779 HG23 VAL 103 2HG2 VAL 103 0.044 -13.398 2.030 780 H LYS 104 H LYS 104 0.782 -16.640 5.196 781 HA LYS 104 HA LYS 104 1.194 -19.256 4.478 782 HB2 LYS 104 1HB LYS 104 0.528 -18.093 7.183 783 HB3 LYS 104 2HB LYS 104 1.032 -19.762 6.952 784 HG2 LYS 104 1HG LYS 104 2.750 -17.617 5.830 785 HG3 LYS 104 2HG LYS 104 2.749 -17.864 7.577 786 HD2 LYS 104 1HD LYS 104 4.414 -19.313 6.990 787 HD3 LYS 104 2HD LYS 104 3.026 -20.395 6.855 788 HE2 LYS 104 1HE LYS 104 3.030 -20.315 4.537 789 HE3 LYS 104 2HE LYS 104 3.929 -18.799 4.491 790 HZ1 LYS 104 3HZ LYS 104 5.228 -20.799 3.836 791 HZ2 LYS 104 1HZ LYS 104 5.090 -21.365 5.424 792 HZ3 LYS 104 2HZ LYS 104 5.913 -19.921 5.110 793 H ASN 105 H ASN 105 -1.661 -17.970 6.180 794 HA ASN 105 HA ASN 105 -3.061 -20.487 5.850 795 HB2 ASN 105 1HB ASN 105 -4.260 -17.932 6.903 796 HB3 ASN 105 2HB ASN 105 -4.730 -19.591 7.261 797 HD21 ASN 105 1HD2 ASN 105 -3.458 -17.023 8.641 798 HD22 ASN 105 2HD2 ASN 105 -2.357 -17.749 9.758 799 H GLN 106 H GLN 106 -2.291 -18.682 3.547 800 HA GLN 106 HA GLN 106 -3.234 -17.695 1.689 801 HB2 GLN 106 1HB GLN 106 -4.652 -20.316 2.079 802 HB3 GLN 106 2HB GLN 106 -4.989 -19.303 0.681 803 HG2 GLN 106 1HG GLN 106 -2.804 -19.525 -0.144 804 HG3 GLN 106 2HG GLN 106 -2.205 -20.162 1.387 805 HE21 GLN 106 1HE2 GLN 106 -2.537 -22.306 1.894 806 HE22 GLN 106 2HE2 GLN 106 -3.081 -23.467 0.736 807 H VAL 107 H VAL 107 -4.194 -16.262 3.705 808 HA VAL 107 HA VAL 107 -7.089 -16.259 3.716 809 HB VAL 107 HB VAL 107 -5.141 -14.323 4.976 810 HG11 VAL 107 1HG1 VAL 107 -6.875 -13.179 5.881 811 HG12 VAL 107 2HG1 VAL 107 -7.701 -13.759 4.433 812 HG13 VAL 107 3HG1 VAL 107 -7.913 -14.602 5.968 813 HG21 VAL 107 3HG2 VAL 107 -6.404 -15.726 6.982 814 HG22 VAL 107 1HG2 VAL 107 -6.111 -16.955 5.752 815 HG23 VAL 107 2HG2 VAL 107 -4.766 -16.011 6.393 816 H ASP 108 H ASP 108 -8.396 -14.966 2.564 817 HA ASP 108 HA ASP 108 -7.562 -13.701 0.244 818 HB2 ASP 108 1HB ASP 108 -10.040 -13.150 1.891 819 HB3 ASP 108 2HB ASP 108 -9.795 -12.624 0.228 820 H LEU 109 H LEU 109 -6.516 -11.869 -0.139 821 HA LEU 109 HA LEU 109 -6.267 -9.910 2.025 822 HB2 LEU 109 1HB LEU 109 -4.686 -10.295 -0.511 823 HB3 LEU 109 2HB LEU 109 -4.405 -9.000 0.650 824 HG LEU 109 HG LEU 109 -4.160 -11.931 1.313 825 HD11 LEU 109 1HD1 LEU 109 -1.887 -11.854 0.900 826 HD12 LEU 109 2HD1 LEU 109 -1.837 -10.092 0.915 827 HD13 LEU 109 3HD1 LEU 109 -2.549 -10.941 -0.456 828 HD21 LEU 109 3HD2 LEU 109 -4.596 -10.135 3.109 829 HD22 LEU 109 1HD2 LEU 109 -2.940 -9.622 2.782 830 HD23 LEU 109 2HD2 LEU 109 -3.260 -11.262 3.350 831 H LYS 110 H LYS 110 -7.333 -10.261 -1.297 832 HA LYS 110 HA LYS 110 -7.635 -7.652 -2.102 833 HB2 LYS 110 1HB LYS 110 -9.286 -10.108 -2.625 834 HB3 LYS 110 2HB LYS 110 -9.730 -8.558 -3.328 835 HG2 LYS 110 1HG LYS 110 -7.614 -8.428 -4.480 836 HG3 LYS 110 2HG LYS 110 -7.068 -9.916 -3.703 837 HD2 LYS 110 1HD LYS 110 -7.769 -10.662 -5.783 838 HD3 LYS 110 2HD LYS 110 -9.187 -10.959 -4.774 839 HE2 LYS 110 1HE LYS 110 -8.936 -8.345 -6.186 840 HE3 LYS 110 2HE LYS 110 -9.405 -9.771 -7.111 841 HZ1 LYS 110 3HZ LYS 110 -10.915 -8.255 -5.181 842 HZ2 LYS 110 1HZ LYS 110 -11.004 -9.928 -4.950 843 HZ3 LYS 110 2HZ LYS 110 -11.455 -9.255 -6.434 844 H GLU 111 H GLU 111 -9.534 -9.441 0.218 845 HA GLU 111 HA GLU 111 -11.742 -7.667 0.333 846 HB2 GLU 111 1HB GLU 111 -10.681 -9.575 2.425 847 HB3 GLU 111 2HB GLU 111 -12.249 -8.782 2.479 848 HG2 GLU 111 1HG GLU 111 -12.948 -9.949 0.481 849 HG3 GLU 111 2HG GLU 111 -11.355 -10.689 0.330 850 H LEU 112 H LEU 112 -8.734 -7.909 2.184 851 HA LEU 112 HA LEU 112 -9.018 -6.216 4.235 852 HB2 LEU 112 1HB LEU 112 -6.720 -6.011 2.298 853 HB3 LEU 112 2HB LEU 112 -6.709 -5.558 4.001 854 HG LEU 112 HG LEU 112 -7.093 -8.381 3.016 855 HD11 LEU 112 1HD1 LEU 112 -4.926 -8.172 2.420 856 HD12 LEU 112 2HD1 LEU 112 -4.663 -8.402 4.149 857 HD13 LEU 112 3HD1 LEU 112 -4.657 -6.777 3.465 858 HD21 LEU 112 3HD2 LEU 112 -6.679 -7.130 5.717 859 HD22 LEU 112 1HD2 LEU 112 -6.367 -8.838 5.407 860 HD23 LEU 112 2HD2 LEU 112 -7.989 -8.184 5.181 861 H ASP 113 H ASP 113 -10.331 -4.484 4.216 862 HA ASP 113 HA ASP 113 -9.455 -2.125 2.816 863 HB2 ASP 113 1HB ASP 113 -10.943 -3.419 1.186 864 HB3 ASP 113 2HB ASP 113 -12.275 -3.044 2.275 865 H GLN 114 H GLN 114 -9.393 -0.804 4.518 866 HA GLN 114 HA GLN 114 -10.928 -0.990 6.831 867 HB2 GLN 114 1HB GLN 114 -8.895 0.289 6.832 868 HB3 GLN 114 2HB GLN 114 -9.519 1.379 5.601 869 HG2 GLN 114 1HG GLN 114 -9.497 2.324 7.896 870 HG3 GLN 114 2HG GLN 114 -11.082 2.329 7.122 871 HE21 GLN 114 1HE2 GLN 114 -9.328 1.463 9.847 872 HE22 GLN 114 2HE2 GLN 114 -10.525 0.489 10.625 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -16.275 -27.765 -6.700 2 HA2 GLY 1 1HA GLY 1 -15.895 -30.493 -7.575 3 HA3 GLY 1 2HA GLY 1 -14.446 -29.744 -6.921 4 H SER 2 H SER 2 -15.007 -28.479 -4.766 5 HA SER 2 HA SER 2 -15.983 -30.512 -2.959 6 HB2 SER 2 1HB SER 2 -13.937 -29.187 -2.459 7 HB3 SER 2 2HB SER 2 -14.937 -27.739 -2.335 8 HG SER 2 HG SER 2 -16.142 -29.109 -0.710 9 H SER 3 H SER 3 -17.633 -30.204 -1.402 10 HA SER 3 HA SER 3 -19.693 -28.290 -2.269 11 HB2 SER 3 1HB SER 3 -20.482 -30.550 -2.462 12 HB3 SER 3 2HB SER 3 -19.923 -30.943 -0.836 13 HG SER 3 HG SER 3 -22.227 -29.696 -1.651 14 H GLY 4 H GLY 4 -20.572 -26.858 -0.854 15 HA2 GLY 4 1HA GLY 4 -21.004 -25.797 1.164 16 HA3 GLY 4 2HA GLY 4 -20.166 -27.101 1.993 17 H SER 5 H SER 5 -20.007 -24.157 2.311 18 HA SER 5 HA SER 5 -17.214 -23.672 1.551 19 HB2 SER 5 1HB SER 5 -17.673 -21.312 2.085 20 HB3 SER 5 2HB SER 5 -18.823 -21.934 0.902 21 HG SER 5 HG SER 5 -19.521 -22.138 3.590 22 H SER 6 H SER 6 -17.592 -25.515 3.580 23 HA SER 6 HA SER 6 -17.524 -24.398 6.177 24 HB2 SER 6 1HB SER 6 -16.883 -26.579 6.933 25 HB3 SER 6 2HB SER 6 -18.009 -26.811 5.596 26 HG SER 6 HG SER 6 -15.811 -26.791 4.370 27 H GLY 7 H GLY 7 -16.019 -23.050 6.902 28 HA2 GLY 7 1HA GLY 7 -13.445 -23.532 7.467 29 HA3 GLY 7 2HA GLY 7 -13.343 -23.072 5.774 30 H MET 8 H MET 8 -13.458 -21.967 8.967 31 HA MET 8 HA MET 8 -14.576 -19.410 8.648 32 HB2 MET 8 1HB MET 8 -13.829 -20.741 10.792 33 HB3 MET 8 2HB MET 8 -12.319 -19.872 10.556 34 HG2 MET 8 1HG MET 8 -13.610 -17.749 10.580 35 HG3 MET 8 2HG MET 8 -15.046 -18.684 10.991 36 HE1 MET 8 3HE MET 8 -15.349 -17.231 13.550 37 HE2 MET 8 1HE MET 8 -13.811 -16.623 14.162 38 HE3 MET 8 2HE MET 8 -14.270 -16.329 12.485 39 H ALA 9 H ALA 9 -13.834 -17.581 7.770 40 HA ALA 9 HA ALA 9 -11.192 -17.614 6.540 41 HB1 ALA 9 3HB ALA 9 -12.204 -15.272 5.735 42 HB2 ALA 9 1HB ALA 9 -12.568 -16.802 4.937 43 HB3 ALA 9 2HB ALA 9 -13.705 -16.122 6.101 44 H SER 10 H SER 10 -9.819 -15.680 6.664 45 HA SER 10 HA SER 10 -9.992 -14.407 9.317 46 HB2 SER 10 1HB SER 10 -7.598 -15.358 7.747 47 HB3 SER 10 2HB SER 10 -7.447 -14.201 9.070 48 HG SER 10 HG SER 10 -7.179 -16.440 9.685 49 H THR 11 H THR 11 -10.075 -12.256 9.381 50 HA THR 11 HA THR 11 -9.201 -10.731 7.023 51 HB THR 11 HB THR 11 -11.135 -9.198 7.340 52 HG1 THR 11 1HG THR 11 -11.467 -10.171 9.594 53 HG21 THR 11 3HG2 THR 11 -12.850 -10.751 6.398 54 HG22 THR 11 1HG2 THR 11 -11.757 -12.091 6.743 55 HG23 THR 11 2HG2 THR 11 -11.284 -10.840 5.593 56 H PHE 12 H PHE 12 -7.729 -9.273 7.566 57 HA PHE 12 HA PHE 12 -7.530 -8.418 10.357 58 HB2 PHE 12 1HB PHE 12 -5.574 -7.961 8.097 59 HB3 PHE 12 2HB PHE 12 -5.285 -7.686 9.811 60 HD1 PHE 12 1HD PHE 12 -5.150 -9.623 11.360 61 HD2 PHE 12 2HD PHE 12 -5.322 -10.101 7.134 62 HE1 PHE 12 1HE PHE 12 -4.310 -11.925 11.590 63 HE2 PHE 12 2HE PHE 12 -4.484 -12.403 7.357 64 HZ PHE 12 HZ PHE 12 -3.977 -13.318 9.587 65 H ASN 13 H ASN 13 -7.143 -6.170 10.866 66 HA ASN 13 HA ASN 13 -8.623 -4.390 9.059 67 HB2 ASN 13 1HB ASN 13 -7.931 -3.756 11.918 68 HB3 ASN 13 2HB ASN 13 -9.237 -3.105 10.932 69 HD21 ASN 13 1HD2 ASN 13 -9.379 -4.304 13.554 70 HD22 ASN 13 2HD2 ASN 13 -10.435 -5.664 13.417 71 HA PRO 14 HA PRO 14 -4.402 -2.851 8.339 72 HB2 PRO 14 1HB PRO 14 -5.003 -1.726 5.943 73 HB3 PRO 14 2HB PRO 14 -4.631 -3.443 6.131 74 HG2 PRO 14 1HG PRO 14 -7.295 -2.095 5.911 75 HG3 PRO 14 2HG PRO 14 -6.730 -3.590 5.141 76 HD2 PRO 14 1HD PRO 14 -8.307 -3.591 7.342 77 HD3 PRO 14 2HD PRO 14 -7.096 -4.852 7.034 78 H ARG 15 H ARG 15 -3.783 -0.547 7.425 79 HA ARG 15 HA ARG 15 -5.545 1.432 8.713 80 HB2 ARG 15 1HB ARG 15 -3.540 1.062 10.061 81 HB3 ARG 15 2HB ARG 15 -2.523 1.386 8.663 82 HG2 ARG 15 1HG ARG 15 -3.708 3.681 8.625 83 HG3 ARG 15 2HG ARG 15 -4.163 3.286 10.284 84 HD2 ARG 15 1HD ARG 15 -1.317 3.057 9.382 85 HD3 ARG 15 2HD ARG 15 -1.986 4.618 9.854 86 HE ARG 15 HE ARG 15 -1.191 2.521 11.590 87 HH11 ARG 15 1HH1 ARG 15 -3.575 5.028 11.201 88 HH12 ARG 15 2HH1 ARG 15 -3.858 5.203 12.901 89 HH21 ARG 15 1HH2 ARG 15 -1.555 2.742 13.830 90 HH22 ARG 15 2HH2 ARG 15 -2.709 3.903 14.396 91 H GLU 16 H GLU 16 -6.144 3.119 7.503 92 HA GLU 16 HA GLU 16 -5.092 3.310 4.792 93 HB2 GLU 16 1HB GLU 16 -7.494 3.294 4.988 94 HB3 GLU 16 2HB GLU 16 -7.455 4.613 6.149 95 HG2 GLU 16 1HG GLU 16 -6.610 6.115 4.421 96 HG3 GLU 16 2HG GLU 16 -6.646 4.793 3.255 97 H CYS 17 H CYS 17 -4.391 5.298 3.874 98 HA CYS 17 HA CYS 17 -3.723 7.453 5.728 99 HB2 CYS 17 1HB CYS 17 -1.709 5.933 4.069 100 HB3 CYS 17 2HB CYS 17 -1.386 7.521 4.755 101 HG CYS 17 HG CYS 17 -0.450 6.569 6.937 102 H LYS 18 H LYS 18 -4.163 9.364 4.854 103 HA LYS 18 HA LYS 18 -4.472 9.519 1.932 104 HB2 LYS 18 1HB LYS 18 -5.844 10.894 4.211 105 HB3 LYS 18 2HB LYS 18 -5.774 11.683 2.640 106 HG2 LYS 18 1HG LYS 18 -7.182 10.182 1.665 107 HG3 LYS 18 2HG LYS 18 -6.702 8.866 2.739 108 HD2 LYS 18 1HD LYS 18 -8.164 11.215 3.862 109 HD3 LYS 18 2HD LYS 18 -9.061 9.982 2.973 110 HE2 LYS 18 1HE LYS 18 -9.198 9.159 5.112 111 HE3 LYS 18 2HE LYS 18 -7.750 8.338 4.533 112 HZ1 LYS 18 3HZ LYS 18 -7.111 10.866 5.661 113 HZ2 LYS 18 1HZ LYS 18 -6.537 9.331 6.082 114 HZ3 LYS 18 2HZ LYS 18 -7.965 9.918 6.772 115 H LEU 19 H LEU 19 -2.557 10.201 1.144 116 HA LEU 19 HA LEU 19 -1.064 12.291 2.502 117 HB2 LEU 19 1HB LEU 19 -0.545 10.386 0.288 118 HB3 LEU 19 2HB LEU 19 0.358 11.900 0.286 119 HG LEU 19 HG LEU 19 0.961 11.239 2.729 120 HD11 LEU 19 1HD1 LEU 19 1.003 8.899 3.192 121 HD12 LEU 19 2HD1 LEU 19 0.385 8.513 1.586 122 HD13 LEU 19 3HD1 LEU 19 -0.650 9.333 2.755 123 HD21 LEU 19 3HD2 LEU 19 2.667 9.509 1.520 124 HD22 LEU 19 1HD2 LEU 19 2.842 11.264 1.502 125 HD23 LEU 19 2HD2 LEU 19 2.086 10.439 0.138 126 H SER 20 H SER 20 -0.731 14.344 1.745 127 HA SER 20 HA SER 20 -2.025 15.125 -0.765 128 HB2 SER 20 1HB SER 20 -3.712 15.653 0.847 129 HB3 SER 20 2HB SER 20 -2.531 16.373 1.941 130 HG SER 20 HG SER 20 -3.370 18.093 0.938 131 H LYS 21 H LYS 21 -0.631 16.211 -1.970 132 HA LYS 21 HA LYS 21 1.449 17.812 -0.627 133 HB2 LYS 21 1HB LYS 21 2.987 17.255 -2.408 134 HB3 LYS 21 2HB LYS 21 2.349 15.771 -1.712 135 HG2 LYS 21 1HG LYS 21 0.796 15.555 -3.581 136 HG3 LYS 21 2HG LYS 21 1.423 17.051 -4.277 137 HD2 LYS 21 1HD LYS 21 3.705 15.914 -4.247 138 HD3 LYS 21 2HD LYS 21 2.829 14.414 -3.933 139 HE2 LYS 21 1HE LYS 21 1.787 14.444 -6.009 140 HE3 LYS 21 2HE LYS 21 2.054 16.172 -6.228 141 HZ1 LYS 21 3HZ LYS 21 4.562 15.075 -6.025 142 HZ2 LYS 21 1HZ LYS 21 3.810 15.618 -7.440 143 HZ3 LYS 21 2HZ LYS 21 3.705 13.989 -6.997 144 H GLN 22 H GLN 22 2.252 19.650 -1.872 145 HA GLN 22 HA GLN 22 0.062 21.020 -3.191 146 HB2 GLN 22 1HB GLN 22 2.838 22.007 -2.511 147 HB3 GLN 22 2HB GLN 22 1.495 22.999 -3.063 148 HG2 GLN 22 1HG GLN 22 0.247 22.210 -1.008 149 HG3 GLN 22 2HG GLN 22 1.788 21.566 -0.444 150 HE21 GLN 22 1HE2 GLN 22 0.086 24.488 -1.375 151 HE22 GLN 22 2HE2 GLN 22 1.090 25.581 -0.491 152 H GLU 23 H GLU 23 0.072 21.796 -5.285 153 HA GLU 23 HA GLU 23 1.116 20.267 -7.296 154 HB2 GLU 23 1HB GLU 23 -0.575 22.300 -7.299 155 HB3 GLU 23 2HB GLU 23 0.854 23.201 -7.787 156 HG2 GLU 23 1HG GLU 23 0.197 20.692 -9.237 157 HG3 GLU 23 2HG GLU 23 -0.769 22.133 -9.553 158 H GLY 24 H GLY 24 3.229 19.708 -7.321 159 HA2 GLY 24 1HA GLY 24 5.301 20.437 -8.448 160 HA3 GLY 24 2HA GLY 24 5.179 21.921 -7.515 161 H GLN 25 H GLN 25 4.452 20.697 -5.034 162 HA GLN 25 HA GLN 25 7.050 20.085 -4.056 163 HB2 GLN 25 1HB GLN 25 5.297 21.241 -2.726 164 HB3 GLN 25 2HB GLN 25 4.388 19.737 -2.668 165 HG2 GLN 25 1HG GLN 25 6.066 18.677 -1.365 166 HG3 GLN 25 2HG GLN 25 7.185 20.017 -1.608 167 HE21 GLN 25 1HE2 GLN 25 5.394 18.637 0.646 168 HE22 GLN 25 2HE2 GLN 25 4.948 20.005 1.603 169 H ASN 26 H ASN 26 7.496 18.124 -2.707 170 HA ASN 26 HA ASN 26 6.653 15.747 -4.195 171 HB2 ASN 26 1HB ASN 26 8.920 16.067 -2.214 172 HB3 ASN 26 2HB ASN 26 8.607 14.654 -3.217 173 HD21 ASN 26 1HD2 ASN 26 9.885 14.513 -4.898 174 HD22 ASN 26 2HD2 ASN 26 10.555 15.832 -5.790 175 H TYR 27 H TYR 27 6.578 13.690 -2.800 176 HA TYR 27 HA TYR 27 4.689 14.203 -0.638 177 HB2 TYR 27 1HB TYR 27 5.315 11.884 -2.400 178 HB3 TYR 27 2HB TYR 27 4.642 11.545 -0.809 179 HD1 TYR 27 2HD TYR 27 2.743 13.730 -0.429 180 HD2 TYR 27 1HD TYR 27 3.617 11.474 -3.929 181 HE1 TYR 27 2HE TYR 27 0.483 14.190 -1.283 182 HE2 TYR 27 1HE TYR 27 1.360 11.929 -4.793 183 HH TYR 27 HH TYR 27 -0.504 13.165 -4.514 184 H GLY 28 H GLY 28 7.871 12.850 -1.195 185 HA2 GLY 28 1HA GLY 28 9.524 12.912 0.543 186 HA3 GLY 28 2HA GLY 28 8.237 12.707 1.722 187 H PHE 29 H PHE 29 7.016 10.577 -0.009 188 HA PHE 29 HA PHE 29 8.843 8.417 0.800 189 HB2 PHE 29 1HB PHE 29 7.035 7.110 1.367 190 HB3 PHE 29 2HB PHE 29 6.381 8.707 1.716 191 HD1 PHE 29 1HD PHE 29 4.811 9.770 0.131 192 HD2 PHE 29 2HD PHE 29 6.134 5.754 -0.353 193 HE1 PHE 29 1HE PHE 29 2.942 9.344 -1.411 194 HE2 PHE 29 2HE PHE 29 4.268 5.321 -1.897 195 HZ PHE 29 HZ PHE 29 2.669 7.117 -2.429 196 H PHE 30 H PHE 30 9.180 6.649 -0.581 197 HA PHE 30 HA PHE 30 8.272 6.989 -3.355 198 HB2 PHE 30 1HB PHE 30 11.087 6.215 -2.565 199 HB3 PHE 30 2HB PHE 30 10.478 6.449 -4.201 200 HD1 PHE 30 1HD PHE 30 9.664 8.777 -4.840 201 HD2 PHE 30 2HD PHE 30 12.011 7.986 -1.378 202 HE1 PHE 30 1HE PHE 30 10.316 11.147 -4.744 203 HE2 PHE 30 2HE PHE 30 12.666 10.355 -1.276 204 HZ PHE 30 HZ PHE 30 11.818 11.940 -2.960 205 H LEU 31 H LEU 31 8.093 5.075 -4.574 206 HA LEU 31 HA LEU 31 7.598 2.720 -2.950 207 HB2 LEU 31 1HB LEU 31 6.987 3.500 -5.776 208 HB3 LEU 31 2HB LEU 31 6.842 1.822 -5.255 209 HG LEU 31 HG LEU 31 5.350 4.120 -3.995 210 HD11 LEU 31 1HD1 LEU 31 3.516 3.668 -5.327 211 HD12 LEU 31 2HD1 LEU 31 4.112 2.075 -5.790 212 HD13 LEU 31 3HD1 LEU 31 4.853 3.525 -6.467 213 HD21 LEU 31 3HD2 LEU 31 4.963 1.135 -3.788 214 HD22 LEU 31 1HD2 LEU 31 4.011 2.378 -2.975 215 HD23 LEU 31 2HD2 LEU 31 5.710 2.155 -2.557 216 H ARG 32 H ARG 32 8.998 1.114 -2.718 217 HA ARG 32 HA ARG 32 10.947 0.596 -4.850 218 HB2 ARG 32 1HB ARG 32 11.562 0.875 -1.905 219 HB3 ARG 32 2HB ARG 32 12.672 0.171 -3.073 220 HG2 ARG 32 1HG ARG 32 11.580 2.893 -3.585 221 HG3 ARG 32 2HG ARG 32 12.857 2.687 -2.384 222 HD2 ARG 32 1HD ARG 32 14.067 1.353 -4.231 223 HD3 ARG 32 2HD ARG 32 12.925 2.128 -5.328 224 HE ARG 32 HE ARG 32 14.002 4.169 -3.843 225 HH11 ARG 32 1HH1 ARG 32 15.233 1.678 -5.940 226 HH12 ARG 32 2HH1 ARG 32 16.592 2.613 -6.469 227 HH21 ARG 32 1HH2 ARG 32 15.788 5.410 -4.532 228 HH22 ARG 32 2HH2 ARG 32 16.907 4.735 -5.666 229 H ILE 33 H ILE 33 11.148 -1.499 -5.353 230 HA ILE 33 HA ILE 33 9.671 -3.438 -3.736 231 HB ILE 33 HB ILE 33 9.857 -4.937 -5.662 232 HG12 ILE 33 1HG1 ILE 33 11.152 -2.666 -7.166 233 HG13 ILE 33 2HG1 ILE 33 12.095 -3.934 -6.391 234 HG21 ILE 33 1HG2 ILE 33 8.381 -3.755 -7.147 235 HG22 ILE 33 2HG2 ILE 33 8.004 -3.299 -5.486 236 HG23 ILE 33 3HG2 ILE 33 8.924 -2.201 -6.514 237 HD11 ILE 33 3HD1 ILE 33 11.945 -4.821 -8.463 238 HD12 ILE 33 1HD1 ILE 33 10.448 -5.470 -7.794 239 HD13 ILE 33 2HD1 ILE 33 10.408 -4.031 -8.813 240 H GLU 34 H GLU 34 10.581 -5.501 -3.221 241 HA GLU 34 HA GLU 34 13.526 -5.517 -3.128 242 HB2 GLU 34 1HB GLU 34 11.527 -6.066 -0.970 243 HB3 GLU 34 2HB GLU 34 13.066 -6.917 -0.950 244 HG2 GLU 34 1HG GLU 34 14.112 -4.575 -1.172 245 HG3 GLU 34 2HG GLU 34 12.529 -3.990 -0.663 246 H LYS 35 H LYS 35 14.538 -7.404 -3.620 247 HA LYS 35 HA LYS 35 13.275 -9.293 -5.217 248 HB2 LYS 35 1HB LYS 35 15.793 -8.775 -4.906 249 HB3 LYS 35 2HB LYS 35 15.724 -9.958 -3.606 250 HG2 LYS 35 1HG LYS 35 14.734 -10.637 -6.346 251 HG3 LYS 35 2HG LYS 35 16.452 -10.724 -5.951 252 HD2 LYS 35 1HD LYS 35 15.535 -12.088 -3.877 253 HD3 LYS 35 2HD LYS 35 14.185 -12.385 -4.974 254 HE2 LYS 35 1HE LYS 35 15.975 -13.057 -6.681 255 HE3 LYS 35 2HE LYS 35 17.077 -13.123 -5.306 256 HZ1 LYS 35 3HZ LYS 35 16.271 -15.092 -4.739 257 HZ2 LYS 35 1HZ LYS 35 15.355 -15.103 -6.162 258 HZ3 LYS 35 2HZ LYS 35 14.681 -14.516 -4.726 259 H ASP 36 H ASP 36 12.173 -11.124 -4.852 260 HA ASP 36 HA ASP 36 11.030 -12.755 -3.753 261 HB2 ASP 36 1HB ASP 36 13.433 -13.411 -3.230 262 HB3 ASP 36 2HB ASP 36 13.201 -12.644 -1.661 263 H THR 37 H THR 37 10.156 -10.176 -3.270 264 HA THR 37 HA THR 37 9.094 -10.460 -0.548 265 HB THR 37 HB THR 37 9.908 -7.777 -1.665 266 HG1 THR 37 1HG THR 37 11.566 -8.163 0.164 267 HG21 THR 37 3HG2 THR 37 8.850 -8.775 0.953 268 HG22 THR 37 1HG2 THR 37 8.323 -7.396 -0.010 269 HG23 THR 37 2HG2 THR 37 9.836 -7.314 0.892 270 H ASP 38 H ASP 38 6.958 -10.057 -0.361 271 HA ASP 38 HA ASP 38 5.500 -9.449 -2.810 272 HB2 ASP 38 1HB ASP 38 4.234 -10.125 -0.167 273 HB3 ASP 38 2HB ASP 38 3.608 -10.398 -1.791 274 H GLY 39 H GLY 39 3.846 -7.852 -2.908 275 HA2 GLY 39 1HA GLY 39 2.856 -5.823 -2.446 276 HA3 GLY 39 2HA GLY 39 3.430 -5.981 -0.792 277 H HIS 40 H HIS 40 3.521 -3.526 -1.551 278 HA HIS 40 HA HIS 40 6.228 -3.011 -2.588 279 HB2 HIS 40 1HB HIS 40 3.654 -1.509 -2.777 280 HB3 HIS 40 2HB HIS 40 5.157 -0.591 -2.762 281 HD1 HIS 40 1HD HIS 40 6.830 -1.060 -4.760 282 HD2 HIS 40 2HD HIS 40 3.058 -2.755 -5.157 283 HE1 HIS 40 1HE HIS 40 6.632 -1.700 -7.184 284 HE2 HIS 40 2HE HIS 40 4.309 -2.646 -7.418 285 H LEU 41 H LEU 41 7.684 -2.513 -1.100 286 HA LEU 41 HA LEU 41 6.858 -1.622 1.531 287 HB2 LEU 41 1HB LEU 41 9.359 -2.639 0.300 288 HB3 LEU 41 2HB LEU 41 9.512 -1.606 1.720 289 HG LEU 41 HG LEU 41 7.743 -3.330 2.695 290 HD11 LEU 41 1HD1 LEU 41 8.322 -5.611 1.917 291 HD12 LEU 41 2HD1 LEU 41 9.220 -4.889 0.582 292 HD13 LEU 41 3HD1 LEU 41 7.477 -4.647 0.705 293 HD21 LEU 41 3HD2 LEU 41 10.027 -2.767 3.539 294 HD22 LEU 41 1HD2 LEU 41 10.667 -4.023 2.480 295 HD23 LEU 41 2HD2 LEU 41 9.553 -4.449 3.779 296 H ILE 42 H ILE 42 7.246 0.354 2.430 297 HA ILE 42 HA ILE 42 8.042 2.473 0.567 298 HB ILE 42 HB ILE 42 6.586 2.617 3.208 299 HG12 ILE 42 1HG1 ILE 42 5.534 3.476 0.528 300 HG13 ILE 42 2HG1 ILE 42 5.451 1.787 1.018 301 HG21 ILE 42 1HG2 ILE 42 6.420 5.048 1.761 302 HG22 ILE 42 2HG2 ILE 42 7.138 4.760 3.345 303 HG23 ILE 42 3HG2 ILE 42 8.123 4.608 1.890 304 HD11 ILE 42 3HD1 ILE 42 4.300 2.675 3.132 305 HD12 ILE 42 1HD1 ILE 42 4.079 4.161 2.208 306 HD13 ILE 42 2HD1 ILE 42 3.387 2.647 1.624 307 H ARG 43 H ARG 43 10.000 3.329 0.708 308 HA ARG 43 HA ARG 43 11.323 3.444 3.327 309 HB2 ARG 43 1HB ARG 43 12.363 2.235 0.795 310 HB3 ARG 43 2HB ARG 43 13.488 3.010 1.902 311 HG2 ARG 43 1HG ARG 43 13.592 0.872 2.669 312 HG3 ARG 43 2HG ARG 43 12.274 1.483 3.670 313 HD2 ARG 43 1HD ARG 43 11.637 -0.656 2.791 314 HD3 ARG 43 2HD ARG 43 10.668 0.587 2.001 315 HE ARG 43 HE ARG 43 11.676 0.069 0.002 316 HH11 ARG 43 1HH1 ARG 43 13.407 -1.447 2.615 317 HH12 ARG 43 2HH1 ARG 43 14.392 -2.419 1.572 318 HH21 ARG 43 1HH2 ARG 43 12.966 -1.205 -1.381 319 HH22 ARG 43 2HH2 ARG 43 14.141 -2.280 -0.701 320 H VAL 44 H VAL 44 13.323 4.900 3.190 321 HA VAL 44 HA VAL 44 14.202 6.973 2.856 322 HB VAL 44 HB VAL 44 12.890 6.829 0.139 323 HG11 VAL 44 1HG1 VAL 44 14.572 8.792 1.461 324 HG12 VAL 44 2HG1 VAL 44 15.262 8.229 -0.063 325 HG13 VAL 44 3HG1 VAL 44 13.640 8.922 -0.031 326 HG21 VAL 44 3HG2 VAL 44 14.876 5.829 -0.694 327 HG22 VAL 44 1HG2 VAL 44 15.716 6.062 0.839 328 HG23 VAL 44 2HG2 VAL 44 14.399 4.895 0.723 329 H ILE 45 H ILE 45 11.902 6.950 4.309 330 HA ILE 45 HA ILE 45 9.979 8.823 3.285 331 HB ILE 45 HB ILE 45 10.340 7.863 6.125 332 HG12 ILE 45 1HG1 ILE 45 8.310 6.812 4.174 333 HG13 ILE 45 2HG1 ILE 45 9.930 6.127 4.238 334 HG21 ILE 45 1HG2 ILE 45 7.695 8.653 5.096 335 HG22 ILE 45 2HG2 ILE 45 8.428 8.925 6.676 336 HG23 ILE 45 3HG2 ILE 45 8.860 9.959 5.314 337 HD11 ILE 45 3HD1 ILE 45 8.717 4.735 5.618 338 HD12 ILE 45 1HD1 ILE 45 9.461 5.855 6.758 339 HD13 ILE 45 2HD1 ILE 45 7.771 6.060 6.295 340 H GLU 46 H GLU 46 11.339 10.617 2.772 341 HA GLU 46 HA GLU 46 13.127 11.965 4.293 342 HB2 GLU 46 1HB GLU 46 12.397 12.624 2.011 343 HB3 GLU 46 2HB GLU 46 10.925 13.291 2.704 344 HG2 GLU 46 1HG GLU 46 12.393 14.794 4.090 345 HG3 GLU 46 2HG GLU 46 13.744 14.246 3.099 346 H GLU 47 H GLU 47 13.038 13.748 5.754 347 HA GLU 47 HA GLU 47 10.948 13.454 7.723 348 HB2 GLU 47 1HB GLU 47 13.510 15.013 7.584 349 HB3 GLU 47 2HB GLU 47 12.336 15.335 8.852 350 HG2 GLU 47 1HG GLU 47 12.451 12.907 9.449 351 HG3 GLU 47 2HG GLU 47 13.795 12.763 8.318 352 H GLY 48 H GLY 48 9.735 15.257 8.594 353 HA2 GLY 48 1HA GLY 48 8.279 17.014 8.347 354 HA3 GLY 48 2HA GLY 48 9.579 17.800 7.463 355 H SER 49 H SER 49 8.230 14.788 6.360 356 HA SER 49 HA SER 49 7.173 16.190 4.010 357 HB2 SER 49 1HB SER 49 7.632 14.312 2.753 358 HB3 SER 49 2HB SER 49 8.879 14.162 3.991 359 HG SER 49 HG SER 49 7.714 12.601 4.989 360 HA PRO 50 HA PRO 50 2.981 15.338 4.988 361 HB2 PRO 50 1HB PRO 50 1.930 14.918 2.520 362 HB3 PRO 50 2HB PRO 50 2.422 16.515 3.096 363 HG2 PRO 50 1HG PRO 50 3.891 14.608 1.316 364 HG3 PRO 50 2HG PRO 50 3.711 16.365 1.166 365 HD2 PRO 50 1HD PRO 50 5.948 15.211 2.163 366 HD3 PRO 50 2HD PRO 50 5.363 16.795 2.714 367 H ALA 51 H ALA 51 5.005 12.976 3.673 368 HA ALA 51 HA ALA 51 3.005 10.891 3.487 369 HB1 ALA 51 3HB ALA 51 4.509 9.971 2.144 370 HB2 ALA 51 1HB ALA 51 5.639 11.275 2.512 371 HB3 ALA 51 2HB ALA 51 5.631 9.810 3.496 372 H GLU 52 H GLU 52 5.439 11.994 5.755 373 HA GLU 52 HA GLU 52 5.181 9.683 7.462 374 HB2 GLU 52 1HB GLU 52 7.318 10.849 7.332 375 HB3 GLU 52 2HB GLU 52 6.565 12.335 7.896 376 HG2 GLU 52 1HG GLU 52 7.766 11.321 9.702 377 HG3 GLU 52 2HG GLU 52 6.037 11.222 10.030 378 H LYS 53 H LYS 53 4.194 13.089 7.576 379 HA LYS 53 HA LYS 53 3.108 13.367 10.026 380 HB2 LYS 53 1HB LYS 53 1.601 14.982 9.139 381 HB3 LYS 53 2HB LYS 53 3.043 15.034 8.134 382 HG2 LYS 53 1HG LYS 53 1.974 13.919 6.360 383 HG3 LYS 53 2HG LYS 53 0.622 13.427 7.382 384 HD2 LYS 53 1HD LYS 53 -0.071 15.760 7.597 385 HD3 LYS 53 2HD LYS 53 1.295 16.264 6.599 386 HE2 LYS 53 1HE LYS 53 -0.698 16.196 5.246 387 HE3 LYS 53 2HE LYS 53 0.390 14.904 4.743 388 HZ1 LYS 53 3HZ LYS 53 -1.829 14.458 6.652 389 HZ2 LYS 53 1HZ LYS 53 -0.935 13.299 5.803 390 HZ3 LYS 53 2HZ LYS 53 -2.025 14.296 4.980 391 H ALA 54 H ALA 54 1.921 11.298 7.496 392 HA ALA 54 HA ALA 54 -0.602 10.779 8.815 393 HB1 ALA 54 3HB ALA 54 0.558 10.255 6.219 394 HB2 ALA 54 1HB ALA 54 -0.238 8.825 6.876 395 HB3 ALA 54 2HB ALA 54 -1.136 10.333 6.702 396 H GLY 55 H GLY 55 1.861 10.210 10.288 397 HA2 GLY 55 1HA GLY 55 2.734 8.581 11.649 398 HA3 GLY 55 2HA GLY 55 1.156 7.817 11.519 399 H LEU 56 H LEU 56 2.946 8.319 8.616 400 HA LEU 56 HA LEU 56 3.103 5.474 8.182 401 HB2 LEU 56 1HB LEU 56 2.579 7.348 6.474 402 HB3 LEU 56 2HB LEU 56 4.330 7.539 6.395 403 HG LEU 56 HG LEU 56 4.465 5.116 5.743 404 HD11 LEU 56 1HD1 LEU 56 2.565 4.009 6.278 405 HD12 LEU 56 2HD1 LEU 56 2.123 4.480 4.637 406 HD13 LEU 56 3HD1 LEU 56 1.535 5.416 6.011 407 HD21 LEU 56 3HD2 LEU 56 2.774 6.400 3.688 408 HD22 LEU 56 1HD2 LEU 56 4.379 5.680 3.555 409 HD23 LEU 56 2HD2 LEU 56 4.193 7.303 4.220 410 H LEU 57 H LEU 57 4.714 4.290 8.952 411 HA LEU 57 HA LEU 57 7.353 5.535 9.303 412 HB2 LEU 57 1HB LEU 57 5.917 3.318 10.684 413 HB3 LEU 57 2HB LEU 57 7.679 3.315 10.664 414 HG LEU 57 HG LEU 57 6.923 4.277 12.726 415 HD11 LEU 57 1HD1 LEU 57 8.826 5.334 11.285 416 HD12 LEU 57 2HD1 LEU 57 8.262 6.144 12.746 417 HD13 LEU 57 3HD1 LEU 57 7.708 6.693 11.165 418 HD21 LEU 57 3HD2 LEU 57 4.983 5.588 10.981 419 HD22 LEU 57 1HD2 LEU 57 5.704 6.665 12.177 420 HD23 LEU 57 2HD2 LEU 57 4.884 5.194 12.698 421 H ASP 58 H ASP 58 9.180 3.810 9.148 422 HA ASP 58 HA ASP 58 9.154 2.840 6.451 423 HB2 ASP 58 1HB ASP 58 11.212 3.747 7.269 424 HB3 ASP 58 2HB ASP 58 11.200 2.674 8.666 425 H GLY 59 H GLY 59 8.604 0.882 5.749 426 HA2 GLY 59 1HA GLY 59 8.847 -1.538 5.986 427 HA3 GLY 59 2HA GLY 59 8.544 -1.330 7.705 428 H ASP 60 H ASP 60 6.606 0.646 5.745 429 HA ASP 60 HA ASP 60 4.274 -0.974 6.392 430 HB2 ASP 60 1HB ASP 60 4.649 1.844 5.401 431 HB3 ASP 60 2HB ASP 60 3.065 1.073 5.397 432 H ARG 61 H ARG 61 3.504 -2.401 4.998 433 HA ARG 61 HA ARG 61 4.215 -2.189 2.174 434 HB2 ARG 61 1HB ARG 61 3.166 -4.398 3.913 435 HB3 ARG 61 2HB ARG 61 3.027 -4.507 2.163 436 HG2 ARG 61 1HG ARG 61 4.993 -5.659 2.723 437 HG3 ARG 61 2HG ARG 61 5.522 -4.106 2.073 438 HD2 ARG 61 1HD ARG 61 6.180 -3.317 4.139 439 HD3 ARG 61 2HD ARG 61 5.103 -4.405 5.013 440 HE ARG 61 HE ARG 61 7.796 -4.897 4.360 441 HH11 ARG 61 1HH1 ARG 61 4.701 -6.489 4.444 442 HH12 ARG 61 2HH1 ARG 61 5.373 -8.064 4.706 443 HH21 ARG 61 1HH2 ARG 61 8.692 -6.966 4.706 444 HH22 ARG 61 2HH2 ARG 61 7.643 -8.335 4.856 445 H VAL 62 H VAL 62 2.845 -1.450 0.697 446 HA VAL 62 HA VAL 62 0.133 -0.783 1.450 447 HB VAL 62 HB VAL 62 1.172 0.888 0.160 448 HG11 VAL 62 1HG1 VAL 62 1.851 -0.065 -2.316 449 HG12 VAL 62 2HG1 VAL 62 2.978 0.239 -0.993 450 HG13 VAL 62 3HG1 VAL 62 2.341 -1.385 -1.254 451 HG21 VAL 62 3HG2 VAL 62 -1.179 -0.140 -0.603 452 HG22 VAL 62 1HG2 VAL 62 -0.441 1.255 -1.390 453 HG23 VAL 62 2HG2 VAL 62 -0.277 -0.350 -2.104 454 H LEU 63 H LEU 63 -1.635 -1.929 1.001 455 HA LEU 63 HA LEU 63 -1.354 -4.381 -0.550 456 HB2 LEU 63 1HB LEU 63 -3.689 -3.370 1.067 457 HB3 LEU 63 2HB LEU 63 -3.532 -4.975 0.355 458 HG LEU 63 HG LEU 63 -1.506 -4.045 2.345 459 HD11 LEU 63 1HD1 LEU 63 -4.325 -4.879 2.912 460 HD12 LEU 63 2HD1 LEU 63 -3.392 -3.556 3.610 461 HD13 LEU 63 3HD1 LEU 63 -3.026 -5.223 4.055 462 HD21 LEU 63 3HD2 LEU 63 -0.945 -6.093 1.368 463 HD22 LEU 63 1HD2 LEU 63 -2.613 -6.667 1.393 464 HD23 LEU 63 2HD2 LEU 63 -1.702 -6.538 2.898 465 H ARG 64 H ARG 64 -3.548 -1.577 -0.409 466 HA ARG 64 HA ARG 64 -4.055 -1.954 -3.284 467 HB2 ARG 64 1HB ARG 64 -6.104 -1.101 -1.230 468 HB3 ARG 64 2HB ARG 64 -6.379 -1.286 -2.957 469 HG2 ARG 64 1HG ARG 64 -6.090 -3.648 -2.827 470 HG3 ARG 64 2HG ARG 64 -5.540 -3.541 -1.153 471 HD2 ARG 64 1HD ARG 64 -7.659 -3.119 -0.344 472 HD3 ARG 64 2HD ARG 64 -8.232 -2.483 -1.885 473 HE ARG 64 HE ARG 64 -8.338 -5.190 -1.010 474 HH11 ARG 64 1HH1 ARG 64 -7.975 -3.180 -3.829 475 HH12 ARG 64 2HH1 ARG 64 -8.609 -4.369 -4.918 476 HH21 ARG 64 1HH2 ARG 64 -9.174 -6.764 -2.434 477 HH22 ARG 64 2HH2 ARG 64 -9.292 -6.406 -4.124 478 H ILE 65 H ILE 65 -3.956 -0.157 -4.521 479 HA ILE 65 HA ILE 65 -3.298 2.357 -3.148 480 HB ILE 65 HB ILE 65 -1.749 1.223 -4.921 481 HG12 ILE 65 1HG1 ILE 65 -1.639 3.565 -3.841 482 HG13 ILE 65 2HG1 ILE 65 -0.755 3.305 -5.341 483 HG21 ILE 65 1HG2 ILE 65 -3.613 2.749 -6.731 484 HG22 ILE 65 2HG2 ILE 65 -2.158 1.872 -7.200 485 HG23 ILE 65 3HG2 ILE 65 -3.562 0.992 -6.597 486 HD11 ILE 65 3HD1 ILE 65 -2.178 5.446 -5.025 487 HD12 ILE 65 1HD1 ILE 65 -2.203 4.599 -6.571 488 HD13 ILE 65 2HD1 ILE 65 -3.530 4.388 -5.428 489 H ASN 66 H ASN 66 -4.697 3.983 -3.184 490 HA ASN 66 HA ASN 66 -6.627 5.140 -3.580 491 HB2 ASN 66 1HB ASN 66 -5.330 4.723 -6.227 492 HB3 ASN 66 2HB ASN 66 -6.963 5.382 -6.220 493 HD21 ASN 66 1HD2 ASN 66 -4.150 5.834 -4.108 494 HD22 ASN 66 2HD2 ASN 66 -4.103 7.555 -4.256 495 H GLY 67 H GLY 67 -6.832 2.170 -3.377 496 HA2 GLY 67 1HA GLY 67 -8.769 0.862 -3.239 497 HA3 GLY 67 2HA GLY 67 -9.579 1.988 -4.318 498 H VAL 68 H VAL 68 -6.523 0.250 -4.781 499 HA VAL 68 HA VAL 68 -7.762 -1.458 -6.794 500 HB VAL 68 HB VAL 68 -5.459 0.389 -7.441 501 HG11 VAL 68 1HG1 VAL 68 -5.907 -2.159 -8.420 502 HG12 VAL 68 2HG1 VAL 68 -6.611 -1.103 -9.646 503 HG13 VAL 68 3HG1 VAL 68 -4.923 -0.905 -9.175 504 HG21 VAL 68 3HG2 VAL 68 -7.601 1.528 -7.499 505 HG22 VAL 68 1HG2 VAL 68 -6.991 1.299 -9.138 506 HG23 VAL 68 2HG2 VAL 68 -8.274 0.258 -8.521 507 H PHE 69 H PHE 69 -7.132 -3.434 -6.256 508 HA PHE 69 HA PHE 69 -5.079 -4.118 -4.538 509 HB2 PHE 69 1HB PHE 69 -7.019 -5.556 -5.452 510 HB3 PHE 69 2HB PHE 69 -5.928 -5.935 -6.781 511 HD1 PHE 69 2HD PHE 69 -5.419 -5.601 -3.101 512 HD2 PHE 69 1HD PHE 69 -5.148 -8.079 -6.551 513 HE1 PHE 69 2HE PHE 69 -4.388 -7.374 -1.742 514 HE2 PHE 69 1HE PHE 69 -4.117 -9.856 -5.198 515 HZ PHE 69 HZ PHE 69 -3.734 -9.505 -2.790 516 H VAL 70 H VAL 70 -2.998 -3.629 -4.769 517 HA VAL 70 HA VAL 70 -1.734 -4.120 -7.387 518 HB VAL 70 HB VAL 70 -0.103 -2.340 -6.829 519 HG11 VAL 70 1HG1 VAL 70 -1.377 -0.921 -7.977 520 HG12 VAL 70 2HG1 VAL 70 -2.698 -2.076 -7.787 521 HG13 VAL 70 3HG1 VAL 70 -2.512 -0.751 -6.638 522 HG21 VAL 70 3HG2 VAL 70 -1.083 -0.700 -5.015 523 HG22 VAL 70 1HG2 VAL 70 -1.787 -2.187 -4.379 524 HG23 VAL 70 2HG2 VAL 70 -0.038 -2.045 -4.557 525 H ASP 71 H ASP 71 -1.985 -6.080 -5.375 526 HA ASP 71 HA ASP 71 0.426 -6.225 -3.833 527 HB2 ASP 71 1HB ASP 71 -1.395 -7.365 -2.880 528 HB3 ASP 71 2HB ASP 71 -1.820 -8.143 -4.402 529 H LYS 72 H LYS 72 -0.763 -7.796 -6.782 530 HA LYS 72 HA LYS 72 1.868 -9.007 -7.201 531 HB2 LYS 72 1HB LYS 72 -0.837 -9.445 -8.444 532 HB3 LYS 72 2HB LYS 72 0.625 -10.082 -9.186 533 HG2 LYS 72 1HG LYS 72 -0.110 -10.668 -6.336 534 HG3 LYS 72 2HG LYS 72 -0.683 -11.650 -7.686 535 HD2 LYS 72 1HD LYS 72 2.229 -11.068 -7.176 536 HD3 LYS 72 2HD LYS 72 1.397 -12.489 -6.540 537 HE2 LYS 72 1HE LYS 72 0.783 -13.095 -8.872 538 HE3 LYS 72 2HE LYS 72 1.767 -11.746 -9.439 539 HZ1 LYS 72 3HZ LYS 72 2.649 -14.274 -9.042 540 HZ2 LYS 72 1HZ LYS 72 3.157 -13.492 -7.631 541 HZ3 LYS 72 2HZ LYS 72 3.634 -12.901 -9.142 542 H GLU 73 H GLU 73 -0.146 -6.444 -8.330 543 HA GLU 73 HA GLU 73 0.631 -5.998 -10.906 544 HB2 GLU 73 1HB GLU 73 0.137 -4.052 -8.663 545 HB3 GLU 73 2HB GLU 73 0.486 -3.509 -10.298 546 HG2 GLU 73 1HG GLU 73 -1.843 -5.189 -9.405 547 HG3 GLU 73 2HG GLU 73 -1.883 -3.516 -9.958 548 H GLU 74 H GLU 74 2.189 -4.374 -11.772 549 HA GLU 74 HA GLU 74 4.812 -4.832 -10.561 550 HB2 GLU 74 1HB GLU 74 4.560 -5.426 -12.918 551 HB3 GLU 74 2HB GLU 74 4.053 -3.785 -13.294 552 HG2 GLU 74 1HG GLU 74 6.193 -2.915 -12.909 553 HG3 GLU 74 2HG GLU 74 6.727 -4.373 -12.076 554 H HIS 75 H HIS 75 6.346 -3.109 -10.358 555 HA HIS 75 HA HIS 75 5.472 -0.885 -9.002 556 HB2 HIS 75 1HB HIS 75 7.781 -1.543 -8.887 557 HB3 HIS 75 2HB HIS 75 8.001 -1.267 -10.612 558 HD1 HIS 75 1HD HIS 75 6.589 1.009 -7.904 559 HD2 HIS 75 2HD HIS 75 9.574 0.920 -10.792 560 HE1 HIS 75 1HE HIS 75 7.680 3.273 -7.814 561 HE2 HIS 75 2HE HIS 75 9.426 3.225 -9.628 562 H ALA 76 H ALA 76 6.405 -1.043 -12.435 563 HA ALA 76 HA ALA 76 5.858 1.632 -13.061 564 HB1 ALA 76 3HB ALA 76 5.710 -0.778 -14.869 565 HB2 ALA 76 1HB ALA 76 5.815 0.904 -15.390 566 HB3 ALA 76 2HB ALA 76 7.158 0.165 -14.517 567 H GLN 77 H GLN 77 3.758 -1.096 -12.634 568 HA GLN 77 HA GLN 77 1.510 0.083 -13.988 569 HB2 GLN 77 1HB GLN 77 1.725 -2.306 -12.150 570 HB3 GLN 77 2HB GLN 77 0.249 -1.825 -12.976 571 HG2 GLN 77 1HG GLN 77 2.786 -2.430 -14.456 572 HG3 GLN 77 2HG GLN 77 1.616 -3.677 -14.031 573 HE21 GLN 77 1HE2 GLN 77 -0.577 -3.400 -14.829 574 HE22 GLN 77 2HE2 GLN 77 -0.825 -2.615 -16.348 575 H VAL 78 H VAL 78 2.537 -0.353 -10.630 576 HA VAL 78 HA VAL 78 0.195 0.821 -9.500 577 HB VAL 78 HB VAL 78 2.908 0.546 -8.204 578 HG11 VAL 78 1HG1 VAL 78 0.864 1.941 -7.246 579 HG12 VAL 78 2HG1 VAL 78 0.349 0.339 -6.715 580 HG13 VAL 78 3HG1 VAL 78 1.911 0.979 -6.203 581 HG21 VAL 78 3HG2 VAL 78 1.895 -1.576 -7.256 582 HG22 VAL 78 1HG2 VAL 78 0.666 -1.435 -8.514 583 HG23 VAL 78 2HG2 VAL 78 2.363 -1.626 -8.956 584 H VAL 79 H VAL 79 3.548 1.997 -9.818 585 HA VAL 79 HA VAL 79 3.446 4.470 -8.785 586 HB VAL 79 HB VAL 79 5.410 3.541 -9.975 587 HG11 VAL 79 1HG1 VAL 79 4.220 4.591 -12.522 588 HG12 VAL 79 2HG1 VAL 79 5.622 3.542 -12.305 589 HG13 VAL 79 3HG1 VAL 79 3.999 2.915 -12.018 590 HG21 VAL 79 3HG2 VAL 79 4.520 6.329 -10.685 591 HG22 VAL 79 1HG2 VAL 79 5.538 5.825 -9.335 592 HG23 VAL 79 2HG2 VAL 79 6.150 5.726 -10.987 593 H GLU 80 H GLU 80 1.998 3.507 -11.853 594 HA GLU 80 HA GLU 80 1.267 6.072 -12.747 595 HB2 GLU 80 1HB GLU 80 1.199 4.337 -14.344 596 HB3 GLU 80 2HB GLU 80 0.202 3.317 -13.316 597 HG2 GLU 80 1HG GLU 80 -1.619 5.042 -13.580 598 HG3 GLU 80 2HG GLU 80 -0.618 5.774 -14.833 599 H LEU 81 H LEU 81 -0.527 3.652 -10.868 600 HA LEU 81 HA LEU 81 -2.967 4.928 -10.668 601 HB2 LEU 81 1HB LEU 81 -1.461 3.059 -8.903 602 HB3 LEU 81 2HB LEU 81 -2.933 3.808 -8.285 603 HG LEU 81 HG LEU 81 -3.241 1.522 -9.236 604 HD11 LEU 81 1HD1 LEU 81 -5.228 2.145 -10.610 605 HD12 LEU 81 2HD1 LEU 81 -4.709 3.827 -10.501 606 HD13 LEU 81 3HD1 LEU 81 -5.148 2.944 -9.039 607 HD21 LEU 81 3HD2 LEU 81 -1.683 1.582 -11.061 608 HD22 LEU 81 1HD2 LEU 81 -2.536 2.935 -11.804 609 HD23 LEU 81 2HD2 LEU 81 -3.305 1.350 -11.715 610 H VAL 82 H VAL 82 -0.061 5.397 -8.703 611 HA VAL 82 HA VAL 82 -1.249 7.271 -6.918 612 HB VAL 82 HB VAL 82 1.647 6.712 -7.562 613 HG11 VAL 82 1HG1 VAL 82 1.809 7.876 -5.182 614 HG12 VAL 82 2HG1 VAL 82 1.892 8.799 -6.684 615 HG13 VAL 82 3HG1 VAL 82 0.379 8.717 -5.780 616 HG21 VAL 82 3HG2 VAL 82 1.681 5.431 -5.563 617 HG22 VAL 82 1HG2 VAL 82 0.079 6.001 -5.093 618 HG23 VAL 82 2HG2 VAL 82 0.260 4.913 -6.470 619 H ARG 83 H ARG 83 0.247 7.499 -10.046 620 HA ARG 83 HA ARG 83 0.850 10.269 -9.993 621 HB2 ARG 83 1HB ARG 83 0.465 8.266 -12.204 622 HB3 ARG 83 2HB ARG 83 0.741 9.967 -12.554 623 HG2 ARG 83 1HG ARG 83 2.871 9.893 -11.413 624 HG3 ARG 83 2HG ARG 83 2.587 8.215 -10.946 625 HD2 ARG 83 1HD ARG 83 2.347 7.788 -13.479 626 HD3 ARG 83 2HD ARG 83 3.143 9.351 -13.663 627 HE ARG 83 HE ARG 83 4.343 6.879 -12.799 628 HH11 ARG 83 1HH1 ARG 83 4.587 10.351 -12.812 629 HH12 ARG 83 2HH1 ARG 83 6.301 10.362 -12.562 630 HH21 ARG 83 1HH2 ARG 83 6.600 6.880 -12.470 631 HH22 ARG 83 2HH2 ARG 83 7.446 8.387 -12.369 632 H LYS 84 H LYS 84 -1.894 8.449 -11.344 633 HA LYS 84 HA LYS 84 -3.319 10.746 -12.203 634 HB2 LYS 84 1HB LYS 84 -5.239 9.194 -12.421 635 HB3 LYS 84 2HB LYS 84 -3.778 8.586 -13.189 636 HG2 LYS 84 1HG LYS 84 -3.374 7.229 -11.116 637 HG3 LYS 84 2HG LYS 84 -4.988 7.705 -10.582 638 HD2 LYS 84 1HD LYS 84 -4.330 6.226 -13.130 639 HD3 LYS 84 2HD LYS 84 -5.020 5.515 -11.669 640 HE2 LYS 84 1HE LYS 84 -6.905 5.855 -12.946 641 HE3 LYS 84 2HE LYS 84 -6.857 7.338 -11.994 642 HZ1 LYS 84 3HZ LYS 84 -5.417 8.086 -14.081 643 HZ2 LYS 84 1HZ LYS 84 -7.100 8.255 -14.025 644 HZ3 LYS 84 2HZ LYS 84 -6.408 6.946 -14.843 645 H SER 85 H SER 85 -3.259 8.903 -9.217 646 HA SER 85 HA SER 85 -5.470 9.509 -7.861 647 HB2 SER 85 1HB SER 85 -2.720 10.016 -6.704 648 HB3 SER 85 2HB SER 85 -4.183 9.611 -5.807 649 HG SER 85 HG SER 85 -3.485 7.640 -6.053 650 H GLY 86 H GLY 86 -2.888 11.833 -8.543 651 HA2 GLY 86 1HA GLY 86 -3.315 14.130 -8.976 652 HA3 GLY 86 2HA GLY 86 -4.810 13.995 -8.062 653 H ASN 87 H ASN 87 -4.686 15.333 -6.386 654 HA ASN 87 HA ASN 87 -2.148 15.831 -5.073 655 HB2 ASN 87 1HB ASN 87 -4.867 16.937 -4.351 656 HB3 ASN 87 2HB ASN 87 -3.296 17.575 -3.875 657 HD21 ASN 87 1HD2 ASN 87 -1.983 18.565 -5.467 658 HD22 ASN 87 2HD2 ASN 87 -2.683 19.235 -6.898 659 H SER 88 H SER 88 -5.253 14.319 -4.354 660 HA SER 88 HA SER 88 -4.248 13.497 -1.723 661 HB2 SER 88 1HB SER 88 -6.509 13.060 -1.106 662 HB3 SER 88 2HB SER 88 -6.527 14.596 -1.973 663 HG SER 88 HG SER 88 -7.839 12.341 -2.547 664 H VAL 89 H VAL 89 -3.466 11.523 -1.450 665 HA VAL 89 HA VAL 89 -4.320 9.397 -3.307 666 HB VAL 89 HB VAL 89 -1.581 9.611 -2.056 667 HG11 VAL 89 1HG1 VAL 89 -2.717 7.375 -2.875 668 HG12 VAL 89 2HG1 VAL 89 -2.206 7.969 -4.456 669 HG13 VAL 89 3HG1 VAL 89 -1.013 7.706 -3.184 670 HG21 VAL 89 3HG2 VAL 89 -0.899 10.106 -4.470 671 HG22 VAL 89 1HG2 VAL 89 -2.594 10.514 -4.734 672 HG23 VAL 89 2HG2 VAL 89 -1.644 11.415 -3.553 673 H THR 90 H THR 90 -4.919 7.487 -2.437 674 HA THR 90 HA THR 90 -4.788 7.260 0.497 675 HB THR 90 HB THR 90 -6.752 5.904 -1.359 676 HG1 THR 90 1HG THR 90 -6.784 8.371 -0.034 677 HG21 THR 90 3HG2 THR 90 -7.906 5.904 1.076 678 HG22 THR 90 1HG2 THR 90 -6.210 5.788 1.543 679 HG23 THR 90 2HG2 THR 90 -6.914 4.577 0.471 680 H LEU 91 H LEU 91 -3.662 5.640 1.362 681 HA LEU 91 HA LEU 91 -3.056 3.290 -0.296 682 HB2 LEU 91 1HB LEU 91 -1.041 4.485 1.577 683 HB3 LEU 91 2HB LEU 91 -0.788 3.287 0.309 684 HG LEU 91 HG LEU 91 -1.619 6.089 -0.364 685 HD11 LEU 91 1HD1 LEU 91 1.035 5.125 0.550 686 HD12 LEU 91 2HD1 LEU 91 0.271 6.702 0.747 687 HD13 LEU 91 3HD1 LEU 91 0.982 6.254 -0.804 688 HD21 LEU 91 3HD2 LEU 91 -0.121 5.391 -2.376 689 HD22 LEU 91 1HD2 LEU 91 -1.770 4.777 -2.255 690 HD23 LEU 91 2HD2 LEU 91 -0.411 3.755 -1.785 691 H LEU 92 H LEU 92 -3.286 1.375 0.705 692 HA LEU 92 HA LEU 92 -4.057 1.423 3.532 693 HB2 LEU 92 1HB LEU 92 -4.588 -0.438 1.256 694 HB3 LEU 92 2HB LEU 92 -4.728 -1.017 2.914 695 HG LEU 92 HG LEU 92 -6.300 1.265 1.718 696 HD11 LEU 92 1HD1 LEU 92 -7.866 -0.188 1.096 697 HD12 LEU 92 2HD1 LEU 92 -7.769 -1.067 2.622 698 HD13 LEU 92 3HD1 LEU 92 -6.649 -1.446 1.313 699 HD21 LEU 92 3HD2 LEU 92 -6.545 1.847 3.863 700 HD22 LEU 92 1HD2 LEU 92 -5.882 0.321 4.449 701 HD23 LEU 92 2HD2 LEU 92 -7.582 0.425 3.989 702 H VAL 93 H VAL 93 -2.407 1.096 4.874 703 HA VAL 93 HA VAL 93 -0.330 -0.848 4.124 704 HB VAL 93 HB VAL 93 1.054 0.199 5.879 705 HG11 VAL 93 1HG1 VAL 93 1.616 1.107 3.859 706 HG12 VAL 93 2HG1 VAL 93 -0.006 1.739 3.566 707 HG13 VAL 93 3HG1 VAL 93 1.071 2.560 4.697 708 HG21 VAL 93 3HG2 VAL 93 -0.153 2.645 6.345 709 HG22 VAL 93 1HG2 VAL 93 -1.468 1.483 6.517 710 HG23 VAL 93 2HG2 VAL 93 -0.010 1.314 7.493 711 H LEU 94 H LEU 94 -0.197 -2.724 5.168 712 HA LEU 94 HA LEU 94 -1.726 -3.036 7.666 713 HB2 LEU 94 1HB LEU 94 -2.663 -4.381 5.920 714 HB3 LEU 94 2HB LEU 94 -1.078 -5.025 5.500 715 HG LEU 94 HG LEU 94 -1.090 -6.029 7.871 716 HD11 LEU 94 1HD1 LEU 94 -3.779 -6.523 8.149 717 HD12 LEU 94 2HD1 LEU 94 -3.728 -4.809 7.737 718 HD13 LEU 94 3HD1 LEU 94 -2.823 -5.409 9.127 719 HD21 LEU 94 3HD2 LEU 94 -3.191 -7.430 6.413 720 HD22 LEU 94 1HD2 LEU 94 -1.570 -7.962 6.860 721 HD23 LEU 94 2HD2 LEU 94 -1.810 -6.993 5.406 722 H ASP 95 H ASP 95 -0.849 -4.414 9.300 723 HA ASP 95 HA ASP 95 1.954 -4.059 9.674 724 HB2 ASP 95 1HB ASP 95 1.631 -5.198 11.794 725 HB3 ASP 95 2HB ASP 95 0.318 -4.052 11.539 726 H GLY 96 H GLY 96 3.619 -5.492 9.513 727 HA2 GLY 96 1HA GLY 96 3.479 -7.571 7.662 728 HA3 GLY 96 2HA GLY 96 4.781 -7.345 8.820 729 H ASP 97 H ASP 97 3.416 -7.723 11.206 730 HA ASP 97 HA ASP 97 3.593 -10.377 11.704 731 HB2 ASP 97 1HB ASP 97 1.786 -8.301 12.921 732 HB3 ASP 97 2HB ASP 97 1.798 -9.960 13.513 733 H SER 98 H SER 98 0.644 -8.700 10.649 734 HA SER 98 HA SER 98 -0.821 -11.181 10.441 735 HB2 SER 98 1HB SER 98 -1.455 -8.288 10.006 736 HB3 SER 98 2HB SER 98 -2.509 -9.510 9.294 737 HG SER 98 HG SER 98 -2.915 -8.690 11.564 738 H TYR 99 H TYR 99 0.713 -8.871 8.268 739 HA TYR 99 HA TYR 99 -0.246 -9.763 5.828 740 HB2 TYR 99 1HB TYR 99 1.251 -7.760 6.285 741 HB3 TYR 99 2HB TYR 99 2.605 -8.884 6.286 742 HD1 TYR 99 2HD TYR 99 2.503 -10.551 4.127 743 HD2 TYR 99 1HD TYR 99 0.927 -6.604 4.325 744 HE1 TYR 99 2HE TYR 99 2.658 -10.373 1.679 745 HE2 TYR 99 1HE TYR 99 1.076 -6.415 1.877 746 HH TYR 99 HH TYR 99 2.883 -8.320 -0.007 747 H GLU 100 H GLU 100 2.817 -10.750 7.376 748 HA GLU 100 HA GLU 100 3.469 -12.769 5.570 749 HB2 GLU 100 1HB GLU 100 4.125 -12.610 8.517 750 HB3 GLU 100 2HB GLU 100 4.925 -13.656 7.353 751 HG2 GLU 100 1HG GLU 100 5.847 -11.791 6.194 752 HG3 GLU 100 2HG GLU 100 4.879 -10.659 7.136 753 H LYS 101 H LYS 101 1.765 -13.015 8.684 754 HA LYS 101 HA LYS 101 1.352 -15.734 8.787 755 HB2 LYS 101 1HB LYS 101 0.640 -13.767 10.396 756 HB3 LYS 101 2HB LYS 101 -0.896 -13.917 9.552 757 HG2 LYS 101 1HG LYS 101 -0.691 -16.431 10.124 758 HG3 LYS 101 2HG LYS 101 0.484 -15.887 11.323 759 HD2 LYS 101 1HD LYS 101 -1.462 -15.852 12.553 760 HD3 LYS 101 2HD LYS 101 -1.399 -14.189 11.965 761 HE2 LYS 101 1HE LYS 101 -2.859 -14.907 10.059 762 HE3 LYS 101 2HE LYS 101 -3.037 -16.466 10.862 763 HZ1 LYS 101 3HZ LYS 101 -4.880 -15.267 11.553 764 HZ2 LYS 101 1HZ LYS 101 -4.017 -13.823 11.734 765 HZ3 LYS 101 2HZ LYS 101 -3.809 -15.077 12.848 766 H ALA 102 H ALA 102 -0.719 -13.308 7.210 767 HA ALA 102 HA ALA 102 -2.741 -14.943 6.295 768 HB1 ALA 102 3HB ALA 102 -3.258 -12.795 5.823 769 HB2 ALA 102 1HB ALA 102 -1.593 -12.365 5.431 770 HB3 ALA 102 2HB ALA 102 -2.587 -13.216 4.248 771 H VAL 103 H VAL 103 0.297 -14.137 4.617 772 HA VAL 103 HA VAL 103 -0.040 -15.513 2.272 773 HB VAL 103 HB VAL 103 2.495 -15.301 3.901 774 HG11 VAL 103 1HG1 VAL 103 2.427 -17.095 2.098 775 HG12 VAL 103 2HG1 VAL 103 2.317 -15.770 0.938 776 HG13 VAL 103 3HG1 VAL 103 3.725 -15.908 1.992 777 HG21 VAL 103 3HG2 VAL 103 2.916 -13.501 2.085 778 HG22 VAL 103 1HG2 VAL 103 1.164 -13.536 1.884 779 HG23 VAL 103 2HG2 VAL 103 1.865 -13.115 3.447 780 H LYS 104 H LYS 104 1.337 -16.833 5.282 781 HA LYS 104 HA LYS 104 1.745 -19.441 4.406 782 HB2 LYS 104 1HB LYS 104 0.919 -18.626 7.196 783 HB3 LYS 104 2HB LYS 104 1.806 -20.074 6.738 784 HG2 LYS 104 1HG LYS 104 2.977 -17.438 6.034 785 HG3 LYS 104 2HG LYS 104 3.017 -17.950 7.723 786 HD2 LYS 104 1HD LYS 104 4.982 -18.866 7.009 787 HD3 LYS 104 2HD LYS 104 3.892 -20.203 6.635 788 HE2 LYS 104 1HE LYS 104 3.671 -18.904 4.342 789 HE3 LYS 104 2HE LYS 104 5.252 -18.283 4.814 790 HZ1 LYS 104 3HZ LYS 104 5.973 -20.620 5.092 791 HZ2 LYS 104 1HZ LYS 104 5.558 -20.232 3.499 792 HZ3 LYS 104 2HZ LYS 104 4.490 -21.129 4.456 793 H ASN 105 H ASN 105 -1.130 -17.977 5.874 794 HA ASN 105 HA ASN 105 -2.623 -20.454 5.581 795 HB2 ASN 105 1HB ASN 105 -3.490 -17.748 6.623 796 HB3 ASN 105 2HB ASN 105 -4.454 -19.221 6.679 797 HD21 ASN 105 1HD2 ASN 105 -2.747 -17.273 8.547 798 HD22 ASN 105 2HD2 ASN 105 -2.115 -18.391 9.704 799 H GLN 106 H GLN 106 -1.635 -18.640 3.310 800 HA GLN 106 HA GLN 106 -2.467 -17.615 1.410 801 HB2 GLN 106 1HB GLN 106 -4.093 -20.163 1.467 802 HB3 GLN 106 2HB GLN 106 -3.692 -19.215 0.040 803 HG2 GLN 106 1HG GLN 106 -1.474 -19.871 0.065 804 HG3 GLN 106 2HG GLN 106 -1.526 -20.334 1.766 805 HE21 GLN 106 1HE2 GLN 106 -0.396 -22.133 0.307 806 HE22 GLN 106 2HE2 GLN 106 -1.432 -23.467 -0.055 807 H VAL 107 H VAL 107 -3.686 -16.303 3.381 808 HA VAL 107 HA VAL 107 -6.563 -16.453 3.139 809 HB VAL 107 HB VAL 107 -4.751 -14.560 4.633 810 HG11 VAL 107 1HG1 VAL 107 -6.952 -13.847 5.728 811 HG12 VAL 107 2HG1 VAL 107 -6.594 -13.209 4.122 812 HG13 VAL 107 3HG1 VAL 107 -7.735 -14.541 4.308 813 HG21 VAL 107 3HG2 VAL 107 -4.976 -15.932 6.383 814 HG22 VAL 107 1HG2 VAL 107 -6.710 -16.117 6.120 815 HG23 VAL 107 2HG2 VAL 107 -5.570 -17.123 5.226 816 H ASP 108 H ASP 108 -7.911 -14.881 2.251 817 HA ASP 108 HA ASP 108 -6.923 -13.608 -0.095 818 HB2 ASP 108 1HB ASP 108 -9.593 -13.298 1.295 819 HB3 ASP 108 2HB ASP 108 -9.218 -12.746 -0.335 820 H LEU 109 H LEU 109 -5.573 -11.928 0.107 821 HA LEU 109 HA LEU 109 -5.747 -10.036 2.245 822 HB2 LEU 109 1HB LEU 109 -4.141 -10.060 -0.303 823 HB3 LEU 109 2HB LEU 109 -3.987 -8.825 0.945 824 HG LEU 109 HG LEU 109 -3.454 -11.758 1.399 825 HD11 LEU 109 1HD1 LEU 109 -1.737 -9.573 0.369 826 HD12 LEU 109 2HD1 LEU 109 -1.698 -11.303 0.032 827 HD13 LEU 109 3HD1 LEU 109 -1.033 -10.684 1.544 828 HD21 LEU 109 3HD2 LEU 109 -2.386 -10.993 3.440 829 HD22 LEU 109 1HD2 LEU 109 -4.067 -10.463 3.393 830 HD23 LEU 109 2HD2 LEU 109 -2.772 -9.319 3.039 831 H LYS 110 H LYS 110 -6.843 -10.168 -1.075 832 HA LYS 110 HA LYS 110 -7.359 -7.514 -1.617 833 HB2 LYS 110 1HB LYS 110 -8.606 -10.085 -2.460 834 HB3 LYS 110 2HB LYS 110 -9.459 -8.596 -2.845 835 HG2 LYS 110 1HG LYS 110 -7.141 -7.849 -3.783 836 HG3 LYS 110 2HG LYS 110 -6.830 -9.586 -3.838 837 HD2 LYS 110 1HD LYS 110 -9.354 -8.466 -4.993 838 HD3 LYS 110 2HD LYS 110 -7.849 -8.401 -5.914 839 HE2 LYS 110 1HE LYS 110 -8.679 -10.410 -6.632 840 HE3 LYS 110 2HE LYS 110 -7.724 -10.944 -5.250 841 HZ1 LYS 110 3HZ LYS 110 -10.472 -11.261 -5.686 842 HZ2 LYS 110 1HZ LYS 110 -10.274 -10.267 -4.331 843 HZ3 LYS 110 2HZ LYS 110 -9.550 -11.795 -4.371 844 H GLU 111 H GLU 111 -9.203 -9.763 0.360 845 HA GLU 111 HA GLU 111 -11.538 -8.257 0.675 846 HB2 GLU 111 1HB GLU 111 -10.230 -10.131 2.655 847 HB3 GLU 111 2HB GLU 111 -11.895 -9.571 2.728 848 HG2 GLU 111 1HG GLU 111 -12.039 -10.598 0.333 849 HG3 GLU 111 2HG GLU 111 -10.631 -11.516 0.863 850 H LEU 112 H LEU 112 -8.499 -8.213 2.484 851 HA LEU 112 HA LEU 112 -8.949 -6.734 4.656 852 HB2 LEU 112 1HB LEU 112 -6.786 -6.052 2.672 853 HB3 LEU 112 2HB LEU 112 -6.779 -5.690 4.396 854 HG LEU 112 HG LEU 112 -6.821 -8.503 3.328 855 HD11 LEU 112 1HD1 LEU 112 -4.497 -6.682 3.862 856 HD12 LEU 112 2HD1 LEU 112 -4.824 -7.666 2.436 857 HD13 LEU 112 3HD1 LEU 112 -4.351 -8.437 3.950 858 HD21 LEU 112 3HD2 LEU 112 -6.131 -7.291 6.001 859 HD22 LEU 112 1HD2 LEU 112 -5.897 -8.987 5.577 860 HD23 LEU 112 2HD2 LEU 112 -7.524 -8.305 5.620 861 H ASP 113 H ASP 113 -10.586 -5.282 4.739 862 HA ASP 113 HA ASP 113 -10.243 -2.829 3.153 863 HB2 ASP 113 1HB ASP 113 -12.700 -2.639 2.969 864 HB3 ASP 113 2HB ASP 113 -12.085 -4.080 2.164 865 H GLN 114 H GLN 114 -9.417 -1.573 4.755 866 HA GLN 114 HA GLN 114 -9.737 -1.498 7.397 867 HB2 GLN 114 1HB GLN 114 -9.352 0.870 7.385 868 HB3 GLN 114 2HB GLN 114 -8.463 0.169 6.040 869 HG2 GLN 114 1HG GLN 114 -10.831 1.956 6.027 870 HG3 GLN 114 2HG GLN 114 -9.379 1.992 5.029 871 HE21 GLN 114 1HE2 GLN 114 -12.600 1.408 4.998 872 HE22 GLN 114 2HE2 GLN 114 -12.701 0.385 3.609 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -18.812 -34.243 22.011 2 HA2 GLY 1 1HA GLY 1 -17.216 -32.473 21.766 3 HA3 GLY 1 2HA GLY 1 -17.953 -32.668 20.183 4 H SER 2 H SER 2 -16.926 -30.317 20.447 5 HA SER 2 HA SER 2 -18.790 -28.444 21.649 6 HB2 SER 2 1HB SER 2 -16.281 -27.901 20.043 7 HB3 SER 2 2HB SER 2 -17.181 -26.726 21.002 8 HG SER 2 HG SER 2 -15.334 -27.605 22.093 9 H SER 3 H SER 3 -20.650 -28.320 20.515 10 HA SER 3 HA SER 3 -20.849 -28.502 17.703 11 HB2 SER 3 1HB SER 3 -22.684 -28.827 19.500 12 HB3 SER 3 2HB SER 3 -22.874 -27.076 19.415 13 HG SER 3 HG SER 3 -24.213 -27.684 17.868 14 H GLY 4 H GLY 4 -20.515 -27.042 16.155 15 HA2 GLY 4 1HA GLY 4 -21.169 -24.404 16.058 16 HA3 GLY 4 2HA GLY 4 -19.604 -24.401 16.858 17 H SER 5 H SER 5 -20.749 -23.607 14.085 18 HA SER 5 HA SER 5 -19.437 -25.215 12.167 19 HB2 SER 5 1HB SER 5 -19.755 -23.208 10.666 20 HB3 SER 5 2HB SER 5 -21.227 -23.796 11.439 21 HG SER 5 HG SER 5 -20.925 -21.480 11.530 22 H SER 6 H SER 6 -18.572 -22.013 13.477 23 HA SER 6 HA SER 6 -16.597 -20.857 13.438 24 HB2 SER 6 1HB SER 6 -16.333 -22.822 15.147 25 HB3 SER 6 2HB SER 6 -15.196 -23.459 13.958 26 HG SER 6 HG SER 6 -15.069 -20.859 15.090 27 H GLY 7 H GLY 7 -17.381 -21.559 10.871 28 HA2 GLY 7 1HA GLY 7 -14.789 -22.187 9.595 29 HA3 GLY 7 2HA GLY 7 -16.334 -22.671 8.913 30 H MET 8 H MET 8 -14.962 -19.632 10.187 31 HA MET 8 HA MET 8 -16.067 -18.261 7.836 32 HB2 MET 8 1HB MET 8 -16.496 -17.599 10.364 33 HB3 MET 8 2HB MET 8 -14.957 -16.771 10.171 34 HG2 MET 8 1HG MET 8 -16.771 -15.248 9.750 35 HG3 MET 8 2HG MET 8 -15.872 -15.538 8.262 36 HE1 MET 8 3HE MET 8 -18.745 -15.833 5.979 37 HE2 MET 8 1HE MET 8 -17.804 -14.565 6.764 38 HE3 MET 8 2HE MET 8 -16.991 -15.981 6.099 39 H ALA 9 H ALA 9 -14.800 -16.845 6.611 40 HA ALA 9 HA ALA 9 -12.060 -17.608 6.344 41 HB1 ALA 9 3HB ALA 9 -13.758 -15.537 4.979 42 HB2 ALA 9 1HB ALA 9 -12.047 -15.755 4.611 43 HB3 ALA 9 2HB ALA 9 -13.183 -17.078 4.342 44 H SER 10 H SER 10 -10.329 -16.763 7.296 45 HA SER 10 HA SER 10 -10.442 -14.875 9.330 46 HB2 SER 10 1HB SER 10 -8.582 -16.475 9.034 47 HB3 SER 10 2HB SER 10 -8.046 -15.576 7.614 48 HG SER 10 HG SER 10 -6.995 -14.354 8.945 49 H THR 11 H THR 11 -9.651 -12.715 9.465 50 HA THR 11 HA THR 11 -9.192 -11.228 7.026 51 HB THR 11 HB THR 11 -11.620 -11.213 7.063 52 HG1 THR 11 1HG THR 11 -10.956 -8.663 8.055 53 HG21 THR 11 3HG2 THR 11 -12.443 -9.724 9.193 54 HG22 THR 11 1HG2 THR 11 -11.190 -10.725 9.926 55 HG23 THR 11 2HG2 THR 11 -12.550 -11.481 9.096 56 H PHE 12 H PHE 12 -8.182 -9.258 7.366 57 HA PHE 12 HA PHE 12 -7.458 -8.684 10.164 58 HB2 PHE 12 1HB PHE 12 -5.800 -8.093 7.706 59 HB3 PHE 12 2HB PHE 12 -5.310 -7.888 9.384 60 HD1 PHE 12 2HD PHE 12 -6.184 -10.399 6.819 61 HD2 PHE 12 1HD PHE 12 -4.400 -9.672 10.614 62 HE1 PHE 12 2HE PHE 12 -5.284 -12.689 6.830 63 HE2 PHE 12 1HE PHE 12 -3.496 -11.960 10.631 64 HZ PHE 12 HZ PHE 12 -3.939 -13.472 8.739 65 H ASN 13 H ASN 13 -6.958 -6.416 10.641 66 HA ASN 13 HA ASN 13 -8.735 -4.629 9.129 67 HB2 ASN 13 1HB ASN 13 -8.501 -3.202 11.270 68 HB3 ASN 13 2HB ASN 13 -9.481 -4.663 11.351 69 HD21 ASN 13 1HD2 ASN 13 -9.241 -5.049 13.496 70 HD22 ASN 13 2HD2 ASN 13 -7.736 -5.470 14.233 71 HA PRO 14 HA PRO 14 -4.626 -3.046 7.903 72 HB2 PRO 14 1HB PRO 14 -5.495 -2.044 5.534 73 HB3 PRO 14 2HB PRO 14 -5.043 -3.739 5.753 74 HG2 PRO 14 1HG PRO 14 -7.764 -2.492 5.738 75 HG3 PRO 14 2HG PRO 14 -7.219 -3.998 4.976 76 HD2 PRO 14 1HD PRO 14 -8.579 -3.959 7.317 77 HD3 PRO 14 2HD PRO 14 -7.356 -5.191 6.943 78 H ARG 15 H ARG 15 -3.833 -0.944 7.852 79 HA ARG 15 HA ARG 15 -5.684 1.086 8.844 80 HB2 ARG 15 1HB ARG 15 -2.684 0.848 8.810 81 HB3 ARG 15 2HB ARG 15 -3.481 2.369 9.188 82 HG2 ARG 15 1HG ARG 15 -4.364 1.566 11.169 83 HG3 ARG 15 2HG ARG 15 -4.210 -0.120 10.670 84 HD2 ARG 15 1HD ARG 15 -2.465 0.037 12.146 85 HD3 ARG 15 2HD ARG 15 -1.649 0.459 10.641 86 HE ARG 15 HE ARG 15 -2.704 2.713 12.094 87 HH11 ARG 15 1HH1 ARG 15 0.019 0.592 11.637 88 HH12 ARG 15 2HH1 ARG 15 1.172 1.724 12.262 89 HH21 ARG 15 1HH2 ARG 15 -1.195 4.212 12.919 90 HH22 ARG 15 2HH2 ARG 15 0.480 3.782 12.992 91 H GLU 16 H GLU 16 -6.107 2.991 7.815 92 HA GLU 16 HA GLU 16 -5.274 3.139 5.011 93 HB2 GLU 16 1HB GLU 16 -7.723 3.214 5.712 94 HB3 GLU 16 2HB GLU 16 -7.387 4.815 6.357 95 HG2 GLU 16 1HG GLU 16 -6.489 5.329 3.994 96 HG3 GLU 16 2HG GLU 16 -7.391 3.892 3.515 97 H CYS 17 H CYS 17 -4.353 4.980 4.117 98 HA CYS 17 HA CYS 17 -3.477 7.054 6.010 99 HB2 CYS 17 1HB CYS 17 -1.827 5.444 4.092 100 HB3 CYS 17 2HB CYS 17 -1.339 7.084 4.503 101 HG CYS 17 HG CYS 17 0.096 5.113 5.995 102 H LYS 18 H LYS 18 -3.563 9.118 5.284 103 HA LYS 18 HA LYS 18 -4.460 9.510 2.504 104 HB2 LYS 18 1HB LYS 18 -5.298 10.781 5.075 105 HB3 LYS 18 2HB LYS 18 -5.362 11.739 3.602 106 HG2 LYS 18 1HG LYS 18 -7.064 10.515 2.711 107 HG3 LYS 18 2HG LYS 18 -6.597 9.040 3.561 108 HD2 LYS 18 1HD LYS 18 -7.438 9.967 5.653 109 HD3 LYS 18 2HD LYS 18 -7.868 11.468 4.829 110 HE2 LYS 18 1HE LYS 18 -9.649 10.513 3.734 111 HE3 LYS 18 2HE LYS 18 -8.955 8.893 3.794 112 HZ1 LYS 18 3HZ LYS 18 -10.855 9.107 5.273 113 HZ2 LYS 18 1HZ LYS 18 -10.094 10.366 6.108 114 HZ3 LYS 18 2HZ LYS 18 -9.444 8.806 6.155 115 H LEU 19 H LEU 19 -2.787 10.221 1.346 116 HA LEU 19 HA LEU 19 -0.865 12.061 2.571 117 HB2 LEU 19 1HB LEU 19 -0.811 10.176 0.282 118 HB3 LEU 19 2HB LEU 19 0.195 11.618 0.168 119 HG LEU 19 HG LEU 19 1.035 10.825 2.532 120 HD11 LEU 19 1HD1 LEU 19 0.898 8.566 2.999 121 HD12 LEU 19 2HD1 LEU 19 0.460 8.143 1.344 122 HD13 LEU 19 3HD1 LEU 19 -0.720 8.924 2.396 123 HD21 LEU 19 3HD2 LEU 19 2.463 11.074 0.602 124 HD22 LEU 19 1HD2 LEU 19 1.856 9.566 -0.082 125 HD23 LEU 19 2HD2 LEU 19 2.814 9.539 1.398 126 H SER 20 H SER 20 -0.531 14.114 1.853 127 HA SER 20 HA SER 20 -2.082 15.050 -0.455 128 HB2 SER 20 1HB SER 20 -2.784 17.059 0.798 129 HB3 SER 20 2HB SER 20 -3.420 15.583 1.525 130 HG SER 20 HG SER 20 -2.552 16.388 3.269 131 H LYS 21 H LYS 21 -0.919 16.270 -1.791 132 HA LYS 21 HA LYS 21 1.379 17.761 -0.748 133 HB2 LYS 21 1HB LYS 21 2.873 16.940 -2.403 134 HB3 LYS 21 2HB LYS 21 2.109 15.528 -1.683 135 HG2 LYS 21 1HG LYS 21 0.800 15.124 -3.568 136 HG3 LYS 21 2HG LYS 21 1.044 16.754 -4.200 137 HD2 LYS 21 1HD LYS 21 3.562 16.025 -4.250 138 HD3 LYS 21 2HD LYS 21 2.877 14.398 -4.252 139 HE2 LYS 21 1HE LYS 21 1.782 16.401 -6.161 140 HE3 LYS 21 2HE LYS 21 3.365 15.702 -6.498 141 HZ1 LYS 21 3HZ LYS 21 1.472 14.491 -7.515 142 HZ2 LYS 21 1HZ LYS 21 0.933 14.090 -5.963 143 HZ3 LYS 21 2HZ LYS 21 2.432 13.529 -6.510 144 H GLN 22 H GLN 22 2.332 19.127 -2.661 145 HA GLN 22 HA GLN 22 0.086 20.627 -3.745 146 HB2 GLN 22 1HB GLN 22 3.041 21.259 -3.809 147 HB3 GLN 22 2HB GLN 22 1.738 22.350 -4.262 148 HG2 GLN 22 1HG GLN 22 1.796 21.181 -1.521 149 HG3 GLN 22 2HG GLN 22 2.852 22.533 -1.922 150 HE21 GLN 22 1HE2 GLN 22 2.043 24.416 -1.382 151 HE22 GLN 22 2HE2 GLN 22 0.372 24.852 -1.381 152 H GLU 23 H GLU 23 0.536 21.630 -6.000 153 HA GLU 23 HA GLU 23 0.809 19.411 -7.832 154 HB2 GLU 23 1HB GLU 23 -0.960 20.773 -8.456 155 HB3 GLU 23 2HB GLU 23 -0.101 22.251 -8.048 156 HG2 GLU 23 1HG GLU 23 -0.287 22.191 -10.399 157 HG3 GLU 23 2HG GLU 23 1.392 21.817 -10.011 158 H GLY 24 H GLY 24 2.814 18.794 -8.346 159 HA2 GLY 24 1HA GLY 24 4.636 19.331 -9.906 160 HA3 GLY 24 2HA GLY 24 4.726 20.906 -9.132 161 H GLN 25 H GLN 25 4.481 19.936 -6.439 162 HA GLN 25 HA GLN 25 7.234 19.205 -6.015 163 HB2 GLN 25 1HB GLN 25 5.638 20.774 -4.605 164 HB3 GLN 25 2HB GLN 25 5.244 19.266 -3.790 165 HG2 GLN 25 1HG GLN 25 7.882 19.066 -3.691 166 HG3 GLN 25 2HG GLN 25 7.764 20.821 -3.797 167 HE21 GLN 25 1HE2 GLN 25 8.730 20.748 -1.660 168 HE22 GLN 25 2HE2 GLN 25 7.713 20.521 -0.283 169 H ASN 26 H ASN 26 7.913 17.400 -4.692 170 HA ASN 26 HA ASN 26 6.497 14.984 -5.408 171 HB2 ASN 26 1HB ASN 26 9.152 15.576 -4.132 172 HB3 ASN 26 2HB ASN 26 8.493 13.943 -4.108 173 HD21 ASN 26 1HD2 ASN 26 10.859 15.105 -5.449 174 HD22 ASN 26 2HD2 ASN 26 10.682 14.695 -7.118 175 H TYR 27 H TYR 27 6.369 13.219 -3.676 176 HA TYR 27 HA TYR 27 4.800 14.281 -1.488 177 HB2 TYR 27 1HB TYR 27 5.218 11.607 -2.724 178 HB3 TYR 27 2HB TYR 27 4.727 11.646 -1.034 179 HD1 TYR 27 2HD TYR 27 2.717 13.396 -0.591 180 HD2 TYR 27 1HD TYR 27 3.533 11.441 -4.281 181 HE1 TYR 27 2HE TYR 27 0.377 13.722 -1.275 182 HE2 TYR 27 1HE TYR 27 1.196 11.763 -4.975 183 HH TYR 27 HH TYR 27 -1.204 13.117 -2.777 184 H GLY 28 H GLY 28 7.595 12.081 -1.791 185 HA2 GLY 28 1HA GLY 28 9.460 12.878 -0.206 186 HA3 GLY 28 2HA GLY 28 8.234 12.637 1.030 187 H PHE 29 H PHE 29 7.151 10.274 -0.409 188 HA PHE 29 HA PHE 29 9.239 8.372 0.415 189 HB2 PHE 29 1HB PHE 29 7.609 6.940 1.206 190 HB3 PHE 29 2HB PHE 29 6.854 8.499 1.521 191 HD1 PHE 29 1HD PHE 29 5.330 9.410 -0.400 192 HD2 PHE 29 2HD PHE 29 6.416 5.323 0.087 193 HE1 PHE 29 1HE PHE 29 3.377 8.735 -1.737 194 HE2 PHE 29 2HE PHE 29 4.466 4.642 -1.250 195 HZ PHE 29 HZ PHE 29 2.944 6.349 -2.164 196 H PHE 30 H PHE 30 9.798 6.664 -0.897 197 HA PHE 30 HA PHE 30 8.732 6.764 -3.642 198 HB2 PHE 30 1HB PHE 30 11.510 6.052 -2.684 199 HB3 PHE 30 2HB PHE 30 10.957 5.857 -4.344 200 HD1 PHE 30 1HD PHE 30 10.583 7.781 -5.766 201 HD2 PHE 30 2HD PHE 30 11.958 8.234 -1.763 202 HE1 PHE 30 1HE PHE 30 11.221 10.107 -6.252 203 HE2 PHE 30 2HE PHE 30 12.597 10.561 -2.243 204 HZ PHE 30 HZ PHE 30 12.229 11.501 -4.490 205 H LEU 31 H LEU 31 8.202 4.865 -4.665 206 HA LEU 31 HA LEU 31 7.825 2.567 -2.914 207 HB2 LEU 31 1HB LEU 31 6.828 3.200 -5.684 208 HB3 LEU 31 2HB LEU 31 6.501 1.683 -4.850 209 HG LEU 31 HG LEU 31 5.729 4.245 -3.533 210 HD11 LEU 31 1HD1 LEU 31 4.159 2.910 -5.734 211 HD12 LEU 31 2HD1 LEU 31 4.899 4.509 -5.802 212 HD13 LEU 31 3HD1 LEU 31 3.570 4.200 -4.685 213 HD21 LEU 31 3HD2 LEU 31 4.057 2.901 -2.517 214 HD22 LEU 31 1HD2 LEU 31 5.560 1.981 -2.450 215 HD23 LEU 31 2HD2 LEU 31 4.334 1.579 -3.653 216 H ARG 32 H ARG 32 9.783 1.554 -2.743 217 HA ARG 32 HA ARG 32 11.007 0.611 -5.252 218 HB2 ARG 32 1HB ARG 32 13.124 0.567 -4.172 219 HB3 ARG 32 2HB ARG 32 12.394 2.117 -3.773 220 HG2 ARG 32 1HG ARG 32 13.142 1.534 -1.716 221 HG3 ARG 32 2HG ARG 32 11.558 0.758 -1.659 222 HD2 ARG 32 1HD ARG 32 13.538 -0.638 -0.904 223 HD3 ARG 32 2HD ARG 32 12.468 -1.367 -2.100 224 HE ARG 32 HE ARG 32 14.233 -1.444 -3.537 225 HH11 ARG 32 1HH1 ARG 32 14.893 0.959 -1.107 226 HH12 ARG 32 2HH1 ARG 32 16.499 1.277 -1.671 227 HH21 ARG 32 1HH2 ARG 32 16.347 -1.034 -4.290 228 HH22 ARG 32 2HH2 ARG 32 17.325 0.144 -3.482 229 H ILE 33 H ILE 33 11.330 -1.536 -5.554 230 HA ILE 33 HA ILE 33 10.087 -3.328 -3.612 231 HB ILE 33 HB ILE 33 10.229 -5.033 -5.387 232 HG12 ILE 33 1HG1 ILE 33 11.112 -2.882 -7.289 233 HG13 ILE 33 2HG1 ILE 33 12.303 -3.838 -6.413 234 HG21 ILE 33 1HG2 ILE 33 8.265 -4.322 -6.159 235 HG22 ILE 33 2HG2 ILE 33 8.550 -2.837 -5.253 236 HG23 ILE 33 3HG2 ILE 33 8.999 -2.931 -6.955 237 HD11 ILE 33 3HD1 ILE 33 11.107 -5.877 -7.349 238 HD12 ILE 33 1HD1 ILE 33 10.299 -4.753 -8.442 239 HD13 ILE 33 2HD1 ILE 33 12.056 -4.905 -8.473 240 H GLU 34 H GLU 34 11.119 -5.110 -2.719 241 HA GLU 34 HA GLU 34 14.059 -5.023 -2.849 242 HB2 GLU 34 1HB GLU 34 12.161 -5.774 -0.639 243 HB3 GLU 34 2HB GLU 34 13.841 -6.293 -0.615 244 HG2 GLU 34 1HG GLU 34 13.162 -3.408 -0.981 245 HG3 GLU 34 2HG GLU 34 13.151 -4.134 0.625 246 H LYS 35 H LYS 35 15.153 -7.132 -2.477 247 HA LYS 35 HA LYS 35 14.057 -9.104 -4.265 248 HB2 LYS 35 1HB LYS 35 16.645 -8.739 -2.813 249 HB3 LYS 35 2HB LYS 35 16.240 -10.333 -3.435 250 HG2 LYS 35 1HG LYS 35 17.537 -9.309 -5.100 251 HG3 LYS 35 2HG LYS 35 15.871 -9.219 -5.676 252 HD2 LYS 35 1HD LYS 35 16.734 -7.088 -6.097 253 HD3 LYS 35 2HD LYS 35 15.829 -6.892 -4.595 254 HE2 LYS 35 1HE LYS 35 17.875 -5.770 -4.260 255 HE3 LYS 35 2HE LYS 35 18.019 -7.295 -3.387 256 HZ1 LYS 35 3HZ LYS 35 18.950 -7.832 -5.908 257 HZ2 LYS 35 1HZ LYS 35 19.887 -7.607 -4.517 258 HZ3 LYS 35 2HZ LYS 35 19.582 -6.303 -5.551 259 H ASP 36 H ASP 36 13.074 -10.970 -3.766 260 HA ASP 36 HA ASP 36 12.095 -12.632 -2.560 261 HB2 ASP 36 1HB ASP 36 14.297 -11.995 -0.585 262 HB3 ASP 36 2HB ASP 36 13.245 -13.405 -0.500 263 H THR 37 H THR 37 10.913 -10.143 -2.414 264 HA THR 37 HA THR 37 9.595 -10.330 0.179 265 HB THR 37 HB THR 37 10.698 -7.707 -0.846 266 HG1 THR 37 1HG THR 37 12.376 -8.787 0.098 267 HG21 THR 37 3HG2 THR 37 9.146 -6.753 0.436 268 HG22 THR 37 1HG2 THR 37 9.881 -7.526 1.840 269 HG23 THR 37 2HG2 THR 37 8.568 -8.328 0.977 270 H ASP 38 H ASP 38 7.458 -10.178 -0.042 271 HA ASP 38 HA ASP 38 6.367 -9.424 -2.631 272 HB2 ASP 38 1HB ASP 38 5.120 -10.671 -0.177 273 HB3 ASP 38 2HB ASP 38 4.208 -10.254 -1.625 274 H GLY 39 H GLY 39 4.527 -7.980 -2.810 275 HA2 GLY 39 1HA GLY 39 3.359 -6.047 -2.359 276 HA3 GLY 39 2HA GLY 39 3.786 -6.252 -0.667 277 H HIS 40 H HIS 40 3.693 -3.772 -2.048 278 HA HIS 40 HA HIS 40 6.423 -3.005 -2.621 279 HB2 HIS 40 1HB HIS 40 3.784 -1.567 -2.637 280 HB3 HIS 40 2HB HIS 40 5.297 -0.672 -2.750 281 HD1 HIS 40 1HD HIS 40 6.573 -0.782 -4.960 282 HD2 HIS 40 2HD HIS 40 3.164 -3.157 -4.893 283 HE1 HIS 40 1HE HIS 40 6.203 -1.495 -7.343 284 HE2 HIS 40 2HE HIS 40 4.087 -2.860 -7.291 285 H LEU 41 H LEU 41 7.810 -2.009 -1.281 286 HA LEU 41 HA LEU 41 6.885 -1.473 1.456 287 HB2 LEU 41 1HB LEU 41 9.595 -2.110 0.322 288 HB3 LEU 41 2HB LEU 41 9.369 -1.516 1.966 289 HG LEU 41 HG LEU 41 7.961 -3.991 1.029 290 HD11 LEU 41 1HD1 LEU 41 10.772 -3.823 2.104 291 HD12 LEU 41 2HD1 LEU 41 10.292 -4.366 0.496 292 HD13 LEU 41 3HD1 LEU 41 9.837 -5.307 1.916 293 HD21 LEU 41 3HD2 LEU 41 7.175 -3.180 3.106 294 HD22 LEU 41 1HD2 LEU 41 8.810 -2.857 3.683 295 HD23 LEU 41 2HD2 LEU 41 8.258 -4.520 3.482 296 H ILE 42 H ILE 42 7.219 0.483 2.432 297 HA ILE 42 HA ILE 42 7.848 2.700 0.647 298 HB ILE 42 HB ILE 42 6.614 2.575 3.390 299 HG12 ILE 42 1HG1 ILE 42 4.886 3.967 1.918 300 HG13 ILE 42 2HG1 ILE 42 5.679 3.099 0.607 301 HG21 ILE 42 1HG2 ILE 42 6.429 5.012 3.327 302 HG22 ILE 42 2HG2 ILE 42 8.114 4.494 3.336 303 HG23 ILE 42 3HG2 ILE 42 7.369 5.045 1.836 304 HD11 ILE 42 3HD1 ILE 42 3.954 2.076 2.795 305 HD12 ILE 42 1HD1 ILE 42 3.967 1.674 1.078 306 HD13 ILE 42 2HD1 ILE 42 5.211 1.023 2.146 307 H ARG 43 H ARG 43 9.906 3.296 0.510 308 HA ARG 43 HA ARG 43 11.475 3.468 2.995 309 HB2 ARG 43 1HB ARG 43 12.031 1.577 1.230 310 HB3 ARG 43 2HB ARG 43 12.849 2.899 0.406 311 HG2 ARG 43 1HG ARG 43 14.375 3.196 2.144 312 HG3 ARG 43 2HG ARG 43 13.379 2.301 3.293 313 HD2 ARG 43 1HD ARG 43 14.373 0.889 0.869 314 HD3 ARG 43 2HD ARG 43 15.511 1.219 2.174 315 HE ARG 43 HE ARG 43 13.340 -0.674 2.198 316 HH11 ARG 43 1HH1 ARG 43 15.505 1.252 4.128 317 HH12 ARG 43 2HH1 ARG 43 15.368 0.238 5.527 318 HH21 ARG 43 1HH2 ARG 43 13.152 -2.015 4.032 319 HH22 ARG 43 2HH2 ARG 43 14.030 -1.620 5.471 320 H VAL 44 H VAL 44 13.433 4.926 2.694 321 HA VAL 44 HA VAL 44 14.331 6.965 2.216 322 HB VAL 44 HB VAL 44 12.586 6.974 -0.248 323 HG11 VAL 44 1HG1 VAL 44 14.883 8.606 0.712 324 HG12 VAL 44 2HG1 VAL 44 14.726 8.298 -1.018 325 HG13 VAL 44 3HG1 VAL 44 13.423 9.104 -0.143 326 HG21 VAL 44 3HG2 VAL 44 14.422 5.953 -1.435 327 HG22 VAL 44 1HG2 VAL 44 15.401 5.930 0.031 328 HG23 VAL 44 2HG2 VAL 44 13.960 4.920 -0.083 329 H ILE 45 H ILE 45 12.492 7.090 4.093 330 HA ILE 45 HA ILE 45 10.509 9.114 3.384 331 HB ILE 45 HB ILE 45 10.936 7.710 6.024 332 HG12 ILE 45 1HG1 ILE 45 8.797 7.191 3.953 333 HG13 ILE 45 2HG1 ILE 45 10.269 6.236 4.086 334 HG21 ILE 45 1HG2 ILE 45 9.779 9.993 5.959 335 HG22 ILE 45 2HG2 ILE 45 8.463 9.157 5.137 336 HG23 ILE 45 3HG2 ILE 45 8.936 8.670 6.764 337 HD11 ILE 45 3HD1 ILE 45 8.975 4.929 5.366 338 HD12 ILE 45 1HD1 ILE 45 9.382 6.099 6.621 339 HD13 ILE 45 2HD1 ILE 45 7.853 6.234 5.752 340 H GLU 46 H GLU 46 11.254 11.135 3.364 341 HA GLU 46 HA GLU 46 13.451 11.985 5.003 342 HB2 GLU 46 1HB GLU 46 13.022 12.874 2.716 343 HB3 GLU 46 2HB GLU 46 11.575 13.662 3.329 344 HG2 GLU 46 1HG GLU 46 13.365 15.256 3.182 345 HG3 GLU 46 2HG GLU 46 12.966 14.971 4.876 346 H GLU 47 H GLU 47 13.364 13.753 6.529 347 HA GLU 47 HA GLU 47 11.095 13.506 8.298 348 HB2 GLU 47 1HB GLU 47 13.519 13.609 9.043 349 HB3 GLU 47 2HB GLU 47 13.481 15.319 8.637 350 HG2 GLU 47 1HG GLU 47 11.513 15.509 10.218 351 HG3 GLU 47 2HG GLU 47 11.923 13.882 10.761 352 H GLY 48 H GLY 48 9.413 14.844 8.405 353 HA2 GLY 48 1HA GLY 48 8.269 16.880 8.376 354 HA3 GLY 48 2HA GLY 48 9.692 17.642 7.682 355 H SER 49 H SER 49 8.263 14.738 6.355 356 HA SER 49 HA SER 49 7.525 16.284 3.963 357 HB2 SER 49 1HB SER 49 7.743 14.160 2.728 358 HB3 SER 49 2HB SER 49 9.236 14.572 3.570 359 HG SER 49 HG SER 49 8.048 13.169 5.307 360 HA PRO 50 HA PRO 50 3.264 15.367 4.483 361 HB2 PRO 50 1HB PRO 50 2.454 15.188 1.898 362 HB3 PRO 50 2HB PRO 50 2.878 16.722 2.668 363 HG2 PRO 50 1HG PRO 50 4.522 14.991 0.861 364 HG3 PRO 50 2HG PRO 50 4.344 16.755 0.863 365 HD2 PRO 50 1HD PRO 50 6.485 15.505 1.953 366 HD3 PRO 50 2HD PRO 50 5.840 17.030 2.595 367 H ALA 51 H ALA 51 5.408 13.147 3.073 368 HA ALA 51 HA ALA 51 3.440 11.091 2.548 369 HB1 ALA 51 3HB ALA 51 6.429 10.757 2.628 370 HB2 ALA 51 1HB ALA 51 5.243 9.751 1.796 371 HB3 ALA 51 2HB ALA 51 5.565 11.389 1.227 372 H GLU 52 H GLU 52 5.450 12.111 5.167 373 HA GLU 52 HA GLU 52 5.134 9.586 6.591 374 HB2 GLU 52 1HB GLU 52 7.304 10.847 6.615 375 HB3 GLU 52 2HB GLU 52 6.497 12.113 7.528 376 HG2 GLU 52 1HG GLU 52 6.266 10.785 9.415 377 HG3 GLU 52 2HG GLU 52 6.489 9.290 8.508 378 H LYS 53 H LYS 53 4.149 12.971 6.823 379 HA LYS 53 HA LYS 53 2.944 13.106 9.254 380 HB2 LYS 53 1HB LYS 53 1.492 14.801 8.372 381 HB3 LYS 53 2HB LYS 53 3.042 14.935 7.551 382 HG2 LYS 53 1HG LYS 53 2.198 14.057 5.560 383 HG3 LYS 53 2HG LYS 53 0.771 13.388 6.355 384 HD2 LYS 53 1HD LYS 53 1.206 16.335 6.438 385 HD3 LYS 53 2HD LYS 53 0.631 15.605 4.937 386 HE2 LYS 53 1HE LYS 53 -0.665 15.258 7.638 387 HE3 LYS 53 2HE LYS 53 -1.199 16.396 6.402 388 HZ1 LYS 53 3HZ LYS 53 -2.376 14.782 5.482 389 HZ2 LYS 53 1HZ LYS 53 -1.854 13.688 6.663 390 HZ3 LYS 53 2HZ LYS 53 -0.976 13.867 5.228 391 H ALA 54 H ALA 54 1.979 11.153 6.582 392 HA ALA 54 HA ALA 54 -0.674 10.644 7.654 393 HB1 ALA 54 3HB ALA 54 0.780 9.674 5.209 394 HB2 ALA 54 1HB ALA 54 -0.788 9.032 5.698 395 HB3 ALA 54 2HB ALA 54 -0.620 10.743 5.301 396 H GLY 55 H GLY 55 1.651 9.927 9.262 397 HA2 GLY 55 1HA GLY 55 2.331 8.202 10.615 398 HA3 GLY 55 2HA GLY 55 0.819 7.414 10.190 399 H LEU 56 H LEU 56 2.845 8.209 7.556 400 HA LEU 56 HA LEU 56 3.191 5.456 6.874 401 HB2 LEU 56 1HB LEU 56 2.997 7.627 5.387 402 HB3 LEU 56 2HB LEU 56 4.752 7.611 5.540 403 HG LEU 56 HG LEU 56 4.614 5.203 4.664 404 HD11 LEU 56 1HD1 LEU 56 2.072 5.205 5.013 405 HD12 LEU 56 2HD1 LEU 56 2.707 4.502 3.526 406 HD13 LEU 56 3HD1 LEU 56 2.006 6.120 3.506 407 HD21 LEU 56 3HD2 LEU 56 3.916 7.549 2.901 408 HD22 LEU 56 1HD2 LEU 56 4.525 5.996 2.329 409 HD23 LEU 56 2HD2 LEU 56 5.534 7.014 3.356 410 H LEU 57 H LEU 57 4.668 4.169 7.738 411 HA LEU 57 HA LEU 57 7.217 5.337 8.630 412 HB2 LEU 57 1HB LEU 57 5.566 3.051 9.600 413 HB3 LEU 57 2HB LEU 57 7.309 3.023 9.858 414 HG LEU 57 HG LEU 57 6.137 3.841 11.829 415 HD11 LEU 57 1HD1 LEU 57 7.491 5.713 12.254 416 HD12 LEU 57 2HD1 LEU 57 7.526 6.179 10.554 417 HD13 LEU 57 3HD1 LEU 57 8.394 4.741 11.092 418 HD21 LEU 57 3HD2 LEU 57 5.156 6.065 10.043 419 HD22 LEU 57 1HD2 LEU 57 4.911 5.943 11.785 420 HD23 LEU 57 2HD2 LEU 57 4.167 4.764 10.705 421 H ASP 58 H ASP 58 9.103 3.808 8.500 422 HA ASP 58 HA ASP 58 9.293 2.811 5.800 423 HB2 ASP 58 1HB ASP 58 11.589 2.799 6.103 424 HB3 ASP 58 2HB ASP 58 11.100 4.061 7.230 425 H GLY 59 H GLY 59 8.986 0.780 5.166 426 HA2 GLY 59 1HA GLY 59 9.427 -1.576 5.407 427 HA3 GLY 59 2HA GLY 59 9.299 -1.377 7.148 428 H ASP 60 H ASP 60 6.965 0.260 5.239 429 HA ASP 60 HA ASP 60 4.910 -1.577 6.214 430 HB2 ASP 60 1HB ASP 60 4.702 1.190 5.007 431 HB3 ASP 60 2HB ASP 60 3.328 0.230 5.550 432 H ARG 61 H ARG 61 3.384 -2.542 4.876 433 HA ARG 61 HA ARG 61 4.148 -2.656 2.035 434 HB2 ARG 61 1HB ARG 61 3.018 -4.694 3.920 435 HB3 ARG 61 2HB ARG 61 2.736 -4.853 2.192 436 HG2 ARG 61 1HG ARG 61 4.628 -6.091 2.375 437 HG3 ARG 61 2HG ARG 61 5.355 -4.507 2.099 438 HD2 ARG 61 1HD ARG 61 5.888 -4.233 4.365 439 HD3 ARG 61 2HD ARG 61 4.785 -5.514 4.867 440 HE ARG 61 HE ARG 61 6.638 -6.754 3.277 441 HH11 ARG 61 1HH1 ARG 61 6.731 -4.826 6.174 442 HH12 ARG 61 2HH1 ARG 61 8.152 -5.597 6.798 443 HH21 ARG 61 1HH2 ARG 61 8.509 -7.777 4.087 444 HH22 ARG 61 2HH2 ARG 61 9.163 -7.275 5.610 445 H VAL 62 H VAL 62 2.755 -1.945 0.557 446 HA VAL 62 HA VAL 62 0.099 -1.101 1.432 447 HB VAL 62 HB VAL 62 1.195 0.627 0.272 448 HG11 VAL 62 1HG1 VAL 62 2.287 -1.568 -1.311 449 HG12 VAL 62 2HG1 VAL 62 1.836 -0.160 -2.274 450 HG13 VAL 62 3HG1 VAL 62 2.974 0.012 -0.938 451 HG21 VAL 62 3HG2 VAL 62 -1.116 0.368 -0.416 452 HG22 VAL 62 1HG2 VAL 62 -0.142 0.927 -1.775 453 HG23 VAL 62 2HG2 VAL 62 -0.638 -0.763 -1.682 454 H LEU 63 H LEU 63 -1.653 -2.262 1.013 455 HA LEU 63 HA LEU 63 -1.490 -4.611 -0.650 456 HB2 LEU 63 1HB LEU 63 -3.817 -3.407 0.841 457 HB3 LEU 63 2HB LEU 63 -3.820 -4.980 0.048 458 HG LEU 63 HG LEU 63 -1.783 -4.457 2.158 459 HD11 LEU 63 1HD1 LEU 63 -3.714 -5.532 3.656 460 HD12 LEU 63 2HD1 LEU 63 -4.708 -4.557 2.574 461 HD13 LEU 63 3HD1 LEU 63 -3.447 -3.792 3.540 462 HD21 LEU 63 3HD2 LEU 63 -1.960 -6.802 2.513 463 HD22 LEU 63 1HD2 LEU 63 -1.886 -6.545 0.769 464 HD23 LEU 63 2HD2 LEU 63 -3.430 -6.902 1.543 465 H ARG 64 H ARG 64 -3.628 -1.752 -0.625 466 HA ARG 64 HA ARG 64 -3.849 -2.021 -3.550 467 HB2 ARG 64 1HB ARG 64 -6.034 -1.124 -1.663 468 HB3 ARG 64 2HB ARG 64 -6.162 -1.252 -3.412 469 HG2 ARG 64 1HG ARG 64 -5.457 -3.754 -2.909 470 HG3 ARG 64 2HG ARG 64 -6.181 -3.373 -1.345 471 HD2 ARG 64 1HD ARG 64 -8.235 -2.663 -2.483 472 HD3 ARG 64 2HD ARG 64 -7.508 -3.067 -4.037 473 HE ARG 64 HE ARG 64 -7.612 -5.231 -2.119 474 HH11 ARG 64 1HH1 ARG 64 -9.176 -3.608 -4.772 475 HH12 ARG 64 2HH1 ARG 64 -10.134 -4.981 -5.218 476 HH21 ARG 64 1HH2 ARG 64 -8.867 -7.046 -2.697 477 HH22 ARG 64 2HH2 ARG 64 -9.958 -6.936 -4.036 478 H ILE 65 H ILE 65 -3.792 -0.150 -4.751 479 HA ILE 65 HA ILE 65 -2.998 2.266 -3.274 480 HB ILE 65 HB ILE 65 -1.517 1.107 -5.114 481 HG12 ILE 65 1HG1 ILE 65 -0.892 3.148 -3.952 482 HG13 ILE 65 2HG1 ILE 65 -0.559 3.326 -5.671 483 HG21 ILE 65 1HG2 ILE 65 -1.863 2.089 -7.336 484 HG22 ILE 65 2HG2 ILE 65 -3.219 1.076 -6.844 485 HG23 ILE 65 3HG2 ILE 65 -3.358 2.832 -6.765 486 HD11 ILE 65 3HD1 ILE 65 -1.608 5.279 -5.465 487 HD12 ILE 65 1HD1 ILE 65 -3.088 4.321 -5.481 488 HD13 ILE 65 2HD1 ILE 65 -2.373 4.816 -3.946 489 H ASN 66 H ASN 66 -4.226 4.038 -3.346 490 HA ASN 66 HA ASN 66 -6.122 5.281 -3.681 491 HB2 ASN 66 1HB ASN 66 -4.498 5.730 -5.662 492 HB3 ASN 66 2HB ASN 66 -5.672 4.830 -6.617 493 HD21 ASN 66 1HD2 ASN 66 -5.238 7.632 -4.546 494 HD22 ASN 66 2HD2 ASN 66 -6.550 8.549 -5.199 495 H GLY 67 H GLY 67 -6.555 2.383 -3.473 496 HA2 GLY 67 1HA GLY 67 -8.553 1.178 -3.412 497 HA3 GLY 67 2HA GLY 67 -9.273 2.364 -4.491 498 H VAL 68 H VAL 68 -6.283 0.551 -5.000 499 HA VAL 68 HA VAL 68 -7.596 -1.108 -7.016 500 HB VAL 68 HB VAL 68 -5.222 0.659 -7.627 501 HG11 VAL 68 1HG1 VAL 68 -5.943 -1.868 -8.705 502 HG12 VAL 68 2HG1 VAL 68 -6.242 -0.638 -9.934 503 HG13 VAL 68 3HG1 VAL 68 -4.642 -0.787 -9.206 504 HG21 VAL 68 3HG2 VAL 68 -6.605 1.869 -9.070 505 HG22 VAL 68 1HG2 VAL 68 -7.850 0.619 -9.073 506 HG23 VAL 68 2HG2 VAL 68 -7.607 1.618 -7.640 507 H PHE 69 H PHE 69 -7.013 -3.129 -6.624 508 HA PHE 69 HA PHE 69 -5.014 -3.926 -4.863 509 HB2 PHE 69 1HB PHE 69 -7.010 -5.261 -5.834 510 HB3 PHE 69 2HB PHE 69 -5.908 -5.669 -7.145 511 HD1 PHE 69 2HD PHE 69 -5.959 -5.626 -3.414 512 HD2 PHE 69 1HD PHE 69 -4.729 -7.624 -6.965 513 HE1 PHE 69 2HE PHE 69 -5.032 -7.458 -2.058 514 HE2 PHE 69 1HE PHE 69 -3.801 -9.460 -5.615 515 HZ PHE 69 HZ PHE 69 -3.951 -9.378 -3.158 516 H VAL 70 H VAL 70 -2.908 -3.566 -5.062 517 HA VAL 70 HA VAL 70 -1.659 -3.988 -7.701 518 HB VAL 70 HB VAL 70 0.065 -2.350 -7.055 519 HG11 VAL 70 1HG1 VAL 70 -1.423 -1.273 -8.393 520 HG12 VAL 70 2HG1 VAL 70 -2.797 -1.636 -7.347 521 HG13 VAL 70 3HG1 VAL 70 -1.677 -0.343 -6.918 522 HG21 VAL 70 3HG2 VAL 70 0.261 -2.091 -4.820 523 HG22 VAL 70 1HG2 VAL 70 -0.926 -0.811 -5.075 524 HG23 VAL 70 2HG2 VAL 70 -1.450 -2.403 -4.527 525 H ASP 71 H ASP 71 -1.974 -6.141 -6.061 526 HA ASP 71 HA ASP 71 0.334 -6.531 -4.390 527 HB2 ASP 71 1HB ASP 71 -1.709 -7.661 -3.785 528 HB3 ASP 71 2HB ASP 71 -1.804 -8.432 -5.366 529 H LYS 72 H LYS 72 -0.760 -7.808 -7.523 530 HA LYS 72 HA LYS 72 1.891 -8.961 -7.971 531 HB2 LYS 72 1HB LYS 72 -0.796 -9.327 -9.253 532 HB3 LYS 72 2HB LYS 72 0.661 -9.795 -10.119 533 HG2 LYS 72 1HG LYS 72 0.162 -10.779 -7.339 534 HG3 LYS 72 2HG LYS 72 -0.596 -11.562 -8.728 535 HD2 LYS 72 1HD LYS 72 2.366 -11.064 -8.584 536 HD3 LYS 72 2HD LYS 72 1.624 -12.523 -7.923 537 HE2 LYS 72 1HE LYS 72 0.950 -13.276 -10.018 538 HE3 LYS 72 2HE LYS 72 1.072 -11.673 -10.741 539 HZ1 LYS 72 3HZ LYS 72 3.036 -13.710 -10.578 540 HZ2 LYS 72 1HZ LYS 72 3.606 -12.293 -9.849 541 HZ3 LYS 72 2HZ LYS 72 3.071 -12.262 -11.453 542 H GLU 73 H GLU 73 -0.063 -6.283 -8.879 543 HA GLU 73 HA GLU 73 0.837 -5.633 -11.402 544 HB2 GLU 73 1HB GLU 73 0.155 -3.845 -9.069 545 HB3 GLU 73 2HB GLU 73 0.484 -3.230 -10.682 546 HG2 GLU 73 1HG GLU 73 -1.762 -5.040 -9.839 547 HG3 GLU 73 2HG GLU 73 -1.875 -3.374 -10.404 548 H GLU 74 H GLU 74 2.543 -4.412 -12.225 549 HA GLU 74 HA GLU 74 5.013 -4.673 -10.757 550 HB2 GLU 74 1HB GLU 74 4.507 -3.461 -13.480 551 HB3 GLU 74 2HB GLU 74 6.078 -3.875 -12.808 552 HG2 GLU 74 1HG GLU 74 3.886 -5.719 -13.690 553 HG3 GLU 74 2HG GLU 74 5.538 -5.605 -14.295 554 H HIS 75 H HIS 75 6.594 -2.760 -10.900 555 HA HIS 75 HA HIS 75 5.618 -0.673 -9.305 556 HB2 HIS 75 1HB HIS 75 7.924 -1.085 -9.138 557 HB3 HIS 75 2HB HIS 75 8.150 -1.049 -10.884 558 HD1 HIS 75 1HD HIS 75 6.789 1.512 -8.406 559 HD2 HIS 75 2HD HIS 75 9.558 1.167 -11.483 560 HE1 HIS 75 1HE HIS 75 7.800 3.800 -8.659 561 HE2 HIS 75 2HE HIS 75 9.411 3.587 -10.584 562 H ALA 76 H ALA 76 6.164 -0.885 -12.785 563 HA ALA 76 HA ALA 76 5.710 1.826 -13.395 564 HB1 ALA 76 3HB ALA 76 6.760 0.511 -15.045 565 HB2 ALA 76 1HB ALA 76 5.463 -0.684 -15.030 566 HB3 ALA 76 2HB ALA 76 5.176 0.922 -15.702 567 H GLN 77 H GLN 77 3.545 -0.864 -12.848 568 HA GLN 77 HA GLN 77 1.218 0.381 -13.926 569 HB2 GLN 77 1HB GLN 77 1.650 -1.970 -12.095 570 HB3 GLN 77 2HB GLN 77 0.038 -1.411 -12.523 571 HG2 GLN 77 1HG GLN 77 2.061 -2.087 -14.624 572 HG3 GLN 77 2HG GLN 77 1.060 -3.328 -13.872 573 HE21 GLN 77 1HE2 GLN 77 1.248 -0.943 -16.254 574 HE22 GLN 77 2HE2 GLN 77 -0.396 -0.989 -16.781 575 H VAL 78 H VAL 78 2.477 -0.034 -10.631 576 HA VAL 78 HA VAL 78 0.346 1.331 -9.352 577 HB VAL 78 HB VAL 78 3.174 0.877 -8.389 578 HG11 VAL 78 1HG1 VAL 78 1.764 2.711 -7.279 579 HG12 VAL 78 2HG1 VAL 78 0.782 1.385 -6.652 580 HG13 VAL 78 3HG1 VAL 78 2.495 1.487 -6.241 581 HG21 VAL 78 3HG2 VAL 78 1.440 -0.781 -6.999 582 HG22 VAL 78 1HG2 VAL 78 0.877 -0.866 -8.668 583 HG23 VAL 78 2HG2 VAL 78 2.552 -1.262 -8.281 584 H VAL 79 H VAL 79 3.723 2.371 -9.875 585 HA VAL 79 HA VAL 79 3.750 4.897 -9.024 586 HB VAL 79 HB VAL 79 5.616 3.839 -10.259 587 HG11 VAL 79 1HG1 VAL 79 5.707 3.888 -12.663 588 HG12 VAL 79 2HG1 VAL 79 4.251 3.025 -12.164 589 HG13 VAL 79 3HG1 VAL 79 4.138 4.687 -12.746 590 HG21 VAL 79 3HG2 VAL 79 6.337 5.944 -11.472 591 HG22 VAL 79 1HG2 VAL 79 4.758 6.610 -11.055 592 HG23 VAL 79 2HG2 VAL 79 5.882 6.138 -9.779 593 H GLU 80 H GLU 80 2.258 3.883 -12.078 594 HA GLU 80 HA GLU 80 1.470 6.466 -12.907 595 HB2 GLU 80 1HB GLU 80 1.572 4.660 -14.503 596 HB3 GLU 80 2HB GLU 80 0.379 3.736 -13.601 597 HG2 GLU 80 1HG GLU 80 -1.324 5.385 -14.119 598 HG3 GLU 80 2HG GLU 80 -0.134 6.365 -14.975 599 H LEU 81 H LEU 81 -0.389 3.851 -11.355 600 HA LEU 81 HA LEU 81 -2.821 5.131 -11.109 601 HB2 LEU 81 1HB LEU 81 -1.497 3.212 -9.199 602 HB3 LEU 81 2HB LEU 81 -3.197 3.673 -9.131 603 HG LEU 81 HG LEU 81 -2.150 2.494 -11.658 604 HD11 LEU 81 1HD1 LEU 81 -2.213 1.134 -9.057 605 HD12 LEU 81 2HD1 LEU 81 -1.344 0.726 -10.535 606 HD13 LEU 81 3HD1 LEU 81 -3.044 0.290 -10.363 607 HD21 LEU 81 3HD2 LEU 81 -4.503 3.393 -11.256 608 HD22 LEU 81 1HD2 LEU 81 -4.741 1.979 -10.228 609 HD23 LEU 81 2HD2 LEU 81 -4.364 1.772 -11.939 610 H VAL 82 H VAL 82 0.028 5.381 -9.044 611 HA VAL 82 HA VAL 82 -1.192 6.945 -7.015 612 HB VAL 82 HB VAL 82 1.738 6.906 -7.741 613 HG11 VAL 82 1HG1 VAL 82 0.394 7.385 -5.085 614 HG12 VAL 82 2HG1 VAL 82 2.115 7.525 -5.451 615 HG13 VAL 82 3HG1 VAL 82 0.965 8.662 -6.158 616 HG21 VAL 82 3HG2 VAL 82 0.691 4.625 -7.430 617 HG22 VAL 82 1HG2 VAL 82 2.031 5.013 -6.350 618 HG23 VAL 82 2HG2 VAL 82 0.371 5.096 -5.761 619 H ARG 83 H ARG 83 0.389 7.708 -10.048 620 HA ARG 83 HA ARG 83 0.642 10.505 -9.566 621 HB2 ARG 83 1HB ARG 83 1.832 8.964 -11.322 622 HB3 ARG 83 2HB ARG 83 0.440 9.355 -12.323 623 HG2 ARG 83 1HG ARG 83 1.902 11.587 -11.019 624 HG3 ARG 83 2HG ARG 83 2.648 10.784 -12.402 625 HD2 ARG 83 1HD ARG 83 0.767 11.286 -13.791 626 HD3 ARG 83 2HD ARG 83 -0.159 11.878 -12.413 627 HE ARG 83 HE ARG 83 1.679 13.361 -13.971 628 HH11 ARG 83 1HH1 ARG 83 0.588 12.925 -10.694 629 HH12 ARG 83 2HH1 ARG 83 0.993 14.537 -10.206 630 HH21 ARG 83 1HH2 ARG 83 2.217 15.486 -13.341 631 HH22 ARG 83 2HH2 ARG 83 1.918 15.994 -11.713 632 H LYS 84 H LYS 84 -1.561 8.657 -11.679 633 HA LYS 84 HA LYS 84 -3.193 10.744 -12.476 634 HB2 LYS 84 1HB LYS 84 -4.855 9.081 -13.020 635 HB3 LYS 84 2HB LYS 84 -3.262 8.435 -13.392 636 HG2 LYS 84 1HG LYS 84 -3.304 7.201 -11.251 637 HG3 LYS 84 2HG LYS 84 -4.948 7.785 -10.984 638 HD2 LYS 84 1HD LYS 84 -4.258 6.356 -13.520 639 HD3 LYS 84 2HD LYS 84 -4.567 5.438 -12.044 640 HE2 LYS 84 1HE LYS 84 -6.748 6.595 -11.839 641 HE3 LYS 84 2HE LYS 84 -6.437 7.392 -13.381 642 HZ1 LYS 84 3HZ LYS 84 -6.319 5.191 -14.420 643 HZ2 LYS 84 1HZ LYS 84 -7.827 5.471 -13.707 644 HZ3 LYS 84 2HZ LYS 84 -6.703 4.467 -12.939 645 H SER 85 H SER 85 -3.264 8.866 -9.505 646 HA SER 85 HA SER 85 -5.659 9.327 -8.391 647 HB2 SER 85 1HB SER 85 -2.967 9.687 -7.059 648 HB3 SER 85 2HB SER 85 -4.493 9.592 -6.179 649 HG SER 85 HG SER 85 -3.112 7.582 -6.648 650 H GLY 86 H GLY 86 -3.019 11.722 -8.381 651 HA2 GLY 86 1HA GLY 86 -3.660 14.033 -8.967 652 HA3 GLY 86 2HA GLY 86 -5.073 13.803 -7.949 653 H ASN 87 H ASN 87 -4.766 15.316 -6.407 654 HA ASN 87 HA ASN 87 -2.178 15.722 -5.196 655 HB2 ASN 87 1HB ASN 87 -4.854 16.880 -4.387 656 HB3 ASN 87 2HB ASN 87 -3.265 17.464 -3.902 657 HD21 ASN 87 1HD2 ASN 87 -1.884 18.346 -5.554 658 HD22 ASN 87 2HD2 ASN 87 -2.586 19.105 -6.938 659 H SER 88 H SER 88 -5.301 14.359 -4.239 660 HA SER 88 HA SER 88 -4.096 13.425 -1.729 661 HB2 SER 88 1HB SER 88 -6.292 13.214 -0.848 662 HB3 SER 88 2HB SER 88 -6.284 14.740 -1.731 663 HG SER 88 HG SER 88 -7.898 12.686 -2.078 664 H VAL 89 H VAL 89 -3.607 11.349 -1.450 665 HA VAL 89 HA VAL 89 -4.869 9.347 -3.198 666 HB VAL 89 HB VAL 89 -1.952 9.254 -2.439 667 HG11 VAL 89 1HG1 VAL 89 -3.260 7.148 -3.032 668 HG12 VAL 89 2HG1 VAL 89 -3.343 7.800 -4.670 669 HG13 VAL 89 3HG1 VAL 89 -1.777 7.454 -3.936 670 HG21 VAL 89 3HG2 VAL 89 -1.783 11.007 -3.868 671 HG22 VAL 89 1HG2 VAL 89 -1.864 9.722 -5.073 672 HG23 VAL 89 2HG2 VAL 89 -3.312 10.643 -4.669 673 H THR 90 H THR 90 -5.407 7.445 -2.245 674 HA THR 90 HA THR 90 -4.961 7.269 0.653 675 HB THR 90 HB THR 90 -6.986 5.760 -1.010 676 HG1 THR 90 1HG THR 90 -8.459 7.297 -0.017 677 HG21 THR 90 3HG2 THR 90 -7.829 4.894 0.944 678 HG22 THR 90 1HG2 THR 90 -7.218 6.224 1.926 679 HG23 THR 90 2HG2 THR 90 -6.116 4.971 1.353 680 H LEU 91 H LEU 91 -3.972 5.545 1.580 681 HA LEU 91 HA LEU 91 -3.189 3.302 -0.148 682 HB2 LEU 91 1HB LEU 91 -1.377 4.761 1.770 683 HB3 LEU 91 2HB LEU 91 -0.960 3.298 0.880 684 HG LEU 91 HG LEU 91 -1.650 5.911 -0.452 685 HD11 LEU 91 1HD1 LEU 91 0.723 6.269 -0.743 686 HD12 LEU 91 2HD1 LEU 91 1.084 4.790 0.147 687 HD13 LEU 91 3HD1 LEU 91 0.341 6.158 0.976 688 HD21 LEU 91 3HD2 LEU 91 -0.211 4.691 -2.253 689 HD22 LEU 91 1HD2 LEU 91 -1.915 4.279 -2.056 690 HD23 LEU 91 2HD2 LEU 91 -0.671 3.240 -1.361 691 H LEU 92 H LEU 92 -3.268 1.322 0.788 692 HA LEU 92 HA LEU 92 -4.172 1.230 3.585 693 HB2 LEU 92 1HB LEU 92 -4.626 -0.590 1.243 694 HB3 LEU 92 2HB LEU 92 -4.922 -1.118 2.898 695 HG LEU 92 HG LEU 92 -6.279 1.252 1.622 696 HD11 LEU 92 1HD1 LEU 92 -7.512 -0.196 0.478 697 HD12 LEU 92 2HD1 LEU 92 -8.134 -0.784 2.020 698 HD13 LEU 92 3HD1 LEU 92 -6.745 -1.572 1.271 699 HD21 LEU 92 3HD2 LEU 92 -7.272 1.595 3.590 700 HD22 LEU 92 1HD2 LEU 92 -6.018 0.560 4.274 701 HD23 LEU 92 2HD2 LEU 92 -7.581 -0.126 3.829 702 H VAL 93 H VAL 93 -2.512 0.850 4.907 703 HA VAL 93 HA VAL 93 -0.434 -1.053 4.072 704 HB VAL 93 HB VAL 93 0.946 -0.120 5.860 705 HG11 VAL 93 1HG1 VAL 93 0.749 0.923 3.530 706 HG12 VAL 93 2HG1 VAL 93 -0.168 2.205 4.324 707 HG13 VAL 93 3HG1 VAL 93 1.501 1.889 4.799 708 HG21 VAL 93 3HG2 VAL 93 -0.495 2.231 6.527 709 HG22 VAL 93 1HG2 VAL 93 -1.547 0.846 6.819 710 HG23 VAL 93 2HG2 VAL 93 0.035 0.929 7.592 711 H LEU 94 H LEU 94 -0.111 -2.929 5.127 712 HA LEU 94 HA LEU 94 -1.878 -3.507 7.408 713 HB2 LEU 94 1HB LEU 94 -2.150 -4.826 5.275 714 HB3 LEU 94 2HB LEU 94 -0.557 -5.511 5.593 715 HG LEU 94 HG LEU 94 -1.564 -6.284 7.831 716 HD11 LEU 94 1HD1 LEU 94 -4.154 -6.081 6.334 717 HD12 LEU 94 2HD1 LEU 94 -3.623 -4.813 7.437 718 HD13 LEU 94 3HD1 LEU 94 -3.882 -6.451 8.037 719 HD21 LEU 94 3HD2 LEU 94 -2.984 -7.972 6.081 720 HD22 LEU 94 1HD2 LEU 94 -1.372 -8.213 6.755 721 HD23 LEU 94 2HD2 LEU 94 -1.566 -7.403 5.200 722 H ASP 95 H ASP 95 -1.060 -4.780 9.143 723 HA ASP 95 HA ASP 95 1.609 -4.094 9.884 724 HB2 ASP 95 1HB ASP 95 -0.413 -5.923 11.195 725 HB3 ASP 95 2HB ASP 95 1.122 -5.453 11.920 726 H GLY 96 H GLY 96 3.435 -5.181 9.544 727 HA2 GLY 96 1HA GLY 96 3.847 -7.228 7.848 728 HA3 GLY 96 2HA GLY 96 4.864 -6.984 9.260 729 H ASP 97 H ASP 97 3.151 -7.651 11.306 730 HA ASP 97 HA ASP 97 3.391 -10.406 11.458 731 HB2 ASP 97 1HB ASP 97 1.565 -8.505 12.930 732 HB3 ASP 97 2HB ASP 97 1.679 -10.217 13.329 733 H SER 98 H SER 98 0.439 -8.524 10.792 734 HA SER 98 HA SER 98 -1.248 -10.724 10.366 735 HB2 SER 98 1HB SER 98 -1.400 -7.899 9.293 736 HB3 SER 98 2HB SER 98 -2.698 -9.083 9.141 737 HG SER 98 HG SER 98 -1.614 -7.994 11.524 738 H TYR 99 H TYR 99 0.538 -8.718 8.033 739 HA TYR 99 HA TYR 99 -0.277 -9.947 5.692 740 HB2 TYR 99 1HB TYR 99 1.223 -7.875 6.035 741 HB3 TYR 99 2HB TYR 99 2.558 -9.020 6.091 742 HD1 TYR 99 2HD TYR 99 2.569 -10.757 4.070 743 HD2 TYR 99 1HD TYR 99 0.692 -6.940 3.994 744 HE1 TYR 99 2HE TYR 99 2.676 -10.760 1.613 745 HE2 TYR 99 1HE TYR 99 0.793 -6.932 1.537 746 HH TYR 99 HH TYR 99 1.690 -9.742 -0.273 747 H GLU 100 H GLU 100 2.749 -10.641 7.457 748 HA GLU 100 HA GLU 100 3.551 -12.845 5.996 749 HB2 GLU 100 1HB GLU 100 3.926 -12.320 8.949 750 HB3 GLU 100 2HB GLU 100 4.812 -13.526 8.027 751 HG2 GLU 100 1HG GLU 100 5.644 -11.674 6.568 752 HG3 GLU 100 2HG GLU 100 4.911 -10.540 7.702 753 H LYS 101 H LYS 101 1.565 -12.805 8.948 754 HA LYS 101 HA LYS 101 1.172 -15.528 9.243 755 HB2 LYS 101 1HB LYS 101 0.409 -13.517 10.717 756 HB3 LYS 101 2HB LYS 101 -1.063 -13.593 9.758 757 HG2 LYS 101 1HG LYS 101 -1.697 -15.615 10.634 758 HG3 LYS 101 2HG LYS 101 -0.042 -16.083 11.033 759 HD2 LYS 101 1HD LYS 101 -1.507 -13.849 12.423 760 HD3 LYS 101 2HD LYS 101 -1.521 -15.518 12.996 761 HE2 LYS 101 1HE LYS 101 1.101 -15.231 12.756 762 HE3 LYS 101 2HE LYS 101 0.690 -13.529 12.963 763 HZ1 LYS 101 3HZ LYS 101 1.206 -14.866 15.040 764 HZ2 LYS 101 1HZ LYS 101 -0.303 -15.600 14.824 765 HZ3 LYS 101 2HZ LYS 101 -0.203 -13.929 15.066 766 H ALA 102 H ALA 102 -1.056 -13.256 7.624 767 HA ALA 102 HA ALA 102 -2.904 -15.008 6.642 768 HB1 ALA 102 3HB ALA 102 -3.687 -13.154 5.709 769 HB2 ALA 102 1HB ALA 102 -2.192 -12.330 6.153 770 HB3 ALA 102 2HB ALA 102 -2.334 -13.113 4.578 771 H VAL 103 H VAL 103 0.020 -13.962 4.881 772 HA VAL 103 HA VAL 103 -0.180 -15.465 2.617 773 HB VAL 103 HB VAL 103 2.333 -14.958 4.215 774 HG11 VAL 103 1HG1 VAL 103 2.187 -15.557 1.274 775 HG12 VAL 103 2HG1 VAL 103 3.607 -15.525 2.322 776 HG13 VAL 103 3HG1 VAL 103 2.421 -16.821 2.481 777 HG21 VAL 103 3HG2 VAL 103 2.625 -13.011 2.910 778 HG22 VAL 103 1HG2 VAL 103 1.339 -13.474 1.795 779 HG23 VAL 103 2HG2 VAL 103 0.944 -12.982 3.442 780 H LYS 104 H LYS 104 1.069 -16.550 5.754 781 HA LYS 104 HA LYS 104 1.801 -19.145 4.941 782 HB2 LYS 104 1HB LYS 104 2.652 -18.241 7.005 783 HB3 LYS 104 2HB LYS 104 1.026 -18.053 7.649 784 HG2 LYS 104 1HG LYS 104 1.621 -19.967 8.709 785 HG3 LYS 104 2HG LYS 104 0.951 -20.664 7.232 786 HD2 LYS 104 1HD LYS 104 3.866 -19.981 7.463 787 HD3 LYS 104 2HD LYS 104 3.231 -21.521 8.048 788 HE2 LYS 104 1HE LYS 104 2.135 -21.573 5.644 789 HE3 LYS 104 2HE LYS 104 3.473 -20.489 5.266 790 HZ1 LYS 104 3HZ LYS 104 3.589 -23.201 5.293 791 HZ2 LYS 104 1HZ LYS 104 4.289 -22.785 6.776 792 HZ3 LYS 104 2HZ LYS 104 4.921 -22.160 5.337 793 H ASN 105 H ASN 105 -1.169 -17.908 6.450 794 HA ASN 105 HA ASN 105 -2.456 -20.494 6.238 795 HB2 ASN 105 1HB ASN 105 -3.699 -17.859 7.044 796 HB3 ASN 105 2HB ASN 105 -4.319 -19.475 7.369 797 HD21 ASN 105 1HD2 ASN 105 -2.463 -16.929 8.522 798 HD22 ASN 105 2HD2 ASN 105 -1.765 -17.721 9.889 799 H GLN 106 H GLN 106 -1.604 -18.792 3.856 800 HA GLN 106 HA GLN 106 -2.495 -17.952 1.893 801 HB2 GLN 106 1HB GLN 106 -3.610 -20.709 2.303 802 HB3 GLN 106 2HB GLN 106 -3.986 -19.801 0.844 803 HG2 GLN 106 1HG GLN 106 -1.550 -19.573 0.427 804 HG3 GLN 106 2HG GLN 106 -1.260 -20.629 1.809 805 HE21 GLN 106 1HE2 GLN 106 -1.999 -22.804 1.697 806 HE22 GLN 106 2HE2 GLN 106 -2.212 -23.581 0.169 807 H VAL 107 H VAL 107 -3.790 -16.587 3.787 808 HA VAL 107 HA VAL 107 -6.661 -16.900 3.453 809 HB VAL 107 HB VAL 107 -5.049 -14.913 5.056 810 HG11 VAL 107 1HG1 VAL 107 -7.075 -14.070 5.958 811 HG12 VAL 107 2HG1 VAL 107 -7.258 -14.051 4.203 812 HG13 VAL 107 3HG1 VAL 107 -8.029 -15.318 5.158 813 HG21 VAL 107 3HG2 VAL 107 -5.178 -16.329 6.784 814 HG22 VAL 107 1HG2 VAL 107 -6.861 -16.732 6.442 815 HG23 VAL 107 2HG2 VAL 107 -5.564 -17.557 5.578 816 H ASP 108 H ASP 108 -7.945 -15.655 2.213 817 HA ASP 108 HA ASP 108 -6.984 -14.266 0.029 818 HB2 ASP 108 1HB ASP 108 -9.609 -13.553 1.315 819 HB3 ASP 108 2HB ASP 108 -9.202 -13.601 -0.398 820 H LEU 109 H LEU 109 -5.989 -12.383 -0.198 821 HA LEU 109 HA LEU 109 -5.991 -10.494 2.028 822 HB2 LEU 109 1HB LEU 109 -4.301 -10.764 -0.443 823 HB3 LEU 109 2HB LEU 109 -4.202 -9.366 0.625 824 HG LEU 109 HG LEU 109 -3.693 -12.196 1.529 825 HD11 LEU 109 1HD1 LEU 109 -2.080 -11.533 -0.202 826 HD12 LEU 109 2HD1 LEU 109 -1.329 -11.694 1.385 827 HD13 LEU 109 3HD1 LEU 109 -1.684 -10.093 0.736 828 HD21 LEU 109 3HD2 LEU 109 -2.875 -11.254 3.511 829 HD22 LEU 109 1HD2 LEU 109 -4.358 -10.360 3.176 830 HD23 LEU 109 2HD2 LEU 109 -2.791 -9.636 2.813 831 H LYS 110 H LYS 110 -6.884 -10.716 -1.367 832 HA LYS 110 HA LYS 110 -7.372 -8.105 -2.031 833 HB2 LYS 110 1HB LYS 110 -8.686 -10.680 -2.779 834 HB3 LYS 110 2HB LYS 110 -9.433 -9.175 -3.299 835 HG2 LYS 110 1HG LYS 110 -7.294 -8.534 -4.367 836 HG3 LYS 110 2HG LYS 110 -6.643 -10.115 -3.929 837 HD2 LYS 110 1HD LYS 110 -8.508 -11.160 -5.214 838 HD3 LYS 110 2HD LYS 110 -8.976 -9.547 -5.754 839 HE2 LYS 110 1HE LYS 110 -7.654 -10.429 -7.489 840 HE3 LYS 110 2HE LYS 110 -6.603 -9.310 -6.622 841 HZ1 LYS 110 3HZ LYS 110 -5.252 -11.125 -6.821 842 HZ2 LYS 110 1HZ LYS 110 -6.520 -12.241 -6.716 843 HZ3 LYS 110 2HZ LYS 110 -5.963 -11.460 -5.323 844 H GLU 111 H GLU 111 -9.344 -10.224 -0.029 845 HA GLU 111 HA GLU 111 -11.655 -8.674 0.139 846 HB2 GLU 111 1HB GLU 111 -10.431 -10.419 2.283 847 HB3 GLU 111 2HB GLU 111 -12.096 -9.856 2.247 848 HG2 GLU 111 1HG GLU 111 -12.246 -11.050 -0.014 849 HG3 GLU 111 2HG GLU 111 -10.755 -11.855 0.470 850 H LEU 112 H LEU 112 -8.600 -8.425 1.853 851 HA LEU 112 HA LEU 112 -9.207 -6.778 3.950 852 HB2 LEU 112 1HB LEU 112 -6.813 -6.442 2.151 853 HB3 LEU 112 2HB LEU 112 -6.948 -5.939 3.835 854 HG LEU 112 HG LEU 112 -7.154 -8.827 3.036 855 HD11 LEU 112 1HD1 LEU 112 -4.789 -7.103 3.043 856 HD12 LEU 112 2HD1 LEU 112 -5.041 -8.686 2.309 857 HD13 LEU 112 3HD1 LEU 112 -4.630 -8.563 4.020 858 HD21 LEU 112 3HD2 LEU 112 -6.673 -7.301 5.569 859 HD22 LEU 112 1HD2 LEU 112 -6.168 -8.983 5.409 860 HD23 LEU 112 2HD2 LEU 112 -7.870 -8.553 5.233 861 H ASP 113 H ASP 113 -10.702 -5.199 3.736 862 HA ASP 113 HA ASP 113 -9.920 -2.824 2.275 863 HB2 ASP 113 1HB ASP 113 -12.226 -2.663 1.214 864 HB3 ASP 113 2HB ASP 113 -11.131 -3.850 0.511 865 H GLN 114 H GLN 114 -9.971 -1.434 3.925 866 HA GLN 114 HA GLN 114 -11.222 -1.470 6.287 867 HB2 GLN 114 1HB GLN 114 -11.042 0.890 6.412 868 HB3 GLN 114 2HB GLN 114 -9.730 0.357 5.370 869 HG2 GLN 114 1HG GLN 114 -12.273 1.748 4.617 870 HG3 GLN 114 2HG GLN 114 -10.608 2.247 4.321 871 HE21 GLN 114 1HE2 GLN 114 -13.268 1.156 2.845 872 HE22 GLN 114 2HE2 GLN 114 -12.566 0.325 1.503 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -20.813 -15.000 22.188 2 HA2 GLY 1 1HA GLY 1 -23.473 -14.072 22.168 3 HA3 GLY 1 2HA GLY 1 -22.507 -13.040 21.124 4 H SER 2 H SER 2 -23.506 -13.666 19.228 5 HA SER 2 HA SER 2 -23.003 -16.453 18.408 6 HB2 SER 2 1HB SER 2 -24.996 -16.188 16.895 7 HB3 SER 2 2HB SER 2 -25.383 -16.166 18.615 8 HG SER 2 HG SER 2 -26.395 -14.397 18.023 9 H SER 3 H SER 3 -21.219 -16.324 17.183 10 HA SER 3 HA SER 3 -20.279 -14.188 15.725 11 HB2 SER 3 1HB SER 3 -18.889 -15.765 14.516 12 HB3 SER 3 2HB SER 3 -19.014 -16.286 16.196 13 HG SER 3 HG SER 3 -20.638 -17.283 14.094 14 H GLY 4 H GLY 4 -20.146 -13.893 13.367 15 HA2 GLY 4 1HA GLY 4 -22.239 -15.061 11.746 16 HA3 GLY 4 2HA GLY 4 -22.486 -13.364 12.129 17 H SER 5 H SER 5 -20.479 -15.666 10.426 18 HA SER 5 HA SER 5 -19.483 -13.461 8.759 19 HB2 SER 5 1HB SER 5 -17.895 -15.548 10.190 20 HB3 SER 5 2HB SER 5 -17.343 -15.017 8.602 21 HG SER 5 HG SER 5 -17.066 -12.987 9.365 22 H SER 6 H SER 6 -19.485 -13.843 6.606 23 HA SER 6 HA SER 6 -20.792 -16.263 5.697 24 HB2 SER 6 1HB SER 6 -21.504 -14.113 4.769 25 HB3 SER 6 2HB SER 6 -19.872 -13.814 4.170 26 HG SER 6 HG SER 6 -21.688 -14.873 2.786 27 H GLY 7 H GLY 7 -19.161 -17.817 6.090 28 HA2 GLY 7 1HA GLY 7 -17.292 -19.071 5.610 29 HA3 GLY 7 2HA GLY 7 -17.605 -18.570 3.955 30 H MET 8 H MET 8 -16.589 -16.628 6.746 31 HA MET 8 HA MET 8 -14.261 -15.767 5.173 32 HB2 MET 8 1HB MET 8 -15.846 -14.455 7.365 33 HB3 MET 8 2HB MET 8 -14.227 -13.900 6.960 34 HG2 MET 8 1HG MET 8 -16.535 -14.055 5.035 35 HG3 MET 8 2HG MET 8 -15.996 -12.597 5.864 36 HE1 MET 8 3HE MET 8 -15.393 -11.817 2.459 37 HE2 MET 8 1HE MET 8 -15.399 -13.507 1.956 38 HE3 MET 8 2HE MET 8 -16.606 -12.924 3.102 39 H ALA 9 H ALA 9 -12.697 -17.239 5.652 40 HA ALA 9 HA ALA 9 -12.209 -18.606 7.965 41 HB1 ALA 9 3HB ALA 9 -9.947 -17.465 6.355 42 HB2 ALA 9 1HB ALA 9 -10.041 -19.019 7.184 43 HB3 ALA 9 2HB ALA 9 -10.991 -18.739 5.724 44 H SER 10 H SER 10 -10.702 -15.485 7.107 45 HA SER 10 HA SER 10 -10.826 -14.607 9.851 46 HB2 SER 10 1HB SER 10 -8.119 -14.992 8.549 47 HB3 SER 10 2HB SER 10 -8.420 -14.289 10.138 48 HG SER 10 HG SER 10 -8.856 -16.229 10.939 49 H THR 11 H THR 11 -9.551 -12.418 10.013 50 HA THR 11 HA THR 11 -9.446 -10.917 7.546 51 HB THR 11 HB THR 11 -11.836 -10.796 8.005 52 HG1 THR 11 1HG THR 11 -11.908 -8.666 7.667 53 HG21 THR 11 3HG2 THR 11 -11.995 -11.195 10.333 54 HG22 THR 11 1HG2 THR 11 -12.558 -9.542 10.093 55 HG23 THR 11 2HG2 THR 11 -10.934 -9.840 10.715 56 H PHE 12 H PHE 12 -8.139 -9.153 7.694 57 HA PHE 12 HA PHE 12 -6.929 -8.655 10.326 58 HB2 PHE 12 1HB PHE 12 -5.859 -8.147 7.543 59 HB3 PHE 12 2HB PHE 12 -5.028 -7.695 9.028 60 HD1 PHE 12 2HD PHE 12 -6.149 -10.513 6.953 61 HD2 PHE 12 1HD PHE 12 -3.878 -9.310 10.346 62 HE1 PHE 12 2HE PHE 12 -5.118 -12.744 7.050 63 HE2 PHE 12 1HE PHE 12 -2.843 -11.540 10.448 64 HZ PHE 12 HZ PHE 12 -3.463 -13.261 8.799 65 H ASN 13 H ASN 13 -6.418 -6.481 10.934 66 HA ASN 13 HA ASN 13 -8.313 -4.537 9.807 67 HB2 ASN 13 1HB ASN 13 -8.169 -3.369 11.943 68 HB3 ASN 13 2HB ASN 13 -8.583 -5.060 12.208 69 HD21 ASN 13 1HD2 ASN 13 -6.901 -2.679 13.493 70 HD22 ASN 13 2HD2 ASN 13 -5.575 -3.541 14.189 71 HA PRO 14 HA PRO 14 -4.339 -2.908 8.248 72 HB2 PRO 14 1HB PRO 14 -5.456 -1.673 6.103 73 HB3 PRO 14 2HB PRO 14 -5.027 -3.387 6.108 74 HG2 PRO 14 1HG PRO 14 -7.696 -2.101 6.538 75 HG3 PRO 14 2HG PRO 14 -7.287 -3.536 5.580 76 HD2 PRO 14 1HD PRO 14 -8.357 -3.698 8.062 77 HD3 PRO 14 2HD PRO 14 -7.221 -4.908 7.431 78 H ARG 15 H ARG 15 -3.930 -0.554 7.396 79 HA ARG 15 HA ARG 15 -5.519 1.352 8.974 80 HB2 ARG 15 1HB ARG 15 -3.376 0.730 10.129 81 HB3 ARG 15 2HB ARG 15 -2.507 1.417 8.763 82 HG2 ARG 15 1HG ARG 15 -4.017 3.516 9.336 83 HG3 ARG 15 2HG ARG 15 -4.009 2.763 10.932 84 HD2 ARG 15 1HD ARG 15 -1.554 3.437 9.316 85 HD3 ARG 15 2HD ARG 15 -2.196 4.413 10.637 86 HE ARG 15 HE ARG 15 -1.856 2.029 11.816 87 HH11 ARG 15 1HH1 ARG 15 0.240 3.955 9.812 88 HH12 ARG 15 2HH1 ARG 15 1.695 3.384 10.559 89 HH21 ARG 15 1HH2 ARG 15 0.053 1.269 12.808 90 HH22 ARG 15 2HH2 ARG 15 1.588 1.856 12.262 91 H GLU 16 H GLU 16 -6.362 2.815 7.656 92 HA GLU 16 HA GLU 16 -5.376 3.222 5.001 93 HB2 GLU 16 1HB GLU 16 -7.670 3.466 5.084 94 HB3 GLU 16 2HB GLU 16 -7.632 4.301 6.630 95 HG2 GLU 16 1HG GLU 16 -6.644 5.527 4.072 96 HG3 GLU 16 2HG GLU 16 -8.300 5.691 4.654 97 H CYS 17 H CYS 17 -4.642 5.219 4.105 98 HA CYS 17 HA CYS 17 -3.714 7.267 5.953 99 HB2 CYS 17 1HB CYS 17 -1.837 5.725 4.150 100 HB3 CYS 17 2HB CYS 17 -1.408 7.191 5.023 101 HG CYS 17 HG CYS 17 -2.351 5.644 7.477 102 H LYS 18 H LYS 18 -4.316 9.137 5.110 103 HA LYS 18 HA LYS 18 -4.670 9.358 2.212 104 HB2 LYS 18 1HB LYS 18 -5.783 10.784 4.583 105 HB3 LYS 18 2HB LYS 18 -5.674 11.665 3.065 106 HG2 LYS 18 1HG LYS 18 -6.908 8.964 3.031 107 HG3 LYS 18 2HG LYS 18 -7.827 10.301 3.726 108 HD2 LYS 18 1HD LYS 18 -7.150 11.540 1.534 109 HD3 LYS 18 2HD LYS 18 -6.874 9.909 0.919 110 HE2 LYS 18 1HE LYS 18 -9.089 10.406 0.331 111 HE3 LYS 18 2HE LYS 18 -9.222 9.377 1.756 112 HZ1 LYS 18 3HZ LYS 18 -9.062 12.078 2.549 113 HZ2 LYS 18 1HZ LYS 18 -10.318 10.972 2.800 114 HZ3 LYS 18 2HZ LYS 18 -10.288 11.912 1.395 115 H LEU 19 H LEU 19 -3.042 10.165 1.077 116 HA LEU 19 HA LEU 19 -1.216 12.074 2.366 117 HB2 LEU 19 1HB LEU 19 -0.904 10.010 0.260 118 HB3 LEU 19 2HB LEU 19 0.083 11.463 0.123 119 HG LEU 19 HG LEU 19 0.687 10.881 2.623 120 HD11 LEU 19 1HD1 LEU 19 -0.897 8.995 2.741 121 HD12 LEU 19 2HD1 LEU 19 0.771 8.506 3.042 122 HD13 LEU 19 3HD1 LEU 19 0.022 8.172 1.481 123 HD21 LEU 19 3HD2 LEU 19 2.462 11.003 1.165 124 HD22 LEU 19 1HD2 LEU 19 1.781 9.807 0.064 125 HD23 LEU 19 2HD2 LEU 19 2.489 9.293 1.595 126 H SER 20 H SER 20 -1.019 14.108 1.635 127 HA SER 20 HA SER 20 -2.316 14.802 -0.914 128 HB2 SER 20 1HB SER 20 -2.607 16.168 1.759 129 HB3 SER 20 2HB SER 20 -2.954 17.001 0.244 130 HG SER 20 HG SER 20 -4.694 15.800 -0.040 131 H LYS 21 H LYS 21 -1.086 15.955 -2.252 132 HA LYS 21 HA LYS 21 1.238 17.385 -1.142 133 HB2 LYS 21 1HB LYS 21 2.509 16.742 -3.165 134 HB3 LYS 21 2HB LYS 21 2.040 15.353 -2.193 135 HG2 LYS 21 1HG LYS 21 0.315 14.766 -3.723 136 HG3 LYS 21 2HG LYS 21 0.512 16.278 -4.613 137 HD2 LYS 21 1HD LYS 21 2.832 15.559 -5.180 138 HD3 LYS 21 2HD LYS 21 2.482 14.001 -4.427 139 HE2 LYS 21 1HE LYS 21 0.451 13.962 -6.034 140 HE3 LYS 21 2HE LYS 21 1.339 15.198 -6.923 141 HZ1 LYS 21 3HZ LYS 21 2.523 13.597 -7.857 142 HZ2 LYS 21 1HZ LYS 21 1.712 12.416 -6.957 143 HZ3 LYS 21 2HZ LYS 21 3.117 13.131 -6.343 144 H GLN 22 H GLN 22 2.128 19.019 -2.724 145 HA GLN 22 HA GLN 22 -0.098 20.585 -3.749 146 HB2 GLN 22 1HB GLN 22 2.837 21.251 -3.462 147 HB3 GLN 22 2HB GLN 22 1.601 22.374 -4.011 148 HG2 GLN 22 1HG GLN 22 0.488 22.254 -1.872 149 HG3 GLN 22 2HG GLN 22 1.638 21.040 -1.315 150 HE21 GLN 22 1HE2 GLN 22 1.128 24.393 -2.036 151 HE22 GLN 22 2HE2 GLN 22 2.572 24.985 -1.296 152 H GLU 23 H GLU 23 -0.268 21.340 -5.866 153 HA GLU 23 HA GLU 23 0.282 19.590 -7.917 154 HB2 GLU 23 1HB GLU 23 -0.152 21.485 -9.455 155 HB3 GLU 23 2HB GLU 23 -1.348 21.354 -8.173 156 HG2 GLU 23 1HG GLU 23 0.145 23.084 -6.951 157 HG3 GLU 23 2HG GLU 23 0.792 23.398 -8.560 158 H GLY 24 H GLY 24 2.301 18.819 -8.230 159 HA2 GLY 24 1HA GLY 24 4.258 19.201 -9.633 160 HA3 GLY 24 2HA GLY 24 4.374 20.804 -8.922 161 H GLN 25 H GLN 25 3.926 19.995 -6.213 162 HA GLN 25 HA GLN 25 6.588 19.311 -5.501 163 HB2 GLN 25 1HB GLN 25 4.858 20.715 -4.192 164 HB3 GLN 25 2HB GLN 25 4.253 19.167 -3.614 165 HG2 GLN 25 1HG GLN 25 5.865 20.307 -2.092 166 HG3 GLN 25 2HG GLN 25 6.308 18.663 -2.548 167 HE21 GLN 25 1HE2 GLN 25 8.435 18.575 -2.644 168 HE22 GLN 25 2HE2 GLN 25 9.462 19.708 -3.447 169 H ASN 26 H ASN 26 7.260 17.484 -4.210 170 HA ASN 26 HA ASN 26 6.025 15.020 -5.150 171 HB2 ASN 26 1HB ASN 26 8.541 15.495 -5.214 172 HB3 ASN 26 2HB ASN 26 8.520 15.240 -3.472 173 HD21 ASN 26 1HD2 ASN 26 9.314 13.321 -3.034 174 HD22 ASN 26 2HD2 ASN 26 8.958 11.854 -3.875 175 H TYR 27 H TYR 27 6.101 13.151 -3.487 176 HA TYR 27 HA TYR 27 4.495 14.003 -1.222 177 HB2 TYR 27 1HB TYR 27 5.001 11.425 -2.626 178 HB3 TYR 27 2HB TYR 27 4.511 11.354 -0.937 179 HD1 TYR 27 2HD TYR 27 2.434 12.976 -0.391 180 HD2 TYR 27 1HD TYR 27 3.328 11.313 -4.203 181 HE1 TYR 27 2HE TYR 27 0.083 13.256 -1.057 182 HE2 TYR 27 1HE TYR 27 0.980 11.590 -4.881 183 HH TYR 27 HH TYR 27 -0.987 13.280 -4.056 184 H GLY 28 H GLY 28 7.659 12.688 -1.891 185 HA2 GLY 28 1HA GLY 28 9.420 13.187 -0.282 186 HA3 GLY 28 2HA GLY 28 8.258 12.860 0.995 187 H PHE 29 H PHE 29 7.227 10.492 -0.496 188 HA PHE 29 HA PHE 29 9.418 8.660 0.210 189 HB2 PHE 29 1HB PHE 29 7.853 7.093 0.934 190 HB3 PHE 29 2HB PHE 29 7.125 8.616 1.433 191 HD1 PHE 29 1HD PHE 29 5.363 9.644 -0.090 192 HD2 PHE 29 2HD PHE 29 6.697 5.618 -0.443 193 HE1 PHE 29 1HE PHE 29 3.323 9.081 -1.345 194 HE2 PHE 29 2HE PHE 29 4.660 5.049 -1.699 195 HZ PHE 29 HZ PHE 29 2.970 6.782 -2.152 196 H PHE 30 H PHE 30 9.565 6.653 -1.042 197 HA PHE 30 HA PHE 30 8.653 6.990 -3.822 198 HB2 PHE 30 1HB PHE 30 11.356 6.044 -2.853 199 HB3 PHE 30 2HB PHE 30 10.807 5.912 -4.520 200 HD1 PHE 30 1HD PHE 30 10.343 7.986 -5.823 201 HD2 PHE 30 2HD PHE 30 12.212 8.065 -2.000 202 HE1 PHE 30 1HE PHE 30 11.162 10.261 -6.275 203 HE2 PHE 30 2HE PHE 30 13.033 10.341 -2.445 204 HZ PHE 30 HZ PHE 30 12.508 11.443 -4.584 205 H LEU 31 H LEU 31 8.623 4.944 -5.065 206 HA LEU 31 HA LEU 31 7.945 2.665 -3.324 207 HB2 LEU 31 1HB LEU 31 6.622 3.792 -5.737 208 HB3 LEU 31 2HB LEU 31 6.558 2.048 -5.489 209 HG LEU 31 HG LEU 31 5.684 3.936 -3.331 210 HD11 LEU 31 1HD1 LEU 31 3.916 4.614 -4.477 211 HD12 LEU 31 2HD1 LEU 31 3.439 2.939 -4.752 212 HD13 LEU 31 3HD1 LEU 31 4.501 3.753 -5.901 213 HD21 LEU 31 3HD2 LEU 31 4.645 2.102 -2.411 214 HD22 LEU 31 1HD2 LEU 31 6.064 1.355 -3.145 215 HD23 LEU 31 2HD2 LEU 31 4.502 1.269 -3.960 216 H ARG 32 H ARG 32 9.559 1.243 -3.427 217 HA ARG 32 HA ARG 32 10.538 0.460 -6.087 218 HB2 ARG 32 1HB ARG 32 12.798 0.132 -5.075 219 HB3 ARG 32 2HB ARG 32 12.285 1.813 -5.149 220 HG2 ARG 32 1HG ARG 32 12.066 1.992 -2.877 221 HG3 ARG 32 2HG ARG 32 11.769 0.266 -2.660 222 HD2 ARG 32 1HD ARG 32 13.992 -0.257 -2.660 223 HD3 ARG 32 2HD ARG 32 14.422 1.099 -3.701 224 HE ARG 32 HE ARG 32 13.529 1.918 -1.104 225 HH11 ARG 32 1HH1 ARG 32 16.263 0.796 -2.944 226 HH12 ARG 32 2HH1 ARG 32 17.434 1.511 -1.886 227 HH21 ARG 32 1HH2 ARG 32 15.061 2.864 0.296 228 HH22 ARG 32 2HH2 ARG 32 16.749 2.686 -0.042 229 H ILE 33 H ILE 33 10.964 -1.710 -6.376 230 HA ILE 33 HA ILE 33 10.066 -3.465 -4.188 231 HB ILE 33 HB ILE 33 9.433 -5.098 -5.858 232 HG12 ILE 33 1HG1 ILE 33 9.469 -4.073 -8.322 233 HG13 ILE 33 2HG1 ILE 33 10.867 -3.221 -7.674 234 HG21 ILE 33 1HG2 ILE 33 8.271 -2.500 -5.611 235 HG22 ILE 33 2HG2 ILE 33 8.021 -3.098 -7.251 236 HG23 ILE 33 3HG2 ILE 33 7.476 -4.052 -5.872 237 HD11 ILE 33 3HD1 ILE 33 10.538 -6.207 -7.582 238 HD12 ILE 33 1HD1 ILE 33 11.390 -5.343 -8.861 239 HD13 ILE 33 2HD1 ILE 33 11.983 -5.270 -7.201 240 H GLU 34 H GLU 34 11.090 -5.582 -4.036 241 HA GLU 34 HA GLU 34 13.855 -5.602 -5.047 242 HB2 GLU 34 1HB GLU 34 12.842 -6.003 -2.264 243 HB3 GLU 34 2HB GLU 34 14.263 -6.897 -2.786 244 HG2 GLU 34 1HG GLU 34 13.983 -3.903 -2.897 245 HG3 GLU 34 2HG GLU 34 14.797 -4.795 -1.614 246 H LYS 35 H LYS 35 14.844 -7.780 -5.048 247 HA LYS 35 HA LYS 35 13.060 -9.668 -6.249 248 HB2 LYS 35 1HB LYS 35 15.539 -9.225 -6.812 249 HB3 LYS 35 2HB LYS 35 15.895 -10.258 -5.434 250 HG2 LYS 35 1HG LYS 35 14.342 -11.958 -6.601 251 HG3 LYS 35 2HG LYS 35 14.601 -10.962 -8.035 252 HD2 LYS 35 1HD LYS 35 16.871 -12.036 -6.377 253 HD3 LYS 35 2HD LYS 35 16.167 -12.939 -7.721 254 HE2 LYS 35 1HE LYS 35 17.187 -10.126 -8.022 255 HE3 LYS 35 2HE LYS 35 18.229 -11.534 -8.224 256 HZ1 LYS 35 3HZ LYS 35 16.080 -12.119 -9.770 257 HZ2 LYS 35 1HZ LYS 35 17.548 -11.492 -10.330 258 HZ3 LYS 35 2HZ LYS 35 16.254 -10.453 -10.004 259 H ASP 36 H ASP 36 12.404 -11.662 -5.498 260 HA ASP 36 HA ASP 36 11.658 -13.161 -3.957 261 HB2 ASP 36 1HB ASP 36 14.465 -12.609 -3.057 262 HB3 ASP 36 2HB ASP 36 13.426 -13.655 -2.092 263 H THR 37 H THR 37 10.471 -10.816 -3.572 264 HA THR 37 HA THR 37 10.173 -10.712 -0.669 265 HB THR 37 HB THR 37 10.559 -8.210 -2.324 266 HG1 THR 37 1HG THR 37 12.563 -8.152 -1.531 267 HG21 THR 37 3HG2 THR 37 9.418 -7.221 -0.678 268 HG22 THR 37 1HG2 THR 37 10.768 -7.614 0.386 269 HG23 THR 37 2HG2 THR 37 9.384 -8.702 0.278 270 H ASP 38 H ASP 38 8.117 -10.259 0.012 271 HA ASP 38 HA ASP 38 6.080 -10.156 -2.092 272 HB2 ASP 38 1HB ASP 38 4.580 -10.624 0.021 273 HB3 ASP 38 2HB ASP 38 5.510 -11.923 -0.720 274 H GLY 39 H GLY 39 4.293 -8.713 -1.948 275 HA2 GLY 39 1HA GLY 39 3.314 -6.665 -1.610 276 HA3 GLY 39 2HA GLY 39 4.009 -6.710 0.004 277 H HIS 40 H HIS 40 4.027 -4.312 -0.610 278 HA HIS 40 HA HIS 40 6.489 -3.662 -2.085 279 HB2 HIS 40 1HB HIS 40 3.988 -2.070 -1.540 280 HB3 HIS 40 2HB HIS 40 5.477 -1.307 -2.089 281 HD1 HIS 40 1HD HIS 40 6.439 -2.498 -4.424 282 HD2 HIS 40 2HD HIS 40 2.383 -2.804 -3.580 283 HE1 HIS 40 1HE HIS 40 5.336 -3.049 -6.616 284 HE2 HIS 40 2HE HIS 40 2.874 -3.145 -6.097 285 H LEU 41 H LEU 41 7.972 -2.181 -1.205 286 HA LEU 41 HA LEU 41 7.718 -1.782 1.704 287 HB2 LEU 41 1HB LEU 41 10.160 -2.386 0.050 288 HB3 LEU 41 2HB LEU 41 10.228 -1.847 1.726 289 HG LEU 41 HG LEU 41 8.645 -3.965 2.055 290 HD11 LEU 41 1HD1 LEU 41 9.797 -4.275 -0.611 291 HD12 LEU 41 2HD1 LEU 41 8.434 -5.101 0.142 292 HD13 LEU 41 3HD1 LEU 41 10.080 -5.651 0.455 293 HD21 LEU 41 3HD2 LEU 41 10.438 -4.169 3.385 294 HD22 LEU 41 1HD2 LEU 41 11.533 -3.496 2.177 295 HD23 LEU 41 2HD2 LEU 41 11.076 -5.198 2.102 296 H ILE 42 H ILE 42 7.226 0.296 2.007 297 HA ILE 42 HA ILE 42 8.156 2.361 0.224 298 HB ILE 42 HB ILE 42 6.555 2.483 2.778 299 HG12 ILE 42 1HG1 ILE 42 5.626 3.224 0.018 300 HG13 ILE 42 2HG1 ILE 42 5.615 1.544 0.544 301 HG21 ILE 42 1HG2 ILE 42 6.105 4.878 1.865 302 HG22 ILE 42 2HG2 ILE 42 7.564 4.557 2.800 303 HG23 ILE 42 3HG2 ILE 42 7.647 4.653 1.041 304 HD11 ILE 42 3HD1 ILE 42 3.921 3.812 1.390 305 HD12 ILE 42 1HD1 ILE 42 3.509 2.117 1.133 306 HD13 ILE 42 2HD1 ILE 42 4.338 2.610 2.610 307 H ARG 43 H ARG 43 10.269 2.837 0.349 308 HA ARG 43 HA ARG 43 11.379 3.418 3.018 309 HB2 ARG 43 1HB ARG 43 12.967 2.527 0.610 310 HB3 ARG 43 2HB ARG 43 13.536 2.689 2.266 311 HG2 ARG 43 1HG ARG 43 12.599 0.724 2.931 312 HG3 ARG 43 2HG ARG 43 11.291 0.820 1.750 313 HD2 ARG 43 1HD ARG 43 12.679 -0.944 1.028 314 HD3 ARG 43 2HD ARG 43 13.051 0.420 -0.025 315 HE ARG 43 HE ARG 43 15.177 0.455 0.827 316 HH11 ARG 43 1HH1 ARG 43 13.146 -1.475 2.893 317 HH12 ARG 43 2HH1 ARG 43 14.460 -2.057 3.860 318 HH21 ARG 43 1HH2 ARG 43 16.915 -0.304 2.093 319 HH22 ARG 43 2HH2 ARG 43 16.604 -1.390 3.405 320 H VAL 44 H VAL 44 13.570 4.775 2.554 321 HA VAL 44 HA VAL 44 14.422 6.822 2.040 322 HB VAL 44 HB VAL 44 12.743 6.898 -0.447 323 HG11 VAL 44 1HG1 VAL 44 14.821 7.906 -1.367 324 HG12 VAL 44 2HG1 VAL 44 14.114 8.829 -0.039 325 HG13 VAL 44 3HG1 VAL 44 15.530 7.817 0.245 326 HG21 VAL 44 3HG2 VAL 44 14.595 5.574 -1.535 327 HG22 VAL 44 1HG2 VAL 44 15.126 5.139 0.090 328 HG23 VAL 44 2HG2 VAL 44 13.525 4.658 -0.473 329 H ILE 45 H ILE 45 12.210 6.790 3.732 330 HA ILE 45 HA ILE 45 10.317 8.795 2.900 331 HB ILE 45 HB ILE 45 10.781 7.578 5.625 332 HG12 ILE 45 1HG1 ILE 45 8.603 6.976 3.617 333 HG13 ILE 45 2HG1 ILE 45 10.068 6.015 3.779 334 HG21 ILE 45 1HG2 ILE 45 9.293 9.854 4.887 335 HG22 ILE 45 2HG2 ILE 45 8.133 8.568 5.217 336 HG23 ILE 45 3HG2 ILE 45 9.313 9.026 6.444 337 HD11 ILE 45 3HD1 ILE 45 9.451 5.204 5.861 338 HD12 ILE 45 1HD1 ILE 45 8.285 6.499 6.129 339 HD13 ILE 45 2HD1 ILE 45 7.935 5.225 4.960 340 H GLU 46 H GLU 46 11.412 10.690 2.499 341 HA GLU 46 HA GLU 46 13.446 11.816 4.021 342 HB2 GLU 46 1HB GLU 46 11.388 12.948 2.164 343 HB3 GLU 46 2HB GLU 46 12.425 14.038 3.073 344 HG2 GLU 46 1HG GLU 46 13.677 11.817 1.543 345 HG3 GLU 46 2HG GLU 46 13.077 13.226 0.669 346 H GLU 47 H GLU 47 13.324 13.800 5.364 347 HA GLU 47 HA GLU 47 11.376 13.417 7.465 348 HB2 GLU 47 1HB GLU 47 12.696 14.907 8.763 349 HB3 GLU 47 2HB GLU 47 13.821 13.898 7.866 350 HG2 GLU 47 1HG GLU 47 14.119 15.702 6.232 351 HG3 GLU 47 2HG GLU 47 13.022 16.715 7.170 352 H GLY 48 H GLY 48 10.171 15.239 8.393 353 HA2 GLY 48 1HA GLY 48 8.501 16.800 8.118 354 HA3 GLY 48 2HA GLY 48 9.752 17.714 7.291 355 H SER 49 H SER 49 8.394 14.648 6.214 356 HA SER 49 HA SER 49 7.400 16.033 3.816 357 HB2 SER 49 1HB SER 49 7.937 14.178 2.546 358 HB3 SER 49 2HB SER 49 9.189 14.087 3.784 359 HG SER 49 HG SER 49 8.352 12.287 4.460 360 HA PRO 50 HA PRO 50 3.233 15.010 4.739 361 HB2 PRO 50 1HB PRO 50 2.223 14.625 2.249 362 HB3 PRO 50 2HB PRO 50 2.650 16.221 2.876 363 HG2 PRO 50 1HG PRO 50 4.206 14.422 1.058 364 HG3 PRO 50 2HG PRO 50 3.962 16.176 0.956 365 HD2 PRO 50 1HD PRO 50 6.230 15.075 1.944 366 HD3 PRO 50 2HD PRO 50 5.583 16.619 2.534 367 H ALA 51 H ALA 51 5.349 12.764 3.346 368 HA ALA 51 HA ALA 51 3.449 10.615 3.045 369 HB1 ALA 51 3HB ALA 51 5.365 9.245 2.495 370 HB2 ALA 51 1HB ALA 51 5.457 10.778 1.627 371 HB3 ALA 51 2HB ALA 51 6.463 10.508 3.051 372 H GLU 52 H GLU 52 5.967 11.524 5.369 373 HA GLU 52 HA GLU 52 5.518 9.230 7.033 374 HB2 GLU 52 1HB GLU 52 7.693 10.516 6.839 375 HB3 GLU 52 2HB GLU 52 6.937 11.780 7.799 376 HG2 GLU 52 1HG GLU 52 6.557 10.108 9.595 377 HG3 GLU 52 2HG GLU 52 7.475 8.944 8.642 378 H LYS 53 H LYS 53 4.627 12.653 7.145 379 HA LYS 53 HA LYS 53 3.550 12.971 9.601 380 HB2 LYS 53 1HB LYS 53 2.726 13.956 6.911 381 HB3 LYS 53 2HB LYS 53 1.639 14.246 8.263 382 HG2 LYS 53 1HG LYS 53 4.537 14.982 8.419 383 HG3 LYS 53 2HG LYS 53 3.353 16.053 7.666 384 HD2 LYS 53 1HD LYS 53 2.015 15.781 9.837 385 HD3 LYS 53 2HD LYS 53 3.507 15.128 10.520 386 HE2 LYS 53 1HE LYS 53 3.594 17.394 11.060 387 HE3 LYS 53 2HE LYS 53 4.611 17.267 9.626 388 HZ1 LYS 53 3HZ LYS 53 2.926 19.152 9.716 389 HZ2 LYS 53 1HZ LYS 53 1.749 17.972 9.424 390 HZ3 LYS 53 2HZ LYS 53 2.982 18.234 8.296 391 H ALA 54 H ALA 54 2.387 10.850 7.131 392 HA ALA 54 HA ALA 54 -0.172 10.420 8.441 393 HB1 ALA 54 3HB ALA 54 0.934 9.916 5.824 394 HB2 ALA 54 1HB ALA 54 0.144 8.478 6.471 395 HB3 ALA 54 2HB ALA 54 -0.752 9.992 6.339 396 H GLY 55 H GLY 55 2.287 9.780 9.885 397 HA2 GLY 55 1HA GLY 55 3.125 8.119 11.230 398 HA3 GLY 55 2HA GLY 55 1.540 7.377 11.081 399 H LEU 56 H LEU 56 3.348 7.907 8.195 400 HA LEU 56 HA LEU 56 3.482 5.065 7.721 401 HB2 LEU 56 1HB LEU 56 2.988 7.016 6.053 402 HB3 LEU 56 2HB LEU 56 4.744 7.098 5.935 403 HG LEU 56 HG LEU 56 4.525 4.538 5.414 404 HD11 LEU 56 1HD1 LEU 56 2.030 5.204 4.035 405 HD12 LEU 56 2HD1 LEU 56 1.881 5.060 5.786 406 HD13 LEU 56 3HD1 LEU 56 2.522 3.715 4.843 407 HD21 LEU 56 3HD2 LEU 56 3.816 6.708 3.443 408 HD22 LEU 56 1HD2 LEU 56 4.357 5.083 3.022 409 HD23 LEU 56 2HD2 LEU 56 5.440 6.178 3.882 410 H LEU 57 H LEU 57 5.203 3.777 7.943 411 HA LEU 57 HA LEU 57 7.829 5.030 8.403 412 HB2 LEU 57 1HB LEU 57 8.121 2.798 9.814 413 HB3 LEU 57 2HB LEU 57 7.493 4.290 10.512 414 HG LEU 57 HG LEU 57 5.680 2.142 9.446 415 HD11 LEU 57 1HD1 LEU 57 6.135 0.818 11.161 416 HD12 LEU 57 2HD1 LEU 57 5.768 2.126 12.285 417 HD13 LEU 57 3HD1 LEU 57 7.411 1.921 11.677 418 HD21 LEU 57 3HD2 LEU 57 4.896 3.830 11.709 419 HD22 LEU 57 1HD2 LEU 57 4.000 3.385 10.256 420 HD23 LEU 57 2HD2 LEU 57 5.168 4.706 10.202 421 H ASP 58 H ASP 58 9.639 3.360 8.160 422 HA ASP 58 HA ASP 58 9.436 2.234 5.539 423 HB2 ASP 58 1HB ASP 58 11.529 3.224 6.279 424 HB3 ASP 58 2HB ASP 58 11.638 2.071 7.607 425 H GLY 59 H GLY 59 8.762 0.269 4.999 426 HA2 GLY 59 1HA GLY 59 9.012 -2.141 5.297 427 HA3 GLY 59 2HA GLY 59 8.920 -1.868 7.031 428 H ASP 60 H ASP 60 6.784 -0.020 5.088 429 HA ASP 60 HA ASP 60 4.530 -1.559 6.131 430 HB2 ASP 60 1HB ASP 60 4.772 1.196 4.932 431 HB3 ASP 60 2HB ASP 60 3.209 0.435 5.218 432 H ARG 61 H ARG 61 3.371 -2.892 4.909 433 HA ARG 61 HA ARG 61 3.930 -3.021 2.051 434 HB2 ARG 61 1HB ARG 61 2.236 -4.880 3.726 435 HB3 ARG 61 2HB ARG 61 2.840 -5.177 2.101 436 HG2 ARG 61 1HG ARG 61 4.673 -4.733 4.436 437 HG3 ARG 61 2HG ARG 61 4.048 -6.327 4.006 438 HD2 ARG 61 1HD ARG 61 4.956 -5.866 1.669 439 HD3 ARG 61 2HD ARG 61 5.832 -4.521 2.398 440 HE ARG 61 HE ARG 61 6.452 -7.309 2.622 441 HH11 ARG 61 1HH1 ARG 61 6.715 -4.207 4.179 442 HH12 ARG 61 2HH1 ARG 61 8.120 -4.641 5.097 443 HH21 ARG 61 1HH2 ARG 61 8.301 -7.892 3.824 444 HH22 ARG 61 2HH2 ARG 61 9.021 -6.737 4.893 445 H VAL 62 H VAL 62 2.668 -2.024 0.638 446 HA VAL 62 HA VAL 62 0.077 -1.008 1.432 447 HB VAL 62 HB VAL 62 1.473 0.451 0.114 448 HG11 VAL 62 1HG1 VAL 62 1.451 -0.670 -2.459 449 HG12 VAL 62 2HG1 VAL 62 2.845 -0.401 -1.412 450 HG13 VAL 62 3HG1 VAL 62 1.996 -1.946 -1.372 451 HG21 VAL 62 3HG2 VAL 62 -0.584 1.133 -0.492 452 HG22 VAL 62 1HG2 VAL 62 -0.160 0.427 -2.052 453 HG23 VAL 62 2HG2 VAL 62 -1.117 -0.499 -0.896 454 H LEU 63 H LEU 63 -1.681 -2.226 1.300 455 HA LEU 63 HA LEU 63 -1.782 -4.585 -0.335 456 HB2 LEU 63 1HB LEU 63 -3.932 -3.240 1.295 457 HB3 LEU 63 2HB LEU 63 -4.049 -4.841 0.566 458 HG LEU 63 HG LEU 63 -1.841 -4.312 2.496 459 HD11 LEU 63 1HD1 LEU 63 -3.434 -3.500 3.916 460 HD12 LEU 63 2HD1 LEU 63 -3.613 -5.228 4.215 461 HD13 LEU 63 3HD1 LEU 63 -4.742 -4.397 3.145 462 HD21 LEU 63 3HD2 LEU 63 -1.580 -6.486 2.123 463 HD22 LEU 63 1HD2 LEU 63 -3.071 -6.555 1.184 464 HD23 LEU 63 2HD2 LEU 63 -3.122 -6.762 2.934 465 H ARG 64 H ARG 64 -3.471 -1.458 -0.313 466 HA ARG 64 HA ARG 64 -4.044 -1.840 -3.166 467 HB2 ARG 64 1HB ARG 64 -6.007 -0.969 -1.044 468 HB3 ARG 64 2HB ARG 64 -6.280 -0.736 -2.766 469 HG2 ARG 64 1HG ARG 64 -5.950 -3.252 -2.990 470 HG3 ARG 64 2HG ARG 64 -6.111 -3.307 -1.234 471 HD2 ARG 64 1HD ARG 64 -8.165 -1.826 -2.793 472 HD3 ARG 64 2HD ARG 64 -8.197 -3.588 -2.838 473 HE ARG 64 HE ARG 64 -8.050 -3.091 -0.204 474 HH11 ARG 64 1HH1 ARG 64 -10.103 -1.820 -2.712 475 HH12 ARG 64 2HH1 ARG 64 -11.447 -1.545 -1.653 476 HH21 ARG 64 1HH2 ARG 64 -9.812 -2.733 1.200 477 HH22 ARG 64 2HH2 ARG 64 -11.280 -2.063 0.572 478 H ILE 65 H ILE 65 -3.825 -0.042 -4.413 479 HA ILE 65 HA ILE 65 -2.962 2.408 -3.027 480 HB ILE 65 HB ILE 65 -1.382 1.122 -4.644 481 HG12 ILE 65 1HG1 ILE 65 -0.770 3.252 -3.719 482 HG13 ILE 65 2HG1 ILE 65 -0.442 3.308 -5.448 483 HG21 ILE 65 1HG2 ILE 65 -3.049 0.922 -6.449 484 HG22 ILE 65 2HG2 ILE 65 -3.029 2.675 -6.634 485 HG23 ILE 65 3HG2 ILE 65 -1.576 1.736 -6.976 486 HD11 ILE 65 3HD1 ILE 65 -2.468 4.760 -3.848 487 HD12 ILE 65 1HD1 ILE 65 -1.454 5.321 -5.178 488 HD13 ILE 65 2HD1 ILE 65 -2.875 4.329 -5.509 489 H ASN 66 H ASN 66 -4.166 4.178 -3.224 490 HA ASN 66 HA ASN 66 -6.015 5.435 -3.744 491 HB2 ASN 66 1HB ASN 66 -4.206 5.914 -5.513 492 HB3 ASN 66 2HB ASN 66 -5.200 4.952 -6.603 493 HD21 ASN 66 1HD2 ASN 66 -5.536 7.607 -4.273 494 HD22 ASN 66 2HD2 ASN 66 -6.631 8.537 -5.234 495 H GLY 67 H GLY 67 -6.467 2.507 -3.637 496 HA2 GLY 67 1HA GLY 67 -8.512 1.365 -3.762 497 HA3 GLY 67 2HA GLY 67 -9.068 2.536 -4.948 498 H VAL 68 H VAL 68 -6.138 0.534 -4.944 499 HA VAL 68 HA VAL 68 -7.194 -1.149 -7.057 500 HB VAL 68 HB VAL 68 -4.797 0.624 -7.549 501 HG11 VAL 68 1HG1 VAL 68 -4.335 -1.489 -8.523 502 HG12 VAL 68 2HG1 VAL 68 -5.979 -1.635 -9.149 503 HG13 VAL 68 3HG1 VAL 68 -4.878 -0.438 -9.831 504 HG21 VAL 68 3HG2 VAL 68 -7.481 0.532 -8.925 505 HG22 VAL 68 1HG2 VAL 68 -6.944 1.779 -7.800 506 HG23 VAL 68 2HG2 VAL 68 -6.130 1.581 -9.351 507 H PHE 69 H PHE 69 -6.652 -3.121 -6.420 508 HA PHE 69 HA PHE 69 -4.746 -3.767 -4.507 509 HB2 PHE 69 1HB PHE 69 -6.690 -5.173 -5.578 510 HB3 PHE 69 2HB PHE 69 -5.422 -5.730 -6.664 511 HD1 PHE 69 2HD PHE 69 -6.298 -5.432 -3.070 512 HD2 PHE 69 1HD PHE 69 -3.995 -7.449 -6.027 513 HE1 PHE 69 2HE PHE 69 -5.591 -7.083 -1.388 514 HE2 PHE 69 1HE PHE 69 -3.285 -9.104 -4.350 515 HZ PHE 69 HZ PHE 69 -4.082 -8.922 -2.027 516 H VAL 70 H VAL 70 -2.623 -3.496 -4.592 517 HA VAL 70 HA VAL 70 -1.218 -4.169 -7.091 518 HB VAL 70 HB VAL 70 0.445 -2.369 -6.497 519 HG11 VAL 70 1HG1 VAL 70 -1.691 -0.615 -6.984 520 HG12 VAL 70 2HG1 VAL 70 -0.622 -1.369 -8.169 521 HG13 VAL 70 3HG1 VAL 70 -2.139 -2.152 -7.724 522 HG21 VAL 70 3HG2 VAL 70 -0.283 -2.135 -4.135 523 HG22 VAL 70 1HG2 VAL 70 -0.220 -0.602 -5.003 524 HG23 VAL 70 2HG2 VAL 70 -1.772 -1.383 -4.705 525 H ASP 71 H ASP 71 -1.415 -6.144 -5.387 526 HA ASP 71 HA ASP 71 0.650 -6.140 -3.382 527 HB2 ASP 71 1HB ASP 71 -0.032 -8.378 -2.898 528 HB3 ASP 71 2HB ASP 71 -1.497 -7.457 -3.226 529 H LYS 72 H LYS 72 0.159 -7.813 -6.485 530 HA LYS 72 HA LYS 72 3.066 -8.295 -6.579 531 HB2 LYS 72 1HB LYS 72 0.763 -9.917 -7.651 532 HB3 LYS 72 2HB LYS 72 2.413 -10.151 -8.215 533 HG2 LYS 72 1HG LYS 72 1.846 -10.235 -5.290 534 HG3 LYS 72 2HG LYS 72 1.442 -11.627 -6.298 535 HD2 LYS 72 1HD LYS 72 3.610 -12.078 -5.548 536 HD3 LYS 72 2HD LYS 72 3.847 -11.440 -7.177 537 HE2 LYS 72 1HE LYS 72 4.715 -9.450 -6.415 538 HE3 LYS 72 2HE LYS 72 3.882 -9.557 -4.866 539 HZ1 LYS 72 3HZ LYS 72 6.254 -11.125 -5.716 540 HZ2 LYS 72 1HZ LYS 72 5.404 -11.391 -4.278 541 HZ3 LYS 72 2HZ LYS 72 6.205 -9.922 -4.527 542 H GLU 73 H GLU 73 1.319 -5.995 -7.533 543 HA GLU 73 HA GLU 73 1.450 -6.089 -10.398 544 HB2 GLU 73 1HB GLU 73 0.755 -3.978 -8.382 545 HB3 GLU 73 2HB GLU 73 0.996 -3.545 -10.069 546 HG2 GLU 73 1HG GLU 73 -0.958 -5.626 -9.122 547 HG3 GLU 73 2HG GLU 73 -1.371 -3.941 -9.437 548 H GLU 74 H GLU 74 2.747 -4.720 -11.737 549 HA GLU 74 HA GLU 74 5.480 -4.674 -10.970 550 HB2 GLU 74 1HB GLU 74 4.528 -4.941 -13.321 551 HB3 GLU 74 2HB GLU 74 4.291 -3.199 -13.315 552 HG2 GLU 74 1HG GLU 74 6.640 -2.813 -13.093 553 HG3 GLU 74 2HG GLU 74 6.948 -4.534 -12.866 554 H HIS 75 H HIS 75 6.849 -2.931 -10.579 555 HA HIS 75 HA HIS 75 5.970 -0.915 -8.931 556 HB2 HIS 75 1HB HIS 75 8.287 -1.351 -8.941 557 HB3 HIS 75 2HB HIS 75 8.409 -1.125 -10.683 558 HD1 HIS 75 1HD HIS 75 6.872 1.276 -8.183 559 HD2 HIS 75 2HD HIS 75 10.083 1.020 -10.807 560 HE1 HIS 75 1HE HIS 75 7.936 3.555 -8.168 561 HE2 HIS 75 2HE HIS 75 9.824 3.400 -9.828 562 H ALA 76 H ALA 76 6.312 -0.869 -12.441 563 HA ALA 76 HA ALA 76 5.792 1.888 -12.795 564 HB1 ALA 76 3HB ALA 76 5.399 1.318 -15.140 565 HB2 ALA 76 1HB ALA 76 6.853 0.532 -14.521 566 HB3 ALA 76 2HB ALA 76 5.365 -0.395 -14.720 567 H GLN 77 H GLN 77 3.719 -0.934 -12.533 568 HA GLN 77 HA GLN 77 1.329 0.303 -13.412 569 HB2 GLN 77 1HB GLN 77 1.979 -2.169 -11.856 570 HB3 GLN 77 2HB GLN 77 0.311 -1.618 -11.940 571 HG2 GLN 77 1HG GLN 77 2.083 -2.337 -14.263 572 HG3 GLN 77 2HG GLN 77 0.725 -3.273 -13.639 573 HE21 GLN 77 1HE2 GLN 77 -1.310 -1.726 -13.406 574 HE22 GLN 77 2HE2 GLN 77 -1.700 -0.877 -14.859 575 H VAL 78 H VAL 78 2.840 -0.055 -10.244 576 HA VAL 78 HA VAL 78 0.666 1.022 -8.760 577 HB VAL 78 HB VAL 78 3.581 0.943 -7.972 578 HG11 VAL 78 1HG1 VAL 78 2.141 2.414 -6.606 579 HG12 VAL 78 2HG1 VAL 78 1.099 1.032 -6.260 580 HG13 VAL 78 3HG1 VAL 78 2.772 1.041 -5.699 581 HG21 VAL 78 3HG2 VAL 78 1.995 -1.102 -6.756 582 HG22 VAL 78 1HG2 VAL 78 1.835 -1.202 -8.509 583 HG23 VAL 78 2HG2 VAL 78 3.432 -1.264 -7.764 584 H VAL 79 H VAL 79 3.882 2.428 -9.414 585 HA VAL 79 HA VAL 79 3.519 4.963 -8.518 586 HB VAL 79 HB VAL 79 5.611 4.071 -9.558 587 HG11 VAL 79 1HG1 VAL 79 5.946 4.164 -11.916 588 HG12 VAL 79 2HG1 VAL 79 4.467 3.244 -11.631 589 HG13 VAL 79 3HG1 VAL 79 4.374 4.921 -12.169 590 HG21 VAL 79 3HG2 VAL 79 6.177 6.310 -10.703 591 HG22 VAL 79 1HG2 VAL 79 4.543 6.786 -10.242 592 HG23 VAL 79 2HG2 VAL 79 5.712 6.331 -9.002 593 H GLU 80 H GLU 80 2.630 3.799 -11.762 594 HA GLU 80 HA GLU 80 1.676 6.130 -12.864 595 HB2 GLU 80 1HB GLU 80 1.870 3.922 -14.020 596 HB3 GLU 80 2HB GLU 80 0.402 3.411 -13.199 597 HG2 GLU 80 1HG GLU 80 -0.945 4.732 -14.476 598 HG3 GLU 80 2HG GLU 80 0.318 5.926 -14.771 599 H LEU 81 H LEU 81 -0.282 3.721 -11.104 600 HA LEU 81 HA LEU 81 -2.679 5.105 -11.083 601 HB2 LEU 81 1HB LEU 81 -1.554 3.298 -8.948 602 HB3 LEU 81 2HB LEU 81 -3.243 3.782 -9.083 603 HG LEU 81 HG LEU 81 -1.805 2.231 -11.227 604 HD11 LEU 81 1HD1 LEU 81 -2.777 0.223 -10.332 605 HD12 LEU 81 2HD1 LEU 81 -3.559 1.129 -9.038 606 HD13 LEU 81 3HD1 LEU 81 -1.801 0.994 -9.082 607 HD21 LEU 81 3HD2 LEU 81 -4.133 1.640 -11.857 608 HD22 LEU 81 1HD2 LEU 81 -3.777 3.361 -12.007 609 HD23 LEU 81 2HD2 LEU 81 -4.712 2.771 -10.633 610 H VAL 82 H VAL 82 0.029 5.302 -8.810 611 HA VAL 82 HA VAL 82 -1.150 7.001 -6.926 612 HB VAL 82 HB VAL 82 1.763 6.894 -7.721 613 HG11 VAL 82 1HG1 VAL 82 0.865 7.542 -4.968 614 HG12 VAL 82 2HG1 VAL 82 2.282 8.100 -5.860 615 HG13 VAL 82 3HG1 VAL 82 0.696 8.792 -6.200 616 HG21 VAL 82 3HG2 VAL 82 1.851 4.872 -6.806 617 HG22 VAL 82 1HG2 VAL 82 1.207 5.518 -5.297 618 HG23 VAL 82 2HG2 VAL 82 0.108 4.917 -6.539 619 H ARG 83 H ARG 83 0.510 7.700 -9.955 620 HA ARG 83 HA ARG 83 0.583 10.525 -9.584 621 HB2 ARG 83 1HB ARG 83 2.166 9.688 -11.103 622 HB3 ARG 83 2HB ARG 83 0.972 8.711 -11.947 623 HG2 ARG 83 1HG ARG 83 0.229 10.455 -13.209 624 HG3 ARG 83 2HG ARG 83 0.624 11.657 -11.979 625 HD2 ARG 83 1HD ARG 83 2.779 10.144 -13.409 626 HD3 ARG 83 2HD ARG 83 2.039 11.569 -14.136 627 HE ARG 83 HE ARG 83 2.969 11.993 -11.451 628 HH11 ARG 83 1HH1 ARG 83 3.850 11.988 -14.819 629 HH12 ARG 83 2HH1 ARG 83 5.177 13.082 -14.608 630 HH21 ARG 83 1HH2 ARG 83 4.714 13.434 -11.160 631 HH22 ARG 83 2HH2 ARG 83 5.668 13.903 -12.526 632 H LYS 84 H LYS 84 -1.580 8.321 -11.321 633 HA LYS 84 HA LYS 84 -3.224 10.281 -12.486 634 HB2 LYS 84 1HB LYS 84 -3.698 7.399 -11.747 635 HB3 LYS 84 2HB LYS 84 -4.940 8.379 -12.517 636 HG2 LYS 84 1HG LYS 84 -3.279 8.827 -14.358 637 HG3 LYS 84 2HG LYS 84 -2.262 7.584 -13.625 638 HD2 LYS 84 1HD LYS 84 -4.091 5.962 -13.874 639 HD3 LYS 84 2HD LYS 84 -5.083 7.208 -14.634 640 HE2 LYS 84 1HE LYS 84 -2.958 7.396 -16.212 641 HE3 LYS 84 2HE LYS 84 -2.738 5.725 -15.695 642 HZ1 LYS 84 3HZ LYS 84 -4.039 5.527 -17.575 643 HZ2 LYS 84 1HZ LYS 84 -4.957 6.906 -17.232 644 HZ3 LYS 84 2HZ LYS 84 -5.199 5.487 -16.345 645 H SER 85 H SER 85 -3.401 8.609 -9.377 646 HA SER 85 HA SER 85 -5.817 9.175 -8.382 647 HB2 SER 85 1HB SER 85 -3.240 9.742 -6.895 648 HB3 SER 85 2HB SER 85 -4.815 9.440 -6.159 649 HG SER 85 HG SER 85 -3.122 7.635 -6.543 650 H GLY 86 H GLY 86 -3.150 11.546 -8.332 651 HA2 GLY 86 1HA GLY 86 -3.733 13.821 -9.128 652 HA3 GLY 86 2HA GLY 86 -5.204 13.666 -8.179 653 H ASN 87 H ASN 87 -5.124 14.946 -6.465 654 HA ASN 87 HA ASN 87 -2.571 15.623 -5.256 655 HB2 ASN 87 1HB ASN 87 -5.336 16.570 -4.478 656 HB3 ASN 87 2HB ASN 87 -3.799 17.288 -4.004 657 HD21 ASN 87 1HD2 ASN 87 -2.382 17.845 -5.976 658 HD22 ASN 87 2HD2 ASN 87 -3.190 18.689 -7.248 659 H SER 88 H SER 88 -5.683 14.258 -4.193 660 HA SER 88 HA SER 88 -4.412 13.324 -1.729 661 HB2 SER 88 1HB SER 88 -6.692 12.839 -0.962 662 HB3 SER 88 2HB SER 88 -6.570 14.502 -1.534 663 HG SER 88 HG SER 88 -8.248 13.931 -2.679 664 H VAL 89 H VAL 89 -3.918 11.253 -1.362 665 HA VAL 89 HA VAL 89 -5.011 9.201 -3.166 666 HB VAL 89 HB VAL 89 -2.130 9.349 -2.267 667 HG11 VAL 89 1HG1 VAL 89 -1.746 7.394 -3.541 668 HG12 VAL 89 2HG1 VAL 89 -3.176 7.064 -2.561 669 HG13 VAL 89 3HG1 VAL 89 -3.350 7.465 -4.270 670 HG21 VAL 89 3HG2 VAL 89 -1.710 10.594 -4.058 671 HG22 VAL 89 1HG2 VAL 89 -2.441 9.371 -5.098 672 HG23 VAL 89 2HG2 VAL 89 -3.436 10.656 -4.412 673 H THR 90 H THR 90 -5.311 7.161 -2.277 674 HA THR 90 HA THR 90 -5.116 7.055 0.661 675 HB THR 90 HB THR 90 -7.017 5.526 -1.127 676 HG1 THR 90 1HG THR 90 -7.184 7.981 0.197 677 HG21 THR 90 3HG2 THR 90 -6.230 4.603 1.189 678 HG22 THR 90 1HG2 THR 90 -7.942 4.580 0.770 679 HG23 THR 90 2HG2 THR 90 -7.310 5.838 1.832 680 H LEU 91 H LEU 91 -3.854 5.556 1.557 681 HA LEU 91 HA LEU 91 -3.057 3.232 -0.063 682 HB2 LEU 91 1HB LEU 91 -1.249 4.757 1.803 683 HB3 LEU 91 2HB LEU 91 -0.809 3.377 0.798 684 HG LEU 91 HG LEU 91 -1.783 5.919 -0.453 685 HD11 LEU 91 1HD1 LEU 91 1.133 5.484 -0.137 686 HD12 LEU 91 2HD1 LEU 91 0.243 6.118 1.247 687 HD13 LEU 91 3HD1 LEU 91 0.218 6.984 -0.289 688 HD21 LEU 91 3HD2 LEU 91 -1.509 3.747 -1.719 689 HD22 LEU 91 1HD2 LEU 91 0.225 3.906 -1.436 690 HD23 LEU 91 2HD2 LEU 91 -0.633 5.137 -2.363 691 H LEU 92 H LEU 92 -3.405 1.342 0.900 692 HA LEU 92 HA LEU 92 -4.035 1.334 3.765 693 HB2 LEU 92 1HB LEU 92 -4.746 -0.473 1.484 694 HB3 LEU 92 2HB LEU 92 -4.881 -1.027 3.152 695 HG LEU 92 HG LEU 92 -6.300 1.413 2.099 696 HD11 LEU 92 1HD1 LEU 92 -6.995 -0.623 0.880 697 HD12 LEU 92 2HD1 LEU 92 -8.280 0.063 1.874 698 HD13 LEU 92 3HD1 LEU 92 -7.411 -1.370 2.423 699 HD21 LEU 92 3HD2 LEU 92 -5.815 0.881 4.632 700 HD22 LEU 92 1HD2 LEU 92 -7.179 -0.218 4.427 701 HD23 LEU 92 2HD2 LEU 92 -7.381 1.506 4.113 702 H VAL 93 H VAL 93 -2.326 0.894 4.996 703 HA VAL 93 HA VAL 93 -0.410 -1.145 4.078 704 HB VAL 93 HB VAL 93 1.226 -0.174 5.554 705 HG11 VAL 93 1HG1 VAL 93 -0.153 2.067 4.081 706 HG12 VAL 93 2HG1 VAL 93 1.559 1.955 4.496 707 HG13 VAL 93 3HG1 VAL 93 0.863 0.847 3.313 708 HG21 VAL 93 3HG2 VAL 93 0.283 2.172 6.554 709 HG22 VAL 93 1HG2 VAL 93 -1.132 1.132 6.712 710 HG23 VAL 93 2HG2 VAL 93 0.393 0.666 7.465 711 H LEU 94 H LEU 94 -0.262 -3.015 5.140 712 HA LEU 94 HA LEU 94 -1.802 -3.322 7.617 713 HB2 LEU 94 1HB LEU 94 -2.168 -4.786 5.552 714 HB3 LEU 94 2HB LEU 94 -0.632 -5.544 5.970 715 HG LEU 94 HG LEU 94 -1.577 -6.248 8.123 716 HD11 LEU 94 1HD1 LEU 94 -4.086 -4.954 7.071 717 HD12 LEU 94 2HD1 LEU 94 -3.183 -4.517 8.521 718 HD13 LEU 94 3HD1 LEU 94 -4.035 -6.059 8.445 719 HD21 LEU 94 3HD2 LEU 94 -2.228 -8.124 7.128 720 HD22 LEU 94 1HD2 LEU 94 -2.145 -7.270 5.587 721 HD23 LEU 94 2HD2 LEU 94 -3.668 -7.343 6.473 722 H ASP 95 H ASP 95 -0.897 -4.812 9.267 723 HA ASP 95 HA ASP 95 1.722 -3.977 10.009 724 HB2 ASP 95 1HB ASP 95 0.234 -4.358 11.800 725 HB3 ASP 95 2HB ASP 95 -0.247 -5.934 11.175 726 H GLY 96 H GLY 96 3.600 -5.243 10.278 727 HA2 GLY 96 1HA GLY 96 4.300 -6.888 8.163 728 HA3 GLY 96 2HA GLY 96 5.145 -6.842 9.703 729 H ASP 97 H ASP 97 3.876 -8.054 11.506 730 HA ASP 97 HA ASP 97 3.909 -10.756 10.951 731 HB2 ASP 97 1HB ASP 97 3.880 -9.581 13.227 732 HB3 ASP 97 2HB ASP 97 2.126 -9.566 13.070 733 H SER 98 H SER 98 1.091 -8.595 11.078 734 HA SER 98 HA SER 98 -0.908 -10.458 10.616 735 HB2 SER 98 1HB SER 98 -0.663 -7.543 9.899 736 HB3 SER 98 2HB SER 98 -2.109 -8.467 9.493 737 HG SER 98 HG SER 98 -1.695 -7.287 11.725 738 H TYR 99 H TYR 99 1.005 -8.630 8.247 739 HA TYR 99 HA TYR 99 -0.234 -9.570 5.933 740 HB2 TYR 99 1HB TYR 99 1.439 -7.693 6.089 741 HB3 TYR 99 2HB TYR 99 2.703 -8.912 6.203 742 HD1 TYR 99 1HD TYR 99 0.230 -7.338 3.999 743 HD2 TYR 99 2HD TYR 99 3.350 -10.219 4.270 744 HE1 TYR 99 1HE TYR 99 0.333 -7.449 1.544 745 HE2 TYR 99 2HE TYR 99 3.462 -10.337 1.816 746 HH TYR 99 HH TYR 99 2.852 -9.208 -0.112 747 H GLU 100 H GLU 100 2.632 -10.833 7.624 748 HA GLU 100 HA GLU 100 3.198 -12.954 5.917 749 HB2 GLU 100 1HB GLU 100 3.551 -12.894 8.919 750 HB3 GLU 100 2HB GLU 100 4.389 -13.957 7.798 751 HG2 GLU 100 1HG GLU 100 5.693 -12.240 6.942 752 HG3 GLU 100 2HG GLU 100 4.600 -10.988 7.528 753 H LYS 101 H LYS 101 1.261 -13.011 8.909 754 HA LYS 101 HA LYS 101 0.473 -15.656 8.861 755 HB2 LYS 101 1HB LYS 101 0.024 -14.118 10.729 756 HB3 LYS 101 2HB LYS 101 -1.170 -13.277 9.749 757 HG2 LYS 101 1HG LYS 101 -2.503 -15.338 9.635 758 HG3 LYS 101 2HG LYS 101 -1.319 -16.141 10.670 759 HD2 LYS 101 1HD LYS 101 -2.660 -13.599 11.531 760 HD3 LYS 101 2HD LYS 101 -3.446 -15.164 11.754 761 HE2 LYS 101 1HE LYS 101 -1.754 -15.927 13.196 762 HE3 LYS 101 2HE LYS 101 -0.647 -14.644 12.711 763 HZ1 LYS 101 3HZ LYS 101 -2.889 -14.554 14.587 764 HZ2 LYS 101 1HZ LYS 101 -2.567 -13.160 13.685 765 HZ3 LYS 101 2HZ LYS 101 -1.370 -13.816 14.683 766 H ALA 102 H ALA 102 -0.602 -13.016 6.881 767 HA ALA 102 HA ALA 102 -2.963 -14.358 5.920 768 HB1 ALA 102 3HB ALA 102 -3.457 -12.225 5.515 769 HB2 ALA 102 1HB ALA 102 -1.770 -11.730 5.662 770 HB3 ALA 102 2HB ALA 102 -2.382 -12.334 4.122 771 H VAL 103 H VAL 103 -0.096 -13.166 4.161 772 HA VAL 103 HA VAL 103 -0.387 -14.478 1.805 773 HB VAL 103 HB VAL 103 1.450 -12.972 2.091 774 HG11 VAL 103 1HG1 VAL 103 2.590 -14.981 4.032 775 HG12 VAL 103 2HG1 VAL 103 3.400 -13.515 3.477 776 HG13 VAL 103 3HG1 VAL 103 1.927 -13.399 4.440 777 HG21 VAL 103 3HG2 VAL 103 3.326 -14.316 1.176 778 HG22 VAL 103 1HG2 VAL 103 2.414 -15.778 1.552 779 HG23 VAL 103 2HG2 VAL 103 1.787 -14.626 0.374 780 H LYS 104 H LYS 104 0.714 -15.852 4.842 781 HA LYS 104 HA LYS 104 1.467 -18.376 3.695 782 HB2 LYS 104 1HB LYS 104 1.338 -17.204 6.421 783 HB3 LYS 104 2HB LYS 104 1.243 -18.957 6.305 784 HG2 LYS 104 1HG LYS 104 3.524 -18.310 6.654 785 HG3 LYS 104 2HG LYS 104 3.352 -18.948 5.017 786 HD2 LYS 104 1HD LYS 104 3.444 -16.786 4.063 787 HD3 LYS 104 2HD LYS 104 3.219 -16.005 5.630 788 HE2 LYS 104 1HE LYS 104 5.489 -15.746 5.266 789 HE3 LYS 104 2HE LYS 104 5.430 -17.199 6.262 790 HZ1 LYS 104 3HZ LYS 104 5.991 -16.951 3.382 791 HZ2 LYS 104 1HZ LYS 104 5.373 -18.401 3.998 792 HZ3 LYS 104 2HZ LYS 104 6.848 -17.800 4.568 793 H ASN 105 H ASN 105 -1.297 -17.157 5.551 794 HA ASN 105 HA ASN 105 -2.675 -19.708 5.255 795 HB2 ASN 105 1HB ASN 105 -3.429 -17.162 6.704 796 HB3 ASN 105 2HB ASN 105 -4.440 -18.603 6.651 797 HD21 ASN 105 1HD2 ASN 105 -2.655 -17.021 8.682 798 HD22 ASN 105 2HD2 ASN 105 -1.890 -18.295 9.563 799 H GLN 106 H GLN 106 -2.098 -17.693 3.038 800 HA GLN 106 HA GLN 106 -3.222 -16.563 1.360 801 HB2 GLN 106 1HB GLN 106 -4.627 -19.236 1.489 802 HB3 GLN 106 2HB GLN 106 -4.710 -18.131 0.124 803 HG2 GLN 106 1HG GLN 106 -2.072 -19.110 1.130 804 HG3 GLN 106 2HG GLN 106 -3.053 -20.102 0.054 805 HE21 GLN 106 1HE2 GLN 106 -1.164 -19.870 -1.349 806 HE22 GLN 106 2HE2 GLN 106 -1.056 -18.482 -2.372 807 H VAL 107 H VAL 107 -4.245 -15.733 3.830 808 HA VAL 107 HA VAL 107 -7.093 -15.892 3.894 809 HB VAL 107 HB VAL 107 -5.200 -13.976 5.261 810 HG11 VAL 107 1HG1 VAL 107 -7.022 -13.274 6.636 811 HG12 VAL 107 2HG1 VAL 107 -7.519 -13.086 4.953 812 HG13 VAL 107 3HG1 VAL 107 -8.105 -14.455 5.900 813 HG21 VAL 107 3HG2 VAL 107 -6.729 -16.108 6.667 814 HG22 VAL 107 1HG2 VAL 107 -5.303 -16.567 5.736 815 HG23 VAL 107 2HG2 VAL 107 -5.160 -15.403 7.053 816 H ASP 108 H ASP 108 -8.504 -14.822 2.688 817 HA ASP 108 HA ASP 108 -8.106 -13.277 0.549 818 HB2 ASP 108 1HB ASP 108 -10.281 -12.862 2.610 819 HB3 ASP 108 2HB ASP 108 -10.306 -12.181 0.986 820 H LEU 109 H LEU 109 -7.150 -11.415 0.084 821 HA LEU 109 HA LEU 109 -6.607 -9.534 2.274 822 HB2 LEU 109 1HB LEU 109 -5.276 -9.909 -0.402 823 HB3 LEU 109 2HB LEU 109 -4.881 -8.613 0.724 824 HG LEU 109 HG LEU 109 -4.594 -11.541 1.380 825 HD11 LEU 109 1HD1 LEU 109 -3.162 -10.677 -0.550 826 HD12 LEU 109 2HD1 LEU 109 -2.331 -11.447 0.801 827 HD13 LEU 109 3HD1 LEU 109 -2.346 -9.689 0.661 828 HD21 LEU 109 3HD2 LEU 109 -3.372 -10.818 3.270 829 HD22 LEU 109 1HD2 LEU 109 -4.839 -9.840 3.234 830 HD23 LEU 109 2HD2 LEU 109 -3.309 -9.155 2.687 831 H LYS 110 H LYS 110 -7.935 -9.784 -0.972 832 HA LYS 110 HA LYS 110 -8.300 -7.139 -1.638 833 HB2 LYS 110 1HB LYS 110 -9.864 -9.625 -2.212 834 HB3 LYS 110 2HB LYS 110 -10.508 -8.069 -2.719 835 HG2 LYS 110 1HG LYS 110 -7.701 -8.761 -3.426 836 HG3 LYS 110 2HG LYS 110 -9.024 -9.507 -4.325 837 HD2 LYS 110 1HD LYS 110 -9.928 -7.147 -4.639 838 HD3 LYS 110 2HD LYS 110 -8.359 -6.585 -4.059 839 HE2 LYS 110 1HE LYS 110 -8.099 -6.599 -6.368 840 HE3 LYS 110 2HE LYS 110 -7.383 -8.132 -5.875 841 HZ1 LYS 110 3HZ LYS 110 -9.513 -9.208 -6.423 842 HZ2 LYS 110 1HZ LYS 110 -8.789 -8.479 -7.767 843 HZ3 LYS 110 2HZ LYS 110 -10.100 -7.732 -7.004 844 H GLU 111 H GLU 111 -10.121 -9.100 0.630 845 HA GLU 111 HA GLU 111 -12.302 -7.341 0.980 846 HB2 GLU 111 1HB GLU 111 -12.736 -8.594 3.043 847 HB3 GLU 111 2HB GLU 111 -12.390 -9.673 1.699 848 HG2 GLU 111 1HG GLU 111 -10.187 -10.094 2.511 849 HG3 GLU 111 2HG GLU 111 -10.349 -8.847 3.746 850 H LEU 112 H LEU 112 -9.163 -7.607 2.566 851 HA LEU 112 HA LEU 112 -9.318 -6.091 4.765 852 HB2 LEU 112 1HB LEU 112 -7.223 -5.705 2.632 853 HB3 LEU 112 2HB LEU 112 -7.065 -5.267 4.332 854 HG LEU 112 HG LEU 112 -7.453 -8.100 3.380 855 HD11 LEU 112 1HD1 LEU 112 -5.371 -7.991 2.593 856 HD12 LEU 112 2HD1 LEU 112 -4.860 -7.873 4.276 857 HD13 LEU 112 3HD1 LEU 112 -5.088 -6.409 3.320 858 HD21 LEU 112 3HD2 LEU 112 -8.061 -7.921 5.646 859 HD22 LEU 112 1HD2 LEU 112 -6.727 -6.823 6.002 860 HD23 LEU 112 2HD2 LEU 112 -6.402 -8.521 5.656 861 H ASP 113 H ASP 113 -10.697 -4.425 4.995 862 HA ASP 113 HA ASP 113 -10.052 -1.943 3.659 863 HB2 ASP 113 1HB ASP 113 -11.692 -3.114 2.144 864 HB3 ASP 113 2HB ASP 113 -12.871 -3.010 3.448 865 H GLN 114 H GLN 114 -9.799 -0.687 5.387 866 HA GLN 114 HA GLN 114 -10.660 -0.960 7.925 867 HB2 GLN 114 1HB GLN 114 -10.278 1.349 8.270 868 HB3 GLN 114 2HB GLN 114 -9.192 0.875 6.971 869 HG2 GLN 114 1HG GLN 114 -10.514 1.927 5.338 870 HG3 GLN 114 2HG GLN 114 -11.877 2.101 6.442 871 HE21 GLN 114 1HE2 GLN 114 -11.243 4.301 5.193 872 HE22 GLN 114 2HE2 GLN 114 -10.375 5.405 6.197 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -17.983 -9.831 28.308 2 HA2 GLY 1 1HA GLY 1 -20.236 -10.268 26.860 3 HA3 GLY 1 2HA GLY 1 -19.836 -8.601 26.471 4 H SER 2 H SER 2 -19.665 -11.510 25.205 5 HA SER 2 HA SER 2 -17.380 -10.839 23.556 6 HB2 SER 2 1HB SER 2 -16.121 -12.818 23.943 7 HB3 SER 2 2HB SER 2 -16.514 -12.186 25.542 8 HG SER 2 HG SER 2 -16.874 -14.536 25.072 9 H SER 3 H SER 3 -17.181 -12.305 21.682 10 HA SER 3 HA SER 3 -19.680 -13.722 21.058 11 HB2 SER 3 1HB SER 3 -19.514 -12.785 18.723 12 HB3 SER 3 2HB SER 3 -19.916 -11.598 19.963 13 HG SER 3 HG SER 3 -17.299 -12.064 18.968 14 H GLY 4 H GLY 4 -19.496 -15.385 19.479 15 HA2 GLY 4 1HA GLY 4 -16.713 -16.292 19.062 16 HA3 GLY 4 2HA GLY 4 -18.038 -17.390 19.419 17 H SER 5 H SER 5 -16.510 -15.420 16.990 18 HA SER 5 HA SER 5 -18.414 -15.758 14.934 19 HB2 SER 5 1HB SER 5 -15.530 -14.978 15.043 20 HB3 SER 5 2HB SER 5 -16.236 -15.385 13.479 21 HG SER 5 HG SER 5 -17.124 -13.390 15.291 22 H SER 6 H SER 6 -18.304 -17.110 13.064 23 HA SER 6 HA SER 6 -17.998 -19.816 13.589 24 HB2 SER 6 1HB SER 6 -18.207 -18.215 11.063 25 HB3 SER 6 2HB SER 6 -17.865 -19.942 10.968 26 HG SER 6 HG SER 6 -19.785 -20.045 12.500 27 H GLY 7 H GLY 7 -15.839 -17.757 11.626 28 HA2 GLY 7 1HA GLY 7 -13.734 -19.788 11.968 29 HA3 GLY 7 2HA GLY 7 -13.778 -18.575 10.697 30 H MET 8 H MET 8 -12.014 -19.412 13.201 31 HA MET 8 HA MET 8 -11.750 -17.369 14.986 32 HB2 MET 8 1HB MET 8 -9.364 -17.951 15.145 33 HB3 MET 8 2HB MET 8 -10.385 -19.382 15.090 34 HG2 MET 8 1HG MET 8 -9.895 -19.425 12.589 35 HG3 MET 8 2HG MET 8 -8.616 -18.266 12.945 36 HE1 MET 8 3HE MET 8 -6.439 -18.843 13.233 37 HE2 MET 8 1HE MET 8 -6.592 -19.020 14.981 38 HE3 MET 8 2HE MET 8 -5.755 -20.255 14.040 39 H ALA 9 H ALA 9 -10.363 -17.497 11.721 40 HA ALA 9 HA ALA 9 -9.888 -14.593 11.907 41 HB1 ALA 9 3HB ALA 9 -7.791 -15.877 11.834 42 HB2 ALA 9 1HB ALA 9 -8.293 -16.582 10.296 43 HB3 ALA 9 2HB ALA 9 -7.995 -14.847 10.417 44 H SER 10 H SER 10 -10.803 -13.341 10.393 45 HA SER 10 HA SER 10 -11.917 -14.636 7.996 46 HB2 SER 10 1HB SER 10 -13.877 -13.095 8.183 47 HB3 SER 10 2HB SER 10 -13.773 -14.258 9.505 48 HG SER 10 HG SER 10 -14.200 -12.177 10.298 49 H THR 11 H THR 11 -11.337 -11.420 9.428 50 HA THR 11 HA THR 11 -9.905 -10.634 7.009 51 HB THR 11 HB THR 11 -11.145 -8.478 6.887 52 HG1 THR 11 1HG THR 11 -13.331 -8.664 7.941 53 HG21 THR 11 3HG2 THR 11 -12.558 -11.083 6.419 54 HG22 THR 11 1HG2 THR 11 -11.797 -10.009 5.246 55 HG23 THR 11 2HG2 THR 11 -13.321 -9.548 6.006 56 H PHE 12 H PHE 12 -8.143 -9.480 7.477 57 HA PHE 12 HA PHE 12 -7.477 -8.893 10.182 58 HB2 PHE 12 1HB PHE 12 -6.100 -8.110 7.605 59 HB3 PHE 12 2HB PHE 12 -5.413 -7.911 9.214 60 HD1 PHE 12 2HD PHE 12 -6.523 -10.393 6.722 61 HD2 PHE 12 1HD PHE 12 -4.394 -9.715 10.345 62 HE1 PHE 12 2HE PHE 12 -5.611 -12.675 6.609 63 HE2 PHE 12 1HE PHE 12 -3.478 -11.996 10.238 64 HZ PHE 12 HZ PHE 12 -4.087 -13.480 8.369 65 H ASN 13 H ASN 13 -6.544 -6.665 10.740 66 HA ASN 13 HA ASN 13 -8.482 -4.620 9.882 67 HB2 ASN 13 1HB ASN 13 -6.935 -4.652 12.477 68 HB3 ASN 13 2HB ASN 13 -8.292 -3.613 12.051 69 HD21 ASN 13 1HD2 ASN 13 -8.388 -4.993 14.360 70 HD22 ASN 13 2HD2 ASN 13 -9.543 -6.274 14.253 71 HA PRO 14 HA PRO 14 -4.500 -3.088 8.220 72 HB2 PRO 14 1HB PRO 14 -5.643 -1.769 6.140 73 HB3 PRO 14 2HB PRO 14 -5.262 -3.494 6.091 74 HG2 PRO 14 1HG PRO 14 -7.880 -2.146 6.630 75 HG3 PRO 14 2HG PRO 14 -7.540 -3.568 5.626 76 HD2 PRO 14 1HD PRO 14 -8.542 -3.762 8.134 77 HD3 PRO 14 2HD PRO 14 -7.459 -4.987 7.441 78 H ARG 15 H ARG 15 -3.929 -0.774 7.560 79 HA ARG 15 HA ARG 15 -5.448 1.147 9.198 80 HB2 ARG 15 1HB ARG 15 -3.259 0.413 10.216 81 HB3 ARG 15 2HB ARG 15 -2.450 1.161 8.846 82 HG2 ARG 15 1HG ARG 15 -3.485 3.321 9.471 83 HG3 ARG 15 2HG ARG 15 -4.158 2.541 10.904 84 HD2 ARG 15 1HD ARG 15 -1.222 2.403 10.344 85 HD3 ARG 15 2HD ARG 15 -1.919 3.843 11.085 86 HE ARG 15 HE ARG 15 -2.619 1.355 12.374 87 HH11 ARG 15 1HH1 ARG 15 -0.384 4.021 12.231 88 HH12 ARG 15 2HH1 ARG 15 0.172 3.811 13.858 89 HH21 ARG 15 1HH2 ARG 15 -1.895 1.069 14.517 90 HH22 ARG 15 2HH2 ARG 15 -0.687 2.131 15.158 91 H GLU 16 H GLU 16 -6.480 2.341 7.704 92 HA GLU 16 HA GLU 16 -5.366 2.971 5.154 93 HB2 GLU 16 1HB GLU 16 -7.749 2.809 5.339 94 HB3 GLU 16 2HB GLU 16 -7.788 4.003 6.629 95 HG2 GLU 16 1HG GLU 16 -6.746 4.732 3.926 96 HG3 GLU 16 2HG GLU 16 -8.480 4.687 4.238 97 H CYS 17 H CYS 17 -4.629 4.953 4.376 98 HA CYS 17 HA CYS 17 -4.172 7.097 6.310 99 HB2 CYS 17 1HB CYS 17 -1.994 5.754 4.701 100 HB3 CYS 17 2HB CYS 17 -1.795 7.295 5.526 101 HG CYS 17 HG CYS 17 -1.652 6.382 7.999 102 H LYS 18 H LYS 18 -4.752 8.969 5.449 103 HA LYS 18 HA LYS 18 -4.996 9.175 2.539 104 HB2 LYS 18 1HB LYS 18 -6.234 10.637 4.846 105 HB3 LYS 18 2HB LYS 18 -6.210 11.374 3.250 106 HG2 LYS 18 1HG LYS 18 -7.226 9.073 2.514 107 HG3 LYS 18 2HG LYS 18 -7.691 8.980 4.214 108 HD2 LYS 18 1HD LYS 18 -8.573 11.405 3.806 109 HD3 LYS 18 2HD LYS 18 -8.556 10.919 2.109 110 HE2 LYS 18 1HE LYS 18 -10.723 10.423 2.862 111 HE3 LYS 18 2HE LYS 18 -9.881 8.875 2.851 112 HZ1 LYS 18 3HZ LYS 18 -9.452 9.940 5.354 113 HZ2 LYS 18 1HZ LYS 18 -10.483 8.659 4.958 114 HZ3 LYS 18 2HZ LYS 18 -11.084 10.239 5.027 115 H LEU 19 H LEU 19 -3.372 10.078 1.472 116 HA LEU 19 HA LEU 19 -1.615 11.968 2.854 117 HB2 LEU 19 1HB LEU 19 -1.343 10.148 0.531 118 HB3 LEU 19 2HB LEU 19 -0.407 11.641 0.498 119 HG LEU 19 HG LEU 19 0.318 10.817 2.907 120 HD11 LEU 19 1HD1 LEU 19 0.333 8.133 1.757 121 HD12 LEU 19 2HD1 LEU 19 -1.272 8.712 2.202 122 HD13 LEU 19 3HD1 LEU 19 0.013 8.661 3.409 123 HD21 LEU 19 3HD2 LEU 19 2.188 10.977 1.706 124 HD22 LEU 19 1HD2 LEU 19 1.366 10.503 0.219 125 HD23 LEU 19 2HD2 LEU 19 1.973 9.269 1.323 126 H SER 20 H SER 20 -1.176 14.021 2.065 127 HA SER 20 HA SER 20 -2.810 14.964 -0.185 128 HB2 SER 20 1HB SER 20 -3.290 17.055 1.121 129 HB3 SER 20 2HB SER 20 -4.065 15.609 1.769 130 HG SER 20 HG SER 20 -2.167 15.496 3.201 131 H LYS 21 H LYS 21 -1.507 15.809 -1.655 132 HA LYS 21 HA LYS 21 0.919 17.217 -0.749 133 HB2 LYS 21 1HB LYS 21 2.020 16.511 -2.797 134 HB3 LYS 21 2HB LYS 21 1.419 15.106 -1.925 135 HG2 LYS 21 1HG LYS 21 -0.290 14.731 -3.463 136 HG3 LYS 21 2HG LYS 21 -0.178 16.364 -4.125 137 HD2 LYS 21 1HD LYS 21 2.129 14.460 -4.329 138 HD3 LYS 21 2HD LYS 21 0.798 14.396 -5.487 139 HE2 LYS 21 1HE LYS 21 2.102 17.015 -4.905 140 HE3 LYS 21 2HE LYS 21 2.922 15.863 -5.957 141 HZ1 LYS 21 3HZ LYS 21 0.830 15.786 -7.285 142 HZ2 LYS 21 1HZ LYS 21 1.623 17.280 -7.318 143 HZ3 LYS 21 2HZ LYS 21 0.246 17.075 -6.358 144 H GLN 22 H GLN 22 1.716 18.858 -2.347 145 HA GLN 22 HA GLN 22 -0.542 20.488 -3.206 146 HB2 GLN 22 1HB GLN 22 2.402 21.086 -2.907 147 HB3 GLN 22 2HB GLN 22 1.238 22.242 -3.542 148 HG2 GLN 22 1HG GLN 22 1.185 21.008 -0.796 149 HG3 GLN 22 2HG GLN 22 1.705 22.646 -1.191 150 HE21 GLN 22 1HE2 GLN 22 -0.244 22.266 0.656 151 HE22 GLN 22 2HE2 GLN 22 -1.768 22.789 0.032 152 H GLU 23 H GLU 23 0.064 21.896 -5.252 153 HA GLU 23 HA GLU 23 0.328 19.996 -7.418 154 HB2 GLU 23 1HB GLU 23 -1.367 21.477 -7.910 155 HB3 GLU 23 2HB GLU 23 -0.541 22.837 -7.163 156 HG2 GLU 23 1HG GLU 23 0.656 23.324 -9.036 157 HG3 GLU 23 2HG GLU 23 0.659 21.656 -9.604 158 H GLY 24 H GLY 24 2.422 19.382 -7.681 159 HA2 GLY 24 1HA GLY 24 4.314 20.044 -9.134 160 HA3 GLY 24 2HA GLY 24 4.359 21.547 -8.226 161 H GLN 25 H GLN 25 3.900 20.233 -5.657 162 HA GLN 25 HA GLN 25 6.648 19.490 -5.137 163 HB2 GLN 25 1HB GLN 25 4.982 20.953 -3.690 164 HB3 GLN 25 2HB GLN 25 4.539 19.385 -3.028 165 HG2 GLN 25 1HG GLN 25 7.077 19.073 -2.683 166 HG3 GLN 25 2HG GLN 25 7.153 20.823 -2.882 167 HE21 GLN 25 1HE2 GLN 25 5.227 18.405 -1.135 168 HE22 GLN 25 2HE2 GLN 25 5.172 19.276 0.355 169 H ASN 26 H ASN 26 7.330 17.542 -4.197 170 HA ASN 26 HA ASN 26 5.796 15.242 -5.036 171 HB2 ASN 26 1HB ASN 26 7.859 14.045 -3.969 172 HB3 ASN 26 2HB ASN 26 8.056 14.929 -5.479 173 HD21 ASN 26 1HD2 ASN 26 9.589 16.413 -5.577 174 HD22 ASN 26 2HD2 ASN 26 10.433 17.080 -4.224 175 H TYR 27 H TYR 27 5.846 13.298 -3.446 176 HA TYR 27 HA TYR 27 4.374 14.133 -1.103 177 HB2 TYR 27 1HB TYR 27 4.839 11.573 -2.544 178 HB3 TYR 27 2HB TYR 27 4.447 11.471 -0.831 179 HD1 TYR 27 2HD TYR 27 2.374 12.996 -0.119 180 HD2 TYR 27 1HD TYR 27 3.090 11.523 -4.045 181 HE1 TYR 27 2HE TYR 27 -0.015 13.253 -0.645 182 HE2 TYR 27 1HE TYR 27 0.704 11.777 -4.583 183 HH TYR 27 HH TYR 27 -1.552 13.232 -2.283 184 H GLY 28 H GLY 28 7.477 12.649 -1.848 185 HA2 GLY 28 1HA GLY 28 9.314 13.201 -0.313 186 HA3 GLY 28 2HA GLY 28 8.188 12.922 1.007 187 H PHE 29 H PHE 29 7.074 10.547 -0.436 188 HA PHE 29 HA PHE 29 9.239 8.684 0.270 189 HB2 PHE 29 1HB PHE 29 7.633 7.132 0.986 190 HB3 PHE 29 2HB PHE 29 6.997 8.676 1.544 191 HD1 PHE 29 1HD PHE 29 5.133 9.755 0.310 192 HD2 PHE 29 2HD PHE 29 6.462 5.811 -0.582 193 HE1 PHE 29 1HE PHE 29 3.025 9.318 -0.881 194 HE2 PHE 29 2HE PHE 29 4.357 5.368 -1.776 195 HZ PHE 29 HZ PHE 29 2.635 7.123 -1.927 196 H PHE 30 H PHE 30 9.276 6.625 -0.942 197 HA PHE 30 HA PHE 30 8.255 6.860 -3.683 198 HB2 PHE 30 1HB PHE 30 11.095 6.085 -2.983 199 HB3 PHE 30 2HB PHE 30 10.403 6.138 -4.601 200 HD1 PHE 30 1HD PHE 30 9.678 8.353 -5.537 201 HD2 PHE 30 2HD PHE 30 11.994 8.004 -1.983 202 HE1 PHE 30 1HE PHE 30 10.355 10.709 -5.751 203 HE2 PHE 30 2HE PHE 30 12.674 10.359 -2.191 204 HZ PHE 30 HZ PHE 30 11.853 11.715 -4.076 205 H LEU 31 H LEU 31 8.399 4.775 -4.881 206 HA LEU 31 HA LEU 31 7.796 2.560 -3.053 207 HB2 LEU 31 1HB LEU 31 7.131 2.926 -5.970 208 HB3 LEU 31 2HB LEU 31 6.676 1.535 -4.990 209 HG LEU 31 HG LEU 31 5.775 4.313 -4.291 210 HD11 LEU 31 1HD1 LEU 31 5.053 3.964 -6.563 211 HD12 LEU 31 2HD1 LEU 31 3.673 3.795 -5.478 212 HD13 LEU 31 3HD1 LEU 31 4.440 2.360 -6.159 213 HD21 LEU 31 3HD2 LEU 31 5.524 1.774 -3.094 214 HD22 LEU 31 1HD2 LEU 31 3.936 2.200 -3.732 215 HD23 LEU 31 2HD2 LEU 31 4.755 3.287 -2.610 216 H ARG 32 H ARG 32 9.423 1.208 -2.704 217 HA ARG 32 HA ARG 32 11.331 0.695 -4.884 218 HB2 ARG 32 1HB ARG 32 11.649 0.288 -1.904 219 HB3 ARG 32 2HB ARG 32 12.872 -0.075 -3.114 220 HG2 ARG 32 1HG ARG 32 11.729 2.679 -2.837 221 HG3 ARG 32 2HG ARG 32 13.061 2.123 -1.821 222 HD2 ARG 32 1HD ARG 32 13.063 2.113 -4.837 223 HD3 ARG 32 2HD ARG 32 13.813 3.354 -3.833 224 HE ARG 32 HE ARG 32 14.711 0.672 -3.277 225 HH11 ARG 32 1HH1 ARG 32 15.200 3.542 -5.187 226 HH12 ARG 32 2HH1 ARG 32 16.864 3.192 -5.522 227 HH21 ARG 32 1HH2 ARG 32 16.900 0.201 -3.712 228 HH22 ARG 32 2HH2 ARG 32 17.829 1.292 -4.684 229 H ILE 33 H ILE 33 12.141 -1.496 -5.121 230 HA ILE 33 HA ILE 33 10.113 -3.502 -4.382 231 HB ILE 33 HB ILE 33 10.810 -4.766 -6.382 232 HG12 ILE 33 1HG1 ILE 33 12.267 -2.330 -7.352 233 HG13 ILE 33 2HG1 ILE 33 13.112 -3.526 -6.376 234 HG21 ILE 33 1HG2 ILE 33 9.356 -3.668 -7.725 235 HG22 ILE 33 2HG2 ILE 33 9.069 -2.740 -6.254 236 HG23 ILE 33 3HG2 ILE 33 10.150 -2.110 -7.496 237 HD11 ILE 33 3HD1 ILE 33 12.699 -5.230 -7.999 238 HD12 ILE 33 1HD1 ILE 33 11.659 -4.153 -8.932 239 HD13 ILE 33 2HD1 ILE 33 13.389 -3.828 -8.816 240 H GLU 34 H GLU 34 10.773 -5.501 -3.633 241 HA GLU 34 HA GLU 34 13.653 -5.806 -3.095 242 HB2 GLU 34 1HB GLU 34 12.016 -5.178 -1.123 243 HB3 GLU 34 2HB GLU 34 11.634 -6.893 -1.178 244 HG2 GLU 34 1HG GLU 34 13.304 -6.784 0.410 245 HG3 GLU 34 2HG GLU 34 14.180 -7.243 -1.049 246 H LYS 35 H LYS 35 14.378 -8.012 -2.820 247 HA LYS 35 HA LYS 35 13.105 -9.783 -4.700 248 HB2 LYS 35 1HB LYS 35 15.508 -9.682 -4.708 249 HB3 LYS 35 2HB LYS 35 15.580 -10.057 -2.991 250 HG2 LYS 35 1HG LYS 35 16.167 -12.041 -4.082 251 HG3 LYS 35 2HG LYS 35 14.490 -12.272 -3.581 252 HD2 LYS 35 1HD LYS 35 14.335 -12.994 -5.741 253 HD3 LYS 35 2HD LYS 35 14.020 -11.275 -5.991 254 HE2 LYS 35 1HE LYS 35 15.615 -12.010 -7.627 255 HE3 LYS 35 2HE LYS 35 16.435 -10.960 -6.473 256 HZ1 LYS 35 3HZ LYS 35 17.498 -12.767 -5.478 257 HZ2 LYS 35 1HZ LYS 35 17.601 -13.097 -7.135 258 HZ3 LYS 35 2HZ LYS 35 16.459 -13.902 -6.181 259 H ASP 36 H ASP 36 12.364 -11.900 -4.262 260 HA ASP 36 HA ASP 36 10.925 -13.284 -3.135 261 HB2 ASP 36 1HB ASP 36 11.939 -14.318 -1.142 262 HB3 ASP 36 2HB ASP 36 13.103 -14.157 -2.454 263 H THR 37 H THR 37 9.954 -10.771 -2.929 264 HA THR 37 HA THR 37 8.759 -10.806 -0.260 265 HB THR 37 HB THR 37 9.956 -8.327 -1.512 266 HG1 THR 37 1HG THR 37 11.607 -9.136 -0.423 267 HG21 THR 37 3HG2 THR 37 8.182 -7.371 -0.458 268 HG22 THR 37 1HG2 THR 37 9.236 -7.538 0.945 269 HG23 THR 37 2HG2 THR 37 7.968 -8.728 0.648 270 H ASP 38 H ASP 38 6.665 -10.007 -0.163 271 HA ASP 38 HA ASP 38 5.373 -9.664 -2.772 272 HB2 ASP 38 1HB ASP 38 4.426 -10.595 -0.085 273 HB3 ASP 38 2HB ASP 38 3.263 -9.955 -1.243 274 H GLY 39 H GLY 39 3.557 -8.108 -2.899 275 HA2 GLY 39 1HA GLY 39 2.768 -5.956 -2.776 276 HA3 GLY 39 2HA GLY 39 3.148 -6.038 -1.062 277 H HIS 40 H HIS 40 3.387 -3.653 -2.322 278 HA HIS 40 HA HIS 40 6.158 -3.282 -3.116 279 HB2 HIS 40 1HB HIS 40 3.682 -1.633 -3.188 280 HB3 HIS 40 2HB HIS 40 5.221 -0.781 -3.107 281 HD1 HIS 40 1HD HIS 40 6.813 -1.016 -5.154 282 HD2 HIS 40 2HD HIS 40 3.120 -2.860 -5.621 283 HE1 HIS 40 1HE HIS 40 6.622 -1.526 -7.609 284 HE2 HIS 40 2HE HIS 40 4.344 -2.564 -7.880 285 H LEU 41 H LEU 41 7.726 -2.378 -1.898 286 HA LEU 41 HA LEU 41 7.090 -1.865 0.910 287 HB2 LEU 41 1HB LEU 41 9.517 -2.660 -0.597 288 HB3 LEU 41 2HB LEU 41 9.749 -1.709 0.869 289 HG LEU 41 HG LEU 41 8.041 -4.144 1.016 290 HD11 LEU 41 1HD1 LEU 41 10.035 -5.523 1.436 291 HD12 LEU 41 2HD1 LEU 41 11.054 -4.179 0.920 292 HD13 LEU 41 3HD1 LEU 41 9.955 -4.944 -0.228 293 HD21 LEU 41 3HD2 LEU 41 8.090 -3.320 3.104 294 HD22 LEU 41 1HD2 LEU 41 9.546 -2.371 2.806 295 HD23 LEU 41 2HD2 LEU 41 9.676 -4.090 3.183 296 H ILE 42 H ILE 42 7.524 0.052 1.939 297 HA ILE 42 HA ILE 42 8.084 2.334 0.171 298 HB ILE 42 HB ILE 42 6.716 2.249 2.862 299 HG12 ILE 42 1HG1 ILE 42 5.480 3.218 0.312 300 HG13 ILE 42 2HG1 ILE 42 5.574 1.488 0.620 301 HG21 ILE 42 1HG2 ILE 42 6.410 4.598 2.715 302 HG22 ILE 42 2HG2 ILE 42 8.123 4.289 2.439 303 HG23 ILE 42 3HG2 ILE 42 7.061 4.647 1.078 304 HD11 ILE 42 3HD1 ILE 42 4.467 2.063 2.874 305 HD12 ILE 42 1HD1 ILE 42 4.041 3.584 2.091 306 HD13 ILE 42 2HD1 ILE 42 3.482 2.056 1.411 307 H ARG 43 H ARG 43 10.140 2.953 0.221 308 HA ARG 43 HA ARG 43 11.451 3.217 2.839 309 HB2 ARG 43 1HB ARG 43 12.164 1.215 1.242 310 HB3 ARG 43 2HB ARG 43 13.114 2.482 0.478 311 HG2 ARG 43 1HG ARG 43 13.887 2.959 2.934 312 HG3 ARG 43 2HG ARG 43 13.373 1.290 3.191 313 HD2 ARG 43 1HD ARG 43 15.126 1.934 0.866 314 HD3 ARG 43 2HD ARG 43 15.836 1.846 2.477 315 HE ARG 43 HE ARG 43 14.310 -0.446 2.133 316 HH11 ARG 43 1HH1 ARG 43 17.115 1.039 0.702 317 HH12 ARG 43 2HH1 ARG 43 17.835 -0.467 0.236 318 HH21 ARG 43 1HH2 ARG 43 15.248 -2.434 1.524 319 HH22 ARG 43 2HH2 ARG 43 16.772 -2.441 0.703 320 H VAL 44 H VAL 44 13.273 4.745 2.823 321 HA VAL 44 HA VAL 44 14.304 6.710 2.267 322 HB VAL 44 HB VAL 44 12.855 6.685 -0.373 323 HG11 VAL 44 1HG1 VAL 44 14.540 8.117 -1.130 324 HG12 VAL 44 2HG1 VAL 44 14.179 8.703 0.495 325 HG13 VAL 44 3HG1 VAL 44 15.612 7.714 0.210 326 HG21 VAL 44 3HG2 VAL 44 15.520 5.391 0.179 327 HG22 VAL 44 1HG2 VAL 44 14.000 4.501 0.080 328 HG23 VAL 44 2HG2 VAL 44 14.605 5.374 -1.329 329 H ILE 45 H ILE 45 12.229 6.918 3.894 330 HA ILE 45 HA ILE 45 10.285 8.810 2.865 331 HB ILE 45 HB ILE 45 10.655 7.764 5.674 332 HG12 ILE 45 1HG1 ILE 45 8.509 6.971 3.714 333 HG13 ILE 45 2HG1 ILE 45 10.044 6.115 3.800 334 HG21 ILE 45 1HG2 ILE 45 8.008 8.681 5.003 335 HG22 ILE 45 2HG2 ILE 45 9.057 9.159 6.337 336 HG23 ILE 45 3HG2 ILE 45 9.196 9.964 4.774 337 HD11 ILE 45 3HD1 ILE 45 7.741 5.695 5.339 338 HD12 ILE 45 1HD1 ILE 45 9.314 4.915 5.502 339 HD13 ILE 45 2HD1 ILE 45 8.953 6.374 6.426 340 H GLU 46 H GLU 46 11.220 10.752 2.465 341 HA GLU 46 HA GLU 46 13.280 11.965 3.872 342 HB2 GLU 46 1HB GLU 46 12.339 12.674 1.644 343 HB3 GLU 46 2HB GLU 46 11.014 13.431 2.518 344 HG2 GLU 46 1HG GLU 46 12.458 15.189 2.141 345 HG3 GLU 46 2HG GLU 46 12.861 14.698 3.785 346 H GLU 47 H GLU 47 13.347 13.576 5.469 347 HA GLU 47 HA GLU 47 11.447 13.245 7.566 348 HB2 GLU 47 1HB GLU 47 13.928 13.760 7.811 349 HB3 GLU 47 2HB GLU 47 13.529 15.418 7.384 350 HG2 GLU 47 1HG GLU 47 12.344 15.775 9.342 351 HG3 GLU 47 2HG GLU 47 12.116 14.052 9.634 352 H GLY 48 H GLY 48 10.272 15.021 8.610 353 HA2 GLY 48 1HA GLY 48 8.564 16.559 8.460 354 HA3 GLY 48 2HA GLY 48 9.775 17.527 7.631 355 H SER 49 H SER 49 8.436 14.493 6.452 356 HA SER 49 HA SER 49 7.342 15.969 4.155 357 HB2 SER 49 1HB SER 49 7.865 14.184 2.792 358 HB3 SER 49 2HB SER 49 9.136 14.021 4.003 359 HG SER 49 HG SER 49 8.308 12.181 4.564 360 HA PRO 50 HA PRO 50 3.210 14.878 5.150 361 HB2 PRO 50 1HB PRO 50 2.136 14.538 2.680 362 HB3 PRO 50 2HB PRO 50 2.567 16.124 3.330 363 HG2 PRO 50 1HG PRO 50 4.088 14.380 1.432 364 HG3 PRO 50 2HG PRO 50 3.826 16.133 1.376 365 HD2 PRO 50 1HD PRO 50 6.130 15.031 2.277 366 HD3 PRO 50 2HD PRO 50 5.485 16.556 2.919 367 H ALA 51 H ALA 51 5.266 12.693 3.520 368 HA ALA 51 HA ALA 51 3.408 10.536 3.227 369 HB1 ALA 51 3HB ALA 51 5.142 9.338 2.329 370 HB2 ALA 51 1HB ALA 51 5.708 10.984 2.042 371 HB3 ALA 51 2HB ALA 51 6.342 10.057 3.404 372 H GLU 52 H GLU 52 5.914 11.374 5.594 373 HA GLU 52 HA GLU 52 5.492 9.042 7.190 374 HB2 GLU 52 1HB GLU 52 7.626 10.326 7.141 375 HB3 GLU 52 2HB GLU 52 6.813 11.647 7.968 376 HG2 GLU 52 1HG GLU 52 8.002 10.456 9.614 377 HG3 GLU 52 2HG GLU 52 6.304 10.034 9.824 378 H LYS 53 H LYS 53 4.521 12.444 7.469 379 HA LYS 53 HA LYS 53 3.327 12.554 9.893 380 HB2 LYS 53 1HB LYS 53 2.473 13.710 7.255 381 HB3 LYS 53 2HB LYS 53 1.537 14.012 8.713 382 HG2 LYS 53 1HG LYS 53 3.736 14.816 9.739 383 HG3 LYS 53 2HG LYS 53 4.344 14.849 8.082 384 HD2 LYS 53 1HD LYS 53 3.568 16.990 8.239 385 HD3 LYS 53 2HD LYS 53 2.098 16.193 7.674 386 HE2 LYS 53 1HE LYS 53 1.130 16.215 9.800 387 HE3 LYS 53 2HE LYS 53 2.675 16.493 10.601 388 HZ1 LYS 53 3HZ LYS 53 2.388 18.651 8.969 389 HZ2 LYS 53 1HZ LYS 53 2.077 18.621 10.632 390 HZ3 LYS 53 2HZ LYS 53 0.814 18.387 9.532 391 H ALA 54 H ALA 54 2.166 10.814 7.094 392 HA ALA 54 HA ALA 54 -0.390 10.201 8.309 393 HB1 ALA 54 3HB ALA 54 -0.723 10.301 6.063 394 HB2 ALA 54 1HB ALA 54 0.893 9.705 5.684 395 HB3 ALA 54 2HB ALA 54 -0.363 8.580 6.201 396 H GLY 55 H GLY 55 1.987 9.372 9.751 397 HA2 GLY 55 1HA GLY 55 2.761 7.554 10.918 398 HA3 GLY 55 2HA GLY 55 1.206 6.816 10.562 399 H LEU 56 H LEU 56 3.270 7.785 7.953 400 HA LEU 56 HA LEU 56 3.509 5.013 7.124 401 HB2 LEU 56 1HB LEU 56 2.943 7.099 5.665 402 HB3 LEU 56 2HB LEU 56 4.691 7.316 5.632 403 HG LEU 56 HG LEU 56 4.866 4.997 4.688 404 HD11 LEU 56 1HD1 LEU 56 3.060 3.740 4.143 405 HD12 LEU 56 2HD1 LEU 56 2.026 5.141 3.865 406 HD13 LEU 56 3HD1 LEU 56 2.365 4.608 5.512 407 HD21 LEU 56 3HD2 LEU 56 5.046 6.064 2.752 408 HD22 LEU 56 1HD2 LEU 56 4.186 7.437 3.448 409 HD23 LEU 56 2HD2 LEU 56 3.291 6.168 2.613 410 H LEU 57 H LEU 57 5.165 3.828 7.788 411 HA LEU 57 HA LEU 57 7.746 5.156 8.283 412 HB2 LEU 57 1HB LEU 57 6.561 2.652 9.462 413 HB3 LEU 57 2HB LEU 57 8.238 3.141 9.694 414 HG LEU 57 HG LEU 57 7.201 5.326 10.645 415 HD11 LEU 57 1HD1 LEU 57 4.892 4.676 9.897 416 HD12 LEU 57 2HD1 LEU 57 5.034 5.145 11.591 417 HD13 LEU 57 3HD1 LEU 57 4.912 3.441 11.156 418 HD21 LEU 57 3HD2 LEU 57 6.616 3.479 12.709 419 HD22 LEU 57 1HD2 LEU 57 8.075 4.443 12.480 420 HD23 LEU 57 2HD2 LEU 57 7.965 2.830 11.775 421 H ASP 58 H ASP 58 9.668 3.697 7.944 422 HA ASP 58 HA ASP 58 9.534 2.620 5.275 423 HB2 ASP 58 1HB ASP 58 11.848 2.686 5.274 424 HB3 ASP 58 2HB ASP 58 11.470 3.961 6.428 425 H GLY 59 H GLY 59 9.071 0.584 4.788 426 HA2 GLY 59 1HA GLY 59 9.776 -1.762 5.076 427 HA3 GLY 59 2HA GLY 59 9.646 -1.495 6.808 428 H ASP 60 H ASP 60 7.217 0.021 4.969 429 HA ASP 60 HA ASP 60 5.280 -1.968 5.905 430 HB2 ASP 60 1HB ASP 60 4.850 0.850 4.887 431 HB3 ASP 60 2HB ASP 60 3.591 -0.216 5.505 432 H ARG 61 H ARG 61 3.590 -2.710 4.523 433 HA ARG 61 HA ARG 61 4.346 -2.687 1.675 434 HB2 ARG 61 1HB ARG 61 3.077 -4.816 3.386 435 HB3 ARG 61 2HB ARG 61 2.988 -4.865 1.630 436 HG2 ARG 61 1HG ARG 61 4.809 -6.209 2.110 437 HG3 ARG 61 2HG ARG 61 5.551 -4.659 1.706 438 HD2 ARG 61 1HD ARG 61 5.680 -4.133 4.116 439 HD3 ARG 61 2HD ARG 61 5.019 -5.728 4.476 440 HE ARG 61 HE ARG 61 7.711 -5.105 3.632 441 HH11 ARG 61 1HH1 ARG 61 5.269 -7.563 3.968 442 HH12 ARG 61 2HH1 ARG 61 6.404 -8.872 3.981 443 HH21 ARG 61 1HH2 ARG 61 9.215 -6.820 3.648 444 HH22 ARG 61 2HH2 ARG 61 8.648 -8.448 3.799 445 H VAL 62 H VAL 62 3.008 -1.650 0.364 446 HA VAL 62 HA VAL 62 0.428 -0.756 1.287 447 HB VAL 62 HB VAL 62 1.716 0.781 -0.039 448 HG11 VAL 62 1HG1 VAL 62 1.684 -0.199 -2.641 449 HG12 VAL 62 2HG1 VAL 62 3.090 -0.038 -1.587 450 HG13 VAL 62 3HG1 VAL 62 2.207 -1.564 -1.655 451 HG21 VAL 62 3HG2 VAL 62 0.029 0.814 -2.140 452 HG22 VAL 62 1HG2 VAL 62 -0.861 -0.241 -1.042 453 HG23 VAL 62 2HG2 VAL 62 -0.405 1.384 -0.529 454 H LEU 63 H LEU 63 -1.322 -1.987 1.187 455 HA LEU 63 HA LEU 63 -1.466 -4.325 -0.455 456 HB2 LEU 63 1HB LEU 63 -3.745 -3.013 1.004 457 HB3 LEU 63 2HB LEU 63 -3.591 -4.705 0.534 458 HG LEU 63 HG LEU 63 -1.606 -3.579 2.448 459 HD11 LEU 63 1HD1 LEU 63 -2.990 -3.664 4.295 460 HD12 LEU 63 2HD1 LEU 63 -4.213 -4.627 3.466 461 HD13 LEU 63 3HD1 LEU 63 -4.031 -2.915 3.083 462 HD21 LEU 63 3HD2 LEU 63 -2.382 -6.027 3.328 463 HD22 LEU 63 1HD2 LEU 63 -1.047 -5.740 2.212 464 HD23 LEU 63 2HD2 LEU 63 -2.635 -6.190 1.590 465 H ARG 64 H ARG 64 -3.535 -1.417 -0.329 466 HA ARG 64 HA ARG 64 -4.011 -1.762 -3.217 467 HB2 ARG 64 1HB ARG 64 -5.888 -0.807 -1.055 468 HB3 ARG 64 2HB ARG 64 -6.212 -0.593 -2.770 469 HG2 ARG 64 1HG ARG 64 -5.771 -3.199 -2.811 470 HG3 ARG 64 2HG ARG 64 -6.259 -3.056 -1.121 471 HD2 ARG 64 1HD ARG 64 -8.374 -2.195 -1.698 472 HD3 ARG 64 2HD ARG 64 -7.876 -1.871 -3.358 473 HE ARG 64 HE ARG 64 -7.784 -4.653 -2.624 474 HH11 ARG 64 1HH1 ARG 64 -9.755 -2.071 -3.875 475 HH12 ARG 64 2HH1 ARG 64 -10.857 -3.132 -4.689 476 HH21 ARG 64 1HH2 ARG 64 -9.228 -6.060 -3.691 477 HH22 ARG 64 2HH2 ARG 64 -10.557 -5.401 -4.583 478 H ILE 65 H ILE 65 -3.803 -0.006 -4.524 479 HA ILE 65 HA ILE 65 -2.834 2.461 -3.243 480 HB ILE 65 HB ILE 65 -1.418 1.050 -4.965 481 HG12 ILE 65 1HG1 ILE 65 -0.634 3.105 -3.954 482 HG13 ILE 65 2HG1 ILE 65 -0.310 3.164 -5.684 483 HG21 ILE 65 1HG2 ILE 65 -2.968 2.851 -6.817 484 HG22 ILE 65 2HG2 ILE 65 -1.679 1.729 -7.248 485 HG23 ILE 65 3HG2 ILE 65 -3.229 1.113 -6.673 486 HD11 ILE 65 3HD1 ILE 65 -2.760 4.340 -5.534 487 HD12 ILE 65 1HD1 ILE 65 -2.006 4.863 -4.028 488 HD13 ILE 65 2HD1 ILE 65 -1.218 5.195 -5.571 489 H ASN 66 H ASN 66 -4.061 4.215 -3.374 490 HA ASN 66 HA ASN 66 -5.871 5.529 -3.858 491 HB2 ASN 66 1HB ASN 66 -4.149 5.803 -5.801 492 HB3 ASN 66 2HB ASN 66 -5.351 4.937 -6.754 493 HD21 ASN 66 1HD2 ASN 66 -5.232 7.592 -4.399 494 HD22 ASN 66 2HD2 ASN 66 -6.302 8.634 -5.268 495 H GLY 67 H GLY 67 -6.367 2.597 -3.632 496 HA2 GLY 67 1HA GLY 67 -8.457 1.523 -3.559 497 HA3 GLY 67 2HA GLY 67 -9.058 2.656 -4.760 498 H VAL 68 H VAL 68 -6.043 0.945 -5.174 499 HA VAL 68 HA VAL 68 -7.318 -0.930 -7.035 500 HB VAL 68 HB VAL 68 -4.919 0.770 -7.735 501 HG11 VAL 68 1HG1 VAL 68 -4.397 -0.809 -9.204 502 HG12 VAL 68 2HG1 VAL 68 -5.793 -1.771 -8.713 503 HG13 VAL 68 3HG1 VAL 68 -5.958 -0.563 -9.988 504 HG21 VAL 68 3HG2 VAL 68 -7.258 0.867 -9.477 505 HG22 VAL 68 1HG2 VAL 68 -7.566 1.481 -7.853 506 HG23 VAL 68 2HG2 VAL 68 -6.273 2.178 -8.829 507 H PHE 69 H PHE 69 -6.795 -2.869 -6.274 508 HA PHE 69 HA PHE 69 -4.724 -3.474 -4.530 509 HB2 PHE 69 1HB PHE 69 -6.721 -4.914 -5.043 510 HB3 PHE 69 2HB PHE 69 -5.921 -5.390 -6.538 511 HD1 PHE 69 2HD PHE 69 -4.932 -5.070 -2.949 512 HD2 PHE 69 1HD PHE 69 -4.994 -7.476 -6.460 513 HE1 PHE 69 2HE PHE 69 -3.749 -6.858 -1.741 514 HE2 PHE 69 1HE PHE 69 -3.813 -9.268 -5.257 515 HZ PHE 69 HZ PHE 69 -3.188 -8.960 -2.895 516 H VAL 70 H VAL 70 -2.600 -3.467 -4.793 517 HA VAL 70 HA VAL 70 -1.492 -4.198 -7.420 518 HB VAL 70 HB VAL 70 0.334 -2.532 -7.019 519 HG11 VAL 70 1HG1 VAL 70 -2.043 -0.825 -7.085 520 HG12 VAL 70 2HG1 VAL 70 -0.774 -1.054 -8.290 521 HG13 VAL 70 3HG1 VAL 70 -2.111 -2.201 -8.186 522 HG21 VAL 70 3HG2 VAL 70 0.303 -2.059 -4.744 523 HG22 VAL 70 1HG2 VAL 70 -0.423 -0.617 -5.455 524 HG23 VAL 70 2HG2 VAL 70 -1.447 -1.845 -4.710 525 H ASP 71 H ASP 71 -1.440 -6.288 -6.153 526 HA ASP 71 HA ASP 71 0.770 -6.425 -4.241 527 HB2 ASP 71 1HB ASP 71 -0.020 -8.680 -3.753 528 HB3 ASP 71 2HB ASP 71 -1.354 -7.535 -3.649 529 H LYS 72 H LYS 72 -0.315 -8.011 -7.236 530 HA LYS 72 HA LYS 72 2.386 -9.071 -7.629 531 HB2 LYS 72 1HB LYS 72 -0.321 -9.786 -8.633 532 HB3 LYS 72 2HB LYS 72 1.043 -10.105 -9.697 533 HG2 LYS 72 1HG LYS 72 1.118 -11.030 -6.859 534 HG3 LYS 72 2HG LYS 72 0.217 -11.944 -8.071 535 HD2 LYS 72 1HD LYS 72 2.223 -12.172 -9.424 536 HD3 LYS 72 2HD LYS 72 3.133 -11.188 -8.274 537 HE2 LYS 72 1HE LYS 72 3.620 -13.512 -7.881 538 HE3 LYS 72 2HE LYS 72 2.676 -12.887 -6.530 539 HZ1 LYS 72 3HZ LYS 72 2.047 -14.987 -8.360 540 HZ2 LYS 72 1HZ LYS 72 0.809 -13.838 -8.279 541 HZ3 LYS 72 2HZ LYS 72 1.339 -14.610 -6.871 542 H GLU 73 H GLU 73 0.319 -6.568 -8.690 543 HA GLU 73 HA GLU 73 1.079 -6.153 -11.318 544 HB2 GLU 73 1HB GLU 73 0.294 -4.256 -9.122 545 HB3 GLU 73 2HB GLU 73 0.714 -3.663 -10.722 546 HG2 GLU 73 1HG GLU 73 -1.370 -5.778 -10.342 547 HG3 GLU 73 2HG GLU 73 -1.752 -4.064 -10.187 548 H GLU 74 H GLU 74 2.596 -4.652 -12.258 549 HA GLU 74 HA GLU 74 5.170 -4.765 -10.909 550 HB2 GLU 74 1HB GLU 74 6.144 -4.238 -13.020 551 HB3 GLU 74 2HB GLU 74 4.872 -5.412 -13.322 552 HG2 GLU 74 1HG GLU 74 3.379 -3.444 -13.877 553 HG3 GLU 74 2HG GLU 74 4.845 -2.465 -13.877 554 H HIS 75 H HIS 75 6.538 -2.931 -10.660 555 HA HIS 75 HA HIS 75 5.483 -0.753 -9.407 556 HB2 HIS 75 1HB HIS 75 7.853 -1.224 -9.317 557 HB3 HIS 75 2HB HIS 75 8.025 -0.897 -11.039 558 HD1 HIS 75 1HD HIS 75 6.479 1.159 -8.225 559 HD2 HIS 75 2HD HIS 75 9.321 1.459 -11.241 560 HE1 HIS 75 1HE HIS 75 7.330 3.523 -8.114 561 HE2 HIS 75 2HE HIS 75 8.986 3.705 -10.003 562 H ALA 76 H ALA 76 6.646 -0.698 -12.782 563 HA ALA 76 HA ALA 76 5.949 1.779 -13.581 564 HB1 ALA 76 3HB ALA 76 5.397 0.765 -15.830 565 HB2 ALA 76 1HB ALA 76 6.969 0.342 -15.152 566 HB3 ALA 76 2HB ALA 76 5.636 -0.811 -15.076 567 H GLN 77 H GLN 77 3.711 -0.964 -13.320 568 HA GLN 77 HA GLN 77 1.432 0.402 -14.267 569 HB2 GLN 77 1HB GLN 77 1.928 -2.115 -12.755 570 HB3 GLN 77 2HB GLN 77 0.294 -1.465 -12.750 571 HG2 GLN 77 1HG GLN 77 1.868 -2.025 -15.250 572 HG3 GLN 77 2HG GLN 77 0.742 -3.163 -14.513 573 HE21 GLN 77 1HE2 GLN 77 1.096 -0.262 -16.345 574 HE22 GLN 77 2HE2 GLN 77 -0.573 -0.050 -16.736 575 H VAL 78 H VAL 78 2.761 -0.057 -11.026 576 HA VAL 78 HA VAL 78 0.596 1.178 -9.656 577 HB VAL 78 HB VAL 78 3.455 0.817 -8.745 578 HG11 VAL 78 1HG1 VAL 78 1.075 1.058 -6.947 579 HG12 VAL 78 2HG1 VAL 78 2.781 1.328 -6.586 580 HG13 VAL 78 3HG1 VAL 78 1.887 2.500 -7.555 581 HG21 VAL 78 3HG2 VAL 78 1.220 -0.920 -7.829 582 HG22 VAL 78 1HG2 VAL 78 1.903 -1.208 -9.430 583 HG23 VAL 78 2HG2 VAL 78 2.937 -1.284 -8.003 584 H VAL 79 H VAL 79 3.938 2.339 -10.144 585 HA VAL 79 HA VAL 79 3.757 4.881 -9.245 586 HB VAL 79 HB VAL 79 5.831 4.013 -10.146 587 HG11 VAL 79 1HG1 VAL 79 5.208 2.729 -12.003 588 HG12 VAL 79 2HG1 VAL 79 4.352 4.075 -12.758 589 HG13 VAL 79 3HG1 VAL 79 6.114 4.079 -12.686 590 HG21 VAL 79 3HG2 VAL 79 5.407 6.489 -10.044 591 HG22 VAL 79 1HG2 VAL 79 6.661 5.990 -11.178 592 HG23 VAL 79 2HG2 VAL 79 5.060 6.430 -11.772 593 H GLU 80 H GLU 80 2.203 3.595 -12.062 594 HA GLU 80 HA GLU 80 1.623 6.114 -13.290 595 HB2 GLU 80 1HB GLU 80 1.711 4.063 -14.614 596 HB3 GLU 80 2HB GLU 80 0.373 3.391 -13.692 597 HG2 GLU 80 1HG GLU 80 -0.932 5.458 -14.512 598 HG3 GLU 80 2HG GLU 80 0.351 5.593 -15.712 599 H LEU 81 H LEU 81 -0.130 3.888 -11.177 600 HA LEU 81 HA LEU 81 -2.581 5.321 -11.219 601 HB2 LEU 81 1HB LEU 81 -1.461 3.351 -9.233 602 HB3 LEU 81 2HB LEU 81 -3.108 3.978 -9.188 603 HG LEU 81 HG LEU 81 -2.000 2.435 -11.525 604 HD11 LEU 81 1HD1 LEU 81 -3.762 0.771 -10.252 605 HD12 LEU 81 2HD1 LEU 81 -2.883 1.499 -8.908 606 HD13 LEU 81 3HD1 LEU 81 -2.004 0.653 -10.181 607 HD21 LEU 81 3HD2 LEU 81 -4.229 3.993 -11.343 608 HD22 LEU 81 1HD2 LEU 81 -4.862 2.405 -10.911 609 HD23 LEU 81 2HD2 LEU 81 -4.032 2.634 -12.450 610 H VAL 82 H VAL 82 0.139 5.242 -8.937 611 HA VAL 82 HA VAL 82 -0.825 6.885 -6.951 612 HB VAL 82 HB VAL 82 1.992 6.779 -8.038 613 HG11 VAL 82 1HG1 VAL 82 2.664 8.218 -6.469 614 HG12 VAL 82 2HG1 VAL 82 0.963 8.661 -6.306 615 HG13 VAL 82 3HG1 VAL 82 1.669 7.456 -5.228 616 HG21 VAL 82 3HG2 VAL 82 1.091 5.460 -5.519 617 HG22 VAL 82 1HG2 VAL 82 0.741 4.691 -7.067 618 HG23 VAL 82 2HG2 VAL 82 2.410 5.028 -6.606 619 H ARG 83 H ARG 83 0.665 7.817 -10.024 620 HA ARG 83 HA ARG 83 0.694 10.602 -9.516 621 HB2 ARG 83 1HB ARG 83 0.726 9.041 -12.102 622 HB3 ARG 83 2HB ARG 83 0.934 10.785 -12.012 623 HG2 ARG 83 1HG ARG 83 2.953 10.524 -10.724 624 HG3 ARG 83 2HG ARG 83 2.719 8.776 -10.656 625 HD2 ARG 83 1HD ARG 83 2.816 10.092 -13.322 626 HD3 ARG 83 2HD ARG 83 4.325 9.892 -12.432 627 HE ARG 83 HE ARG 83 2.887 7.459 -12.484 628 HH11 ARG 83 1HH1 ARG 83 4.789 9.556 -14.510 629 HH12 ARG 83 2HH1 ARG 83 5.331 8.277 -15.547 630 HH21 ARG 83 1HH2 ARG 83 3.594 5.768 -13.841 631 HH22 ARG 83 2HH2 ARG 83 4.650 6.124 -15.166 632 H LYS 84 H LYS 84 -1.444 8.700 -11.651 633 HA LYS 84 HA LYS 84 -3.241 10.672 -12.319 634 HB2 LYS 84 1HB LYS 84 -3.890 7.769 -11.776 635 HB3 LYS 84 2HB LYS 84 -4.865 8.882 -12.726 636 HG2 LYS 84 1HG LYS 84 -3.249 8.987 -14.443 637 HG3 LYS 84 2HG LYS 84 -2.029 8.197 -13.441 638 HD2 LYS 84 1HD LYS 84 -2.693 6.426 -14.732 639 HD3 LYS 84 2HD LYS 84 -3.825 6.263 -13.387 640 HE2 LYS 84 1HE LYS 84 -5.054 6.037 -15.426 641 HE3 LYS 84 2HE LYS 84 -5.472 7.591 -14.705 642 HZ1 LYS 84 3HZ LYS 84 -3.875 7.031 -17.108 643 HZ2 LYS 84 1HZ LYS 84 -3.584 8.450 -16.235 644 HZ3 LYS 84 2HZ LYS 84 -5.117 8.157 -16.884 645 H SER 85 H SER 85 -3.146 8.699 -9.399 646 HA SER 85 HA SER 85 -5.501 9.035 -8.187 647 HB2 SER 85 1HB SER 85 -2.822 9.573 -6.884 648 HB3 SER 85 2HB SER 85 -4.319 9.233 -6.017 649 HG SER 85 HG SER 85 -2.981 7.369 -6.327 650 H GLY 86 H GLY 86 -2.953 11.526 -7.924 651 HA2 GLY 86 1HA GLY 86 -3.623 13.843 -8.478 652 HA3 GLY 86 2HA GLY 86 -5.113 13.519 -7.605 653 H ASN 87 H ASN 87 -4.187 15.635 -6.644 654 HA ASN 87 HA ASN 87 -2.009 15.803 -4.999 655 HB2 ASN 87 1HB ASN 87 -4.746 16.943 -4.390 656 HB3 ASN 87 2HB ASN 87 -3.211 17.521 -3.748 657 HD21 ASN 87 1HD2 ASN 87 -2.343 19.180 -4.749 658 HD22 ASN 87 2HD2 ASN 87 -2.656 19.667 -6.377 659 H SER 88 H SER 88 -5.053 14.182 -4.374 660 HA SER 88 HA SER 88 -4.068 13.383 -1.719 661 HB2 SER 88 1HB SER 88 -6.296 14.545 -1.850 662 HB3 SER 88 2HB SER 88 -6.898 13.164 -2.767 663 HG SER 88 HG SER 88 -6.579 13.433 -0.103 664 H VAL 89 H VAL 89 -3.652 11.298 -1.276 665 HA VAL 89 HA VAL 89 -4.524 9.244 -3.186 666 HB VAL 89 HB VAL 89 -1.729 9.329 -2.053 667 HG11 VAL 89 1HG1 VAL 89 -2.852 7.689 -4.317 668 HG12 VAL 89 2HG1 VAL 89 -1.262 7.539 -3.567 669 HG13 VAL 89 3HG1 VAL 89 -2.712 7.112 -2.656 670 HG21 VAL 89 3HG2 VAL 89 -2.521 11.135 -3.826 671 HG22 VAL 89 1HG2 VAL 89 -0.931 10.378 -3.914 672 HG23 VAL 89 2HG2 VAL 89 -2.242 9.798 -4.941 673 H THR 90 H THR 90 -4.835 7.190 -2.325 674 HA THR 90 HA THR 90 -4.779 7.056 0.620 675 HB THR 90 HB THR 90 -6.669 5.568 -1.211 676 HG1 THR 90 1HG THR 90 -6.796 8.090 -0.027 677 HG21 THR 90 3HG2 THR 90 -5.978 5.257 1.538 678 HG22 THR 90 1HG2 THR 90 -7.178 4.372 0.598 679 HG23 THR 90 2HG2 THR 90 -7.634 5.853 1.440 680 H LEU 91 H LEU 91 -3.801 5.358 1.581 681 HA LEU 91 HA LEU 91 -3.003 3.066 -0.061 682 HB2 LEU 91 1HB LEU 91 -1.130 4.552 1.774 683 HB3 LEU 91 2HB LEU 91 -0.749 3.109 0.838 684 HG LEU 91 HG LEU 91 -1.560 5.676 -0.492 685 HD11 LEU 91 1HD1 LEU 91 1.001 5.876 -0.830 686 HD12 LEU 91 2HD1 LEU 91 1.097 4.895 0.632 687 HD13 LEU 91 3HD1 LEU 91 0.278 6.456 0.671 688 HD21 LEU 91 3HD2 LEU 91 -0.817 4.711 -2.429 689 HD22 LEU 91 1HD2 LEU 91 -1.394 3.281 -1.573 690 HD23 LEU 91 2HD2 LEU 91 0.329 3.658 -1.598 691 H LEU 92 H LEU 92 -3.320 1.174 0.930 692 HA LEU 92 HA LEU 92 -4.043 1.220 3.772 693 HB2 LEU 92 1HB LEU 92 -4.639 -0.689 1.533 694 HB3 LEU 92 2HB LEU 92 -4.904 -1.122 3.220 695 HG LEU 92 HG LEU 92 -6.165 1.352 2.113 696 HD11 LEU 92 1HD1 LEU 92 -7.497 0.264 0.717 697 HD12 LEU 92 2HD1 LEU 92 -7.990 -0.836 2.003 698 HD13 LEU 92 3HD1 LEU 92 -6.580 -1.213 1.013 699 HD21 LEU 92 3HD2 LEU 92 -7.683 1.087 3.861 700 HD22 LEU 92 1HD2 LEU 92 -6.140 0.615 4.574 701 HD23 LEU 92 2HD2 LEU 92 -7.293 -0.621 4.070 702 H VAL 93 H VAL 93 -2.357 0.829 5.056 703 HA VAL 93 HA VAL 93 -0.372 -1.175 4.229 704 HB VAL 93 HB VAL 93 1.080 -0.224 5.971 705 HG11 VAL 93 1HG1 VAL 93 -0.012 1.442 3.764 706 HG12 VAL 93 2HG1 VAL 93 1.118 2.188 4.897 707 HG13 VAL 93 3HG1 VAL 93 1.601 0.763 3.977 708 HG21 VAL 93 3HG2 VAL 93 0.460 1.812 7.143 709 HG22 VAL 93 1HG2 VAL 93 -1.118 1.807 6.355 710 HG23 VAL 93 2HG2 VAL 93 -0.698 0.529 7.496 711 H LEU 94 H LEU 94 -0.132 -3.040 5.308 712 HA LEU 94 HA LEU 94 -1.859 -3.485 7.643 713 HB2 LEU 94 1HB LEU 94 -2.153 -4.915 5.615 714 HB3 LEU 94 2HB LEU 94 -0.529 -5.542 5.889 715 HG LEU 94 HG LEU 94 -1.370 -6.324 8.154 716 HD11 LEU 94 1HD1 LEU 94 -3.671 -4.913 7.298 717 HD12 LEU 94 2HD1 LEU 94 -3.422 -5.803 8.800 718 HD13 LEU 94 3HD1 LEU 94 -4.089 -6.624 7.389 719 HD21 LEU 94 3HD2 LEU 94 -1.311 -7.538 5.717 720 HD22 LEU 94 1HD2 LEU 94 -2.987 -7.795 6.203 721 HD23 LEU 94 2HD2 LEU 94 -1.674 -8.350 7.241 722 H ASP 95 H ASP 95 -1.039 -4.822 9.387 723 HA ASP 95 HA ASP 95 1.612 -4.040 10.152 724 HB2 ASP 95 1HB ASP 95 -0.232 -5.976 11.562 725 HB3 ASP 95 2HB ASP 95 1.131 -5.106 12.261 726 H GLY 96 H GLY 96 3.441 -5.265 10.307 727 HA2 GLY 96 1HA GLY 96 3.980 -7.269 8.530 728 HA3 GLY 96 2HA GLY 96 4.860 -7.061 10.037 729 H ASP 97 H ASP 97 3.599 -7.947 12.008 730 HA ASP 97 HA ASP 97 3.545 -10.629 12.038 731 HB2 ASP 97 1HB ASP 97 1.964 -8.615 13.577 732 HB3 ASP 97 2HB ASP 97 1.584 -10.322 13.788 733 H SER 98 H SER 98 0.614 -8.681 11.454 734 HA SER 98 HA SER 98 -1.102 -10.806 10.890 735 HB2 SER 98 1HB SER 98 -1.122 -7.919 10.015 736 HB3 SER 98 2HB SER 98 -2.411 -9.041 9.580 737 HG SER 98 HG SER 98 -1.885 -7.818 11.971 738 H TYR 99 H TYR 99 0.286 -8.589 8.464 739 HA TYR 99 HA TYR 99 -0.359 -9.808 6.161 740 HB2 TYR 99 1HB TYR 99 1.084 -7.762 6.422 741 HB3 TYR 99 2HB TYR 99 2.452 -8.835 6.696 742 HD1 TYR 99 2HD TYR 99 2.709 -10.718 4.807 743 HD2 TYR 99 1HD TYR 99 0.776 -6.964 4.283 744 HE1 TYR 99 2HE TYR 99 3.078 -10.874 2.380 745 HE2 TYR 99 1HE TYR 99 1.139 -7.110 1.854 746 HH TYR 99 HH TYR 99 2.855 -8.333 0.319 747 H GLU 100 H GLU 100 2.423 -10.740 8.173 748 HA GLU 100 HA GLU 100 3.366 -12.823 6.577 749 HB2 GLU 100 1HB GLU 100 3.460 -12.559 9.587 750 HB3 GLU 100 2HB GLU 100 4.428 -13.681 8.641 751 HG2 GLU 100 1HG GLU 100 5.435 -11.739 7.471 752 HG3 GLU 100 2HG GLU 100 4.551 -10.676 8.565 753 H LYS 101 H LYS 101 0.960 -12.850 9.176 754 HA LYS 101 HA LYS 101 0.520 -15.630 9.211 755 HB2 LYS 101 1HB LYS 101 -0.218 -13.886 10.927 756 HB3 LYS 101 2HB LYS 101 -1.569 -13.553 9.850 757 HG2 LYS 101 1HG LYS 101 -2.376 -15.804 10.079 758 HG3 LYS 101 2HG LYS 101 -0.954 -16.258 11.021 759 HD2 LYS 101 1HD LYS 101 -2.647 -13.994 11.968 760 HD3 LYS 101 2HD LYS 101 -3.225 -15.645 12.201 761 HE2 LYS 101 1HE LYS 101 -1.273 -16.218 13.461 762 HE3 LYS 101 2HE LYS 101 -0.504 -14.681 13.068 763 HZ1 LYS 101 3HZ LYS 101 -3.041 -14.854 14.588 764 HZ2 LYS 101 1HZ LYS 101 -2.016 -13.518 14.423 765 HZ3 LYS 101 2HZ LYS 101 -1.526 -14.852 15.340 766 H ALA 102 H ALA 102 -0.965 -13.023 7.349 767 HA ALA 102 HA ALA 102 -2.956 -14.662 6.135 768 HB1 ALA 102 3HB ALA 102 -3.699 -12.575 5.840 769 HB2 ALA 102 1HB ALA 102 -2.081 -11.884 5.968 770 HB3 ALA 102 2HB ALA 102 -2.640 -12.541 4.430 771 H VAL 103 H VAL 103 -0.263 -12.972 4.522 772 HA VAL 103 HA VAL 103 -0.179 -14.149 2.130 773 HB VAL 103 HB VAL 103 1.506 -12.529 2.837 774 HG11 VAL 103 1HG1 VAL 103 3.135 -14.660 4.131 775 HG12 VAL 103 2HG1 VAL 103 3.158 -12.914 4.381 776 HG13 VAL 103 3HG1 VAL 103 1.852 -13.887 5.060 777 HG21 VAL 103 3HG2 VAL 103 3.514 -14.292 2.030 778 HG22 VAL 103 1HG2 VAL 103 2.031 -14.910 1.301 779 HG23 VAL 103 2HG2 VAL 103 2.536 -13.247 1.000 780 H LYS 104 H LYS 104 1.012 -15.655 5.103 781 HA LYS 104 HA LYS 104 2.043 -17.993 3.912 782 HB2 LYS 104 1HB LYS 104 1.105 -17.338 6.695 783 HB3 LYS 104 2HB LYS 104 1.668 -18.950 6.274 784 HG2 LYS 104 1HG LYS 104 3.331 -16.501 5.783 785 HG3 LYS 104 2HG LYS 104 3.352 -17.368 7.321 786 HD2 LYS 104 1HD LYS 104 3.904 -19.448 6.017 787 HD3 LYS 104 2HD LYS 104 4.118 -18.416 4.601 788 HE2 LYS 104 1HE LYS 104 5.581 -17.893 7.169 789 HE3 LYS 104 2HE LYS 104 6.197 -19.030 5.972 790 HZ1 LYS 104 3HZ LYS 104 6.203 -16.161 5.937 791 HZ2 LYS 104 1HZ LYS 104 5.607 -16.830 4.502 792 HZ3 LYS 104 2HZ LYS 104 7.148 -17.253 5.057 793 H ASN 105 H ASN 105 -1.116 -17.284 5.369 794 HA ASN 105 HA ASN 105 -2.137 -19.901 4.686 795 HB2 ASN 105 1HB ASN 105 -3.664 -17.507 5.727 796 HB3 ASN 105 2HB ASN 105 -4.184 -19.189 5.752 797 HD21 ASN 105 1HD2 ASN 105 -3.603 -17.072 7.848 798 HD22 ASN 105 2HD2 ASN 105 -2.592 -17.886 8.988 799 H GLN 106 H GLN 106 -1.286 -17.744 2.664 800 HA GLN 106 HA GLN 106 -2.041 -16.803 0.711 801 HB2 GLN 106 1HB GLN 106 -3.055 -19.618 0.763 802 HB3 GLN 106 2HB GLN 106 -3.481 -18.575 -0.587 803 HG2 GLN 106 1HG GLN 106 -0.669 -19.169 0.306 804 HG3 GLN 106 2HG GLN 106 -1.504 -19.978 -1.019 805 HE21 GLN 106 1HE2 GLN 106 -0.158 -16.951 0.095 806 HE22 GLN 106 2HE2 GLN 106 -0.015 -16.218 -1.462 807 H VAL 107 H VAL 107 -3.538 -15.814 2.786 808 HA VAL 107 HA VAL 107 -6.350 -16.040 2.075 809 HB VAL 107 HB VAL 107 -4.996 -14.388 4.212 810 HG11 VAL 107 1HG1 VAL 107 -7.131 -13.825 5.041 811 HG12 VAL 107 2HG1 VAL 107 -7.202 -13.521 3.304 812 HG13 VAL 107 3HG1 VAL 107 -7.935 -14.978 3.976 813 HG21 VAL 107 3HG2 VAL 107 -5.293 -16.094 5.667 814 HG22 VAL 107 1HG2 VAL 107 -6.786 -16.631 4.898 815 HG23 VAL 107 2HG2 VAL 107 -5.227 -17.067 4.198 816 H ASP 108 H ASP 108 -7.413 -14.661 0.810 817 HA ASP 108 HA ASP 108 -6.245 -12.811 -0.836 818 HB2 ASP 108 1HB ASP 108 -9.070 -12.630 0.232 819 HB3 ASP 108 2HB ASP 108 -8.470 -11.934 -1.270 820 H LEU 109 H LEU 109 -5.079 -11.085 -0.326 821 HA LEU 109 HA LEU 109 -5.600 -9.619 2.127 822 HB2 LEU 109 1HB LEU 109 -3.428 -9.544 0.060 823 HB3 LEU 109 2HB LEU 109 -3.575 -8.281 1.280 824 HG LEU 109 HG LEU 109 -3.233 -11.205 1.929 825 HD11 LEU 109 1HD1 LEU 109 -0.889 -10.241 2.612 826 HD12 LEU 109 2HD1 LEU 109 -1.247 -9.064 1.349 827 HD13 LEU 109 3HD1 LEU 109 -1.201 -10.784 0.963 828 HD21 LEU 109 3HD2 LEU 109 -2.826 -8.753 3.634 829 HD22 LEU 109 1HD2 LEU 109 -2.743 -10.439 4.146 830 HD23 LEU 109 2HD2 LEU 109 -4.286 -9.743 3.647 831 H LYS 110 H LYS 110 -5.677 -9.093 -1.364 832 HA LYS 110 HA LYS 110 -6.059 -6.417 -1.598 833 HB2 LYS 110 1HB LYS 110 -7.464 -6.875 -3.563 834 HB3 LYS 110 2HB LYS 110 -6.050 -7.920 -3.518 835 HG2 LYS 110 1HG LYS 110 -7.702 -9.570 -2.320 836 HG3 LYS 110 2HG LYS 110 -8.922 -8.594 -3.142 837 HD2 LYS 110 1HD LYS 110 -6.563 -9.779 -4.584 838 HD3 LYS 110 2HD LYS 110 -8.080 -10.657 -4.372 839 HE2 LYS 110 1HE LYS 110 -7.957 -7.907 -5.584 840 HE3 LYS 110 2HE LYS 110 -7.785 -9.373 -6.548 841 HZ1 LYS 110 3HZ LYS 110 -10.038 -9.645 -4.903 842 HZ2 LYS 110 1HZ LYS 110 -9.974 -9.565 -6.592 843 HZ3 LYS 110 2HZ LYS 110 -10.140 -8.148 -5.685 844 H GLU 111 H GLU 111 -8.373 -8.765 -0.388 845 HA GLU 111 HA GLU 111 -10.679 -7.196 -0.397 846 HB2 GLU 111 1HB GLU 111 -9.877 -9.294 1.626 847 HB3 GLU 111 2HB GLU 111 -11.507 -8.692 1.363 848 HG2 GLU 111 1HG GLU 111 -11.122 -9.496 -1.078 849 HG3 GLU 111 2HG GLU 111 -9.851 -10.480 -0.354 850 H LEU 112 H LEU 112 -8.067 -7.416 1.967 851 HA LEU 112 HA LEU 112 -9.046 -6.075 4.116 852 HB2 LEU 112 1HB LEU 112 -6.337 -5.553 2.904 853 HB3 LEU 112 2HB LEU 112 -6.802 -5.319 4.587 854 HG LEU 112 HG LEU 112 -6.838 -8.027 3.280 855 HD11 LEU 112 1HD1 LEU 112 -4.618 -8.118 4.772 856 HD12 LEU 112 2HD1 LEU 112 -4.548 -6.435 4.253 857 HD13 LEU 112 3HD1 LEU 112 -4.610 -7.725 3.052 858 HD21 LEU 112 3HD2 LEU 112 -6.905 -6.998 6.102 859 HD22 LEU 112 1HD2 LEU 112 -6.474 -8.665 5.720 860 HD23 LEU 112 2HD2 LEU 112 -8.065 -8.043 5.281 861 H ASP 113 H ASP 113 -10.455 -4.423 3.878 862 HA ASP 113 HA ASP 113 -9.377 -1.879 2.998 863 HB2 ASP 113 1HB ASP 113 -11.868 -3.039 1.730 864 HB3 ASP 113 2HB ASP 113 -11.266 -1.401 1.490 865 H GLN 114 H GLN 114 -9.727 -0.727 4.784 866 HA GLN 114 HA GLN 114 -11.707 -1.201 6.695 867 HB2 GLN 114 1HB GLN 114 -9.946 1.139 6.065 868 HB3 GLN 114 2HB GLN 114 -11.209 1.304 7.276 869 HG2 GLN 114 1HG GLN 114 -9.344 -1.003 7.464 870 HG3 GLN 114 2HG GLN 114 -8.772 0.598 7.932 871 HE21 GLN 114 1HE2 GLN 114 -9.798 -2.101 9.228 872 HE22 GLN 114 2HE2 GLN 114 -10.689 -1.518 10.588 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -31.132 -18.189 14.774 2 HA2 GLY 1 1HA GLY 1 -30.833 -15.618 15.034 3 HA3 GLY 1 2HA GLY 1 -29.878 -16.108 16.425 4 H SER 2 H SER 2 -27.804 -16.735 16.141 5 HA SER 2 HA SER 2 -26.845 -17.339 13.451 6 HB2 SER 2 1HB SER 2 -25.608 -15.164 15.156 7 HB3 SER 2 2HB SER 2 -25.029 -15.708 13.582 8 HG SER 2 HG SER 2 -27.437 -14.349 14.188 9 H SER 3 H SER 3 -24.803 -18.397 13.406 10 HA SER 3 HA SER 3 -24.404 -20.235 15.490 11 HB2 SER 3 1HB SER 3 -23.703 -20.367 12.992 12 HB3 SER 3 2HB SER 3 -22.239 -19.539 13.522 13 HG SER 3 HG SER 3 -22.367 -21.376 15.225 14 H GLY 4 H GLY 4 -22.391 -17.462 14.494 15 HA2 GLY 4 1HA GLY 4 -21.795 -16.724 17.171 16 HA3 GLY 4 2HA GLY 4 -20.460 -17.634 16.479 17 H SER 5 H SER 5 -20.811 -14.754 17.310 18 HA SER 5 HA SER 5 -20.383 -13.379 14.767 19 HB2 SER 5 1HB SER 5 -20.461 -11.313 16.119 20 HB3 SER 5 2HB SER 5 -21.892 -12.311 16.374 21 HG SER 5 HG SER 5 -19.695 -12.649 18.076 22 H SER 6 H SER 6 -18.385 -15.177 15.344 23 HA SER 6 HA SER 6 -16.098 -13.408 15.510 24 HB2 SER 6 1HB SER 6 -16.366 -13.951 17.856 25 HB3 SER 6 2HB SER 6 -16.492 -15.670 17.483 26 HG SER 6 HG SER 6 -14.413 -15.542 17.927 27 H GLY 7 H GLY 7 -14.327 -14.171 14.409 28 HA2 GLY 7 1HA GLY 7 -14.495 -16.912 13.339 29 HA3 GLY 7 2HA GLY 7 -14.234 -15.555 12.254 30 H MET 8 H MET 8 -12.397 -17.431 12.086 31 HA MET 8 HA MET 8 -10.148 -16.552 13.767 32 HB2 MET 8 1HB MET 8 -10.739 -19.134 12.351 33 HB3 MET 8 2HB MET 8 -9.092 -18.717 12.804 34 HG2 MET 8 1HG MET 8 -9.898 -18.445 15.154 35 HG3 MET 8 2HG MET 8 -11.449 -19.096 14.629 36 HE1 MET 8 3HE MET 8 -10.966 -22.238 16.108 37 HE2 MET 8 1HE MET 8 -11.951 -20.869 15.593 38 HE3 MET 8 2HE MET 8 -11.649 -22.204 14.482 39 H ALA 9 H ALA 9 -8.791 -15.182 12.837 40 HA ALA 9 HA ALA 9 -7.862 -13.877 11.176 41 HB1 ALA 9 3HB ALA 9 -6.980 -16.300 9.747 42 HB2 ALA 9 1HB ALA 9 -6.042 -14.951 10.389 43 HB3 ALA 9 2HB ALA 9 -6.596 -16.232 11.467 44 H SER 10 H SER 10 -10.555 -14.188 10.612 45 HA SER 10 HA SER 10 -10.942 -15.100 7.920 46 HB2 SER 10 1HB SER 10 -12.690 -13.545 9.831 47 HB3 SER 10 2HB SER 10 -13.204 -13.982 8.202 48 HG SER 10 HG SER 10 -12.680 -16.206 8.859 49 H THR 11 H THR 11 -11.355 -11.864 9.365 50 HA THR 11 HA THR 11 -10.326 -10.716 6.853 51 HB THR 11 HB THR 11 -11.874 -8.850 7.069 52 HG1 THR 11 1HG THR 11 -13.132 -8.597 8.796 53 HG21 THR 11 3HG2 THR 11 -13.336 -11.484 7.283 54 HG22 THR 11 1HG2 THR 11 -12.599 -10.846 5.814 55 HG23 THR 11 2HG2 THR 11 -13.956 -10.000 6.559 56 H PHE 12 H PHE 12 -8.514 -9.620 7.169 57 HA PHE 12 HA PHE 12 -7.635 -8.886 9.797 58 HB2 PHE 12 1HB PHE 12 -6.477 -8.486 7.041 59 HB3 PHE 12 2HB PHE 12 -5.701 -7.851 8.488 60 HD1 PHE 12 2HD PHE 12 -7.025 -11.028 7.068 61 HD2 PHE 12 1HD PHE 12 -4.179 -9.159 9.623 62 HE1 PHE 12 2HE PHE 12 -5.924 -13.199 7.423 63 HE2 PHE 12 1HE PHE 12 -3.072 -11.328 9.981 64 HZ PHE 12 HZ PHE 12 -3.945 -13.351 8.882 65 H ASN 13 H ASN 13 -6.670 -6.618 10.104 66 HA ASN 13 HA ASN 13 -8.567 -4.609 9.081 67 HB2 ASN 13 1HB ASN 13 -7.321 -4.605 11.836 68 HB3 ASN 13 2HB ASN 13 -8.559 -3.510 11.227 69 HD21 ASN 13 1HD2 ASN 13 -7.923 -6.435 12.794 70 HD22 ASN 13 2HD2 ASN 13 -9.544 -7.026 12.876 71 HA PRO 14 HA PRO 14 -4.372 -3.234 7.834 72 HB2 PRO 14 1HB PRO 14 -5.221 -2.036 5.550 73 HB3 PRO 14 2HB PRO 14 -4.864 -3.764 5.653 74 HG2 PRO 14 1HG PRO 14 -7.509 -2.366 5.772 75 HG3 PRO 14 2HG PRO 14 -7.065 -3.849 4.906 76 HD2 PRO 14 1HD PRO 14 -8.380 -3.882 7.273 77 HD3 PRO 14 2HD PRO 14 -7.237 -5.155 6.798 78 H ARG 15 H ARG 15 -3.530 -1.069 7.498 79 HA ARG 15 HA ARG 15 -5.151 0.936 8.890 80 HB2 ARG 15 1HB ARG 15 -2.838 0.332 9.707 81 HB3 ARG 15 2HB ARG 15 -2.206 1.072 8.242 82 HG2 ARG 15 1HG ARG 15 -2.947 3.215 8.884 83 HG3 ARG 15 2HG ARG 15 -3.959 2.559 10.172 84 HD2 ARG 15 1HD ARG 15 -2.009 1.878 11.417 85 HD3 ARG 15 2HD ARG 15 -0.952 2.370 10.095 86 HE ARG 15 HE ARG 15 -1.082 4.520 10.853 87 HH11 ARG 15 1HH1 ARG 15 -3.715 2.689 12.208 88 HH12 ARG 15 2HH1 ARG 15 -4.242 3.971 13.249 89 HH21 ARG 15 1HH2 ARG 15 -1.766 6.214 12.218 90 HH22 ARG 15 2HH2 ARG 15 -3.134 5.975 13.253 91 H GLU 16 H GLU 16 -5.951 2.663 7.877 92 HA GLU 16 HA GLU 16 -5.403 2.992 5.041 93 HB2 GLU 16 1HB GLU 16 -7.733 3.013 5.893 94 HB3 GLU 16 2HB GLU 16 -7.361 4.466 6.810 95 HG2 GLU 16 1HG GLU 16 -8.323 5.398 4.977 96 HG3 GLU 16 2HG GLU 16 -6.641 5.372 4.450 97 H CYS 17 H CYS 17 -4.693 4.919 4.089 98 HA CYS 17 HA CYS 17 -3.673 7.006 5.865 99 HB2 CYS 17 1HB CYS 17 -1.982 5.623 3.771 100 HB3 CYS 17 2HB CYS 17 -1.491 7.015 4.729 101 HG CYS 17 HG CYS 17 -2.400 4.837 6.905 102 H LYS 18 H LYS 18 -3.909 9.010 5.062 103 HA LYS 18 HA LYS 18 -4.700 9.255 2.233 104 HB2 LYS 18 1HB LYS 18 -5.803 10.495 4.714 105 HB3 LYS 18 2HB LYS 18 -5.839 11.432 3.226 106 HG2 LYS 18 1HG LYS 18 -7.289 9.956 2.179 107 HG3 LYS 18 2HG LYS 18 -6.904 8.638 3.289 108 HD2 LYS 18 1HD LYS 18 -8.164 11.123 4.359 109 HD3 LYS 18 2HD LYS 18 -9.166 9.950 3.501 110 HE2 LYS 18 1HE LYS 18 -9.334 9.280 5.722 111 HE3 LYS 18 2HE LYS 18 -8.093 8.212 5.069 112 HZ1 LYS 18 3HZ LYS 18 -7.251 10.732 6.304 113 HZ2 LYS 18 1HZ LYS 18 -6.454 9.241 6.246 114 HZ3 LYS 18 2HZ LYS 18 -7.742 9.470 7.319 115 H LEU 19 H LEU 19 -3.032 10.087 1.151 116 HA LEU 19 HA LEU 19 -1.298 12.054 2.438 117 HB2 LEU 19 1HB LEU 19 -1.076 10.244 0.097 118 HB3 LEU 19 2HB LEU 19 -0.160 11.749 0.054 119 HG LEU 19 HG LEU 19 0.883 11.065 2.233 120 HD11 LEU 19 1HD1 LEU 19 -1.112 9.186 2.293 121 HD12 LEU 19 2HD1 LEU 19 0.337 9.182 3.297 122 HD13 LEU 19 3HD1 LEU 19 0.296 8.243 1.805 123 HD21 LEU 19 3HD2 LEU 19 2.514 10.552 0.813 124 HD22 LEU 19 1HD2 LEU 19 1.357 10.059 -0.424 125 HD23 LEU 19 2HD2 LEU 19 1.896 8.899 0.790 126 H SER 20 H SER 20 -1.083 14.142 1.768 127 HA SER 20 HA SER 20 -2.713 15.026 -0.511 128 HB2 SER 20 1HB SER 20 -3.608 16.881 0.717 129 HB3 SER 20 2HB SER 20 -3.891 15.435 1.686 130 HG SER 20 HG SER 20 -2.955 17.409 2.737 131 H LYS 21 H LYS 21 -1.566 16.176 -1.906 132 HA LYS 21 HA LYS 21 0.543 17.952 -0.963 133 HB2 LYS 21 1HB LYS 21 2.269 17.038 -2.279 134 HB3 LYS 21 2HB LYS 21 1.521 15.653 -1.495 135 HG2 LYS 21 1HG LYS 21 0.331 15.091 -3.508 136 HG3 LYS 21 2HG LYS 21 0.914 16.555 -4.303 137 HD2 LYS 21 1HD LYS 21 3.235 15.710 -4.033 138 HD3 LYS 21 2HD LYS 21 2.574 14.210 -3.379 139 HE2 LYS 21 1HE LYS 21 3.041 13.844 -5.687 140 HE3 LYS 21 2HE LYS 21 1.290 13.947 -5.510 141 HZ1 LYS 21 3HZ LYS 21 2.909 15.441 -7.193 142 HZ2 LYS 21 1HZ LYS 21 2.350 16.512 -6.009 143 HZ3 LYS 21 2HZ LYS 21 1.247 15.624 -6.933 144 H GLN 22 H GLN 22 1.449 19.251 -2.848 145 HA GLN 22 HA GLN 22 -0.803 20.186 -4.430 146 HB2 GLN 22 1HB GLN 22 1.937 21.280 -3.845 147 HB3 GLN 22 2HB GLN 22 0.921 21.980 -5.099 148 HG2 GLN 22 1HG GLN 22 -0.063 21.636 -2.290 149 HG3 GLN 22 2HG GLN 22 0.876 23.045 -2.782 150 HE21 GLN 22 1HE2 GLN 22 -2.180 21.597 -2.690 151 HE22 GLN 22 2HE2 GLN 22 -3.038 22.779 -3.614 152 H GLU 23 H GLU 23 -0.391 20.822 -6.731 153 HA GLU 23 HA GLU 23 0.459 18.549 -8.203 154 HB2 GLU 23 1HB GLU 23 -0.604 21.249 -8.862 155 HB3 GLU 23 2HB GLU 23 0.237 20.377 -10.136 156 HG2 GLU 23 1HG GLU 23 -1.994 19.133 -8.567 157 HG3 GLU 23 2HG GLU 23 -2.287 20.117 -9.999 158 H GLY 24 H GLY 24 2.554 18.014 -8.277 159 HA2 GLY 24 1HA GLY 24 4.581 18.494 -9.598 160 HA3 GLY 24 2HA GLY 24 4.472 20.143 -9.002 161 H GLN 25 H GLN 25 3.790 19.369 -6.288 162 HA GLN 25 HA GLN 25 6.435 19.059 -5.277 163 HB2 GLN 25 1HB GLN 25 4.424 20.319 -4.239 164 HB3 GLN 25 2HB GLN 25 3.952 18.745 -3.615 165 HG2 GLN 25 1HG GLN 25 5.199 20.004 -1.960 166 HG3 GLN 25 2HG GLN 25 6.077 18.555 -2.446 167 HE21 GLN 25 1HE2 GLN 25 8.145 18.818 -2.853 168 HE22 GLN 25 2HE2 GLN 25 8.916 20.294 -3.313 169 H ASN 26 H ASN 26 7.034 17.406 -3.651 170 HA ASN 26 HA ASN 26 6.177 14.763 -4.579 171 HB2 ASN 26 1HB ASN 26 8.659 15.831 -3.300 172 HB3 ASN 26 2HB ASN 26 8.260 14.130 -3.077 173 HD21 ASN 26 1HD2 ASN 26 10.547 14.962 -4.384 174 HD22 ASN 26 2HD2 ASN 26 10.432 14.529 -6.053 175 H TYR 27 H TYR 27 6.356 13.029 -2.765 176 HA TYR 27 HA TYR 27 4.649 13.955 -0.570 177 HB2 TYR 27 1HB TYR 27 5.062 11.310 -1.915 178 HB3 TYR 27 2HB TYR 27 4.423 11.359 -0.276 179 HD1 TYR 27 2HD TYR 27 2.568 13.482 -0.165 180 HD2 TYR 27 1HD TYR 27 3.399 10.914 -3.455 181 HE1 TYR 27 2HE TYR 27 0.313 13.900 -1.054 182 HE2 TYR 27 1HE TYR 27 1.147 11.326 -4.353 183 HH TYR 27 HH TYR 27 -1.086 13.572 -2.753 184 H GLY 28 H GLY 28 7.689 12.332 -1.243 185 HA2 GLY 28 1HA GLY 28 9.519 12.698 0.319 186 HA3 GLY 28 2HA GLY 28 8.350 12.572 1.624 187 H PHE 29 H PHE 29 7.135 10.262 -0.025 188 HA PHE 29 HA PHE 29 9.002 8.225 0.989 189 HB2 PHE 29 1HB PHE 29 7.213 6.886 1.569 190 HB3 PHE 29 2HB PHE 29 6.517 8.483 1.823 191 HD1 PHE 29 1HD PHE 29 5.114 9.482 -0.043 192 HD2 PHE 29 2HD PHE 29 6.227 5.376 0.096 193 HE1 PHE 29 1HE PHE 29 3.290 8.938 -1.603 194 HE2 PHE 29 2HE PHE 29 4.406 4.826 -1.464 195 HZ PHE 29 HZ PHE 29 2.935 6.608 -2.316 196 H PHE 30 H PHE 30 9.450 6.386 -0.256 197 HA PHE 30 HA PHE 30 8.788 6.648 -3.116 198 HB2 PHE 30 1HB PHE 30 11.361 5.940 -1.750 199 HB3 PHE 30 2HB PHE 30 11.028 5.316 -3.362 200 HD1 PHE 30 1HD PHE 30 10.325 7.080 -5.138 201 HD2 PHE 30 2HD PHE 30 12.356 8.004 -1.513 202 HE1 PHE 30 1HE PHE 30 11.108 9.196 -6.120 203 HE2 PHE 30 2HE PHE 30 13.141 10.122 -2.489 204 HZ PHE 30 HZ PHE 30 12.517 10.720 -4.795 205 H LEU 31 H LEU 31 8.702 4.641 -4.329 206 HA LEU 31 HA LEU 31 7.795 2.399 -2.651 207 HB2 LEU 31 1HB LEU 31 6.917 3.451 -5.299 208 HB3 LEU 31 2HB LEU 31 6.712 1.736 -4.947 209 HG LEU 31 HG LEU 31 5.623 3.845 -3.110 210 HD11 LEU 31 1HD1 LEU 31 4.487 4.513 -4.983 211 HD12 LEU 31 2HD1 LEU 31 3.430 3.224 -4.408 212 HD13 LEU 31 3HD1 LEU 31 4.555 2.916 -5.730 213 HD21 LEU 31 3HD2 LEU 31 4.992 2.062 -1.953 214 HD22 LEU 31 1HD2 LEU 31 5.678 0.992 -3.175 215 HD23 LEU 31 2HD2 LEU 31 4.008 1.541 -3.321 216 H ARG 32 H ARG 32 9.241 0.823 -2.511 217 HA ARG 32 HA ARG 32 10.977 0.286 -4.826 218 HB2 ARG 32 1HB ARG 32 11.393 -0.465 -1.927 219 HB3 ARG 32 2HB ARG 32 12.518 -0.771 -3.243 220 HG2 ARG 32 1HG ARG 32 11.667 1.938 -2.240 221 HG3 ARG 32 2HG ARG 32 13.210 1.144 -1.918 222 HD2 ARG 32 1HD ARG 32 13.490 1.059 -4.457 223 HD3 ARG 32 2HD ARG 32 12.157 2.211 -4.520 224 HE ARG 32 HE ARG 32 13.858 3.377 -2.790 225 HH11 ARG 32 1HH1 ARG 32 14.286 2.020 -5.967 226 HH12 ARG 32 2HH1 ARG 32 15.578 3.092 -6.394 227 HH21 ARG 32 1HH2 ARG 32 15.559 4.794 -3.339 228 HH22 ARG 32 2HH2 ARG 32 16.302 4.669 -4.898 229 H ILE 33 H ILE 33 11.634 -2.042 -5.058 230 HA ILE 33 HA ILE 33 9.455 -3.872 -4.314 231 HB ILE 33 HB ILE 33 9.624 -4.943 -6.536 232 HG12 ILE 33 1HG1 ILE 33 10.656 -3.204 -8.284 233 HG13 ILE 33 2HG1 ILE 33 11.664 -2.805 -6.897 234 HG21 ILE 33 1HG2 ILE 33 8.995 -2.086 -7.087 235 HG22 ILE 33 2HG2 ILE 33 8.097 -3.542 -7.513 236 HG23 ILE 33 3HG2 ILE 33 8.066 -2.940 -5.856 237 HD11 ILE 33 3HD1 ILE 33 12.640 -4.488 -8.439 238 HD12 ILE 33 1HD1 ILE 33 12.487 -5.037 -6.770 239 HD13 ILE 33 2HD1 ILE 33 11.335 -5.586 -7.988 240 H GLU 34 H GLU 34 10.032 -6.081 -4.151 241 HA GLU 34 HA GLU 34 12.933 -6.583 -4.038 242 HB2 GLU 34 1HB GLU 34 10.802 -7.517 -2.110 243 HB3 GLU 34 2HB GLU 34 12.456 -8.114 -2.116 244 HG2 GLU 34 1HG GLU 34 11.880 -5.190 -1.861 245 HG3 GLU 34 2HG GLU 34 11.808 -6.259 -0.461 246 H LYS 35 H LYS 35 13.585 -8.791 -4.371 247 HA LYS 35 HA LYS 35 12.056 -10.067 -6.440 248 HB2 LYS 35 1HB LYS 35 14.555 -9.944 -6.419 249 HB3 LYS 35 2HB LYS 35 14.555 -11.062 -5.062 250 HG2 LYS 35 1HG LYS 35 14.876 -12.539 -6.752 251 HG3 LYS 35 2HG LYS 35 13.111 -12.519 -6.733 252 HD2 LYS 35 1HD LYS 35 12.989 -11.156 -8.626 253 HD3 LYS 35 2HD LYS 35 14.664 -10.624 -8.464 254 HE2 LYS 35 1HE LYS 35 15.509 -12.585 -9.345 255 HE3 LYS 35 2HE LYS 35 14.068 -13.513 -8.931 256 HZ1 LYS 35 3HZ LYS 35 14.679 -12.402 -11.376 257 HZ2 LYS 35 1HZ LYS 35 13.437 -11.435 -10.755 258 HZ3 LYS 35 2HZ LYS 35 13.210 -13.103 -10.917 259 H ASP 36 H ASP 36 10.884 -11.919 -6.351 260 HA ASP 36 HA ASP 36 9.550 -13.523 -5.436 261 HB2 ASP 36 1HB ASP 36 11.801 -14.008 -3.487 262 HB3 ASP 36 2HB ASP 36 10.634 -15.172 -4.109 263 H THR 37 H THR 37 9.117 -10.928 -4.448 264 HA THR 37 HA THR 37 8.225 -11.534 -1.706 265 HB THR 37 HB THR 37 8.960 -8.752 -2.598 266 HG1 THR 37 1HG THR 37 10.911 -9.323 -1.206 267 HG21 THR 37 3HG2 THR 37 9.096 -8.326 -0.206 268 HG22 THR 37 1HG2 THR 37 8.744 -10.019 0.136 269 HG23 THR 37 2HG2 THR 37 7.518 -8.997 -0.614 270 H ASP 38 H ASP 38 6.206 -10.765 -1.099 271 HA ASP 38 HA ASP 38 4.471 -10.013 -3.338 272 HB2 ASP 38 1HB ASP 38 3.955 -11.259 -0.648 273 HB3 ASP 38 2HB ASP 38 2.645 -10.550 -1.589 274 H GLY 39 H GLY 39 3.471 -8.087 -3.460 275 HA2 GLY 39 1HA GLY 39 2.518 -6.095 -2.662 276 HA3 GLY 39 2HA GLY 39 3.248 -6.401 -1.093 277 H HIS 40 H HIS 40 3.509 -3.930 -1.697 278 HA HIS 40 HA HIS 40 6.195 -3.633 -2.873 279 HB2 HIS 40 1HB HIS 40 3.757 -1.898 -3.098 280 HB3 HIS 40 2HB HIS 40 5.362 -1.190 -3.258 281 HD1 HIS 40 1HD HIS 40 6.652 -1.660 -5.409 282 HD2 HIS 40 2HD HIS 40 3.012 -3.651 -5.193 283 HE1 HIS 40 1HE HIS 40 6.250 -2.579 -7.715 284 HE2 HIS 40 2HE HIS 40 4.002 -3.706 -7.582 285 H LEU 41 H LEU 41 7.686 -3.088 -1.437 286 HA LEU 41 HA LEU 41 6.920 -2.091 1.170 287 HB2 LEU 41 1HB LEU 41 9.479 -3.022 -0.072 288 HB3 LEU 41 2HB LEU 41 9.496 -2.145 1.457 289 HG LEU 41 HG LEU 41 7.823 -3.974 2.233 290 HD11 LEU 41 1HD1 LEU 41 9.029 -6.036 0.736 291 HD12 LEU 41 2HD1 LEU 41 8.412 -4.853 -0.416 292 HD13 LEU 41 3HD1 LEU 41 7.329 -5.569 0.777 293 HD21 LEU 41 3HD2 LEU 41 9.922 -5.537 2.538 294 HD22 LEU 41 1HD2 LEU 41 9.800 -3.992 3.381 295 HD23 LEU 41 2HD2 LEU 41 10.778 -4.124 1.919 296 H ILE 42 H ILE 42 7.744 -0.171 2.119 297 HA ILE 42 HA ILE 42 8.460 1.899 0.146 298 HB ILE 42 HB ILE 42 6.891 2.171 2.709 299 HG12 ILE 42 1HG1 ILE 42 5.960 3.049 0.004 300 HG13 ILE 42 2HG1 ILE 42 5.885 1.341 0.419 301 HG21 ILE 42 1HG2 ILE 42 8.420 4.060 2.422 302 HG22 ILE 42 2HG2 ILE 42 7.782 4.329 0.801 303 HG23 ILE 42 3HG2 ILE 42 6.740 4.550 2.207 304 HD11 ILE 42 3HD1 ILE 42 4.668 2.201 2.551 305 HD12 ILE 42 1HD1 ILE 42 4.383 3.639 1.570 306 HD13 ILE 42 2HD1 ILE 42 3.798 2.067 1.023 307 H ARG 43 H ARG 43 10.085 3.350 0.629 308 HA ARG 43 HA ARG 43 11.429 3.216 3.197 309 HB2 ARG 43 1HB ARG 43 13.590 2.626 2.319 310 HB3 ARG 43 2HB ARG 43 12.439 1.386 1.838 311 HG2 ARG 43 1HG ARG 43 12.393 2.146 -0.389 312 HG3 ARG 43 2HG ARG 43 13.198 3.659 0.031 313 HD2 ARG 43 1HD ARG 43 14.367 0.889 -0.045 314 HD3 ARG 43 2HD ARG 43 14.826 2.289 -1.013 315 HE ARG 43 HE ARG 43 15.350 3.154 1.458 316 HH11 ARG 43 1HH1 ARG 43 16.129 0.163 -0.143 317 HH12 ARG 43 2HH1 ARG 43 17.593 -0.086 0.750 318 HH21 ARG 43 1HH2 ARG 43 17.275 2.838 2.642 319 HH22 ARG 43 2HH2 ARG 43 18.243 1.436 2.335 320 H VAL 44 H VAL 44 13.517 4.693 3.003 321 HA VAL 44 HA VAL 44 14.294 6.824 2.803 322 HB VAL 44 HB VAL 44 12.888 6.980 0.146 323 HG11 VAL 44 1HG1 VAL 44 15.248 8.301 1.418 324 HG12 VAL 44 2HG1 VAL 44 15.146 8.172 -0.339 325 HG13 VAL 44 3HG1 VAL 44 13.888 9.023 0.560 326 HG21 VAL 44 3HG2 VAL 44 14.543 4.892 0.865 327 HG22 VAL 44 1HG2 VAL 44 14.189 5.420 -0.780 328 HG23 VAL 44 2HG2 VAL 44 15.629 6.015 0.046 329 H ILE 45 H ILE 45 11.759 6.432 4.093 330 HA ILE 45 HA ILE 45 9.952 8.496 3.272 331 HB ILE 45 HB ILE 45 10.093 6.992 5.888 332 HG12 ILE 45 1HG1 ILE 45 8.244 6.534 3.544 333 HG13 ILE 45 2HG1 ILE 45 9.733 5.628 3.791 334 HG21 ILE 45 1HG2 ILE 45 8.337 8.155 6.619 335 HG22 ILE 45 2HG2 ILE 45 8.693 9.301 5.328 336 HG23 ILE 45 3HG2 ILE 45 7.505 8.024 5.070 337 HD11 ILE 45 3HD1 ILE 45 7.214 5.588 5.395 338 HD12 ILE 45 1HD1 ILE 45 8.103 4.247 4.674 339 HD13 ILE 45 2HD1 ILE 45 8.744 5.067 6.099 340 H GLU 46 H GLU 46 11.106 10.424 3.222 341 HA GLU 46 HA GLU 46 12.813 11.423 5.163 342 HB2 GLU 46 1HB GLU 46 12.209 12.353 2.822 343 HB3 GLU 46 2HB GLU 46 10.924 13.212 3.660 344 HG2 GLU 46 1HG GLU 46 12.850 14.008 5.219 345 HG3 GLU 46 2HG GLU 46 13.876 13.563 3.856 346 H GLU 47 H GLU 47 12.557 12.776 6.942 347 HA GLU 47 HA GLU 47 10.213 12.320 8.496 348 HB2 GLU 47 1HB GLU 47 12.794 13.741 8.870 349 HB3 GLU 47 2HB GLU 47 11.458 14.237 9.899 350 HG2 GLU 47 1HG GLU 47 12.021 11.335 9.656 351 HG3 GLU 47 2HG GLU 47 13.134 12.324 10.600 352 H GLY 48 H GLY 48 9.181 14.273 9.672 353 HA2 GLY 48 1HA GLY 48 7.618 15.948 9.406 354 HA3 GLY 48 2HA GLY 48 8.977 16.816 8.708 355 H SER 49 H SER 49 7.952 13.952 7.104 356 HA SER 49 HA SER 49 7.033 15.565 4.854 357 HB2 SER 49 1HB SER 49 7.573 13.787 3.487 358 HB3 SER 49 2HB SER 49 8.693 13.498 4.818 359 HG SER 49 HG SER 49 7.351 11.924 5.601 360 HA PRO 50 HA PRO 50 2.751 14.748 5.365 361 HB2 PRO 50 1HB PRO 50 1.929 14.570 2.784 362 HB3 PRO 50 2HB PRO 50 2.396 16.098 3.540 363 HG2 PRO 50 1HG PRO 50 3.988 14.309 1.744 364 HG3 PRO 50 2HG PRO 50 3.857 16.078 1.731 365 HD2 PRO 50 1HD PRO 50 5.968 14.781 2.825 366 HD3 PRO 50 2HD PRO 50 5.365 16.328 3.456 367 H ALA 51 H ALA 51 4.689 12.533 3.495 368 HA ALA 51 HA ALA 51 2.688 10.514 3.206 369 HB1 ALA 51 3HB ALA 51 4.839 9.084 2.790 370 HB2 ALA 51 1HB ALA 51 4.330 10.296 1.614 371 HB3 ALA 51 2HB ALA 51 5.631 10.659 2.748 372 H GLU 52 H GLU 52 5.166 11.243 5.583 373 HA GLU 52 HA GLU 52 4.853 8.757 6.994 374 HB2 GLU 52 1HB GLU 52 6.956 10.193 6.932 375 HB3 GLU 52 2HB GLU 52 6.134 11.274 8.050 376 HG2 GLU 52 1HG GLU 52 5.864 9.337 9.600 377 HG3 GLU 52 2HG GLU 52 6.887 8.401 8.512 378 H LYS 53 H LYS 53 3.639 12.041 7.294 379 HA LYS 53 HA LYS 53 2.595 12.096 9.815 380 HB2 LYS 53 1HB LYS 53 1.716 13.255 7.215 381 HB3 LYS 53 2HB LYS 53 0.601 13.348 8.572 382 HG2 LYS 53 1HG LYS 53 3.410 14.210 9.005 383 HG3 LYS 53 2HG LYS 53 2.341 15.260 8.072 384 HD2 LYS 53 1HD LYS 53 1.413 14.153 10.688 385 HD3 LYS 53 2HD LYS 53 2.516 15.531 10.665 386 HE2 LYS 53 1HE LYS 53 0.813 16.508 8.952 387 HE3 LYS 53 2HE LYS 53 -0.290 15.326 9.653 388 HZ1 LYS 53 3HZ LYS 53 0.235 17.819 10.631 389 HZ2 LYS 53 1HZ LYS 53 1.121 16.801 11.651 390 HZ3 LYS 53 2HZ LYS 53 -0.543 16.568 11.461 391 H ALA 54 H ALA 54 1.594 10.106 7.178 392 HA ALA 54 HA ALA 54 -0.925 9.388 8.451 393 HB1 ALA 54 3HB ALA 54 -1.595 8.858 6.401 394 HB2 ALA 54 1HB ALA 54 -0.052 9.471 5.805 395 HB3 ALA 54 2HB ALA 54 -0.236 7.757 6.178 396 H GLY 55 H GLY 55 1.621 8.766 9.766 397 HA2 GLY 55 1HA GLY 55 2.533 7.038 10.970 398 HA3 GLY 55 2HA GLY 55 1.042 6.163 10.652 399 H LEU 56 H LEU 56 2.978 7.285 8.002 400 HA LEU 56 HA LEU 56 3.344 4.584 7.078 401 HB2 LEU 56 1HB LEU 56 2.896 6.755 5.715 402 HB3 LEU 56 2HB LEU 56 4.642 6.970 5.827 403 HG LEU 56 HG LEU 56 4.722 4.555 4.842 404 HD11 LEU 56 1HD1 LEU 56 2.101 4.555 5.076 405 HD12 LEU 56 2HD1 LEU 56 2.898 3.758 3.720 406 HD13 LEU 56 3HD1 LEU 56 2.188 5.357 3.508 407 HD21 LEU 56 3HD2 LEU 56 5.423 6.757 3.796 408 HD22 LEU 56 1HD2 LEU 56 3.843 6.772 3.012 409 HD23 LEU 56 2HD2 LEU 56 4.978 5.462 2.683 410 H LEU 57 H LEU 57 4.976 3.321 7.643 411 HA LEU 57 HA LEU 57 7.560 4.569 8.309 412 HB2 LEU 57 1HB LEU 57 5.998 2.456 9.698 413 HB3 LEU 57 2HB LEU 57 7.755 2.320 9.698 414 HG LEU 57 HG LEU 57 7.630 4.794 10.574 415 HD11 LEU 57 1HD1 LEU 57 5.055 3.745 11.698 416 HD12 LEU 57 2HD1 LEU 57 5.096 4.750 10.249 417 HD13 LEU 57 3HD1 LEU 57 5.714 5.379 11.776 418 HD21 LEU 57 3HD2 LEU 57 8.551 2.816 11.752 419 HD22 LEU 57 1HD2 LEU 57 6.933 2.469 12.362 420 HD23 LEU 57 2HD2 LEU 57 7.749 3.962 12.828 421 H ASP 58 H ASP 58 9.449 3.277 7.872 422 HA ASP 58 HA ASP 58 9.399 2.061 5.333 423 HB2 ASP 58 1HB ASP 58 11.389 3.172 6.330 424 HB3 ASP 58 2HB ASP 58 11.545 1.823 7.452 425 H GLY 59 H GLY 59 8.939 0.052 4.715 426 HA2 GLY 59 1HA GLY 59 9.262 -2.337 5.002 427 HA3 GLY 59 2HA GLY 59 9.077 -2.097 6.733 428 H ASP 60 H ASP 60 6.924 -0.292 4.802 429 HA ASP 60 HA ASP 60 4.727 -2.029 5.643 430 HB2 ASP 60 1HB ASP 60 4.798 0.817 4.633 431 HB3 ASP 60 2HB ASP 60 3.302 -0.065 4.929 432 H ARG 61 H ARG 61 3.347 -3.024 4.249 433 HA ARG 61 HA ARG 61 4.077 -2.910 1.401 434 HB2 ARG 61 1HB ARG 61 3.002 -5.103 3.142 435 HB3 ARG 61 2HB ARG 61 2.753 -5.155 1.402 436 HG2 ARG 61 1HG ARG 61 4.677 -6.427 1.784 437 HG3 ARG 61 2HG ARG 61 5.269 -4.875 1.188 438 HD2 ARG 61 1HD ARG 61 6.084 -4.243 3.248 439 HD3 ARG 61 2HD ARG 61 4.973 -5.293 4.126 440 HE ARG 61 HE ARG 61 7.574 -5.974 3.133 441 HH11 ARG 61 1HH1 ARG 61 4.440 -7.224 3.990 442 HH12 ARG 61 2HH1 ARG 61 5.022 -8.824 4.313 443 HH21 ARG 61 1HH2 ARG 61 8.352 -8.077 3.556 444 HH22 ARG 61 2HH2 ARG 61 7.247 -9.307 4.067 445 H VAL 62 H VAL 62 2.713 -1.849 0.138 446 HA VAL 62 HA VAL 62 0.079 -1.128 1.028 447 HB VAL 62 HB VAL 62 1.106 0.543 -0.245 448 HG11 VAL 62 1HG1 VAL 62 1.721 -0.281 -2.757 449 HG12 VAL 62 2HG1 VAL 62 2.878 -0.174 -1.429 450 HG13 VAL 62 3HG1 VAL 62 2.121 -1.719 -1.818 451 HG21 VAL 62 3HG2 VAL 62 -0.579 1.027 -1.657 452 HG22 VAL 62 1HG2 VAL 62 -0.395 -0.480 -2.554 453 HG23 VAL 62 2HG2 VAL 62 -1.289 -0.462 -1.033 454 H LEU 63 H LEU 63 -1.754 -2.197 0.690 455 HA LEU 63 HA LEU 63 -1.726 -4.594 -0.944 456 HB2 LEU 63 1HB LEU 63 -3.927 -3.415 0.746 457 HB3 LEU 63 2HB LEU 63 -3.939 -5.010 -0.003 458 HG LEU 63 HG LEU 63 -1.765 -4.341 1.927 459 HD11 LEU 63 1HD1 LEU 63 -4.647 -4.703 2.578 460 HD12 LEU 63 2HD1 LEU 63 -3.432 -3.685 3.350 461 HD13 LEU 63 3HD1 LEU 63 -3.435 -5.425 3.637 462 HD21 LEU 63 3HD2 LEU 63 -2.826 -6.897 2.321 463 HD22 LEU 63 1HD2 LEU 63 -1.322 -6.475 1.502 464 HD23 LEU 63 2HD2 LEU 63 -2.810 -6.656 0.573 465 H ARG 64 H ARG 64 -3.715 -1.644 -0.719 466 HA ARG 64 HA ARG 64 -4.284 -1.926 -3.593 467 HB2 ARG 64 1HB ARG 64 -6.226 -1.127 -1.418 468 HB3 ARG 64 2HB ARG 64 -6.553 -0.992 -3.141 469 HG2 ARG 64 1HG ARG 64 -6.374 -3.394 -3.395 470 HG3 ARG 64 2HG ARG 64 -5.951 -3.561 -1.690 471 HD2 ARG 64 1HD ARG 64 -8.095 -2.977 -0.978 472 HD3 ARG 64 2HD ARG 64 -8.506 -2.237 -2.525 473 HE ARG 64 HE ARG 64 -8.841 -4.966 -1.800 474 HH11 ARG 64 1HH1 ARG 64 -8.093 -2.873 -4.479 475 HH12 ARG 64 2HH1 ARG 64 -8.686 -3.976 -5.676 476 HH21 ARG 64 1HH2 ARG 64 -9.625 -6.428 -3.366 477 HH22 ARG 64 2HH2 ARG 64 -9.559 -5.998 -5.041 478 H ILE 65 H ILE 65 -4.065 -0.116 -4.790 479 HA ILE 65 HA ILE 65 -3.310 2.341 -3.358 480 HB ILE 65 HB ILE 65 -1.692 1.183 -5.008 481 HG12 ILE 65 1HG1 ILE 65 -1.170 3.342 -4.129 482 HG13 ILE 65 2HG1 ILE 65 -0.938 3.437 -5.871 483 HG21 ILE 65 1HG2 ILE 65 -3.580 1.013 -6.737 484 HG22 ILE 65 2HG2 ILE 65 -3.245 2.712 -7.066 485 HG23 ILE 65 3HG2 ILE 65 -1.983 1.503 -7.301 486 HD11 ILE 65 3HD1 ILE 65 -2.043 5.399 -5.397 487 HD12 ILE 65 1HD1 ILE 65 -3.361 4.338 -5.893 488 HD13 ILE 65 2HD1 ILE 65 -3.075 4.647 -4.180 489 H ASN 66 H ASN 66 -4.692 3.977 -3.396 490 HA ASN 66 HA ASN 66 -6.537 5.227 -3.891 491 HB2 ASN 66 1HB ASN 66 -4.809 5.719 -5.762 492 HB3 ASN 66 2HB ASN 66 -5.885 4.779 -6.791 493 HD21 ASN 66 1HD2 ASN 66 -5.769 7.554 -4.622 494 HD22 ASN 66 2HD2 ASN 66 -7.026 8.445 -5.404 495 H GLY 67 H GLY 67 -6.852 2.257 -3.812 496 HA2 GLY 67 1HA GLY 67 -8.860 1.040 -3.835 497 HA3 GLY 67 2HA GLY 67 -9.529 2.209 -4.964 498 H VAL 68 H VAL 68 -6.469 0.473 -5.275 499 HA VAL 68 HA VAL 68 -7.605 -1.240 -7.349 500 HB VAL 68 HB VAL 68 -5.224 0.546 -7.870 501 HG11 VAL 68 1HG1 VAL 68 -6.467 -0.879 -10.103 502 HG12 VAL 68 2HG1 VAL 68 -4.763 -0.662 -9.701 503 HG13 VAL 68 3HG1 VAL 68 -5.700 -1.931 -8.914 504 HG21 VAL 68 3HG2 VAL 68 -7.145 1.911 -8.018 505 HG22 VAL 68 1HG2 VAL 68 -6.756 1.456 -9.677 506 HG23 VAL 68 2HG2 VAL 68 -8.074 0.650 -8.827 507 H PHE 69 H PHE 69 -6.896 -3.240 -7.061 508 HA PHE 69 HA PHE 69 -4.967 -3.940 -5.145 509 HB2 PHE 69 1HB PHE 69 -6.879 -5.355 -6.187 510 HB3 PHE 69 2HB PHE 69 -5.698 -5.747 -7.432 511 HD1 PHE 69 2HD PHE 69 -5.772 -5.545 -3.702 512 HD2 PHE 69 1HD PHE 69 -4.631 -7.748 -7.161 513 HE1 PHE 69 2HE PHE 69 -4.853 -7.318 -2.266 514 HE2 PHE 69 1HE PHE 69 -3.710 -9.525 -5.730 515 HZ PHE 69 HZ PHE 69 -3.820 -9.311 -3.279 516 H VAL 70 H VAL 70 -2.846 -3.682 -5.240 517 HA VAL 70 HA VAL 70 -1.502 -3.989 -7.847 518 HB VAL 70 HB VAL 70 0.119 -2.309 -7.219 519 HG11 VAL 70 1HG1 VAL 70 -1.268 -0.860 -8.170 520 HG12 VAL 70 2HG1 VAL 70 -2.664 -1.787 -7.616 521 HG13 VAL 70 3HG1 VAL 70 -1.973 -0.531 -6.588 522 HG21 VAL 70 3HG2 VAL 70 -1.332 -2.378 -4.605 523 HG22 VAL 70 1HG2 VAL 70 0.402 -2.424 -4.927 524 HG23 VAL 70 2HG2 VAL 70 -0.490 -0.913 -5.110 525 H ASP 71 H ASP 71 -1.921 -6.109 -6.052 526 HA ASP 71 HA ASP 71 0.448 -6.499 -4.464 527 HB2 ASP 71 1HB ASP 71 -1.798 -7.460 -3.886 528 HB3 ASP 71 2HB ASP 71 -1.625 -8.550 -5.259 529 H LYS 72 H LYS 72 -0.767 -7.617 -7.581 530 HA LYS 72 HA LYS 72 1.774 -9.018 -8.047 531 HB2 LYS 72 1HB LYS 72 -0.159 -10.426 -8.378 532 HB3 LYS 72 2HB LYS 72 -0.901 -9.232 -9.435 533 HG2 LYS 72 1HG LYS 72 -0.056 -10.900 -10.852 534 HG3 LYS 72 2HG LYS 72 1.084 -9.558 -10.972 535 HD2 LYS 72 1HD LYS 72 2.684 -10.657 -9.652 536 HD3 LYS 72 2HD LYS 72 1.506 -11.822 -9.043 537 HE2 LYS 72 1HE LYS 72 2.156 -11.681 -11.964 538 HE3 LYS 72 2HE LYS 72 3.198 -12.568 -10.853 539 HZ1 LYS 72 3HZ LYS 72 1.391 -13.976 -10.248 540 HZ2 LYS 72 1HZ LYS 72 1.468 -13.944 -11.938 541 HZ3 LYS 72 2HZ LYS 72 0.283 -13.049 -11.128 542 H GLU 73 H GLU 73 -0.176 -6.347 -9.065 543 HA GLU 73 HA GLU 73 0.695 -5.829 -11.617 544 HB2 GLU 73 1HB GLU 73 0.114 -3.911 -9.361 545 HB3 GLU 73 2HB GLU 73 0.412 -3.388 -11.013 546 HG2 GLU 73 1HG GLU 73 -1.743 -5.356 -10.321 547 HG3 GLU 73 2HG GLU 73 -2.004 -3.613 -10.289 548 H GLU 74 H GLU 74 2.242 -4.081 -12.314 549 HA GLU 74 HA GLU 74 4.838 -4.639 -11.128 550 HB2 GLU 74 1HB GLU 74 4.265 -4.626 -13.658 551 HB3 GLU 74 2HB GLU 74 4.380 -2.877 -13.517 552 HG2 GLU 74 1HG GLU 74 6.677 -3.126 -12.662 553 HG3 GLU 74 2HG GLU 74 6.552 -4.867 -12.904 554 H HIS 75 H HIS 75 6.390 -2.877 -10.780 555 HA HIS 75 HA HIS 75 5.444 -0.961 -8.994 556 HB2 HIS 75 1HB HIS 75 7.722 -1.510 -8.812 557 HB3 HIS 75 2HB HIS 75 8.020 -1.225 -10.524 558 HD1 HIS 75 1HD HIS 75 6.851 0.901 -7.580 559 HD2 HIS 75 2HD HIS 75 9.352 1.085 -10.893 560 HE1 HIS 75 1HE HIS 75 7.916 3.178 -7.493 561 HE2 HIS 75 2HE HIS 75 9.360 3.298 -9.553 562 H ALA 76 H ALA 76 5.953 -0.792 -12.459 563 HA ALA 76 HA ALA 76 5.685 2.027 -12.698 564 HB1 ALA 76 3HB ALA 76 5.281 1.516 -15.115 565 HB2 ALA 76 1HB ALA 76 6.770 0.840 -14.455 566 HB3 ALA 76 2HB ALA 76 5.365 -0.197 -14.703 567 H GLN 77 H GLN 77 3.428 -0.589 -12.421 568 HA GLN 77 HA GLN 77 1.180 0.924 -13.417 569 HB2 GLN 77 1HB GLN 77 1.599 -1.813 -12.316 570 HB3 GLN 77 2HB GLN 77 -0.023 -1.137 -12.248 571 HG2 GLN 77 1HG GLN 77 1.447 -1.020 -14.825 572 HG3 GLN 77 2HG GLN 77 0.794 -2.569 -14.295 573 HE21 GLN 77 1HE2 GLN 77 0.144 -0.267 -16.335 574 HE22 GLN 77 2HE2 GLN 77 -1.578 -0.170 -16.231 575 H VAL 78 H VAL 78 2.616 0.153 -10.322 576 HA VAL 78 HA VAL 78 0.393 1.124 -8.776 577 HB VAL 78 HB VAL 78 3.175 0.811 -7.695 578 HG11 VAL 78 1HG1 VAL 78 1.399 -0.271 -5.920 579 HG12 VAL 78 2HG1 VAL 78 2.009 1.383 -5.870 580 HG13 VAL 78 3HG1 VAL 78 0.460 1.037 -6.638 581 HG21 VAL 78 3HG2 VAL 78 2.178 -1.620 -7.216 582 HG22 VAL 78 1HG2 VAL 78 1.392 -1.296 -8.761 583 HG23 VAL 78 2HG2 VAL 78 3.151 -1.253 -8.640 584 H VAL 79 H VAL 79 3.458 2.400 -9.929 585 HA VAL 79 HA VAL 79 3.376 4.798 -8.385 586 HB VAL 79 HB VAL 79 5.485 3.927 -9.286 587 HG11 VAL 79 1HG1 VAL 79 5.956 3.648 -11.503 588 HG12 VAL 79 2HG1 VAL 79 4.222 3.325 -11.529 589 HG13 VAL 79 3HG1 VAL 79 4.833 4.907 -12.015 590 HG21 VAL 79 3HG2 VAL 79 5.010 6.416 -8.850 591 HG22 VAL 79 1HG2 VAL 79 6.446 5.995 -9.783 592 HG23 VAL 79 2HG2 VAL 79 4.999 6.577 -10.606 593 H GLU 80 H GLU 80 2.434 3.946 -11.689 594 HA GLU 80 HA GLU 80 1.815 6.507 -12.615 595 HB2 GLU 80 1HB GLU 80 0.920 5.471 -14.449 596 HB3 GLU 80 2HB GLU 80 1.855 4.134 -13.795 597 HG2 GLU 80 1HG GLU 80 -0.191 3.325 -12.656 598 HG3 GLU 80 2HG GLU 80 -1.098 4.603 -13.464 599 H LEU 81 H LEU 81 -0.215 4.131 -10.938 600 HA LEU 81 HA LEU 81 -2.629 5.528 -11.041 601 HB2 LEU 81 1HB LEU 81 -1.539 3.599 -9.005 602 HB3 LEU 81 2HB LEU 81 -3.186 4.223 -8.955 603 HG LEU 81 HG LEU 81 -2.168 2.791 -11.383 604 HD11 LEU 81 1HD1 LEU 81 -2.908 0.693 -10.500 605 HD12 LEU 81 2HD1 LEU 81 -3.448 1.457 -9.005 606 HD13 LEU 81 3HD1 LEU 81 -1.727 1.380 -9.383 607 HD21 LEU 81 3HD2 LEU 81 -4.936 2.745 -10.249 608 HD22 LEU 81 1HD2 LEU 81 -4.405 2.521 -11.916 609 HD23 LEU 81 2HD2 LEU 81 -4.377 4.128 -11.191 610 H VAL 82 H VAL 82 -0.057 5.599 -8.594 611 HA VAL 82 HA VAL 82 -1.317 7.392 -6.830 612 HB VAL 82 HB VAL 82 1.656 7.073 -7.257 613 HG11 VAL 82 1HG1 VAL 82 1.965 8.364 -5.464 614 HG12 VAL 82 2HG1 VAL 82 0.283 8.860 -5.664 615 HG13 VAL 82 3HG1 VAL 82 0.692 7.548 -4.557 616 HG21 VAL 82 3HG2 VAL 82 1.646 5.121 -6.134 617 HG22 VAL 82 1HG2 VAL 82 0.350 5.632 -5.053 618 HG23 VAL 82 2HG2 VAL 82 -0.033 5.037 -6.669 619 H ARG 83 H ARG 83 0.561 7.885 -9.739 620 HA ARG 83 HA ARG 83 0.982 10.684 -9.347 621 HB2 ARG 83 1HB ARG 83 2.538 9.773 -10.800 622 HB3 ARG 83 2HB ARG 83 1.344 8.771 -11.615 623 HG2 ARG 83 1HG ARG 83 0.705 10.435 -13.031 624 HG3 ARG 83 2HG ARG 83 1.094 11.715 -11.880 625 HD2 ARG 83 1HD ARG 83 3.177 10.027 -13.250 626 HD3 ARG 83 2HD ARG 83 2.598 11.563 -13.895 627 HE ARG 83 HE ARG 83 3.347 12.244 -11.412 628 HH11 ARG 83 1HH1 ARG 83 4.950 10.426 -13.911 629 HH12 ARG 83 2HH1 ARG 83 6.541 10.905 -13.420 630 HH21 ARG 83 1HH2 ARG 83 5.437 12.882 -10.756 631 HH22 ARG 83 2HH2 ARG 83 6.817 12.301 -11.625 632 H LYS 84 H LYS 84 -1.194 8.825 -11.471 633 HA LYS 84 HA LYS 84 -2.587 11.065 -12.468 634 HB2 LYS 84 1HB LYS 84 -4.153 9.501 -13.376 635 HB3 LYS 84 2HB LYS 84 -2.555 8.778 -13.495 636 HG2 LYS 84 1HG LYS 84 -3.021 7.445 -11.490 637 HG3 LYS 84 2HG LYS 84 -4.637 8.151 -11.411 638 HD2 LYS 84 1HD LYS 84 -3.644 6.702 -13.850 639 HD3 LYS 84 2HD LYS 84 -4.416 5.856 -12.507 640 HE2 LYS 84 1HE LYS 84 -6.316 7.557 -12.791 641 HE3 LYS 84 2HE LYS 84 -5.582 7.917 -14.352 642 HZ1 LYS 84 3HZ LYS 84 -6.116 5.116 -13.686 643 HZ2 LYS 84 1HZ LYS 84 -6.140 5.890 -15.190 644 HZ3 LYS 84 2HZ LYS 84 -7.427 6.096 -14.112 645 H SER 85 H SER 85 -3.061 9.024 -9.650 646 HA SER 85 HA SER 85 -5.573 9.451 -8.822 647 HB2 SER 85 1HB SER 85 -2.997 9.479 -7.291 648 HB3 SER 85 2HB SER 85 -4.510 9.811 -6.448 649 HG SER 85 HG SER 85 -4.020 7.592 -6.406 650 H GLY 86 H GLY 86 -2.962 11.843 -8.540 651 HA2 GLY 86 1HA GLY 86 -3.574 14.171 -9.051 652 HA3 GLY 86 2HA GLY 86 -5.046 13.899 -8.130 653 H ASN 87 H ASN 87 -4.777 15.449 -6.587 654 HA ASN 87 HA ASN 87 -2.288 15.770 -5.183 655 HB2 ASN 87 1HB ASN 87 -5.032 16.941 -4.671 656 HB3 ASN 87 2HB ASN 87 -3.567 17.406 -3.811 657 HD21 ASN 87 1HD2 ASN 87 -1.746 18.126 -5.242 658 HD22 ASN 87 2HD2 ASN 87 -2.158 19.133 -6.584 659 H SER 88 H SER 88 -5.487 14.442 -4.426 660 HA SER 88 HA SER 88 -4.484 13.473 -1.855 661 HB2 SER 88 1HB SER 88 -6.762 13.095 -1.243 662 HB3 SER 88 2HB SER 88 -6.716 14.661 -2.052 663 HG SER 88 HG SER 88 -7.686 13.809 -3.798 664 H VAL 89 H VAL 89 -3.865 11.438 -1.567 665 HA VAL 89 HA VAL 89 -4.853 9.374 -3.415 666 HB VAL 89 HB VAL 89 -1.991 9.531 -2.466 667 HG11 VAL 89 1HG1 VAL 89 -3.351 7.772 -4.504 668 HG12 VAL 89 2HG1 VAL 89 -1.621 7.788 -4.158 669 HG13 VAL 89 3HG1 VAL 89 -2.766 7.274 -2.917 670 HG21 VAL 89 3HG2 VAL 89 -2.480 9.861 -5.324 671 HG22 VAL 89 1HG2 VAL 89 -3.125 11.179 -4.344 672 HG23 VAL 89 2HG2 VAL 89 -1.414 10.761 -4.245 673 H THR 90 H THR 90 -5.620 7.627 -2.419 674 HA THR 90 HA THR 90 -5.116 7.336 0.458 675 HB THR 90 HB THR 90 -7.294 6.101 -1.239 676 HG1 THR 90 1HG THR 90 -7.664 8.042 0.783 677 HG21 THR 90 3HG2 THR 90 -7.257 6.208 1.757 678 HG22 THR 90 1HG2 THR 90 -6.456 4.894 0.897 679 HG23 THR 90 2HG2 THR 90 -8.188 5.155 0.692 680 H LEU 91 H LEU 91 -3.837 5.764 1.165 681 HA LEU 91 HA LEU 91 -3.386 3.430 -0.577 682 HB2 LEU 91 1HB LEU 91 -1.382 4.538 1.370 683 HB3 LEU 91 2HB LEU 91 -1.121 3.334 0.110 684 HG LEU 91 HG LEU 91 -1.846 6.183 -0.522 685 HD11 LEU 91 1HD1 LEU 91 0.717 5.063 0.388 686 HD12 LEU 91 2HD1 LEU 91 0.125 6.724 0.416 687 HD13 LEU 91 3HD1 LEU 91 0.791 6.051 -1.071 688 HD21 LEU 91 3HD2 LEU 91 -1.851 4.015 -2.115 689 HD22 LEU 91 1HD2 LEU 91 -0.169 4.518 -2.286 690 HD23 LEU 91 2HD2 LEU 91 -1.470 5.642 -2.681 691 H LEU 92 H LEU 92 -3.181 1.410 0.408 692 HA LEU 92 HA LEU 92 -4.088 1.308 3.210 693 HB2 LEU 92 1HB LEU 92 -4.828 -0.273 0.806 694 HB3 LEU 92 2HB LEU 92 -4.789 -1.105 2.359 695 HG LEU 92 HG LEU 92 -6.470 1.316 1.710 696 HD11 LEU 92 1HD1 LEU 92 -7.178 -0.739 0.541 697 HD12 LEU 92 2HD1 LEU 92 -8.352 -0.192 1.738 698 HD13 LEU 92 3HD1 LEU 92 -7.295 -1.557 2.100 699 HD21 LEU 92 3HD2 LEU 92 -6.688 1.555 3.905 700 HD22 LEU 92 1HD2 LEU 92 -5.654 0.157 4.195 701 HD23 LEU 92 2HD2 LEU 92 -7.392 -0.060 3.985 702 H VAL 93 H VAL 93 -2.406 0.834 4.465 703 HA VAL 93 HA VAL 93 -0.493 -1.208 3.535 704 HB VAL 93 HB VAL 93 1.116 -0.228 5.141 705 HG11 VAL 93 1HG1 VAL 93 -0.002 1.718 3.125 706 HG12 VAL 93 2HG1 VAL 93 1.606 1.795 3.846 707 HG13 VAL 93 3HG1 VAL 93 1.171 0.442 2.801 708 HG21 VAL 93 3HG2 VAL 93 0.439 1.166 6.732 709 HG22 VAL 93 1HG2 VAL 93 -0.056 2.334 5.506 710 HG23 VAL 93 2HG2 VAL 93 -1.199 1.120 6.080 711 H LEU 94 H LEU 94 0.015 -2.917 4.849 712 HA LEU 94 HA LEU 94 -1.612 -3.195 7.289 713 HB2 LEU 94 1HB LEU 94 -2.181 -4.736 5.431 714 HB3 LEU 94 2HB LEU 94 -0.544 -5.383 5.512 715 HG LEU 94 HG LEU 94 -1.029 -6.121 7.847 716 HD11 LEU 94 1HD1 LEU 94 -3.817 -5.242 7.117 717 HD12 LEU 94 2HD1 LEU 94 -2.811 -4.619 8.424 718 HD13 LEU 94 3HD1 LEU 94 -3.418 -6.273 8.492 719 HD21 LEU 94 3HD2 LEU 94 -2.920 -7.230 5.778 720 HD22 LEU 94 1HD2 LEU 94 -2.280 -8.066 7.193 721 HD23 LEU 94 2HD2 LEU 94 -1.201 -7.614 5.873 722 H ASP 95 H ASP 95 -0.668 -4.595 8.978 723 HA ASP 95 HA ASP 95 1.983 -3.762 9.597 724 HB2 ASP 95 1HB ASP 95 -0.036 -4.391 11.166 725 HB3 ASP 95 2HB ASP 95 0.648 -6.011 11.054 726 H GLY 96 H GLY 96 3.863 -5.011 9.822 727 HA2 GLY 96 1HA GLY 96 4.355 -6.870 7.782 728 HA3 GLY 96 2HA GLY 96 5.398 -6.585 9.167 729 H ASP 97 H ASP 97 3.767 -7.390 11.246 730 HA ASP 97 HA ASP 97 4.161 -10.162 11.257 731 HB2 ASP 97 1HB ASP 97 2.629 -8.274 13.014 732 HB3 ASP 97 2HB ASP 97 2.509 -10.012 13.275 733 H SER 98 H SER 98 1.034 -8.441 11.300 734 HA SER 98 HA SER 98 -0.672 -10.530 10.946 735 HB2 SER 98 1HB SER 98 -2.150 -8.903 9.680 736 HB3 SER 98 2HB SER 98 -1.576 -8.339 11.250 737 HG SER 98 HG SER 98 0.245 -7.476 9.750 738 H TYR 99 H TYR 99 1.186 -8.881 8.431 739 HA TYR 99 HA TYR 99 0.079 -10.117 6.192 740 HB2 TYR 99 1HB TYR 99 1.787 -8.189 6.331 741 HB3 TYR 99 2HB TYR 99 3.008 -9.455 6.393 742 HD1 TYR 99 2HD TYR 99 3.154 -11.088 4.468 743 HD2 TYR 99 1HD TYR 99 0.826 -7.531 4.283 744 HE1 TYR 99 2HE TYR 99 3.128 -11.239 2.013 745 HE2 TYR 99 1HE TYR 99 0.793 -7.673 1.828 746 HH TYR 99 HH TYR 99 1.538 -10.378 0.134 747 H GLU 100 H GLU 100 3.271 -10.956 7.540 748 HA GLU 100 HA GLU 100 3.781 -13.277 6.282 749 HB2 GLU 100 1HB GLU 100 4.185 -12.830 9.245 750 HB3 GLU 100 2HB GLU 100 5.024 -14.024 8.265 751 HG2 GLU 100 1HG GLU 100 5.946 -12.155 6.901 752 HG3 GLU 100 2HG GLU 100 5.229 -11.032 8.055 753 H LYS 101 H LYS 101 1.436 -12.823 8.844 754 HA LYS 101 HA LYS 101 0.887 -15.623 9.170 755 HB2 LYS 101 1HB LYS 101 0.468 -14.299 11.078 756 HB3 LYS 101 2HB LYS 101 -0.430 -13.102 10.153 757 HG2 LYS 101 1HG LYS 101 -2.193 -14.816 9.769 758 HG3 LYS 101 2HG LYS 101 -1.315 -15.891 10.860 759 HD2 LYS 101 1HD LYS 101 -2.443 -13.180 11.559 760 HD3 LYS 101 2HD LYS 101 -3.117 -14.741 12.033 761 HE2 LYS 101 1HE LYS 101 -1.931 -14.264 13.919 762 HE3 LYS 101 2HE LYS 101 -0.675 -15.086 12.996 763 HZ1 LYS 101 3HZ LYS 101 -0.632 -12.492 14.006 764 HZ2 LYS 101 1HZ LYS 101 -0.675 -12.358 12.320 765 HZ3 LYS 101 2HZ LYS 101 0.547 -13.259 13.066 766 H ALA 102 H ALA 102 -0.660 -12.910 7.504 767 HA ALA 102 HA ALA 102 -2.952 -14.298 6.634 768 HB1 ALA 102 3HB ALA 102 -1.910 -12.166 4.882 769 HB2 ALA 102 1HB ALA 102 -3.512 -12.378 5.588 770 HB3 ALA 102 2HB ALA 102 -2.198 -11.719 6.563 771 H VAL 103 H VAL 103 0.173 -13.695 5.053 772 HA VAL 103 HA VAL 103 -0.467 -15.024 2.637 773 HB VAL 103 HB VAL 103 1.357 -13.498 2.597 774 HG11 VAL 103 1HG1 VAL 103 3.501 -14.350 3.929 775 HG12 VAL 103 2HG1 VAL 103 2.301 -13.278 4.653 776 HG13 VAL 103 3HG1 VAL 103 2.251 -15.011 4.983 777 HG21 VAL 103 3HG2 VAL 103 1.494 -15.853 1.407 778 HG22 VAL 103 1HG2 VAL 103 2.827 -14.702 1.326 779 HG23 VAL 103 2HG2 VAL 103 2.889 -16.044 2.468 780 H LYS 104 H LYS 104 0.583 -16.133 5.745 781 HA LYS 104 HA LYS 104 1.538 -18.687 4.858 782 HB2 LYS 104 1HB LYS 104 0.927 -17.474 7.536 783 HB3 LYS 104 2HB LYS 104 1.258 -19.195 7.394 784 HG2 LYS 104 1HG LYS 104 3.173 -17.290 6.158 785 HG3 LYS 104 2HG LYS 104 3.165 -17.459 7.915 786 HD2 LYS 104 1HD LYS 104 3.275 -19.861 6.120 787 HD3 LYS 104 2HD LYS 104 4.738 -18.970 6.545 788 HE2 LYS 104 1HE LYS 104 3.899 -19.248 8.981 789 HE3 LYS 104 2HE LYS 104 2.886 -20.527 8.311 790 HZ1 LYS 104 3HZ LYS 104 5.845 -20.376 8.325 791 HZ2 LYS 104 1HZ LYS 104 4.992 -21.473 7.360 792 HZ3 LYS 104 2HZ LYS 104 4.859 -21.548 9.044 793 H ASN 105 H ASN 105 -1.522 -17.364 5.879 794 HA ASN 105 HA ASN 105 -2.734 -20.035 5.862 795 HB2 ASN 105 1HB ASN 105 -3.936 -17.398 6.737 796 HB3 ASN 105 2HB ASN 105 -4.666 -18.989 6.927 797 HD21 ASN 105 1HD2 ASN 105 -3.442 -16.713 8.692 798 HD22 ASN 105 2HD2 ASN 105 -2.571 -17.608 9.887 799 H GLN 106 H GLN 106 -1.934 -18.065 3.569 800 HA GLN 106 HA GLN 106 -2.770 -17.355 1.562 801 HB2 GLN 106 1HB GLN 106 -4.080 -20.026 1.999 802 HB3 GLN 106 2HB GLN 106 -4.344 -19.112 0.520 803 HG2 GLN 106 1HG GLN 106 -1.853 -20.405 1.527 804 HG3 GLN 106 2HG GLN 106 -2.616 -20.519 -0.058 805 HE21 GLN 106 1HE2 GLN 106 0.092 -19.587 1.201 806 HE22 GLN 106 2HE2 GLN 106 0.450 -18.163 0.290 807 H VAL 107 H VAL 107 -4.131 -16.272 3.849 808 HA VAL 107 HA VAL 107 -6.947 -16.317 3.464 809 HB VAL 107 HB VAL 107 -5.236 -14.273 4.885 810 HG11 VAL 107 1HG1 VAL 107 -7.275 -13.573 5.997 811 HG12 VAL 107 2HG1 VAL 107 -7.449 -13.404 4.250 812 HG13 VAL 107 3HG1 VAL 107 -8.206 -14.761 5.085 813 HG21 VAL 107 3HG2 VAL 107 -5.070 -15.712 6.572 814 HG22 VAL 107 1HG2 VAL 107 -6.815 -15.968 6.582 815 HG23 VAL 107 2HG2 VAL 107 -5.788 -16.945 5.534 816 H ASP 108 H ASP 108 -8.098 -15.362 1.932 817 HA ASP 108 HA ASP 108 -7.196 -13.972 -0.215 818 HB2 ASP 108 1HB ASP 108 -9.847 -13.581 1.190 819 HB3 ASP 108 2HB ASP 108 -9.488 -13.036 -0.446 820 H LEU 109 H LEU 109 -6.236 -12.083 -0.535 821 HA LEU 109 HA LEU 109 -6.362 -10.062 1.587 822 HB2 LEU 109 1HB LEU 109 -4.429 -10.448 -0.692 823 HB3 LEU 109 2HB LEU 109 -4.386 -9.082 0.422 824 HG LEU 109 HG LEU 109 -4.154 -11.915 1.394 825 HD11 LEU 109 1HD1 LEU 109 -2.429 -11.268 -0.397 826 HD12 LEU 109 2HD1 LEU 109 -1.842 -11.909 1.137 827 HD13 LEU 109 3HD1 LEU 109 -1.783 -10.174 0.827 828 HD21 LEU 109 3HD2 LEU 109 -4.648 -10.227 3.064 829 HD22 LEU 109 1HD2 LEU 109 -3.291 -9.248 2.508 830 HD23 LEU 109 2HD2 LEU 109 -2.997 -10.814 3.263 831 H LYS 110 H LYS 110 -7.479 -10.734 -1.552 832 HA LYS 110 HA LYS 110 -7.683 -8.062 -2.527 833 HB2 LYS 110 1HB LYS 110 -9.039 -10.638 -3.322 834 HB3 LYS 110 2HB LYS 110 -9.331 -9.112 -4.147 835 HG2 LYS 110 1HG LYS 110 -6.863 -8.993 -4.587 836 HG3 LYS 110 2HG LYS 110 -6.749 -10.643 -3.973 837 HD2 LYS 110 1HD LYS 110 -7.941 -11.525 -5.753 838 HD3 LYS 110 2HD LYS 110 -8.712 -9.983 -6.132 839 HE2 LYS 110 1HE LYS 110 -6.727 -9.126 -7.098 840 HE3 LYS 110 2HE LYS 110 -5.757 -10.449 -6.452 841 HZ1 LYS 110 3HZ LYS 110 -7.554 -10.419 -8.764 842 HZ2 LYS 110 1HZ LYS 110 -7.404 -11.862 -7.894 843 HZ3 LYS 110 2HZ LYS 110 -6.037 -11.146 -8.586 844 H GLU 111 H GLU 111 -9.267 -9.642 -0.063 845 HA GLU 111 HA GLU 111 -11.715 -8.048 -0.395 846 HB2 GLU 111 1HB GLU 111 -12.726 -9.556 1.264 847 HB3 GLU 111 2HB GLU 111 -12.117 -10.435 -0.132 848 HG2 GLU 111 1HG GLU 111 -10.063 -10.950 1.191 849 HG3 GLU 111 2HG GLU 111 -10.863 -10.242 2.593 850 H LEU 112 H LEU 112 -9.005 -7.207 0.644 851 HA LEU 112 HA LEU 112 -9.612 -6.563 3.423 852 HB2 LEU 112 1HB LEU 112 -7.163 -5.981 1.763 853 HB3 LEU 112 2HB LEU 112 -7.334 -5.660 3.488 854 HG LEU 112 HG LEU 112 -7.315 -8.382 2.183 855 HD11 LEU 112 1HD1 LEU 112 -5.105 -7.891 2.152 856 HD12 LEU 112 2HD1 LEU 112 -5.221 -8.394 3.838 857 HD13 LEU 112 3HD1 LEU 112 -5.240 -6.679 3.427 858 HD21 LEU 112 3HD2 LEU 112 -7.022 -8.993 4.705 859 HD22 LEU 112 1HD2 LEU 112 -8.632 -8.720 4.040 860 HD23 LEU 112 2HD2 LEU 112 -7.836 -7.451 4.971 861 H ASP 113 H ASP 113 -10.750 -4.800 3.847 862 HA ASP 113 HA ASP 113 -10.045 -2.274 2.643 863 HB2 ASP 113 1HB ASP 113 -12.532 -1.865 2.060 864 HB3 ASP 113 2HB ASP 113 -11.557 -2.815 0.942 865 H GLN 114 H GLN 114 -9.755 -1.179 4.480 866 HA GLN 114 HA GLN 114 -10.725 -1.575 6.965 867 HB2 GLN 114 1HB GLN 114 -9.184 0.319 5.945 868 HB3 GLN 114 2HB GLN 114 -10.669 1.257 6.025 869 HG2 GLN 114 1HG GLN 114 -10.702 0.295 8.492 870 HG3 GLN 114 2HG GLN 114 -8.965 0.206 8.207 871 HE21 GLN 114 1HE2 GLN 114 -9.531 1.792 10.150 872 HE22 GLN 114 2HE2 GLN 114 -9.492 3.461 9.706 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -30.642 -18.837 27.114 2 HA2 GLY 1 1HA GLY 1 -30.593 -16.246 28.499 3 HA3 GLY 1 2HA GLY 1 -29.229 -17.340 28.324 4 H SER 2 H SER 2 -27.900 -15.685 27.530 5 HA SER 2 HA SER 2 -28.163 -15.252 24.682 6 HB2 SER 2 1HB SER 2 -28.580 -13.085 26.681 7 HB3 SER 2 2HB SER 2 -27.634 -12.692 25.245 8 HG SER 2 HG SER 2 -29.439 -12.596 24.196 9 H SER 3 H SER 3 -26.236 -16.046 24.118 10 HA SER 3 HA SER 3 -23.857 -15.054 25.547 11 HB2 SER 3 1HB SER 3 -24.445 -17.718 24.279 12 HB3 SER 3 2HB SER 3 -22.783 -17.181 24.523 13 HG SER 3 HG SER 3 -24.726 -17.278 26.586 14 H GLY 4 H GLY 4 -21.829 -15.256 24.067 15 HA2 GLY 4 1HA GLY 4 -22.435 -14.572 21.286 16 HA3 GLY 4 2HA GLY 4 -21.613 -13.359 22.257 17 H SER 5 H SER 5 -20.500 -14.401 19.934 18 HA SER 5 HA SER 5 -18.137 -15.735 21.045 19 HB2 SER 5 1HB SER 5 -19.381 -16.558 18.414 20 HB3 SER 5 2HB SER 5 -18.016 -17.314 19.235 21 HG SER 5 HG SER 5 -19.581 -17.711 20.992 22 H SER 6 H SER 6 -16.389 -15.814 19.189 23 HA SER 6 HA SER 6 -16.080 -13.054 18.320 24 HB2 SER 6 1HB SER 6 -14.240 -14.296 19.504 25 HB3 SER 6 2HB SER 6 -14.093 -15.322 18.077 26 HG SER 6 HG SER 6 -13.986 -12.529 17.801 27 H GLY 7 H GLY 7 -15.490 -16.235 16.802 28 HA2 GLY 7 1HA GLY 7 -17.062 -16.139 14.619 29 HA3 GLY 7 2HA GLY 7 -15.751 -15.059 14.166 30 H MET 8 H MET 8 -15.423 -16.629 12.425 31 HA MET 8 HA MET 8 -13.792 -18.903 13.348 32 HB2 MET 8 1HB MET 8 -15.838 -18.759 11.157 33 HB3 MET 8 2HB MET 8 -14.519 -19.919 11.063 34 HG2 MET 8 1HG MET 8 -16.571 -19.720 13.255 35 HG3 MET 8 2HG MET 8 -16.493 -20.949 11.995 36 HE1 MET 8 3HE MET 8 -15.625 -23.249 12.561 37 HE2 MET 8 1HE MET 8 -15.168 -23.586 14.231 38 HE3 MET 8 2HE MET 8 -16.693 -22.771 13.882 39 H ALA 9 H ALA 9 -14.430 -16.879 10.478 40 HA ALA 9 HA ALA 9 -11.862 -17.338 9.341 41 HB1 ALA 9 3HB ALA 9 -12.476 -15.594 7.745 42 HB2 ALA 9 1HB ALA 9 -13.790 -16.749 7.969 43 HB3 ALA 9 2HB ALA 9 -13.866 -15.166 8.743 44 H SER 10 H SER 10 -10.610 -15.199 8.649 45 HA SER 10 HA SER 10 -10.195 -13.577 11.073 46 HB2 SER 10 1HB SER 10 -8.122 -14.904 9.324 47 HB3 SER 10 2HB SER 10 -7.730 -13.579 10.420 48 HG SER 10 HG SER 10 -9.083 -15.889 11.318 49 H THR 11 H THR 11 -10.783 -11.572 10.590 50 HA THR 11 HA THR 11 -10.306 -10.546 7.882 51 HB THR 11 HB THR 11 -11.833 -8.677 8.580 52 HG1 THR 11 1HG THR 11 -12.772 -10.247 10.691 53 HG21 THR 11 3HG2 THR 11 -12.597 -11.517 8.285 54 HG22 THR 11 1HG2 THR 11 -13.062 -10.114 7.325 55 HG23 THR 11 2HG2 THR 11 -13.856 -10.428 8.868 56 H PHE 12 H PHE 12 -8.458 -9.480 7.638 57 HA PHE 12 HA PHE 12 -7.128 -8.233 9.874 58 HB2 PHE 12 1HB PHE 12 -6.413 -8.339 6.936 59 HB3 PHE 12 2HB PHE 12 -5.382 -7.670 8.197 60 HD1 PHE 12 2HD PHE 12 -7.018 -10.783 7.041 61 HD2 PHE 12 1HD PHE 12 -3.977 -9.048 9.461 62 HE1 PHE 12 2HE PHE 12 -6.066 -13.016 7.439 63 HE2 PHE 12 1HE PHE 12 -3.020 -11.279 9.863 64 HZ PHE 12 HZ PHE 12 -4.065 -13.266 8.853 65 H ASN 13 H ASN 13 -7.054 -6.118 10.369 66 HA ASN 13 HA ASN 13 -8.564 -4.280 8.636 67 HB2 ASN 13 1HB ASN 13 -8.711 -2.885 10.780 68 HB3 ASN 13 2HB ASN 13 -9.659 -4.368 10.725 69 HD21 ASN 13 1HD2 ASN 13 -8.002 -2.599 12.759 70 HD22 ASN 13 2HD2 ASN 13 -7.294 -3.806 13.772 71 HA PRO 14 HA PRO 14 -4.287 -2.774 8.125 72 HB2 PRO 14 1HB PRO 14 -4.755 -1.660 5.694 73 HB3 PRO 14 2HB PRO 14 -4.389 -3.376 5.910 74 HG2 PRO 14 1HG PRO 14 -7.040 -2.037 5.533 75 HG3 PRO 14 2HG PRO 14 -6.428 -3.532 4.803 76 HD2 PRO 14 1HD PRO 14 -8.128 -3.530 6.911 77 HD3 PRO 14 2HD PRO 14 -6.898 -4.788 6.678 78 H ARG 15 H ARG 15 -3.426 -0.640 8.037 79 HA ARG 15 HA ARG 15 -5.264 1.360 9.081 80 HB2 ARG 15 1HB ARG 15 -3.024 0.867 10.137 81 HB3 ARG 15 2HB ARG 15 -2.276 1.595 8.721 82 HG2 ARG 15 1HG ARG 15 -3.772 3.635 9.295 83 HG3 ARG 15 2HG ARG 15 -3.871 2.883 10.889 84 HD2 ARG 15 1HD ARG 15 -1.492 2.963 11.145 85 HD3 ARG 15 2HD ARG 15 -1.280 3.485 9.474 86 HE ARG 15 HE ARG 15 -1.770 5.631 10.113 87 HH11 ARG 15 1HH1 ARG 15 -2.685 3.434 12.654 88 HH12 ARG 15 2HH1 ARG 15 -3.019 4.691 13.799 89 HH21 ARG 15 1HH2 ARG 15 -2.205 7.294 11.611 90 HH22 ARG 15 2HH2 ARG 15 -2.746 6.886 13.205 91 H GLU 16 H GLU 16 -6.325 2.551 7.637 92 HA GLU 16 HA GLU 16 -5.298 3.040 5.000 93 HB2 GLU 16 1HB GLU 16 -7.690 2.729 5.340 94 HB3 GLU 16 2HB GLU 16 -7.741 4.120 6.414 95 HG2 GLU 16 1HG GLU 16 -6.763 5.351 4.297 96 HG3 GLU 16 2HG GLU 16 -7.538 4.009 3.456 97 H CYS 17 H CYS 17 -3.937 4.601 4.464 98 HA CYS 17 HA CYS 17 -3.794 6.993 6.177 99 HB2 CYS 17 1HB CYS 17 -1.649 5.699 4.483 100 HB3 CYS 17 2HB CYS 17 -1.457 7.228 5.331 101 HG CYS 17 HG CYS 17 -0.154 5.709 7.053 102 H LYS 18 H LYS 18 -4.645 8.744 5.292 103 HA LYS 18 HA LYS 18 -4.876 8.924 2.382 104 HB2 LYS 18 1HB LYS 18 -6.149 10.513 4.614 105 HB3 LYS 18 2HB LYS 18 -6.372 10.877 2.908 106 HG2 LYS 18 1HG LYS 18 -7.085 8.330 2.834 107 HG3 LYS 18 2HG LYS 18 -7.450 8.644 4.533 108 HD2 LYS 18 1HD LYS 18 -9.449 9.240 3.607 109 HD3 LYS 18 2HD LYS 18 -8.613 10.791 3.502 110 HE2 LYS 18 1HE LYS 18 -8.035 10.370 1.198 111 HE3 LYS 18 2HE LYS 18 -8.716 8.747 1.287 112 HZ1 LYS 18 3HZ LYS 18 -10.020 11.115 0.612 113 HZ2 LYS 18 1HZ LYS 18 -10.668 10.601 2.087 114 HZ3 LYS 18 2HZ LYS 18 -10.685 9.566 0.750 115 H LEU 19 H LEU 19 -3.049 9.711 1.506 116 HA LEU 19 HA LEU 19 -1.554 11.819 2.818 117 HB2 LEU 19 1HB LEU 19 -1.138 10.021 0.496 118 HB3 LEU 19 2HB LEU 19 -0.293 11.568 0.485 119 HG LEU 19 HG LEU 19 0.603 10.900 2.782 120 HD11 LEU 19 1HD1 LEU 19 -1.162 8.802 2.481 121 HD12 LEU 19 2HD1 LEU 19 0.139 8.910 3.665 122 HD13 LEU 19 3HD1 LEU 19 0.408 8.078 2.133 123 HD21 LEU 19 3HD2 LEU 19 2.072 10.946 0.920 124 HD22 LEU 19 1HD2 LEU 19 1.380 9.468 0.251 125 HD23 LEU 19 2HD2 LEU 19 2.333 9.402 1.734 126 H SER 20 H SER 20 -1.066 13.844 1.834 127 HA SER 20 HA SER 20 -2.848 14.686 -0.336 128 HB2 SER 20 1HB SER 20 -3.371 16.784 0.907 129 HB3 SER 20 2HB SER 20 -4.017 15.341 1.687 130 HG SER 20 HG SER 20 -1.490 16.342 2.415 131 H LYS 21 H LYS 21 -1.969 16.131 -1.730 132 HA LYS 21 HA LYS 21 0.446 17.580 -1.017 133 HB2 LYS 21 1HB LYS 21 1.836 16.676 -2.699 134 HB3 LYS 21 2HB LYS 21 1.118 15.287 -1.894 135 HG2 LYS 21 1HG LYS 21 -0.540 15.131 -3.714 136 HG3 LYS 21 2HG LYS 21 0.275 16.464 -4.535 137 HD2 LYS 21 1HD LYS 21 2.381 15.047 -4.426 138 HD3 LYS 21 2HD LYS 21 1.333 13.708 -3.952 139 HE2 LYS 21 1HE LYS 21 -0.015 14.252 -6.051 140 HE3 LYS 21 2HE LYS 21 1.359 15.244 -6.535 141 HZ1 LYS 21 3HZ LYS 21 1.054 12.413 -6.638 142 HZ2 LYS 21 1HZ LYS 21 2.452 12.846 -5.790 143 HZ3 LYS 21 2HZ LYS 21 2.220 13.394 -7.373 144 H GLN 22 H GLN 22 1.227 18.741 -3.199 145 HA GLN 22 HA GLN 22 -1.046 20.324 -4.016 146 HB2 GLN 22 1HB GLN 22 1.918 20.527 -4.330 147 HB3 GLN 22 2HB GLN 22 0.886 21.451 -5.414 148 HG2 GLN 22 1HG GLN 22 -0.183 22.509 -3.480 149 HG3 GLN 22 2HG GLN 22 0.882 21.600 -2.408 150 HE21 GLN 22 1HE2 GLN 22 2.209 23.044 -1.551 151 HE22 GLN 22 2HE2 GLN 22 3.142 24.201 -2.430 152 H GLU 23 H GLU 23 -1.057 21.020 -6.425 153 HA GLU 23 HA GLU 23 -1.556 18.643 -7.958 154 HB2 GLU 23 1HB GLU 23 -1.639 21.514 -8.894 155 HB3 GLU 23 2HB GLU 23 -2.405 20.129 -9.659 156 HG2 GLU 23 1HG GLU 23 -3.780 19.865 -7.577 157 HG3 GLU 23 2HG GLU 23 -3.130 21.414 -7.042 158 H GLY 24 H GLY 24 0.219 17.564 -8.616 159 HA2 GLY 24 1HA GLY 24 1.852 17.202 -10.275 160 HA3 GLY 24 2HA GLY 24 1.985 18.941 -10.491 161 H GLN 25 H GLN 25 2.007 18.025 -7.235 162 HA GLN 25 HA GLN 25 4.908 18.454 -7.133 163 HB2 GLN 25 1HB GLN 25 3.277 19.944 -5.846 164 HB3 GLN 25 2HB GLN 25 3.013 18.560 -4.794 165 HG2 GLN 25 1HG GLN 25 5.255 18.571 -4.055 166 HG3 GLN 25 2HG GLN 25 5.739 19.703 -5.317 167 HE21 GLN 25 1HE2 GLN 25 5.466 19.565 -2.183 168 HE22 GLN 25 2HE2 GLN 25 4.891 21.150 -1.805 169 H ASN 26 H ASN 26 6.125 17.248 -5.475 170 HA ASN 26 HA ASN 26 5.422 14.439 -5.593 171 HB2 ASN 26 1HB ASN 26 7.859 15.762 -4.379 172 HB3 ASN 26 2HB ASN 26 7.660 14.043 -4.709 173 HD21 ASN 26 1HD2 ASN 26 7.245 13.475 -7.002 174 HD22 ASN 26 2HD2 ASN 26 8.090 14.370 -8.214 175 H TYR 27 H TYR 27 5.759 13.083 -3.604 176 HA TYR 27 HA TYR 27 4.263 14.284 -1.408 177 HB2 TYR 27 1HB TYR 27 4.769 11.514 -2.364 178 HB3 TYR 27 2HB TYR 27 4.491 11.731 -0.640 179 HD1 TYR 27 2HD TYR 27 2.409 13.436 -0.185 180 HD2 TYR 27 1HD TYR 27 2.916 10.951 -3.602 181 HE1 TYR 27 2HE TYR 27 -0.018 13.492 -0.579 182 HE2 TYR 27 1HE TYR 27 0.490 11.002 -4.006 183 HH TYR 27 HH TYR 27 -1.720 12.534 -1.732 184 H GLY 28 H GLY 28 7.080 12.102 -1.674 185 HA2 GLY 28 1HA GLY 28 9.104 13.258 -0.519 186 HA3 GLY 28 2HA GLY 28 8.052 13.166 0.886 187 H PHE 29 H PHE 29 7.038 10.532 -0.375 188 HA PHE 29 HA PHE 29 9.208 8.882 0.732 189 HB2 PHE 29 1HB PHE 29 7.625 7.370 1.532 190 HB3 PHE 29 2HB PHE 29 6.824 8.920 1.768 191 HD1 PHE 29 1HD PHE 29 5.044 9.636 0.199 192 HD2 PHE 29 2HD PHE 29 6.747 5.737 0.065 193 HE1 PHE 29 1HE PHE 29 3.126 8.847 -1.126 194 HE2 PHE 29 2HE PHE 29 4.833 4.943 -1.260 195 HZ PHE 29 HZ PHE 29 3.019 6.498 -1.858 196 H PHE 30 H PHE 30 9.375 6.664 -0.205 197 HA PHE 30 HA PHE 30 8.661 6.574 -3.050 198 HB2 PHE 30 1HB PHE 30 11.402 6.021 -1.899 199 HB3 PHE 30 2HB PHE 30 10.925 5.662 -3.556 200 HD1 PHE 30 1HD PHE 30 9.732 7.809 -4.721 201 HD2 PHE 30 2HD PHE 30 12.646 7.915 -1.621 202 HE1 PHE 30 1HE PHE 30 10.364 10.088 -5.398 203 HE2 PHE 30 2HE PHE 30 13.282 10.194 -2.292 204 HZ PHE 30 HZ PHE 30 12.141 11.285 -4.182 205 H LEU 31 H LEU 31 8.820 4.392 -3.980 206 HA LEU 31 HA LEU 31 8.276 2.335 -1.943 207 HB2 LEU 31 1HB LEU 31 7.257 2.502 -4.776 208 HB3 LEU 31 2HB LEU 31 6.879 1.230 -3.616 209 HG LEU 31 HG LEU 31 6.193 4.049 -2.928 210 HD11 LEU 31 1HD1 LEU 31 5.442 3.336 -5.342 211 HD12 LEU 31 2HD1 LEU 31 4.335 4.175 -4.257 212 HD13 LEU 31 3HD1 LEU 31 4.219 2.426 -4.454 213 HD21 LEU 31 3HD2 LEU 31 4.212 2.781 -1.952 214 HD22 LEU 31 1HD2 LEU 31 5.786 2.508 -1.203 215 HD23 LEU 31 2HD2 LEU 31 5.118 1.311 -2.314 216 H ARG 32 H ARG 32 9.794 0.838 -1.767 217 HA ARG 32 HA ARG 32 11.602 0.363 -4.025 218 HB2 ARG 32 1HB ARG 32 11.822 0.094 -1.072 219 HB3 ARG 32 2HB ARG 32 12.742 -1.039 -2.053 220 HG2 ARG 32 1HG ARG 32 13.459 1.191 -3.291 221 HG3 ARG 32 2HG ARG 32 13.070 1.885 -1.716 222 HD2 ARG 32 1HD ARG 32 14.600 0.316 -0.641 223 HD3 ARG 32 2HD ARG 32 14.972 -0.404 -2.207 224 HE ARG 32 HE ARG 32 15.479 2.424 -2.073 225 HH11 ARG 32 1HH1 ARG 32 16.774 -0.756 -1.497 226 HH12 ARG 32 2HH1 ARG 32 18.426 -0.248 -1.621 227 HH21 ARG 32 1HH2 ARG 32 17.650 3.105 -2.238 228 HH22 ARG 32 2HH2 ARG 32 18.923 1.949 -2.041 229 H ILE 33 H ILE 33 12.343 -1.915 -4.337 230 HA ILE 33 HA ILE 33 10.106 -3.795 -3.941 231 HB ILE 33 HB ILE 33 11.061 -4.917 -6.056 232 HG12 ILE 33 1HG1 ILE 33 11.994 -2.140 -6.718 233 HG13 ILE 33 2HG1 ILE 33 13.086 -3.280 -5.938 234 HG21 ILE 33 1HG2 ILE 33 9.424 -3.913 -7.296 235 HG22 ILE 33 2HG2 ILE 33 8.944 -3.393 -5.682 236 HG23 ILE 33 3HG2 ILE 33 9.836 -2.293 -6.733 237 HD11 ILE 33 3HD1 ILE 33 11.785 -4.510 -8.183 238 HD12 ILE 33 1HD1 ILE 33 12.575 -3.008 -8.662 239 HD13 ILE 33 2HD1 ILE 33 13.504 -4.279 -7.865 240 H GLU 34 H GLU 34 10.552 -5.733 -3.066 241 HA GLU 34 HA GLU 34 13.389 -6.405 -2.629 242 HB2 GLU 34 1HB GLU 34 12.006 -5.735 -0.592 243 HB3 GLU 34 2HB GLU 34 11.120 -7.236 -0.826 244 HG2 GLU 34 1HG GLU 34 12.922 -7.379 0.864 245 HG3 GLU 34 2HG GLU 34 13.083 -8.538 -0.454 246 H LYS 35 H LYS 35 13.895 -8.685 -2.494 247 HA LYS 35 HA LYS 35 12.425 -10.206 -4.469 248 HB2 LYS 35 1HB LYS 35 14.255 -11.802 -4.320 249 HB3 LYS 35 2HB LYS 35 14.889 -10.170 -4.487 250 HG2 LYS 35 1HG LYS 35 15.759 -10.141 -2.380 251 HG3 LYS 35 2HG LYS 35 14.555 -11.266 -1.747 252 HD2 LYS 35 1HD LYS 35 15.672 -13.044 -3.167 253 HD3 LYS 35 2HD LYS 35 16.978 -11.884 -3.425 254 HE2 LYS 35 1HE LYS 35 17.620 -13.287 -1.612 255 HE3 LYS 35 2HE LYS 35 17.197 -11.714 -0.936 256 HZ1 LYS 35 3HZ LYS 35 16.111 -14.228 -0.319 257 HZ2 LYS 35 1HZ LYS 35 14.883 -13.267 -0.977 258 HZ3 LYS 35 2HZ LYS 35 15.748 -12.726 0.372 259 H ASP 36 H ASP 36 11.509 -12.256 -4.136 260 HA ASP 36 HA ASP 36 10.126 -13.698 -3.036 261 HB2 ASP 36 1HB ASP 36 12.589 -14.220 -2.221 262 HB3 ASP 36 2HB ASP 36 11.956 -13.662 -0.675 263 H THR 37 H THR 37 9.331 -11.068 -2.744 264 HA THR 37 HA THR 37 8.055 -11.175 -0.107 265 HB THR 37 HB THR 37 9.134 -8.587 -1.225 266 HG1 THR 37 1HG THR 37 11.006 -9.291 -0.537 267 HG21 THR 37 3HG2 THR 37 7.578 -7.901 0.286 268 HG22 THR 37 1HG2 THR 37 8.899 -8.199 1.414 269 HG23 THR 37 2HG2 THR 37 7.636 -9.410 1.196 270 H ASP 38 H ASP 38 5.999 -10.268 -0.007 271 HA ASP 38 HA ASP 38 4.787 -9.711 -2.627 272 HB2 ASP 38 1HB ASP 38 3.964 -11.653 -1.167 273 HB3 ASP 38 2HB ASP 38 3.282 -10.417 -0.113 274 H GLY 39 H GLY 39 3.665 -7.855 -3.003 275 HA2 GLY 39 1HA GLY 39 2.619 -5.827 -2.519 276 HA3 GLY 39 2HA GLY 39 3.005 -6.060 -0.821 277 H HIS 40 H HIS 40 3.291 -3.611 -2.176 278 HA HIS 40 HA HIS 40 6.112 -3.281 -2.766 279 HB2 HIS 40 1HB HIS 40 3.707 -1.487 -2.869 280 HB3 HIS 40 2HB HIS 40 5.328 -0.799 -2.929 281 HD1 HIS 40 1HD HIS 40 6.706 -1.194 -5.069 282 HD2 HIS 40 2HD HIS 40 2.920 -2.903 -5.160 283 HE1 HIS 40 1HE HIS 40 6.321 -1.849 -7.467 284 HE2 HIS 40 2HE HIS 40 3.991 -2.803 -7.513 285 H LEU 41 H LEU 41 7.618 -2.605 -1.379 286 HA LEU 41 HA LEU 41 6.769 -1.878 1.328 287 HB2 LEU 41 1HB LEU 41 9.389 -2.813 0.187 288 HB3 LEU 41 2HB LEU 41 9.228 -2.210 1.835 289 HG LEU 41 HG LEU 41 7.346 -4.099 1.910 290 HD11 LEU 41 1HD1 LEU 41 8.255 -4.554 -0.590 291 HD12 LEU 41 2HD1 LEU 41 7.544 -5.793 0.444 292 HD13 LEU 41 3HD1 LEU 41 9.297 -5.637 0.334 293 HD21 LEU 41 3HD2 LEU 41 8.734 -5.060 3.382 294 HD22 LEU 41 1HD2 LEU 41 9.817 -3.720 3.004 295 HD23 LEU 41 2HD2 LEU 41 10.014 -5.271 2.187 296 H ILE 42 H ILE 42 7.063 0.099 2.162 297 HA ILE 42 HA ILE 42 8.025 2.200 0.422 298 HB ILE 42 HB ILE 42 6.808 2.238 3.179 299 HG12 ILE 42 1HG1 ILE 42 5.689 3.643 0.797 300 HG13 ILE 42 2HG1 ILE 42 5.540 1.890 0.870 301 HG21 ILE 42 1HG2 ILE 42 6.741 4.823 2.437 302 HG22 ILE 42 2HG2 ILE 42 8.005 4.131 3.451 303 HG23 ILE 42 3HG2 ILE 42 8.277 4.337 1.721 304 HD11 ILE 42 3HD1 ILE 42 3.553 2.809 1.763 305 HD12 ILE 42 1HD1 ILE 42 4.482 2.175 3.121 306 HD13 ILE 42 2HD1 ILE 42 4.452 3.910 2.806 307 H ARG 43 H ARG 43 9.920 3.249 0.555 308 HA ARG 43 HA ARG 43 11.571 2.975 2.945 309 HB2 ARG 43 1HB ARG 43 12.230 1.110 1.469 310 HB3 ARG 43 2HB ARG 43 12.569 2.260 0.182 311 HG2 ARG 43 1HG ARG 43 14.670 1.984 0.988 312 HG3 ARG 43 2HG ARG 43 14.145 3.306 2.033 313 HD2 ARG 43 1HD ARG 43 13.978 1.968 3.875 314 HD3 ARG 43 2HD ARG 43 13.594 0.530 2.929 315 HE ARG 43 HE ARG 43 16.142 0.940 2.253 316 HH11 ARG 43 1HH1 ARG 43 14.571 0.942 5.360 317 HH12 ARG 43 2HH1 ARG 43 15.974 0.393 6.215 318 HH21 ARG 43 1HH2 ARG 43 17.996 0.217 3.368 319 HH22 ARG 43 2HH2 ARG 43 17.922 -0.018 5.081 320 H VAL 44 H VAL 44 13.155 4.592 3.171 321 HA VAL 44 HA VAL 44 14.148 6.628 2.874 322 HB VAL 44 HB VAL 44 12.969 6.745 0.104 323 HG11 VAL 44 1HG1 VAL 44 15.659 7.780 0.789 324 HG12 VAL 44 2HG1 VAL 44 14.445 8.420 -0.320 325 HG13 VAL 44 3HG1 VAL 44 14.270 8.664 1.419 326 HG21 VAL 44 3HG2 VAL 44 15.586 5.470 0.893 327 HG22 VAL 44 1HG2 VAL 44 14.125 4.583 0.455 328 HG23 VAL 44 2HG2 VAL 44 14.924 5.610 -0.736 329 H ILE 45 H ILE 45 11.922 6.667 4.297 330 HA ILE 45 HA ILE 45 9.968 8.501 3.227 331 HB ILE 45 HB ILE 45 10.296 7.413 6.026 332 HG12 ILE 45 1HG1 ILE 45 8.353 6.631 3.841 333 HG13 ILE 45 2HG1 ILE 45 9.797 5.720 4.269 334 HG21 ILE 45 1HG2 ILE 45 8.211 8.334 6.576 335 HG22 ILE 45 2HG2 ILE 45 9.065 9.627 5.735 336 HG23 ILE 45 3HG2 ILE 45 7.829 8.694 4.893 337 HD11 ILE 45 3HD1 ILE 45 8.756 5.676 6.639 338 HD12 ILE 45 1HD1 ILE 45 7.259 6.066 5.794 339 HD13 ILE 45 2HD1 ILE 45 8.139 4.591 5.394 340 H GLU 46 H GLU 46 11.391 10.283 2.763 341 HA GLU 46 HA GLU 46 13.123 11.644 4.288 342 HB2 GLU 46 1HB GLU 46 12.264 12.340 2.036 343 HB3 GLU 46 2HB GLU 46 10.861 13.027 2.842 344 HG2 GLU 46 1HG GLU 46 12.341 14.530 4.100 345 HG3 GLU 46 2HG GLU 46 13.724 13.867 3.231 346 H GLU 47 H GLU 47 13.080 13.279 5.871 347 HA GLU 47 HA GLU 47 11.055 12.904 7.870 348 HB2 GLU 47 1HB GLU 47 13.603 13.392 8.164 349 HB3 GLU 47 2HB GLU 47 13.121 15.074 7.987 350 HG2 GLU 47 1HG GLU 47 11.647 13.399 9.943 351 HG3 GLU 47 2HG GLU 47 13.286 13.909 10.345 352 H GLY 48 H GLY 48 9.895 14.708 8.890 353 HA2 GLY 48 1HA GLY 48 8.269 16.326 8.679 354 HA3 GLY 48 2HA GLY 48 9.564 17.254 7.937 355 H SER 49 H SER 49 8.182 14.300 6.617 356 HA SER 49 HA SER 49 7.310 15.850 4.280 357 HB2 SER 49 1HB SER 49 7.778 14.026 2.949 358 HB3 SER 49 2HB SER 49 8.956 13.771 4.236 359 HG SER 49 HG SER 49 7.885 12.068 4.890 360 HA PRO 50 HA PRO 50 3.054 15.078 5.020 361 HB2 PRO 50 1HB PRO 50 2.110 14.815 2.488 362 HB3 PRO 50 2HB PRO 50 2.618 16.365 3.167 363 HG2 PRO 50 1HG PRO 50 4.116 14.505 1.361 364 HG3 PRO 50 2HG PRO 50 3.992 16.273 1.293 365 HD2 PRO 50 1HD PRO 50 6.146 15.003 2.331 366 HD3 PRO 50 2HD PRO 50 5.581 16.573 2.935 367 H ALA 51 H ALA 51 5.012 12.747 3.440 368 HA ALA 51 HA ALA 51 2.990 10.736 3.122 369 HB1 ALA 51 3HB ALA 51 5.854 9.981 3.265 370 HB2 ALA 51 1HB ALA 51 4.599 9.466 2.137 371 HB3 ALA 51 2HB ALA 51 5.353 11.051 1.956 372 H GLU 52 H GLU 52 5.615 11.323 5.443 373 HA GLU 52 HA GLU 52 4.970 9.033 7.036 374 HB2 GLU 52 1HB GLU 52 7.242 10.189 6.849 375 HB3 GLU 52 2HB GLU 52 6.589 11.411 7.931 376 HG2 GLU 52 1HG GLU 52 6.000 9.284 9.387 377 HG3 GLU 52 2HG GLU 52 7.345 8.598 8.476 378 H LYS 53 H LYS 53 4.387 12.515 7.293 379 HA LYS 53 HA LYS 53 3.334 12.781 9.781 380 HB2 LYS 53 1HB LYS 53 2.717 14.058 7.166 381 HB3 LYS 53 2HB LYS 53 1.596 14.349 8.489 382 HG2 LYS 53 1HG LYS 53 3.818 14.899 9.796 383 HG3 LYS 53 2HG LYS 53 4.419 15.211 8.165 384 HD2 LYS 53 1HD LYS 53 1.811 16.388 9.023 385 HD3 LYS 53 2HD LYS 53 3.318 17.132 9.561 386 HE2 LYS 53 1HE LYS 53 2.690 16.534 6.676 387 HE3 LYS 53 2HE LYS 53 2.338 18.080 7.447 388 HZ1 LYS 53 3HZ LYS 53 4.429 18.212 6.312 389 HZ2 LYS 53 1HZ LYS 53 5.015 16.840 7.111 390 HZ3 LYS 53 2HZ LYS 53 4.722 18.263 7.978 391 H ALA 54 H ALA 54 2.000 10.970 7.165 392 HA ALA 54 HA ALA 54 -0.609 10.733 8.446 393 HB1 ALA 54 3HB ALA 54 -0.061 9.062 6.098 394 HB2 ALA 54 1HB ALA 54 -1.415 10.140 6.437 395 HB3 ALA 54 2HB ALA 54 0.104 10.797 5.826 396 H GLY 55 H GLY 55 1.706 9.678 9.820 397 HA2 GLY 55 1HA GLY 55 2.270 7.816 11.038 398 HA3 GLY 55 2HA GLY 55 0.684 7.183 10.623 399 H LEU 56 H LEU 56 2.900 8.032 8.098 400 HA LEU 56 HA LEU 56 3.018 5.237 7.291 401 HB2 LEU 56 1HB LEU 56 2.475 7.208 5.752 402 HB3 LEU 56 2HB LEU 56 4.199 7.567 5.811 403 HG LEU 56 HG LEU 56 4.596 5.241 4.918 404 HD11 LEU 56 1HD1 LEU 56 2.000 5.031 3.682 405 HD12 LEU 56 2HD1 LEU 56 1.876 4.953 5.439 406 HD13 LEU 56 3HD1 LEU 56 2.922 3.824 4.579 407 HD21 LEU 56 3HD2 LEU 56 4.296 5.904 2.668 408 HD22 LEU 56 1HD2 LEU 56 4.593 7.384 3.580 409 HD23 LEU 56 2HD2 LEU 56 2.952 6.970 3.083 410 H LEU 57 H LEU 57 4.642 4.003 7.939 411 HA LEU 57 HA LEU 57 7.256 5.262 8.449 412 HB2 LEU 57 1HB LEU 57 7.520 2.943 9.719 413 HB3 LEU 57 2HB LEU 57 6.823 4.372 10.480 414 HG LEU 57 HG LEU 57 5.112 2.278 9.167 415 HD11 LEU 57 1HD1 LEU 57 5.054 2.036 11.993 416 HD12 LEU 57 2HD1 LEU 57 6.732 1.917 11.465 417 HD13 LEU 57 3HD1 LEU 57 5.518 0.830 10.792 418 HD21 LEU 57 3HD2 LEU 57 3.364 3.409 10.014 419 HD22 LEU 57 1HD2 LEU 57 4.498 4.760 10.062 420 HD23 LEU 57 2HD2 LEU 57 4.209 3.800 11.513 421 H ASP 58 H ASP 58 9.121 3.671 8.182 422 HA ASP 58 HA ASP 58 9.104 2.731 5.489 423 HB2 ASP 58 1HB ASP 58 11.423 1.846 6.164 424 HB3 ASP 58 2HB ASP 58 11.169 3.589 6.215 425 H GLY 59 H GLY 59 9.045 0.673 4.690 426 HA2 GLY 59 1HA GLY 59 9.193 -1.702 4.894 427 HA3 GLY 59 2HA GLY 59 8.832 -1.544 6.607 428 H ASP 60 H ASP 60 6.609 0.292 6.179 429 HA ASP 60 HA ASP 60 4.470 -1.404 6.209 430 HB2 ASP 60 1HB ASP 60 4.744 1.484 5.469 431 HB3 ASP 60 2HB ASP 60 3.186 0.687 5.261 432 H ARG 61 H ARG 61 3.427 -2.628 4.780 433 HA ARG 61 HA ARG 61 4.150 -2.390 1.955 434 HB2 ARG 61 1HB ARG 61 3.005 -4.586 3.644 435 HB3 ARG 61 2HB ARG 61 2.807 -4.629 1.897 436 HG2 ARG 61 1HG ARG 61 4.714 -5.888 2.240 437 HG3 ARG 61 2HG ARG 61 5.362 -4.300 1.823 438 HD2 ARG 61 1HD ARG 61 6.620 -4.702 3.669 439 HD3 ARG 61 2HD ARG 61 5.215 -3.991 4.461 440 HE ARG 61 HE ARG 61 4.693 -6.053 5.345 441 HH11 ARG 61 1HH1 ARG 61 7.208 -6.382 2.960 442 HH12 ARG 61 2HH1 ARG 61 7.568 -8.025 3.376 443 HH21 ARG 61 1HH2 ARG 61 5.157 -8.216 5.902 444 HH22 ARG 61 2HH2 ARG 61 6.400 -9.067 5.049 445 H VAL 62 H VAL 62 2.807 -1.538 0.513 446 HA VAL 62 HA VAL 62 0.130 -0.771 1.332 447 HB VAL 62 HB VAL 62 1.188 0.959 0.174 448 HG11 VAL 62 1HG1 VAL 62 2.031 0.290 -2.287 449 HG12 VAL 62 2HG1 VAL 62 3.071 0.256 -0.862 450 HG13 VAL 62 3HG1 VAL 62 2.325 -1.232 -1.447 451 HG21 VAL 62 3HG2 VAL 62 -1.099 -0.162 -0.864 452 HG22 VAL 62 1HG2 VAL 62 -0.461 1.434 -1.259 453 HG23 VAL 62 2HG2 VAL 62 -0.083 0.054 -2.289 454 H LEU 63 H LEU 63 -1.543 -2.075 1.040 455 HA LEU 63 HA LEU 63 -1.398 -4.330 -0.746 456 HB2 LEU 63 1HB LEU 63 -3.729 -3.323 0.878 457 HB3 LEU 63 2HB LEU 63 -3.591 -4.905 0.112 458 HG LEU 63 HG LEU 63 -1.622 -4.056 2.204 459 HD11 LEU 63 1HD1 LEU 63 -4.454 -4.911 2.594 460 HD12 LEU 63 2HD1 LEU 63 -3.510 -3.709 3.472 461 HD13 LEU 63 3HD1 LEU 63 -3.217 -5.427 3.742 462 HD21 LEU 63 3HD2 LEU 63 -2.694 -6.702 1.236 463 HD22 LEU 63 1HD2 LEU 63 -1.585 -6.508 2.594 464 HD23 LEU 63 2HD2 LEU 63 -1.079 -6.043 0.969 465 H ARG 64 H ARG 64 -3.327 -1.356 -0.537 466 HA ARG 64 HA ARG 64 -3.951 -1.671 -3.396 467 HB2 ARG 64 1HB ARG 64 -5.807 -0.642 -1.242 468 HB3 ARG 64 2HB ARG 64 -6.156 -0.637 -2.966 469 HG2 ARG 64 1HG ARG 64 -5.639 -3.221 -2.699 470 HG3 ARG 64 2HG ARG 64 -6.131 -2.886 -1.038 471 HD2 ARG 64 1HD ARG 64 -8.275 -2.238 -1.674 472 HD3 ARG 64 2HD ARG 64 -7.794 -1.953 -3.346 473 HE ARG 64 HE ARG 64 -7.518 -4.693 -2.576 474 HH11 ARG 64 1HH1 ARG 64 -9.779 -2.279 -3.664 475 HH12 ARG 64 2HH1 ARG 64 -10.864 -3.428 -4.373 476 HH21 ARG 64 1HH2 ARG 64 -8.940 -6.215 -3.506 477 HH22 ARG 64 2HH2 ARG 64 -10.387 -5.666 -4.282 478 H ILE 65 H ILE 65 -3.940 0.188 -4.636 479 HA ILE 65 HA ILE 65 -2.970 2.620 -3.281 480 HB ILE 65 HB ILE 65 -1.361 1.309 -4.851 481 HG12 ILE 65 1HG1 ILE 65 -0.744 3.442 -3.959 482 HG13 ILE 65 2HG1 ILE 65 -0.427 3.498 -5.689 483 HG21 ILE 65 1HG2 ILE 65 -3.115 1.169 -6.658 484 HG22 ILE 65 2HG2 ILE 65 -2.847 2.889 -6.935 485 HG23 ILE 65 3HG2 ILE 65 -1.529 1.742 -7.174 486 HD11 ILE 65 3HD1 ILE 65 -2.589 4.842 -4.125 487 HD12 ILE 65 1HD1 ILE 65 -1.418 5.541 -5.242 488 HD13 ILE 65 2HD1 ILE 65 -2.755 4.571 -5.859 489 H ASN 66 H ASN 66 -4.286 4.303 -3.439 490 HA ASN 66 HA ASN 66 -6.031 5.626 -4.069 491 HB2 ASN 66 1HB ASN 66 -4.266 5.876 -5.956 492 HB3 ASN 66 2HB ASN 66 -5.390 4.922 -6.920 493 HD21 ASN 66 1HD2 ASN 66 -4.895 7.928 -5.232 494 HD22 ASN 66 2HD2 ASN 66 -6.185 8.793 -5.988 495 H GLY 67 H GLY 67 -6.563 2.751 -3.687 496 HA2 GLY 67 1HA GLY 67 -8.596 1.605 -3.669 497 HA3 GLY 67 2HA GLY 67 -9.217 2.739 -4.860 498 H VAL 68 H VAL 68 -6.259 0.820 -5.085 499 HA VAL 68 HA VAL 68 -7.507 -0.932 -7.061 500 HB VAL 68 HB VAL 68 -5.022 0.679 -7.666 501 HG11 VAL 68 1HG1 VAL 68 -5.998 -0.557 -9.978 502 HG12 VAL 68 2HG1 VAL 68 -4.523 -0.952 -9.093 503 HG13 VAL 68 3HG1 VAL 68 -6.026 -1.800 -8.727 504 HG21 VAL 68 3HG2 VAL 68 -6.579 1.448 -9.596 505 HG22 VAL 68 1HG2 VAL 68 -7.878 0.924 -8.523 506 HG23 VAL 68 2HG2 VAL 68 -6.755 2.180 -8.001 507 H PHE 69 H PHE 69 -6.895 -2.962 -6.729 508 HA PHE 69 HA PHE 69 -5.010 -3.671 -4.753 509 HB2 PHE 69 1HB PHE 69 -7.009 -5.032 -5.577 510 HB3 PHE 69 2HB PHE 69 -5.993 -5.507 -6.933 511 HD1 PHE 69 2HD PHE 69 -5.608 -5.240 -3.227 512 HD2 PHE 69 1HD PHE 69 -5.072 -7.588 -6.736 513 HE1 PHE 69 2HE PHE 69 -4.647 -7.049 -1.865 514 HE2 PHE 69 1HE PHE 69 -4.110 -9.401 -5.379 515 HZ PHE 69 HZ PHE 69 -3.895 -9.133 -2.941 516 H VAL 70 H VAL 70 -2.901 -3.294 -4.966 517 HA VAL 70 HA VAL 70 -1.616 -3.970 -7.533 518 HB VAL 70 HB VAL 70 0.160 -2.357 -6.934 519 HG11 VAL 70 1HG1 VAL 70 -2.598 -1.137 -6.955 520 HG12 VAL 70 2HG1 VAL 70 -1.097 -0.348 -7.442 521 HG13 VAL 70 3HG1 VAL 70 -1.725 -1.705 -8.378 522 HG21 VAL 70 3HG2 VAL 70 -1.426 -2.205 -4.462 523 HG22 VAL 70 1HG2 VAL 70 0.296 -1.930 -4.728 524 HG23 VAL 70 2HG2 VAL 70 -0.868 -0.657 -5.096 525 H ASP 71 H ASP 71 -2.028 -6.014 -5.790 526 HA ASP 71 HA ASP 71 0.264 -6.374 -4.075 527 HB2 ASP 71 1HB ASP 71 -1.657 -7.417 -3.236 528 HB3 ASP 71 2HB ASP 71 -2.107 -8.064 -4.812 529 H LYS 72 H LYS 72 -0.784 -7.438 -7.253 530 HA LYS 72 HA LYS 72 1.790 -8.832 -7.590 531 HB2 LYS 72 1HB LYS 72 -0.946 -9.354 -8.681 532 HB3 LYS 72 2HB LYS 72 0.456 -9.839 -9.626 533 HG2 LYS 72 1HG LYS 72 0.024 -10.668 -6.768 534 HG3 LYS 72 2HG LYS 72 -0.524 -11.614 -8.155 535 HD2 LYS 72 1HD LYS 72 2.331 -10.733 -7.962 536 HD3 LYS 72 2HD LYS 72 1.775 -12.148 -7.065 537 HE2 LYS 72 1HE LYS 72 0.978 -13.152 -9.151 538 HE3 LYS 72 2HE LYS 72 1.535 -11.738 -10.045 539 HZ1 LYS 72 3HZ LYS 72 3.259 -13.224 -10.305 540 HZ2 LYS 72 1HZ LYS 72 3.125 -13.843 -8.735 541 HZ3 LYS 72 2HZ LYS 72 3.796 -12.311 -8.986 542 H GLU 73 H GLU 73 -0.218 -6.265 -8.681 543 HA GLU 73 HA GLU 73 0.497 -5.821 -11.276 544 HB2 GLU 73 1HB GLU 73 0.047 -3.903 -9.006 545 HB3 GLU 73 2HB GLU 73 0.431 -3.322 -10.620 546 HG2 GLU 73 1HG GLU 73 -1.807 -5.254 -10.245 547 HG3 GLU 73 2HG GLU 73 -2.044 -3.551 -9.857 548 H GLU 74 H GLU 74 2.043 -4.168 -12.154 549 HA GLU 74 HA GLU 74 4.698 -4.711 -11.059 550 HB2 GLU 74 1HB GLU 74 3.673 -3.819 -13.731 551 HB3 GLU 74 2HB GLU 74 5.352 -3.532 -13.299 552 HG2 GLU 74 1HG GLU 74 5.476 -5.539 -14.407 553 HG3 GLU 74 2HG GLU 74 5.379 -6.056 -12.725 554 H HIS 75 H HIS 75 6.253 -3.042 -10.769 555 HA HIS 75 HA HIS 75 5.405 -0.837 -9.337 556 HB2 HIS 75 1HB HIS 75 7.680 -1.609 -9.161 557 HB3 HIS 75 2HB HIS 75 7.980 -1.263 -10.861 558 HD1 HIS 75 1HD HIS 75 7.004 0.684 -7.737 559 HD2 HIS 75 2HD HIS 75 9.188 1.122 -11.245 560 HE1 HIS 75 1HE HIS 75 8.063 2.961 -7.591 561 HE2 HIS 75 2HE HIS 75 9.309 3.237 -9.762 562 H ALA 76 H ALA 76 6.315 -1.014 -12.763 563 HA ALA 76 HA ALA 76 6.007 1.716 -13.348 564 HB1 ALA 76 3HB ALA 76 7.052 -0.210 -14.746 565 HB2 ALA 76 1HB ALA 76 5.418 -0.389 -15.385 566 HB3 ALA 76 2HB ALA 76 6.273 1.142 -15.569 567 H GLN 77 H GLN 77 3.693 -0.766 -12.797 568 HA GLN 77 HA GLN 77 1.540 0.613 -14.161 569 HB2 GLN 77 1HB GLN 77 1.809 -1.964 -12.671 570 HB3 GLN 77 2HB GLN 77 0.208 -1.268 -12.882 571 HG2 GLN 77 1HG GLN 77 2.053 -1.697 -15.203 572 HG3 GLN 77 2HG GLN 77 1.006 -2.979 -14.595 573 HE21 GLN 77 1HE2 GLN 77 -1.241 -2.743 -14.765 574 HE22 GLN 77 2HE2 GLN 77 -1.952 -1.632 -15.880 575 H VAL 78 H VAL 78 2.640 0.041 -10.862 576 HA VAL 78 HA VAL 78 0.388 1.257 -9.605 577 HB VAL 78 HB VAL 78 3.162 0.815 -8.490 578 HG11 VAL 78 1HG1 VAL 78 0.820 2.093 -7.423 579 HG12 VAL 78 2HG1 VAL 78 1.219 0.657 -6.478 580 HG13 VAL 78 3HG1 VAL 78 2.425 1.923 -6.711 581 HG21 VAL 78 3HG2 VAL 78 0.716 -0.929 -8.219 582 HG22 VAL 78 1HG2 VAL 78 2.053 -1.245 -9.325 583 HG23 VAL 78 2HG2 VAL 78 2.329 -1.252 -7.583 584 H VAL 79 H VAL 79 3.760 2.356 -10.008 585 HA VAL 79 HA VAL 79 3.734 4.821 -8.949 586 HB VAL 79 HB VAL 79 5.664 3.879 -10.161 587 HG11 VAL 79 1HG1 VAL 79 4.492 4.913 -12.716 588 HG12 VAL 79 2HG1 VAL 79 5.834 3.792 -12.479 589 HG13 VAL 79 3HG1 VAL 79 4.179 3.263 -12.178 590 HG21 VAL 79 3HG2 VAL 79 6.224 6.025 -9.748 591 HG22 VAL 79 1HG2 VAL 79 6.068 6.190 -11.497 592 HG23 VAL 79 2HG2 VAL 79 4.733 6.659 -10.444 593 H GLU 80 H GLU 80 2.424 4.026 -12.154 594 HA GLU 80 HA GLU 80 1.645 6.621 -12.873 595 HB2 GLU 80 1HB GLU 80 1.603 5.163 -14.660 596 HB3 GLU 80 2HB GLU 80 0.858 3.872 -13.726 597 HG2 GLU 80 1HG GLU 80 -1.259 4.662 -14.053 598 HG3 GLU 80 2HG GLU 80 -0.725 6.330 -14.251 599 H LEU 81 H LEU 81 -0.191 4.022 -11.291 600 HA LEU 81 HA LEU 81 -2.657 5.245 -11.099 601 HB2 LEU 81 1HB LEU 81 -1.249 3.382 -9.203 602 HB3 LEU 81 2HB LEU 81 -2.925 3.883 -8.984 603 HG LEU 81 HG LEU 81 -2.123 2.624 -11.567 604 HD11 LEU 81 1HD1 LEU 81 -1.572 1.374 -9.142 605 HD12 LEU 81 2HD1 LEU 81 -1.690 0.615 -10.729 606 HD13 LEU 81 3HD1 LEU 81 -3.103 0.680 -9.676 607 HD21 LEU 81 3HD2 LEU 81 -4.337 2.331 -11.845 608 HD22 LEU 81 1HD2 LEU 81 -4.460 3.612 -10.639 609 HD23 LEU 81 2HD2 LEU 81 -4.605 1.924 -10.149 610 H VAL 82 H VAL 82 0.175 5.640 -9.031 611 HA VAL 82 HA VAL 82 -1.101 7.270 -7.084 612 HB VAL 82 HB VAL 82 1.840 7.183 -7.766 613 HG11 VAL 82 1HG1 VAL 82 1.987 8.776 -6.219 614 HG12 VAL 82 2HG1 VAL 82 0.282 8.611 -5.793 615 HG13 VAL 82 3HG1 VAL 82 1.487 7.568 -5.036 616 HG21 VAL 82 3HG2 VAL 82 0.878 5.656 -5.455 617 HG22 VAL 82 1HG2 VAL 82 0.345 5.034 -7.017 618 HG23 VAL 82 2HG2 VAL 82 2.066 5.226 -6.686 619 H ARG 83 H ARG 83 0.031 7.867 -10.252 620 HA ARG 83 HA ARG 83 0.394 10.719 -9.847 621 HB2 ARG 83 1HB ARG 83 0.481 9.046 -12.365 622 HB3 ARG 83 2HB ARG 83 0.873 10.758 -12.275 623 HG2 ARG 83 1HG ARG 83 2.329 8.601 -10.762 624 HG3 ARG 83 2HG ARG 83 2.852 9.270 -12.310 625 HD2 ARG 83 1HD ARG 83 2.493 10.800 -9.735 626 HD3 ARG 83 2HD ARG 83 4.031 10.328 -10.458 627 HE ARG 83 HE ARG 83 2.327 12.514 -11.259 628 HH11 ARG 83 1HH1 ARG 83 4.899 10.358 -12.186 629 HH12 ARG 83 2HH1 ARG 83 5.519 11.414 -13.412 630 HH21 ARG 83 1HH2 ARG 83 3.134 13.914 -12.870 631 HH22 ARG 83 2HH2 ARG 83 4.515 13.437 -13.799 632 H LYS 84 H LYS 84 -1.786 8.597 -11.694 633 HA LYS 84 HA LYS 84 -3.461 10.628 -12.674 634 HB2 LYS 84 1HB LYS 84 -4.856 8.930 -13.432 635 HB3 LYS 84 2HB LYS 84 -3.296 8.123 -13.335 636 HG2 LYS 84 1HG LYS 84 -3.895 7.022 -11.319 637 HG3 LYS 84 2HG LYS 84 -5.351 8.006 -11.142 638 HD2 LYS 84 1HD LYS 84 -6.003 6.994 -13.443 639 HD3 LYS 84 2HD LYS 84 -4.795 5.768 -13.053 640 HE2 LYS 84 1HE LYS 84 -5.987 5.382 -10.898 641 HE3 LYS 84 2HE LYS 84 -7.245 6.488 -11.449 642 HZ1 LYS 84 3HZ LYS 84 -7.034 4.772 -13.514 643 HZ2 LYS 84 1HZ LYS 84 -8.179 4.652 -12.274 644 HZ3 LYS 84 2HZ LYS 84 -6.751 3.750 -12.196 645 H SER 85 H SER 85 -3.203 9.189 -9.560 646 HA SER 85 HA SER 85 -5.638 9.284 -8.409 647 HB2 SER 85 1HB SER 85 -4.522 10.044 -6.309 648 HB3 SER 85 2HB SER 85 -3.661 8.735 -7.118 649 HG SER 85 HG SER 85 -2.793 11.200 -6.506 650 H GLY 86 H GLY 86 -3.518 12.149 -8.654 651 HA2 GLY 86 1HA GLY 86 -4.647 14.179 -9.582 652 HA3 GLY 86 2HA GLY 86 -5.954 13.813 -8.466 653 H ASN 87 H ASN 87 -5.790 14.404 -6.338 654 HA ASN 87 HA ASN 87 -3.467 16.084 -5.678 655 HB2 ASN 87 1HB ASN 87 -6.187 16.136 -4.360 656 HB3 ASN 87 2HB ASN 87 -4.892 17.317 -4.186 657 HD21 ASN 87 1HD2 ASN 87 -4.157 18.226 -6.386 658 HD22 ASN 87 2HD2 ASN 87 -5.432 18.731 -7.437 659 H SER 88 H SER 88 -5.729 13.734 -4.270 660 HA SER 88 HA SER 88 -3.673 13.095 -2.257 661 HB2 SER 88 1HB SER 88 -5.515 12.365 -0.782 662 HB3 SER 88 2HB SER 88 -5.672 14.064 -1.227 663 HG SER 88 HG SER 88 -7.008 12.946 -3.057 664 H VAL 89 H VAL 89 -3.778 10.821 -1.454 665 HA VAL 89 HA VAL 89 -4.815 8.906 -3.406 666 HB VAL 89 HB VAL 89 -1.979 8.638 -2.445 667 HG11 VAL 89 1HG1 VAL 89 -3.631 6.852 -3.637 668 HG12 VAL 89 2HG1 VAL 89 -2.838 7.566 -5.043 669 HG13 VAL 89 3HG1 VAL 89 -1.873 6.822 -3.768 670 HG21 VAL 89 3HG2 VAL 89 -2.426 10.793 -3.768 671 HG22 VAL 89 1HG2 VAL 89 -1.128 9.736 -4.323 672 HG23 VAL 89 2HG2 VAL 89 -2.685 9.728 -5.150 673 H THR 90 H THR 90 -5.617 7.120 -2.480 674 HA THR 90 HA THR 90 -5.398 6.869 0.416 675 HB THR 90 HB THR 90 -7.174 5.426 -1.561 676 HG1 THR 90 1HG THR 90 -7.528 7.751 -0.998 677 HG21 THR 90 3HG2 THR 90 -6.492 4.211 0.619 678 HG22 THR 90 1HG2 THR 90 -8.203 4.310 0.208 679 HG23 THR 90 2HG2 THR 90 -7.524 5.398 1.418 680 H LEU 91 H LEU 91 -3.998 5.525 1.324 681 HA LEU 91 HA LEU 91 -3.130 3.155 -0.196 682 HB2 LEU 91 1HB LEU 91 -1.422 4.551 1.836 683 HB3 LEU 91 2HB LEU 91 -0.938 3.379 0.611 684 HG LEU 91 HG LEU 91 -1.942 6.118 -0.112 685 HD11 LEU 91 1HD1 LEU 91 0.105 7.069 0.136 686 HD12 LEU 91 2HD1 LEU 91 0.966 5.547 -0.084 687 HD13 LEU 91 3HD1 LEU 91 0.188 5.904 1.458 688 HD21 LEU 91 3HD2 LEU 91 -0.052 5.213 -1.929 689 HD22 LEU 91 1HD2 LEU 91 -1.802 5.228 -2.147 690 HD23 LEU 91 2HD2 LEU 91 -1.002 3.780 -1.535 691 H LEU 92 H LEU 92 -2.958 1.227 0.895 692 HA LEU 92 HA LEU 92 -3.945 1.230 3.672 693 HB2 LEU 92 1HB LEU 92 -4.427 -0.700 1.420 694 HB3 LEU 92 2HB LEU 92 -4.730 -1.122 3.104 695 HG LEU 92 HG LEU 92 -6.057 1.197 1.711 696 HD11 LEU 92 1HD1 LEU 92 -6.868 -1.683 1.926 697 HD12 LEU 92 2HD1 LEU 92 -6.832 -0.645 0.501 698 HD13 LEU 92 3HD1 LEU 92 -8.058 -0.393 1.743 699 HD21 LEU 92 3HD2 LEU 92 -5.880 1.111 4.244 700 HD22 LEU 92 1HD2 LEU 92 -6.939 -0.297 4.166 701 HD23 LEU 92 2HD2 LEU 92 -7.502 1.264 3.568 702 H VAL 93 H VAL 93 -2.277 0.871 4.984 703 HA VAL 93 HA VAL 93 -0.247 -1.104 4.179 704 HB VAL 93 HB VAL 93 1.193 -0.046 5.922 705 HG11 VAL 93 1HG1 VAL 93 1.715 1.962 4.603 706 HG12 VAL 93 2HG1 VAL 93 1.454 0.546 3.582 707 HG13 VAL 93 3HG1 VAL 93 0.193 1.771 3.732 708 HG21 VAL 93 3HG2 VAL 93 0.485 1.586 7.283 709 HG22 VAL 93 1HG2 VAL 93 -0.353 2.430 5.981 710 HG23 VAL 93 2HG2 VAL 93 -1.139 1.087 6.811 711 H LEU 94 H LEU 94 0.199 -2.835 5.456 712 HA LEU 94 HA LEU 94 -1.426 -3.138 7.895 713 HB2 LEU 94 1HB LEU 94 -2.109 -4.599 6.015 714 HB3 LEU 94 2HB LEU 94 -0.498 -5.313 6.025 715 HG LEU 94 HG LEU 94 -0.969 -6.054 8.391 716 HD11 LEU 94 1HD1 LEU 94 -2.923 -4.378 8.554 717 HD12 LEU 94 2HD1 LEU 94 -3.105 -5.969 9.290 718 HD13 LEU 94 3HD1 LEU 94 -3.857 -5.628 7.732 719 HD21 LEU 94 3HD2 LEU 94 -1.262 -7.376 6.163 720 HD22 LEU 94 1HD2 LEU 94 -2.981 -7.256 6.540 721 HD23 LEU 94 2HD2 LEU 94 -1.883 -8.044 7.674 722 H ASP 95 H ASP 95 -0.504 -4.605 9.529 723 HA ASP 95 HA ASP 95 2.212 -3.921 10.072 724 HB2 ASP 95 1HB ASP 95 0.255 -5.756 11.459 725 HB3 ASP 95 2HB ASP 95 1.886 -5.463 12.055 726 H GLY 96 H GLY 96 4.008 -4.960 9.506 727 HA2 GLY 96 1HA GLY 96 4.343 -6.897 7.704 728 HA3 GLY 96 2HA GLY 96 5.418 -6.765 9.087 729 H ASP 97 H ASP 97 4.687 -7.907 11.089 730 HA ASP 97 HA ASP 97 4.527 -10.578 10.833 731 HB2 ASP 97 1HB ASP 97 3.515 -8.731 12.950 732 HB3 ASP 97 2HB ASP 97 3.105 -10.440 13.065 733 H SER 98 H SER 98 1.675 -8.467 11.130 734 HA SER 98 HA SER 98 -0.275 -10.447 10.918 735 HB2 SER 98 1HB SER 98 -0.424 -7.846 11.399 736 HB3 SER 98 2HB SER 98 -0.769 -7.775 9.671 737 HG SER 98 HG SER 98 -2.359 -8.582 11.713 738 H TYR 99 H TYR 99 1.397 -8.611 8.402 739 HA TYR 99 HA TYR 99 -0.082 -9.439 6.194 740 HB2 TYR 99 1HB TYR 99 1.784 -7.685 6.318 741 HB3 TYR 99 2HB TYR 99 2.903 -9.029 6.121 742 HD1 TYR 99 2HD TYR 99 2.377 -10.606 4.067 743 HD2 TYR 99 1HD TYR 99 1.033 -6.585 4.429 744 HE1 TYR 99 2HE TYR 99 2.096 -10.486 1.626 745 HE2 TYR 99 1HE TYR 99 0.747 -6.455 1.990 746 HH TYR 99 HH TYR 99 0.711 -9.133 -0.002 747 H GLU 100 H GLU 100 3.088 -10.760 7.172 748 HA GLU 100 HA GLU 100 3.194 -12.929 5.511 749 HB2 GLU 100 1HB GLU 100 4.097 -12.894 8.396 750 HB3 GLU 100 2HB GLU 100 4.673 -13.985 7.144 751 HG2 GLU 100 1HG GLU 100 5.684 -12.162 5.948 752 HG3 GLU 100 2HG GLU 100 4.998 -10.995 7.077 753 H LYS 101 H LYS 101 1.625 -12.768 8.689 754 HA LYS 101 HA LYS 101 0.841 -15.405 8.959 755 HB2 LYS 101 1HB LYS 101 0.578 -13.586 10.666 756 HB3 LYS 101 2HB LYS 101 -0.812 -13.004 9.759 757 HG2 LYS 101 1HG LYS 101 -2.017 -15.027 10.181 758 HG3 LYS 101 2HG LYS 101 -0.596 -15.775 10.912 759 HD2 LYS 101 1HD LYS 101 -1.840 -13.261 12.000 760 HD3 LYS 101 2HD LYS 101 -2.360 -14.870 12.504 761 HE2 LYS 101 1HE LYS 101 0.193 -15.240 12.926 762 HE3 LYS 101 2HE LYS 101 0.242 -13.479 12.971 763 HZ1 LYS 101 3HZ LYS 101 -0.158 -14.816 15.137 764 HZ2 LYS 101 1HZ LYS 101 -1.755 -14.910 14.585 765 HZ3 LYS 101 2HZ LYS 101 -1.042 -13.401 14.855 766 H ALA 102 H ALA 102 -1.058 -12.751 7.518 767 HA ALA 102 HA ALA 102 -3.282 -14.169 6.729 768 HB1 ALA 102 3HB ALA 102 -3.609 -11.967 6.326 769 HB2 ALA 102 1HB ALA 102 -1.948 -11.703 5.792 770 HB3 ALA 102 2HB ALA 102 -3.122 -12.434 4.697 771 H VAL 103 H VAL 103 -0.577 -13.365 4.540 772 HA VAL 103 HA VAL 103 -1.229 -14.863 2.373 773 HB VAL 103 HB VAL 103 1.549 -14.583 3.527 774 HG11 VAL 103 1HG1 VAL 103 0.814 -16.265 1.521 775 HG12 VAL 103 2HG1 VAL 103 1.210 -14.799 0.622 776 HG13 VAL 103 3HG1 VAL 103 2.411 -15.534 1.686 777 HG21 VAL 103 3HG2 VAL 103 0.446 -12.435 3.161 778 HG22 VAL 103 1HG2 VAL 103 1.754 -12.680 2.004 779 HG23 VAL 103 2HG2 VAL 103 0.078 -12.899 1.500 780 H LYS 104 H LYS 104 0.632 -16.048 5.169 781 HA LYS 104 HA LYS 104 1.038 -18.656 4.353 782 HB2 LYS 104 1HB LYS 104 0.592 -17.504 7.104 783 HB3 LYS 104 2HB LYS 104 1.014 -19.191 6.843 784 HG2 LYS 104 1HG LYS 104 2.711 -17.041 5.659 785 HG3 LYS 104 2HG LYS 104 2.867 -17.452 7.369 786 HD2 LYS 104 1HD LYS 104 3.249 -19.810 6.729 787 HD3 LYS 104 2HD LYS 104 3.181 -19.335 5.030 788 HE2 LYS 104 1HE LYS 104 5.074 -17.759 5.493 789 HE3 LYS 104 2HE LYS 104 5.200 -18.478 7.097 790 HZ1 LYS 104 3HZ LYS 104 6.766 -19.480 5.562 791 HZ2 LYS 104 1HZ LYS 104 5.508 -19.925 4.522 792 HZ3 LYS 104 2HZ LYS 104 5.621 -20.622 6.059 793 H ASN 105 H ASN 105 -1.760 -17.292 6.055 794 HA ASN 105 HA ASN 105 -3.152 -19.825 6.030 795 HB2 ASN 105 1HB ASN 105 -4.177 -17.085 6.804 796 HB3 ASN 105 2HB ASN 105 -4.949 -18.628 7.157 797 HD21 ASN 105 1HD2 ASN 105 -3.885 -16.437 8.878 798 HD22 ASN 105 2HD2 ASN 105 -2.823 -17.226 9.989 799 H GLN 106 H GLN 106 -2.391 -18.177 3.539 800 HA GLN 106 HA GLN 106 -3.324 -17.510 1.553 801 HB2 GLN 106 1HB GLN 106 -4.761 -20.055 2.264 802 HB3 GLN 106 2HB GLN 106 -5.052 -19.235 0.736 803 HG2 GLN 106 1HG GLN 106 -2.595 -19.381 0.291 804 HG3 GLN 106 2HG GLN 106 -2.463 -20.400 1.724 805 HE21 GLN 106 1HE2 GLN 106 -2.979 -22.507 1.587 806 HE22 GLN 106 2HE2 GLN 106 -3.552 -23.284 0.155 807 H VAL 107 H VAL 107 -4.380 -16.017 3.642 808 HA VAL 107 HA VAL 107 -7.265 -15.944 3.339 809 HB VAL 107 HB VAL 107 -5.425 -14.137 4.913 810 HG11 VAL 107 1HG1 VAL 107 -8.400 -14.393 5.239 811 HG12 VAL 107 2HG1 VAL 107 -7.323 -13.156 5.889 812 HG13 VAL 107 3HG1 VAL 107 -7.674 -13.201 4.161 813 HG21 VAL 107 3HG2 VAL 107 -7.293 -16.025 6.225 814 HG22 VAL 107 1HG2 VAL 107 -5.859 -16.712 5.461 815 HG23 VAL 107 2HG2 VAL 107 -5.687 -15.489 6.720 816 H ASP 108 H ASP 108 -8.217 -14.881 1.745 817 HA ASP 108 HA ASP 108 -7.121 -13.448 -0.261 818 HB2 ASP 108 1HB ASP 108 -9.800 -12.971 1.057 819 HB3 ASP 108 2HB ASP 108 -9.329 -12.271 -0.489 820 H LEU 109 H LEU 109 -6.108 -11.567 -0.518 821 HA LEU 109 HA LEU 109 -6.042 -9.708 1.747 822 HB2 LEU 109 1HB LEU 109 -4.233 -10.046 -0.636 823 HB3 LEU 109 2HB LEU 109 -4.074 -8.738 0.535 824 HG LEU 109 HG LEU 109 -3.843 -11.667 1.216 825 HD11 LEU 109 1HD1 LEU 109 -2.039 -10.182 -0.247 826 HD12 LEU 109 2HD1 LEU 109 -1.685 -11.645 0.670 827 HD13 LEU 109 3HD1 LEU 109 -1.432 -10.062 1.404 828 HD21 LEU 109 3HD2 LEU 109 -3.024 -10.923 3.330 829 HD22 LEU 109 1HD2 LEU 109 -4.552 -10.095 3.028 830 HD23 LEU 109 2HD2 LEU 109 -3.026 -9.239 2.803 831 H LYS 110 H LYS 110 -7.156 -10.030 -1.493 832 HA LYS 110 HA LYS 110 -7.281 -7.337 -2.272 833 HB2 LYS 110 1HB LYS 110 -8.942 -9.736 -3.034 834 HB3 LYS 110 2HB LYS 110 -9.175 -8.154 -3.766 835 HG2 LYS 110 1HG LYS 110 -7.024 -8.182 -4.742 836 HG3 LYS 110 2HG LYS 110 -6.527 -9.572 -3.775 837 HD2 LYS 110 1HD LYS 110 -6.983 -10.407 -5.941 838 HD3 LYS 110 2HD LYS 110 -8.359 -10.872 -4.939 839 HE2 LYS 110 1HE LYS 110 -9.670 -9.049 -5.822 840 HE3 LYS 110 2HE LYS 110 -8.283 -8.443 -6.726 841 HZ1 LYS 110 3HZ LYS 110 -8.521 -11.027 -7.546 842 HZ2 LYS 110 1HZ LYS 110 -9.057 -9.665 -8.396 843 HZ3 LYS 110 2HZ LYS 110 -10.130 -10.521 -7.407 844 H GLU 111 H GLU 111 -9.359 -9.278 -0.235 845 HA GLU 111 HA GLU 111 -11.606 -7.576 -0.209 846 HB2 GLU 111 1HB GLU 111 -10.621 -9.469 1.933 847 HB3 GLU 111 2HB GLU 111 -12.226 -8.754 1.865 848 HG2 GLU 111 1HG GLU 111 -11.124 -10.481 -0.329 849 HG3 GLU 111 2HG GLU 111 -12.013 -11.130 1.048 850 H LEU 112 H LEU 112 -8.805 -7.805 1.965 851 HA LEU 112 HA LEU 112 -9.311 -6.119 3.963 852 HB2 LEU 112 1HB LEU 112 -6.818 -5.699 2.344 853 HB3 LEU 112 2HB LEU 112 -7.029 -5.561 4.088 854 HG LEU 112 HG LEU 112 -7.003 -8.114 2.481 855 HD11 LEU 112 1HD1 LEU 112 -4.810 -8.077 2.788 856 HD12 LEU 112 2HD1 LEU 112 -5.067 -8.062 4.532 857 HD13 LEU 112 3HD1 LEU 112 -4.931 -6.542 3.648 858 HD21 LEU 112 3HD2 LEU 112 -7.474 -7.601 5.411 859 HD22 LEU 112 1HD2 LEU 112 -7.023 -9.176 4.757 860 HD23 LEU 112 2HD2 LEU 112 -8.540 -8.421 4.268 861 H ASP 113 H ASP 113 -10.497 -4.324 3.959 862 HA ASP 113 HA ASP 113 -9.726 -2.164 2.120 863 HB2 ASP 113 1HB ASP 113 -11.775 -3.164 1.243 864 HB3 ASP 113 2HB ASP 113 -12.556 -2.983 2.812 865 H GLN 114 H GLN 114 -8.625 -1.022 3.676 866 HA GLN 114 HA GLN 114 -8.250 0.116 5.643 867 HB2 GLN 114 1HB GLN 114 -9.645 2.047 5.833 868 HB3 GLN 114 2HB GLN 114 -9.502 1.670 4.122 869 HG2 GLN 114 1HG GLN 114 -11.687 1.073 3.922 870 HG3 GLN 114 2HG GLN 114 -11.809 0.538 5.598 871 HE21 GLN 114 1HE2 GLN 114 -13.868 1.787 5.298 872 HE22 GLN 114 2HE2 GLN 114 -13.829 3.469 5.690 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -28.279 -14.390 6.181 2 HA2 GLY 1 1HA GLY 1 -25.897 -14.084 5.660 3 HA3 GLY 1 2HA GLY 1 -25.911 -12.724 6.773 4 H SER 2 H SER 2 -24.112 -14.912 6.895 5 HA SER 2 HA SER 2 -24.960 -16.166 9.425 6 HB2 SER 2 1HB SER 2 -24.793 -17.913 7.807 7 HB3 SER 2 2HB SER 2 -23.266 -17.285 7.188 8 HG SER 2 HG SER 2 -23.787 -18.756 9.501 9 H SER 3 H SER 3 -23.784 -15.671 11.150 10 HA SER 3 HA SER 3 -21.847 -13.772 11.300 11 HB2 SER 3 1HB SER 3 -21.306 -14.587 13.489 12 HB3 SER 3 2HB SER 3 -23.022 -14.904 13.231 13 HG SER 3 HG SER 3 -20.961 -16.655 13.618 14 H GLY 4 H GLY 4 -19.894 -13.578 10.442 15 HA2 GLY 4 1HA GLY 4 -18.354 -16.041 9.905 16 HA3 GLY 4 2HA GLY 4 -18.254 -14.583 8.929 17 H SER 5 H SER 5 -17.031 -16.272 11.631 18 HA SER 5 HA SER 5 -15.097 -14.116 12.086 19 HB2 SER 5 1HB SER 5 -16.452 -15.634 14.328 20 HB3 SER 5 2HB SER 5 -15.246 -14.359 14.501 21 HG SER 5 HG SER 5 -16.923 -13.113 13.187 22 H SER 6 H SER 6 -13.042 -14.797 12.323 23 HA SER 6 HA SER 6 -11.323 -16.284 11.907 24 HB2 SER 6 1HB SER 6 -12.623 -17.317 14.434 25 HB3 SER 6 2HB SER 6 -11.041 -17.850 13.864 26 HG SER 6 HG SER 6 -11.816 -15.236 14.640 27 H GLY 7 H GLY 7 -13.432 -16.950 10.243 28 HA2 GLY 7 1HA GLY 7 -13.924 -19.804 10.491 29 HA3 GLY 7 2HA GLY 7 -14.554 -18.740 9.242 30 H MET 8 H MET 8 -13.495 -18.560 7.321 31 HA MET 8 HA MET 8 -11.104 -20.250 7.007 32 HB2 MET 8 1HB MET 8 -13.303 -19.568 5.056 33 HB3 MET 8 2HB MET 8 -11.805 -20.357 4.582 34 HG2 MET 8 1HG MET 8 -13.270 -22.122 4.836 35 HG3 MET 8 2HG MET 8 -12.404 -22.101 6.370 36 HE1 MET 8 3HE MET 8 -15.850 -20.383 4.839 37 HE2 MET 8 1HE MET 8 -15.512 -22.081 4.500 38 HE3 MET 8 2HE MET 8 -16.811 -21.645 5.611 39 H ALA 9 H ALA 9 -12.655 -17.289 5.791 40 HA ALA 9 HA ALA 9 -10.038 -16.330 4.879 41 HB1 ALA 9 3HB ALA 9 -11.096 -15.207 3.252 42 HB2 ALA 9 1HB ALA 9 -12.453 -16.269 3.627 43 HB3 ALA 9 2HB ALA 9 -12.376 -14.653 4.330 44 H SER 10 H SER 10 -9.159 -15.759 6.889 45 HA SER 10 HA SER 10 -10.486 -14.105 8.768 46 HB2 SER 10 1HB SER 10 -7.686 -15.056 8.367 47 HB3 SER 10 2HB SER 10 -7.947 -13.684 9.444 48 HG SER 10 HG SER 10 -8.192 -15.378 10.761 49 H THR 11 H THR 11 -11.286 -12.244 7.898 50 HA THR 11 HA THR 11 -9.770 -10.559 6.155 51 HB THR 11 HB THR 11 -11.612 -8.937 6.448 52 HG1 THR 11 1HG THR 11 -12.229 -10.681 8.546 53 HG21 THR 11 3HG2 THR 11 -13.485 -10.564 5.721 54 HG22 THR 11 1HG2 THR 11 -12.237 -11.804 5.825 55 HG23 THR 11 2HG2 THR 11 -12.039 -10.444 4.720 56 H PHE 12 H PHE 12 -7.966 -9.653 6.954 57 HA PHE 12 HA PHE 12 -7.705 -8.799 9.665 58 HB2 PHE 12 1HB PHE 12 -5.976 -8.296 7.236 59 HB3 PHE 12 2HB PHE 12 -5.538 -7.829 8.875 60 HD1 PHE 12 2HD PHE 12 -6.341 -10.746 6.739 61 HD2 PHE 12 1HD PHE 12 -4.524 -9.352 10.327 62 HE1 PHE 12 2HE PHE 12 -5.368 -12.975 7.108 63 HE2 PHE 12 1HE PHE 12 -3.548 -11.580 10.702 64 HZ PHE 12 HZ PHE 12 -3.970 -13.395 9.092 65 H ASN 13 H ASN 13 -7.042 -6.544 10.232 66 HA ASN 13 HA ASN 13 -8.757 -4.623 8.803 67 HB2 ASN 13 1HB ASN 13 -9.313 -5.174 11.211 68 HB3 ASN 13 2HB ASN 13 -7.797 -4.399 11.659 69 HD21 ASN 13 1HD2 ASN 13 -7.611 -2.189 11.544 70 HD22 ASN 13 2HD2 ASN 13 -8.967 -1.146 11.300 71 HA PRO 14 HA PRO 14 -4.516 -3.126 7.914 72 HB2 PRO 14 1HB PRO 14 -5.180 -2.050 5.512 73 HB3 PRO 14 2HB PRO 14 -4.774 -3.757 5.720 74 HG2 PRO 14 1HG PRO 14 -7.465 -2.460 5.527 75 HG3 PRO 14 2HG PRO 14 -6.887 -3.956 4.770 76 HD2 PRO 14 1HD PRO 14 -8.425 -3.951 6.999 77 HD3 PRO 14 2HD PRO 14 -7.197 -5.195 6.688 78 H ARG 15 H ARG 15 -3.745 -0.922 7.466 79 HA ARG 15 HA ARG 15 -5.514 1.051 8.711 80 HB2 ARG 15 1HB ARG 15 -3.348 0.807 9.761 81 HB3 ARG 15 2HB ARG 15 -2.532 1.055 8.223 82 HG2 ARG 15 1HG ARG 15 -3.112 3.336 8.166 83 HG3 ARG 15 2HG ARG 15 -4.292 3.145 9.465 84 HD2 ARG 15 1HD ARG 15 -2.221 2.366 10.846 85 HD3 ARG 15 2HD ARG 15 -1.308 3.222 9.604 86 HE ARG 15 HE ARG 15 -3.189 5.021 10.387 87 HH11 ARG 15 1HH1 ARG 15 -0.791 3.128 12.057 88 HH12 ARG 15 2HH1 ARG 15 -0.561 4.294 13.318 89 HH21 ARG 15 1HH2 ARG 15 -2.896 6.563 12.042 90 HH22 ARG 15 2HH2 ARG 15 -1.760 6.246 13.309 91 H GLU 16 H GLU 16 -6.049 2.982 7.754 92 HA GLU 16 HA GLU 16 -5.454 3.174 4.878 93 HB2 GLU 16 1HB GLU 16 -7.838 2.887 5.446 94 HB3 GLU 16 2HB GLU 16 -7.773 4.347 6.423 95 HG2 GLU 16 1HG GLU 16 -7.238 5.655 4.425 96 HG3 GLU 16 2HG GLU 16 -7.331 4.189 3.450 97 H CYS 17 H CYS 17 -4.029 4.676 4.342 98 HA CYS 17 HA CYS 17 -3.885 7.126 5.974 99 HB2 CYS 17 1HB CYS 17 -1.703 5.512 4.673 100 HB3 CYS 17 2HB CYS 17 -1.462 7.203 5.092 101 HG CYS 17 HG CYS 17 -0.321 5.395 7.008 102 H LYS 18 H LYS 18 -3.830 9.075 4.942 103 HA LYS 18 HA LYS 18 -4.152 9.005 2.013 104 HB2 LYS 18 1HB LYS 18 -5.542 10.555 4.146 105 HB3 LYS 18 2HB LYS 18 -5.288 11.341 2.594 106 HG2 LYS 18 1HG LYS 18 -6.430 9.452 1.489 107 HG3 LYS 18 2HG LYS 18 -6.754 8.757 3.079 108 HD2 LYS 18 1HD LYS 18 -8.187 10.525 3.675 109 HD3 LYS 18 2HD LYS 18 -7.610 11.546 2.356 110 HE2 LYS 18 1HE LYS 18 -8.535 9.567 0.880 111 HE3 LYS 18 2HE LYS 18 -9.527 9.266 2.307 112 HZ1 LYS 18 3HZ LYS 18 -9.358 11.945 1.064 113 HZ2 LYS 18 1HZ LYS 18 -10.530 11.353 2.132 114 HZ3 LYS 18 2HZ LYS 18 -10.476 10.789 0.538 115 H LEU 19 H LEU 19 -2.603 9.960 0.879 116 HA LEU 19 HA LEU 19 -0.842 11.879 2.246 117 HB2 LEU 19 1HB LEU 19 -0.422 9.834 0.139 118 HB3 LEU 19 2HB LEU 19 0.543 11.306 0.045 119 HG LEU 19 HG LEU 19 1.037 10.692 2.582 120 HD11 LEU 19 1HD1 LEU 19 0.391 8.673 3.221 121 HD12 LEU 19 2HD1 LEU 19 1.305 7.950 1.897 122 HD13 LEU 19 3HD1 LEU 19 -0.378 8.417 1.654 123 HD21 LEU 19 3HD2 LEU 19 2.383 9.328 0.252 124 HD22 LEU 19 1HD2 LEU 19 3.088 9.639 1.839 125 HD23 LEU 19 2HD2 LEU 19 2.681 10.986 0.775 126 H SER 20 H SER 20 -1.075 13.942 1.733 127 HA SER 20 HA SER 20 -1.895 14.645 -1.001 128 HB2 SER 20 1HB SER 20 -3.268 16.508 -0.018 129 HB3 SER 20 2HB SER 20 -3.891 14.894 0.324 130 HG SER 20 HG SER 20 -3.817 16.341 2.163 131 H LYS 21 H LYS 21 -0.270 15.732 -1.873 132 HA LYS 21 HA LYS 21 1.422 17.411 -0.166 133 HB2 LYS 21 1HB LYS 21 3.100 17.252 -1.832 134 HB3 LYS 21 2HB LYS 21 2.423 15.637 -1.675 135 HG2 LYS 21 1HG LYS 21 1.572 17.591 -3.796 136 HG3 LYS 21 2HG LYS 21 2.854 16.398 -4.019 137 HD2 LYS 21 1HD LYS 21 0.993 14.739 -3.162 138 HD3 LYS 21 2HD LYS 21 -0.088 16.006 -3.744 139 HE2 LYS 21 1HE LYS 21 2.070 14.666 -5.371 140 HE3 LYS 21 2HE LYS 21 0.351 14.284 -5.449 141 HZ1 LYS 21 3HZ LYS 21 1.224 17.054 -5.889 142 HZ2 LYS 21 1HZ LYS 21 -0.131 16.245 -6.500 143 HZ3 LYS 21 2HZ LYS 21 1.402 15.929 -7.139 144 H GLN 22 H GLN 22 2.430 19.258 -1.780 145 HA GLN 22 HA GLN 22 0.079 20.838 -2.566 146 HB2 GLN 22 1HB GLN 22 2.814 21.623 -1.584 147 HB3 GLN 22 2HB GLN 22 1.748 22.777 -2.374 148 HG2 GLN 22 1HG GLN 22 0.045 22.352 -0.655 149 HG3 GLN 22 2HG GLN 22 1.159 21.247 0.150 150 HE21 GLN 22 1HE2 GLN 22 0.859 22.664 1.985 151 HE22 GLN 22 2HE2 GLN 22 1.804 24.105 2.108 152 H GLU 23 H GLU 23 0.167 22.131 -4.468 153 HA GLU 23 HA GLU 23 1.024 20.868 -6.756 154 HB2 GLU 23 1HB GLU 23 -0.509 22.991 -6.343 155 HB3 GLU 23 2HB GLU 23 0.970 23.852 -6.745 156 HG2 GLU 23 1HG GLU 23 0.955 22.164 -8.786 157 HG3 GLU 23 2HG GLU 23 -0.776 22.174 -8.451 158 H GLY 24 H GLY 24 3.088 20.184 -6.958 159 HA2 GLY 24 1HA GLY 24 5.228 20.687 -7.889 160 HA3 GLY 24 2HA GLY 24 5.148 22.272 -7.135 161 H GLN 25 H GLN 25 4.195 19.603 -5.199 162 HA GLN 25 HA GLN 25 6.784 19.713 -3.796 163 HB2 GLN 25 1HB GLN 25 4.659 20.667 -2.663 164 HB3 GLN 25 2HB GLN 25 4.197 18.983 -2.454 165 HG2 GLN 25 1HG GLN 25 5.237 19.651 -0.449 166 HG3 GLN 25 2HG GLN 25 6.396 18.629 -1.298 167 HE21 GLN 25 1HE2 GLN 25 7.554 20.006 0.520 168 HE22 GLN 25 2HE2 GLN 25 8.366 21.408 -0.082 169 H ASN 26 H ASN 26 7.423 17.757 -2.661 170 HA ASN 26 HA ASN 26 6.670 15.379 -4.186 171 HB2 ASN 26 1HB ASN 26 9.116 16.246 -3.658 172 HB3 ASN 26 2HB ASN 26 8.865 15.356 -2.159 173 HD21 ASN 26 1HD2 ASN 26 10.712 14.861 -4.368 174 HD22 ASN 26 2HD2 ASN 26 10.373 13.259 -4.918 175 H TYR 27 H TYR 27 6.562 13.293 -2.967 176 HA TYR 27 HA TYR 27 4.735 13.606 -0.743 177 HB2 TYR 27 1HB TYR 27 5.574 11.348 -2.512 178 HB3 TYR 27 2HB TYR 27 4.847 10.973 -0.953 179 HD1 TYR 27 2HD TYR 27 2.714 12.757 -0.552 180 HD2 TYR 27 1HD TYR 27 4.072 11.125 -4.239 181 HE1 TYR 27 2HE TYR 27 0.474 13.083 -1.514 182 HE2 TYR 27 1HE TYR 27 1.836 11.448 -5.212 183 HH TYR 27 HH TYR 27 -0.177 12.418 -4.920 184 H GLY 28 H GLY 28 7.969 12.327 -1.334 185 HA2 GLY 28 1HA GLY 28 9.643 12.511 0.395 186 HA3 GLY 28 2HA GLY 28 8.374 12.261 1.585 187 H PHE 29 H PHE 29 7.163 10.060 0.068 188 HA PHE 29 HA PHE 29 9.166 7.997 0.699 189 HB2 PHE 29 1HB PHE 29 7.507 6.640 1.540 190 HB3 PHE 29 2HB PHE 29 6.835 8.220 1.928 191 HD1 PHE 29 1HD PHE 29 5.408 9.247 -0.114 192 HD2 PHE 29 2HD PHE 29 6.066 5.110 0.644 193 HE1 PHE 29 1HE PHE 29 3.374 8.694 -1.383 194 HE2 PHE 29 2HE PHE 29 4.033 4.551 -0.625 195 HZ PHE 29 HZ PHE 29 2.685 6.344 -1.641 196 H PHE 30 H PHE 30 9.518 6.305 -0.714 197 HA PHE 30 HA PHE 30 8.273 6.577 -3.371 198 HB2 PHE 30 1HB PHE 30 11.119 5.832 -2.676 199 HB3 PHE 30 2HB PHE 30 10.430 5.681 -4.289 200 HD1 PHE 30 1HD PHE 30 9.616 7.758 -5.454 201 HD2 PHE 30 2HD PHE 30 11.961 7.874 -1.904 202 HE1 PHE 30 1HE PHE 30 10.209 10.098 -5.926 203 HE2 PHE 30 2HE PHE 30 12.558 10.215 -2.370 204 HZ PHE 30 HZ PHE 30 11.681 11.330 -4.383 205 H LEU 31 H LEU 31 7.498 4.768 -4.333 206 HA LEU 31 HA LEU 31 7.252 2.403 -2.690 207 HB2 LEU 31 1HB LEU 31 6.193 3.037 -5.440 208 HB3 LEU 31 2HB LEU 31 5.802 1.587 -4.517 209 HG LEU 31 HG LEU 31 5.211 4.288 -3.373 210 HD11 LEU 31 1HD1 LEU 31 2.907 3.182 -4.652 211 HD12 LEU 31 2HD1 LEU 31 4.187 3.410 -5.842 212 HD13 LEU 31 3HD1 LEU 31 3.643 4.771 -4.861 213 HD21 LEU 31 3HD2 LEU 31 3.177 2.639 -2.717 214 HD22 LEU 31 1HD2 LEU 31 4.643 2.830 -1.754 215 HD23 LEU 31 2HD2 LEU 31 4.494 1.476 -2.875 216 H ARG 32 H ARG 32 9.108 1.247 -2.614 217 HA ARG 32 HA ARG 32 10.353 0.493 -5.174 218 HB2 ARG 32 1HB ARG 32 11.541 0.432 -2.393 219 HB3 ARG 32 2HB ARG 32 12.376 -0.002 -3.879 220 HG2 ARG 32 1HG ARG 32 11.669 2.448 -4.571 221 HG3 ARG 32 2HG ARG 32 11.647 2.669 -2.820 222 HD2 ARG 32 1HD ARG 32 13.824 3.253 -3.519 223 HD3 ARG 32 2HD ARG 32 13.961 1.652 -2.794 224 HE ARG 32 HE ARG 32 13.628 1.080 -5.400 225 HH11 ARG 32 1HH1 ARG 32 15.762 3.264 -3.728 226 HH12 ARG 32 2HH1 ARG 32 17.027 3.136 -4.906 227 HH21 ARG 32 1HH2 ARG 32 15.285 0.904 -6.957 228 HH22 ARG 32 2HH2 ARG 32 16.754 1.794 -6.742 229 H ILE 33 H ILE 33 11.540 -1.729 -4.921 230 HA ILE 33 HA ILE 33 9.680 -3.622 -3.639 231 HB ILE 33 HB ILE 33 10.246 -5.211 -5.501 232 HG12 ILE 33 1HG1 ILE 33 11.286 -2.703 -6.838 233 HG13 ILE 33 2HG1 ILE 33 12.292 -4.024 -6.254 234 HG21 ILE 33 1HG2 ILE 33 8.970 -2.914 -6.843 235 HG22 ILE 33 2HG2 ILE 33 8.400 -4.569 -6.633 236 HG23 ILE 33 3HG2 ILE 33 8.260 -3.414 -5.308 237 HD11 ILE 33 3HD1 ILE 33 11.088 -5.534 -7.824 238 HD12 ILE 33 1HD1 ILE 33 10.278 -4.112 -8.482 239 HD13 ILE 33 2HD1 ILE 33 12.031 -4.265 -8.605 240 H GLU 34 H GLU 34 10.549 -5.381 -2.607 241 HA GLU 34 HA GLU 34 13.476 -5.356 -2.302 242 HB2 GLU 34 1HB GLU 34 11.892 -4.965 -0.296 243 HB3 GLU 34 2HB GLU 34 11.570 -6.691 -0.399 244 HG2 GLU 34 1HG GLU 34 14.062 -7.040 -0.225 245 HG3 GLU 34 2HG GLU 34 14.181 -5.329 0.182 246 H LYS 35 H LYS 35 14.658 -7.189 -2.602 247 HA LYS 35 HA LYS 35 13.725 -9.160 -4.339 248 HB2 LYS 35 1HB LYS 35 15.806 -10.339 -3.876 249 HB3 LYS 35 2HB LYS 35 16.105 -8.615 -4.044 250 HG2 LYS 35 1HG LYS 35 16.604 -8.343 -1.821 251 HG3 LYS 35 2HG LYS 35 15.658 -9.748 -1.326 252 HD2 LYS 35 1HD LYS 35 17.369 -11.172 -2.509 253 HD3 LYS 35 2HD LYS 35 18.351 -9.715 -2.677 254 HE2 LYS 35 1HE LYS 35 19.131 -10.839 -0.743 255 HE3 LYS 35 2HE LYS 35 18.193 -9.457 -0.178 256 HZ1 LYS 35 3HZ LYS 35 16.427 -11.582 -0.416 257 HZ2 LYS 35 1HZ LYS 35 16.987 -10.862 1.010 258 HZ3 LYS 35 2HZ LYS 35 17.798 -12.197 0.361 259 H ASP 36 H ASP 36 13.249 -11.368 -4.042 260 HA ASP 36 HA ASP 36 11.916 -12.969 -3.071 261 HB2 ASP 36 1HB ASP 36 14.137 -12.569 -1.063 262 HB3 ASP 36 2HB ASP 36 12.978 -13.891 -0.960 263 H THR 37 H THR 37 10.740 -10.511 -2.703 264 HA THR 37 HA THR 37 9.402 -10.920 -0.133 265 HB THR 37 HB THR 37 10.412 -8.222 -1.055 266 HG1 THR 37 1HG THR 37 11.510 -8.483 1.103 267 HG21 THR 37 3HG2 THR 37 9.590 -7.669 1.360 268 HG22 THR 37 1HG2 THR 37 8.559 -9.081 1.132 269 HG23 THR 37 2HG2 THR 37 8.433 -7.709 0.031 270 H ASP 38 H ASP 38 7.273 -10.051 -0.031 271 HA ASP 38 HA ASP 38 6.088 -9.627 -2.689 272 HB2 ASP 38 1HB ASP 38 5.404 -11.558 -1.014 273 HB3 ASP 38 2HB ASP 38 4.427 -10.281 -0.294 274 H GLY 39 H GLY 39 4.507 -8.010 -2.990 275 HA2 GLY 39 1HA GLY 39 3.383 -6.032 -2.559 276 HA3 GLY 39 2HA GLY 39 3.868 -6.166 -0.875 277 H HIS 40 H HIS 40 4.031 -3.743 -1.415 278 HA HIS 40 HA HIS 40 6.731 -3.162 -2.443 279 HB2 HIS 40 1HB HIS 40 4.156 -1.644 -2.575 280 HB3 HIS 40 2HB HIS 40 5.674 -0.750 -2.561 281 HD1 HIS 40 1HD HIS 40 7.241 -1.050 -4.625 282 HD2 HIS 40 2HD HIS 40 3.571 -2.971 -4.945 283 HE1 HIS 40 1HE HIS 40 7.014 -1.667 -7.053 284 HE2 HIS 40 2HE HIS 40 4.748 -2.751 -7.237 285 H LEU 41 H LEU 41 8.186 -2.525 -1.004 286 HA LEU 41 HA LEU 41 7.306 -1.781 1.677 287 HB2 LEU 41 1HB LEU 41 9.971 -2.543 0.515 288 HB3 LEU 41 2HB LEU 41 9.798 -1.916 2.153 289 HG LEU 41 HG LEU 41 8.120 -3.891 2.439 290 HD11 LEU 41 1HD1 LEU 41 7.903 -5.284 0.732 291 HD12 LEU 41 2HD1 LEU 41 9.628 -5.640 0.803 292 HD13 LEU 41 3HD1 LEU 41 9.041 -4.326 -0.216 293 HD21 LEU 41 3HD2 LEU 41 9.900 -4.100 3.826 294 HD22 LEU 41 1HD2 LEU 41 11.076 -3.820 2.543 295 HD23 LEU 41 2HD2 LEU 41 10.309 -5.400 2.705 296 H ILE 42 H ILE 42 7.432 0.222 2.482 297 HA ILE 42 HA ILE 42 8.216 2.379 0.730 298 HB ILE 42 HB ILE 42 7.062 2.338 3.514 299 HG12 ILE 42 1HG1 ILE 42 5.253 3.644 2.117 300 HG13 ILE 42 2HG1 ILE 42 6.019 2.839 0.752 301 HG21 ILE 42 1HG2 ILE 42 8.413 4.496 2.082 302 HG22 ILE 42 2HG2 ILE 42 6.798 4.917 2.650 303 HG23 ILE 42 3HG2 ILE 42 8.013 4.345 3.793 304 HD11 ILE 42 3HD1 ILE 42 5.515 0.950 2.844 305 HD12 ILE 42 1HD1 ILE 42 4.041 1.831 2.447 306 HD13 ILE 42 2HD1 ILE 42 4.921 0.971 1.184 307 H ARG 43 H ARG 43 10.179 3.226 0.639 308 HA ARG 43 HA ARG 43 11.817 3.341 3.060 309 HB2 ARG 43 1HB ARG 43 12.645 2.092 0.445 310 HB3 ARG 43 2HB ARG 43 13.815 2.664 1.626 311 HG2 ARG 43 1HG ARG 43 13.689 0.480 2.238 312 HG3 ARG 43 2HG ARG 43 12.401 1.139 3.249 313 HD2 ARG 43 1HD ARG 43 11.480 -0.781 2.256 314 HD3 ARG 43 2HD ARG 43 10.824 0.573 1.336 315 HE ARG 43 HE ARG 43 11.976 -0.157 -0.511 316 HH11 ARG 43 1HH1 ARG 43 13.136 -1.821 2.319 317 HH12 ARG 43 2HH1 ARG 43 14.089 -2.956 1.421 318 HH21 ARG 43 1HH2 ARG 43 13.227 -1.646 -1.704 319 HH22 ARG 43 2HH2 ARG 43 14.140 -2.855 -0.867 320 H VAL 44 H VAL 44 13.664 4.828 2.839 321 HA VAL 44 HA VAL 44 14.661 6.778 2.184 322 HB VAL 44 HB VAL 44 12.953 6.773 -0.297 323 HG11 VAL 44 1HG1 VAL 44 15.303 8.255 0.675 324 HG12 VAL 44 2HG1 VAL 44 15.380 7.723 -1.006 325 HG13 VAL 44 3HG1 VAL 44 14.044 8.738 -0.461 326 HG21 VAL 44 3HG2 VAL 44 14.663 4.713 0.452 327 HG22 VAL 44 1HG2 VAL 44 14.050 5.043 -1.169 328 HG23 VAL 44 2HG2 VAL 44 15.610 5.694 -0.666 329 H ILE 45 H ILE 45 12.300 6.695 3.802 330 HA ILE 45 HA ILE 45 10.449 8.702 3.034 331 HB ILE 45 HB ILE 45 11.098 7.737 5.821 332 HG12 ILE 45 1HG1 ILE 45 8.904 6.788 3.972 333 HG13 ILE 45 2HG1 ILE 45 10.439 5.949 4.170 334 HG21 ILE 45 1HG2 ILE 45 9.556 9.881 5.062 335 HG22 ILE 45 2HG2 ILE 45 8.374 8.586 5.244 336 HG23 ILE 45 3HG2 ILE 45 9.432 9.009 6.590 337 HD11 ILE 45 3HD1 ILE 45 8.187 6.254 6.100 338 HD12 ILE 45 1HD1 ILE 45 9.047 4.800 5.596 339 HD13 ILE 45 2HD1 ILE 45 9.823 5.951 6.684 340 H GLU 46 H GLU 46 11.412 10.611 2.473 341 HA GLU 46 HA GLU 46 13.525 11.852 3.839 342 HB2 GLU 46 1HB GLU 46 11.485 12.729 1.852 343 HB3 GLU 46 2HB GLU 46 12.382 13.973 2.711 344 HG2 GLU 46 1HG GLU 46 14.447 13.214 1.857 345 HG3 GLU 46 2HG GLU 46 13.729 11.719 1.257 346 H GLU 47 H GLU 47 13.362 14.002 4.947 347 HA GLU 47 HA GLU 47 11.411 13.791 7.088 348 HB2 GLU 47 1HB GLU 47 13.994 14.368 7.221 349 HB3 GLU 47 2HB GLU 47 13.408 16.004 6.956 350 HG2 GLU 47 1HG GLU 47 11.810 15.530 8.907 351 HG3 GLU 47 2HG GLU 47 12.874 14.169 9.257 352 H GLY 48 H GLY 48 10.154 15.623 7.812 353 HA2 GLY 48 1HA GLY 48 8.619 17.288 7.444 354 HA3 GLY 48 2HA GLY 48 9.854 18.029 6.437 355 H SER 49 H SER 49 8.339 14.903 5.858 356 HA SER 49 HA SER 49 7.238 16.001 3.358 357 HB2 SER 49 1HB SER 49 7.691 14.006 2.294 358 HB3 SER 49 2HB SER 49 8.996 14.020 3.480 359 HG SER 49 HG SER 49 8.150 12.329 4.388 360 HA PRO 50 HA PRO 50 3.118 15.172 4.621 361 HB2 PRO 50 1HB PRO 50 1.970 14.461 2.266 362 HB3 PRO 50 2HB PRO 50 2.444 16.122 2.641 363 HG2 PRO 50 1HG PRO 50 3.882 14.063 1.012 364 HG3 PRO 50 2HG PRO 50 3.649 15.789 0.680 365 HD2 PRO 50 1HD PRO 50 5.958 14.799 1.690 366 HD3 PRO 50 2HD PRO 50 5.357 16.421 2.092 367 H ALA 51 H ALA 51 5.138 12.722 3.458 368 HA ALA 51 HA ALA 51 3.177 10.594 3.640 369 HB1 ALA 51 3HB ALA 51 6.159 10.450 3.213 370 HB2 ALA 51 1HB ALA 51 5.020 9.112 3.055 371 HB3 ALA 51 2HB ALA 51 4.935 10.480 1.944 372 H GLU 52 H GLU 52 5.733 11.997 5.573 373 HA GLU 52 HA GLU 52 5.661 9.868 7.532 374 HB2 GLU 52 1HB GLU 52 7.721 11.247 6.896 375 HB3 GLU 52 2HB GLU 52 7.011 12.541 7.850 376 HG2 GLU 52 1HG GLU 52 8.677 11.246 9.098 377 HG3 GLU 52 2HG GLU 52 7.077 11.180 9.834 378 H LYS 53 H LYS 53 4.440 13.141 7.165 379 HA LYS 53 HA LYS 53 3.640 13.698 9.755 380 HB2 LYS 53 1HB LYS 53 2.050 15.250 8.800 381 HB3 LYS 53 2HB LYS 53 3.535 15.293 7.859 382 HG2 LYS 53 1HG LYS 53 2.534 13.963 6.124 383 HG3 LYS 53 2HG LYS 53 1.073 13.739 7.089 384 HD2 LYS 53 1HD LYS 53 0.680 16.169 7.016 385 HD3 LYS 53 2HD LYS 53 2.115 16.357 6.004 386 HE2 LYS 53 1HE LYS 53 1.105 15.443 4.168 387 HE3 LYS 53 2HE LYS 53 0.031 14.428 5.128 388 HZ1 LYS 53 3HZ LYS 53 -1.359 16.036 4.230 389 HZ2 LYS 53 1HZ LYS 53 -0.248 17.291 4.463 390 HZ3 LYS 53 2HZ LYS 53 -1.061 16.625 5.788 391 H ALA 54 H ALA 54 2.100 11.679 7.327 392 HA ALA 54 HA ALA 54 -0.336 11.310 8.769 393 HB1 ALA 54 3HB ALA 54 -0.361 11.005 6.399 394 HB2 ALA 54 1HB ALA 54 0.900 9.775 6.490 395 HB3 ALA 54 2HB ALA 54 -0.702 9.445 7.149 396 H GLY 55 H GLY 55 2.806 9.888 8.911 397 HA2 GLY 55 1HA GLY 55 3.404 8.674 10.920 398 HA3 GLY 55 2HA GLY 55 1.794 7.970 10.910 399 H LEU 56 H LEU 56 3.432 8.224 7.894 400 HA LEU 56 HA LEU 56 3.454 5.361 7.612 401 HB2 LEU 56 1HB LEU 56 2.958 7.167 5.826 402 HB3 LEU 56 2HB LEU 56 4.711 7.272 5.680 403 HG LEU 56 HG LEU 56 4.704 4.804 5.164 404 HD11 LEU 56 1HD1 LEU 56 2.495 3.978 4.257 405 HD12 LEU 56 2HD1 LEU 56 1.743 5.323 5.113 406 HD13 LEU 56 3HD1 LEU 56 2.623 4.087 6.013 407 HD21 LEU 56 3HD2 LEU 56 3.797 7.024 3.492 408 HD22 LEU 56 1HD2 LEU 56 3.350 5.433 2.875 409 HD23 LEU 56 2HD2 LEU 56 5.043 5.811 3.194 410 H LEU 57 H LEU 57 5.051 4.087 8.249 411 HA LEU 57 HA LEU 57 7.747 5.230 8.529 412 HB2 LEU 57 1HB LEU 57 6.276 3.064 9.965 413 HB3 LEU 57 2HB LEU 57 8.037 3.031 9.912 414 HG LEU 57 HG LEU 57 7.834 5.463 10.833 415 HD11 LEU 57 1HD1 LEU 57 5.900 5.895 12.165 416 HD12 LEU 57 2HD1 LEU 57 5.230 4.303 11.806 417 HD13 LEU 57 3HD1 LEU 57 5.359 5.513 10.530 418 HD21 LEU 57 3HD2 LEU 57 7.986 4.618 13.075 419 HD22 LEU 57 1HD2 LEU 57 8.793 3.485 11.991 420 HD23 LEU 57 2HD2 LEU 57 7.183 3.117 12.612 421 H ASP 58 H ASP 58 9.554 3.672 8.147 422 HA ASP 58 HA ASP 58 9.283 2.526 5.541 423 HB2 ASP 58 1HB ASP 58 11.677 1.842 5.902 424 HB3 ASP 58 2HB ASP 58 11.370 3.566 6.088 425 H GLY 59 H GLY 59 9.271 0.396 4.921 426 HA2 GLY 59 1HA GLY 59 9.582 -1.948 5.365 427 HA3 GLY 59 2HA GLY 59 9.240 -1.629 7.059 428 H ASP 60 H ASP 60 7.003 0.198 5.799 429 HA ASP 60 HA ASP 60 4.891 -1.632 6.257 430 HB2 ASP 60 1HB ASP 60 5.095 1.194 5.317 431 HB3 ASP 60 2HB ASP 60 3.576 0.339 5.061 432 H ARG 61 H ARG 61 3.274 -2.351 4.766 433 HA ARG 61 HA ARG 61 4.246 -2.579 1.993 434 HB2 ARG 61 1HB ARG 61 3.222 -4.648 3.873 435 HB3 ARG 61 2HB ARG 61 2.785 -4.801 2.177 436 HG2 ARG 61 1HG ARG 61 4.701 -6.040 2.235 437 HG3 ARG 61 2HG ARG 61 5.354 -4.458 1.802 438 HD2 ARG 61 1HD ARG 61 6.283 -4.124 3.872 439 HD3 ARG 61 2HD ARG 61 5.108 -5.156 4.684 440 HE ARG 61 HE ARG 61 7.594 -5.973 3.455 441 HH11 ARG 61 1HH1 ARG 61 4.484 -6.962 4.670 442 HH12 ARG 61 2HH1 ARG 61 4.960 -8.609 4.921 443 HH21 ARG 61 1HH2 ARG 61 8.232 -8.139 3.781 444 HH22 ARG 61 2HH2 ARG 61 7.093 -9.277 4.415 445 H VAL 62 H VAL 62 2.874 -1.956 0.447 446 HA VAL 62 HA VAL 62 0.207 -1.081 1.234 447 HB VAL 62 HB VAL 62 1.259 0.575 -0.030 448 HG11 VAL 62 1HG1 VAL 62 2.278 0.010 -2.307 449 HG12 VAL 62 2HG1 VAL 62 3.177 -0.478 -0.869 450 HG13 VAL 62 3HG1 VAL 62 2.236 -1.668 -1.769 451 HG21 VAL 62 3HG2 VAL 62 -1.050 -0.088 -0.816 452 HG22 VAL 62 1HG2 VAL 62 -0.079 0.830 -1.967 453 HG23 VAL 62 2HG2 VAL 62 -0.261 -0.913 -2.160 454 H LEU 63 H LEU 63 -1.580 -2.197 0.812 455 HA LEU 63 HA LEU 63 -1.389 -4.623 -0.784 456 HB2 LEU 63 1HB LEU 63 -3.654 -3.537 0.883 457 HB3 LEU 63 2HB LEU 63 -3.627 -5.114 0.096 458 HG LEU 63 HG LEU 63 -1.479 -4.457 2.056 459 HD11 LEU 63 1HD1 LEU 63 -3.083 -5.528 3.779 460 HD12 LEU 63 2HD1 LEU 63 -4.357 -4.957 2.702 461 HD13 LEU 63 3HD1 LEU 63 -3.230 -3.807 3.423 462 HD21 LEU 63 3HD2 LEU 63 -1.114 -6.667 2.019 463 HD22 LEU 63 1HD2 LEU 63 -2.078 -6.647 0.542 464 HD23 LEU 63 2HD2 LEU 63 -2.835 -7.051 2.083 465 H ARG 64 H ARG 64 -3.400 -1.692 -0.643 466 HA ARG 64 HA ARG 64 -3.930 -2.025 -3.515 467 HB2 ARG 64 1HB ARG 64 -5.981 -1.166 -1.466 468 HB3 ARG 64 2HB ARG 64 -6.240 -1.305 -3.199 469 HG2 ARG 64 1HG ARG 64 -5.492 -3.785 -2.796 470 HG3 ARG 64 2HG ARG 64 -5.993 -3.437 -1.140 471 HD2 ARG 64 1HD ARG 64 -8.205 -3.000 -1.785 472 HD3 ARG 64 2HD ARG 64 -7.766 -2.830 -3.484 473 HE ARG 64 HE ARG 64 -7.278 -5.449 -2.386 474 HH11 ARG 64 1HH1 ARG 64 -9.578 -3.361 -3.957 475 HH12 ARG 64 2HH1 ARG 64 -10.513 -4.666 -4.611 476 HH21 ARG 64 1HH2 ARG 64 -8.500 -7.175 -3.241 477 HH22 ARG 64 2HH2 ARG 64 -9.899 -6.835 -4.202 478 H ILE 65 H ILE 65 -3.917 -0.172 -4.715 479 HA ILE 65 HA ILE 65 -3.167 2.285 -3.278 480 HB ILE 65 HB ILE 65 -1.623 1.158 -5.063 481 HG12 ILE 65 1HG1 ILE 65 -0.867 3.171 -4.167 482 HG13 ILE 65 2HG1 ILE 65 -1.021 3.560 -5.877 483 HG21 ILE 65 1HG2 ILE 65 -3.468 1.043 -6.747 484 HG22 ILE 65 2HG2 ILE 65 -3.388 2.800 -6.868 485 HG23 ILE 65 3HG2 ILE 65 -1.995 1.820 -7.325 486 HD11 ILE 65 3HD1 ILE 65 -2.790 4.367 -3.603 487 HD12 ILE 65 1HD1 ILE 65 -1.949 5.384 -4.773 488 HD13 ILE 65 2HD1 ILE 65 -3.345 4.430 -5.276 489 H ASN 66 H ASN 66 -4.588 3.888 -3.245 490 HA ASN 66 HA ASN 66 -6.496 5.079 -3.638 491 HB2 ASN 66 1HB ASN 66 -4.875 5.685 -5.552 492 HB3 ASN 66 2HB ASN 66 -5.914 4.687 -6.566 493 HD21 ASN 66 1HD2 ASN 66 -5.772 7.546 -4.556 494 HD22 ASN 66 2HD2 ASN 66 -7.154 8.328 -5.237 495 H GLY 67 H GLY 67 -6.779 2.151 -3.502 496 HA2 GLY 67 1HA GLY 67 -8.734 0.867 -3.488 497 HA3 GLY 67 2HA GLY 67 -9.470 2.018 -4.594 498 H VAL 68 H VAL 68 -6.401 0.290 -4.955 499 HA VAL 68 HA VAL 68 -7.562 -1.396 -7.036 500 HB VAL 68 HB VAL 68 -5.249 0.482 -7.534 501 HG11 VAL 68 1HG1 VAL 68 -4.464 -1.033 -8.959 502 HG12 VAL 68 2HG1 VAL 68 -5.848 -2.091 -8.680 503 HG13 VAL 68 3HG1 VAL 68 -5.937 -0.825 -9.906 504 HG21 VAL 68 3HG2 VAL 68 -7.636 1.337 -7.714 505 HG22 VAL 68 1HG2 VAL 68 -6.615 1.537 -9.139 506 HG23 VAL 68 2HG2 VAL 68 -7.813 0.244 -9.087 507 H PHE 69 H PHE 69 -6.783 -3.399 -6.921 508 HA PHE 69 HA PHE 69 -4.885 -4.145 -4.971 509 HB2 PHE 69 1HB PHE 69 -6.784 -5.541 -6.051 510 HB3 PHE 69 2HB PHE 69 -5.605 -5.886 -7.313 511 HD1 PHE 69 2HD PHE 69 -5.518 -5.730 -3.582 512 HD2 PHE 69 1HD PHE 69 -4.675 -7.963 -7.106 513 HE1 PHE 69 2HE PHE 69 -4.584 -7.543 -2.206 514 HE2 PHE 69 1HE PHE 69 -3.740 -9.780 -5.735 515 HZ PHE 69 HZ PHE 69 -3.692 -9.571 -3.282 516 H VAL 70 H VAL 70 -2.781 -3.750 -5.067 517 HA VAL 70 HA VAL 70 -1.404 -4.104 -7.649 518 HB VAL 70 HB VAL 70 0.192 -2.349 -6.979 519 HG11 VAL 70 1HG1 VAL 70 -1.867 -0.526 -6.851 520 HG12 VAL 70 2HG1 VAL 70 -1.176 -1.206 -8.325 521 HG13 VAL 70 3HG1 VAL 70 -2.618 -1.928 -7.611 522 HG21 VAL 70 3HG2 VAL 70 -0.940 -0.815 -5.088 523 HG22 VAL 70 1HG2 VAL 70 -1.446 -2.407 -4.523 524 HG23 VAL 70 2HG2 VAL 70 0.268 -2.050 -4.737 525 H ASP 71 H ASP 71 -1.667 -6.227 -5.960 526 HA ASP 71 HA ASP 71 0.675 -6.413 -4.264 527 HB2 ASP 71 1HB ASP 71 -1.607 -7.470 -3.773 528 HB3 ASP 71 2HB ASP 71 -1.181 -8.674 -4.986 529 H LYS 72 H LYS 72 -0.441 -7.644 -7.367 530 HA LYS 72 HA LYS 72 2.146 -8.984 -7.754 531 HB2 LYS 72 1HB LYS 72 0.245 -10.439 -8.101 532 HB3 LYS 72 2HB LYS 72 -0.483 -9.286 -9.212 533 HG2 LYS 72 1HG LYS 72 0.438 -10.963 -10.563 534 HG3 LYS 72 2HG LYS 72 1.566 -9.609 -10.668 535 HD2 LYS 72 1HD LYS 72 2.069 -11.594 -8.531 536 HD3 LYS 72 2HD LYS 72 2.339 -12.133 -10.190 537 HE2 LYS 72 1HE LYS 72 3.914 -10.385 -10.578 538 HE3 LYS 72 2HE LYS 72 3.504 -9.597 -9.056 539 HZ1 LYS 72 3HZ LYS 72 4.249 -12.020 -8.211 540 HZ2 LYS 72 1HZ LYS 72 5.297 -10.696 -8.319 541 HZ3 LYS 72 2HZ LYS 72 5.256 -11.845 -9.559 542 H GLU 73 H GLU 73 0.187 -6.350 -8.816 543 HA GLU 73 HA GLU 73 1.127 -5.869 -11.372 544 HB2 GLU 73 1HB GLU 73 0.310 -3.963 -9.185 545 HB3 GLU 73 2HB GLU 73 0.717 -3.420 -10.806 546 HG2 GLU 73 1HG GLU 73 -1.510 -5.297 -10.052 547 HG3 GLU 73 2HG GLU 73 -1.673 -3.620 -10.569 548 H GLU 74 H GLU 74 2.647 -4.139 -12.073 549 HA GLU 74 HA GLU 74 5.168 -4.446 -10.632 550 HB2 GLU 74 1HB GLU 74 4.400 -3.741 -13.426 551 HB3 GLU 74 2HB GLU 74 5.936 -3.142 -12.815 552 HG2 GLU 74 1HG GLU 74 6.384 -5.172 -13.931 553 HG3 GLU 74 2HG GLU 74 6.509 -5.502 -12.204 554 H HIS 75 H HIS 75 6.586 -2.599 -10.327 555 HA HIS 75 HA HIS 75 5.479 -0.531 -8.897 556 HB2 HIS 75 1HB HIS 75 7.852 -1.049 -8.790 557 HB3 HIS 75 2HB HIS 75 8.070 -0.532 -10.459 558 HD1 HIS 75 1HD HIS 75 6.297 1.278 -7.625 559 HD2 HIS 75 2HD HIS 75 9.513 1.750 -10.212 560 HE1 HIS 75 1HE HIS 75 7.175 3.594 -7.190 561 HE2 HIS 75 2HE HIS 75 9.067 3.888 -8.827 562 H ALA 76 H ALA 76 6.572 -0.396 -12.287 563 HA ALA 76 HA ALA 76 5.894 2.218 -12.860 564 HB1 ALA 76 3HB ALA 76 7.020 0.328 -14.301 565 HB2 ALA 76 1HB ALA 76 5.383 0.143 -14.932 566 HB3 ALA 76 2HB ALA 76 6.210 1.696 -15.066 567 H GLN 77 H GLN 77 3.831 -0.618 -12.686 568 HA GLN 77 HA GLN 77 1.535 0.639 -13.828 569 HB2 GLN 77 1HB GLN 77 1.975 -1.897 -12.275 570 HB3 GLN 77 2HB GLN 77 0.355 -1.357 -12.694 571 HG2 GLN 77 1HG GLN 77 2.382 -1.523 -14.856 572 HG3 GLN 77 2HG GLN 77 1.703 -3.021 -14.223 573 HE21 GLN 77 1HE2 GLN 77 1.146 -0.203 -16.105 574 HE22 GLN 77 2HE2 GLN 77 -0.444 -0.609 -16.646 575 H VAL 78 H VAL 78 2.772 0.195 -10.569 576 HA VAL 78 HA VAL 78 0.425 1.122 -9.239 577 HB VAL 78 HB VAL 78 3.279 0.926 -8.268 578 HG11 VAL 78 1HG1 VAL 78 1.902 0.872 -6.007 579 HG12 VAL 78 2HG1 VAL 78 2.443 2.389 -6.728 580 HG13 VAL 78 3HG1 VAL 78 0.779 1.848 -6.953 581 HG21 VAL 78 3HG2 VAL 78 1.652 -0.927 -6.963 582 HG22 VAL 78 1HG2 VAL 78 1.174 -1.006 -8.659 583 HG23 VAL 78 2HG2 VAL 78 2.860 -1.259 -8.205 584 H VAL 79 H VAL 79 3.632 2.631 -9.675 585 HA VAL 79 HA VAL 79 3.203 5.100 -8.638 586 HB VAL 79 HB VAL 79 5.337 4.368 -9.657 587 HG11 VAL 79 1HG1 VAL 79 4.481 3.418 -11.720 588 HG12 VAL 79 2HG1 VAL 79 3.956 5.014 -12.260 589 HG13 VAL 79 3HG1 VAL 79 5.676 4.666 -12.073 590 HG21 VAL 79 3HG2 VAL 79 5.340 6.774 -11.082 591 HG22 VAL 79 1HG2 VAL 79 4.148 6.985 -9.800 592 HG23 VAL 79 2HG2 VAL 79 5.803 6.528 -9.398 593 H GLU 80 H GLU 80 2.078 3.924 -11.763 594 HA GLU 80 HA GLU 80 1.195 6.334 -12.856 595 HB2 GLU 80 1HB GLU 80 1.337 4.244 -14.135 596 HB3 GLU 80 2HB GLU 80 0.009 3.574 -13.196 597 HG2 GLU 80 1HG GLU 80 -0.919 4.265 -15.239 598 HG3 GLU 80 2HG GLU 80 -1.403 5.475 -14.052 599 H LEU 81 H LEU 81 -0.418 4.083 -10.663 600 HA LEU 81 HA LEU 81 -2.956 5.282 -10.681 601 HB2 LEU 81 1HB LEU 81 -1.479 3.455 -8.871 602 HB3 LEU 81 2HB LEU 81 -2.903 4.265 -8.220 603 HG LEU 81 HG LEU 81 -3.387 2.003 -9.061 604 HD11 LEU 81 1HD1 LEU 81 -5.106 3.779 -9.048 605 HD12 LEU 81 2HD1 LEU 81 -5.360 2.579 -10.315 606 HD13 LEU 81 3HD1 LEU 81 -4.687 4.159 -10.718 607 HD21 LEU 81 3HD2 LEU 81 -3.288 1.492 -11.405 608 HD22 LEU 81 1HD2 LEU 81 -1.693 2.031 -10.879 609 HD23 LEU 81 2HD2 LEU 81 -2.740 3.126 -11.784 610 H VAL 82 H VAL 82 -0.129 5.834 -8.616 611 HA VAL 82 HA VAL 82 -1.348 7.730 -6.912 612 HB VAL 82 HB VAL 82 1.556 7.289 -7.604 613 HG11 VAL 82 1HG1 VAL 82 1.178 9.598 -6.853 614 HG12 VAL 82 2HG1 VAL 82 0.397 8.985 -5.394 615 HG13 VAL 82 3HG1 VAL 82 2.108 8.665 -5.680 616 HG21 VAL 82 3HG2 VAL 82 -0.182 6.424 -5.301 617 HG22 VAL 82 1HG2 VAL 82 0.648 5.402 -6.474 618 HG23 VAL 82 2HG2 VAL 82 1.578 6.315 -5.287 619 H ARG 83 H ARG 83 0.258 7.986 -10.016 620 HA ARG 83 HA ARG 83 0.604 10.792 -10.028 621 HB2 ARG 83 1HB ARG 83 0.487 8.700 -12.182 622 HB3 ARG 83 2HB ARG 83 0.604 10.406 -12.589 623 HG2 ARG 83 1HG ARG 83 2.637 10.419 -11.007 624 HG3 ARG 83 2HG ARG 83 2.590 8.664 -11.189 625 HD2 ARG 83 1HD ARG 83 4.041 9.288 -12.875 626 HD3 ARG 83 2HD ARG 83 2.502 9.189 -13.729 627 HE ARG 83 HE ARG 83 2.584 11.454 -14.077 628 HH11 ARG 83 1HH1 ARG 83 4.931 10.571 -11.662 629 HH12 ARG 83 2HH1 ARG 83 5.673 12.136 -11.624 630 HH21 ARG 83 1HH2 ARG 83 3.553 13.518 -14.037 631 HH22 ARG 83 2HH2 ARG 83 4.888 13.812 -12.975 632 H LYS 84 H LYS 84 -1.792 8.825 -11.799 633 HA LYS 84 HA LYS 84 -3.396 10.972 -12.605 634 HB2 LYS 84 1HB LYS 84 -5.166 9.232 -12.938 635 HB3 LYS 84 2HB LYS 84 -3.626 8.853 -13.697 636 HG2 LYS 84 1HG LYS 84 -3.162 7.530 -11.519 637 HG3 LYS 84 2HG LYS 84 -4.913 7.608 -11.308 638 HD2 LYS 84 1HD LYS 84 -3.759 6.704 -13.915 639 HD3 LYS 84 2HD LYS 84 -3.847 5.584 -12.554 640 HE2 LYS 84 1HE LYS 84 -6.312 6.313 -12.397 641 HE3 LYS 84 2HE LYS 84 -6.078 6.946 -14.025 642 HZ1 LYS 84 3HZ LYS 84 -6.035 4.155 -13.098 643 HZ2 LYS 84 1HZ LYS 84 -5.157 4.586 -14.479 644 HZ3 LYS 84 2HZ LYS 84 -6.830 4.829 -14.430 645 H SER 85 H SER 85 -3.485 8.970 -9.703 646 HA SER 85 HA SER 85 -5.883 9.552 -8.583 647 HB2 SER 85 1HB SER 85 -3.155 9.282 -7.354 648 HB3 SER 85 2HB SER 85 -4.553 9.642 -6.342 649 HG SER 85 HG SER 85 -4.496 7.473 -6.383 650 H GLY 86 H GLY 86 -3.006 11.640 -8.461 651 HA2 GLY 86 1HA GLY 86 -3.331 14.039 -8.772 652 HA3 GLY 86 2HA GLY 86 -4.812 13.893 -7.836 653 H ASN 87 H ASN 87 -3.909 15.657 -6.566 654 HA ASN 87 HA ASN 87 -1.530 15.516 -5.119 655 HB2 ASN 87 1HB ASN 87 -4.094 16.855 -4.231 656 HB3 ASN 87 2HB ASN 87 -2.462 17.247 -3.696 657 HD21 ASN 87 1HD2 ASN 87 -1.383 18.760 -4.759 658 HD22 ASN 87 2HD2 ASN 87 -1.843 19.440 -6.279 659 H SER 88 H SER 88 -4.824 14.644 -4.078 660 HA SER 88 HA SER 88 -3.742 13.350 -1.702 661 HB2 SER 88 1HB SER 88 -6.070 13.118 -0.998 662 HB3 SER 88 2HB SER 88 -5.753 14.780 -1.498 663 HG SER 88 HG SER 88 -6.545 13.795 -3.664 664 H VAL 89 H VAL 89 -3.530 11.211 -1.454 665 HA VAL 89 HA VAL 89 -4.875 9.412 -3.341 666 HB VAL 89 HB VAL 89 -1.970 9.054 -2.623 667 HG11 VAL 89 1HG1 VAL 89 -3.797 7.277 -3.618 668 HG12 VAL 89 2HG1 VAL 89 -3.025 7.886 -5.084 669 HG13 VAL 89 3HG1 VAL 89 -2.048 7.157 -3.808 670 HG21 VAL 89 3HG2 VAL 89 -2.005 11.063 -3.881 671 HG22 VAL 89 1HG2 VAL 89 -1.549 9.782 -5.004 672 HG23 VAL 89 2HG2 VAL 89 -3.194 10.417 -5.012 673 H THR 90 H THR 90 -5.519 7.489 -2.489 674 HA THR 90 HA THR 90 -5.179 7.179 0.401 675 HB THR 90 HB THR 90 -7.102 5.806 -1.487 676 HG1 THR 90 1HG THR 90 -7.628 7.754 0.523 677 HG21 THR 90 3HG2 THR 90 -6.271 4.702 0.782 678 HG22 THR 90 1HG2 THR 90 -7.954 4.608 0.265 679 HG23 THR 90 2HG2 THR 90 -7.466 5.806 1.463 680 H LEU 91 H LEU 91 -4.102 5.523 1.309 681 HA LEU 91 HA LEU 91 -3.252 3.294 -0.407 682 HB2 LEU 91 1HB LEU 91 -1.485 4.710 1.581 683 HB3 LEU 91 2HB LEU 91 -1.035 3.342 0.566 684 HG LEU 91 HG LEU 91 -1.918 5.890 -0.719 685 HD11 LEU 91 1HD1 LEU 91 -0.088 6.196 1.136 686 HD12 LEU 91 2HD1 LEU 91 0.076 6.978 -0.436 687 HD13 LEU 91 3HD1 LEU 91 0.966 5.494 -0.092 688 HD21 LEU 91 3HD2 LEU 91 -0.792 5.096 -2.563 689 HD22 LEU 91 1HD2 LEU 91 -1.367 3.595 -1.837 690 HD23 LEU 91 2HD2 LEU 91 0.305 4.103 -1.602 691 H LEU 92 H LEU 92 -2.869 1.318 0.668 692 HA LEU 92 HA LEU 92 -3.976 1.195 3.397 693 HB2 LEU 92 1HB LEU 92 -4.331 -0.617 1.039 694 HB3 LEU 92 2HB LEU 92 -4.545 -1.222 2.680 695 HG LEU 92 HG LEU 92 -6.122 1.028 1.432 696 HD11 LEU 92 1HD1 LEU 92 -7.817 -0.442 0.978 697 HD12 LEU 92 2HD1 LEU 92 -7.281 -1.609 2.186 698 HD13 LEU 92 3HD1 LEU 92 -6.414 -1.461 0.658 699 HD21 LEU 92 3HD2 LEU 92 -6.533 1.551 3.564 700 HD22 LEU 92 1HD2 LEU 92 -5.826 0.049 4.162 701 HD23 LEU 92 2HD2 LEU 92 -7.501 0.076 3.608 702 H VAL 93 H VAL 93 -2.348 0.876 4.767 703 HA VAL 93 HA VAL 93 -0.154 -0.916 3.975 704 HB VAL 93 HB VAL 93 1.172 0.112 5.735 705 HG11 VAL 93 1HG1 VAL 93 1.362 2.374 4.806 706 HG12 VAL 93 2HG1 VAL 93 1.199 1.157 3.538 707 HG13 VAL 93 3HG1 VAL 93 -0.183 2.161 3.983 708 HG21 VAL 93 3HG2 VAL 93 -1.324 1.704 6.307 709 HG22 VAL 93 1HG2 VAL 93 -0.503 0.574 7.384 710 HG23 VAL 93 2HG2 VAL 93 0.271 2.097 6.949 711 H LEU 94 H LEU 94 0.100 -2.821 4.953 712 HA LEU 94 HA LEU 94 -1.601 -3.415 7.276 713 HB2 LEU 94 1HB LEU 94 -1.823 -4.741 5.123 714 HB3 LEU 94 2HB LEU 94 -0.237 -5.415 5.492 715 HG LEU 94 HG LEU 94 -1.224 -6.253 7.656 716 HD11 LEU 94 1HD1 LEU 94 -3.439 -6.101 8.136 717 HD12 LEU 94 2HD1 LEU 94 -3.918 -6.032 6.440 718 HD13 LEU 94 3HD1 LEU 94 -3.257 -4.600 7.228 719 HD21 LEU 94 3HD2 LEU 94 -0.837 -7.771 5.841 720 HD22 LEU 94 1HD2 LEU 94 -2.314 -7.251 5.030 721 HD23 LEU 94 2HD2 LEU 94 -2.410 -8.139 6.551 722 H ASP 95 H ASP 95 -0.750 -4.616 9.028 723 HA ASP 95 HA ASP 95 1.887 -3.870 9.773 724 HB2 ASP 95 1HB ASP 95 0.136 -5.949 11.094 725 HB3 ASP 95 2HB ASP 95 1.466 -5.057 11.828 726 H GLY 96 H GLY 96 3.748 -5.083 9.965 727 HA2 GLY 96 1HA GLY 96 4.377 -6.940 8.046 728 HA3 GLY 96 2HA GLY 96 5.230 -6.801 9.577 729 H ASP 97 H ASP 97 3.963 -7.845 11.469 730 HA ASP 97 HA ASP 97 3.960 -10.550 11.236 731 HB2 ASP 97 1HB ASP 97 2.044 -9.017 13.005 732 HB3 ASP 97 2HB ASP 97 2.636 -10.656 13.266 733 H SER 98 H SER 98 1.014 -8.545 11.063 734 HA SER 98 HA SER 98 -0.832 -10.498 10.504 735 HB2 SER 98 1HB SER 98 -1.844 -8.452 10.776 736 HB3 SER 98 2HB SER 98 -0.622 -7.601 9.831 737 HG SER 98 HG SER 98 -2.628 -9.317 8.783 738 H TYR 99 H TYR 99 0.820 -8.522 8.032 739 HA TYR 99 HA TYR 99 -0.040 -9.647 5.742 740 HB2 TYR 99 1HB TYR 99 1.794 -7.859 6.125 741 HB3 TYR 99 2HB TYR 99 2.914 -9.217 6.099 742 HD1 TYR 99 2HD TYR 99 2.844 -10.749 4.026 743 HD2 TYR 99 1HD TYR 99 1.112 -6.864 4.129 744 HE1 TYR 99 2HE TYR 99 2.888 -10.671 1.568 745 HE2 TYR 99 1HE TYR 99 1.150 -6.776 1.671 746 HH TYR 99 HH TYR 99 2.946 -8.782 -0.213 747 H GLU 100 H GLU 100 2.629 -10.948 7.707 748 HA GLU 100 HA GLU 100 3.108 -13.211 6.102 749 HB2 GLU 100 1HB GLU 100 3.615 -12.840 9.059 750 HB3 GLU 100 2HB GLU 100 4.314 -14.102 8.054 751 HG2 GLU 100 1HG GLU 100 5.453 -12.398 6.717 752 HG3 GLU 100 2HG GLU 100 4.767 -11.142 7.746 753 H LYS 101 H LYS 101 1.023 -12.701 8.910 754 HA LYS 101 HA LYS 101 0.235 -15.278 9.463 755 HB2 LYS 101 1HB LYS 101 -0.456 -12.938 10.487 756 HB3 LYS 101 2HB LYS 101 -1.851 -13.140 9.435 757 HG2 LYS 101 1HG LYS 101 -2.441 -13.970 11.577 758 HG3 LYS 101 2HG LYS 101 -2.236 -15.363 10.511 759 HD2 LYS 101 1HD LYS 101 -0.148 -15.911 11.468 760 HD3 LYS 101 2HD LYS 101 -0.027 -14.351 12.284 761 HE2 LYS 101 1HE LYS 101 -0.603 -16.114 13.862 762 HE3 LYS 101 2HE LYS 101 -1.919 -14.951 13.712 763 HZ1 LYS 101 3HZ LYS 101 -2.484 -17.430 13.685 764 HZ2 LYS 101 1HZ LYS 101 -1.891 -17.423 12.100 765 HZ3 LYS 101 2HZ LYS 101 -3.206 -16.443 12.515 766 H ALA 102 H ALA 102 -1.089 -13.084 7.011 767 HA ALA 102 HA ALA 102 -3.145 -14.767 6.100 768 HB1 ALA 102 3HB ALA 102 -1.881 -12.297 5.238 769 HB2 ALA 102 1HB ALA 102 -2.397 -13.304 3.885 770 HB3 ALA 102 2HB ALA 102 -3.563 -12.812 5.114 771 H VAL 103 H VAL 103 -0.051 -14.082 4.451 772 HA VAL 103 HA VAL 103 -0.125 -15.947 2.477 773 HB VAL 103 HB VAL 103 2.305 -15.247 4.131 774 HG11 VAL 103 1HG1 VAL 103 3.503 -15.820 1.970 775 HG12 VAL 103 2HG1 VAL 103 2.862 -17.178 2.897 776 HG13 VAL 103 3HG1 VAL 103 2.006 -16.604 1.465 777 HG21 VAL 103 3HG2 VAL 103 2.700 -13.473 2.640 778 HG22 VAL 103 1HG2 VAL 103 1.505 -14.066 1.487 779 HG23 VAL 103 2HG2 VAL 103 0.981 -13.372 3.021 780 H LYS 104 H LYS 104 1.145 -16.517 5.757 781 HA LYS 104 HA LYS 104 1.785 -19.210 5.448 782 HB2 LYS 104 1HB LYS 104 2.487 -17.864 7.378 783 HB3 LYS 104 2HB LYS 104 0.821 -17.786 7.936 784 HG2 LYS 104 1HG LYS 104 1.724 -19.452 9.252 785 HG3 LYS 104 2HG LYS 104 0.951 -20.366 7.955 786 HD2 LYS 104 1HD LYS 104 2.981 -21.401 7.959 787 HD3 LYS 104 2HD LYS 104 3.350 -20.079 6.848 788 HE2 LYS 104 1HE LYS 104 3.741 -19.586 9.747 789 HE3 LYS 104 2HE LYS 104 4.885 -20.662 8.945 790 HZ1 LYS 104 3HZ LYS 104 4.338 -18.221 7.507 791 HZ2 LYS 104 1HZ LYS 104 5.816 -18.973 7.842 792 HZ3 LYS 104 2HZ LYS 104 5.088 -17.984 9.005 793 H ASN 105 H ASN 105 -1.262 -17.692 6.420 794 HA ASN 105 HA ASN 105 -2.560 -20.308 6.524 795 HB2 ASN 105 1HB ASN 105 -3.721 -17.584 7.144 796 HB3 ASN 105 2HB ASN 105 -4.455 -19.145 7.501 797 HD21 ASN 105 1HD2 ASN 105 -3.231 -16.705 9.023 798 HD22 ASN 105 2HD2 ASN 105 -2.352 -17.471 10.298 799 H GLN 106 H GLN 106 -1.642 -18.846 4.031 800 HA GLN 106 HA GLN 106 -2.449 -18.204 1.970 801 HB2 GLN 106 1HB GLN 106 -3.909 -20.751 2.643 802 HB3 GLN 106 2HB GLN 106 -4.036 -19.993 1.061 803 HG2 GLN 106 1HG GLN 106 -1.672 -20.241 0.698 804 HG3 GLN 106 2HG GLN 106 -1.452 -20.863 2.332 805 HE21 GLN 106 1HE2 GLN 106 -1.693 -22.981 2.694 806 HE22 GLN 106 2HE2 GLN 106 -2.211 -24.133 1.515 807 H VAL 107 H VAL 107 -3.680 -16.656 3.899 808 HA VAL 107 HA VAL 107 -6.537 -16.691 3.533 809 HB VAL 107 HB VAL 107 -4.758 -14.619 4.826 810 HG11 VAL 107 1HG1 VAL 107 -6.705 -13.461 4.265 811 HG12 VAL 107 2HG1 VAL 107 -7.738 -14.855 4.586 812 HG13 VAL 107 3HG1 VAL 107 -6.989 -13.984 5.925 813 HG21 VAL 107 3HG2 VAL 107 -4.745 -15.895 6.648 814 HG22 VAL 107 1HG2 VAL 107 -6.500 -16.069 6.597 815 HG23 VAL 107 2HG2 VAL 107 -5.477 -17.183 5.690 816 H ASP 108 H ASP 108 -7.775 -15.327 2.308 817 HA ASP 108 HA ASP 108 -6.601 -14.250 -0.043 818 HB2 ASP 108 1HB ASP 108 -9.387 -13.833 1.063 819 HB3 ASP 108 2HB ASP 108 -8.867 -13.484 -0.584 820 H LEU 109 H LEU 109 -5.460 -12.437 -0.119 821 HA LEU 109 HA LEU 109 -5.744 -10.386 1.884 822 HB2 LEU 109 1HB LEU 109 -4.015 -10.636 -0.566 823 HB3 LEU 109 2HB LEU 109 -3.986 -9.231 0.497 824 HG LEU 109 HG LEU 109 -3.348 -12.036 1.400 825 HD11 LEU 109 1HD1 LEU 109 -1.702 -11.404 -0.227 826 HD12 LEU 109 2HD1 LEU 109 -0.992 -11.262 1.381 827 HD13 LEU 109 3HD1 LEU 109 -1.513 -9.816 0.517 828 HD21 LEU 109 3HD2 LEU 109 -4.141 -10.330 3.083 829 HD22 LEU 109 1HD2 LEU 109 -2.684 -9.410 2.709 830 HD23 LEU 109 2HD2 LEU 109 -2.552 -11.032 3.389 831 H LYS 110 H LYS 110 -6.735 -10.897 -1.423 832 HA LYS 110 HA LYS 110 -7.290 -8.347 -2.292 833 HB2 LYS 110 1HB LYS 110 -8.904 -10.863 -2.738 834 HB3 LYS 110 2HB LYS 110 -9.102 -9.377 -3.658 835 HG2 LYS 110 1HG LYS 110 -6.736 -9.575 -4.380 836 HG3 LYS 110 2HG LYS 110 -6.664 -11.140 -3.567 837 HD2 LYS 110 1HD LYS 110 -7.108 -11.607 -5.842 838 HD3 LYS 110 2HD LYS 110 -8.643 -11.820 -4.996 839 HE2 LYS 110 1HE LYS 110 -9.498 -9.793 -5.815 840 HE3 LYS 110 2HE LYS 110 -7.904 -9.219 -6.302 841 HZ1 LYS 110 3HZ LYS 110 -8.205 -10.105 -8.293 842 HZ2 LYS 110 1HZ LYS 110 -9.770 -10.571 -7.853 843 HZ3 LYS 110 2HZ LYS 110 -8.476 -11.636 -7.628 844 H GLU 111 H GLU 111 -8.971 -10.246 0.095 845 HA GLU 111 HA GLU 111 -11.373 -8.742 0.154 846 HB2 GLU 111 1HB GLU 111 -10.102 -10.395 2.344 847 HB3 GLU 111 2HB GLU 111 -11.768 -9.833 2.317 848 HG2 GLU 111 1HG GLU 111 -10.513 -11.757 0.373 849 HG3 GLU 111 2HG GLU 111 -11.625 -12.166 1.678 850 H LEU 112 H LEU 112 -8.341 -8.537 1.962 851 HA LEU 112 HA LEU 112 -8.853 -6.787 3.944 852 HB2 LEU 112 1HB LEU 112 -6.534 -6.476 2.046 853 HB3 LEU 112 2HB LEU 112 -6.610 -5.925 3.718 854 HG LEU 112 HG LEU 112 -6.678 -8.821 2.876 855 HD11 LEU 112 1HD1 LEU 112 -4.448 -6.953 3.343 856 HD12 LEU 112 2HD1 LEU 112 -4.513 -8.432 2.385 857 HD13 LEU 112 3HD1 LEU 112 -4.323 -8.523 4.136 858 HD21 LEU 112 3HD2 LEU 112 -6.012 -9.062 5.334 859 HD22 LEU 112 1HD2 LEU 112 -7.692 -8.661 4.978 860 HD23 LEU 112 2HD2 LEU 112 -6.581 -7.403 5.520 861 H ASP 113 H ASP 113 -10.253 -5.142 3.857 862 HA ASP 113 HA ASP 113 -9.601 -2.853 2.217 863 HB2 ASP 113 1HB ASP 113 -12.082 -4.486 1.779 864 HB3 ASP 113 2HB ASP 113 -12.092 -2.752 1.470 865 H GLN 114 H GLN 114 -9.531 -1.345 3.750 866 HA GLN 114 HA GLN 114 -10.530 -1.270 6.236 867 HB2 GLN 114 1HB GLN 114 -10.412 1.118 6.195 868 HB3 GLN 114 2HB GLN 114 -9.142 0.508 5.143 869 HG2 GLN 114 1HG GLN 114 -11.809 1.340 4.064 870 HG3 GLN 114 2HG GLN 114 -10.513 2.502 4.339 871 HE21 GLN 114 1HE2 GLN 114 -8.607 2.338 3.116 872 HE22 GLN 114 2HE2 GLN 114 -8.571 1.485 1.615 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -16.485 -19.820 31.965 2 HA2 GLY 1 1HA GLY 1 -14.492 -21.092 33.597 3 HA3 GLY 1 2HA GLY 1 -14.364 -21.540 31.903 4 H SER 2 H SER 2 -14.293 -19.670 30.347 5 HA SER 2 HA SER 2 -13.332 -17.156 31.378 6 HB2 SER 2 1HB SER 2 -11.441 -18.914 29.796 7 HB3 SER 2 2HB SER 2 -11.121 -17.266 30.336 8 HG SER 2 HG SER 2 -10.834 -19.581 31.681 9 H SER 3 H SER 3 -12.433 -15.823 29.398 10 HA SER 3 HA SER 3 -14.536 -15.923 27.402 11 HB2 SER 3 1HB SER 3 -13.924 -13.717 26.833 12 HB3 SER 3 2HB SER 3 -13.682 -13.799 28.578 13 HG SER 3 HG SER 3 -11.906 -13.197 26.696 14 H GLY 4 H GLY 4 -13.789 -15.290 25.085 15 HA2 GLY 4 1HA GLY 4 -11.274 -16.069 24.114 16 HA3 GLY 4 2HA GLY 4 -12.343 -17.462 24.036 17 H SER 5 H SER 5 -11.125 -15.064 22.233 18 HA SER 5 HA SER 5 -13.542 -14.402 20.758 19 HB2 SER 5 1HB SER 5 -12.130 -12.905 19.468 20 HB3 SER 5 2HB SER 5 -11.793 -12.679 21.184 21 HG SER 5 HG SER 5 -10.251 -14.113 19.286 22 H SER 6 H SER 6 -13.321 -14.484 18.286 23 HA SER 6 HA SER 6 -12.133 -17.066 17.504 24 HB2 SER 6 1HB SER 6 -14.555 -17.297 17.627 25 HB3 SER 6 2HB SER 6 -14.768 -15.880 16.600 26 HG SER 6 HG SER 6 -13.591 -18.359 15.881 27 H GLY 7 H GLY 7 -10.815 -17.035 15.791 28 HA2 GLY 7 1HA GLY 7 -11.105 -15.078 13.687 29 HA3 GLY 7 2HA GLY 7 -9.687 -14.829 14.695 30 H MET 8 H MET 8 -11.284 -17.077 12.505 31 HA MET 8 HA MET 8 -8.737 -18.509 12.174 32 HB2 MET 8 1HB MET 8 -11.545 -19.331 11.410 33 HB3 MET 8 2HB MET 8 -10.099 -20.287 11.113 34 HG2 MET 8 1HG MET 8 -10.813 -21.263 13.032 35 HG3 MET 8 2HG MET 8 -9.788 -20.000 13.710 36 HE1 MET 8 3HE MET 8 -10.689 -20.497 15.744 37 HE2 MET 8 1HE MET 8 -11.761 -19.266 16.413 38 HE3 MET 8 2HE MET 8 -12.388 -20.870 16.035 39 H ALA 9 H ALA 9 -7.769 -16.988 10.792 40 HA ALA 9 HA ALA 9 -7.197 -16.066 8.791 41 HB1 ALA 9 3HB ALA 9 -7.493 -18.547 8.195 42 HB2 ALA 9 1HB ALA 9 -9.001 -18.040 7.434 43 HB3 ALA 9 2HB ALA 9 -7.464 -17.374 6.879 44 H SER 10 H SER 10 -9.242 -14.766 10.125 45 HA SER 10 HA SER 10 -11.372 -14.198 8.245 46 HB2 SER 10 1HB SER 10 -10.751 -13.458 11.062 47 HB3 SER 10 2HB SER 10 -11.770 -12.354 10.139 48 HG SER 10 HG SER 10 -12.530 -14.926 9.779 49 H THR 11 H THR 11 -11.897 -11.786 7.917 50 HA THR 11 HA THR 11 -9.805 -10.639 6.403 51 HB THR 11 HB THR 11 -11.297 -8.689 6.147 52 HG1 THR 11 1HG THR 11 -12.200 -9.274 8.449 53 HG21 THR 11 3HG2 THR 11 -11.907 -11.412 5.458 54 HG22 THR 11 1HG2 THR 11 -12.182 -9.940 4.528 55 HG23 THR 11 2HG2 THR 11 -13.397 -10.495 5.679 56 H PHE 12 H PHE 12 -8.000 -9.982 7.422 57 HA PHE 12 HA PHE 12 -7.766 -8.998 10.000 58 HB2 PHE 12 1HB PHE 12 -6.076 -8.599 7.540 59 HB3 PHE 12 2HB PHE 12 -5.631 -7.890 9.089 60 HD1 PHE 12 2HD PHE 12 -6.394 -11.119 7.431 61 HD2 PHE 12 1HD PHE 12 -4.484 -9.142 10.681 62 HE1 PHE 12 2HE PHE 12 -5.324 -13.236 8.085 63 HE2 PHE 12 1HE PHE 12 -3.410 -11.256 11.340 64 HZ PHE 12 HZ PHE 12 -3.830 -13.306 10.042 65 H ASN 13 H ASN 13 -6.934 -6.720 10.522 66 HA ASN 13 HA ASN 13 -8.803 -4.790 9.325 67 HB2 ASN 13 1HB ASN 13 -7.424 -4.597 12.009 68 HB3 ASN 13 2HB ASN 13 -8.726 -3.574 11.408 69 HD21 ASN 13 1HD2 ASN 13 -10.563 -5.208 10.466 70 HD22 ASN 13 2HD2 ASN 13 -11.134 -6.301 11.676 71 HA PRO 14 HA PRO 14 -4.741 -3.329 7.784 72 HB2 PRO 14 1HB PRO 14 -5.760 -2.264 5.504 73 HB3 PRO 14 2HB PRO 14 -5.338 -3.974 5.660 74 HG2 PRO 14 1HG PRO 14 -8.018 -2.658 5.873 75 HG3 PRO 14 2HG PRO 14 -7.573 -4.163 5.048 76 HD2 PRO 14 1HD PRO 14 -8.750 -4.131 7.486 77 HD3 PRO 14 2HD PRO 14 -7.592 -5.387 7.001 78 H ARG 15 H ARG 15 -3.931 -1.205 7.525 79 HA ARG 15 HA ARG 15 -5.620 0.837 8.769 80 HB2 ARG 15 1HB ARG 15 -2.665 0.441 8.504 81 HB3 ARG 15 2HB ARG 15 -3.296 2.059 8.777 82 HG2 ARG 15 1HG ARG 15 -4.207 1.465 10.864 83 HG3 ARG 15 2HG ARG 15 -4.005 -0.259 10.546 84 HD2 ARG 15 1HD ARG 15 -2.197 0.080 11.890 85 HD3 ARG 15 2HD ARG 15 -1.465 0.454 10.330 86 HE ARG 15 HE ARG 15 -1.263 2.642 10.983 87 HH11 ARG 15 1HH1 ARG 15 -3.419 0.984 13.156 88 HH12 ARG 15 2HH1 ARG 15 -3.502 2.297 14.284 89 HH21 ARG 15 1HH2 ARG 15 -1.364 4.377 12.460 90 HH22 ARG 15 2HH2 ARG 15 -2.333 4.227 13.886 91 H GLU 16 H GLU 16 -5.780 2.949 7.902 92 HA GLU 16 HA GLU 16 -5.403 3.031 4.987 93 HB2 GLU 16 1HB GLU 16 -7.728 3.288 6.078 94 HB3 GLU 16 2HB GLU 16 -7.177 4.890 6.548 95 HG2 GLU 16 1HG GLU 16 -6.912 5.550 4.277 96 HG3 GLU 16 2HG GLU 16 -7.187 3.904 3.709 97 H CYS 17 H CYS 17 -4.745 5.041 4.011 98 HA CYS 17 HA CYS 17 -3.442 6.969 5.776 99 HB2 CYS 17 1HB CYS 17 -1.997 5.588 3.504 100 HB3 CYS 17 2HB CYS 17 -1.347 6.878 4.507 101 HG CYS 17 HG CYS 17 -0.054 4.929 5.696 102 H LYS 18 H LYS 18 -4.013 8.938 5.168 103 HA LYS 18 HA LYS 18 -4.822 9.373 2.373 104 HB2 LYS 18 1HB LYS 18 -5.681 10.615 4.965 105 HB3 LYS 18 2HB LYS 18 -5.886 11.495 3.456 106 HG2 LYS 18 1HG LYS 18 -7.055 9.318 2.653 107 HG3 LYS 18 2HG LYS 18 -7.211 8.986 4.380 108 HD2 LYS 18 1HD LYS 18 -8.143 11.415 4.486 109 HD3 LYS 18 2HD LYS 18 -8.410 11.194 2.755 110 HE2 LYS 18 1HE LYS 18 -9.877 9.382 3.114 111 HE3 LYS 18 2HE LYS 18 -9.385 9.217 4.798 112 HZ1 LYS 18 3HZ LYS 18 -10.861 11.537 3.677 113 HZ2 LYS 18 1HZ LYS 18 -10.442 11.309 5.300 114 HZ3 LYS 18 2HZ LYS 18 -11.560 10.277 4.563 115 H LEU 19 H LEU 19 -2.994 10.007 1.346 116 HA LEU 19 HA LEU 19 -1.230 11.965 2.576 117 HB2 LEU 19 1HB LEU 19 -1.121 10.254 0.131 118 HB3 LEU 19 2HB LEU 19 -0.067 11.661 0.258 119 HG LEU 19 HG LEU 19 0.655 10.598 2.516 120 HD11 LEU 19 1HD1 LEU 19 -0.050 8.038 1.158 121 HD12 LEU 19 2HD1 LEU 19 -1.244 8.843 2.175 122 HD13 LEU 19 3HD1 LEU 19 0.307 8.352 2.857 123 HD21 LEU 19 3HD2 LEU 19 1.755 10.685 0.057 124 HD22 LEU 19 1HD2 LEU 19 1.660 8.940 0.297 125 HD23 LEU 19 2HD2 LEU 19 2.534 9.943 1.455 126 H SER 20 H SER 20 -0.797 14.008 1.733 127 HA SER 20 HA SER 20 -2.524 14.969 -0.429 128 HB2 SER 20 1HB SER 20 -3.322 16.840 0.803 129 HB3 SER 20 2HB SER 20 -3.553 15.444 1.855 130 HG SER 20 HG SER 20 -2.438 16.557 3.239 131 H LYS 21 H LYS 21 -1.525 16.318 -1.800 132 HA LYS 21 HA LYS 21 0.846 17.783 -0.952 133 HB2 LYS 21 1HB LYS 21 2.297 16.900 -2.596 134 HB3 LYS 21 2HB LYS 21 1.547 15.503 -1.835 135 HG2 LYS 21 1HG LYS 21 0.180 15.084 -3.687 136 HG3 LYS 21 2HG LYS 21 0.460 16.689 -4.365 137 HD2 LYS 21 1HD LYS 21 2.784 16.111 -4.813 138 HD3 LYS 21 2HD LYS 21 2.541 14.519 -4.088 139 HE2 LYS 21 1HE LYS 21 0.874 14.003 -5.813 140 HE3 LYS 21 2HE LYS 21 1.142 15.587 -6.540 141 HZ1 LYS 21 3HZ LYS 21 3.365 13.678 -6.169 142 HZ2 LYS 21 1HZ LYS 21 3.269 14.997 -7.225 143 HZ3 LYS 21 2HZ LYS 21 2.364 13.601 -7.531 144 H GLN 22 H GLN 22 1.729 18.868 -3.199 145 HA GLN 22 HA GLN 22 -0.566 20.419 -4.124 146 HB2 GLN 22 1HB GLN 22 2.411 20.878 -4.326 147 HB3 GLN 22 2HB GLN 22 1.216 21.928 -5.076 148 HG2 GLN 22 1HG GLN 22 0.235 22.289 -2.805 149 HG3 GLN 22 2HG GLN 22 1.612 21.411 -2.142 150 HE21 GLN 22 1HE2 GLN 22 1.043 24.001 -4.506 151 HE22 GLN 22 2HE2 GLN 22 2.286 25.046 -3.914 152 H GLU 23 H GLU 23 -0.228 21.259 -6.497 153 HA GLU 23 HA GLU 23 -0.210 18.878 -8.162 154 HB2 GLU 23 1HB GLU 23 -2.037 20.162 -8.734 155 HB3 GLU 23 2HB GLU 23 -1.190 21.679 -8.463 156 HG2 GLU 23 1HG GLU 23 -0.265 21.701 -10.550 157 HG3 GLU 23 2HG GLU 23 -0.305 19.946 -10.708 158 H GLY 24 H GLY 24 1.952 18.329 -8.367 159 HA2 GLY 24 1HA GLY 24 3.626 18.528 -10.163 160 HA3 GLY 24 2HA GLY 24 3.580 20.265 -9.896 161 H GLN 25 H GLN 25 3.437 18.252 -7.113 162 HA GLN 25 HA GLN 25 6.294 18.751 -6.597 163 HB2 GLN 25 1HB GLN 25 4.420 20.100 -5.300 164 HB3 GLN 25 2HB GLN 25 4.353 18.631 -4.334 165 HG2 GLN 25 1HG GLN 25 6.771 18.842 -3.904 166 HG3 GLN 25 2HG GLN 25 6.771 20.361 -4.798 167 HE21 GLN 25 1HE2 GLN 25 7.584 20.114 -2.135 168 HE22 GLN 25 2HE2 GLN 25 6.484 21.002 -1.142 169 H ASN 26 H ASN 26 7.233 17.294 -4.937 170 HA ASN 26 HA ASN 26 6.413 14.569 -5.483 171 HB2 ASN 26 1HB ASN 26 8.755 15.669 -3.912 172 HB3 ASN 26 2HB ASN 26 8.492 13.964 -4.266 173 HD21 ASN 26 1HD2 ASN 26 7.985 13.651 -6.733 174 HD22 ASN 26 2HD2 ASN 26 9.132 14.397 -7.788 175 H TYR 27 H TYR 27 6.572 12.992 -3.569 176 HA TYR 27 HA TYR 27 4.878 14.058 -1.422 177 HB2 TYR 27 1HB TYR 27 5.141 11.405 -2.742 178 HB3 TYR 27 2HB TYR 27 4.701 11.417 -1.037 179 HD1 TYR 27 2HD TYR 27 2.723 13.029 -0.406 180 HD2 TYR 27 1HD TYR 27 3.467 11.567 -4.332 181 HE1 TYR 27 2HE TYR 27 0.381 13.475 -1.009 182 HE2 TYR 27 1HE TYR 27 1.127 12.010 -4.947 183 HH TYR 27 HH TYR 27 -0.850 12.745 -4.263 184 H GLY 28 H GLY 28 7.742 12.043 -1.984 185 HA2 GLY 28 1HA GLY 28 9.626 12.595 -0.426 186 HA3 GLY 28 2HA GLY 28 8.444 12.417 0.863 187 H PHE 29 H PHE 29 7.159 10.117 -0.457 188 HA PHE 29 HA PHE 29 9.198 8.107 0.221 189 HB2 PHE 29 1HB PHE 29 7.568 6.786 1.171 190 HB3 PHE 29 2HB PHE 29 6.898 8.382 1.492 191 HD1 PHE 29 1HD PHE 29 5.234 9.305 -0.255 192 HD2 PHE 29 2HD PHE 29 6.293 5.196 0.084 193 HE1 PHE 29 1HE PHE 29 3.170 8.679 -1.441 194 HE2 PHE 29 2HE PHE 29 4.232 4.564 -1.102 195 HZ PHE 29 HZ PHE 29 2.668 6.305 -1.866 196 H PHE 30 H PHE 30 9.273 6.150 -1.002 197 HA PHE 30 HA PHE 30 7.979 6.250 -3.633 198 HB2 PHE 30 1HB PHE 30 10.908 5.611 -3.237 199 HB3 PHE 30 2HB PHE 30 10.044 5.687 -4.769 200 HD1 PHE 30 1HD PHE 30 8.788 8.024 -5.138 201 HD2 PHE 30 2HD PHE 30 12.214 7.406 -2.689 202 HE1 PHE 30 1HE PHE 30 9.362 10.408 -5.345 203 HE2 PHE 30 2HE PHE 30 12.793 9.789 -2.891 204 HZ PHE 30 HZ PHE 30 11.366 11.294 -4.220 205 H LEU 31 H LEU 31 7.510 4.266 -4.545 206 HA LEU 31 HA LEU 31 7.306 2.071 -2.716 207 HB2 LEU 31 1HB LEU 31 6.669 2.282 -5.654 208 HB3 LEU 31 2HB LEU 31 6.288 0.889 -4.644 209 HG LEU 31 HG LEU 31 5.230 3.557 -3.845 210 HD11 LEU 31 1HD1 LEU 31 3.553 3.636 -5.401 211 HD12 LEU 31 2HD1 LEU 31 3.654 1.913 -5.763 212 HD13 LEU 31 3HD1 LEU 31 4.876 3.019 -6.389 213 HD21 LEU 31 3HD2 LEU 31 4.520 0.681 -3.505 214 HD22 LEU 31 1HD2 LEU 31 3.253 1.902 -3.391 215 HD23 LEU 31 2HD2 LEU 31 4.638 1.965 -2.300 216 H ARG 32 H ARG 32 8.882 0.686 -2.296 217 HA ARG 32 HA ARG 32 10.819 0.067 -4.430 218 HB2 ARG 32 1HB ARG 32 11.197 0.312 -1.450 219 HB3 ARG 32 2HB ARG 32 12.357 -0.525 -2.473 220 HG2 ARG 32 1HG ARG 32 11.520 2.335 -2.883 221 HG3 ARG 32 2HG ARG 32 12.937 1.840 -1.955 222 HD2 ARG 32 1HD ARG 32 13.442 0.479 -4.176 223 HD3 ARG 32 2HD ARG 32 12.449 1.752 -4.884 224 HE ARG 32 HE ARG 32 14.172 3.219 -4.562 225 HH11 ARG 32 1HH1 ARG 32 14.712 0.391 -2.605 226 HH12 ARG 32 2HH1 ARG 32 16.304 0.872 -2.118 227 HH21 ARG 32 1HH2 ARG 32 16.267 3.863 -3.929 228 HH22 ARG 32 2HH2 ARG 32 17.187 2.847 -2.871 229 H ILE 33 H ILE 33 11.016 -1.998 -5.034 230 HA ILE 33 HA ILE 33 9.460 -4.005 -3.571 231 HB ILE 33 HB ILE 33 9.658 -5.389 -5.583 232 HG12 ILE 33 1HG1 ILE 33 10.939 -3.053 -6.983 233 HG13 ILE 33 2HG1 ILE 33 11.916 -4.294 -6.205 234 HG21 ILE 33 1HG2 ILE 33 7.926 -3.485 -5.237 235 HG22 ILE 33 2HG2 ILE 33 8.797 -2.696 -6.551 236 HG23 ILE 33 3HG2 ILE 33 8.049 -4.272 -6.810 237 HD11 ILE 33 3HD1 ILE 33 11.697 -4.762 -8.554 238 HD12 ILE 33 1HD1 ILE 33 10.840 -5.989 -7.622 239 HD13 ILE 33 2HD1 ILE 33 9.939 -4.708 -8.433 240 H GLU 34 H GLU 34 10.338 -6.095 -3.147 241 HA GLU 34 HA GLU 34 13.280 -6.186 -3.073 242 HB2 GLU 34 1HB GLU 34 12.007 -5.750 -0.839 243 HB3 GLU 34 2HB GLU 34 11.618 -7.462 -0.928 244 HG2 GLU 34 1HG GLU 34 13.588 -7.005 0.458 245 HG3 GLU 34 2HG GLU 34 13.951 -8.045 -0.918 246 H LYS 35 H LYS 35 14.142 -7.933 -3.981 247 HA LYS 35 HA LYS 35 12.741 -9.810 -5.421 248 HB2 LYS 35 1HB LYS 35 15.257 -9.292 -5.424 249 HB3 LYS 35 2HB LYS 35 15.374 -10.455 -4.110 250 HG2 LYS 35 1HG LYS 35 15.855 -11.757 -5.940 251 HG3 LYS 35 2HG LYS 35 14.123 -12.036 -5.750 252 HD2 LYS 35 1HD LYS 35 14.243 -11.610 -8.004 253 HD3 LYS 35 2HD LYS 35 13.935 -9.987 -7.381 254 HE2 LYS 35 1HE LYS 35 16.525 -9.811 -7.298 255 HE3 LYS 35 2HE LYS 35 16.481 -11.169 -8.421 256 HZ1 LYS 35 3HZ LYS 35 16.050 -8.433 -8.946 257 HZ2 LYS 35 1HZ LYS 35 14.653 -9.298 -9.346 258 HZ3 LYS 35 2HZ LYS 35 16.136 -9.720 -10.040 259 H ASP 36 H ASP 36 11.700 -11.665 -5.002 260 HA ASP 36 HA ASP 36 10.710 -13.356 -3.847 261 HB2 ASP 36 1HB ASP 36 13.327 -13.164 -2.359 262 HB3 ASP 36 2HB ASP 36 12.112 -14.382 -1.978 263 H THR 37 H THR 37 9.793 -10.851 -3.217 264 HA THR 37 HA THR 37 8.945 -11.251 -0.450 265 HB THR 37 HB THR 37 9.754 -8.492 -1.342 266 HG1 THR 37 1HG THR 37 11.615 -9.131 0.209 267 HG21 THR 37 3HG2 THR 37 8.202 -9.004 0.657 268 HG22 THR 37 1HG2 THR 37 9.555 -7.902 0.908 269 HG23 THR 37 2HG2 THR 37 9.667 -9.574 1.455 270 H ASP 38 H ASP 38 6.891 -10.503 -0.001 271 HA ASP 38 HA ASP 38 5.318 -9.729 -2.348 272 HB2 ASP 38 1HB ASP 38 3.376 -10.262 -0.719 273 HB3 ASP 38 2HB ASP 38 4.325 -11.600 -1.360 274 H GLY 39 H GLY 39 3.749 -8.039 -2.215 275 HA2 GLY 39 1HA GLY 39 2.927 -5.992 -1.551 276 HA3 GLY 39 2HA GLY 39 3.612 -6.292 0.039 277 H HIS 40 H HIS 40 3.572 -3.837 -1.586 278 HA HIS 40 HA HIS 40 6.330 -3.437 -2.381 279 HB2 HIS 40 1HB HIS 40 3.830 -1.789 -2.488 280 HB3 HIS 40 2HB HIS 40 5.395 -1.000 -2.655 281 HD1 HIS 40 1HD HIS 40 6.813 -1.633 -4.770 282 HD2 HIS 40 2HD HIS 40 2.972 -3.215 -4.699 283 HE1 HIS 40 1HE HIS 40 6.368 -2.424 -7.115 284 HE2 HIS 40 2HE HIS 40 4.006 -3.299 -7.068 285 H LEU 41 H LEU 41 7.889 -2.686 -1.107 286 HA LEU 41 HA LEU 41 7.168 -1.697 1.552 287 HB2 LEU 41 1HB LEU 41 9.754 -2.706 0.390 288 HB3 LEU 41 2HB LEU 41 9.627 -1.998 1.999 289 HG LEU 41 HG LEU 41 7.831 -3.868 2.357 290 HD11 LEU 41 1HD1 LEU 41 8.141 -4.473 -0.158 291 HD12 LEU 41 2HD1 LEU 41 7.950 -5.752 1.040 292 HD13 LEU 41 3HD1 LEU 41 9.554 -5.354 0.425 293 HD21 LEU 41 3HD2 LEU 41 9.410 -4.534 3.764 294 HD22 LEU 41 1HD2 LEU 41 10.613 -3.627 2.847 295 HD23 LEU 41 2HD2 LEU 41 10.278 -5.310 2.438 296 H ILE 42 H ILE 42 7.543 0.340 2.207 297 HA ILE 42 HA ILE 42 8.379 2.273 0.223 298 HB ILE 42 HB ILE 42 7.404 2.608 3.059 299 HG12 ILE 42 1HG1 ILE 42 5.560 3.825 1.574 300 HG13 ILE 42 2HG1 ILE 42 6.155 2.706 0.352 301 HG21 ILE 42 1HG2 ILE 42 8.336 4.628 1.047 302 HG22 ILE 42 2HG2 ILE 42 7.183 5.049 2.312 303 HG23 ILE 42 3HG2 ILE 42 8.790 4.463 2.743 304 HD11 ILE 42 3HD1 ILE 42 4.789 1.187 1.191 305 HD12 ILE 42 1HD1 ILE 42 5.782 1.168 2.648 306 HD13 ILE 42 2HD1 ILE 42 4.379 2.233 2.551 307 H ARG 43 H ARG 43 10.174 3.576 0.305 308 HA ARG 43 HA ARG 43 12.017 3.377 2.538 309 HB2 ARG 43 1HB ARG 43 12.407 1.521 0.682 310 HB3 ARG 43 2HB ARG 43 13.216 2.848 -0.140 311 HG2 ARG 43 1HG ARG 43 14.961 1.896 0.995 312 HG3 ARG 43 2HG ARG 43 14.446 3.133 2.144 313 HD2 ARG 43 1HD ARG 43 14.634 1.285 3.507 314 HD3 ARG 43 2HD ARG 43 12.924 1.237 3.078 315 HE ARG 43 HE ARG 43 13.303 -0.689 1.876 316 HH11 ARG 43 1HH1 ARG 43 16.338 0.760 2.773 317 HH12 ARG 43 2HH1 ARG 43 17.283 -0.610 2.291 318 HH21 ARG 43 1HH2 ARG 43 14.536 -2.498 1.238 319 HH22 ARG 43 2HH2 ARG 43 16.257 -2.462 1.417 320 H VAL 44 H VAL 44 13.815 4.909 2.355 321 HA VAL 44 HA VAL 44 14.763 6.918 1.811 322 HB VAL 44 HB VAL 44 12.911 7.113 -0.556 323 HG11 VAL 44 1HG1 VAL 44 14.599 8.952 0.401 324 HG12 VAL 44 2HG1 VAL 44 15.718 8.041 -0.615 325 HG13 VAL 44 3HG1 VAL 44 14.269 8.758 -1.321 326 HG21 VAL 44 3HG2 VAL 44 14.476 5.894 -1.886 327 HG22 VAL 44 1HG2 VAL 44 15.611 5.776 -0.541 328 HG23 VAL 44 2HG2 VAL 44 14.081 4.899 -0.484 329 H ILE 45 H ILE 45 12.836 6.878 3.715 330 HA ILE 45 HA ILE 45 10.875 8.944 3.162 331 HB ILE 45 HB ILE 45 11.478 7.410 5.692 332 HG12 ILE 45 1HG1 ILE 45 9.162 7.221 3.753 333 HG13 ILE 45 2HG1 ILE 45 10.501 6.083 3.845 334 HG21 ILE 45 1HG2 ILE 45 10.162 8.787 6.835 335 HG22 ILE 45 2HG2 ILE 45 10.173 9.866 5.441 336 HG23 ILE 45 3HG2 ILE 45 8.892 8.668 5.617 337 HD11 ILE 45 3HD1 ILE 45 9.391 6.326 6.437 338 HD12 ILE 45 1HD1 ILE 45 8.071 6.082 5.293 339 HD13 ILE 45 2HD1 ILE 45 9.400 4.925 5.366 340 H GLU 46 H GLU 46 11.610 10.972 3.100 341 HA GLU 46 HA GLU 46 13.874 11.846 4.627 342 HB2 GLU 46 1HB GLU 46 13.174 12.713 2.341 343 HB3 GLU 46 2HB GLU 46 11.903 13.602 3.169 344 HG2 GLU 46 1HG GLU 46 13.657 14.716 4.534 345 HG3 GLU 46 2HG GLU 46 14.871 13.921 3.533 346 H GLU 47 H GLU 47 13.911 13.350 6.316 347 HA GLU 47 HA GLU 47 11.697 13.152 8.130 348 HB2 GLU 47 1HB GLU 47 14.296 13.320 8.586 349 HB3 GLU 47 2HB GLU 47 13.959 15.045 8.592 350 HG2 GLU 47 1HG GLU 47 12.207 14.614 10.320 351 HG3 GLU 47 2HG GLU 47 12.781 12.949 10.395 352 H GLY 48 H GLY 48 9.945 14.381 7.980 353 HA2 GLY 48 1HA GLY 48 8.894 16.508 8.220 354 HA3 GLY 48 2HA GLY 48 10.285 17.248 7.441 355 H SER 49 H SER 49 8.489 14.425 6.316 356 HA SER 49 HA SER 49 7.664 15.999 3.964 357 HB2 SER 49 1HB SER 49 7.657 13.627 2.859 358 HB3 SER 49 2HB SER 49 9.186 14.480 3.072 359 HG SER 49 HG SER 49 8.129 12.348 4.595 360 HA PRO 50 HA PRO 50 3.471 14.941 4.703 361 HB2 PRO 50 1HB PRO 50 2.523 14.596 2.182 362 HB3 PRO 50 2HB PRO 50 2.940 16.182 2.843 363 HG2 PRO 50 1HG PRO 50 4.534 14.403 1.039 364 HG3 PRO 50 2HG PRO 50 4.299 16.159 0.957 365 HD2 PRO 50 1HD PRO 50 6.538 15.035 1.985 366 HD3 PRO 50 2HD PRO 50 5.881 16.573 2.581 367 H ALA 51 H ALA 51 5.616 12.707 3.344 368 HA ALA 51 HA ALA 51 3.732 10.570 2.930 369 HB1 ALA 51 3HB ALA 51 5.448 10.009 1.613 370 HB2 ALA 51 1HB ALA 51 6.589 11.000 2.523 371 HB3 ALA 51 2HB ALA 51 6.193 9.374 3.079 372 H GLU 52 H GLU 52 6.031 11.518 5.440 373 HA GLU 52 HA GLU 52 5.564 9.179 7.036 374 HB2 GLU 52 1HB GLU 52 7.690 10.513 7.058 375 HB3 GLU 52 2HB GLU 52 6.815 11.793 7.886 376 HG2 GLU 52 1HG GLU 52 6.607 10.578 9.834 377 HG3 GLU 52 2HG GLU 52 6.829 9.032 9.016 378 H LYS 53 H LYS 53 4.654 12.608 7.303 379 HA LYS 53 HA LYS 53 3.301 12.725 9.626 380 HB2 LYS 53 1HB LYS 53 1.897 14.436 8.687 381 HB3 LYS 53 2HB LYS 53 3.492 14.570 7.957 382 HG2 LYS 53 1HG LYS 53 2.722 13.533 5.938 383 HG3 LYS 53 2HG LYS 53 1.153 13.180 6.668 384 HD2 LYS 53 1HD LYS 53 2.096 16.007 6.588 385 HD3 LYS 53 2HD LYS 53 1.488 15.272 5.102 386 HE2 LYS 53 1HE LYS 53 -0.065 15.110 7.662 387 HE3 LYS 53 2HE LYS 53 -0.164 16.535 6.629 388 HZ1 LYS 53 3HZ LYS 53 -1.801 15.372 5.657 389 HZ2 LYS 53 1HZ LYS 53 -1.244 13.878 6.223 390 HZ3 LYS 53 2HZ LYS 53 -0.542 14.578 4.853 391 H ALA 54 H ALA 54 2.387 10.865 6.851 392 HA ALA 54 HA ALA 54 -0.286 10.335 7.867 393 HB1 ALA 54 3HB ALA 54 -0.554 10.314 5.635 394 HB2 ALA 54 1HB ALA 54 1.136 9.911 5.332 395 HB3 ALA 54 2HB ALA 54 -0.008 8.643 5.772 396 H GLY 55 H GLY 55 1.999 9.513 9.469 397 HA2 GLY 55 1HA GLY 55 2.722 7.703 10.681 398 HA3 GLY 55 2HA GLY 55 1.148 7.009 10.322 399 H LEU 56 H LEU 56 3.284 7.819 7.717 400 HA LEU 56 HA LEU 56 3.423 5.024 6.963 401 HB2 LEU 56 1HB LEU 56 3.053 7.170 5.471 402 HB3 LEU 56 2HB LEU 56 4.815 7.171 5.441 403 HG LEU 56 HG LEU 56 4.767 4.888 4.495 404 HD11 LEU 56 1HD1 LEU 56 2.056 4.998 5.307 405 HD12 LEU 56 2HD1 LEU 56 2.929 3.657 4.566 406 HD13 LEU 56 3HD1 LEU 56 2.090 4.829 3.551 407 HD21 LEU 56 3HD2 LEU 56 4.930 6.838 3.032 408 HD22 LEU 56 1HD2 LEU 56 3.170 6.929 2.950 409 HD23 LEU 56 2HD2 LEU 56 4.014 5.539 2.267 410 H LEU 57 H LEU 57 5.077 3.727 7.392 411 HA LEU 57 HA LEU 57 7.683 4.941 8.038 412 HB2 LEU 57 1HB LEU 57 7.875 2.640 9.348 413 HB3 LEU 57 2HB LEU 57 7.203 4.097 10.078 414 HG LEU 57 HG LEU 57 5.464 2.014 8.783 415 HD11 LEU 57 1HD1 LEU 57 5.804 0.603 10.454 416 HD12 LEU 57 2HD1 LEU 57 5.355 1.852 11.615 417 HD13 LEU 57 3HD1 LEU 57 7.037 1.677 11.116 418 HD21 LEU 57 3HD2 LEU 57 3.734 3.224 9.538 419 HD22 LEU 57 1HD2 LEU 57 4.906 4.539 9.633 420 HD23 LEU 57 2HD2 LEU 57 4.529 3.589 11.070 421 H ASP 58 H ASP 58 9.524 3.361 7.772 422 HA ASP 58 HA ASP 58 9.440 2.301 5.114 423 HB2 ASP 58 1HB ASP 58 11.754 1.997 5.310 424 HB3 ASP 58 2HB ASP 58 11.436 3.395 6.334 425 H GLY 59 H GLY 59 8.684 0.370 4.572 426 HA2 GLY 59 1HA GLY 59 9.059 -2.052 4.783 427 HA3 GLY 59 2HA GLY 59 8.963 -1.831 6.524 428 H ASP 60 H ASP 60 6.745 0.093 4.852 429 HA ASP 60 HA ASP 60 4.552 -1.559 5.796 430 HB2 ASP 60 1HB ASP 60 4.833 1.248 4.813 431 HB3 ASP 60 2HB ASP 60 3.249 0.482 4.729 432 H ARG 61 H ARG 61 3.273 -2.794 4.564 433 HA ARG 61 HA ARG 61 3.848 -2.908 1.696 434 HB2 ARG 61 1HB ARG 61 2.709 -4.822 3.689 435 HB3 ARG 61 2HB ARG 61 2.287 -5.016 1.993 436 HG2 ARG 61 1HG ARG 61 4.115 -6.354 2.071 437 HG3 ARG 61 2HG ARG 61 4.908 -4.823 1.696 438 HD2 ARG 61 1HD ARG 61 5.572 -4.506 3.941 439 HD3 ARG 61 2HD ARG 61 4.500 -5.783 4.515 440 HE ARG 61 HE ARG 61 6.498 -6.714 2.677 441 HH11 ARG 61 1HH1 ARG 61 5.814 -5.962 6.007 442 HH12 ARG 61 2HH1 ARG 61 7.035 -7.019 6.633 443 HH21 ARG 61 1HH2 ARG 61 8.110 -8.109 3.489 444 HH22 ARG 61 2HH2 ARG 61 8.341 -8.239 5.200 445 H VAL 62 H VAL 62 2.546 -1.898 0.330 446 HA VAL 62 HA VAL 62 -0.066 -0.980 1.185 447 HB VAL 62 HB VAL 62 1.095 0.643 -0.051 448 HG11 VAL 62 1HG1 VAL 62 2.042 -1.661 -1.580 449 HG12 VAL 62 2HG1 VAL 62 1.676 -0.247 -2.571 450 HG13 VAL 62 3HG1 VAL 62 2.831 -0.120 -1.243 451 HG21 VAL 62 3HG2 VAL 62 -0.503 -0.404 -2.324 452 HG22 VAL 62 1HG2 VAL 62 -1.342 -0.084 -0.806 453 HG23 VAL 62 2HG2 VAL 62 -0.462 1.211 -1.618 454 H LEU 63 H LEU 63 -1.800 -2.223 0.996 455 HA LEU 63 HA LEU 63 -1.844 -4.545 -0.679 456 HB2 LEU 63 1HB LEU 63 -4.052 -3.232 0.898 457 HB3 LEU 63 2HB LEU 63 -4.138 -4.825 0.149 458 HG LEU 63 HG LEU 63 -1.999 -4.291 2.158 459 HD11 LEU 63 1HD1 LEU 63 -4.821 -5.028 2.910 460 HD12 LEU 63 2HD1 LEU 63 -4.122 -3.423 3.125 461 HD13 LEU 63 3HD1 LEU 63 -3.446 -4.802 3.992 462 HD21 LEU 63 3HD2 LEU 63 -2.587 -6.701 2.684 463 HD22 LEU 63 1HD2 LEU 63 -1.864 -6.395 1.105 464 HD23 LEU 63 2HD2 LEU 63 -3.602 -6.665 1.242 465 H ARG 64 H ARG 64 -3.899 -1.627 -0.584 466 HA ARG 64 HA ARG 64 -4.270 -1.921 -3.492 467 HB2 ARG 64 1HB ARG 64 -6.304 -1.029 -1.441 468 HB3 ARG 64 2HB ARG 64 -6.542 -0.951 -3.181 469 HG2 ARG 64 1HG ARG 64 -6.478 -3.330 -3.368 470 HG3 ARG 64 2HG ARG 64 -5.991 -3.498 -1.680 471 HD2 ARG 64 1HD ARG 64 -8.100 -2.834 -0.892 472 HD3 ARG 64 2HD ARG 64 -8.566 -2.166 -2.456 473 HE ARG 64 HE ARG 64 -8.820 -4.884 -1.599 474 HH11 ARG 64 1HH1 ARG 64 -8.392 -2.820 -4.370 475 HH12 ARG 64 2HH1 ARG 64 -9.086 -3.952 -5.483 476 HH21 ARG 64 1HH2 ARG 64 -9.736 -6.382 -3.054 477 HH22 ARG 64 2HH2 ARG 64 -9.851 -5.977 -4.734 478 H ILE 65 H ILE 65 -4.195 -0.075 -4.724 479 HA ILE 65 HA ILE 65 -3.372 2.373 -3.306 480 HB ILE 65 HB ILE 65 -1.727 1.163 -4.902 481 HG12 ILE 65 1HG1 ILE 65 -1.190 3.314 -4.008 482 HG13 ILE 65 2HG1 ILE 65 -0.898 3.397 -5.742 483 HG21 ILE 65 1HG2 ILE 65 -1.947 1.480 -7.201 484 HG22 ILE 65 2HG2 ILE 65 -3.571 1.033 -6.683 485 HG23 ILE 65 3HG2 ILE 65 -3.184 2.722 -7.007 486 HD11 ILE 65 3HD1 ILE 65 -3.301 4.348 -5.848 487 HD12 ILE 65 1HD1 ILE 65 -3.066 4.658 -4.128 488 HD13 ILE 65 2HD1 ILE 65 -1.978 5.384 -5.312 489 H ASN 66 H ASN 66 -4.733 4.024 -3.410 490 HA ASN 66 HA ASN 66 -6.545 5.289 -3.979 491 HB2 ASN 66 1HB ASN 66 -4.763 5.715 -5.819 492 HB3 ASN 66 2HB ASN 66 -5.833 4.774 -6.853 493 HD21 ASN 66 1HD2 ASN 66 -5.584 7.651 -4.870 494 HD22 ASN 66 2HD2 ASN 66 -6.859 8.524 -5.644 495 H GLY 67 H GLY 67 -6.999 2.409 -3.723 496 HA2 GLY 67 1HA GLY 67 -8.983 1.189 -3.812 497 HA3 GLY 67 2HA GLY 67 -9.613 2.345 -4.976 498 H VAL 68 H VAL 68 -6.528 0.714 -5.325 499 HA VAL 68 HA VAL 68 -7.677 -1.046 -7.374 500 HB VAL 68 HB VAL 68 -5.256 0.715 -7.777 501 HG11 VAL 68 1HG1 VAL 68 -5.160 -1.670 -8.694 502 HG12 VAL 68 2HG1 VAL 68 -6.429 -1.159 -9.808 503 HG13 VAL 68 3HG1 VAL 68 -4.862 -0.350 -9.825 504 HG21 VAL 68 3HG2 VAL 68 -7.661 1.636 -8.031 505 HG22 VAL 68 1HG2 VAL 68 -6.493 1.932 -9.319 506 HG23 VAL 68 2HG2 VAL 68 -7.704 0.663 -9.501 507 H PHE 69 H PHE 69 -7.143 -3.063 -6.897 508 HA PHE 69 HA PHE 69 -5.221 -3.785 -4.981 509 HB2 PHE 69 1HB PHE 69 -7.244 -5.129 -5.807 510 HB3 PHE 69 2HB PHE 69 -6.216 -5.630 -7.146 511 HD1 PHE 69 2HD PHE 69 -5.967 -5.358 -3.428 512 HD2 PHE 69 1HD PHE 69 -5.215 -7.672 -6.921 513 HE1 PHE 69 2HE PHE 69 -5.034 -7.156 -2.032 514 HE2 PHE 69 1HE PHE 69 -4.281 -9.474 -5.530 515 HZ PHE 69 HZ PHE 69 -4.188 -9.217 -3.082 516 H VAL 70 H VAL 70 -3.138 -3.246 -5.286 517 HA VAL 70 HA VAL 70 -1.881 -3.982 -7.847 518 HB VAL 70 HB VAL 70 -0.095 -2.370 -7.260 519 HG11 VAL 70 1HG1 VAL 70 -2.791 -1.035 -7.185 520 HG12 VAL 70 2HG1 VAL 70 -1.292 -0.421 -7.885 521 HG13 VAL 70 3HG1 VAL 70 -2.124 -1.782 -8.636 522 HG21 VAL 70 3HG2 VAL 70 -1.397 -0.764 -5.350 523 HG22 VAL 70 1HG2 VAL 70 -1.430 -2.414 -4.729 524 HG23 VAL 70 2HG2 VAL 70 0.107 -1.666 -5.162 525 H ASP 71 H ASP 71 -2.272 -6.024 -6.078 526 HA ASP 71 HA ASP 71 0.030 -6.393 -4.393 527 HB2 ASP 71 1HB ASP 71 -1.854 -7.489 -3.562 528 HB3 ASP 71 2HB ASP 71 -2.333 -8.078 -5.152 529 H LYS 72 H LYS 72 -1.103 -7.717 -7.482 530 HA LYS 72 HA LYS 72 1.468 -9.067 -7.847 531 HB2 LYS 72 1HB LYS 72 -1.199 -9.275 -9.221 532 HB3 LYS 72 2HB LYS 72 0.254 -9.944 -9.952 533 HG2 LYS 72 1HG LYS 72 -0.680 -10.666 -7.187 534 HG3 LYS 72 2HG LYS 72 -1.147 -11.556 -8.637 535 HD2 LYS 72 1HD LYS 72 1.727 -11.056 -7.903 536 HD3 LYS 72 2HD LYS 72 0.833 -12.464 -7.326 537 HE2 LYS 72 1HE LYS 72 1.759 -13.347 -9.216 538 HE3 LYS 72 2HE LYS 72 0.261 -12.710 -9.893 539 HZ1 LYS 72 3HZ LYS 72 2.083 -10.638 -9.978 540 HZ2 LYS 72 1HZ LYS 72 1.505 -11.544 -11.285 541 HZ3 LYS 72 2HZ LYS 72 2.933 -12.002 -10.504 542 H GLU 73 H GLU 73 -0.361 -6.348 -8.953 543 HA GLU 73 HA GLU 73 0.621 -5.829 -11.454 544 HB2 GLU 73 1HB GLU 73 0.054 -3.922 -9.186 545 HB3 GLU 73 2HB GLU 73 0.444 -3.380 -10.812 546 HG2 GLU 73 1HG GLU 73 -1.860 -5.199 -10.160 547 HG3 GLU 73 2HG GLU 73 -1.988 -3.445 -10.282 548 H GLU 74 H GLU 74 2.228 -3.999 -11.989 549 HA GLU 74 HA GLU 74 4.748 -4.625 -10.612 550 HB2 GLU 74 1HB GLU 74 4.708 -5.178 -12.993 551 HB3 GLU 74 2HB GLU 74 4.265 -3.523 -13.385 552 HG2 GLU 74 1HG GLU 74 6.523 -3.544 -13.818 553 HG3 GLU 74 2HG GLU 74 6.463 -2.900 -12.178 554 H HIS 75 H HIS 75 6.222 -2.963 -10.102 555 HA HIS 75 HA HIS 75 5.239 -0.728 -8.866 556 HB2 HIS 75 1HB HIS 75 7.484 -1.399 -8.424 557 HB3 HIS 75 2HB HIS 75 7.946 -1.206 -10.112 558 HD1 HIS 75 1HD HIS 75 6.142 1.315 -7.924 559 HD2 HIS 75 2HD HIS 75 9.739 0.835 -9.947 560 HE1 HIS 75 1HE HIS 75 7.328 3.523 -7.719 561 HE2 HIS 75 2HE HIS 75 9.464 3.235 -9.023 562 H ALA 76 H ALA 76 6.592 -0.880 -12.155 563 HA ALA 76 HA ALA 76 6.321 1.782 -12.861 564 HB1 ALA 76 3HB ALA 76 7.430 -0.066 -14.178 565 HB2 ALA 76 1HB ALA 76 5.822 -0.494 -14.764 566 HB3 ALA 76 2HB ALA 76 6.496 1.098 -15.118 567 H GLN 77 H GLN 77 3.886 -0.686 -12.564 568 HA GLN 77 HA GLN 77 1.869 0.833 -13.969 569 HB2 GLN 77 1HB GLN 77 1.957 -1.801 -12.560 570 HB3 GLN 77 2HB GLN 77 0.396 -1.042 -12.843 571 HG2 GLN 77 1HG GLN 77 2.364 -1.448 -15.064 572 HG3 GLN 77 2HG GLN 77 1.252 -2.722 -14.565 573 HE21 GLN 77 1HE2 GLN 77 -1.065 -2.100 -14.510 574 HE22 GLN 77 2HE2 GLN 77 -1.646 -1.055 -15.757 575 H VAL 78 H VAL 78 2.712 0.081 -10.626 576 HA VAL 78 HA VAL 78 0.438 1.307 -9.451 577 HB VAL 78 HB VAL 78 3.159 0.796 -8.241 578 HG11 VAL 78 1HG1 VAL 78 1.939 0.888 -6.087 579 HG12 VAL 78 2HG1 VAL 78 1.951 2.431 -6.944 580 HG13 VAL 78 3HG1 VAL 78 0.503 1.424 -6.958 581 HG21 VAL 78 3HG2 VAL 78 2.268 -1.281 -8.960 582 HG22 VAL 78 1HG2 VAL 78 1.958 -1.177 -7.227 583 HG23 VAL 78 2HG2 VAL 78 0.655 -0.871 -8.376 584 H VAL 79 H VAL 79 3.800 2.417 -9.846 585 HA VAL 79 HA VAL 79 3.703 4.873 -8.674 586 HB VAL 79 HB VAL 79 5.736 3.988 -9.696 587 HG11 VAL 79 1HG1 VAL 79 6.065 3.661 -11.938 588 HG12 VAL 79 2HG1 VAL 79 4.338 3.315 -11.826 589 HG13 VAL 79 3HG1 VAL 79 4.887 4.889 -12.402 590 HG21 VAL 79 3HG2 VAL 79 5.824 6.301 -9.216 591 HG22 VAL 79 1HG2 VAL 79 6.491 6.119 -10.839 592 HG23 VAL 79 2HG2 VAL 79 4.842 6.707 -10.623 593 H GLU 80 H GLU 80 2.422 3.984 -11.836 594 HA GLU 80 HA GLU 80 1.778 6.609 -12.680 595 HB2 GLU 80 1HB GLU 80 1.952 4.529 -14.128 596 HB3 GLU 80 2HB GLU 80 0.362 4.083 -13.526 597 HG2 GLU 80 1HG GLU 80 -0.699 5.744 -14.683 598 HG3 GLU 80 2HG GLU 80 0.725 6.782 -14.716 599 H LEU 81 H LEU 81 -0.242 4.023 -11.292 600 HA LEU 81 HA LEU 81 -2.647 5.393 -11.184 601 HB2 LEU 81 1HB LEU 81 -1.618 3.419 -9.152 602 HB3 LEU 81 2HB LEU 81 -3.304 3.842 -9.440 603 HG LEU 81 HG LEU 81 -1.727 2.696 -11.691 604 HD11 LEU 81 1HD1 LEU 81 -1.856 1.403 -9.204 605 HD12 LEU 81 2HD1 LEU 81 -1.361 0.723 -10.753 606 HD13 LEU 81 3HD1 LEU 81 -3.044 0.610 -10.238 607 HD21 LEU 81 3HD2 LEU 81 -4.483 1.881 -10.969 608 HD22 LEU 81 1HD2 LEU 81 -3.764 2.178 -12.552 609 HD23 LEU 81 2HD2 LEU 81 -4.248 3.535 -11.535 610 H VAL 82 H VAL 82 0.135 5.590 -9.072 611 HA VAL 82 HA VAL 82 -1.167 7.053 -6.993 612 HB VAL 82 HB VAL 82 1.776 6.825 -7.640 613 HG11 VAL 82 1HG1 VAL 82 1.283 7.298 -4.887 614 HG12 VAL 82 2HG1 VAL 82 2.146 8.318 -6.040 615 HG13 VAL 82 3HG1 VAL 82 0.408 8.517 -5.812 616 HG21 VAL 82 3HG2 VAL 82 -0.080 5.212 -5.920 617 HG22 VAL 82 1HG2 VAL 82 1.052 4.658 -7.154 618 HG23 VAL 82 2HG2 VAL 82 1.655 5.258 -5.609 619 H ARG 83 H ARG 83 0.519 7.895 -9.941 620 HA ARG 83 HA ARG 83 0.801 10.672 -9.332 621 HB2 ARG 83 1HB ARG 83 2.322 9.818 -10.923 622 HB3 ARG 83 2HB ARG 83 1.042 9.057 -11.859 623 HG2 ARG 83 1HG ARG 83 0.477 10.989 -12.924 624 HG3 ARG 83 2HG ARG 83 0.984 12.009 -11.576 625 HD2 ARG 83 1HD ARG 83 3.351 11.411 -12.126 626 HD3 ARG 83 2HD ARG 83 2.749 10.600 -13.571 627 HE ARG 83 HE ARG 83 1.750 13.198 -13.587 628 HH11 ARG 83 1HH1 ARG 83 4.824 11.575 -13.776 629 HH12 ARG 83 2HH1 ARG 83 5.565 12.812 -14.735 630 HH21 ARG 83 1HH2 ARG 83 2.715 14.834 -14.850 631 HH22 ARG 83 2HH2 ARG 83 4.365 14.666 -15.345 632 H LYS 84 H LYS 84 -1.391 8.848 -11.467 633 HA LYS 84 HA LYS 84 -2.949 11.060 -12.249 634 HB2 LYS 84 1HB LYS 84 -4.546 9.437 -13.073 635 HB3 LYS 84 2HB LYS 84 -2.915 8.889 -13.440 636 HG2 LYS 84 1HG LYS 84 -3.012 7.389 -11.485 637 HG3 LYS 84 2HG LYS 84 -4.681 7.896 -11.211 638 HD2 LYS 84 1HD LYS 84 -3.691 6.637 -13.767 639 HD3 LYS 84 2HD LYS 84 -4.448 5.739 -12.449 640 HE2 LYS 84 1HE LYS 84 -6.287 6.124 -13.740 641 HE3 LYS 84 2HE LYS 84 -6.319 7.584 -12.753 642 HZ1 LYS 84 3HZ LYS 84 -5.901 8.864 -14.515 643 HZ2 LYS 84 1HZ LYS 84 -6.343 7.527 -15.453 644 HZ3 LYS 84 2HZ LYS 84 -4.711 7.828 -15.126 645 H SER 85 H SER 85 -3.120 8.900 -9.494 646 HA SER 85 HA SER 85 -5.586 9.125 -8.483 647 HB2 SER 85 1HB SER 85 -2.930 9.367 -7.096 648 HB3 SER 85 2HB SER 85 -4.432 9.462 -6.176 649 HG SER 85 HG SER 85 -3.524 7.314 -6.367 650 H GLY 86 H GLY 86 -3.109 11.620 -7.841 651 HA2 GLY 86 1HA GLY 86 -3.819 13.958 -8.337 652 HA3 GLY 86 2HA GLY 86 -5.323 13.554 -7.524 653 H ASN 87 H ASN 87 -4.242 15.702 -6.551 654 HA ASN 87 HA ASN 87 -2.186 15.771 -4.799 655 HB2 ASN 87 1HB ASN 87 -4.852 16.889 -3.963 656 HB3 ASN 87 2HB ASN 87 -3.246 17.562 -3.701 657 HD21 ASN 87 1HD2 ASN 87 -2.358 18.863 -5.213 658 HD22 ASN 87 2HD2 ASN 87 -3.154 19.335 -6.672 659 H SER 88 H SER 88 -5.417 14.479 -4.094 660 HA SER 88 HA SER 88 -4.430 13.434 -1.542 661 HB2 SER 88 1HB SER 88 -6.824 12.952 -1.074 662 HB3 SER 88 2HB SER 88 -6.531 14.655 -1.424 663 HG SER 88 HG SER 88 -7.928 14.457 -2.965 664 H VAL 89 H VAL 89 -3.773 11.403 -1.400 665 HA VAL 89 HA VAL 89 -4.918 9.410 -3.243 666 HB VAL 89 HB VAL 89 -2.028 9.576 -2.375 667 HG11 VAL 89 1HG1 VAL 89 -1.618 7.579 -3.476 668 HG12 VAL 89 2HG1 VAL 89 -3.173 7.273 -2.700 669 HG13 VAL 89 3HG1 VAL 89 -3.106 7.674 -4.417 670 HG21 VAL 89 3HG2 VAL 89 -1.854 10.992 -4.096 671 HG22 VAL 89 1HG2 VAL 89 -2.121 9.587 -5.128 672 HG23 VAL 89 2HG2 VAL 89 -3.478 10.619 -4.674 673 H THR 90 H THR 90 -5.428 7.449 -2.386 674 HA THR 90 HA THR 90 -5.119 7.188 0.527 675 HB THR 90 HB THR 90 -7.079 5.741 -1.263 676 HG1 THR 90 1HG THR 90 -8.501 7.306 -0.791 677 HG21 THR 90 3HG2 THR 90 -8.182 5.112 0.800 678 HG22 THR 90 1HG2 THR 90 -7.006 6.027 1.743 679 HG23 THR 90 2HG2 THR 90 -6.498 4.592 0.853 680 H LEU 91 H LEU 91 -4.174 5.421 1.427 681 HA LEU 91 HA LEU 91 -3.403 3.191 -0.303 682 HB2 LEU 91 1HB LEU 91 -1.456 4.597 1.515 683 HB3 LEU 91 2HB LEU 91 -1.119 3.220 0.468 684 HG LEU 91 HG LEU 91 -2.042 5.802 -0.724 685 HD11 LEU 91 1HD1 LEU 91 0.864 5.391 -0.559 686 HD12 LEU 91 2HD1 LEU 91 0.076 5.848 0.951 687 HD13 LEU 91 3HD1 LEU 91 -0.083 6.876 -0.474 688 HD21 LEU 91 3HD2 LEU 91 -0.065 3.789 -1.760 689 HD22 LEU 91 1HD2 LEU 91 -0.959 5.016 -2.659 690 HD23 LEU 91 2HD2 LEU 91 -1.805 3.618 -1.996 691 H LEU 92 H LEU 92 -3.335 1.231 0.707 692 HA LEU 92 HA LEU 92 -4.091 1.219 3.552 693 HB2 LEU 92 1HB LEU 92 -4.742 -0.606 1.269 694 HB3 LEU 92 2HB LEU 92 -4.843 -1.179 2.933 695 HG LEU 92 HG LEU 92 -6.389 1.166 1.831 696 HD11 LEU 92 1HD1 LEU 92 -8.111 -0.190 1.305 697 HD12 LEU 92 2HD1 LEU 92 -7.760 -1.326 2.608 698 HD13 LEU 92 3HD1 LEU 92 -6.828 -1.385 1.112 699 HD21 LEU 92 3HD2 LEU 92 -7.671 0.221 4.062 700 HD22 LEU 92 1HD2 LEU 92 -6.612 1.630 4.006 701 HD23 LEU 92 2HD2 LEU 92 -5.969 0.064 4.500 702 H VAL 93 H VAL 93 -2.394 0.811 4.806 703 HA VAL 93 HA VAL 93 -0.356 -1.091 3.868 704 HB VAL 93 HB VAL 93 1.092 -0.136 5.638 705 HG11 VAL 93 1HG1 VAL 93 0.015 2.042 3.861 706 HG12 VAL 93 2HG1 VAL 93 1.664 1.837 4.457 707 HG13 VAL 93 3HG1 VAL 93 1.010 0.715 3.263 708 HG21 VAL 93 3HG2 VAL 93 -0.279 2.309 6.112 709 HG22 VAL 93 1HG2 VAL 93 -1.358 0.978 6.532 710 HG23 VAL 93 2HG2 VAL 93 0.235 1.091 7.280 711 H LEU 94 H LEU 94 0.127 -2.906 5.006 712 HA LEU 94 HA LEU 94 -1.522 -3.449 7.386 713 HB2 LEU 94 1HB LEU 94 -1.837 -4.793 5.200 714 HB3 LEU 94 2HB LEU 94 -0.326 -5.579 5.652 715 HG LEU 94 HG LEU 94 -1.576 -6.046 7.900 716 HD11 LEU 94 1HD1 LEU 94 -3.767 -5.678 8.006 717 HD12 LEU 94 2HD1 LEU 94 -4.039 -6.371 6.408 718 HD13 LEU 94 3HD1 LEU 94 -3.575 -4.677 6.567 719 HD21 LEU 94 3HD2 LEU 94 -1.799 -7.447 5.275 720 HD22 LEU 94 1HD2 LEU 94 -2.679 -8.073 6.670 721 HD23 LEU 94 2HD2 LEU 94 -0.923 -7.917 6.734 722 H ASP 95 H ASP 95 -0.588 -4.646 9.098 723 HA ASP 95 HA ASP 95 2.123 -3.975 9.635 724 HB2 ASP 95 1HB ASP 95 0.158 -5.753 11.086 725 HB3 ASP 95 2HB ASP 95 1.770 -5.389 11.694 726 H GLY 96 H GLY 96 3.944 -5.090 9.294 727 HA2 GLY 96 1HA GLY 96 4.317 -7.088 7.543 728 HA3 GLY 96 2HA GLY 96 5.339 -6.916 8.963 729 H ASP 97 H ASP 97 4.097 -7.788 11.035 730 HA ASP 97 HA ASP 97 4.040 -10.539 10.871 731 HB2 ASP 97 1HB ASP 97 3.193 -10.557 13.083 732 HB3 ASP 97 2HB ASP 97 4.147 -9.082 12.959 733 H SER 98 H SER 98 1.235 -8.344 10.936 734 HA SER 98 HA SER 98 -0.783 -10.222 10.748 735 HB2 SER 98 1HB SER 98 -0.586 -7.400 9.704 736 HB3 SER 98 2HB SER 98 -2.059 -8.355 9.534 737 HG SER 98 HG SER 98 -1.809 -8.666 11.913 738 H TYR 99 H TYR 99 1.024 -8.666 8.120 739 HA TYR 99 HA TYR 99 -0.364 -9.903 6.003 740 HB2 TYR 99 1HB TYR 99 1.239 -7.889 5.932 741 HB3 TYR 99 2HB TYR 99 2.530 -9.083 5.856 742 HD1 TYR 99 2HD TYR 99 2.449 -10.790 3.947 743 HD2 TYR 99 1HD TYR 99 0.111 -7.236 3.990 744 HE1 TYR 99 2HE TYR 99 2.150 -10.964 1.512 745 HE2 TYR 99 1HE TYR 99 -0.196 -7.401 1.556 746 HH TYR 99 HH TYR 99 1.402 -9.936 -0.330 747 H GLU 100 H GLU 100 2.991 -10.585 7.004 748 HA GLU 100 HA GLU 100 3.420 -12.904 5.657 749 HB2 GLU 100 1HB GLU 100 4.297 -12.284 8.483 750 HB3 GLU 100 2HB GLU 100 4.981 -13.552 7.476 751 HG2 GLU 100 1HG GLU 100 5.497 -11.678 5.807 752 HG3 GLU 100 2HG GLU 100 5.191 -10.584 7.155 753 H LYS 101 H LYS 101 1.718 -12.559 8.737 754 HA LYS 101 HA LYS 101 1.348 -15.306 9.242 755 HB2 LYS 101 1HB LYS 101 1.018 -13.337 10.841 756 HB3 LYS 101 2HB LYS 101 -0.559 -13.132 10.091 757 HG2 LYS 101 1HG LYS 101 -1.072 -15.497 10.714 758 HG3 LYS 101 2HG LYS 101 0.438 -15.518 11.628 759 HD2 LYS 101 1HD LYS 101 -1.500 -13.312 12.129 760 HD3 LYS 101 2HD LYS 101 -1.857 -14.913 12.781 761 HE2 LYS 101 1HE LYS 101 -0.009 -14.901 14.171 762 HE3 LYS 101 2HE LYS 101 0.850 -13.716 13.188 763 HZ1 LYS 101 3HZ LYS 101 0.058 -12.779 15.285 764 HZ2 LYS 101 1HZ LYS 101 -1.539 -13.138 14.856 765 HZ3 LYS 101 2HZ LYS 101 -0.655 -12.010 13.957 766 H ALA 102 H ALA 102 -0.794 -12.901 7.727 767 HA ALA 102 HA ALA 102 -2.925 -14.643 7.182 768 HB1 ALA 102 3HB ALA 102 -3.051 -12.785 5.167 769 HB2 ALA 102 1HB ALA 102 -3.732 -12.599 6.784 770 HB3 ALA 102 2HB ALA 102 -2.136 -11.943 6.417 771 H VAL 103 H VAL 103 -0.487 -13.401 4.885 772 HA VAL 103 HA VAL 103 -1.120 -14.949 2.706 773 HB VAL 103 HB VAL 103 0.587 -13.138 2.725 774 HG11 VAL 103 1HG1 VAL 103 2.882 -13.665 3.368 775 HG12 VAL 103 2HG1 VAL 103 1.788 -13.815 4.744 776 HG13 VAL 103 3HG1 VAL 103 2.369 -15.260 3.917 777 HG21 VAL 103 3HG2 VAL 103 2.296 -14.622 1.313 778 HG22 VAL 103 1HG2 VAL 103 0.967 -15.776 1.433 779 HG23 VAL 103 2HG2 VAL 103 0.695 -14.189 0.713 780 H LYS 104 H LYS 104 0.923 -15.811 5.460 781 HA LYS 104 HA LYS 104 1.890 -18.255 4.513 782 HB2 LYS 104 1HB LYS 104 2.868 -17.296 6.471 783 HB3 LYS 104 2HB LYS 104 1.324 -17.283 7.313 784 HG2 LYS 104 1HG LYS 104 2.452 -19.072 8.261 785 HG3 LYS 104 2HG LYS 104 1.397 -19.837 7.070 786 HD2 LYS 104 1HD LYS 104 4.139 -19.042 6.228 787 HD3 LYS 104 2HD LYS 104 3.959 -20.464 7.258 788 HE2 LYS 104 1HE LYS 104 2.145 -21.167 5.549 789 HE3 LYS 104 2HE LYS 104 2.914 -19.983 4.493 790 HZ1 LYS 104 3HZ LYS 104 4.528 -21.413 4.049 791 HZ2 LYS 104 1HZ LYS 104 3.693 -22.598 4.920 792 HZ3 LYS 104 2HZ LYS 104 4.862 -21.650 5.691 793 H ASN 105 H ASN 105 -1.063 -17.502 6.325 794 HA ASN 105 HA ASN 105 -1.923 -20.276 6.216 795 HB2 ASN 105 1HB ASN 105 -3.334 -17.839 7.326 796 HB3 ASN 105 2HB ASN 105 -3.850 -19.510 7.531 797 HD21 ASN 105 1HD2 ASN 105 -2.902 -17.295 9.378 798 HD22 ASN 105 2HD2 ASN 105 -1.712 -18.064 10.367 799 H GLN 106 H GLN 106 -1.656 -18.440 3.809 800 HA GLN 106 HA GLN 106 -2.778 -17.931 1.889 801 HB2 GLN 106 1HB GLN 106 -4.069 -20.507 2.757 802 HB3 GLN 106 2HB GLN 106 -4.507 -19.719 1.247 803 HG2 GLN 106 1HG GLN 106 -1.956 -19.756 0.786 804 HG3 GLN 106 2HG GLN 106 -1.932 -21.004 2.031 805 HE21 GLN 106 1HE2 GLN 106 -1.256 -21.318 -0.724 806 HE22 GLN 106 2HE2 GLN 106 -2.361 -22.463 -1.397 807 H VAL 107 H VAL 107 -3.664 -16.400 3.990 808 HA VAL 107 HA VAL 107 -6.559 -16.448 4.057 809 HB VAL 107 HB VAL 107 -4.619 -14.456 5.239 810 HG11 VAL 107 1HG1 VAL 107 -6.402 -13.457 6.365 811 HG12 VAL 107 2HG1 VAL 107 -7.028 -13.715 4.735 812 HG13 VAL 107 3HG1 VAL 107 -7.487 -14.809 6.041 813 HG21 VAL 107 3HG2 VAL 107 -5.761 -15.772 7.327 814 HG22 VAL 107 1HG2 VAL 107 -5.635 -17.060 6.129 815 HG23 VAL 107 2HG2 VAL 107 -4.194 -16.173 6.625 816 H ASP 108 H ASP 108 -7.743 -15.578 2.501 817 HA ASP 108 HA ASP 108 -6.954 -14.206 0.303 818 HB2 ASP 108 1HB ASP 108 -9.535 -13.574 1.740 819 HB3 ASP 108 2HB ASP 108 -9.218 -13.473 0.010 820 H LEU 109 H LEU 109 -6.109 -12.280 -0.138 821 HA LEU 109 HA LEU 109 -6.073 -10.258 1.988 822 HB2 LEU 109 1HB LEU 109 -4.345 -10.626 -0.451 823 HB3 LEU 109 2HB LEU 109 -4.230 -9.246 0.640 824 HG LEU 109 HG LEU 109 -3.760 -12.110 1.464 825 HD11 LEU 109 1HD1 LEU 109 -1.986 -10.078 0.261 826 HD12 LEU 109 2HD1 LEU 109 -1.900 -11.838 0.209 827 HD13 LEU 109 3HD1 LEU 109 -1.347 -10.971 1.642 828 HD21 LEU 109 3HD2 LEU 109 -3.029 -9.558 2.885 829 HD22 LEU 109 1HD2 LEU 109 -2.929 -11.208 3.500 830 HD23 LEU 109 2HD2 LEU 109 -4.504 -10.469 3.213 831 H LYS 110 H LYS 110 -6.809 -10.720 -1.431 832 HA LYS 110 HA LYS 110 -7.305 -8.202 -2.321 833 HB2 LYS 110 1HB LYS 110 -8.989 -10.666 -2.799 834 HB3 LYS 110 2HB LYS 110 -9.109 -9.185 -3.740 835 HG2 LYS 110 1HG LYS 110 -6.833 -9.450 -4.513 836 HG3 LYS 110 2HG LYS 110 -6.632 -10.883 -3.501 837 HD2 LYS 110 1HD LYS 110 -8.678 -11.790 -4.808 838 HD3 LYS 110 2HD LYS 110 -8.282 -10.529 -5.978 839 HE2 LYS 110 1HE LYS 110 -6.270 -11.503 -6.545 840 HE3 LYS 110 2HE LYS 110 -6.131 -12.357 -5.009 841 HZ1 LYS 110 3HZ LYS 110 -6.650 -13.797 -6.947 842 HZ2 LYS 110 1HZ LYS 110 -8.147 -13.022 -7.081 843 HZ3 LYS 110 2HZ LYS 110 -7.776 -13.910 -5.691 844 H GLU 111 H GLU 111 -9.263 -10.066 -0.087 845 HA GLU 111 HA GLU 111 -11.554 -8.420 -0.120 846 HB2 GLU 111 1HB GLU 111 -10.497 -10.146 2.127 847 HB3 GLU 111 2HB GLU 111 -12.128 -9.502 2.007 848 HG2 GLU 111 1HG GLU 111 -12.348 -10.781 -0.152 849 HG3 GLU 111 2HG GLU 111 -10.831 -11.575 0.265 850 H LEU 112 H LEU 112 -8.645 -8.406 1.900 851 HA LEU 112 HA LEU 112 -9.155 -6.649 3.856 852 HB2 LEU 112 1HB LEU 112 -6.747 -6.404 2.062 853 HB3 LEU 112 2HB LEU 112 -6.872 -5.874 3.738 854 HG LEU 112 HG LEU 112 -7.054 -8.757 2.877 855 HD11 LEU 112 1HD1 LEU 112 -4.718 -7.021 3.455 856 HD12 LEU 112 2HD1 LEU 112 -4.872 -8.387 2.350 857 HD13 LEU 112 3HD1 LEU 112 -4.699 -8.670 4.082 858 HD21 LEU 112 3HD2 LEU 112 -6.855 -7.351 5.526 859 HD22 LEU 112 1HD2 LEU 112 -6.436 -9.053 5.326 860 HD23 LEU 112 2HD2 LEU 112 -8.075 -8.503 4.979 861 H ASP 113 H ASP 113 -10.570 -5.006 3.656 862 HA ASP 113 HA ASP 113 -9.720 -2.649 2.243 863 HB2 ASP 113 1HB ASP 113 -10.817 -3.739 0.396 864 HB3 ASP 113 2HB ASP 113 -12.225 -4.108 1.388 865 H GLN 114 H GLN 114 -9.879 -1.306 3.928 866 HA GLN 114 HA GLN 114 -11.537 -1.481 6.114 867 HB2 GLN 114 1HB GLN 114 -9.691 0.052 6.116 868 HB3 GLN 114 2HB GLN 114 -10.376 0.964 4.778 869 HG2 GLN 114 1HG GLN 114 -10.932 2.319 6.518 870 HG3 GLN 114 2HG GLN 114 -12.370 1.302 6.447 871 HE21 GLN 114 1HE2 GLN 114 -9.277 1.724 8.075 872 HE22 GLN 114 2HE2 GLN 114 -9.751 0.984 9.562 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -25.688 -15.805 1.078 2 HA2 GLY 1 1HA GLY 1 -24.584 -18.001 0.359 3 HA3 GLY 1 2HA GLY 1 -23.353 -16.943 -0.315 4 H SER 2 H SER 2 -21.855 -15.990 1.021 5 HA SER 2 HA SER 2 -20.457 -15.883 2.816 6 HB2 SER 2 1HB SER 2 -23.184 -15.525 4.000 7 HB3 SER 2 2HB SER 2 -21.793 -15.654 5.077 8 HG SER 2 HG SER 2 -21.442 -13.939 2.953 9 H SER 3 H SER 3 -20.850 -18.462 1.868 10 HA SER 3 HA SER 3 -20.314 -19.990 4.291 11 HB2 SER 3 1HB SER 3 -22.727 -20.314 3.869 12 HB3 SER 3 2HB SER 3 -22.357 -20.891 2.244 13 HG SER 3 HG SER 3 -22.586 -22.662 3.579 14 H GLY 4 H GLY 4 -18.858 -21.634 4.007 15 HA2 GLY 4 1HA GLY 4 -17.983 -23.297 2.325 16 HA3 GLY 4 2HA GLY 4 -17.768 -21.904 1.275 17 H SER 5 H SER 5 -15.977 -20.642 1.482 18 HA SER 5 HA SER 5 -13.679 -21.714 2.631 19 HB2 SER 5 1HB SER 5 -13.569 -20.080 0.828 20 HB3 SER 5 2HB SER 5 -14.266 -18.842 1.873 21 HG SER 5 HG SER 5 -11.974 -18.703 1.736 22 H SER 6 H SER 6 -13.805 -22.220 4.772 23 HA SER 6 HA SER 6 -13.617 -20.003 6.631 24 HB2 SER 6 1HB SER 6 -16.002 -20.349 6.680 25 HB3 SER 6 2HB SER 6 -15.795 -22.092 6.845 26 HG SER 6 HG SER 6 -15.355 -21.859 8.911 27 H GLY 7 H GLY 7 -11.908 -20.420 7.854 28 HA2 GLY 7 1HA GLY 7 -11.573 -22.793 9.340 29 HA3 GLY 7 2HA GLY 7 -10.550 -22.864 7.913 30 H MET 8 H MET 8 -8.670 -21.735 7.868 31 HA MET 8 HA MET 8 -7.967 -20.309 10.335 32 HB2 MET 8 1HB MET 8 -6.625 -22.321 9.364 33 HB3 MET 8 2HB MET 8 -5.985 -21.132 8.238 34 HG2 MET 8 1HG MET 8 -5.120 -19.813 10.071 35 HG3 MET 8 2HG MET 8 -5.833 -20.926 11.236 36 HE1 MET 8 3HE MET 8 -2.195 -20.612 9.086 37 HE2 MET 8 1HE MET 8 -2.774 -21.963 8.110 38 HE3 MET 8 2HE MET 8 -3.746 -20.498 8.253 39 H ALA 9 H ALA 9 -9.556 -18.859 8.651 40 HA ALA 9 HA ALA 9 -7.694 -16.783 7.743 41 HB1 ALA 9 3HB ALA 9 -8.678 -16.507 5.659 42 HB2 ALA 9 1HB ALA 9 -8.624 -18.261 5.843 43 HB3 ALA 9 2HB ALA 9 -10.133 -17.391 6.118 44 H SER 10 H SER 10 -8.551 -14.655 7.760 45 HA SER 10 HA SER 10 -11.212 -14.088 8.598 46 HB2 SER 10 1HB SER 10 -10.572 -13.078 10.813 47 HB3 SER 10 2HB SER 10 -10.480 -14.838 10.763 48 HG SER 10 HG SER 10 -8.542 -14.456 11.519 49 H THR 11 H THR 11 -11.708 -11.905 8.458 50 HA THR 11 HA THR 11 -10.063 -10.348 6.774 51 HB THR 11 HB THR 11 -11.677 -8.525 7.169 52 HG1 THR 11 1HG THR 11 -12.215 -10.029 9.390 53 HG21 THR 11 3HG2 THR 11 -13.549 -9.565 6.150 54 HG22 THR 11 1HG2 THR 11 -13.165 -11.128 6.870 55 HG23 THR 11 2HG2 THR 11 -12.134 -10.464 5.602 56 H PHE 12 H PHE 12 -8.116 -9.698 7.492 57 HA PHE 12 HA PHE 12 -7.505 -9.019 10.156 58 HB2 PHE 12 1HB PHE 12 -6.106 -8.390 7.555 59 HB3 PHE 12 2HB PHE 12 -5.439 -7.978 9.131 60 HD1 PHE 12 2HD PHE 12 -6.635 -10.843 7.098 61 HD2 PHE 12 1HD PHE 12 -4.191 -9.532 10.326 62 HE1 PHE 12 2HE PHE 12 -5.653 -13.092 7.263 63 HE2 PHE 12 1HE PHE 12 -3.203 -11.779 10.496 64 HZ PHE 12 HZ PHE 12 -3.935 -13.563 8.964 65 H ASN 13 H ASN 13 -6.508 -6.790 10.679 66 HA ASN 13 HA ASN 13 -8.473 -4.749 9.892 67 HB2 ASN 13 1HB ASN 13 -7.814 -3.605 12.010 68 HB3 ASN 13 2HB ASN 13 -8.515 -5.200 12.266 69 HD21 ASN 13 1HD2 ASN 13 -5.856 -3.184 12.800 70 HD22 ASN 13 2HD2 ASN 13 -4.816 -4.345 13.546 71 HA PRO 14 HA PRO 14 -4.597 -3.335 7.857 72 HB2 PRO 14 1HB PRO 14 -5.870 -2.248 5.719 73 HB3 PRO 14 2HB PRO 14 -5.438 -3.960 5.812 74 HG2 PRO 14 1HG PRO 14 -8.071 -2.639 6.344 75 HG3 PRO 14 2HG PRO 14 -7.730 -4.139 5.461 76 HD2 PRO 14 1HD PRO 14 -8.616 -4.125 8.020 77 HD3 PRO 14 2HD PRO 14 -7.526 -5.379 7.393 78 H ARG 15 H ARG 15 -3.827 -1.203 7.490 79 HA ARG 15 HA ARG 15 -5.399 0.848 8.887 80 HB2 ARG 15 1HB ARG 15 -2.464 0.399 8.499 81 HB3 ARG 15 2HB ARG 15 -3.056 2.024 8.817 82 HG2 ARG 15 1HG ARG 15 -3.710 1.518 10.956 83 HG3 ARG 15 2HG ARG 15 -3.909 -0.200 10.604 84 HD2 ARG 15 1HD ARG 15 -1.972 -0.290 11.802 85 HD3 ARG 15 2HD ARG 15 -1.301 -0.042 10.190 86 HE ARG 15 HE ARG 15 -0.554 2.014 10.859 87 HH11 ARG 15 1HH1 ARG 15 -2.942 0.879 13.125 88 HH12 ARG 15 2HH1 ARG 15 -2.675 2.168 14.251 89 HH21 ARG 15 1HH2 ARG 15 -0.194 3.716 12.334 90 HH22 ARG 15 2HH2 ARG 15 -1.112 3.782 13.800 91 H GLU 16 H GLU 16 -6.100 2.626 7.865 92 HA GLU 16 HA GLU 16 -5.465 2.886 5.017 93 HB2 GLU 16 1HB GLU 16 -7.872 2.803 6.065 94 HB3 GLU 16 2HB GLU 16 -7.574 4.505 6.391 95 HG2 GLU 16 1HG GLU 16 -6.966 4.655 3.896 96 HG3 GLU 16 2HG GLU 16 -7.795 3.106 3.758 97 H CYS 17 H CYS 17 -4.055 4.364 4.379 98 HA CYS 17 HA CYS 17 -3.601 6.711 6.103 99 HB2 CYS 17 1HB CYS 17 -1.650 5.339 4.241 100 HB3 CYS 17 2HB CYS 17 -1.307 6.771 5.203 101 HG CYS 17 HG CYS 17 -0.545 3.871 6.041 102 H LYS 18 H LYS 18 -3.474 8.730 5.173 103 HA LYS 18 HA LYS 18 -4.104 8.888 2.300 104 HB2 LYS 18 1HB LYS 18 -5.437 10.164 4.633 105 HB3 LYS 18 2HB LYS 18 -5.272 11.129 3.172 106 HG2 LYS 18 1HG LYS 18 -6.667 9.769 1.950 107 HG3 LYS 18 2HG LYS 18 -6.384 8.368 2.987 108 HD2 LYS 18 1HD LYS 18 -7.705 10.763 4.164 109 HD3 LYS 18 2HD LYS 18 -8.647 9.726 3.091 110 HE2 LYS 18 1HE LYS 18 -9.033 8.873 5.241 111 HE3 LYS 18 2HE LYS 18 -7.840 7.785 4.533 112 HZ1 LYS 18 3HZ LYS 18 -7.442 8.578 6.897 113 HZ2 LYS 18 1HZ LYS 18 -7.034 10.074 6.220 114 HZ3 LYS 18 2HZ LYS 18 -6.142 8.694 5.821 115 H LEU 19 H LEU 19 -2.645 9.986 1.178 116 HA LEU 19 HA LEU 19 -0.882 11.852 2.613 117 HB2 LEU 19 1HB LEU 19 -0.505 10.008 0.321 118 HB3 LEU 19 2HB LEU 19 0.401 11.519 0.303 119 HG LEU 19 HG LEU 19 1.074 10.736 2.737 120 HD11 LEU 19 1HD1 LEU 19 1.117 8.038 1.580 121 HD12 LEU 19 2HD1 LEU 19 -0.473 8.614 2.080 122 HD13 LEU 19 3HD1 LEU 19 0.851 8.561 3.244 123 HD21 LEU 19 3HD2 LEU 19 2.866 9.254 1.355 124 HD22 LEU 19 1HD2 LEU 19 2.914 11.013 1.473 125 HD23 LEU 19 2HD2 LEU 19 2.190 10.244 0.061 126 H SER 20 H SER 20 -0.444 13.893 1.768 127 HA SER 20 HA SER 20 -2.041 14.756 -0.536 128 HB2 SER 20 1HB SER 20 -2.727 16.800 0.671 129 HB3 SER 20 2HB SER 20 -3.346 15.344 1.451 130 HG SER 20 HG SER 20 -2.467 16.736 2.995 131 H LYS 21 H LYS 21 -1.033 16.170 -1.857 132 HA LYS 21 HA LYS 21 1.337 17.591 -0.916 133 HB2 LYS 21 1HB LYS 21 2.784 16.767 -2.591 134 HB3 LYS 21 2HB LYS 21 2.006 15.345 -1.908 135 HG2 LYS 21 1HG LYS 21 0.659 15.032 -3.788 136 HG3 LYS 21 2HG LYS 21 0.940 16.673 -4.373 137 HD2 LYS 21 1HD LYS 21 3.384 15.998 -4.613 138 HD3 LYS 21 2HD LYS 21 2.835 14.337 -4.382 139 HE2 LYS 21 1HE LYS 21 1.728 16.179 -6.492 140 HE3 LYS 21 2HE LYS 21 3.074 15.075 -6.774 141 HZ1 LYS 21 3HZ LYS 21 1.710 13.325 -6.881 142 HZ2 LYS 21 1HZ LYS 21 0.480 14.459 -7.131 143 HZ3 LYS 21 2HZ LYS 21 0.756 13.839 -5.582 144 H GLN 22 H GLN 22 2.122 19.175 -2.564 145 HA GLN 22 HA GLN 22 -0.186 20.431 -3.837 146 HB2 GLN 22 1HB GLN 22 2.537 21.403 -3.024 147 HB3 GLN 22 2HB GLN 22 1.553 22.328 -4.150 148 HG2 GLN 22 1HG GLN 22 -0.279 22.153 -2.349 149 HG3 GLN 22 2HG GLN 22 1.044 21.714 -1.270 150 HE21 GLN 22 1HE2 GLN 22 2.073 23.307 -0.295 151 HE22 GLN 22 2HE2 GLN 22 2.048 24.969 -0.766 152 H GLU 23 H GLU 23 -0.028 21.313 -5.990 153 HA GLU 23 HA GLU 23 0.856 19.481 -7.895 154 HB2 GLU 23 1HB GLU 23 0.408 21.251 -9.554 155 HB3 GLU 23 2HB GLU 23 -0.894 21.091 -8.384 156 HG2 GLU 23 1HG GLU 23 0.419 22.993 -7.142 157 HG3 GLU 23 2HG GLU 23 1.065 23.295 -8.754 158 H GLY 24 H GLY 24 2.953 18.901 -7.984 159 HA2 GLY 24 1HA GLY 24 4.996 19.520 -9.215 160 HA3 GLY 24 2HA GLY 24 4.918 21.072 -8.393 161 H GLN 25 H GLN 25 4.275 20.074 -5.803 162 HA GLN 25 HA GLN 25 6.885 19.523 -4.851 163 HB2 GLN 25 1HB GLN 25 4.174 19.738 -3.632 164 HB3 GLN 25 2HB GLN 25 5.442 18.960 -2.694 165 HG2 GLN 25 1HG GLN 25 5.390 21.244 -2.070 166 HG3 GLN 25 2HG GLN 25 6.842 20.994 -3.039 167 HE21 GLN 25 1HE2 GLN 25 6.923 21.830 -5.141 168 HE22 GLN 25 2HE2 GLN 25 5.860 23.089 -5.657 169 H ASN 26 H ASN 26 7.279 17.654 -3.284 170 HA ASN 26 HA ASN 26 6.521 15.179 -4.660 171 HB2 ASN 26 1HB ASN 26 8.823 15.926 -2.870 172 HB3 ASN 26 2HB ASN 26 8.429 14.240 -3.194 173 HD21 ASN 26 1HD2 ASN 26 8.836 17.282 -4.978 174 HD22 ASN 26 2HD2 ASN 26 9.746 16.594 -6.276 175 H TYR 27 H TYR 27 6.499 13.212 -3.091 176 HA TYR 27 HA TYR 27 4.537 13.846 -1.015 177 HB2 TYR 27 1HB TYR 27 5.167 11.434 -2.649 178 HB3 TYR 27 2HB TYR 27 4.460 11.187 -1.056 179 HD1 TYR 27 2HD TYR 27 2.471 13.136 -0.690 180 HD2 TYR 27 1HD TYR 27 3.604 11.238 -4.325 181 HE1 TYR 27 2HE TYR 27 0.233 13.575 -1.610 182 HE2 TYR 27 1HE TYR 27 1.369 11.673 -5.256 183 HH TYR 27 HH TYR 27 -0.712 12.370 -4.800 184 H GLY 28 H GLY 28 7.741 12.545 -1.457 185 HA2 GLY 28 1HA GLY 28 9.350 12.677 0.313 186 HA3 GLY 28 2HA GLY 28 8.042 12.470 1.468 187 H PHE 29 H PHE 29 6.840 10.265 -0.054 188 HA PHE 29 HA PHE 29 8.769 8.177 0.705 189 HB2 PHE 29 1HB PHE 29 7.035 6.858 1.452 190 HB3 PHE 29 2HB PHE 29 6.373 8.455 1.784 191 HD1 PHE 29 1HD PHE 29 4.911 9.494 -0.093 192 HD2 PHE 29 2HD PHE 29 5.803 5.344 0.225 193 HE1 PHE 29 1HE PHE 29 2.947 8.969 -1.479 194 HE2 PHE 29 2HE PHE 29 3.841 4.813 -1.161 195 HZ PHE 29 HZ PHE 29 2.411 6.626 -2.016 196 H PHE 30 H PHE 30 9.172 6.454 -0.659 197 HA PHE 30 HA PHE 30 7.997 6.603 -3.352 198 HB2 PHE 30 1HB PHE 30 10.914 6.126 -2.702 199 HB3 PHE 30 2HB PHE 30 10.202 6.047 -4.311 200 HD1 PHE 30 1HD PHE 30 8.904 8.218 -5.043 201 HD2 PHE 30 2HD PHE 30 11.914 8.082 -2.037 202 HE1 PHE 30 1HE PHE 30 9.304 10.627 -5.340 203 HE2 PHE 30 2HE PHE 30 12.318 10.491 -2.329 204 HZ PHE 30 HZ PHE 30 11.012 11.767 -3.981 205 H LEU 31 H LEU 31 7.685 4.654 -4.411 206 HA LEU 31 HA LEU 31 7.435 2.356 -2.702 207 HB2 LEU 31 1HB LEU 31 6.945 2.664 -5.661 208 HB3 LEU 31 2HB LEU 31 6.493 1.264 -4.690 209 HG LEU 31 HG LEU 31 5.417 3.963 -3.987 210 HD11 LEU 31 1HD1 LEU 31 3.900 2.219 -5.861 211 HD12 LEU 31 2HD1 LEU 31 5.138 3.293 -6.510 212 HD13 LEU 31 3HD1 LEU 31 3.787 3.959 -5.593 213 HD21 LEU 31 3HD2 LEU 31 4.824 1.125 -3.419 214 HD22 LEU 31 1HD2 LEU 31 3.437 2.199 -3.603 215 HD23 LEU 31 2HD2 LEU 31 4.668 2.549 -2.389 216 H ARG 32 H ARG 32 9.294 1.370 -2.165 217 HA ARG 32 HA ARG 32 11.203 0.742 -4.316 218 HB2 ARG 32 1HB ARG 32 11.580 0.989 -1.331 219 HB3 ARG 32 2HB ARG 32 12.805 0.323 -2.403 220 HG2 ARG 32 1HG ARG 32 11.646 3.068 -2.780 221 HG3 ARG 32 2HG ARG 32 13.057 2.753 -1.768 222 HD2 ARG 32 1HD ARG 32 12.822 2.039 -4.689 223 HD3 ARG 32 2HD ARG 32 13.648 3.464 -4.060 224 HE ARG 32 HE ARG 32 14.781 1.310 -2.773 225 HH11 ARG 32 1HH1 ARG 32 14.404 2.381 -6.063 226 HH12 ARG 32 2HH1 ARG 32 15.867 1.632 -6.612 227 HH21 ARG 32 1HH2 ARG 32 16.709 0.319 -3.483 228 HH22 ARG 32 2HH2 ARG 32 17.177 0.459 -5.144 229 H ILE 33 H ILE 33 11.592 -1.321 -4.854 230 HA ILE 33 HA ILE 33 10.092 -3.396 -3.441 231 HB ILE 33 HB ILE 33 10.760 -4.824 -5.413 232 HG12 ILE 33 1HG1 ILE 33 11.521 -2.188 -6.673 233 HG13 ILE 33 2HG1 ILE 33 12.708 -3.310 -6.017 234 HG21 ILE 33 1HG2 ILE 33 8.562 -3.754 -5.209 235 HG22 ILE 33 2HG2 ILE 33 9.191 -2.323 -6.023 236 HG23 ILE 33 3HG2 ILE 33 9.089 -3.856 -6.889 237 HD11 ILE 33 3HD1 ILE 33 11.025 -3.530 -8.449 238 HD12 ILE 33 1HD1 ILE 33 12.728 -3.920 -8.208 239 HD13 ILE 33 2HD1 ILE 33 11.479 -5.008 -7.601 240 H GLU 34 H GLU 34 11.019 -5.097 -2.414 241 HA GLU 34 HA GLU 34 13.910 -4.951 -2.001 242 HB2 GLU 34 1HB GLU 34 11.666 -6.267 -0.491 243 HB3 GLU 34 2HB GLU 34 13.345 -6.679 -0.177 244 HG2 GLU 34 1HG GLU 34 13.690 -4.156 0.147 245 HG3 GLU 34 2HG GLU 34 11.933 -4.081 0.273 246 H LYS 35 H LYS 35 15.063 -7.077 -1.752 247 HA LYS 35 HA LYS 35 14.630 -8.641 -4.130 248 HB2 LYS 35 1HB LYS 35 16.728 -8.530 -2.001 249 HB3 LYS 35 2HB LYS 35 16.636 -9.951 -3.034 250 HG2 LYS 35 1HG LYS 35 18.217 -8.522 -4.026 251 HG3 LYS 35 2HG LYS 35 16.754 -8.374 -5.002 252 HD2 LYS 35 1HD LYS 35 16.205 -6.281 -3.994 253 HD3 LYS 35 2HD LYS 35 17.474 -6.468 -2.781 254 HE2 LYS 35 1HE LYS 35 18.486 -5.034 -4.266 255 HE3 LYS 35 2HE LYS 35 19.041 -6.595 -4.869 256 HZ1 LYS 35 3HZ LYS 35 16.728 -5.071 -5.940 257 HZ2 LYS 35 1HZ LYS 35 17.308 -6.545 -6.535 258 HZ3 LYS 35 2HZ LYS 35 18.260 -5.152 -6.654 259 H ASP 36 H ASP 36 13.357 -10.356 -4.247 260 HA ASP 36 HA ASP 36 12.152 -12.206 -3.697 261 HB2 ASP 36 1HB ASP 36 14.136 -12.464 -1.427 262 HB3 ASP 36 2HB ASP 36 13.085 -13.738 -2.041 263 H THR 37 H THR 37 10.947 -9.953 -2.933 264 HA THR 37 HA THR 37 9.612 -10.753 -0.457 265 HB THR 37 HB THR 37 10.422 -7.880 -0.912 266 HG1 THR 37 1HG THR 37 11.823 -8.543 1.029 267 HG21 THR 37 3HG2 THR 37 8.969 -9.381 1.215 268 HG22 THR 37 1HG2 THR 37 8.644 -7.784 0.541 269 HG23 THR 37 2HG2 THR 37 9.969 -8.007 1.684 270 H ASP 38 H ASP 38 7.447 -10.377 -0.446 271 HA ASP 38 HA ASP 38 6.294 -9.372 -2.934 272 HB2 ASP 38 1HB ASP 38 5.088 -10.897 -0.619 273 HB3 ASP 38 2HB ASP 38 4.165 -10.332 -2.008 274 H GLY 39 H GLY 39 4.508 -7.882 -2.916 275 HA2 GLY 39 1HA GLY 39 3.283 -6.080 -2.131 276 HA3 GLY 39 2HA GLY 39 3.890 -6.417 -0.516 277 H HIS 40 H HIS 40 3.623 -3.885 -2.088 278 HA HIS 40 HA HIS 40 6.327 -3.032 -2.600 279 HB2 HIS 40 1HB HIS 40 3.676 -1.592 -2.583 280 HB3 HIS 40 2HB HIS 40 5.203 -0.765 -2.875 281 HD1 HIS 40 1HD HIS 40 6.384 -1.216 -5.131 282 HD2 HIS 40 2HD HIS 40 2.751 -3.184 -4.688 283 HE1 HIS 40 1HE HIS 40 5.788 -2.053 -7.427 284 HE2 HIS 40 2HE HIS 40 3.546 -3.166 -7.150 285 H LEU 41 H LEU 41 7.694 -2.541 -1.026 286 HA LEU 41 HA LEU 41 6.655 -1.636 1.556 287 HB2 LEU 41 1HB LEU 41 9.473 -2.415 0.832 288 HB3 LEU 41 2HB LEU 41 8.822 -2.169 2.452 289 HG LEU 41 HG LEU 41 7.209 -4.144 1.649 290 HD11 LEU 41 1HD1 LEU 41 9.722 -5.131 0.436 291 HD12 LEU 41 2HD1 LEU 41 8.723 -4.053 -0.539 292 HD13 LEU 41 3HD1 LEU 41 8.047 -5.557 0.087 293 HD21 LEU 41 3HD2 LEU 41 9.836 -4.075 3.019 294 HD22 LEU 41 1HD2 LEU 41 9.190 -5.657 2.582 295 HD23 LEU 41 2HD2 LEU 41 8.254 -4.578 3.618 296 H ILE 42 H ILE 42 6.835 0.404 2.222 297 HA ILE 42 HA ILE 42 7.923 2.398 0.481 298 HB ILE 42 HB ILE 42 6.812 2.609 3.280 299 HG12 ILE 42 1HG1 ILE 42 5.020 3.879 1.807 300 HG13 ILE 42 2HG1 ILE 42 5.682 2.871 0.524 301 HG21 ILE 42 1HG2 ILE 42 8.467 4.396 2.687 302 HG22 ILE 42 2HG2 ILE 42 7.385 4.871 1.379 303 HG23 ILE 42 3HG2 ILE 42 6.844 4.979 3.053 304 HD11 ILE 42 3HD1 ILE 42 5.192 1.226 2.783 305 HD12 ILE 42 1HD1 ILE 42 3.756 2.202 2.476 306 HD13 ILE 42 2HD1 ILE 42 4.424 1.188 1.196 307 H ARG 43 H ARG 43 9.811 3.486 0.605 308 HA ARG 43 HA ARG 43 11.497 3.198 2.968 309 HB2 ARG 43 1HB ARG 43 11.938 1.412 1.065 310 HB3 ARG 43 2HB ARG 43 12.807 2.749 0.324 311 HG2 ARG 43 1HG ARG 43 14.197 2.952 2.328 312 HG3 ARG 43 2HG ARG 43 13.330 1.599 3.057 313 HD2 ARG 43 1HD ARG 43 14.263 0.053 1.617 314 HD3 ARG 43 2HD ARG 43 14.609 1.262 0.381 315 HE ARG 43 HE ARG 43 16.623 1.674 1.392 316 HH11 ARG 43 1HH1 ARG 43 14.592 -0.132 3.568 317 HH12 ARG 43 2HH1 ARG 43 15.853 -0.408 4.724 318 HH21 ARG 43 1HH2 ARG 43 18.291 1.318 2.906 319 HH22 ARG 43 2HH2 ARG 43 17.956 0.419 4.347 320 H VAL 44 H VAL 44 13.400 4.652 2.887 321 HA VAL 44 HA VAL 44 14.360 6.696 2.590 322 HB VAL 44 HB VAL 44 12.872 6.886 -0.026 323 HG11 VAL 44 1HG1 VAL 44 14.490 8.697 1.265 324 HG12 VAL 44 2HG1 VAL 44 15.595 7.905 0.140 325 HG13 VAL 44 3HG1 VAL 44 14.129 8.681 -0.460 326 HG21 VAL 44 3HG2 VAL 44 15.576 5.630 0.423 327 HG22 VAL 44 1HG2 VAL 44 14.082 4.720 0.198 328 HG23 VAL 44 2HG2 VAL 44 14.692 5.749 -1.098 329 H ILE 45 H ILE 45 12.308 6.764 4.260 330 HA ILE 45 HA ILE 45 10.333 8.718 3.460 331 HB ILE 45 HB ILE 45 10.873 7.463 6.154 332 HG12 ILE 45 1HG1 ILE 45 8.557 6.930 4.300 333 HG13 ILE 45 2HG1 ILE 45 10.054 6.009 4.207 334 HG21 ILE 45 1HG2 ILE 45 9.391 8.843 7.069 335 HG22 ILE 45 2HG2 ILE 45 9.443 9.787 5.581 336 HG23 ILE 45 3HG2 ILE 45 8.222 8.531 5.785 337 HD11 ILE 45 3HD1 ILE 45 7.832 5.702 5.986 338 HD12 ILE 45 1HD1 ILE 45 9.228 4.652 5.742 339 HD13 ILE 45 2HD1 ILE 45 9.315 5.980 6.901 340 H GLU 46 H GLU 46 11.138 10.719 3.165 341 HA GLU 46 HA GLU 46 13.239 11.828 4.733 342 HB2 GLU 46 1HB GLU 46 12.576 12.458 2.347 343 HB3 GLU 46 2HB GLU 46 11.278 13.398 3.070 344 HG2 GLU 46 1HG GLU 46 13.051 14.894 2.646 345 HG3 GLU 46 2HG GLU 46 13.024 14.620 4.388 346 H GLU 47 H GLU 47 13.136 13.557 6.225 347 HA GLU 47 HA GLU 47 10.990 13.360 8.081 348 HB2 GLU 47 1HB GLU 47 13.405 13.894 8.622 349 HB3 GLU 47 2HB GLU 47 13.106 15.511 8.001 350 HG2 GLU 47 1HG GLU 47 12.931 15.527 10.392 351 HG3 GLU 47 2HG GLU 47 11.339 15.806 9.688 352 H GLY 48 H GLY 48 9.679 15.170 8.849 353 HA2 GLY 48 1HA GLY 48 8.030 16.714 8.418 354 HA3 GLY 48 2HA GLY 48 9.320 17.609 7.628 355 H SER 49 H SER 49 8.005 14.489 6.631 356 HA SER 49 HA SER 49 7.238 15.728 4.080 357 HB2 SER 49 1HB SER 49 7.728 13.735 3.009 358 HB3 SER 49 2HB SER 49 8.895 13.692 4.331 359 HG SER 49 HG SER 49 7.879 12.046 5.168 360 HA PRO 50 HA PRO 50 2.958 15.054 4.785 361 HB2 PRO 50 1HB PRO 50 2.090 14.590 2.255 362 HB3 PRO 50 2HB PRO 50 2.585 16.189 2.823 363 HG2 PRO 50 1HG PRO 50 4.128 14.187 1.219 364 HG3 PRO 50 2HG PRO 50 4.015 15.944 1.005 365 HD2 PRO 50 1HD PRO 50 6.130 14.757 2.208 366 HD3 PRO 50 2HD PRO 50 5.554 16.372 2.666 367 H ALA 51 H ALA 51 5.001 12.596 3.678 368 HA ALA 51 HA ALA 51 2.943 10.568 3.433 369 HB1 ALA 51 3HB ALA 51 5.949 10.426 3.289 370 HB2 ALA 51 1HB ALA 51 4.883 9.033 3.098 371 HB3 ALA 51 2HB ALA 51 4.805 10.369 1.948 372 H GLU 52 H GLU 52 5.469 11.505 5.718 373 HA GLU 52 HA GLU 52 5.000 9.296 7.480 374 HB2 GLU 52 1HB GLU 52 7.154 10.667 7.237 375 HB3 GLU 52 2HB GLU 52 6.355 11.878 8.230 376 HG2 GLU 52 1HG GLU 52 7.862 10.337 9.473 377 HG3 GLU 52 2HG GLU 52 6.206 10.392 10.074 378 H LYS 53 H LYS 53 3.858 12.597 7.221 379 HA LYS 53 HA LYS 53 2.764 12.974 9.742 380 HB2 LYS 53 1HB LYS 53 2.089 14.005 7.016 381 HB3 LYS 53 2HB LYS 53 1.005 14.358 8.356 382 HG2 LYS 53 1HG LYS 53 3.036 15.253 9.579 383 HG3 LYS 53 2HG LYS 53 3.879 15.160 8.031 384 HD2 LYS 53 1HD LYS 53 3.111 17.337 8.015 385 HD3 LYS 53 2HD LYS 53 1.822 16.499 7.147 386 HE2 LYS 53 1HE LYS 53 1.662 16.841 10.114 387 HE3 LYS 53 2HE LYS 53 1.229 18.176 9.047 388 HZ1 LYS 53 3HZ LYS 53 -0.207 16.350 7.904 389 HZ2 LYS 53 1HZ LYS 53 -0.772 17.129 9.295 390 HZ3 LYS 53 2HZ LYS 53 -0.096 15.583 9.408 391 H ALA 54 H ALA 54 1.547 11.143 7.013 392 HA ALA 54 HA ALA 54 -1.061 10.722 8.125 393 HB1 ALA 54 3HB ALA 54 -0.355 10.635 5.652 394 HB2 ALA 54 1HB ALA 54 0.168 8.989 6.012 395 HB3 ALA 54 2HB ALA 54 -1.521 9.447 6.233 396 H GLY 55 H GLY 55 2.028 9.271 8.526 397 HA2 GLY 55 1HA GLY 55 2.360 7.851 10.461 398 HA3 GLY 55 2HA GLY 55 0.778 7.151 10.151 399 H LEU 56 H LEU 56 2.925 7.747 7.498 400 HA LEU 56 HA LEU 56 2.991 4.926 6.889 401 HB2 LEU 56 1HB LEU 56 2.766 6.952 5.271 402 HB3 LEU 56 2HB LEU 56 4.524 7.006 5.384 403 HG LEU 56 HG LEU 56 4.573 4.644 4.571 404 HD11 LEU 56 1HD1 LEU 56 1.940 4.748 3.371 405 HD12 LEU 56 2HD1 LEU 56 1.863 4.708 5.132 406 HD13 LEU 56 3HD1 LEU 56 2.728 3.443 4.259 407 HD21 LEU 56 3HD2 LEU 56 3.623 5.382 2.212 408 HD22 LEU 56 1HD2 LEU 56 5.114 6.057 2.868 409 HD23 LEU 56 2HD2 LEU 56 3.607 6.965 2.990 410 H LEU 57 H LEU 57 4.448 3.615 7.750 411 HA LEU 57 HA LEU 57 7.053 4.699 8.554 412 HB2 LEU 57 1HB LEU 57 7.113 2.255 9.591 413 HB3 LEU 57 2HB LEU 57 6.352 3.617 10.410 414 HG LEU 57 HG LEU 57 4.789 1.714 8.686 415 HD11 LEU 57 1HD1 LEU 57 6.087 1.092 11.125 416 HD12 LEU 57 2HD1 LEU 57 4.942 0.114 10.208 417 HD13 LEU 57 3HD1 LEU 57 4.358 1.222 11.449 418 HD21 LEU 57 3HD2 LEU 57 4.118 4.125 9.765 419 HD22 LEU 57 1HD2 LEU 57 3.578 3.007 11.017 420 HD23 LEU 57 2HD2 LEU 57 2.975 2.840 9.368 421 H ASP 58 H ASP 58 8.913 3.111 8.330 422 HA ASP 58 HA ASP 58 9.072 2.319 5.559 423 HB2 ASP 58 1HB ASP 58 10.920 3.445 6.970 424 HB3 ASP 58 2HB ASP 58 11.208 1.834 7.621 425 H GLY 59 H GLY 59 8.406 0.401 4.872 426 HA2 GLY 59 1HA GLY 59 8.918 -2.006 4.921 427 HA3 GLY 59 2HA GLY 59 8.764 -1.918 6.670 428 H ASP 60 H ASP 60 6.493 -0.026 4.995 429 HA ASP 60 HA ASP 60 4.372 -1.862 5.772 430 HB2 ASP 60 1HB ASP 60 4.502 1.027 5.008 431 HB3 ASP 60 2HB ASP 60 2.970 0.172 4.846 432 H ARG 61 H ARG 61 3.119 -2.995 4.400 433 HA ARG 61 HA ARG 61 3.786 -2.835 1.546 434 HB2 ARG 61 1HB ARG 61 2.700 -5.020 3.295 435 HB3 ARG 61 2HB ARG 61 2.487 -5.086 1.551 436 HG2 ARG 61 1HG ARG 61 4.409 -6.343 1.971 437 HG3 ARG 61 2HG ARG 61 5.009 -4.788 1.393 438 HD2 ARG 61 1HD ARG 61 6.352 -5.041 3.215 439 HD3 ARG 61 2HD ARG 61 4.984 -4.237 3.984 440 HE ARG 61 HE ARG 61 4.524 -6.173 5.126 441 HH11 ARG 61 1HH1 ARG 61 6.786 -6.846 2.567 442 HH12 ARG 61 2HH1 ARG 61 7.114 -8.460 3.104 443 HH21 ARG 61 1HH2 ARG 61 4.947 -8.297 5.843 444 HH22 ARG 61 2HH2 ARG 61 6.066 -9.285 4.966 445 H VAL 62 H VAL 62 2.408 -1.861 0.230 446 HA VAL 62 HA VAL 62 -0.235 -1.133 1.123 447 HB VAL 62 HB VAL 62 0.743 0.560 -0.140 448 HG11 VAL 62 1HG1 VAL 62 1.607 -0.025 -2.531 449 HG12 VAL 62 2HG1 VAL 62 2.626 -0.334 -1.124 450 HG13 VAL 62 3HG1 VAL 62 1.735 -1.657 -1.877 451 HG21 VAL 62 3HG2 VAL 62 -1.574 0.043 -0.848 452 HG22 VAL 62 1HG2 VAL 62 -0.615 0.801 -2.119 453 HG23 VAL 62 2HG2 VAL 62 -0.923 -0.935 -2.163 454 H LEU 63 H LEU 63 -2.116 -2.083 0.623 455 HA LEU 63 HA LEU 63 -2.036 -4.544 -0.929 456 HB2 LEU 63 1HB LEU 63 -4.227 -3.296 0.721 457 HB3 LEU 63 2HB LEU 63 -4.343 -4.854 -0.094 458 HG LEU 63 HG LEU 63 -2.149 -4.427 1.880 459 HD11 LEU 63 1HD1 LEU 63 -3.955 -3.609 3.162 460 HD12 LEU 63 2HD1 LEU 63 -3.742 -5.293 3.637 461 HD13 LEU 63 3HD1 LEU 63 -5.052 -4.844 2.545 462 HD21 LEU 63 3HD2 LEU 63 -3.659 -6.902 1.934 463 HD22 LEU 63 1HD2 LEU 63 -1.931 -6.636 1.704 464 HD23 LEU 63 2HD2 LEU 63 -3.029 -6.541 0.327 465 H ARG 64 H ARG 64 -3.927 -1.529 -0.853 466 HA ARG 64 HA ARG 64 -4.432 -1.885 -3.730 467 HB2 ARG 64 1HB ARG 64 -6.396 -1.072 -1.590 468 HB3 ARG 64 2HB ARG 64 -6.674 -0.764 -3.299 469 HG2 ARG 64 1HG ARG 64 -6.799 -3.059 -3.800 470 HG3 ARG 64 2HG ARG 64 -6.120 -3.515 -2.236 471 HD2 ARG 64 1HD ARG 64 -8.234 -2.232 -1.327 472 HD3 ARG 64 2HD ARG 64 -8.871 -2.606 -2.928 473 HE ARG 64 HE ARG 64 -9.208 -4.727 -2.188 474 HH11 ARG 64 1HH1 ARG 64 -6.598 -3.337 -0.351 475 HH12 ARG 64 2HH1 ARG 64 -6.387 -4.734 0.653 476 HH21 ARG 64 1HH2 ARG 64 -8.941 -6.572 -0.873 477 HH22 ARG 64 2HH2 ARG 64 -7.720 -6.574 0.354 478 H ILE 65 H ILE 65 -4.258 -0.079 -4.980 479 HA ILE 65 HA ILE 65 -3.351 2.360 -3.607 480 HB ILE 65 HB ILE 65 -1.919 1.045 -5.394 481 HG12 ILE 65 1HG1 ILE 65 -1.407 3.225 -4.215 482 HG13 ILE 65 2HG1 ILE 65 -0.696 3.050 -5.816 483 HG21 ILE 65 1HG2 ILE 65 -3.636 1.075 -7.127 484 HG22 ILE 65 2HG2 ILE 65 -3.625 2.838 -7.116 485 HG23 ILE 65 3HG2 ILE 65 -2.196 1.951 -7.647 486 HD11 ILE 65 3HD1 ILE 65 -1.813 4.800 -6.621 487 HD12 ILE 65 1HD1 ILE 65 -3.318 4.324 -5.834 488 HD13 ILE 65 2HD1 ILE 65 -2.092 5.213 -4.930 489 H ASN 66 H ASN 66 -4.550 4.141 -3.721 490 HA ASN 66 HA ASN 66 -6.384 5.446 -4.139 491 HB2 ASN 66 1HB ASN 66 -4.705 5.729 -6.131 492 HB3 ASN 66 2HB ASN 66 -5.955 4.902 -7.056 493 HD21 ASN 66 1HD2 ASN 66 -5.464 7.623 -4.852 494 HD22 ASN 66 2HD2 ASN 66 -6.641 8.654 -5.584 495 H GLY 67 H GLY 67 -6.959 2.613 -3.792 496 HA2 GLY 67 1HA GLY 67 -8.984 1.467 -3.741 497 HA3 GLY 67 2HA GLY 67 -9.648 2.643 -4.866 498 H VAL 68 H VAL 68 -6.793 0.549 -5.154 499 HA VAL 68 HA VAL 68 -8.118 -1.085 -7.154 500 HB VAL 68 HB VAL 68 -5.719 0.614 -7.847 501 HG11 VAL 68 1HG1 VAL 68 -5.731 -0.494 -10.008 502 HG12 VAL 68 2HG1 VAL 68 -5.500 -1.674 -8.717 503 HG13 VAL 68 3HG1 VAL 68 -7.074 -1.517 -9.497 504 HG21 VAL 68 3HG2 VAL 68 -8.479 0.511 -9.063 505 HG22 VAL 68 1HG2 VAL 68 -7.885 1.769 -7.978 506 HG23 VAL 68 2HG2 VAL 68 -7.152 1.557 -9.568 507 H PHE 69 H PHE 69 -7.485 -3.122 -6.913 508 HA PHE 69 HA PHE 69 -5.472 -3.857 -5.064 509 HB2 PHE 69 1HB PHE 69 -7.601 -5.150 -5.957 510 HB3 PHE 69 2HB PHE 69 -6.446 -5.795 -7.119 511 HD1 PHE 69 2HD PHE 69 -6.872 -5.286 -3.453 512 HD2 PHE 69 1HD PHE 69 -5.239 -7.678 -6.573 513 HE1 PHE 69 2HE PHE 69 -6.132 -6.943 -1.792 514 HE2 PHE 69 1HE PHE 69 -4.498 -9.339 -4.916 515 HZ PHE 69 HZ PHE 69 -4.943 -8.972 -2.522 516 H VAL 70 H VAL 70 -3.382 -3.499 -5.442 517 HA VAL 70 HA VAL 70 -2.306 -4.214 -8.094 518 HB VAL 70 HB VAL 70 -0.555 -2.557 -7.783 519 HG11 VAL 70 1HG1 VAL 70 -1.808 -0.810 -8.494 520 HG12 VAL 70 2HG1 VAL 70 -3.079 -2.034 -8.513 521 HG13 VAL 70 3HG1 VAL 70 -2.937 -0.929 -7.146 522 HG21 VAL 70 3HG2 VAL 70 -1.940 -1.958 -5.172 523 HG22 VAL 70 1HG2 VAL 70 -0.315 -2.609 -5.387 524 HG23 VAL 70 2HG2 VAL 70 -0.678 -0.958 -5.890 525 H ASP 71 H ASP 71 -2.642 -6.017 -5.879 526 HA ASP 71 HA ASP 71 -0.258 -6.376 -4.418 527 HB2 ASP 71 1HB ASP 71 -2.396 -7.417 -3.778 528 HB3 ASP 71 2HB ASP 71 -2.326 -8.438 -5.212 529 H LYS 72 H LYS 72 -1.424 -7.899 -7.412 530 HA LYS 72 HA LYS 72 1.175 -9.164 -7.804 531 HB2 LYS 72 1HB LYS 72 -0.749 -10.558 -8.226 532 HB3 LYS 72 2HB LYS 72 -1.428 -9.365 -9.325 533 HG2 LYS 72 1HG LYS 72 -0.527 -11.049 -10.688 534 HG3 LYS 72 2HG LYS 72 0.626 -9.714 -10.761 535 HD2 LYS 72 1HD LYS 72 2.042 -10.826 -9.123 536 HD3 LYS 72 2HD LYS 72 0.873 -12.141 -8.982 537 HE2 LYS 72 1HE LYS 72 1.202 -12.570 -11.429 538 HE3 LYS 72 2HE LYS 72 2.515 -11.395 -11.397 539 HZ1 LYS 72 3HZ LYS 72 3.777 -13.155 -10.913 540 HZ2 LYS 72 1HZ LYS 72 2.462 -14.116 -10.455 541 HZ3 LYS 72 2HZ LYS 72 3.142 -13.032 -9.350 542 H GLU 73 H GLU 73 -0.631 -6.434 -8.866 543 HA GLU 73 HA GLU 73 0.274 -5.922 -11.396 544 HB2 GLU 73 1HB GLU 73 -0.203 -4.040 -9.091 545 HB3 GLU 73 2HB GLU 73 0.205 -3.464 -10.702 546 HG2 GLU 73 1HG GLU 73 -2.201 -5.111 -9.954 547 HG3 GLU 73 2HG GLU 73 -2.185 -3.392 -10.347 548 H GLU 74 H GLU 74 1.913 -4.173 -12.012 549 HA GLU 74 HA GLU 74 4.455 -4.821 -10.684 550 HB2 GLU 74 1HB GLU 74 3.928 -5.236 -13.240 551 HB3 GLU 74 2HB GLU 74 4.336 -3.532 -13.376 552 HG2 GLU 74 1HG GLU 74 6.473 -4.175 -12.083 553 HG3 GLU 74 2HG GLU 74 6.068 -5.824 -12.556 554 H HIS 75 H HIS 75 5.944 -3.195 -10.198 555 HA HIS 75 HA HIS 75 5.130 -0.921 -9.004 556 HB2 HIS 75 1HB HIS 75 7.419 -1.601 -8.815 557 HB3 HIS 75 2HB HIS 75 7.690 -1.377 -10.541 558 HD1 HIS 75 1HD HIS 75 6.568 0.848 -7.652 559 HD2 HIS 75 2HD HIS 75 9.005 0.924 -11.016 560 HE1 HIS 75 1HE HIS 75 7.627 3.128 -7.663 561 HE2 HIS 75 2HE HIS 75 9.031 3.182 -9.753 562 H ALA 76 H ALA 76 6.288 -1.011 -12.378 563 HA ALA 76 HA ALA 76 5.883 1.593 -13.104 564 HB1 ALA 76 3HB ALA 76 5.863 0.892 -15.342 565 HB2 ALA 76 1HB ALA 76 6.806 -0.334 -14.494 566 HB3 ALA 76 2HB ALA 76 5.131 -0.661 -14.940 567 H GLN 77 H GLN 77 3.462 -0.981 -12.938 568 HA GLN 77 HA GLN 77 1.332 0.551 -14.014 569 HB2 GLN 77 1HB GLN 77 1.448 -1.968 -12.374 570 HB3 GLN 77 2HB GLN 77 -0.086 -1.236 -12.825 571 HG2 GLN 77 1HG GLN 77 1.990 -1.912 -14.875 572 HG3 GLN 77 2HG GLN 77 0.835 -3.109 -14.293 573 HE21 GLN 77 1HE2 GLN 77 1.136 0.024 -15.858 574 HE22 GLN 77 2HE2 GLN 77 -0.373 -0.041 -16.696 575 H VAL 78 H VAL 78 2.340 -0.185 -10.694 576 HA VAL 78 HA VAL 78 0.233 1.142 -9.389 577 HB VAL 78 HB VAL 78 3.054 0.749 -8.382 578 HG11 VAL 78 1HG1 VAL 78 2.146 2.190 -6.846 579 HG12 VAL 78 2HG1 VAL 78 0.501 1.608 -7.108 580 HG13 VAL 78 3HG1 VAL 78 1.642 0.642 -6.171 581 HG21 VAL 78 3HG2 VAL 78 0.749 -1.040 -7.724 582 HG22 VAL 78 1HG2 VAL 78 1.672 -1.289 -9.206 583 HG23 VAL 78 2HG2 VAL 78 2.480 -1.368 -7.641 584 H VAL 79 H VAL 79 3.575 2.250 -9.973 585 HA VAL 79 HA VAL 79 3.483 4.769 -8.957 586 HB VAL 79 HB VAL 79 5.504 3.870 -9.960 587 HG11 VAL 79 1HG1 VAL 79 5.728 4.012 -12.484 588 HG12 VAL 79 2HG1 VAL 79 4.734 2.696 -11.855 589 HG13 VAL 79 3HG1 VAL 79 3.970 4.135 -12.532 590 HG21 VAL 79 3HG2 VAL 79 6.300 5.931 -10.260 591 HG22 VAL 79 1HG2 VAL 79 5.327 6.170 -11.711 592 HG23 VAL 79 2HG2 VAL 79 4.636 6.500 -10.122 593 H GLU 80 H GLU 80 1.976 3.635 -11.905 594 HA GLU 80 HA GLU 80 1.359 6.188 -12.983 595 HB2 GLU 80 1HB GLU 80 1.383 4.143 -14.348 596 HB3 GLU 80 2HB GLU 80 0.007 3.524 -13.446 597 HG2 GLU 80 1HG GLU 80 -1.419 5.226 -14.309 598 HG3 GLU 80 2HG GLU 80 -0.056 6.070 -15.043 599 H LEU 81 H LEU 81 -0.297 4.006 -10.781 600 HA LEU 81 HA LEU 81 -2.778 5.394 -10.774 601 HB2 LEU 81 1HB LEU 81 -1.500 3.287 -9.112 602 HB3 LEU 81 2HB LEU 81 -2.884 4.147 -8.440 603 HG LEU 81 HG LEU 81 -3.548 2.037 -9.470 604 HD11 LEU 81 1HD1 LEU 81 -4.938 3.405 -11.422 605 HD12 LEU 81 2HD1 LEU 81 -4.556 4.648 -10.232 606 HD13 LEU 81 3HD1 LEU 81 -5.428 3.197 -9.741 607 HD21 LEU 81 3HD2 LEU 81 -2.055 1.554 -11.159 608 HD22 LEU 81 1HD2 LEU 81 -2.110 3.188 -11.821 609 HD23 LEU 81 2HD2 LEU 81 -3.465 2.088 -12.075 610 H VAL 82 H VAL 82 0.065 5.465 -8.657 611 HA VAL 82 HA VAL 82 -0.946 7.249 -6.741 612 HB VAL 82 HB VAL 82 1.900 6.767 -7.626 613 HG11 VAL 82 1HG1 VAL 82 2.038 7.690 -5.057 614 HG12 VAL 82 2HG1 VAL 82 2.363 8.649 -6.502 615 HG13 VAL 82 3HG1 VAL 82 0.769 8.701 -5.747 616 HG21 VAL 82 3HG2 VAL 82 0.158 5.111 -6.279 617 HG22 VAL 82 1HG2 VAL 82 1.917 4.995 -6.267 618 HG23 VAL 82 2HG2 VAL 82 1.082 5.867 -4.981 619 H ARG 83 H ARG 83 1.064 7.873 -9.614 620 HA ARG 83 HA ARG 83 1.165 10.667 -9.315 621 HB2 ARG 83 1HB ARG 83 2.101 10.735 -11.475 622 HB3 ARG 83 2HB ARG 83 2.605 9.186 -10.812 623 HG2 ARG 83 1HG ARG 83 0.812 8.076 -12.060 624 HG3 ARG 83 2HG ARG 83 0.338 9.633 -12.742 625 HD2 ARG 83 1HD ARG 83 2.653 9.832 -13.671 626 HD3 ARG 83 2HD ARG 83 2.945 8.177 -13.139 627 HE ARG 83 HE ARG 83 0.729 7.914 -14.633 628 HH11 ARG 83 1HH1 ARG 83 3.775 9.495 -15.221 629 HH12 ARG 83 2HH1 ARG 83 3.730 9.231 -16.933 630 HH21 ARG 83 1HH2 ARG 83 0.659 7.560 -16.886 631 HH22 ARG 83 2HH2 ARG 83 1.957 8.131 -17.879 632 H LYS 84 H LYS 84 -1.056 8.568 -11.099 633 HA LYS 84 HA LYS 84 -2.539 10.630 -12.332 634 HB2 LYS 84 1HB LYS 84 -3.031 7.733 -11.759 635 HB3 LYS 84 2HB LYS 84 -4.355 8.734 -12.339 636 HG2 LYS 84 1HG LYS 84 -2.940 9.363 -14.287 637 HG3 LYS 84 2HG LYS 84 -1.742 8.193 -13.728 638 HD2 LYS 84 1HD LYS 84 -3.024 7.070 -15.362 639 HD3 LYS 84 2HD LYS 84 -3.598 6.466 -13.806 640 HE2 LYS 84 1HE LYS 84 -5.540 7.849 -13.905 641 HE3 LYS 84 2HE LYS 84 -4.921 8.716 -15.309 642 HZ1 LYS 84 3HZ LYS 84 -5.726 7.174 -16.669 643 HZ2 LYS 84 1HZ LYS 84 -6.577 6.544 -15.350 644 HZ3 LYS 84 2HZ LYS 84 -5.069 5.903 -15.767 645 H SER 85 H SER 85 -2.976 8.869 -9.291 646 HA SER 85 HA SER 85 -5.401 9.551 -8.404 647 HB2 SER 85 1HB SER 85 -2.844 9.841 -6.809 648 HB3 SER 85 2HB SER 85 -4.462 9.760 -6.112 649 HG SER 85 HG SER 85 -2.964 7.744 -6.549 650 H GLY 86 H GLY 86 -2.608 11.748 -8.046 651 HA2 GLY 86 1HA GLY 86 -2.950 14.083 -8.777 652 HA3 GLY 86 2HA GLY 86 -4.535 13.989 -8.024 653 H ASN 87 H ASN 87 -4.343 15.571 -6.516 654 HA ASN 87 HA ASN 87 -2.028 15.999 -4.940 655 HB2 ASN 87 1HB ASN 87 -4.846 16.841 -4.248 656 HB3 ASN 87 2HB ASN 87 -3.343 17.592 -3.721 657 HD21 ASN 87 1HD2 ASN 87 -1.892 18.112 -5.757 658 HD22 ASN 87 2HD2 ASN 87 -2.708 19.023 -6.977 659 H SER 88 H SER 88 -5.181 14.536 -4.158 660 HA SER 88 HA SER 88 -4.051 13.472 -1.679 661 HB2 SER 88 1HB SER 88 -6.436 12.810 -1.209 662 HB3 SER 88 2HB SER 88 -6.184 14.545 -1.396 663 HG SER 88 HG SER 88 -7.910 14.119 -2.651 664 H VAL 89 H VAL 89 -3.962 11.291 -1.204 665 HA VAL 89 HA VAL 89 -4.799 9.368 -3.231 666 HB VAL 89 HB VAL 89 -1.965 9.336 -2.198 667 HG11 VAL 89 1HG1 VAL 89 -3.283 7.839 -4.461 668 HG12 VAL 89 2HG1 VAL 89 -1.610 7.672 -3.927 669 HG13 VAL 89 3HG1 VAL 89 -2.929 7.173 -2.867 670 HG21 VAL 89 3HG2 VAL 89 -2.093 11.278 -3.556 671 HG22 VAL 89 1HG2 VAL 89 -1.371 10.015 -4.552 672 HG23 VAL 89 2HG2 VAL 89 -3.066 10.449 -4.770 673 H THR 90 H THR 90 -5.148 7.299 -2.442 674 HA THR 90 HA THR 90 -4.978 7.034 0.489 675 HB THR 90 HB THR 90 -6.983 5.769 -1.390 676 HG1 THR 90 1HG THR 90 -7.093 8.133 -0.696 677 HG21 THR 90 3HG2 THR 90 -7.049 5.717 1.616 678 HG22 THR 90 1HG2 THR 90 -6.261 4.448 0.679 679 HG23 THR 90 2HG2 THR 90 -7.987 4.750 0.478 680 H LEU 91 H LEU 91 -4.140 5.188 1.367 681 HA LEU 91 HA LEU 91 -3.403 2.981 -0.395 682 HB2 LEU 91 1HB LEU 91 -1.403 4.309 1.423 683 HB3 LEU 91 2HB LEU 91 -1.114 2.943 0.348 684 HG LEU 91 HG LEU 91 -1.975 5.577 -0.781 685 HD11 LEU 91 1HD1 LEU 91 -0.033 5.917 0.791 686 HD12 LEU 91 2HD1 LEU 91 0.248 6.375 -0.888 687 HD13 LEU 91 3HD1 LEU 91 0.900 4.859 -0.267 688 HD21 LEU 91 3HD2 LEU 91 -1.619 3.196 -1.945 689 HD22 LEU 91 1HD2 LEU 91 0.033 3.807 -2.038 690 HD23 LEU 91 2HD2 LEU 91 -1.288 4.724 -2.763 691 H LEU 92 H LEU 92 -3.672 1.053 0.551 692 HA LEU 92 HA LEU 92 -4.345 1.020 3.402 693 HB2 LEU 92 1HB LEU 92 -4.982 -0.757 1.086 694 HB3 LEU 92 2HB LEU 92 -5.077 -1.388 2.729 695 HG LEU 92 HG LEU 92 -6.611 1.026 1.778 696 HD11 LEU 92 1HD1 LEU 92 -8.394 -0.273 1.189 697 HD12 LEU 92 2HD1 LEU 92 -7.904 -1.614 2.224 698 HD13 LEU 92 3HD1 LEU 92 -7.070 -1.330 0.697 699 HD21 LEU 92 3HD2 LEU 92 -7.508 1.130 3.838 700 HD22 LEU 92 1HD2 LEU 92 -6.047 0.262 4.313 701 HD23 LEU 92 2HD2 LEU 92 -7.545 -0.624 4.025 702 H VAL 93 H VAL 93 -2.674 0.605 4.690 703 HA VAL 93 HA VAL 93 -0.644 -1.331 3.804 704 HB VAL 93 HB VAL 93 0.752 -0.377 5.654 705 HG11 VAL 93 1HG1 VAL 93 1.205 0.349 3.438 706 HG12 VAL 93 2HG1 VAL 93 -0.194 1.425 3.435 707 HG13 VAL 93 3HG1 VAL 93 1.198 1.789 4.456 708 HG21 VAL 93 3HG2 VAL 93 -1.452 1.682 5.764 709 HG22 VAL 93 1HG2 VAL 93 -1.047 0.522 7.029 710 HG23 VAL 93 2HG2 VAL 93 0.100 1.790 6.596 711 H LEU 94 H LEU 94 -0.180 -3.128 4.986 712 HA LEU 94 HA LEU 94 -2.025 -3.738 7.186 713 HB2 LEU 94 1HB LEU 94 -1.818 -5.201 5.096 714 HB3 LEU 94 2HB LEU 94 -0.265 -5.708 5.758 715 HG LEU 94 HG LEU 94 -1.320 -6.728 7.643 716 HD11 LEU 94 1HD1 LEU 94 -3.821 -6.719 7.832 717 HD12 LEU 94 2HD1 LEU 94 -3.838 -5.433 6.625 718 HD13 LEU 94 3HD1 LEU 94 -3.037 -5.177 8.175 719 HD21 LEU 94 3HD2 LEU 94 -1.810 -7.506 4.976 720 HD22 LEU 94 1HD2 LEU 94 -3.285 -7.828 5.889 721 HD23 LEU 94 2HD2 LEU 94 -1.752 -8.524 6.416 722 H ASP 95 H ASP 95 -1.115 -5.182 8.919 723 HA ASP 95 HA ASP 95 1.194 -3.921 10.053 724 HB2 ASP 95 1HB ASP 95 0.039 -6.428 11.200 725 HB3 ASP 95 2HB ASP 95 0.640 -4.992 12.025 726 H GLY 96 H GLY 96 3.235 -4.722 10.343 727 HA2 GLY 96 1HA GLY 96 4.480 -6.252 8.498 728 HA3 GLY 96 2HA GLY 96 5.025 -6.180 10.167 729 H ASP 97 H ASP 97 3.824 -7.684 11.687 730 HA ASP 97 HA ASP 97 4.213 -10.321 10.922 731 HB2 ASP 97 1HB ASP 97 4.087 -9.567 13.268 732 HB3 ASP 97 2HB ASP 97 2.356 -9.300 13.082 733 H SER 98 H SER 98 1.181 -8.477 11.065 734 HA SER 98 HA SER 98 -0.664 -10.391 10.466 735 HB2 SER 98 1HB SER 98 -0.488 -7.531 9.516 736 HB3 SER 98 2HB SER 98 -1.890 -8.550 9.193 737 HG SER 98 HG SER 98 -1.969 -7.204 11.147 738 H TYR 99 H TYR 99 1.265 -8.567 8.096 739 HA TYR 99 HA TYR 99 0.257 -9.764 5.789 740 HB2 TYR 99 1HB TYR 99 1.871 -7.746 6.078 741 HB3 TYR 99 2HB TYR 99 3.143 -8.961 6.013 742 HD1 TYR 99 1HD TYR 99 0.254 -7.595 4.118 743 HD2 TYR 99 2HD TYR 99 3.886 -9.806 3.952 744 HE1 TYR 99 1HE TYR 99 0.164 -7.547 1.661 745 HE2 TYR 99 2HE TYR 99 3.807 -9.763 1.494 746 HH TYR 99 HH TYR 99 1.474 -9.408 -0.264 747 H GLU 100 H GLU 100 3.117 -10.651 7.713 748 HA GLU 100 HA GLU 100 3.963 -12.819 6.192 749 HB2 GLU 100 1HB GLU 100 4.138 -12.475 9.191 750 HB3 GLU 100 2HB GLU 100 5.086 -13.608 8.237 751 HG2 GLU 100 1HG GLU 100 6.054 -11.682 7.011 752 HG3 GLU 100 2HG GLU 100 5.193 -10.605 8.109 753 H LYS 101 H LYS 101 1.837 -12.838 9.051 754 HA LYS 101 HA LYS 101 1.277 -15.592 8.994 755 HB2 LYS 101 1HB LYS 101 0.805 -13.736 10.805 756 HB3 LYS 101 2HB LYS 101 -0.752 -13.635 9.994 757 HG2 LYS 101 1HG LYS 101 -1.047 -16.068 10.367 758 HG3 LYS 101 2HG LYS 101 0.453 -16.066 11.297 759 HD2 LYS 101 1HD LYS 101 -1.872 -14.273 11.957 760 HD3 LYS 101 2HD LYS 101 -1.702 -15.897 12.625 761 HE2 LYS 101 1HE LYS 101 0.444 -15.284 13.600 762 HE3 LYS 101 2HE LYS 101 0.320 -13.674 12.895 763 HZ1 LYS 101 3HZ LYS 101 -1.958 -14.412 14.488 764 HZ2 LYS 101 1HZ LYS 101 -1.032 -12.997 14.516 765 HZ3 LYS 101 2HZ LYS 101 -0.516 -14.362 15.371 766 H ALA 102 H ALA 102 -0.898 -12.919 8.055 767 HA ALA 102 HA ALA 102 -2.903 -14.376 6.886 768 HB1 ALA 102 3HB ALA 102 -2.436 -11.747 7.170 769 HB2 ALA 102 1HB ALA 102 -2.154 -11.916 5.437 770 HB3 ALA 102 2HB ALA 102 -3.702 -12.402 6.130 771 H VAL 103 H VAL 103 -0.241 -12.861 5.046 772 HA VAL 103 HA VAL 103 -0.704 -13.919 2.577 773 HB VAL 103 HB VAL 103 1.985 -13.525 3.895 774 HG11 VAL 103 1HG1 VAL 103 2.225 -13.158 1.141 775 HG12 VAL 103 2HG1 VAL 103 2.869 -14.493 2.098 776 HG13 VAL 103 3HG1 VAL 103 1.289 -14.640 1.328 777 HG21 VAL 103 3HG2 VAL 103 0.690 -11.701 1.901 778 HG22 VAL 103 1HG2 VAL 103 0.317 -11.578 3.620 779 HG23 VAL 103 2HG2 VAL 103 1.974 -11.352 3.059 780 H LYS 104 H LYS 104 1.119 -15.467 5.204 781 HA LYS 104 HA LYS 104 1.665 -17.845 3.733 782 HB2 LYS 104 1HB LYS 104 3.116 -17.253 5.553 783 HB3 LYS 104 2HB LYS 104 1.770 -17.216 6.685 784 HG2 LYS 104 1HG LYS 104 2.770 -19.232 7.170 785 HG3 LYS 104 2HG LYS 104 1.489 -19.711 6.054 786 HD2 LYS 104 1HD LYS 104 3.359 -20.862 5.270 787 HD3 LYS 104 2HD LYS 104 3.278 -19.444 4.221 788 HE2 LYS 104 1HE LYS 104 5.545 -19.669 4.848 789 HE3 LYS 104 2HE LYS 104 4.903 -18.336 5.807 790 HZ1 LYS 104 3HZ LYS 104 4.741 -19.744 7.701 791 HZ2 LYS 104 1HZ LYS 104 6.299 -19.931 7.070 792 HZ3 LYS 104 2HZ LYS 104 5.129 -21.122 6.801 793 H ASN 105 H ASN 105 -0.990 -16.734 5.666 794 HA ASN 105 HA ASN 105 -2.136 -19.358 6.030 795 HB2 ASN 105 1HB ASN 105 -3.177 -16.577 6.590 796 HB3 ASN 105 2HB ASN 105 -4.098 -18.041 6.921 797 HD21 ASN 105 1HD2 ASN 105 -3.801 -16.633 9.037 798 HD22 ASN 105 2HD2 ASN 105 -2.547 -17.207 10.078 799 H GLN 106 H GLN 106 -1.779 -17.549 3.380 800 HA GLN 106 HA GLN 106 -2.810 -17.391 1.357 801 HB2 GLN 106 1HB GLN 106 -4.089 -19.917 2.403 802 HB3 GLN 106 2HB GLN 106 -4.327 -19.325 0.764 803 HG2 GLN 106 1HG GLN 106 -1.574 -19.782 1.834 804 HG3 GLN 106 2HG GLN 106 -2.535 -21.119 1.205 805 HE21 GLN 106 1HE2 GLN 106 -1.471 -21.574 -0.628 806 HE22 GLN 106 2HE2 GLN 106 -1.237 -20.464 -1.931 807 H VAL 107 H VAL 107 -4.031 -16.100 3.742 808 HA VAL 107 HA VAL 107 -6.829 -16.205 3.654 809 HB VAL 107 HB VAL 107 -5.506 -15.114 5.459 810 HG11 VAL 107 1HG1 VAL 107 -3.889 -13.754 4.664 811 HG12 VAL 107 2HG1 VAL 107 -4.812 -13.319 3.224 812 HG13 VAL 107 3HG1 VAL 107 -5.161 -12.537 4.767 813 HG21 VAL 107 3HG2 VAL 107 -7.537 -13.260 4.224 814 HG22 VAL 107 1HG2 VAL 107 -7.947 -14.727 5.113 815 HG23 VAL 107 2HG2 VAL 107 -7.116 -13.404 5.931 816 H ASP 108 H ASP 108 -8.350 -14.724 2.754 817 HA ASP 108 HA ASP 108 -7.696 -13.967 0.052 818 HB2 ASP 108 1HB ASP 108 -10.284 -13.408 1.498 819 HB3 ASP 108 2HB ASP 108 -10.024 -13.558 -0.237 820 H LEU 109 H LEU 109 -6.099 -12.339 0.553 821 HA LEU 109 HA LEU 109 -6.479 -10.062 2.073 822 HB2 LEU 109 1HB LEU 109 -4.953 -10.378 -0.506 823 HB3 LEU 109 2HB LEU 109 -4.817 -8.991 0.573 824 HG LEU 109 HG LEU 109 -4.116 -11.820 1.349 825 HD11 LEU 109 1HD1 LEU 109 -1.865 -11.350 0.933 826 HD12 LEU 109 2HD1 LEU 109 -2.162 -9.622 0.758 827 HD13 LEU 109 3HD1 LEU 109 -2.708 -10.741 -0.491 828 HD21 LEU 109 3HD2 LEU 109 -4.785 -10.158 3.138 829 HD22 LEU 109 1HD2 LEU 109 -3.343 -9.244 2.694 830 HD23 LEU 109 2HD2 LEU 109 -3.189 -10.890 3.310 831 H LYS 110 H LYS 110 -7.462 -10.708 -1.254 832 HA LYS 110 HA LYS 110 -8.218 -8.240 -2.145 833 HB2 LYS 110 1HB LYS 110 -9.264 -10.990 -2.589 834 HB3 LYS 110 2HB LYS 110 -10.251 -9.650 -3.157 835 HG2 LYS 110 1HG LYS 110 -7.368 -9.657 -3.866 836 HG3 LYS 110 2HG LYS 110 -8.437 -10.795 -4.690 837 HD2 LYS 110 1HD LYS 110 -9.945 -8.688 -5.025 838 HD3 LYS 110 2HD LYS 110 -8.444 -7.806 -4.735 839 HE2 LYS 110 1HE LYS 110 -7.442 -8.623 -6.648 840 HE3 LYS 110 2HE LYS 110 -8.477 -10.049 -6.706 841 HZ1 LYS 110 3HZ LYS 110 -9.322 -7.267 -7.315 842 HZ2 LYS 110 1HZ LYS 110 -10.326 -8.628 -7.356 843 HZ3 LYS 110 2HZ LYS 110 -9.045 -8.489 -8.452 844 H GLU 111 H GLU 111 -9.610 -10.041 0.439 845 HA GLU 111 HA GLU 111 -12.130 -8.669 0.470 846 HB2 GLU 111 1HB GLU 111 -10.745 -10.395 2.527 847 HB3 GLU 111 2HB GLU 111 -12.362 -9.735 2.730 848 HG2 GLU 111 1HG GLU 111 -12.928 -10.917 0.540 849 HG3 GLU 111 2HG GLU 111 -11.417 -11.794 0.771 850 H LEU 112 H LEU 112 -9.021 -8.302 2.068 851 HA LEU 112 HA LEU 112 -9.560 -6.597 4.124 852 HB2 LEU 112 1HB LEU 112 -7.287 -6.222 2.182 853 HB3 LEU 112 2HB LEU 112 -7.343 -5.693 3.863 854 HG LEU 112 HG LEU 112 -7.419 -8.592 3.046 855 HD11 LEU 112 1HD1 LEU 112 -5.160 -6.715 3.242 856 HD12 LEU 112 2HD1 LEU 112 -5.307 -8.232 2.356 857 HD13 LEU 112 3HD1 LEU 112 -4.955 -8.252 4.084 858 HD21 LEU 112 3HD2 LEU 112 -7.035 -7.122 5.640 859 HD22 LEU 112 1HD2 LEU 112 -6.556 -8.806 5.426 860 HD23 LEU 112 2HD2 LEU 112 -8.246 -8.340 5.234 861 H ASP 113 H ASP 113 -10.872 -4.899 4.151 862 HA ASP 113 HA ASP 113 -10.337 -2.613 2.515 863 HB2 ASP 113 1HB ASP 113 -12.698 -4.357 1.931 864 HB3 ASP 113 2HB ASP 113 -12.854 -2.613 1.745 865 H GLN 114 H GLN 114 -10.326 -1.179 4.125 866 HA GLN 114 HA GLN 114 -11.557 -1.265 6.552 867 HB2 GLN 114 1HB GLN 114 -9.931 0.436 6.065 868 HB3 GLN 114 2HB GLN 114 -10.969 1.150 4.838 869 HG2 GLN 114 1HG GLN 114 -11.223 2.580 6.629 870 HG3 GLN 114 2HG GLN 114 -12.628 1.524 6.767 871 HE21 GLN 114 1HE2 GLN 114 -10.530 3.072 8.576 872 HE22 GLN 114 2HE2 GLN 114 -10.339 1.976 9.897 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -19.352 -20.679 31.693 2 HA2 GLY 1 1HA GLY 1 -17.481 -19.328 30.865 3 HA3 GLY 1 2HA GLY 1 -16.422 -20.657 31.312 4 H SER 2 H SER 2 -18.263 -19.254 28.843 5 HA SER 2 HA SER 2 -17.497 -21.400 27.027 6 HB2 SER 2 1HB SER 2 -20.345 -20.384 27.187 7 HB3 SER 2 2HB SER 2 -19.725 -21.562 26.031 8 HG SER 2 HG SER 2 -19.166 -22.846 27.945 9 H SER 3 H SER 3 -17.922 -20.754 24.713 10 HA SER 3 HA SER 3 -17.673 -17.836 24.390 11 HB2 SER 3 1HB SER 3 -16.088 -18.296 22.514 12 HB3 SER 3 2HB SER 3 -15.474 -18.803 24.087 13 HG SER 3 HG SER 3 -16.858 -20.608 22.422 14 H GLY 4 H GLY 4 -17.897 -17.304 21.911 15 HA2 GLY 4 1HA GLY 4 -20.363 -18.658 21.020 16 HA3 GLY 4 2HA GLY 4 -19.960 -16.982 20.677 17 H SER 5 H SER 5 -20.297 -17.345 18.448 18 HA SER 5 HA SER 5 -18.072 -18.781 17.158 19 HB2 SER 5 1HB SER 5 -21.004 -18.939 16.622 20 HB3 SER 5 2HB SER 5 -19.904 -19.034 15.246 21 HG SER 5 HG SER 5 -19.739 -21.053 15.799 22 H SER 6 H SER 6 -17.867 -18.069 14.787 23 HA SER 6 HA SER 6 -18.307 -15.162 14.599 24 HB2 SER 6 1HB SER 6 -15.872 -16.724 13.707 25 HB3 SER 6 2HB SER 6 -16.141 -15.009 13.394 26 HG SER 6 HG SER 6 -16.060 -16.167 15.984 27 H GLY 7 H GLY 7 -17.431 -18.001 12.618 28 HA2 GLY 7 1HA GLY 7 -18.902 -18.732 10.838 29 HA3 GLY 7 2HA GLY 7 -19.368 -17.053 10.606 30 H MET 8 H MET 8 -17.514 -15.572 9.967 31 HA MET 8 HA MET 8 -16.458 -16.391 7.529 32 HB2 MET 8 1HB MET 8 -15.033 -14.368 7.669 33 HB3 MET 8 2HB MET 8 -16.717 -14.046 8.062 34 HG2 MET 8 1HG MET 8 -15.924 -14.411 10.515 35 HG3 MET 8 2HG MET 8 -14.330 -14.078 9.843 36 HE1 MET 8 3HE MET 8 -17.688 -13.171 10.680 37 HE2 MET 8 1HE MET 8 -17.370 -11.605 11.426 38 HE3 MET 8 2HE MET 8 -18.062 -11.685 9.806 39 H ALA 9 H ALA 9 -14.019 -16.264 7.028 40 HA ALA 9 HA ALA 9 -12.735 -18.324 8.604 41 HB1 ALA 9 3HB ALA 9 -12.759 -17.837 5.953 42 HB2 ALA 9 1HB ALA 9 -11.236 -17.069 6.401 43 HB3 ALA 9 2HB ALA 9 -11.506 -18.773 6.768 44 H SER 10 H SER 10 -11.598 -15.184 7.339 45 HA SER 10 HA SER 10 -10.698 -14.214 9.826 46 HB2 SER 10 1HB SER 10 -8.776 -15.844 8.241 47 HB3 SER 10 2HB SER 10 -8.164 -14.364 8.979 48 HG SER 10 HG SER 10 -8.913 -16.733 10.145 49 H THR 11 H THR 11 -10.331 -12.075 9.678 50 HA THR 11 HA THR 11 -9.655 -10.925 7.066 51 HB THR 11 HB THR 11 -11.341 -9.156 7.337 52 HG1 THR 11 1HG THR 11 -11.914 -8.999 9.404 53 HG21 THR 11 3HG2 THR 11 -13.073 -10.363 6.428 54 HG22 THR 11 1HG2 THR 11 -12.904 -11.683 7.584 55 HG23 THR 11 2HG2 THR 11 -11.757 -11.524 6.254 56 H PHE 12 H PHE 12 -8.117 -9.421 7.202 57 HA PHE 12 HA PHE 12 -7.248 -8.551 9.842 58 HB2 PHE 12 1HB PHE 12 -6.003 -8.307 7.101 59 HB3 PHE 12 2HB PHE 12 -5.297 -7.600 8.550 60 HD1 PHE 12 2HD PHE 12 -6.400 -10.828 7.088 61 HD2 PHE 12 1HD PHE 12 -3.905 -8.859 9.919 62 HE1 PHE 12 2HE PHE 12 -5.274 -12.961 7.574 63 HE2 PHE 12 1HE PHE 12 -2.774 -10.989 10.409 64 HZ PHE 12 HZ PHE 12 -3.459 -13.044 9.236 65 H ASN 13 H ASN 13 -6.742 -6.311 10.275 66 HA ASN 13 HA ASN 13 -8.569 -4.484 8.863 67 HB2 ASN 13 1HB ASN 13 -8.526 -3.141 10.971 68 HB3 ASN 13 2HB ASN 13 -9.210 -4.751 11.174 69 HD21 ASN 13 1HD2 ASN 13 -7.420 -2.595 12.692 70 HD22 ASN 13 2HD2 ASN 13 -6.351 -3.617 13.586 71 HA PRO 14 HA PRO 14 -4.470 -2.882 7.655 72 HB2 PRO 14 1HB PRO 14 -5.368 -1.746 5.358 73 HB3 PRO 14 2HB PRO 14 -4.939 -3.457 5.480 74 HG2 PRO 14 1HG PRO 14 -7.639 -2.168 5.584 75 HG3 PRO 14 2HG PRO 14 -7.135 -3.640 4.735 76 HD2 PRO 14 1HD PRO 14 -8.448 -3.701 7.102 77 HD3 PRO 14 2HD PRO 14 -7.253 -4.931 6.641 78 H ARG 15 H ARG 15 -3.645 -0.786 7.668 79 HA ARG 15 HA ARG 15 -5.422 1.209 8.842 80 HB2 ARG 15 1HB ARG 15 -3.454 1.019 10.094 81 HB3 ARG 15 2HB ARG 15 -2.442 0.901 8.661 82 HG2 ARG 15 1HG ARG 15 -2.035 3.026 9.594 83 HG3 ARG 15 2HG ARG 15 -3.050 3.296 8.176 84 HD2 ARG 15 1HD ARG 15 -5.016 3.183 9.842 85 HD3 ARG 15 2HD ARG 15 -3.785 3.434 11.078 86 HE ARG 15 HE ARG 15 -3.339 5.412 9.248 87 HH11 ARG 15 1HH1 ARG 15 -6.062 4.378 11.155 88 HH12 ARG 15 2HH1 ARG 15 -6.748 5.964 11.274 89 HH21 ARG 15 1HH2 ARG 15 -4.232 7.506 9.397 90 HH22 ARG 15 2HH2 ARG 15 -5.707 7.743 10.273 91 H GLU 16 H GLU 16 -6.178 2.910 7.760 92 HA GLU 16 HA GLU 16 -5.481 3.244 4.977 93 HB2 GLU 16 1HB GLU 16 -7.805 3.431 5.555 94 HB3 GLU 16 2HB GLU 16 -7.459 4.654 6.770 95 HG2 GLU 16 1HG GLU 16 -6.712 5.192 3.942 96 HG3 GLU 16 2HG GLU 16 -8.405 5.306 4.417 97 H CYS 17 H CYS 17 -4.476 4.990 4.042 98 HA CYS 17 HA CYS 17 -3.460 7.099 5.803 99 HB2 CYS 17 1HB CYS 17 -1.632 5.543 5.708 100 HB3 CYS 17 2HB CYS 17 -1.787 5.385 3.962 101 HG CYS 17 HG CYS 17 0.141 7.382 5.622 102 H LYS 18 H LYS 18 -4.162 8.945 4.977 103 HA LYS 18 HA LYS 18 -4.522 9.176 2.076 104 HB2 LYS 18 1HB LYS 18 -5.647 10.693 4.419 105 HB3 LYS 18 2HB LYS 18 -5.743 11.331 2.783 106 HG2 LYS 18 1HG LYS 18 -6.872 9.164 2.141 107 HG3 LYS 18 2HG LYS 18 -6.988 8.823 3.869 108 HD2 LYS 18 1HD LYS 18 -8.285 10.839 4.214 109 HD3 LYS 18 2HD LYS 18 -8.092 11.286 2.517 110 HE2 LYS 18 1HE LYS 18 -9.426 8.745 3.432 111 HE3 LYS 18 2HE LYS 18 -10.300 10.242 3.113 112 HZ1 LYS 18 3HZ LYS 18 -10.168 8.558 1.243 113 HZ2 LYS 18 1HZ LYS 18 -8.544 9.002 1.082 114 HZ3 LYS 18 2HZ LYS 18 -9.762 10.154 0.856 115 H LEU 19 H LEU 19 -3.195 10.374 0.877 116 HA LEU 19 HA LEU 19 -1.306 12.156 2.263 117 HB2 LEU 19 1HB LEU 19 -1.074 10.380 -0.109 118 HB3 LEU 19 2HB LEU 19 -0.120 11.862 -0.086 119 HG LEU 19 HG LEU 19 0.845 11.093 2.101 120 HD11 LEU 19 1HD1 LEU 19 0.640 8.436 2.155 121 HD12 LEU 19 2HD1 LEU 19 -0.953 8.820 1.504 122 HD13 LEU 19 3HD1 LEU 19 -0.448 9.495 3.053 123 HD21 LEU 19 3HD2 LEU 19 1.809 8.935 0.573 124 HD22 LEU 19 1HD2 LEU 19 2.519 10.539 0.756 125 HD23 LEU 19 2HD2 LEU 19 1.397 10.217 -0.567 126 H SER 20 H SER 20 -0.826 14.188 1.364 127 HA SER 20 HA SER 20 -2.584 15.122 -0.789 128 HB2 SER 20 1HB SER 20 -3.192 17.122 0.445 129 HB3 SER 20 2HB SER 20 -3.628 15.704 1.399 130 HG SER 20 HG SER 20 -2.297 17.651 2.301 131 H LYS 21 H LYS 21 -1.469 16.157 -2.298 132 HA LYS 21 HA LYS 21 0.813 17.811 -1.568 133 HB2 LYS 21 1HB LYS 21 2.400 16.721 -2.891 134 HB3 LYS 21 2HB LYS 21 1.558 15.398 -2.096 135 HG2 LYS 21 1HG LYS 21 0.297 14.925 -4.071 136 HG3 LYS 21 2HG LYS 21 0.916 16.372 -4.870 137 HD2 LYS 21 1HD LYS 21 3.192 15.424 -4.756 138 HD3 LYS 21 2HD LYS 21 2.525 13.960 -4.030 139 HE2 LYS 21 1HE LYS 21 2.815 13.520 -6.347 140 HE3 LYS 21 2HE LYS 21 1.085 13.722 -6.072 141 HZ1 LYS 21 3HZ LYS 21 2.566 15.022 -7.949 142 HZ2 LYS 21 1HZ LYS 21 2.391 16.183 -6.731 143 HZ3 LYS 21 2HZ LYS 21 1.022 15.471 -7.423 144 H GLN 22 H GLN 22 1.633 19.052 -3.485 145 HA GLN 22 HA GLN 22 -0.652 19.839 -5.145 146 HB2 GLN 22 1HB GLN 22 1.889 21.279 -4.387 147 HB3 GLN 22 2HB GLN 22 0.760 21.893 -5.587 148 HG2 GLN 22 1HG GLN 22 -0.012 21.266 -2.751 149 HG3 GLN 22 2HG GLN 22 0.523 22.857 -3.293 150 HE21 GLN 22 1HE2 GLN 22 -0.703 23.680 -5.254 151 HE22 GLN 22 2HE2 GLN 22 -2.416 23.465 -5.230 152 H GLU 23 H GLU 23 -0.428 20.166 -7.387 153 HA GLU 23 HA GLU 23 0.829 18.226 -8.842 154 HB2 GLU 23 1HB GLU 23 0.747 19.978 -10.761 155 HB3 GLU 23 2HB GLU 23 -0.756 19.428 -10.033 156 HG2 GLU 23 1HG GLU 23 -0.940 21.424 -8.736 157 HG3 GLU 23 2HG GLU 23 0.669 21.951 -9.229 158 H GLY 24 H GLY 24 2.916 17.704 -8.849 159 HA2 GLY 24 1HA GLY 24 5.087 18.204 -9.798 160 HA3 GLY 24 2HA GLY 24 4.873 19.868 -9.276 161 H GLN 25 H GLN 25 3.882 19.164 -6.640 162 HA GLN 25 HA GLN 25 6.352 19.029 -5.273 163 HB2 GLN 25 1HB GLN 25 4.094 20.058 -4.524 164 HB3 GLN 25 2HB GLN 25 3.713 18.433 -3.971 165 HG2 GLN 25 1HG GLN 25 4.615 19.908 -2.204 166 HG3 GLN 25 2HG GLN 25 5.559 18.441 -2.457 167 HE21 GLN 25 1HE2 GLN 25 5.413 21.879 -3.205 168 HE22 GLN 25 2HE2 GLN 25 7.117 22.100 -3.380 169 H ASN 26 H ASN 26 6.816 17.416 -3.527 170 HA ASN 26 HA ASN 26 6.409 14.718 -4.599 171 HB2 ASN 26 1HB ASN 26 8.336 14.105 -3.132 172 HB3 ASN 26 2HB ASN 26 8.732 15.321 -4.342 173 HD21 ASN 26 1HD2 ASN 26 10.238 16.549 -3.453 174 HD22 ASN 26 2HD2 ASN 26 10.136 17.305 -1.903 175 H TYR 27 H TYR 27 6.476 12.976 -2.790 176 HA TYR 27 HA TYR 27 4.447 13.737 -0.802 177 HB2 TYR 27 1HB TYR 27 4.988 11.246 -2.343 178 HB3 TYR 27 2HB TYR 27 4.316 11.076 -0.725 179 HD1 TYR 27 2HD TYR 27 2.413 13.172 -0.435 180 HD2 TYR 27 1HD TYR 27 3.345 10.926 -3.926 181 HE1 TYR 27 2HE TYR 27 0.163 13.624 -1.320 182 HE2 TYR 27 1HE TYR 27 1.098 11.373 -4.821 183 HH TYR 27 HH TYR 27 -1.314 13.146 -2.927 184 H GLY 28 H GLY 28 7.623 12.377 -1.225 185 HA2 GLY 28 1HA GLY 28 9.220 12.619 0.575 186 HA3 GLY 28 2HA GLY 28 7.912 12.314 1.709 187 H PHE 29 H PHE 29 6.858 10.092 0.079 188 HA PHE 29 HA PHE 29 8.880 8.087 0.823 189 HB2 PHE 29 1HB PHE 29 7.200 6.643 1.480 190 HB3 PHE 29 2HB PHE 29 6.478 8.195 1.890 191 HD1 PHE 29 1HD PHE 29 4.952 9.265 0.104 192 HD2 PHE 29 2HD PHE 29 6.054 5.154 0.135 193 HE1 PHE 29 1HE PHE 29 3.010 8.738 -1.312 194 HE2 PHE 29 2HE PHE 29 4.115 4.620 -1.282 195 HZ PHE 29 HZ PHE 29 2.590 6.413 -2.008 196 H PHE 30 H PHE 30 9.423 6.454 -0.589 197 HA PHE 30 HA PHE 30 8.381 6.732 -3.332 198 HB2 PHE 30 1HB PHE 30 11.178 6.063 -2.405 199 HB3 PHE 30 2HB PHE 30 10.636 5.893 -4.071 200 HD1 PHE 30 1HD PHE 30 9.797 7.963 -5.271 201 HD2 PHE 30 2HD PHE 30 11.945 8.110 -1.599 202 HE1 PHE 30 1HE PHE 30 10.351 10.323 -5.693 203 HE2 PHE 30 2HE PHE 30 12.502 10.470 -2.015 204 HZ PHE 30 HZ PHE 30 11.705 11.580 -4.064 205 H LEU 31 H LEU 31 8.329 4.790 -4.617 206 HA LEU 31 HA LEU 31 7.600 2.475 -3.019 207 HB2 LEU 31 1HB LEU 31 7.258 3.246 -5.892 208 HB3 LEU 31 2HB LEU 31 7.013 1.579 -5.375 209 HG LEU 31 HG LEU 31 5.517 3.866 -4.124 210 HD11 LEU 31 1HD1 LEU 31 4.094 2.260 -6.113 211 HD12 LEU 31 2HD1 LEU 31 5.337 3.315 -6.785 212 HD13 LEU 31 3HD1 LEU 31 4.042 3.996 -5.802 213 HD21 LEU 31 3HD2 LEU 31 5.548 1.732 -2.925 214 HD22 LEU 31 1HD2 LEU 31 4.935 0.916 -4.364 215 HD23 LEU 31 2HD2 LEU 31 3.936 2.110 -3.535 216 H ARG 32 H ARG 32 8.758 0.654 -2.838 217 HA ARG 32 HA ARG 32 10.974 0.179 -4.697 218 HB2 ARG 32 1HB ARG 32 11.163 0.332 -1.695 219 HB3 ARG 32 2HB ARG 32 12.339 -0.554 -2.656 220 HG2 ARG 32 1HG ARG 32 11.761 2.258 -3.410 221 HG3 ARG 32 2HG ARG 32 12.717 1.960 -1.956 222 HD2 ARG 32 1HD ARG 32 14.285 0.615 -3.258 223 HD3 ARG 32 2HD ARG 32 13.322 0.887 -4.709 224 HE ARG 32 HE ARG 32 15.159 2.729 -3.470 225 HH11 ARG 32 1HH1 ARG 32 12.433 2.370 -5.605 226 HH12 ARG 32 2HH1 ARG 32 12.727 3.859 -6.442 227 HH21 ARG 32 1HH2 ARG 32 15.556 4.691 -4.564 228 HH22 ARG 32 2HH2 ARG 32 14.504 5.177 -5.850 229 H ILE 33 H ILE 33 10.979 -1.845 -5.420 230 HA ILE 33 HA ILE 33 9.374 -3.841 -3.980 231 HB ILE 33 HB ILE 33 9.267 -5.083 -6.071 232 HG12 ILE 33 1HG1 ILE 33 10.111 -3.685 -8.141 233 HG13 ILE 33 2HG1 ILE 33 11.208 -2.983 -6.956 234 HG21 ILE 33 1HG2 ILE 33 7.720 -3.114 -5.509 235 HG22 ILE 33 2HG2 ILE 33 8.602 -2.243 -6.762 236 HG23 ILE 33 3HG2 ILE 33 7.724 -3.718 -7.166 237 HD11 ILE 33 3HD1 ILE 33 12.560 -4.693 -7.309 238 HD12 ILE 33 1HD1 ILE 33 11.354 -5.742 -6.565 239 HD13 ILE 33 2HD1 ILE 33 11.357 -5.502 -8.313 240 H GLU 34 H GLU 34 10.165 -5.948 -3.652 241 HA GLU 34 HA GLU 34 13.079 -6.253 -3.951 242 HB2 GLU 34 1HB GLU 34 12.185 -5.758 -1.575 243 HB3 GLU 34 2HB GLU 34 11.570 -7.404 -1.621 244 HG2 GLU 34 1HG GLU 34 13.703 -7.337 -0.498 245 HG3 GLU 34 2HG GLU 34 13.838 -8.236 -2.008 246 H LYS 35 H LYS 35 13.841 -8.441 -4.105 247 HA LYS 35 HA LYS 35 12.161 -10.072 -5.734 248 HB2 LYS 35 1HB LYS 35 14.942 -10.306 -4.648 249 HB3 LYS 35 2HB LYS 35 14.171 -11.719 -5.357 250 HG2 LYS 35 1HG LYS 35 15.206 -10.903 -7.201 251 HG3 LYS 35 2HG LYS 35 13.685 -10.014 -7.322 252 HD2 LYS 35 1HD LYS 35 15.203 -8.312 -7.602 253 HD3 LYS 35 2HD LYS 35 14.960 -8.252 -5.854 254 HE2 LYS 35 1HE LYS 35 17.007 -9.278 -5.415 255 HE3 LYS 35 2HE LYS 35 17.139 -9.927 -7.048 256 HZ1 LYS 35 3HZ LYS 35 18.394 -7.717 -6.169 257 HZ2 LYS 35 1HZ LYS 35 17.035 -7.048 -6.923 258 HZ3 LYS 35 2HZ LYS 35 18.075 -8.056 -7.796 259 H ASP 36 H ASP 36 11.088 -11.931 -5.265 260 HA ASP 36 HA ASP 36 9.967 -13.472 -4.023 261 HB2 ASP 36 1HB ASP 36 12.582 -13.342 -2.532 262 HB3 ASP 36 2HB ASP 36 11.291 -14.440 -2.053 263 H THR 37 H THR 37 9.185 -10.887 -3.560 264 HA THR 37 HA THR 37 8.341 -11.047 -0.760 265 HB THR 37 HB THR 37 9.353 -8.489 -2.017 266 HG1 THR 37 1HG THR 37 10.975 -10.111 -1.367 267 HG21 THR 37 3HG2 THR 37 8.799 -8.858 0.894 268 HG22 THR 37 1HG2 THR 37 7.456 -8.540 -0.203 269 HG23 THR 37 2HG2 THR 37 8.782 -7.385 -0.075 270 H ASP 38 H ASP 38 6.223 -10.708 -0.519 271 HA ASP 38 HA ASP 38 4.652 -9.981 -2.845 272 HB2 ASP 38 1HB ASP 38 4.136 -11.860 -1.125 273 HB3 ASP 38 2HB ASP 38 3.510 -10.552 -0.125 274 H GLY 39 H GLY 39 3.228 -8.240 -2.975 275 HA2 GLY 39 1HA GLY 39 2.414 -6.130 -2.555 276 HA3 GLY 39 2HA GLY 39 2.833 -6.377 -0.866 277 H HIS 40 H HIS 40 3.139 -3.899 -1.821 278 HA HIS 40 HA HIS 40 5.957 -3.595 -2.565 279 HB2 HIS 40 1HB HIS 40 3.540 -1.848 -2.771 280 HB3 HIS 40 2HB HIS 40 5.127 -1.089 -2.684 281 HD1 HIS 40 1HD HIS 40 6.621 -1.240 -4.744 282 HD2 HIS 40 2HD HIS 40 3.067 -3.358 -5.124 283 HE1 HIS 40 1HE HIS 40 6.473 -1.875 -7.173 284 HE2 HIS 40 2HE HIS 40 4.274 -3.082 -7.395 285 H LEU 41 H LEU 41 7.413 -2.440 -1.331 286 HA LEU 41 HA LEU 41 6.545 -1.861 1.423 287 HB2 LEU 41 1HB LEU 41 9.349 -2.468 0.516 288 HB3 LEU 41 2HB LEU 41 8.747 -2.386 2.170 289 HG LEU 41 HG LEU 41 7.592 -4.434 0.342 290 HD11 LEU 41 1HD1 LEU 41 9.738 -5.648 1.686 291 HD12 LEU 41 2HD1 LEU 41 10.395 -4.222 0.884 292 HD13 LEU 41 3HD1 LEU 41 9.527 -5.438 -0.053 293 HD21 LEU 41 3HD2 LEU 41 6.739 -4.073 2.633 294 HD22 LEU 41 1HD2 LEU 41 8.336 -4.476 3.264 295 HD23 LEU 41 2HD2 LEU 41 7.400 -5.691 2.393 296 H ILE 42 H ILE 42 6.758 0.149 2.183 297 HA ILE 42 HA ILE 42 7.670 2.231 0.420 298 HB ILE 42 HB ILE 42 6.575 2.279 3.227 299 HG12 ILE 42 1HG1 ILE 42 4.865 3.735 1.783 300 HG13 ILE 42 2HG1 ILE 42 5.507 2.736 0.484 301 HG21 ILE 42 1HG2 ILE 42 6.509 4.872 2.182 302 HG22 ILE 42 2HG2 ILE 42 7.491 4.280 3.521 303 HG23 ILE 42 3HG2 ILE 42 8.143 4.279 1.883 304 HD11 ILE 42 3HD1 ILE 42 4.826 1.145 2.790 305 HD12 ILE 42 1HD1 ILE 42 3.452 2.096 2.226 306 HD13 ILE 42 2HD1 ILE 42 4.283 1.004 1.118 307 H ARG 43 H ARG 43 9.630 3.107 0.345 308 HA ARG 43 HA ARG 43 11.369 2.945 2.700 309 HB2 ARG 43 1HB ARG 43 11.768 1.136 0.828 310 HB3 ARG 43 2HB ARG 43 12.560 2.469 -0.001 311 HG2 ARG 43 1HG ARG 43 14.009 2.776 1.991 312 HG3 ARG 43 2HG ARG 43 13.276 1.330 2.690 313 HD2 ARG 43 1HD ARG 43 14.589 1.323 -0.014 314 HD3 ARG 43 2HD ARG 43 15.494 1.036 1.472 315 HE ARG 43 HE ARG 43 13.640 -0.762 0.185 316 HH11 ARG 43 1HH1 ARG 43 15.306 0.062 3.129 317 HH12 ARG 43 2HH1 ARG 43 15.182 -1.531 3.799 318 HH21 ARG 43 1HH2 ARG 43 13.470 -2.863 1.057 319 HH22 ARG 43 2HH2 ARG 43 14.138 -3.194 2.619 320 H VAL 44 H VAL 44 13.041 4.529 2.763 321 HA VAL 44 HA VAL 44 13.986 6.577 2.418 322 HB VAL 44 HB VAL 44 12.635 6.667 -0.274 323 HG11 VAL 44 1HG1 VAL 44 15.337 7.719 0.012 324 HG12 VAL 44 2HG1 VAL 44 13.899 8.463 -0.690 325 HG13 VAL 44 3HG1 VAL 44 14.165 8.526 1.053 326 HG21 VAL 44 3HG2 VAL 44 14.510 5.521 -1.229 327 HG22 VAL 44 1HG2 VAL 44 15.328 5.458 0.332 328 HG23 VAL 44 2HG2 VAL 44 13.860 4.518 0.068 329 H ILE 45 H ILE 45 11.797 6.576 3.949 330 HA ILE 45 HA ILE 45 9.805 8.427 3.000 331 HB ILE 45 HB ILE 45 10.283 7.361 5.785 332 HG12 ILE 45 1HG1 ILE 45 8.125 6.526 3.854 333 HG13 ILE 45 2HG1 ILE 45 9.691 5.724 3.898 334 HG21 ILE 45 1HG2 ILE 45 8.544 8.559 6.527 335 HG22 ILE 45 2HG2 ILE 45 8.810 9.556 5.098 336 HG23 ILE 45 3HG2 ILE 45 7.602 8.272 5.064 337 HD11 ILE 45 3HD1 ILE 45 7.487 5.698 5.888 338 HD12 ILE 45 1HD1 ILE 45 8.469 4.371 5.269 339 HD13 ILE 45 2HD1 ILE 45 9.147 5.495 6.448 340 H GLU 46 H GLU 46 10.997 10.293 2.488 341 HA GLU 46 HA GLU 46 12.859 11.617 4.009 342 HB2 GLU 46 1HB GLU 46 11.755 12.160 1.667 343 HB3 GLU 46 2HB GLU 46 10.765 13.243 2.636 344 HG2 GLU 46 1HG GLU 46 13.744 13.309 2.856 345 HG3 GLU 46 2HG GLU 46 12.919 14.139 1.538 346 H GLU 47 H GLU 47 12.764 13.368 5.487 347 HA GLU 47 HA GLU 47 10.657 13.087 7.429 348 HB2 GLU 47 1HB GLU 47 13.037 13.396 8.071 349 HB3 GLU 47 2HB GLU 47 12.984 15.017 7.393 350 HG2 GLU 47 1HG GLU 47 11.332 15.686 9.022 351 HG3 GLU 47 2HG GLU 47 11.263 14.045 9.662 352 H GLY 48 H GLY 48 9.611 15.051 8.384 353 HA2 GLY 48 1HA GLY 48 8.071 16.734 8.083 354 HA3 GLY 48 2HA GLY 48 9.371 17.518 7.197 355 H SER 49 H SER 49 7.801 14.517 6.246 356 HA SER 49 HA SER 49 6.805 15.901 3.846 357 HB2 SER 49 1HB SER 49 7.245 14.012 2.586 358 HB3 SER 49 2HB SER 49 8.533 13.904 3.785 359 HG SER 49 HG SER 49 7.540 12.257 4.736 360 HA PRO 50 HA PRO 50 2.635 15.012 4.885 361 HB2 PRO 50 1HB PRO 50 1.552 14.600 2.430 362 HB3 PRO 50 2HB PRO 50 2.040 16.197 3.009 363 HG2 PRO 50 1HG PRO 50 3.498 14.314 1.196 364 HG3 PRO 50 2HG PRO 50 3.301 16.071 1.059 365 HD2 PRO 50 1HD PRO 50 5.562 14.928 2.016 366 HD3 PRO 50 2HD PRO 50 4.973 16.503 2.586 367 H ALA 51 H ALA 51 4.665 12.674 3.548 368 HA ALA 51 HA ALA 51 2.651 10.576 3.445 369 HB1 ALA 51 3HB ALA 51 4.274 10.471 1.715 370 HB2 ALA 51 1HB ALA 51 5.605 10.595 2.866 371 HB3 ALA 51 2HB ALA 51 4.613 9.137 2.817 372 H GLU 52 H GLU 52 5.064 11.816 5.596 373 HA GLU 52 HA GLU 52 5.035 9.434 7.268 374 HB2 GLU 52 1HB GLU 52 7.086 10.942 6.783 375 HB3 GLU 52 2HB GLU 52 6.382 12.023 7.977 376 HG2 GLU 52 1HG GLU 52 6.348 10.010 9.536 377 HG3 GLU 52 2HG GLU 52 7.409 9.235 8.361 378 H LYS 53 H LYS 53 3.685 12.645 7.165 379 HA LYS 53 HA LYS 53 2.927 12.994 9.817 380 HB2 LYS 53 1HB LYS 53 1.204 14.511 8.964 381 HB3 LYS 53 2HB LYS 53 2.732 14.755 8.129 382 HG2 LYS 53 1HG LYS 53 1.950 13.653 6.184 383 HG3 LYS 53 2HG LYS 53 0.515 13.056 7.020 384 HD2 LYS 53 1HD LYS 53 0.067 15.617 7.404 385 HD3 LYS 53 2HD LYS 53 1.125 15.793 6.002 386 HE2 LYS 53 1HE LYS 53 -1.078 15.701 5.154 387 HE3 LYS 53 2HE LYS 53 -0.365 14.122 4.830 388 HZ1 LYS 53 3HZ LYS 53 -2.571 13.834 5.676 389 HZ2 LYS 53 1HZ LYS 53 -2.244 14.799 7.026 390 HZ3 LYS 53 2HZ LYS 53 -1.480 13.301 6.853 391 H ALA 54 H ALA 54 1.407 11.130 7.250 392 HA ALA 54 HA ALA 54 -0.987 10.560 8.692 393 HB1 ALA 54 3HB ALA 54 -1.374 10.266 6.472 394 HB2 ALA 54 1HB ALA 54 0.247 9.646 6.157 395 HB3 ALA 54 2HB ALA 54 -0.969 8.602 6.894 396 H GLY 55 H GLY 55 2.204 9.296 8.760 397 HA2 GLY 55 1HA GLY 55 2.818 7.944 10.682 398 HA3 GLY 55 2HA GLY 55 1.270 7.127 10.529 399 H LEU 56 H LEU 56 3.099 7.834 7.675 400 HA LEU 56 HA LEU 56 3.306 5.023 7.075 401 HB2 LEU 56 1HB LEU 56 2.793 6.961 5.459 402 HB3 LEU 56 2HB LEU 56 4.534 7.233 5.464 403 HG LEU 56 HG LEU 56 4.812 4.870 4.666 404 HD11 LEU 56 1HD1 LEU 56 2.271 4.482 5.428 405 HD12 LEU 56 2HD1 LEU 56 3.072 3.511 4.193 406 HD13 LEU 56 3HD1 LEU 56 2.016 4.841 3.720 407 HD21 LEU 56 3HD2 LEU 56 3.813 5.449 2.338 408 HD22 LEU 56 1HD2 LEU 56 5.114 6.440 2.999 409 HD23 LEU 56 2HD2 LEU 56 3.446 7.007 3.082 410 H LEU 57 H LEU 57 4.911 3.808 7.806 411 HA LEU 57 HA LEU 57 7.544 5.053 8.238 412 HB2 LEU 57 1HB LEU 57 6.112 2.806 9.598 413 HB3 LEU 57 2HB LEU 57 7.872 2.899 9.650 414 HG LEU 57 HG LEU 57 7.396 5.331 10.532 415 HD11 LEU 57 1HD1 LEU 57 5.390 5.534 11.817 416 HD12 LEU 57 2HD1 LEU 57 4.912 3.882 11.427 417 HD13 LEU 57 3HD1 LEU 57 4.943 5.111 10.163 418 HD21 LEU 57 3HD2 LEU 57 8.338 3.134 11.656 419 HD22 LEU 57 1HD2 LEU 57 6.808 3.210 12.530 420 HD23 LEU 57 2HD2 LEU 57 7.938 4.562 12.612 421 H ASP 58 H ASP 58 9.433 3.743 7.774 422 HA ASP 58 HA ASP 58 9.319 2.555 5.214 423 HB2 ASP 58 1HB ASP 58 11.396 3.466 5.637 424 HB3 ASP 58 2HB ASP 58 11.423 2.897 7.304 425 H GLY 59 H GLY 59 8.950 0.523 4.588 426 HA2 GLY 59 1HA GLY 59 9.378 -1.861 4.934 427 HA3 GLY 59 2HA GLY 59 9.058 -1.597 6.642 428 H ASP 60 H ASP 60 6.751 0.104 6.192 429 HA ASP 60 HA ASP 60 4.670 -1.596 6.441 430 HB2 ASP 60 1HB ASP 60 4.873 1.168 5.340 431 HB3 ASP 60 2HB ASP 60 3.340 0.318 5.163 432 H ARG 61 H ARG 61 2.932 -2.268 5.004 433 HA ARG 61 HA ARG 61 3.880 -2.781 2.261 434 HB2 ARG 61 1HB ARG 61 2.673 -4.599 4.285 435 HB3 ARG 61 2HB ARG 61 2.225 -4.844 2.602 436 HG2 ARG 61 1HG ARG 61 4.023 -6.219 2.702 437 HG3 ARG 61 2HG ARG 61 4.849 -4.720 2.271 438 HD2 ARG 61 1HD ARG 61 5.637 -4.388 4.435 439 HD3 ARG 61 2HD ARG 61 4.431 -5.463 5.141 440 HE ARG 61 HE ARG 61 7.005 -6.190 4.194 441 HH11 ARG 61 1HH1 ARG 61 3.720 -7.323 4.409 442 HH12 ARG 61 2HH1 ARG 61 4.159 -8.999 4.397 443 HH21 ARG 61 1HH2 ARG 61 7.596 -8.393 4.179 444 HH22 ARG 61 2HH2 ARG 61 6.364 -9.606 4.267 445 H VAL 62 H VAL 62 2.646 -1.916 0.740 446 HA VAL 62 HA VAL 62 0.009 -0.899 1.421 447 HB VAL 62 HB VAL 62 1.249 0.662 0.184 448 HG11 VAL 62 1HG1 VAL 62 2.319 -1.702 -1.120 449 HG12 VAL 62 2HG1 VAL 62 1.944 -0.411 -2.264 450 HG13 VAL 62 3HG1 VAL 62 3.034 -0.103 -0.912 451 HG21 VAL 62 3HG2 VAL 62 -1.124 -0.321 -0.804 452 HG22 VAL 62 1HG2 VAL 62 -0.351 1.189 -1.285 453 HG23 VAL 62 2HG2 VAL 62 -0.087 -0.276 -2.230 454 H LEU 63 H LEU 63 -1.773 -2.041 1.099 455 HA LEU 63 HA LEU 63 -1.708 -4.412 -0.574 456 HB2 LEU 63 1HB LEU 63 -3.890 -3.259 1.157 457 HB3 LEU 63 2HB LEU 63 -3.980 -4.801 0.308 458 HG LEU 63 HG LEU 63 -1.751 -4.374 2.237 459 HD11 LEU 63 1HD1 LEU 63 -3.485 -5.452 3.908 460 HD12 LEU 63 2HD1 LEU 63 -4.636 -4.545 2.928 461 HD13 LEU 63 3HD1 LEU 63 -3.322 -3.703 3.748 462 HD21 LEU 63 3HD2 LEU 63 -2.822 -6.865 2.594 463 HD22 LEU 63 1HD2 LEU 63 -1.475 -6.476 1.524 464 HD23 LEU 63 2HD2 LEU 63 -3.113 -6.574 0.878 465 H ARG 64 H ARG 64 -3.690 -1.460 -0.334 466 HA ARG 64 HA ARG 64 -4.263 -1.731 -3.210 467 HB2 ARG 64 1HB ARG 64 -6.169 -0.788 -1.059 468 HB3 ARG 64 2HB ARG 64 -6.500 -0.772 -2.786 469 HG2 ARG 64 1HG ARG 64 -6.302 -3.215 -2.838 470 HG3 ARG 64 2HG ARG 64 -6.005 -3.216 -1.099 471 HD2 ARG 64 1HD ARG 64 -8.174 -2.714 -0.588 472 HD3 ARG 64 2HD ARG 64 -8.438 -1.835 -2.093 473 HE ARG 64 HE ARG 64 -8.937 -4.603 -1.615 474 HH11 ARG 64 1HH1 ARG 64 -8.012 -2.299 -4.055 475 HH12 ARG 64 2HH1 ARG 64 -8.610 -3.256 -5.370 476 HH21 ARG 64 1HH2 ARG 64 -9.727 -5.872 -3.337 477 HH22 ARG 64 2HH2 ARG 64 -9.586 -5.288 -4.961 478 H ILE 65 H ILE 65 -4.080 0.085 -4.427 479 HA ILE 65 HA ILE 65 -3.247 2.535 -3.017 480 HB ILE 65 HB ILE 65 -1.617 1.282 -4.610 481 HG12 ILE 65 1HG1 ILE 65 -1.036 3.410 -3.680 482 HG13 ILE 65 2HG1 ILE 65 -0.720 3.502 -5.409 483 HG21 ILE 65 1HG2 ILE 65 -3.339 1.121 -6.426 484 HG22 ILE 65 2HG2 ILE 65 -3.161 2.860 -6.657 485 HG23 ILE 65 3HG2 ILE 65 -1.786 1.789 -6.930 486 HD11 ILE 65 3HD1 ILE 65 -3.057 4.542 -5.572 487 HD12 ILE 65 1HD1 ILE 65 -2.917 4.772 -3.830 488 HD13 ILE 65 2HD1 ILE 65 -1.745 5.521 -4.915 489 H ASN 66 H ASN 66 -4.591 4.198 -3.140 490 HA ASN 66 HA ASN 66 -6.348 5.514 -3.748 491 HB2 ASN 66 1HB ASN 66 -4.599 5.813 -5.640 492 HB3 ASN 66 2HB ASN 66 -5.710 4.852 -6.611 493 HD21 ASN 66 1HD2 ASN 66 -5.295 7.834 -4.844 494 HD22 ASN 66 2HD2 ASN 66 -6.588 8.691 -5.605 495 H GLY 67 H GLY 67 -6.797 2.581 -3.463 496 HA2 GLY 67 1HA GLY 67 -8.844 1.441 -3.422 497 HA3 GLY 67 2HA GLY 67 -9.470 2.566 -4.618 498 H VAL 68 H VAL 68 -6.473 0.723 -4.856 499 HA VAL 68 HA VAL 68 -7.688 -1.075 -6.812 500 HB VAL 68 HB VAL 68 -5.255 0.603 -7.446 501 HG11 VAL 68 1HG1 VAL 68 -5.141 -0.512 -9.525 502 HG12 VAL 68 2HG1 VAL 68 -5.307 -1.779 -8.308 503 HG13 VAL 68 3HG1 VAL 68 -6.700 -1.296 -9.277 504 HG21 VAL 68 3HG2 VAL 68 -6.645 1.617 -9.178 505 HG22 VAL 68 1HG2 VAL 68 -8.023 0.652 -8.648 506 HG23 VAL 68 2HG2 VAL 68 -7.341 1.879 -7.579 507 H PHE 69 H PHE 69 -7.086 -3.071 -6.330 508 HA PHE 69 HA PHE 69 -5.169 -3.732 -4.411 509 HB2 PHE 69 1HB PHE 69 -7.104 -5.158 -5.285 510 HB3 PHE 69 2HB PHE 69 -6.040 -5.590 -6.619 511 HD1 PHE 69 2HD PHE 69 -5.837 -5.368 -2.896 512 HD2 PHE 69 1HD PHE 69 -4.962 -7.595 -6.416 513 HE1 PHE 69 2HE PHE 69 -4.842 -7.148 -1.519 514 HE2 PHE 69 1HE PHE 69 -3.966 -9.378 -5.045 515 HZ PHE 69 HZ PHE 69 -3.905 -9.156 -2.593 516 H VAL 70 H VAL 70 -3.073 -3.270 -4.586 517 HA VAL 70 HA VAL 70 -1.725 -3.842 -7.145 518 HB VAL 70 HB VAL 70 0.070 -2.262 -6.205 519 HG11 VAL 70 1HG1 VAL 70 -1.412 -0.230 -6.858 520 HG12 VAL 70 2HG1 VAL 70 -1.054 -1.468 -8.063 521 HG13 VAL 70 3HG1 VAL 70 -2.616 -1.459 -7.243 522 HG21 VAL 70 3HG2 VAL 70 -1.981 -0.794 -4.724 523 HG22 VAL 70 1HG2 VAL 70 -1.500 -2.313 -3.968 524 HG23 VAL 70 2HG2 VAL 70 -0.287 -1.086 -4.330 525 H ASP 71 H ASP 71 -2.043 -6.023 -5.684 526 HA ASP 71 HA ASP 71 0.223 -6.394 -3.901 527 HB2 ASP 71 1HB ASP 71 -1.871 -7.408 -3.233 528 HB3 ASP 71 2HB ASP 71 -1.990 -8.264 -4.767 529 H LYS 72 H LYS 72 -0.839 -7.351 -7.109 530 HA LYS 72 HA LYS 72 1.717 -8.757 -7.506 531 HB2 LYS 72 1HB LYS 72 -0.993 -9.082 -8.754 532 HB3 LYS 72 2HB LYS 72 0.446 -9.636 -9.599 533 HG2 LYS 72 1HG LYS 72 0.025 -10.491 -6.781 534 HG3 LYS 72 2HG LYS 72 -0.929 -11.248 -8.058 535 HD2 LYS 72 1HD LYS 72 1.275 -11.657 -9.255 536 HD3 LYS 72 2HD LYS 72 2.063 -11.206 -7.741 537 HE2 LYS 72 1HE LYS 72 1.929 -13.508 -7.561 538 HE3 LYS 72 2HE LYS 72 0.492 -12.978 -6.688 539 HZ1 LYS 72 3HZ LYS 72 0.293 -14.858 -8.418 540 HZ2 LYS 72 1HZ LYS 72 0.322 -13.609 -9.559 541 HZ3 LYS 72 2HZ LYS 72 -0.893 -13.652 -8.383 542 H GLU 73 H GLU 73 -0.258 -6.111 -8.538 543 HA GLU 73 HA GLU 73 0.594 -5.523 -11.059 544 HB2 GLU 73 1HB GLU 73 0.026 -3.722 -8.718 545 HB3 GLU 73 2HB GLU 73 0.468 -3.065 -10.287 546 HG2 GLU 73 1HG GLU 73 -1.887 -4.859 -9.744 547 HG3 GLU 73 2HG GLU 73 -1.951 -3.110 -9.952 548 H GLU 74 H GLU 74 2.256 -4.161 -11.925 549 HA GLU 74 HA GLU 74 4.815 -4.631 -10.651 550 HB2 GLU 74 1HB GLU 74 4.324 -4.921 -13.142 551 HB3 GLU 74 2HB GLU 74 4.345 -3.166 -13.242 552 HG2 GLU 74 1HG GLU 74 6.647 -3.182 -12.345 553 HG3 GLU 74 2HG GLU 74 6.614 -4.944 -12.379 554 H HIS 75 H HIS 75 6.348 -3.004 -10.179 555 HA HIS 75 HA HIS 75 5.535 -0.875 -8.692 556 HB2 HIS 75 1HB HIS 75 7.850 -1.643 -8.725 557 HB3 HIS 75 2HB HIS 75 8.046 -1.047 -10.371 558 HD1 HIS 75 1HD HIS 75 7.436 1.718 -10.477 559 HD2 HIS 75 2HD HIS 75 8.854 0.090 -6.927 560 HE1 HIS 75 1HE HIS 75 8.336 3.661 -9.158 561 HE2 HIS 75 2HE HIS 75 9.266 2.641 -7.052 562 H ALA 76 H ALA 76 6.255 -0.847 -12.164 563 HA ALA 76 HA ALA 76 5.772 1.927 -12.522 564 HB1 ALA 76 3HB ALA 76 6.147 1.568 -14.766 565 HB2 ALA 76 1HB ALA 76 7.015 0.213 -14.044 566 HB3 ALA 76 2HB ALA 76 5.414 -0.035 -14.743 567 H GLN 77 H GLN 77 3.736 -0.923 -12.598 568 HA GLN 77 HA GLN 77 1.479 0.396 -13.767 569 HB2 GLN 77 1HB GLN 77 1.983 -2.272 -12.524 570 HB3 GLN 77 2HB GLN 77 0.321 -1.730 -12.714 571 HG2 GLN 77 1HG GLN 77 1.153 -1.237 -15.176 572 HG3 GLN 77 2HG GLN 77 2.319 -2.493 -14.765 573 HE21 GLN 77 1HE2 GLN 77 -0.945 -1.770 -15.532 574 HE22 GLN 77 2HE2 GLN 77 -1.534 -3.394 -15.552 575 H VAL 78 H VAL 78 2.791 0.140 -10.604 576 HA VAL 78 HA VAL 78 0.286 0.887 -9.310 577 HB VAL 78 HB VAL 78 2.992 0.542 -8.020 578 HG11 VAL 78 1HG1 VAL 78 1.986 0.982 -6.080 579 HG12 VAL 78 2HG1 VAL 78 0.622 1.576 -7.029 580 HG13 VAL 78 3HG1 VAL 78 0.637 -0.090 -6.452 581 HG21 VAL 78 3HG2 VAL 78 1.658 -1.693 -7.334 582 HG22 VAL 78 1HG2 VAL 78 1.026 -1.445 -8.961 583 HG23 VAL 78 2HG2 VAL 78 2.764 -1.600 -8.705 584 H VAL 79 H VAL 79 3.611 2.154 -9.533 585 HA VAL 79 HA VAL 79 3.223 4.575 -8.251 586 HB VAL 79 HB VAL 79 5.437 3.767 -8.910 587 HG11 VAL 79 1HG1 VAL 79 5.148 4.744 -11.687 588 HG12 VAL 79 2HG1 VAL 79 6.130 3.427 -11.042 589 HG13 VAL 79 3HG1 VAL 79 4.402 3.192 -11.307 590 HG21 VAL 79 3HG2 VAL 79 6.172 5.860 -8.747 591 HG22 VAL 79 1HG2 VAL 79 5.608 6.237 -10.375 592 HG23 VAL 79 2HG2 VAL 79 4.515 6.407 -9.000 593 H GLU 80 H GLU 80 2.264 3.586 -11.444 594 HA GLU 80 HA GLU 80 1.875 6.142 -12.579 595 HB2 GLU 80 1HB GLU 80 1.001 5.041 -14.382 596 HB3 GLU 80 2HB GLU 80 1.843 3.701 -13.618 597 HG2 GLU 80 1HG GLU 80 -0.301 3.097 -12.494 598 HG3 GLU 80 2HG GLU 80 -1.093 4.330 -13.473 599 H LEU 81 H LEU 81 -0.290 3.966 -10.811 600 HA LEU 81 HA LEU 81 -2.617 5.536 -11.070 601 HB2 LEU 81 1HB LEU 81 -1.820 3.539 -8.959 602 HB3 LEU 81 2HB LEU 81 -3.432 4.234 -9.114 603 HG LEU 81 HG LEU 81 -2.274 2.813 -11.460 604 HD11 LEU 81 1HD1 LEU 81 -3.724 0.899 -10.036 605 HD12 LEU 81 2HD1 LEU 81 -2.601 1.602 -8.872 606 HD13 LEU 81 3HD1 LEU 81 -1.993 0.901 -10.372 607 HD21 LEU 81 3HD2 LEU 81 -5.032 2.355 -10.578 608 HD22 LEU 81 1HD2 LEU 81 -4.401 2.774 -12.171 609 HD23 LEU 81 2HD2 LEU 81 -4.654 4.035 -10.963 610 H VAL 82 H VAL 82 -0.014 5.508 -8.697 611 HA VAL 82 HA VAL 82 -1.226 7.273 -6.844 612 HB VAL 82 HB VAL 82 1.730 6.859 -7.302 613 HG11 VAL 82 1HG1 VAL 82 2.063 8.196 -5.560 614 HG12 VAL 82 2HG1 VAL 82 0.344 8.595 -5.592 615 HG13 VAL 82 3HG1 VAL 82 0.925 7.273 -4.578 616 HG21 VAL 82 3HG2 VAL 82 1.682 4.926 -6.100 617 HG22 VAL 82 1HG2 VAL 82 0.267 5.412 -5.166 618 HG23 VAL 82 2HG2 VAL 82 0.075 4.832 -6.821 619 H ARG 83 H ARG 83 0.632 7.758 -9.765 620 HA ARG 83 HA ARG 83 1.135 10.542 -9.311 621 HB2 ARG 83 1HB ARG 83 2.668 9.432 -10.736 622 HB3 ARG 83 2HB ARG 83 1.379 8.751 -11.720 623 HG2 ARG 83 1HG ARG 83 1.086 10.665 -12.916 624 HG3 ARG 83 2HG ARG 83 1.606 11.705 -11.588 625 HD2 ARG 83 1HD ARG 83 3.891 11.209 -11.978 626 HD3 ARG 83 2HD ARG 83 3.487 9.887 -13.072 627 HE ARG 83 HE ARG 83 2.398 12.021 -14.301 628 HH11 ARG 83 1HH1 ARG 83 5.562 11.420 -12.979 629 HH12 ARG 83 2HH1 ARG 83 6.373 12.455 -14.107 630 HH21 ARG 83 1HH2 ARG 83 3.455 13.386 -15.792 631 HH22 ARG 83 2HH2 ARG 83 5.174 13.573 -15.706 632 H LYS 84 H LYS 84 -1.023 8.777 -11.534 633 HA LYS 84 HA LYS 84 -2.361 11.064 -12.495 634 HB2 LYS 84 1HB LYS 84 -3.866 9.577 -13.544 635 HB3 LYS 84 2HB LYS 84 -2.323 8.732 -13.516 636 HG2 LYS 84 1HG LYS 84 -3.079 7.492 -11.519 637 HG3 LYS 84 2HG LYS 84 -4.650 8.286 -11.658 638 HD2 LYS 84 1HD LYS 84 -3.428 6.673 -13.888 639 HD3 LYS 84 2HD LYS 84 -4.480 5.968 -12.659 640 HE2 LYS 84 1HE LYS 84 -5.361 8.379 -14.194 641 HE3 LYS 84 2HE LYS 84 -5.490 6.776 -14.915 642 HZ1 LYS 84 3HZ LYS 84 -6.512 6.648 -12.316 643 HZ2 LYS 84 1HZ LYS 84 -7.344 6.459 -13.778 644 HZ3 LYS 84 2HZ LYS 84 -7.211 7.990 -13.072 645 H SER 85 H SER 85 -2.898 8.991 -9.720 646 HA SER 85 HA SER 85 -5.420 9.398 -8.924 647 HB2 SER 85 1HB SER 85 -2.855 9.340 -7.414 648 HB3 SER 85 2HB SER 85 -4.297 9.851 -6.538 649 HG SER 85 HG SER 85 -3.795 7.518 -6.569 650 H GLY 86 H GLY 86 -2.840 11.820 -8.624 651 HA2 GLY 86 1HA GLY 86 -3.462 14.141 -9.132 652 HA3 GLY 86 2HA GLY 86 -4.950 13.854 -8.243 653 H ASN 87 H ASN 87 -4.778 15.331 -6.641 654 HA ASN 87 HA ASN 87 -2.308 15.709 -5.202 655 HB2 ASN 87 1HB ASN 87 -5.025 16.798 -4.462 656 HB3 ASN 87 2HB ASN 87 -3.448 17.438 -4.010 657 HD21 ASN 87 1HD2 ASN 87 -2.049 17.676 -6.191 658 HD22 ASN 87 2HD2 ASN 87 -2.830 18.664 -7.374 659 H SER 88 H SER 88 -5.551 14.478 -4.407 660 HA SER 88 HA SER 88 -4.548 13.438 -1.873 661 HB2 SER 88 1HB SER 88 -6.732 14.626 -1.946 662 HB3 SER 88 2HB SER 88 -7.358 13.357 -2.999 663 HG SER 88 HG SER 88 -7.637 12.138 -1.316 664 H VAL 89 H VAL 89 -4.033 11.372 -1.541 665 HA VAL 89 HA VAL 89 -5.037 9.325 -3.385 666 HB VAL 89 HB VAL 89 -2.133 9.543 -2.582 667 HG11 VAL 89 1HG1 VAL 89 -3.423 7.678 -4.566 668 HG12 VAL 89 2HG1 VAL 89 -1.752 7.659 -3.998 669 HG13 VAL 89 3HG1 VAL 89 -3.065 7.242 -2.895 670 HG21 VAL 89 3HG2 VAL 89 -3.586 10.796 -4.716 671 HG22 VAL 89 1HG2 VAL 89 -1.881 10.941 -4.290 672 HG23 VAL 89 2HG2 VAL 89 -2.412 9.656 -5.374 673 H THR 90 H THR 90 -5.617 7.474 -2.411 674 HA THR 90 HA THR 90 -5.217 7.289 0.482 675 HB THR 90 HB THR 90 -7.058 5.687 -1.304 676 HG1 THR 90 1HG THR 90 -8.587 7.081 0.078 677 HG21 THR 90 3HG2 THR 90 -7.251 5.930 1.680 678 HG22 THR 90 1HG2 THR 90 -6.231 4.700 0.935 679 HG23 THR 90 2HG2 THR 90 -7.966 4.718 0.616 680 H LEU 91 H LEU 91 -4.239 5.571 1.479 681 HA LEU 91 HA LEU 91 -3.235 3.372 -0.164 682 HB2 LEU 91 1HB LEU 91 -1.426 4.873 1.712 683 HB3 LEU 91 2HB LEU 91 -0.989 3.594 0.581 684 HG LEU 91 HG LEU 91 -2.063 6.215 -0.403 685 HD11 LEU 91 1HD1 LEU 91 -0.281 7.292 0.363 686 HD12 LEU 91 2HD1 LEU 91 0.712 6.273 -0.677 687 HD13 LEU 91 3HD1 LEU 91 0.418 5.802 0.997 688 HD21 LEU 91 3HD2 LEU 91 -0.986 5.621 -2.428 689 HD22 LEU 91 1HD2 LEU 91 -1.847 4.183 -1.878 690 HD23 LEU 91 2HD2 LEU 91 -0.101 4.305 -1.654 691 H LEU 92 H LEU 92 -3.570 1.493 0.819 692 HA LEU 92 HA LEU 92 -4.211 1.497 3.675 693 HB2 LEU 92 1HB LEU 92 -4.792 -0.362 1.405 694 HB3 LEU 92 2HB LEU 92 -4.889 -0.936 3.069 695 HG LEU 92 HG LEU 92 -6.446 1.451 2.109 696 HD11 LEU 92 1HD1 LEU 92 -6.774 -1.042 1.038 697 HD12 LEU 92 2HD1 LEU 92 -8.027 0.193 1.153 698 HD13 LEU 92 3HD1 LEU 92 -7.909 -1.061 2.387 699 HD21 LEU 92 3HD2 LEU 92 -7.759 1.106 4.045 700 HD22 LEU 92 1HD2 LEU 92 -6.078 0.992 4.567 701 HD23 LEU 92 2HD2 LEU 92 -7.033 -0.474 4.346 702 H VAL 93 H VAL 93 -2.494 1.195 4.940 703 HA VAL 93 HA VAL 93 -0.398 -0.676 4.084 704 HB VAL 93 HB VAL 93 0.888 0.316 6.028 705 HG11 VAL 93 1HG1 VAL 93 0.066 2.269 3.883 706 HG12 VAL 93 2HG1 VAL 93 1.587 2.245 4.777 707 HG13 VAL 93 3HG1 VAL 93 1.208 0.947 3.645 708 HG21 VAL 93 3HG2 VAL 93 -0.702 2.762 5.995 709 HG22 VAL 93 1HG2 VAL 93 -1.544 1.388 6.714 710 HG23 VAL 93 2HG2 VAL 93 0.019 1.897 7.352 711 H LEU 94 H LEU 94 -0.221 -2.612 4.999 712 HA LEU 94 HA LEU 94 -1.817 -3.172 7.399 713 HB2 LEU 94 1HB LEU 94 -2.263 -4.525 5.390 714 HB3 LEU 94 2HB LEU 94 -0.591 -5.081 5.413 715 HG LEU 94 HG LEU 94 -1.026 -6.162 7.600 716 HD11 LEU 94 1HD1 LEU 94 -3.844 -5.245 7.064 717 HD12 LEU 94 2HD1 LEU 94 -2.823 -4.832 8.441 718 HD13 LEU 94 3HD1 LEU 94 -3.412 -6.483 8.244 719 HD21 LEU 94 3HD2 LEU 94 -1.126 -7.623 5.784 720 HD22 LEU 94 1HD2 LEU 94 -2.621 -6.914 5.174 721 HD23 LEU 94 2HD2 LEU 94 -2.646 -7.904 6.634 722 H ASP 95 H ASP 95 -0.881 -4.787 8.928 723 HA ASP 95 HA ASP 95 1.708 -3.912 9.770 724 HB2 ASP 95 1HB ASP 95 -0.297 -5.890 10.809 725 HB3 ASP 95 2HB ASP 95 1.328 -5.839 11.486 726 H GLY 96 H GLY 96 3.617 -5.114 9.931 727 HA2 GLY 96 1HA GLY 96 4.260 -6.738 7.749 728 HA3 GLY 96 2HA GLY 96 5.220 -6.591 9.214 729 H ASP 97 H ASP 97 4.433 -7.898 11.102 730 HA ASP 97 HA ASP 97 4.530 -10.566 10.660 731 HB2 ASP 97 1HB ASP 97 2.892 -9.242 12.834 732 HB3 ASP 97 2HB ASP 97 3.492 -10.898 12.858 733 H SER 98 H SER 98 1.456 -8.848 11.251 734 HA SER 98 HA SER 98 -0.313 -10.873 10.786 735 HB2 SER 98 1HB SER 98 -0.600 -7.983 9.930 736 HB3 SER 98 2HB SER 98 -1.929 -9.135 10.059 737 HG SER 98 HG SER 98 -1.297 -7.630 11.932 738 H TYR 99 H TYR 99 1.030 -8.690 8.315 739 HA TYR 99 HA TYR 99 -0.245 -9.715 6.088 740 HB2 TYR 99 1HB TYR 99 1.275 -7.684 6.223 741 HB3 TYR 99 2HB TYR 99 2.631 -8.798 6.088 742 HD1 TYR 99 2HD TYR 99 2.198 -10.595 4.057 743 HD2 TYR 99 1HD TYR 99 0.711 -6.615 4.269 744 HE1 TYR 99 2HE TYR 99 2.002 -10.544 1.606 745 HE2 TYR 99 1HE TYR 99 0.510 -6.552 1.819 746 HH TYR 99 HH TYR 99 0.528 -9.201 -0.094 747 H GLU 100 H GLU 100 3.022 -10.609 7.220 748 HA GLU 100 HA GLU 100 3.509 -12.669 5.448 749 HB2 GLU 100 1HB GLU 100 4.362 -12.540 8.346 750 HB3 GLU 100 2HB GLU 100 5.103 -13.533 7.098 751 HG2 GLU 100 1HG GLU 100 5.734 -11.490 5.881 752 HG3 GLU 100 2HG GLU 100 5.052 -10.526 7.189 753 H LYS 101 H LYS 101 1.977 -12.869 8.650 754 HA LYS 101 HA LYS 101 1.577 -15.595 8.804 755 HB2 LYS 101 1HB LYS 101 1.087 -13.987 10.622 756 HB3 LYS 101 2HB LYS 101 -0.332 -13.442 9.736 757 HG2 LYS 101 1HG LYS 101 -1.464 -15.457 10.076 758 HG3 LYS 101 2HG LYS 101 0.013 -16.313 10.524 759 HD2 LYS 101 1HD LYS 101 -1.101 -14.034 12.144 760 HD3 LYS 101 2HD LYS 101 -1.567 -15.715 12.418 761 HE2 LYS 101 1HE LYS 101 1.331 -15.045 12.303 762 HE3 LYS 101 2HE LYS 101 0.423 -14.591 13.745 763 HZ1 LYS 101 3HZ LYS 101 0.213 -17.331 12.693 764 HZ2 LYS 101 1HZ LYS 101 0.002 -16.773 14.276 765 HZ3 LYS 101 2HZ LYS 101 1.557 -16.894 13.623 766 H ALA 102 H ALA 102 -0.615 -13.170 7.392 767 HA ALA 102 HA ALA 102 -2.672 -14.834 6.601 768 HB1 ALA 102 3HB ALA 102 -2.398 -12.946 4.546 769 HB2 ALA 102 1HB ALA 102 -3.431 -12.846 5.972 770 HB3 ALA 102 2HB ALA 102 -1.805 -12.164 6.011 771 H VAL 103 H VAL 103 0.069 -13.785 4.567 772 HA VAL 103 HA VAL 103 -0.358 -15.132 2.274 773 HB VAL 103 HB VAL 103 2.292 -14.993 3.718 774 HG11 VAL 103 1HG1 VAL 103 3.374 -15.546 1.736 775 HG12 VAL 103 2HG1 VAL 103 2.003 -16.656 1.764 776 HG13 VAL 103 3HG1 VAL 103 1.950 -15.213 0.751 777 HG21 VAL 103 3HG2 VAL 103 2.394 -13.131 1.756 778 HG22 VAL 103 1HG2 VAL 103 0.688 -13.055 2.196 779 HG23 VAL 103 2HG2 VAL 103 1.928 -12.790 3.422 780 H LYS 104 H LYS 104 0.974 -16.556 5.236 781 HA LYS 104 HA LYS 104 1.454 -19.127 4.220 782 HB2 LYS 104 1HB LYS 104 0.798 -18.221 7.027 783 HB3 LYS 104 2HB LYS 104 1.339 -19.844 6.618 784 HG2 LYS 104 1HG LYS 104 2.926 -17.362 6.012 785 HG3 LYS 104 2HG LYS 104 3.113 -18.313 7.487 786 HD2 LYS 104 1HD LYS 104 3.318 -19.587 4.778 787 HD3 LYS 104 2HD LYS 104 4.705 -18.782 5.518 788 HE2 LYS 104 1HE LYS 104 3.121 -20.934 6.904 789 HE3 LYS 104 2HE LYS 104 4.528 -21.276 5.898 790 HZ1 LYS 104 3HZ LYS 104 4.387 -20.027 8.532 791 HZ2 LYS 104 1HZ LYS 104 5.569 -19.446 7.470 792 HZ3 LYS 104 2HZ LYS 104 5.545 -21.083 7.896 793 H ASN 105 H ASN 105 -1.349 -17.875 6.030 794 HA ASN 105 HA ASN 105 -2.842 -20.305 5.546 795 HB2 ASN 105 1HB ASN 105 -3.839 -17.721 6.759 796 HB3 ASN 105 2HB ASN 105 -4.566 -19.318 6.905 797 HD21 ASN 105 1HD2 ASN 105 -2.306 -17.116 8.162 798 HD22 ASN 105 2HD2 ASN 105 -1.668 -18.121 9.414 799 H GLN 106 H GLN 106 -1.978 -18.416 3.340 800 HA GLN 106 HA GLN 106 -2.873 -17.290 1.533 801 HB2 GLN 106 1HB GLN 106 -4.275 -19.932 1.745 802 HB3 GLN 106 2HB GLN 106 -4.663 -18.830 0.431 803 HG2 GLN 106 1HG GLN 106 -2.293 -18.822 -0.228 804 HG3 GLN 106 2HG GLN 106 -1.956 -19.989 1.049 805 HE21 GLN 106 1HE2 GLN 106 -2.985 -22.072 0.910 806 HE22 GLN 106 2HE2 GLN 106 -3.382 -22.730 -0.637 807 H VAL 107 H VAL 107 -3.938 -16.171 3.822 808 HA VAL 107 HA VAL 107 -6.756 -16.104 3.900 809 HB VAL 107 HB VAL 107 -4.819 -13.959 4.781 810 HG11 VAL 107 1HG1 VAL 107 -7.750 -14.379 5.183 811 HG12 VAL 107 2HG1 VAL 107 -6.798 -13.570 6.429 812 HG13 VAL 107 3HG1 VAL 107 -6.871 -12.899 4.800 813 HG21 VAL 107 3HG2 VAL 107 -5.921 -16.378 6.192 814 HG22 VAL 107 1HG2 VAL 107 -4.232 -15.951 5.917 815 HG23 VAL 107 2HG2 VAL 107 -5.206 -15.010 7.046 816 H ASP 108 H ASP 108 -8.225 -14.562 3.131 817 HA ASP 108 HA ASP 108 -7.741 -13.625 0.508 818 HB2 ASP 108 1HB ASP 108 -9.962 -12.717 2.343 819 HB3 ASP 108 2HB ASP 108 -9.963 -12.729 0.581 820 H LEU 109 H LEU 109 -6.313 -12.053 0.121 821 HA LEU 109 HA LEU 109 -6.194 -9.748 1.927 822 HB2 LEU 109 1HB LEU 109 -4.340 -10.609 -0.288 823 HB3 LEU 109 2HB LEU 109 -4.105 -9.198 0.741 824 HG LEU 109 HG LEU 109 -4.170 -12.038 1.753 825 HD11 LEU 109 1HD1 LEU 109 -2.265 -11.377 0.152 826 HD12 LEU 109 2HD1 LEU 109 -1.849 -12.105 1.703 827 HD13 LEU 109 3HD1 LEU 109 -1.704 -10.361 1.481 828 HD21 LEU 109 3HD2 LEU 109 -3.195 -9.509 3.071 829 HD22 LEU 109 1HD2 LEU 109 -3.306 -11.115 3.791 830 HD23 LEU 109 2HD2 LEU 109 -4.775 -10.239 3.359 831 H LYS 110 H LYS 110 -7.322 -10.700 -1.157 832 HA LYS 110 HA LYS 110 -7.231 -8.162 -2.445 833 HB2 LYS 110 1HB LYS 110 -8.652 -10.750 -2.963 834 HB3 LYS 110 2HB LYS 110 -9.099 -9.312 -3.873 835 HG2 LYS 110 1HG LYS 110 -6.645 -9.102 -4.471 836 HG3 LYS 110 2HG LYS 110 -6.456 -10.733 -3.824 837 HD2 LYS 110 1HD LYS 110 -8.319 -11.423 -5.400 838 HD3 LYS 110 2HD LYS 110 -8.130 -9.842 -6.161 839 HE2 LYS 110 1HE LYS 110 -6.781 -11.216 -7.459 840 HE3 LYS 110 2HE LYS 110 -5.637 -10.476 -6.340 841 HZ1 LYS 110 3HZ LYS 110 -6.144 -13.195 -6.743 842 HZ2 LYS 110 1HZ LYS 110 -6.634 -12.816 -5.169 843 HZ3 LYS 110 2HZ LYS 110 -5.051 -12.485 -5.665 844 H GLU 111 H GLU 111 -9.379 -9.652 -0.179 845 HA GLU 111 HA GLU 111 -11.435 -7.620 -0.640 846 HB2 GLU 111 1HB GLU 111 -11.451 -10.052 1.156 847 HB3 GLU 111 2HB GLU 111 -12.804 -8.953 0.923 848 HG2 GLU 111 1HG GLU 111 -12.795 -9.546 -1.488 849 HG3 GLU 111 2HG GLU 111 -11.553 -10.748 -1.141 850 H LEU 112 H LEU 112 -8.831 -6.980 0.537 851 HA LEU 112 HA LEU 112 -9.416 -6.448 3.336 852 HB2 LEU 112 1HB LEU 112 -7.006 -6.042 1.594 853 HB3 LEU 112 2HB LEU 112 -7.107 -5.352 3.212 854 HG LEU 112 HG LEU 112 -7.365 -8.302 2.658 855 HD11 LEU 112 1HD1 LEU 112 -4.950 -6.596 3.072 856 HD12 LEU 112 2HD1 LEU 112 -5.197 -7.945 1.963 857 HD13 LEU 112 3HD1 LEU 112 -4.978 -8.249 3.686 858 HD21 LEU 112 3HD2 LEU 112 -8.291 -7.799 4.757 859 HD22 LEU 112 1HD2 LEU 112 -7.030 -6.622 5.126 860 HD23 LEU 112 2HD2 LEU 112 -6.648 -8.344 5.101 861 H ASP 113 H ASP 113 -10.784 -4.805 3.660 862 HA ASP 113 HA ASP 113 -10.013 -2.169 2.723 863 HB2 ASP 113 1HB ASP 113 -11.535 -3.095 0.959 864 HB3 ASP 113 2HB ASP 113 -12.800 -3.206 2.180 865 H GLN 114 H GLN 114 -9.824 -1.216 4.653 866 HA GLN 114 HA GLN 114 -11.073 -1.845 7.016 867 HB2 GLN 114 1HB GLN 114 -9.206 -0.331 6.984 868 HB3 GLN 114 2HB GLN 114 -10.106 0.839 6.029 869 HG2 GLN 114 1HG GLN 114 -9.940 1.527 8.353 870 HG3 GLN 114 2HG GLN 114 -11.615 1.229 7.890 871 HE21 GLN 114 1HE2 GLN 114 -12.673 0.401 9.535 872 HE22 GLN 114 2HE2 GLN 114 -12.098 -0.826 10.606 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -24.759 -28.005 5.575 2 HA2 GLY 1 1HA GLY 1 -26.292 -27.202 7.621 3 HA3 GLY 1 2HA GLY 1 -24.702 -26.680 8.159 4 H SER 2 H SER 2 -27.047 -25.069 7.510 5 HA SER 2 HA SER 2 -26.160 -23.647 5.104 6 HB2 SER 2 1HB SER 2 -28.317 -22.630 5.034 7 HB3 SER 2 2HB SER 2 -28.589 -24.333 5.404 8 HG SER 2 HG SER 2 -28.955 -23.801 7.528 9 H SER 3 H SER 3 -25.534 -21.522 5.131 10 HA SER 3 HA SER 3 -24.557 -20.524 7.653 11 HB2 SER 3 1HB SER 3 -24.459 -19.240 4.913 12 HB3 SER 3 2HB SER 3 -23.523 -18.754 6.327 13 HG SER 3 HG SER 3 -23.322 -21.412 5.537 14 H GLY 4 H GLY 4 -24.829 -18.053 8.019 15 HA2 GLY 4 1HA GLY 4 -27.338 -16.905 7.227 16 HA3 GLY 4 2HA GLY 4 -27.367 -17.503 8.880 17 H SER 5 H SER 5 -25.635 -15.328 6.687 18 HA SER 5 HA SER 5 -24.585 -13.340 7.033 19 HB2 SER 5 1HB SER 5 -26.470 -13.431 9.371 20 HB3 SER 5 2HB SER 5 -25.307 -12.114 9.217 21 HG SER 5 HG SER 5 -27.394 -11.713 8.236 22 H SER 6 H SER 6 -23.242 -15.707 7.798 23 HA SER 6 HA SER 6 -21.533 -14.659 9.955 24 HB2 SER 6 1HB SER 6 -21.165 -16.918 10.773 25 HB3 SER 6 2HB SER 6 -22.897 -16.587 10.742 26 HG SER 6 HG SER 6 -22.014 -18.667 9.804 27 H GLY 7 H GLY 7 -19.608 -14.152 9.163 28 HA2 GLY 7 1HA GLY 7 -18.689 -15.117 6.632 29 HA3 GLY 7 2HA GLY 7 -17.794 -14.088 7.740 30 H MET 8 H MET 8 -17.005 -16.489 6.145 31 HA MET 8 HA MET 8 -16.205 -18.287 8.327 32 HB2 MET 8 1HB MET 8 -17.382 -19.374 6.486 33 HB3 MET 8 2HB MET 8 -16.217 -18.730 5.336 34 HG2 MET 8 1HG MET 8 -14.447 -20.013 6.561 35 HG3 MET 8 2HG MET 8 -15.740 -20.782 7.478 36 HE1 MET 8 3HE MET 8 -14.413 -23.522 5.427 37 HE2 MET 8 1HE MET 8 -14.719 -22.774 6.995 38 HE3 MET 8 2HE MET 8 -15.997 -23.681 6.187 39 H ALA 9 H ALA 9 -14.939 -16.529 5.522 40 HA ALA 9 HA ALA 9 -12.207 -17.192 6.128 41 HB1 ALA 9 3HB ALA 9 -11.693 -16.288 4.120 42 HB2 ALA 9 1HB ALA 9 -13.424 -16.488 3.847 43 HB3 ALA 9 2HB ALA 9 -12.783 -14.918 4.334 44 H SER 10 H SER 10 -11.026 -16.251 7.646 45 HA SER 10 HA SER 10 -11.857 -14.122 9.235 46 HB2 SER 10 1HB SER 10 -9.978 -15.874 9.625 47 HB3 SER 10 2HB SER 10 -8.941 -14.711 8.799 48 HG SER 10 HG SER 10 -10.049 -14.615 11.318 49 H THR 11 H THR 11 -10.717 -12.014 9.501 50 HA THR 11 HA THR 11 -9.651 -10.883 7.030 51 HB THR 11 HB THR 11 -12.021 -10.434 6.809 52 HG1 THR 11 1HG THR 11 -11.033 -8.676 6.057 53 HG21 THR 11 3HG2 THR 11 -11.853 -10.023 9.655 54 HG22 THR 11 1HG2 THR 11 -13.279 -10.234 8.640 55 HG23 THR 11 2HG2 THR 11 -12.593 -8.626 8.873 56 H PHE 12 H PHE 12 -8.227 -9.224 7.344 57 HA PHE 12 HA PHE 12 -7.519 -8.664 10.129 58 HB2 PHE 12 1HB PHE 12 -5.963 -8.099 7.597 59 HB3 PHE 12 2HB PHE 12 -5.374 -7.891 9.243 60 HD1 PHE 12 2HD PHE 12 -6.719 -10.481 6.936 61 HD2 PHE 12 1HD PHE 12 -4.231 -9.612 10.278 62 HE1 PHE 12 2HE PHE 12 -5.909 -12.804 6.933 63 HE2 PHE 12 1HE PHE 12 -3.417 -11.933 10.280 64 HZ PHE 12 HZ PHE 12 -4.257 -13.533 8.607 65 H ASN 13 H ASN 13 -6.817 -6.451 10.677 66 HA ASN 13 HA ASN 13 -8.558 -4.478 9.365 67 HB2 ASN 13 1HB ASN 13 -8.373 -3.204 11.497 68 HB3 ASN 13 2HB ASN 13 -9.099 -4.796 11.704 69 HD21 ASN 13 1HD2 ASN 13 -6.981 -2.686 13.002 70 HD22 ASN 13 2HD2 ASN 13 -5.974 -3.777 13.886 71 HA PRO 14 HA PRO 14 -4.435 -3.064 8.016 72 HB2 PRO 14 1HB PRO 14 -5.368 -1.813 5.794 73 HB3 PRO 14 2HB PRO 14 -5.030 -3.547 5.850 74 HG2 PRO 14 1HG PRO 14 -7.648 -2.118 6.112 75 HG3 PRO 14 2HG PRO 14 -7.263 -3.590 5.201 76 HD2 PRO 14 1HD PRO 14 -8.472 -3.651 7.623 77 HD3 PRO 14 2HD PRO 14 -7.369 -4.929 7.075 78 H ARG 15 H ARG 15 -3.957 -0.716 7.029 79 HA ARG 15 HA ARG 15 -5.404 1.242 8.687 80 HB2 ARG 15 1HB ARG 15 -3.300 0.891 9.761 81 HB3 ARG 15 2HB ARG 15 -2.434 0.975 8.233 82 HG2 ARG 15 1HG ARG 15 -1.985 3.045 9.073 83 HG3 ARG 15 2HG ARG 15 -3.452 3.393 8.157 84 HD2 ARG 15 1HD ARG 15 -4.789 3.250 10.158 85 HD3 ARG 15 2HD ARG 15 -3.389 2.738 11.098 86 HE ARG 15 HE ARG 15 -2.798 5.207 9.937 87 HH11 ARG 15 1HH1 ARG 15 -4.956 3.856 12.312 88 HH12 ARG 15 2HH1 ARG 15 -5.061 5.316 13.238 89 HH21 ARG 15 1HH2 ARG 15 -2.928 7.136 11.148 90 HH22 ARG 15 2HH2 ARG 15 -3.908 7.182 12.574 91 H GLU 16 H GLU 16 -6.227 2.898 7.592 92 HA GLU 16 HA GLU 16 -5.519 3.225 4.787 93 HB2 GLU 16 1HB GLU 16 -7.905 3.128 5.532 94 HB3 GLU 16 2HB GLU 16 -7.657 4.648 6.379 95 HG2 GLU 16 1HG GLU 16 -7.523 5.869 4.440 96 HG3 GLU 16 2HG GLU 16 -7.023 4.482 3.474 97 H CYS 17 H CYS 17 -4.093 4.682 4.135 98 HA CYS 17 HA CYS 17 -3.454 6.928 5.923 99 HB2 CYS 17 1HB CYS 17 -1.799 5.705 3.704 100 HB3 CYS 17 2HB CYS 17 -1.300 7.044 4.730 101 HG CYS 17 HG CYS 17 0.051 5.320 6.117 102 H LYS 18 H LYS 18 -3.938 8.933 5.319 103 HA LYS 18 HA LYS 18 -4.801 9.373 2.541 104 HB2 LYS 18 1HB LYS 18 -5.586 10.654 5.144 105 HB3 LYS 18 2HB LYS 18 -5.870 11.475 3.615 106 HG2 LYS 18 1HG LYS 18 -7.384 9.846 2.889 107 HG3 LYS 18 2HG LYS 18 -6.850 8.684 4.107 108 HD2 LYS 18 1HD LYS 18 -7.786 10.107 5.868 109 HD3 LYS 18 2HD LYS 18 -8.320 11.266 4.648 110 HE2 LYS 18 1HE LYS 18 -10.204 9.934 5.219 111 HE3 LYS 18 2HE LYS 18 -9.667 9.413 3.622 112 HZ1 LYS 18 3HZ LYS 18 -8.726 7.472 4.508 113 HZ2 LYS 18 1HZ LYS 18 -10.231 7.607 5.269 114 HZ3 LYS 18 2HZ LYS 18 -8.821 8.033 6.101 115 H LEU 19 H LEU 19 -2.925 9.946 1.528 116 HA LEU 19 HA LEU 19 -1.166 11.927 2.710 117 HB2 LEU 19 1HB LEU 19 -1.089 10.193 0.282 118 HB3 LEU 19 2HB LEU 19 -0.042 11.608 0.368 119 HG LEU 19 HG LEU 19 0.720 10.578 2.634 120 HD11 LEU 19 1HD1 LEU 19 0.669 8.096 2.567 121 HD12 LEU 19 2HD1 LEU 19 -0.478 8.196 1.232 122 HD13 LEU 19 3HD1 LEU 19 -0.914 8.834 2.817 123 HD21 LEU 19 3HD2 LEU 19 1.932 8.831 0.760 124 HD22 LEU 19 1HD2 LEU 19 2.563 10.337 1.426 125 HD23 LEU 19 2HD2 LEU 19 1.608 10.361 -0.057 126 H SER 20 H SER 20 -0.737 13.965 1.851 127 HA SER 20 HA SER 20 -2.499 14.921 -0.287 128 HB2 SER 20 1HB SER 20 -2.946 16.998 1.050 129 HB3 SER 20 2HB SER 20 -3.679 15.542 1.722 130 HG SER 20 HG SER 20 -1.220 15.825 2.725 131 H LYS 21 H LYS 21 -1.499 16.207 -1.707 132 HA LYS 21 HA LYS 21 0.902 17.667 -0.919 133 HB2 LYS 21 1HB LYS 21 2.273 16.780 -2.654 134 HB3 LYS 21 2HB LYS 21 1.595 15.407 -1.790 135 HG2 LYS 21 1HG LYS 21 -0.124 15.202 -3.563 136 HG3 LYS 21 2HG LYS 21 0.693 16.492 -4.449 137 HD2 LYS 21 1HD LYS 21 2.794 14.966 -4.157 138 HD3 LYS 21 2HD LYS 21 1.596 13.696 -3.898 139 HE2 LYS 21 1HE LYS 21 0.560 14.259 -6.054 140 HE3 LYS 21 2HE LYS 21 1.788 15.498 -6.311 141 HZ1 LYS 21 3HZ LYS 21 2.340 12.597 -5.994 142 HZ2 LYS 21 1HZ LYS 21 3.481 13.801 -6.326 143 HZ3 LYS 21 2HZ LYS 21 2.296 13.420 -7.471 144 H GLN 22 H GLN 22 1.658 19.112 -2.743 145 HA GLN 22 HA GLN 22 -0.636 20.515 -3.783 146 HB2 GLN 22 1HB GLN 22 2.325 21.076 -4.007 147 HB3 GLN 22 2HB GLN 22 1.063 22.143 -4.605 148 HG2 GLN 22 1HG GLN 22 1.684 21.421 -1.760 149 HG3 GLN 22 2HG GLN 22 1.749 23.008 -2.525 150 HE21 GLN 22 1HE2 GLN 22 -0.554 23.339 -3.740 151 HE22 GLN 22 2HE2 GLN 22 -1.888 23.219 -2.649 152 H GLU 23 H GLU 23 -0.408 21.414 -6.104 153 HA GLU 23 HA GLU 23 -0.485 19.181 -7.876 154 HB2 GLU 23 1HB GLU 23 -0.801 21.009 -9.630 155 HB3 GLU 23 2HB GLU 23 -2.015 20.903 -8.362 156 HG2 GLU 23 1HG GLU 23 -1.389 22.870 -7.400 157 HG3 GLU 23 2HG GLU 23 0.281 22.736 -7.947 158 H GLY 24 H GLY 24 1.454 18.205 -8.202 159 HA2 GLY 24 1HA GLY 24 3.312 18.062 -9.697 160 HA3 GLY 24 2HA GLY 24 3.483 19.808 -9.600 161 H GLN 25 H GLN 25 2.931 18.182 -6.636 162 HA GLN 25 HA GLN 25 5.762 18.562 -5.929 163 HB2 GLN 25 1HB GLN 25 3.733 19.779 -4.739 164 HB3 GLN 25 2HB GLN 25 3.644 18.265 -3.849 165 HG2 GLN 25 1HG GLN 25 6.043 18.553 -3.253 166 HG3 GLN 25 2HG GLN 25 5.984 20.146 -4.006 167 HE21 GLN 25 1HE2 GLN 25 4.126 18.219 -1.673 168 HE22 GLN 25 2HE2 GLN 25 3.878 19.507 -0.548 169 H ASN 26 H ASN 26 6.684 17.046 -4.370 170 HA ASN 26 HA ASN 26 5.942 14.327 -5.041 171 HB2 ASN 26 1HB ASN 26 7.999 13.872 -3.494 172 HB3 ASN 26 2HB ASN 26 8.252 14.565 -5.093 173 HD21 ASN 26 1HD2 ASN 26 9.002 14.833 -1.893 174 HD22 ASN 26 2HD2 ASN 26 9.544 16.473 -1.866 175 H TYR 27 H TYR 27 6.129 12.686 -3.167 176 HA TYR 27 HA TYR 27 4.310 13.600 -1.056 177 HB2 TYR 27 1HB TYR 27 4.802 10.995 -2.406 178 HB3 TYR 27 2HB TYR 27 4.299 10.947 -0.720 179 HD1 TYR 27 2HD TYR 27 2.311 12.876 -0.340 180 HD2 TYR 27 1HD TYR 27 3.064 10.607 -3.860 181 HE1 TYR 27 2HE TYR 27 -0.032 13.174 -1.027 182 HE2 TYR 27 1HE TYR 27 0.724 10.900 -4.557 183 HH TYR 27 HH TYR 27 -1.250 13.136 -3.475 184 H GLY 28 H GLY 28 7.453 12.155 -1.599 185 HA2 GLY 28 1HA GLY 28 9.173 12.706 0.063 186 HA3 GLY 28 2HA GLY 28 7.970 12.381 1.302 187 H PHE 29 H PHE 29 6.953 10.006 -0.103 188 HA PHE 29 HA PHE 29 9.159 8.182 0.583 189 HB2 PHE 29 1HB PHE 29 7.637 6.680 1.451 190 HB3 PHE 29 2HB PHE 29 6.832 8.202 1.818 191 HD1 PHE 29 1HD PHE 29 5.035 9.017 0.229 192 HD2 PHE 29 2HD PHE 29 6.594 5.058 0.142 193 HE1 PHE 29 1HE PHE 29 3.045 8.264 -1.008 194 HE2 PHE 29 2HE PHE 29 4.608 4.298 -1.095 195 HZ PHE 29 HZ PHE 29 2.830 5.902 -1.672 196 H PHE 30 H PHE 30 9.706 6.506 -0.777 197 HA PHE 30 HA PHE 30 8.509 6.617 -3.467 198 HB2 PHE 30 1HB PHE 30 11.336 6.071 -2.577 199 HB3 PHE 30 2HB PHE 30 10.763 5.623 -4.181 200 HD1 PHE 30 1HD PHE 30 9.454 7.627 -5.402 201 HD2 PHE 30 2HD PHE 30 12.436 8.067 -2.396 202 HE1 PHE 30 1HE PHE 30 9.926 9.903 -6.208 203 HE2 PHE 30 2HE PHE 30 12.912 10.344 -3.197 204 HZ PHE 30 HZ PHE 30 11.656 11.265 -5.104 205 H LEU 31 H LEU 31 7.821 4.763 -4.418 206 HA LEU 31 HA LEU 31 7.492 2.457 -2.718 207 HB2 LEU 31 1HB LEU 31 6.562 3.193 -5.471 208 HB3 LEU 31 2HB LEU 31 6.361 1.556 -4.850 209 HG LEU 31 HG LEU 31 5.232 4.016 -3.521 210 HD11 LEU 31 1HD1 LEU 31 4.394 2.830 -5.913 211 HD12 LEU 31 2HD1 LEU 31 3.513 3.990 -4.920 212 HD13 LEU 31 3HD1 LEU 31 3.277 2.260 -4.673 213 HD21 LEU 31 3HD2 LEU 31 4.587 1.096 -3.135 214 HD22 LEU 31 1HD2 LEU 31 3.937 2.461 -2.226 215 HD23 LEU 31 2HD2 LEU 31 5.643 2.038 -2.081 216 H ARG 32 H ARG 32 9.051 1.000 -2.511 217 HA ARG 32 HA ARG 32 10.697 0.358 -4.870 218 HB2 ARG 32 1HB ARG 32 11.405 0.307 -1.935 219 HB3 ARG 32 2HB ARG 32 12.413 -0.404 -3.188 220 HG2 ARG 32 1HG ARG 32 11.591 2.448 -3.434 221 HG3 ARG 32 2HG ARG 32 12.877 2.008 -2.309 222 HD2 ARG 32 1HD ARG 32 13.820 0.694 -4.361 223 HD3 ARG 32 2HD ARG 32 12.799 1.795 -5.286 224 HE ARG 32 HE ARG 32 14.188 3.450 -3.654 225 HH11 ARG 32 1HH1 ARG 32 15.111 0.927 -5.868 226 HH12 ARG 32 2HH1 ARG 32 16.636 1.649 -6.260 227 HH21 ARG 32 1HH2 ARG 32 16.193 4.411 -4.162 228 HH22 ARG 32 2HH2 ARG 32 17.251 3.631 -5.289 229 H ILE 33 H ILE 33 11.696 -1.919 -4.642 230 HA ILE 33 HA ILE 33 9.727 -3.798 -3.532 231 HB ILE 33 HB ILE 33 9.958 -5.228 -5.523 232 HG12 ILE 33 1HG1 ILE 33 11.356 -2.867 -6.792 233 HG13 ILE 33 2HG1 ILE 33 12.191 -4.301 -6.206 234 HG21 ILE 33 1HG2 ILE 33 9.076 -2.797 -6.849 235 HG22 ILE 33 2HG2 ILE 33 8.168 -4.246 -6.420 236 HG23 ILE 33 3HG2 ILE 33 8.409 -2.970 -5.226 237 HD11 ILE 33 3HD1 ILE 33 10.801 -5.647 -7.783 238 HD12 ILE 33 1HD1 ILE 33 10.203 -4.129 -8.451 239 HD13 ILE 33 2HD1 ILE 33 11.920 -4.521 -8.551 240 H GLU 34 H GLU 34 10.559 -5.586 -2.580 241 HA GLU 34 HA GLU 34 13.492 -5.836 -2.586 242 HB2 GLU 34 1HB GLU 34 12.368 -5.302 -0.406 243 HB3 GLU 34 2HB GLU 34 11.564 -6.863 -0.499 244 HG2 GLU 34 1HG GLU 34 13.635 -8.026 -0.341 245 HG3 GLU 34 2HG GLU 34 14.551 -6.530 -0.511 246 H LYS 35 H LYS 35 14.281 -8.104 -2.158 247 HA LYS 35 HA LYS 35 13.020 -9.878 -4.074 248 HB2 LYS 35 1HB LYS 35 15.411 -9.671 -4.213 249 HB3 LYS 35 2HB LYS 35 15.596 -10.058 -2.507 250 HG2 LYS 35 1HG LYS 35 14.707 -12.323 -2.974 251 HG3 LYS 35 2HG LYS 35 14.677 -11.916 -4.691 252 HD2 LYS 35 1HD LYS 35 16.699 -13.069 -4.380 253 HD3 LYS 35 2HD LYS 35 17.156 -11.365 -4.429 254 HE2 LYS 35 1HE LYS 35 16.971 -11.433 -1.879 255 HE3 LYS 35 2HE LYS 35 16.956 -13.188 -2.049 256 HZ1 LYS 35 3HZ LYS 35 19.126 -11.290 -2.652 257 HZ2 LYS 35 1HZ LYS 35 19.073 -12.790 -3.434 258 HZ3 LYS 35 2HZ LYS 35 19.178 -12.719 -1.747 259 H ASP 36 H ASP 36 12.037 -11.794 -3.638 260 HA ASP 36 HA ASP 36 10.877 -13.357 -2.460 261 HB2 ASP 36 1HB ASP 36 13.243 -12.941 -0.636 262 HB3 ASP 36 2HB ASP 36 11.993 -14.135 -0.297 263 H THR 37 H THR 37 9.792 -10.881 -2.271 264 HA THR 37 HA THR 37 8.734 -10.883 0.471 265 HB THR 37 HB THR 37 10.391 -9.000 0.116 266 HG1 THR 37 1HG THR 37 9.219 -8.111 1.627 267 HG21 THR 37 3HG2 THR 37 8.642 -7.167 -1.141 268 HG22 THR 37 1HG2 THR 37 8.747 -8.583 -2.185 269 HG23 THR 37 2HG2 THR 37 10.215 -7.730 -1.705 270 H ASP 38 H ASP 38 6.710 -9.378 0.530 271 HA ASP 38 HA ASP 38 5.129 -9.834 -1.914 272 HB2 ASP 38 1HB ASP 38 4.668 -11.332 0.173 273 HB3 ASP 38 2HB ASP 38 3.875 -9.895 0.811 274 H GLY 39 H GLY 39 3.896 -8.173 -2.629 275 HA2 GLY 39 1HA GLY 39 2.899 -6.095 -2.705 276 HA3 GLY 39 2HA GLY 39 3.082 -5.999 -0.960 277 H HIS 40 H HIS 40 3.458 -3.686 -1.913 278 HA HIS 40 HA HIS 40 6.211 -3.288 -2.779 279 HB2 HIS 40 1HB HIS 40 3.783 -1.540 -2.596 280 HB3 HIS 40 2HB HIS 40 5.380 -0.805 -2.699 281 HD1 HIS 40 1HD HIS 40 6.540 -0.829 -4.957 282 HD2 HIS 40 2HD HIS 40 2.989 -2.987 -4.918 283 HE1 HIS 40 1HE HIS 40 6.052 -1.365 -7.365 284 HE2 HIS 40 2HE HIS 40 3.855 -2.597 -7.323 285 H LEU 41 H LEU 41 7.684 -1.930 -1.666 286 HA LEU 41 HA LEU 41 7.112 -1.657 1.212 287 HB2 LEU 41 1HB LEU 41 9.795 -2.138 -0.072 288 HB3 LEU 41 2HB LEU 41 9.456 -2.048 1.655 289 HG LEU 41 HG LEU 41 8.338 -4.182 -0.156 290 HD11 LEU 41 1HD1 LEU 41 11.005 -3.860 0.839 291 HD12 LEU 41 2HD1 LEU 41 10.335 -5.144 -0.166 292 HD13 LEU 41 3HD1 LEU 41 10.248 -5.264 1.591 293 HD21 LEU 41 3HD2 LEU 41 8.561 -4.000 2.846 294 HD22 LEU 41 1HD2 LEU 41 7.867 -5.337 1.928 295 HD23 LEU 41 2HD2 LEU 41 7.086 -3.756 1.910 296 H ILE 42 H ILE 42 7.274 0.319 2.057 297 HA ILE 42 HA ILE 42 7.970 2.537 0.355 298 HB ILE 42 HB ILE 42 7.087 2.422 3.238 299 HG12 ILE 42 1HG1 ILE 42 5.131 3.729 1.997 300 HG13 ILE 42 2HG1 ILE 42 5.741 2.834 0.609 301 HG21 ILE 42 1HG2 ILE 42 8.418 4.528 1.866 302 HG22 ILE 42 2HG2 ILE 42 6.747 5.010 2.148 303 HG23 ILE 42 3HG2 ILE 42 7.762 4.518 3.502 304 HD11 ILE 42 3HD1 ILE 42 5.367 1.181 2.977 305 HD12 ILE 42 1HD1 ILE 42 3.884 1.939 2.398 306 HD13 ILE 42 2HD1 ILE 42 4.838 0.926 1.314 307 H ARG 43 H ARG 43 9.801 3.704 0.351 308 HA ARG 43 HA ARG 43 11.682 3.504 2.561 309 HB2 ARG 43 1HB ARG 43 12.431 2.747 -0.269 310 HB3 ARG 43 2HB ARG 43 13.566 2.947 1.059 311 HG2 ARG 43 1HG ARG 43 12.092 1.149 2.230 312 HG3 ARG 43 2HG ARG 43 11.571 0.784 0.584 313 HD2 ARG 43 1HD ARG 43 14.018 0.616 -0.018 314 HD3 ARG 43 2HD ARG 43 14.359 0.681 1.710 315 HE ARG 43 HE ARG 43 12.470 -1.357 0.948 316 HH11 ARG 43 1HH1 ARG 43 15.828 -0.565 1.417 317 HH12 ARG 43 2HH1 ARG 43 16.317 -2.210 1.658 318 HH21 ARG 43 1HH2 ARG 43 13.102 -3.526 1.264 319 HH22 ARG 43 2HH2 ARG 43 14.766 -3.893 1.570 320 H VAL 44 H VAL 44 13.434 5.082 2.400 321 HA VAL 44 HA VAL 44 14.272 7.164 2.002 322 HB VAL 44 HB VAL 44 12.673 7.132 -0.559 323 HG11 VAL 44 1HG1 VAL 44 14.656 8.945 0.630 324 HG12 VAL 44 2HG1 VAL 44 14.941 8.528 -1.061 325 HG13 VAL 44 3HG1 VAL 44 13.409 9.258 -0.577 326 HG21 VAL 44 3HG2 VAL 44 13.951 5.307 -0.975 327 HG22 VAL 44 1HG2 VAL 44 15.158 6.534 -1.359 328 HG23 VAL 44 2HG2 VAL 44 15.169 5.750 0.221 329 H ILE 45 H ILE 45 12.021 6.933 3.619 330 HA ILE 45 HA ILE 45 9.968 8.767 2.921 331 HB ILE 45 HB ILE 45 10.804 7.724 5.629 332 HG12 ILE 45 1HG1 ILE 45 8.541 6.909 3.793 333 HG13 ILE 45 2HG1 ILE 45 10.031 6.003 4.032 334 HG21 ILE 45 1HG2 ILE 45 9.126 9.889 5.033 335 HG22 ILE 45 2HG2 ILE 45 8.062 8.550 5.462 336 HG23 ILE 45 3HG2 ILE 45 9.319 9.071 6.583 337 HD11 ILE 45 3HD1 ILE 45 9.211 6.194 6.573 338 HD12 ILE 45 1HD1 ILE 45 7.652 6.232 5.750 339 HD13 ILE 45 2HD1 ILE 45 8.751 4.876 5.496 340 H GLU 46 H GLU 46 11.268 10.575 2.191 341 HA GLU 46 HA GLU 46 13.138 12.037 3.464 342 HB2 GLU 46 1HB GLU 46 11.856 12.537 1.275 343 HB3 GLU 46 2HB GLU 46 10.753 13.447 2.297 344 HG2 GLU 46 1HG GLU 46 12.300 14.993 1.417 345 HG3 GLU 46 2HG GLU 46 12.732 14.752 3.109 346 H GLU 47 H GLU 47 13.256 13.630 5.039 347 HA GLU 47 HA GLU 47 11.429 13.347 7.214 348 HB2 GLU 47 1HB GLU 47 13.964 13.873 7.274 349 HB3 GLU 47 2HB GLU 47 13.473 15.538 7.000 350 HG2 GLU 47 1HG GLU 47 12.168 14.042 9.204 351 HG3 GLU 47 2HG GLU 47 13.834 14.572 9.423 352 H GLY 48 H GLY 48 9.971 14.826 8.054 353 HA2 GLY 48 1HA GLY 48 8.411 16.510 8.012 354 HA3 GLY 48 2HA GLY 48 9.589 17.450 7.109 355 H SER 49 H SER 49 8.191 14.382 6.088 356 HA SER 49 HA SER 49 7.015 15.786 3.786 357 HB2 SER 49 1HB SER 49 7.486 13.960 2.459 358 HB3 SER 49 2HB SER 49 8.806 13.839 3.622 359 HG SER 49 HG SER 49 7.984 12.046 4.348 360 HA PRO 50 HA PRO 50 2.928 14.720 4.975 361 HB2 PRO 50 1HB PRO 50 1.758 14.307 2.560 362 HB3 PRO 50 2HB PRO 50 2.210 15.912 3.147 363 HG2 PRO 50 1HG PRO 50 3.659 14.114 1.242 364 HG3 PRO 50 2HG PRO 50 3.392 15.864 1.144 365 HD2 PRO 50 1HD PRO 50 5.732 14.793 1.987 366 HD3 PRO 50 2HD PRO 50 5.109 16.335 2.608 367 H ALA 51 H ALA 51 4.985 12.482 3.516 368 HA ALA 51 HA ALA 51 3.079 10.312 3.359 369 HB1 ALA 51 3HB ALA 51 4.874 10.385 1.742 370 HB2 ALA 51 1HB ALA 51 6.076 10.345 3.032 371 HB3 ALA 51 2HB ALA 51 5.039 8.946 2.748 372 H GLU 52 H GLU 52 5.599 11.431 5.541 373 HA GLU 52 HA GLU 52 5.472 9.093 7.214 374 HB2 GLU 52 1HB GLU 52 7.551 10.370 7.016 375 HB3 GLU 52 2HB GLU 52 6.757 11.789 7.684 376 HG2 GLU 52 1HG GLU 52 6.778 9.272 9.270 377 HG3 GLU 52 2HG GLU 52 8.246 10.244 9.179 378 H LYS 53 H LYS 53 4.401 12.470 7.483 379 HA LYS 53 HA LYS 53 3.300 12.389 10.022 380 HB2 LYS 53 1HB LYS 53 2.794 14.006 7.575 381 HB3 LYS 53 2HB LYS 53 1.602 14.093 8.865 382 HG2 LYS 53 1HG LYS 53 3.481 14.662 10.428 383 HG3 LYS 53 2HG LYS 53 4.520 14.803 9.008 384 HD2 LYS 53 1HD LYS 53 1.941 16.326 9.250 385 HD3 LYS 53 2HD LYS 53 3.456 16.947 9.909 386 HE2 LYS 53 1HE LYS 53 4.476 16.831 7.698 387 HE3 LYS 53 2HE LYS 53 2.985 16.165 7.032 388 HZ1 LYS 53 3HZ LYS 53 3.505 18.704 6.871 389 HZ2 LYS 53 1HZ LYS 53 2.868 18.735 8.439 390 HZ3 LYS 53 2HZ LYS 53 1.926 18.167 7.154 391 H ALA 54 H ALA 54 2.307 10.714 7.246 392 HA ALA 54 HA ALA 54 -0.452 10.406 8.131 393 HB1 ALA 54 3HB ALA 54 0.548 8.790 5.874 394 HB2 ALA 54 1HB ALA 54 -0.940 9.722 6.035 395 HB3 ALA 54 2HB ALA 54 0.575 10.540 5.654 396 H GLY 55 H GLY 55 2.132 9.260 9.428 397 HA2 GLY 55 1HA GLY 55 2.350 7.451 10.878 398 HA3 GLY 55 2HA GLY 55 0.904 6.745 10.171 399 H LEU 56 H LEU 56 2.129 7.155 7.437 400 HA LEU 56 HA LEU 56 3.099 4.583 7.033 401 HB2 LEU 56 1HB LEU 56 2.311 6.489 5.387 402 HB3 LEU 56 2HB LEU 56 4.044 6.788 5.271 403 HG LEU 56 HG LEU 56 4.129 4.214 4.746 404 HD11 LEU 56 1HD1 LEU 56 1.634 4.039 5.199 405 HD12 LEU 56 2HD1 LEU 56 2.229 3.309 3.708 406 HD13 LEU 56 3HD1 LEU 56 1.408 4.869 3.659 407 HD21 LEU 56 3HD2 LEU 56 4.966 5.461 3.048 408 HD22 LEU 56 1HD2 LEU 56 3.592 6.568 3.035 409 HD23 LEU 56 2HD2 LEU 56 3.452 4.980 2.280 410 H LEU 57 H LEU 57 4.946 3.640 7.567 411 HA LEU 57 HA LEU 57 7.365 5.299 7.808 412 HB2 LEU 57 1HB LEU 57 6.373 3.143 9.653 413 HB3 LEU 57 2HB LEU 57 8.050 3.684 9.641 414 HG LEU 57 HG LEU 57 5.916 5.724 10.017 415 HD11 LEU 57 1HD1 LEU 57 6.745 3.689 12.067 416 HD12 LEU 57 2HD1 LEU 57 5.116 4.122 11.552 417 HD13 LEU 57 3HD1 LEU 57 6.074 5.262 12.497 418 HD21 LEU 57 3HD2 LEU 57 7.965 6.739 10.018 419 HD22 LEU 57 1HD2 LEU 57 8.785 5.335 10.701 420 HD23 LEU 57 2HD2 LEU 57 7.805 6.373 11.736 421 H ASP 58 H ASP 58 9.361 3.744 7.978 422 HA ASP 58 HA ASP 58 9.409 2.253 5.534 423 HB2 ASP 58 1HB ASP 58 11.785 1.682 6.395 424 HB3 ASP 58 2HB ASP 58 11.421 3.355 5.979 425 H GLY 59 H GLY 59 8.977 0.168 5.247 426 HA2 GLY 59 1HA GLY 59 9.402 -2.138 5.920 427 HA3 GLY 59 2HA GLY 59 9.157 -1.628 7.584 428 H ASP 60 H ASP 60 6.992 -0.202 5.394 429 HA ASP 60 HA ASP 60 4.870 -2.010 6.322 430 HB2 ASP 60 1HB ASP 60 4.885 0.872 5.469 431 HB3 ASP 60 2HB ASP 60 3.388 -0.057 5.474 432 H ARG 61 H ARG 61 3.215 -2.674 4.854 433 HA ARG 61 HA ARG 61 4.102 -2.708 2.044 434 HB2 ARG 61 1HB ARG 61 2.945 -4.846 3.786 435 HB3 ARG 61 2HB ARG 61 2.627 -4.887 2.057 436 HG2 ARG 61 1HG ARG 61 4.501 -6.164 2.118 437 HG3 ARG 61 2HG ARG 61 5.250 -4.577 1.935 438 HD2 ARG 61 1HD ARG 61 5.751 -4.450 4.250 439 HD3 ARG 61 2HD ARG 61 4.735 -5.844 4.614 440 HE ARG 61 HE ARG 61 7.452 -5.900 3.833 441 HH11 ARG 61 1HH1 ARG 61 4.441 -7.591 3.395 442 HH12 ARG 61 2HH1 ARG 61 5.195 -9.119 3.081 443 HH21 ARG 61 1HH2 ARG 61 8.457 -7.906 3.422 444 HH22 ARG 61 2HH2 ARG 61 7.479 -9.297 3.098 445 H VAL 62 H VAL 62 2.710 -2.016 0.534 446 HA VAL 62 HA VAL 62 0.074 -1.114 1.427 447 HB VAL 62 HB VAL 62 1.259 0.613 0.325 448 HG11 VAL 62 1HG1 VAL 62 1.801 -0.088 -2.261 449 HG12 VAL 62 2HG1 VAL 62 2.979 -0.052 -0.947 450 HG13 VAL 62 3HG1 VAL 62 2.190 -1.568 -1.384 451 HG21 VAL 62 3HG2 VAL 62 -1.075 0.503 -0.307 452 HG22 VAL 62 1HG2 VAL 62 -0.112 1.045 -1.682 453 HG23 VAL 62 2HG2 VAL 62 -0.697 -0.618 -1.615 454 H LEU 63 H LEU 63 -1.695 -2.234 0.966 455 HA LEU 63 HA LEU 63 -1.559 -4.509 -0.809 456 HB2 LEU 63 1HB LEU 63 -3.870 -3.394 0.774 457 HB3 LEU 63 2HB LEU 63 -3.856 -4.939 -0.074 458 HG LEU 63 HG LEU 63 -1.852 -4.396 2.080 459 HD11 LEU 63 1HD1 LEU 63 -3.391 -5.328 3.726 460 HD12 LEU 63 2HD1 LEU 63 -4.674 -5.363 2.517 461 HD13 LEU 63 3HD1 LEU 63 -4.013 -3.820 3.055 462 HD21 LEU 63 3HD2 LEU 63 -1.293 -6.415 1.245 463 HD22 LEU 63 1HD2 LEU 63 -2.897 -6.700 0.570 464 HD23 LEU 63 2HD2 LEU 63 -2.602 -6.975 2.287 465 H ARG 64 H ARG 64 -3.662 -1.634 -0.585 466 HA ARG 64 HA ARG 64 -4.007 -1.790 -3.508 467 HB2 ARG 64 1HB ARG 64 -6.066 -0.704 -1.589 468 HB3 ARG 64 2HB ARG 64 -6.268 -1.055 -3.300 469 HG2 ARG 64 1HG ARG 64 -5.919 -3.462 -2.785 470 HG3 ARG 64 2HG ARG 64 -5.904 -3.042 -1.071 471 HD2 ARG 64 1HD ARG 64 -8.141 -2.586 -1.021 472 HD3 ARG 64 2HD ARG 64 -8.187 -2.091 -2.713 473 HE ARG 64 HE ARG 64 -7.700 -4.905 -2.289 474 HH11 ARG 64 1HH1 ARG 64 -10.087 -2.415 -2.765 475 HH12 ARG 64 2HH1 ARG 64 -11.297 -3.507 -3.352 476 HH21 ARG 64 1HH2 ARG 64 -9.285 -6.351 -3.061 477 HH22 ARG 64 2HH2 ARG 64 -10.841 -5.745 -3.519 478 H ILE 65 H ILE 65 -3.706 0.046 -4.659 479 HA ILE 65 HA ILE 65 -2.856 2.420 -3.150 480 HB ILE 65 HB ILE 65 -1.365 1.212 -4.930 481 HG12 ILE 65 1HG1 ILE 65 -0.632 3.213 -3.839 482 HG13 ILE 65 2HG1 ILE 65 -0.395 3.450 -5.567 483 HG21 ILE 65 1HG2 ILE 65 -1.644 1.863 -7.175 484 HG22 ILE 65 2HG2 ILE 65 -3.243 1.357 -6.632 485 HG23 ILE 65 3HG2 ILE 65 -2.857 3.074 -6.757 486 HD11 ILE 65 3HD1 ILE 65 -2.352 4.728 -3.728 487 HD12 ILE 65 1HD1 ILE 65 -1.308 5.454 -4.948 488 HD13 ILE 65 2HD1 ILE 65 -2.749 4.563 -5.438 489 H ASN 66 H ASN 66 -4.134 4.140 -3.120 490 HA ASN 66 HA ASN 66 -5.938 5.482 -3.524 491 HB2 ASN 66 1HB ASN 66 -4.200 5.923 -5.430 492 HB3 ASN 66 2HB ASN 66 -5.402 5.146 -6.456 493 HD21 ASN 66 1HD2 ASN 66 -4.503 7.975 -4.781 494 HD22 ASN 66 2HD2 ASN 66 -5.873 8.939 -5.204 495 H GLY 67 H GLY 67 -6.452 2.581 -3.470 496 HA2 GLY 67 1HA GLY 67 -8.507 1.463 -3.533 497 HA3 GLY 67 2HA GLY 67 -9.116 2.689 -4.635 498 H VAL 68 H VAL 68 -6.177 0.744 -4.957 499 HA VAL 68 HA VAL 68 -7.405 -0.834 -7.079 500 HB VAL 68 HB VAL 68 -4.961 0.881 -7.539 501 HG11 VAL 68 1HG1 VAL 68 -5.671 -1.618 -8.679 502 HG12 VAL 68 2HG1 VAL 68 -5.889 -0.373 -9.911 503 HG13 VAL 68 3HG1 VAL 68 -4.330 -0.556 -9.107 504 HG21 VAL 68 3HG2 VAL 68 -7.539 0.913 -9.083 505 HG22 VAL 68 1HG2 VAL 68 -7.275 1.935 -7.670 506 HG23 VAL 68 2HG2 VAL 68 -6.240 2.106 -9.088 507 H PHE 69 H PHE 69 -6.862 -2.878 -6.752 508 HA PHE 69 HA PHE 69 -4.968 -3.730 -4.876 509 HB2 PHE 69 1HB PHE 69 -6.978 -4.994 -5.948 510 HB3 PHE 69 2HB PHE 69 -5.808 -5.468 -7.175 511 HD1 PHE 69 2HD PHE 69 -6.195 -5.393 -3.468 512 HD2 PHE 69 1HD PHE 69 -4.622 -7.412 -6.869 513 HE1 PHE 69 2HE PHE 69 -5.427 -7.227 -2.019 514 HE2 PHE 69 1HE PHE 69 -3.852 -9.250 -5.425 515 HZ PHE 69 HZ PHE 69 -4.253 -9.158 -2.997 516 H VAL 70 H VAL 70 -2.834 -3.622 -4.975 517 HA VAL 70 HA VAL 70 -1.510 -4.106 -7.559 518 HB VAL 70 HB VAL 70 0.201 -2.427 -6.983 519 HG11 VAL 70 1HG1 VAL 70 -1.152 -1.348 -8.417 520 HG12 VAL 70 2HG1 VAL 70 -2.614 -1.808 -7.542 521 HG13 VAL 70 3HG1 VAL 70 -1.648 -0.439 -6.989 522 HG21 VAL 70 3HG2 VAL 70 -0.885 -0.741 -5.158 523 HG22 VAL 70 1HG2 VAL 70 -1.374 -2.305 -4.506 524 HG23 VAL 70 2HG2 VAL 70 0.333 -1.960 -4.785 525 H ASP 71 H ASP 71 -1.898 -6.118 -5.754 526 HA ASP 71 HA ASP 71 0.377 -6.379 -4.006 527 HB2 ASP 71 1HB ASP 71 -1.384 -7.540 -3.101 528 HB3 ASP 71 2HB ASP 71 -2.014 -8.023 -4.674 529 H LYS 72 H LYS 72 -0.590 -7.565 -7.171 530 HA LYS 72 HA LYS 72 1.999 -8.940 -7.423 531 HB2 LYS 72 1HB LYS 72 0.131 -10.418 -7.815 532 HB3 LYS 72 2HB LYS 72 -0.584 -9.285 -8.954 533 HG2 LYS 72 1HG LYS 72 0.372 -10.892 -10.319 534 HG3 LYS 72 2HG LYS 72 1.577 -9.603 -10.308 535 HD2 LYS 72 1HD LYS 72 2.873 -11.489 -9.959 536 HD3 LYS 72 2HD LYS 72 2.589 -10.924 -8.311 537 HE2 LYS 72 1HE LYS 72 0.870 -12.553 -7.979 538 HE3 LYS 72 2HE LYS 72 0.903 -13.012 -9.681 539 HZ1 LYS 72 3HZ LYS 72 3.020 -13.482 -7.657 540 HZ2 LYS 72 1HZ LYS 72 3.236 -13.744 -9.315 541 HZ3 LYS 72 2HZ LYS 72 2.089 -14.646 -8.458 542 H GLU 73 H GLU 73 0.038 -6.365 -8.650 543 HA GLU 73 HA GLU 73 1.009 -5.900 -11.165 544 HB2 GLU 73 1HB GLU 73 0.428 -3.859 -9.013 545 HB3 GLU 73 2HB GLU 73 0.628 -3.481 -10.718 546 HG2 GLU 73 1HG GLU 73 -1.435 -5.438 -9.775 547 HG3 GLU 73 2HG GLU 73 -1.744 -3.703 -9.808 548 H GLU 74 H GLU 74 2.557 -4.121 -11.835 549 HA GLU 74 HA GLU 74 5.068 -4.471 -10.347 550 HB2 GLU 74 1HB GLU 74 4.687 -5.103 -12.891 551 HB3 GLU 74 2HB GLU 74 5.010 -3.391 -13.128 552 HG2 GLU 74 1HG GLU 74 7.080 -3.939 -11.580 553 HG3 GLU 74 2HG GLU 74 6.817 -5.559 -12.222 554 H HIS 75 H HIS 75 6.483 -2.681 -10.075 555 HA HIS 75 HA HIS 75 5.404 -0.384 -9.068 556 HB2 HIS 75 1HB HIS 75 7.722 -0.938 -8.684 557 HB3 HIS 75 2HB HIS 75 8.095 -0.755 -10.395 558 HD1 HIS 75 1HD HIS 75 6.448 1.547 -7.838 559 HD2 HIS 75 2HD HIS 75 9.444 1.553 -10.716 560 HE1 HIS 75 1HE HIS 75 7.384 3.881 -7.830 561 HE2 HIS 75 2HE HIS 75 9.137 3.884 -9.638 562 H ALA 76 H ALA 76 6.671 -0.811 -12.368 563 HA ALA 76 HA ALA 76 6.234 1.723 -13.361 564 HB1 ALA 76 3HB ALA 76 6.310 0.784 -15.535 565 HB2 ALA 76 1HB ALA 76 7.355 -0.212 -14.522 566 HB3 ALA 76 2HB ALA 76 5.742 -0.782 -14.954 567 H GLN 77 H GLN 77 3.917 -0.775 -12.654 568 HA GLN 77 HA GLN 77 1.776 0.621 -14.047 569 HB2 GLN 77 1HB GLN 77 1.936 -1.990 -12.559 570 HB3 GLN 77 2HB GLN 77 0.394 -1.303 -13.054 571 HG2 GLN 77 1HG GLN 77 2.664 -1.972 -14.913 572 HG3 GLN 77 2HG GLN 77 1.248 -2.983 -14.629 573 HE21 GLN 77 1HE2 GLN 77 2.444 -0.056 -16.066 574 HE22 GLN 77 2HE2 GLN 77 1.056 0.275 -17.039 575 H VAL 78 H VAL 78 2.857 -0.067 -10.770 576 HA VAL 78 HA VAL 78 0.575 0.951 -9.436 577 HB VAL 78 HB VAL 78 3.424 0.657 -8.477 578 HG11 VAL 78 1HG1 VAL 78 1.725 0.585 -6.283 579 HG12 VAL 78 2HG1 VAL 78 2.817 1.897 -6.729 580 HG13 VAL 78 3HG1 VAL 78 1.133 1.933 -7.253 581 HG21 VAL 78 3HG2 VAL 78 2.415 -1.299 -7.247 582 HG22 VAL 78 1HG2 VAL 78 0.978 -1.082 -8.246 583 HG23 VAL 78 2HG2 VAL 78 2.523 -1.477 -8.998 584 H VAL 79 H VAL 79 3.397 2.439 -10.819 585 HA VAL 79 HA VAL 79 3.210 4.919 -9.430 586 HB VAL 79 HB VAL 79 5.302 4.246 -10.474 587 HG11 VAL 79 1HG1 VAL 79 5.517 4.350 -12.958 588 HG12 VAL 79 2HG1 VAL 79 4.521 3.017 -12.373 589 HG13 VAL 79 3HG1 VAL 79 3.760 4.455 -13.054 590 HG21 VAL 79 3HG2 VAL 79 4.152 6.767 -10.589 591 HG22 VAL 79 1HG2 VAL 79 5.864 6.383 -10.764 592 HG23 VAL 79 2HG2 VAL 79 4.844 6.532 -12.194 593 H GLU 80 H GLU 80 1.617 3.562 -12.185 594 HA GLU 80 HA GLU 80 0.777 6.012 -13.371 595 HB2 GLU 80 1HB GLU 80 0.880 3.840 -14.583 596 HB3 GLU 80 2HB GLU 80 -0.477 3.274 -13.620 597 HG2 GLU 80 1HG GLU 80 -1.974 4.722 -14.646 598 HG3 GLU 80 2HG GLU 80 -0.693 5.771 -15.251 599 H LEU 81 H LEU 81 -0.271 4.198 -10.663 600 HA LEU 81 HA LEU 81 -2.951 5.305 -10.648 601 HB2 LEU 81 1HB LEU 81 -1.453 3.557 -8.709 602 HB3 LEU 81 2HB LEU 81 -3.100 4.123 -8.440 603 HG LEU 81 HG LEU 81 -3.226 1.883 -9.228 604 HD11 LEU 81 1HD1 LEU 81 -4.624 3.854 -10.325 605 HD12 LEU 81 2HD1 LEU 81 -4.803 2.176 -10.835 606 HD13 LEU 81 3HD1 LEU 81 -3.802 3.282 -11.776 607 HD21 LEU 81 3HD2 LEU 81 -0.863 2.397 -10.511 608 HD22 LEU 81 1HD2 LEU 81 -2.006 2.287 -11.850 609 HD23 LEU 81 2HD2 LEU 81 -1.845 0.945 -10.717 610 H VAL 82 H VAL 82 0.040 5.619 -8.768 611 HA VAL 82 HA VAL 82 -0.973 7.531 -6.936 612 HB VAL 82 HB VAL 82 1.912 7.151 -7.744 613 HG11 VAL 82 1HG1 VAL 82 0.734 9.012 -6.060 614 HG12 VAL 82 2HG1 VAL 82 1.354 7.770 -4.970 615 HG13 VAL 82 3HG1 VAL 82 2.440 8.568 -6.108 616 HG21 VAL 82 3HG2 VAL 82 0.100 5.362 -6.379 617 HG22 VAL 82 1HG2 VAL 82 1.754 5.088 -6.925 618 HG23 VAL 82 2HG2 VAL 82 1.456 5.813 -5.345 619 H ARG 83 H ARG 83 0.463 7.757 -10.114 620 HA ARG 83 HA ARG 83 0.921 10.587 -9.995 621 HB2 ARG 83 1HB ARG 83 1.619 10.421 -12.252 622 HB3 ARG 83 2HB ARG 83 2.160 8.941 -11.473 623 HG2 ARG 83 1HG ARG 83 0.283 7.728 -12.426 624 HG3 ARG 83 2HG ARG 83 -0.311 9.213 -13.171 625 HD2 ARG 83 1HD ARG 83 2.348 7.907 -13.738 626 HD3 ARG 83 2HD ARG 83 0.918 7.799 -14.763 627 HE ARG 83 HE ARG 83 1.294 9.960 -15.486 628 HH11 ARG 83 1HH1 ARG 83 3.436 9.176 -12.856 629 HH12 ARG 83 2HH1 ARG 83 4.437 10.572 -13.083 630 HH21 ARG 83 1HH2 ARG 83 2.604 11.802 -15.795 631 HH22 ARG 83 2HH2 ARG 83 3.962 12.065 -14.754 632 H LYS 84 H LYS 84 -1.629 8.477 -11.179 633 HA LYS 84 HA LYS 84 -3.107 10.619 -12.412 634 HB2 LYS 84 1HB LYS 84 -4.627 8.996 -13.102 635 HB3 LYS 84 2HB LYS 84 -3.112 8.105 -13.037 636 HG2 LYS 84 1HG LYS 84 -3.720 7.152 -10.903 637 HG3 LYS 84 2HG LYS 84 -5.198 8.116 -10.865 638 HD2 LYS 84 1HD LYS 84 -4.727 6.355 -13.216 639 HD3 LYS 84 2HD LYS 84 -5.196 5.601 -11.690 640 HE2 LYS 84 1HE LYS 84 -7.247 5.986 -12.666 641 HE3 LYS 84 2HE LYS 84 -7.050 7.432 -11.677 642 HZ1 LYS 84 3HZ LYS 84 -7.629 7.425 -14.310 643 HZ2 LYS 84 1HZ LYS 84 -5.956 7.674 -14.330 644 HZ3 LYS 84 2HZ LYS 84 -6.958 8.733 -13.472 645 H SER 85 H SER 85 -2.876 9.222 -9.278 646 HA SER 85 HA SER 85 -5.263 9.472 -8.070 647 HB2 SER 85 1HB SER 85 -4.126 10.045 -6.011 648 HB3 SER 85 2HB SER 85 -3.105 8.934 -6.924 649 HG SER 85 HG SER 85 -2.552 11.416 -6.082 650 H GLY 86 H GLY 86 -3.028 12.242 -8.395 651 HA2 GLY 86 1HA GLY 86 -4.061 14.299 -9.367 652 HA3 GLY 86 2HA GLY 86 -5.397 14.006 -8.263 653 H ASN 87 H ASN 87 -5.089 14.343 -6.019 654 HA ASN 87 HA ASN 87 -2.742 16.010 -5.386 655 HB2 ASN 87 1HB ASN 87 -5.544 16.271 -4.271 656 HB3 ASN 87 2HB ASN 87 -4.166 17.283 -3.847 657 HD21 ASN 87 1HD2 ASN 87 -3.049 18.197 -5.907 658 HD22 ASN 87 2HD2 ASN 87 -4.124 18.932 -7.043 659 H SER 88 H SER 88 -5.176 13.806 -4.041 660 HA SER 88 HA SER 88 -3.232 13.078 -1.947 661 HB2 SER 88 1HB SER 88 -6.256 13.020 -1.792 662 HB3 SER 88 2HB SER 88 -5.158 12.487 -0.519 663 HG SER 88 HG SER 88 -6.086 14.882 -0.831 664 H VAL 89 H VAL 89 -3.256 10.854 -1.246 665 HA VAL 89 HA VAL 89 -4.461 8.963 -3.140 666 HB VAL 89 HB VAL 89 -1.588 8.777 -2.227 667 HG11 VAL 89 1HG1 VAL 89 -3.149 6.721 -2.878 668 HG12 VAL 89 2HG1 VAL 89 -2.663 7.212 -4.502 669 HG13 VAL 89 3HG1 VAL 89 -1.440 6.783 -3.306 670 HG21 VAL 89 3HG2 VAL 89 -2.707 10.366 -4.285 671 HG22 VAL 89 1HG2 VAL 89 -1.004 10.087 -3.922 672 HG23 VAL 89 2HG2 VAL 89 -1.850 9.030 -5.053 673 H THR 90 H THR 90 -5.505 7.390 -2.122 674 HA THR 90 HA THR 90 -5.138 7.060 0.747 675 HB THR 90 HB THR 90 -7.153 5.674 -1.026 676 HG1 THR 90 1HG THR 90 -8.560 7.382 -0.130 677 HG21 THR 90 3HG2 THR 90 -7.267 6.254 1.930 678 HG22 THR 90 1HG2 THR 90 -6.689 4.730 1.259 679 HG23 THR 90 2HG2 THR 90 -8.357 5.236 0.989 680 H LEU 91 H LEU 91 -3.634 5.679 1.415 681 HA LEU 91 HA LEU 91 -3.132 3.252 -0.167 682 HB2 LEU 91 1HB LEU 91 -1.366 4.305 2.018 683 HB3 LEU 91 2HB LEU 91 -0.959 3.182 0.723 684 HG LEU 91 HG LEU 91 -1.573 6.105 0.303 685 HD11 LEU 91 1HD1 LEU 91 0.429 6.415 1.269 686 HD12 LEU 91 2HD1 LEU 91 1.059 5.813 -0.264 687 HD13 LEU 91 3HD1 LEU 91 0.886 4.719 1.108 688 HD21 LEU 91 3HD2 LEU 91 -0.077 5.252 -1.800 689 HD22 LEU 91 1HD2 LEU 91 -1.838 5.354 -1.795 690 HD23 LEU 91 2HD2 LEU 91 -1.043 3.817 -1.454 691 H LEU 92 H LEU 92 -2.809 1.243 0.946 692 HA LEU 92 HA LEU 92 -4.086 1.133 3.598 693 HB2 LEU 92 1HB LEU 92 -4.486 -0.646 1.212 694 HB3 LEU 92 2HB LEU 92 -4.903 -1.160 2.845 695 HG LEU 92 HG LEU 92 -6.088 1.226 1.429 696 HD11 LEU 92 1HD1 LEU 92 -7.939 -0.877 2.014 697 HD12 LEU 92 2HD1 LEU 92 -6.610 -1.506 1.040 698 HD13 LEU 92 3HD1 LEU 92 -7.551 -0.130 0.464 699 HD21 LEU 92 3HD2 LEU 92 -7.785 0.542 3.435 700 HD22 LEU 92 1HD2 LEU 92 -6.557 1.804 3.547 701 HD23 LEU 92 2HD2 LEU 92 -6.222 0.189 4.171 702 H VAL 93 H VAL 93 -2.504 0.666 4.984 703 HA VAL 93 HA VAL 93 -0.529 -1.384 4.222 704 HB VAL 93 HB VAL 93 0.967 -0.437 5.888 705 HG11 VAL 93 1HG1 VAL 93 0.874 2.048 4.838 706 HG12 VAL 93 2HG1 VAL 93 1.541 0.648 3.995 707 HG13 VAL 93 3HG1 VAL 93 -0.112 1.171 3.668 708 HG21 VAL 93 3HG2 VAL 93 0.381 1.672 7.039 709 HG22 VAL 93 1HG2 VAL 93 -1.258 1.534 6.402 710 HG23 VAL 93 2HG2 VAL 93 -0.642 0.321 7.525 711 H LEU 94 H LEU 94 -0.204 -3.143 5.506 712 HA LEU 94 HA LEU 94 -2.032 -3.444 7.796 713 HB2 LEU 94 1HB LEU 94 -2.447 -4.927 5.842 714 HB3 LEU 94 2HB LEU 94 -0.845 -5.620 6.083 715 HG LEU 94 HG LEU 94 -1.600 -6.369 8.349 716 HD11 LEU 94 1HD1 LEU 94 -4.344 -5.657 7.330 717 HD12 LEU 94 2HD1 LEU 94 -3.456 -4.727 8.536 718 HD13 LEU 94 3HD1 LEU 94 -3.935 -6.388 8.882 719 HD21 LEU 94 3HD2 LEU 94 -3.519 -7.846 6.915 720 HD22 LEU 94 1HD2 LEU 94 -1.843 -8.282 7.253 721 HD23 LEU 94 2HD2 LEU 94 -2.247 -7.421 5.768 722 H ASP 95 H ASP 95 -1.262 -4.902 9.524 723 HA ASP 95 HA ASP 95 1.353 -4.141 10.373 724 HB2 ASP 95 1HB ASP 95 -0.299 -6.312 11.648 725 HB3 ASP 95 2HB ASP 95 0.848 -5.214 12.411 726 H GLY 96 H GLY 96 3.232 -5.130 10.032 727 HA2 GLY 96 1HA GLY 96 3.837 -7.040 8.273 728 HA3 GLY 96 2HA GLY 96 4.730 -6.897 9.779 729 H ASP 97 H ASP 97 3.773 -8.071 11.670 730 HA ASP 97 HA ASP 97 3.732 -10.739 11.401 731 HB2 ASP 97 1HB ASP 97 2.385 -10.879 13.472 732 HB3 ASP 97 2HB ASP 97 3.654 -9.663 13.583 733 H SER 98 H SER 98 0.760 -8.769 11.355 734 HA SER 98 HA SER 98 -1.047 -10.807 10.830 735 HB2 SER 98 1HB SER 98 -1.072 -7.879 10.108 736 HB3 SER 98 2HB SER 98 -2.427 -8.945 9.736 737 HG SER 98 HG SER 98 -1.529 -7.988 12.187 738 H TYR 99 H TYR 99 0.808 -8.821 8.554 739 HA TYR 99 HA TYR 99 -0.305 -9.873 6.195 740 HB2 TYR 99 1HB TYR 99 1.170 -7.787 6.499 741 HB3 TYR 99 2HB TYR 99 2.535 -8.894 6.412 742 HD1 TYR 99 2HD TYR 99 2.308 -10.614 4.328 743 HD2 TYR 99 1HD TYR 99 0.599 -6.724 4.542 744 HE1 TYR 99 2HE TYR 99 2.235 -10.518 1.871 745 HE2 TYR 99 1HE TYR 99 0.520 -6.617 2.086 746 HH TYR 99 HH TYR 99 0.489 -8.852 0.148 747 H GLU 100 H GLU 100 2.808 -10.640 7.762 748 HA GLU 100 HA GLU 100 3.580 -12.714 6.095 749 HB2 GLU 100 1HB GLU 100 4.093 -12.329 9.047 750 HB3 GLU 100 2HB GLU 100 4.906 -13.537 8.061 751 HG2 GLU 100 1HG GLU 100 5.577 -11.539 6.574 752 HG3 GLU 100 2HG GLU 100 5.152 -10.560 7.977 753 H LYS 101 H LYS 101 1.393 -12.745 8.848 754 HA LYS 101 HA LYS 101 1.145 -15.560 9.055 755 HB2 LYS 101 1HB LYS 101 0.442 -13.661 10.709 756 HB3 LYS 101 2HB LYS 101 -1.070 -13.685 9.811 757 HG2 LYS 101 1HG LYS 101 -1.004 -16.238 10.277 758 HG3 LYS 101 2HG LYS 101 0.130 -15.790 11.554 759 HD2 LYS 101 1HD LYS 101 -1.930 -15.767 12.637 760 HD3 LYS 101 2HD LYS 101 -1.666 -14.068 12.237 761 HE2 LYS 101 1HE LYS 101 -3.276 -14.066 10.595 762 HE3 LYS 101 2HE LYS 101 -3.130 -15.798 10.300 763 HZ1 LYS 101 3HZ LYS 101 -4.021 -15.755 12.823 764 HZ2 LYS 101 1HZ LYS 101 -5.024 -15.887 11.467 765 HZ3 LYS 101 2HZ LYS 101 -4.788 -14.381 12.200 766 H ALA 102 H ALA 102 -1.014 -13.122 7.601 767 HA ALA 102 HA ALA 102 -2.861 -14.932 6.523 768 HB1 ALA 102 3HB ALA 102 -2.556 -12.165 6.593 769 HB2 ALA 102 1HB ALA 102 -2.579 -12.579 4.878 770 HB3 ALA 102 2HB ALA 102 -3.914 -13.069 5.923 771 H VAL 103 H VAL 103 -0.348 -13.117 4.749 772 HA VAL 103 HA VAL 103 -0.544 -14.361 2.315 773 HB VAL 103 HB VAL 103 0.949 -12.426 2.851 774 HG11 VAL 103 1HG1 VAL 103 2.541 -12.633 4.382 775 HG12 VAL 103 2HG1 VAL 103 2.152 -14.344 4.573 776 HG13 VAL 103 3HG1 VAL 103 3.348 -13.838 3.378 777 HG21 VAL 103 3HG2 VAL 103 1.628 -14.720 1.135 778 HG22 VAL 103 1HG2 VAL 103 1.415 -13.018 0.727 779 HG23 VAL 103 2HG2 VAL 103 2.937 -13.574 1.424 780 H LYS 104 H LYS 104 0.621 -15.687 5.264 781 HA LYS 104 HA LYS 104 2.106 -17.836 4.026 782 HB2 LYS 104 1HB LYS 104 1.478 -16.999 6.820 783 HB3 LYS 104 2HB LYS 104 1.929 -18.675 6.538 784 HG2 LYS 104 1HG LYS 104 3.592 -16.350 5.612 785 HG3 LYS 104 2HG LYS 104 3.800 -17.131 7.181 786 HD2 LYS 104 1HD LYS 104 3.865 -18.674 4.601 787 HD3 LYS 104 2HD LYS 104 5.308 -17.917 5.279 788 HE2 LYS 104 1HE LYS 104 3.615 -19.710 6.971 789 HE3 LYS 104 2HE LYS 104 4.764 -20.403 5.829 790 HZ1 LYS 104 3HZ LYS 104 6.556 -19.417 6.934 791 HZ2 LYS 104 1HZ LYS 104 5.574 -20.011 8.178 792 HZ3 LYS 104 2HZ LYS 104 5.568 -18.360 7.810 793 H ASN 105 H ASN 105 -1.019 -17.407 5.621 794 HA ASN 105 HA ASN 105 -1.706 -20.201 5.161 795 HB2 ASN 105 1HB ASN 105 -3.369 -18.009 6.421 796 HB3 ASN 105 2HB ASN 105 -3.712 -19.736 6.454 797 HD21 ASN 105 1HD2 ASN 105 -3.017 -17.536 8.487 798 HD22 ASN 105 2HD2 ASN 105 -1.833 -18.292 9.494 799 H GLN 106 H GLN 106 -1.392 -18.051 3.024 800 HA GLN 106 HA GLN 106 -2.456 -17.299 1.143 801 HB2 GLN 106 1HB GLN 106 -3.369 -20.136 1.481 802 HB3 GLN 106 2HB GLN 106 -3.956 -19.175 0.131 803 HG2 GLN 106 1HG GLN 106 -1.802 -18.940 -0.777 804 HG3 GLN 106 2HG GLN 106 -1.032 -19.505 0.704 805 HE21 GLN 106 1HE2 GLN 106 -1.504 -21.763 1.324 806 HE22 GLN 106 2HE2 GLN 106 -1.649 -22.936 0.064 807 H VAL 107 H VAL 107 -3.676 -16.265 3.379 808 HA VAL 107 HA VAL 107 -6.533 -16.665 3.205 809 HB VAL 107 HB VAL 107 -4.956 -14.627 4.784 810 HG11 VAL 107 1HG1 VAL 107 -7.277 -13.944 4.356 811 HG12 VAL 107 2HG1 VAL 107 -7.842 -15.466 5.047 812 HG13 VAL 107 3HG1 VAL 107 -6.995 -14.297 6.061 813 HG21 VAL 107 3HG2 VAL 107 -5.363 -17.436 5.164 814 HG22 VAL 107 1HG2 VAL 107 -4.440 -16.301 6.149 815 HG23 VAL 107 2HG2 VAL 107 -6.159 -16.542 6.459 816 H ASP 108 H ASP 108 -8.029 -15.291 2.338 817 HA ASP 108 HA ASP 108 -7.359 -13.754 0.121 818 HB2 ASP 108 1HB ASP 108 -9.817 -13.758 1.870 819 HB3 ASP 108 2HB ASP 108 -9.694 -12.773 0.415 820 H LEU 109 H LEU 109 -6.547 -11.781 -0.127 821 HA LEU 109 HA LEU 109 -6.458 -10.009 2.219 822 HB2 LEU 109 1HB LEU 109 -4.708 -10.125 -0.231 823 HB3 LEU 109 2HB LEU 109 -4.583 -8.893 1.023 824 HG LEU 109 HG LEU 109 -4.190 -11.838 1.530 825 HD11 LEU 109 1HD1 LEU 109 -2.532 -10.881 -0.080 826 HD12 LEU 109 2HD1 LEU 109 -1.839 -11.484 1.425 827 HD13 LEU 109 3HD1 LEU 109 -2.050 -9.749 1.185 828 HD21 LEU 109 3HD2 LEU 109 -4.793 -10.022 3.351 829 HD22 LEU 109 1HD2 LEU 109 -3.073 -9.660 3.216 830 HD23 LEU 109 2HD2 LEU 109 -3.599 -11.283 3.664 831 H LYS 110 H LYS 110 -7.273 -10.181 -1.193 832 HA LYS 110 HA LYS 110 -7.712 -7.541 -1.819 833 HB2 LYS 110 1HB LYS 110 -9.142 -10.051 -2.657 834 HB3 LYS 110 2HB LYS 110 -9.619 -8.479 -3.286 835 HG2 LYS 110 1HG LYS 110 -7.339 -8.152 -4.145 836 HG3 LYS 110 2HG LYS 110 -6.907 -9.760 -3.559 837 HD2 LYS 110 1HD LYS 110 -8.662 -10.722 -5.007 838 HD3 LYS 110 2HD LYS 110 -9.001 -9.107 -5.633 839 HE2 LYS 110 1HE LYS 110 -6.471 -9.070 -6.198 840 HE3 LYS 110 2HE LYS 110 -6.577 -10.821 -6.024 841 HZ1 LYS 110 3HZ LYS 110 -6.922 -9.827 -8.330 842 HZ2 LYS 110 1HZ LYS 110 -8.444 -9.344 -7.771 843 HZ3 LYS 110 2HZ LYS 110 -8.038 -10.985 -7.806 844 H GLU 111 H GLU 111 -9.595 -9.625 0.240 845 HA GLU 111 HA GLU 111 -11.954 -8.043 0.299 846 HB2 GLU 111 1HB GLU 111 -12.572 -9.376 2.247 847 HB3 GLU 111 2HB GLU 111 -11.937 -10.404 0.970 848 HG2 GLU 111 1HG GLU 111 -9.723 -10.325 2.164 849 HG3 GLU 111 2HG GLU 111 -10.569 -9.555 3.505 850 H LEU 112 H LEU 112 -8.958 -8.023 2.115 851 HA LEU 112 HA LEU 112 -9.548 -6.569 4.340 852 HB2 LEU 112 1HB LEU 112 -7.164 -6.086 2.560 853 HB3 LEU 112 2HB LEU 112 -7.288 -5.694 4.274 854 HG LEU 112 HG LEU 112 -7.364 -8.497 3.162 855 HD11 LEU 112 1HD1 LEU 112 -5.122 -6.722 3.915 856 HD12 LEU 112 2HD1 LEU 112 -5.183 -8.050 2.756 857 HD13 LEU 112 3HD1 LEU 112 -5.046 -8.391 4.481 858 HD21 LEU 112 3HD2 LEU 112 -6.805 -9.006 5.587 859 HD22 LEU 112 1HD2 LEU 112 -8.452 -8.474 5.248 860 HD23 LEU 112 2HD2 LEU 112 -7.286 -7.345 5.938 861 H ASP 113 H ASP 113 -11.110 -5.023 4.209 862 HA ASP 113 HA ASP 113 -10.416 -2.613 2.669 863 HB2 ASP 113 1HB ASP 113 -12.833 -2.247 2.256 864 HB3 ASP 113 2HB ASP 113 -12.234 -3.721 1.499 865 H GLN 114 H GLN 114 -9.642 -1.434 4.364 866 HA GLN 114 HA GLN 114 -10.300 -1.317 6.960 867 HB2 GLN 114 1HB GLN 114 -8.727 0.203 5.521 868 HB3 GLN 114 2HB GLN 114 -10.103 1.297 5.511 869 HG2 GLN 114 1HG GLN 114 -8.951 0.190 8.050 870 HG3 GLN 114 2HG GLN 114 -8.350 1.666 7.298 871 HE21 GLN 114 1HE2 GLN 114 -9.921 3.391 6.944 872 HE22 GLN 114 2HE2 GLN 114 -11.206 3.593 8.080 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -33.292 -22.639 15.548 2 HA2 GLY 1 1HA GLY 1 -32.495 -21.261 13.761 3 HA3 GLY 1 2HA GLY 1 -34.201 -21.519 13.427 4 H SER 2 H SER 2 -34.085 -19.515 12.228 5 HA SER 2 HA SER 2 -34.358 -17.271 11.948 6 HB2 SER 2 1HB SER 2 -36.408 -17.740 13.215 7 HB3 SER 2 2HB SER 2 -35.536 -17.501 14.729 8 HG SER 2 HG SER 2 -35.442 -15.446 12.847 9 H SER 3 H SER 3 -31.798 -17.954 12.726 10 HA SER 3 HA SER 3 -31.057 -15.784 14.576 11 HB2 SER 3 1HB SER 3 -30.438 -18.080 15.327 12 HB3 SER 3 2HB SER 3 -29.442 -18.250 13.882 13 HG SER 3 HG SER 3 -27.947 -17.113 14.816 14 H GLY 4 H GLY 4 -29.806 -17.566 11.746 15 HA2 GLY 4 1HA GLY 4 -29.453 -15.922 9.800 16 HA3 GLY 4 2HA GLY 4 -28.386 -15.114 10.940 17 H SER 5 H SER 5 -28.031 -16.610 8.290 18 HA SER 5 HA SER 5 -26.146 -18.682 9.129 19 HB2 SER 5 1HB SER 5 -27.852 -19.069 7.284 20 HB3 SER 5 2HB SER 5 -26.906 -17.955 6.297 21 HG SER 5 HG SER 5 -25.596 -19.536 5.907 22 H SER 6 H SER 6 -24.258 -17.791 9.736 23 HA SER 6 HA SER 6 -22.932 -16.002 7.807 24 HB2 SER 6 1HB SER 6 -21.860 -14.842 9.690 25 HB3 SER 6 2HB SER 6 -23.617 -14.733 9.801 26 HG SER 6 HG SER 6 -21.937 -15.671 11.607 27 H GLY 7 H GLY 7 -21.289 -17.045 6.905 28 HA2 GLY 7 1HA GLY 7 -19.729 -18.905 8.591 29 HA3 GLY 7 2HA GLY 7 -20.016 -19.164 6.877 30 H MET 8 H MET 8 -18.045 -17.642 9.236 31 HA MET 8 HA MET 8 -16.276 -16.686 7.098 32 HB2 MET 8 1HB MET 8 -17.228 -15.138 9.497 33 HB3 MET 8 2HB MET 8 -15.720 -14.738 8.685 34 HG2 MET 8 1HG MET 8 -17.284 -14.748 6.556 35 HG3 MET 8 2HG MET 8 -18.518 -14.409 7.767 36 HE1 MET 8 3HE MET 8 -14.628 -12.339 7.247 37 HE2 MET 8 1HE MET 8 -15.254 -13.705 6.323 38 HE3 MET 8 2HE MET 8 -15.520 -12.057 5.751 39 H ALA 9 H ALA 9 -14.131 -17.030 7.436 40 HA ALA 9 HA ALA 9 -13.428 -18.732 9.683 41 HB1 ALA 9 3HB ALA 9 -12.738 -18.972 7.157 42 HB2 ALA 9 1HB ALA 9 -11.432 -17.891 7.641 43 HB3 ALA 9 2HB ALA 9 -11.635 -19.445 8.450 44 H SER 10 H SER 10 -12.008 -15.821 8.177 45 HA SER 10 HA SER 10 -11.687 -14.448 10.626 46 HB2 SER 10 1HB SER 10 -9.215 -14.539 10.793 47 HB3 SER 10 2HB SER 10 -9.959 -16.115 11.064 48 HG SER 10 HG SER 10 -9.557 -16.209 8.586 49 H THR 11 H THR 11 -10.140 -12.526 10.330 50 HA THR 11 HA THR 11 -9.506 -11.696 7.676 51 HB THR 11 HB THR 11 -11.976 -11.393 7.638 52 HG1 THR 11 1HG THR 11 -10.228 -9.863 6.688 53 HG21 THR 11 3HG2 THR 11 -12.055 -8.994 9.234 54 HG22 THR 11 1HG2 THR 11 -11.573 -10.376 10.218 55 HG23 THR 11 2HG2 THR 11 -13.086 -10.423 9.312 56 H PHE 12 H PHE 12 -8.194 -9.896 7.646 57 HA PHE 12 HA PHE 12 -7.262 -9.000 10.261 58 HB2 PHE 12 1HB PHE 12 -6.108 -8.588 7.495 59 HB3 PHE 12 2HB PHE 12 -5.362 -8.034 8.991 60 HD1 PHE 12 2HD PHE 12 -6.228 -10.973 6.973 61 HD2 PHE 12 1HD PHE 12 -4.223 -9.548 10.446 62 HE1 PHE 12 2HE PHE 12 -5.096 -13.145 7.206 63 HE2 PHE 12 1HE PHE 12 -3.087 -11.718 10.684 64 HZ PHE 12 HZ PHE 12 -3.524 -13.520 9.064 65 H ASN 13 H ASN 13 -6.700 -6.685 10.535 66 HA ASN 13 HA ASN 13 -8.759 -4.985 9.292 67 HB2 ASN 13 1HB ASN 13 -9.304 -4.883 11.526 68 HB3 ASN 13 2HB ASN 13 -7.641 -5.124 12.053 69 HD21 ASN 13 1HD2 ASN 13 -6.740 -3.430 12.947 70 HD22 ASN 13 2HD2 ASN 13 -7.126 -1.776 12.628 71 HA PRO 14 HA PRO 14 -4.927 -3.249 7.551 72 HB2 PRO 14 1HB PRO 14 -6.165 -2.143 5.402 73 HB3 PRO 14 2HB PRO 14 -5.680 -3.842 5.463 74 HG2 PRO 14 1HG PRO 14 -8.371 -2.622 5.943 75 HG3 PRO 14 2HG PRO 14 -7.952 -4.084 5.031 76 HD2 PRO 14 1HD PRO 14 -8.921 -4.171 7.558 77 HD3 PRO 14 2HD PRO 14 -7.771 -5.371 6.934 78 H ARG 15 H ARG 15 -4.338 -1.014 6.994 79 HA ARG 15 HA ARG 15 -6.035 0.945 8.398 80 HB2 ARG 15 1HB ARG 15 -3.057 0.576 8.361 81 HB3 ARG 15 2HB ARG 15 -3.747 2.162 8.679 82 HG2 ARG 15 1HG ARG 15 -4.742 1.466 10.668 83 HG3 ARG 15 2HG ARG 15 -4.604 -0.242 10.244 84 HD2 ARG 15 1HD ARG 15 -2.340 1.630 10.929 85 HD3 ARG 15 2HD ARG 15 -2.977 0.339 11.947 86 HE ARG 15 HE ARG 15 -2.256 -1.015 9.762 87 HH11 ARG 15 1HH1 ARG 15 -0.578 1.405 11.618 88 HH12 ARG 15 2HH1 ARG 15 0.995 0.773 11.263 89 HH21 ARG 15 1HH2 ARG 15 -0.190 -1.856 9.286 90 HH22 ARG 15 2HH2 ARG 15 1.215 -1.081 9.936 91 H GLU 16 H GLU 16 -6.555 2.791 7.361 92 HA GLU 16 HA GLU 16 -5.664 3.050 4.586 93 HB2 GLU 16 1HB GLU 16 -8.120 3.035 5.211 94 HB3 GLU 16 2HB GLU 16 -7.855 4.604 5.960 95 HG2 GLU 16 1HG GLU 16 -7.289 5.592 3.871 96 HG3 GLU 16 2HG GLU 16 -7.260 4.021 3.072 97 H CYS 17 H CYS 17 -4.714 4.892 3.771 98 HA CYS 17 HA CYS 17 -4.067 7.041 5.659 99 HB2 CYS 17 1HB CYS 17 -2.072 5.581 3.917 100 HB3 CYS 17 2HB CYS 17 -1.728 7.071 4.787 101 HG CYS 17 HG CYS 17 -2.861 5.217 7.094 102 H LYS 18 H LYS 18 -4.100 9.050 4.801 103 HA LYS 18 HA LYS 18 -4.543 9.253 1.894 104 HB2 LYS 18 1HB LYS 18 -5.834 10.632 4.211 105 HB3 LYS 18 2HB LYS 18 -5.686 11.498 2.687 106 HG2 LYS 18 1HG LYS 18 -7.071 10.002 1.561 107 HG3 LYS 18 2HG LYS 18 -6.887 8.757 2.799 108 HD2 LYS 18 1HD LYS 18 -8.143 11.387 3.479 109 HD3 LYS 18 2HD LYS 18 -9.090 10.130 2.681 110 HE2 LYS 18 1HE LYS 18 -8.289 8.576 4.529 111 HE3 LYS 18 2HE LYS 18 -7.733 10.027 5.362 112 HZ1 LYS 18 3HZ LYS 18 -10.511 9.307 4.632 113 HZ2 LYS 18 1HZ LYS 18 -10.071 10.868 5.114 114 HZ3 LYS 18 2HZ LYS 18 -9.876 9.568 6.178 115 H LEU 19 H LEU 19 -2.453 9.679 1.269 116 HA LEU 19 HA LEU 19 -0.841 11.647 2.603 117 HB2 LEU 19 1HB LEU 19 -0.547 9.854 0.259 118 HB3 LEU 19 2HB LEU 19 0.473 11.291 0.314 119 HG LEU 19 HG LEU 19 1.054 10.402 2.716 120 HD11 LEU 19 1HD1 LEU 19 1.191 7.807 2.411 121 HD12 LEU 19 2HD1 LEU 19 -0.197 8.065 1.355 122 HD13 LEU 19 3HD1 LEU 19 -0.272 8.560 3.046 123 HD21 LEU 19 3HD2 LEU 19 2.108 9.575 0.051 124 HD22 LEU 19 1HD2 LEU 19 2.788 8.856 1.511 125 HD23 LEU 19 2HD2 LEU 19 2.839 10.604 1.284 126 H SER 20 H SER 20 -0.583 13.750 2.122 127 HA SER 20 HA SER 20 -1.843 14.782 -0.329 128 HB2 SER 20 1HB SER 20 -3.147 15.152 1.890 129 HB3 SER 20 2HB SER 20 -1.901 16.352 2.235 130 HG SER 20 HG SER 20 -2.544 16.995 -0.112 131 H LYS 21 H LYS 21 -0.681 16.243 -1.449 132 HA LYS 21 HA LYS 21 1.526 17.654 -0.191 133 HB2 LYS 21 1HB LYS 21 3.215 16.862 -1.695 134 HB3 LYS 21 2HB LYS 21 2.451 15.458 -0.961 135 HG2 LYS 21 1HG LYS 21 1.190 15.027 -2.952 136 HG3 LYS 21 2HG LYS 21 1.749 16.532 -3.684 137 HD2 LYS 21 1HD LYS 21 4.105 15.587 -3.412 138 HD3 LYS 21 2HD LYS 21 3.320 14.037 -3.097 139 HE2 LYS 21 1HE LYS 21 2.490 13.874 -5.248 140 HE3 LYS 21 2HE LYS 21 2.571 15.613 -5.522 141 HZ1 LYS 21 3HZ LYS 21 5.160 14.931 -5.125 142 HZ2 LYS 21 1HZ LYS 21 4.428 15.146 -6.635 143 HZ3 LYS 21 2HZ LYS 21 4.564 13.595 -5.975 144 H GLN 22 H GLN 22 2.574 19.186 -1.775 145 HA GLN 22 HA GLN 22 0.470 20.462 -3.329 146 HB2 GLN 22 1HB GLN 22 3.266 21.473 -2.809 147 HB3 GLN 22 2HB GLN 22 1.882 22.405 -3.363 148 HG2 GLN 22 1HG GLN 22 1.758 21.000 -0.737 149 HG3 GLN 22 2HG GLN 22 2.638 22.520 -0.879 150 HE21 GLN 22 1HE2 GLN 22 1.520 24.307 -0.580 151 HE22 GLN 22 2HE2 GLN 22 -0.197 24.463 -0.687 152 H GLU 23 H GLU 23 0.763 21.149 -5.503 153 HA GLU 23 HA GLU 23 1.780 19.213 -7.228 154 HB2 GLU 23 1HB GLU 23 1.453 20.876 -9.017 155 HB3 GLU 23 2HB GLU 23 0.073 20.793 -7.930 156 HG2 GLU 23 1HG GLU 23 0.867 22.802 -6.779 157 HG3 GLU 23 2HG GLU 23 2.229 22.892 -7.893 158 H GLY 24 H GLY 24 3.794 18.691 -7.743 159 HA2 GLY 24 1HA GLY 24 5.915 19.285 -8.700 160 HA3 GLY 24 2HA GLY 24 5.821 20.823 -7.854 161 H GLN 25 H GLN 25 5.053 19.742 -5.312 162 HA GLN 25 HA GLN 25 7.643 19.126 -4.298 163 HB2 GLN 25 1HB GLN 25 5.801 20.406 -3.103 164 HB3 GLN 25 2HB GLN 25 5.036 18.851 -2.808 165 HG2 GLN 25 1HG GLN 25 6.605 18.206 -1.288 166 HG3 GLN 25 2HG GLN 25 7.878 19.179 -2.023 167 HE21 GLN 25 1HE2 GLN 25 8.560 20.620 -0.619 168 HE22 GLN 25 2HE2 GLN 25 7.569 21.585 0.417 169 H ASN 26 H ASN 26 8.033 17.243 -2.831 170 HA ASN 26 HA ASN 26 7.040 14.803 -4.126 171 HB2 ASN 26 1HB ASN 26 9.405 15.028 -2.261 172 HB3 ASN 26 2HB ASN 26 9.025 13.712 -3.369 173 HD21 ASN 26 1HD2 ASN 26 8.610 14.742 -5.712 174 HD22 ASN 26 2HD2 ASN 26 9.938 15.697 -6.268 175 H TYR 27 H TYR 27 6.902 12.859 -2.635 176 HA TYR 27 HA TYR 27 5.225 13.596 -0.372 177 HB2 TYR 27 1HB TYR 27 5.619 11.145 -2.019 178 HB3 TYR 27 2HB TYR 27 5.051 10.936 -0.366 179 HD1 TYR 27 2HD TYR 27 3.176 12.966 0.154 180 HD2 TYR 27 1HD TYR 27 3.902 10.988 -3.542 181 HE1 TYR 27 2HE TYR 27 0.882 13.481 -0.565 182 HE2 TYR 27 1HE TYR 27 1.610 11.499 -4.273 183 HH TYR 27 HH TYR 27 -0.769 12.754 -2.116 184 H GLY 28 H GLY 28 8.245 11.916 -1.054 185 HA2 GLY 28 1HA GLY 28 10.018 12.117 0.613 186 HA3 GLY 28 2HA GLY 28 8.787 11.910 1.849 187 H PHE 29 H PHE 29 7.517 9.773 0.130 188 HA PHE 29 HA PHE 29 9.393 7.623 0.859 189 HB2 PHE 29 1HB PHE 29 7.630 6.301 1.538 190 HB3 PHE 29 2HB PHE 29 7.005 7.895 1.945 191 HD1 PHE 29 1HD PHE 29 5.479 9.035 0.249 192 HD2 PHE 29 2HD PHE 29 6.452 4.893 0.115 193 HE1 PHE 29 1HE PHE 29 3.503 8.619 -1.158 194 HE2 PHE 29 2HE PHE 29 4.478 4.471 -1.292 195 HZ PHE 29 HZ PHE 29 3.001 6.336 -1.931 196 H PHE 30 H PHE 30 9.623 5.838 -0.533 197 HA PHE 30 HA PHE 30 8.560 6.196 -3.251 198 HB2 PHE 30 1HB PHE 30 11.409 5.507 -2.507 199 HB3 PHE 30 2HB PHE 30 10.759 5.425 -4.141 200 HD1 PHE 30 1HD PHE 30 9.604 7.653 -4.964 201 HD2 PHE 30 2HD PHE 30 12.515 7.412 -1.868 202 HE1 PHE 30 1HE PHE 30 10.159 10.026 -5.305 203 HE2 PHE 30 2HE PHE 30 13.073 9.784 -2.202 204 HZ PHE 30 HZ PHE 30 11.894 11.095 -3.922 205 H LEU 31 H LEU 31 8.339 4.272 -4.485 206 HA LEU 31 HA LEU 31 7.739 1.960 -2.855 207 HB2 LEU 31 1HB LEU 31 7.358 2.603 -5.766 208 HB3 LEU 31 2HB LEU 31 6.997 1.014 -5.094 209 HG LEU 31 HG LEU 31 5.717 3.462 -3.941 210 HD11 LEU 31 1HD1 LEU 31 4.139 2.037 -5.944 211 HD12 LEU 31 2HD1 LEU 31 5.504 2.932 -6.612 212 HD13 LEU 31 3HD1 LEU 31 4.294 3.767 -5.637 213 HD21 LEU 31 3HD2 LEU 31 5.435 0.557 -3.756 214 HD22 LEU 31 1HD2 LEU 31 3.910 1.415 -3.974 215 HD23 LEU 31 2HD2 LEU 31 4.963 1.821 -2.619 216 H ARG 32 H ARG 32 9.329 0.617 -2.323 217 HA ARG 32 HA ARG 32 11.421 0.051 -4.317 218 HB2 ARG 32 1HB ARG 32 11.446 0.062 -1.312 219 HB3 ARG 32 2HB ARG 32 12.653 -0.837 -2.222 220 HG2 ARG 32 1HG ARG 32 12.129 2.111 -2.532 221 HG3 ARG 32 2HG ARG 32 13.402 1.413 -1.528 222 HD2 ARG 32 1HD ARG 32 14.589 1.794 -3.440 223 HD3 ARG 32 2HD ARG 32 14.003 0.165 -3.775 224 HE ARG 32 HE ARG 32 12.778 1.016 -5.502 225 HH11 ARG 32 1HH1 ARG 32 13.630 3.615 -3.348 226 HH12 ARG 32 2HH1 ARG 32 12.994 4.853 -4.380 227 HH21 ARG 32 1HH2 ARG 32 11.937 2.637 -6.869 228 HH22 ARG 32 2HH2 ARG 32 12.031 4.295 -6.382 229 H ILE 33 H ILE 33 11.606 -1.948 -5.112 230 HA ILE 33 HA ILE 33 9.826 -4.017 -4.048 231 HB ILE 33 HB ILE 33 10.250 -5.212 -6.158 232 HG12 ILE 33 1HG1 ILE 33 11.714 -2.754 -7.106 233 HG13 ILE 33 2HG1 ILE 33 12.564 -4.140 -6.432 234 HG21 ILE 33 1HG2 ILE 33 9.192 -3.454 -7.675 235 HG22 ILE 33 2HG2 ILE 33 8.332 -3.867 -6.192 236 HG23 ILE 33 3HG2 ILE 33 9.272 -2.378 -6.281 237 HD11 ILE 33 3HD1 ILE 33 11.043 -5.375 -8.266 238 HD12 ILE 33 1HD1 ILE 33 11.251 -3.804 -9.040 239 HD13 ILE 33 2HD1 ILE 33 12.664 -4.759 -8.587 240 H GLU 34 H GLU 34 10.543 -6.049 -3.456 241 HA GLU 34 HA GLU 34 13.462 -6.345 -3.183 242 HB2 GLU 34 1HB GLU 34 12.068 -5.944 -1.052 243 HB3 GLU 34 2HB GLU 34 11.479 -7.583 -1.291 244 HG2 GLU 34 1HG GLU 34 13.383 -7.376 0.298 245 HG3 GLU 34 2HG GLU 34 13.655 -8.494 -1.038 246 H LYS 35 H LYS 35 14.308 -8.479 -3.311 247 HA LYS 35 HA LYS 35 12.942 -10.113 -5.238 248 HB2 LYS 35 1HB LYS 35 15.340 -9.864 -5.408 249 HB3 LYS 35 2HB LYS 35 15.561 -10.475 -3.773 250 HG2 LYS 35 1HG LYS 35 14.504 -12.632 -4.602 251 HG3 LYS 35 2HG LYS 35 14.726 -11.983 -6.229 252 HD2 LYS 35 1HD LYS 35 16.633 -13.297 -5.837 253 HD3 LYS 35 2HD LYS 35 17.168 -11.636 -5.573 254 HE2 LYS 35 1HE LYS 35 17.219 -11.898 -3.254 255 HE3 LYS 35 2HE LYS 35 16.189 -13.328 -3.300 256 HZ1 LYS 35 3HZ LYS 35 19.060 -13.089 -3.847 257 HZ2 LYS 35 1HZ LYS 35 18.182 -14.290 -4.653 258 HZ3 LYS 35 2HZ LYS 35 18.228 -14.266 -2.962 259 H ASP 36 H ASP 36 11.843 -11.962 -4.926 260 HA ASP 36 HA ASP 36 10.766 -13.670 -3.878 261 HB2 ASP 36 1HB ASP 36 13.312 -13.458 -2.345 262 HB3 ASP 36 2HB ASP 36 12.019 -14.436 -1.654 263 H THR 37 H THR 37 9.750 -11.174 -3.415 264 HA THR 37 HA THR 37 8.565 -11.533 -0.773 265 HB THR 37 HB THR 37 9.750 -8.892 -1.650 266 HG1 THR 37 1HG THR 37 11.449 -9.541 -0.583 267 HG21 THR 37 3HG2 THR 37 8.908 -9.154 1.122 268 HG22 THR 37 1HG2 THR 37 7.567 -9.337 -0.008 269 HG23 THR 37 2HG2 THR 37 8.560 -7.880 -0.047 270 H ASP 38 H ASP 38 6.455 -10.901 -0.649 271 HA ASP 38 HA ASP 38 5.224 -10.051 -3.167 272 HB2 ASP 38 1HB ASP 38 4.293 -11.586 -0.789 273 HB3 ASP 38 2HB ASP 38 3.097 -10.644 -1.675 274 H GLY 39 H GLY 39 3.802 -8.306 -3.294 275 HA2 GLY 39 1HA GLY 39 2.688 -6.392 -2.547 276 HA3 GLY 39 2HA GLY 39 3.361 -6.653 -0.945 277 H HIS 40 H HIS 40 3.408 -4.150 -1.603 278 HA HIS 40 HA HIS 40 6.056 -3.588 -2.757 279 HB2 HIS 40 1HB HIS 40 3.512 -2.004 -2.627 280 HB3 HIS 40 2HB HIS 40 5.055 -1.173 -2.796 281 HD1 HIS 40 1HD HIS 40 6.518 -2.018 -4.951 282 HD2 HIS 40 2HD HIS 40 2.445 -2.838 -4.977 283 HE1 HIS 40 1HE HIS 40 5.946 -2.512 -7.350 284 HE2 HIS 40 2HE HIS 40 3.461 -2.921 -7.354 285 H LEU 41 H LEU 41 7.623 -3.000 -1.420 286 HA LEU 41 HA LEU 41 6.927 -2.205 1.312 287 HB2 LEU 41 1HB LEU 41 9.508 -3.149 0.082 288 HB3 LEU 41 2HB LEU 41 9.359 -2.604 1.751 289 HG LEU 41 HG LEU 41 7.515 -4.488 1.845 290 HD11 LEU 41 1HD1 LEU 41 7.573 -6.115 0.290 291 HD12 LEU 41 2HD1 LEU 41 9.311 -5.960 0.034 292 HD13 LEU 41 3HD1 LEU 41 8.202 -4.825 -0.736 293 HD21 LEU 41 3HD2 LEU 41 8.991 -5.537 3.160 294 HD22 LEU 41 1HD2 LEU 41 10.080 -4.211 2.751 295 HD23 LEU 41 2HD2 LEU 41 10.162 -5.728 1.855 296 H ILE 42 H ILE 42 7.315 -0.221 2.096 297 HA ILE 42 HA ILE 42 8.312 1.798 0.253 298 HB ILE 42 HB ILE 42 7.054 2.050 2.986 299 HG12 ILE 42 1HG1 ILE 42 5.355 3.298 1.357 300 HG13 ILE 42 2HG1 ILE 42 6.062 2.199 0.178 301 HG21 ILE 42 1HG2 ILE 42 8.501 3.899 2.798 302 HG22 ILE 42 2HG2 ILE 42 8.107 4.135 1.096 303 HG23 ILE 42 3HG2 ILE 42 6.908 4.499 2.337 304 HD11 ILE 42 3HD1 ILE 42 4.420 0.839 0.862 305 HD12 ILE 42 1HD1 ILE 42 5.531 0.483 2.184 306 HD13 ILE 42 2HD1 ILE 42 4.238 1.661 2.411 307 H ARG 43 H ARG 43 10.154 2.966 0.510 308 HA ARG 43 HA ARG 43 11.716 2.704 2.951 309 HB2 ARG 43 1HB ARG 43 12.273 0.880 1.112 310 HB3 ARG 43 2HB ARG 43 13.185 2.206 0.402 311 HG2 ARG 43 1HG ARG 43 14.812 1.289 1.688 312 HG3 ARG 43 2HG ARG 43 14.119 2.403 2.868 313 HD2 ARG 43 1HD ARG 43 14.304 0.378 4.022 314 HD3 ARG 43 2HD ARG 43 12.608 0.457 3.548 315 HE ARG 43 HE ARG 43 12.941 -1.327 2.125 316 HH11 ARG 43 1HH1 ARG 43 15.993 -0.183 3.348 317 HH12 ARG 43 2HH1 ARG 43 16.887 -1.548 2.765 318 HH21 ARG 43 1HH2 ARG 43 14.107 -3.129 1.352 319 HH22 ARG 43 2HH2 ARG 43 15.813 -3.223 1.629 320 H VAL 44 H VAL 44 13.537 4.207 3.024 321 HA VAL 44 HA VAL 44 14.574 6.210 2.654 322 HB VAL 44 HB VAL 44 13.057 6.485 0.067 323 HG11 VAL 44 1HG1 VAL 44 15.001 7.787 -0.613 324 HG12 VAL 44 2HG1 VAL 44 14.290 8.448 0.860 325 HG13 VAL 44 3HG1 VAL 44 15.764 7.483 0.948 326 HG21 VAL 44 3HG2 VAL 44 15.696 5.073 0.419 327 HG22 VAL 44 1HG2 VAL 44 14.150 4.245 0.237 328 HG23 VAL 44 2HG2 VAL 44 14.768 5.257 -1.069 329 H ILE 45 H ILE 45 12.558 6.283 4.356 330 HA ILE 45 HA ILE 45 10.638 8.323 3.573 331 HB ILE 45 HB ILE 45 10.980 6.908 6.219 332 HG12 ILE 45 1HG1 ILE 45 8.955 6.448 4.018 333 HG13 ILE 45 2HG1 ILE 45 10.348 5.420 4.332 334 HG21 ILE 45 1HG2 ILE 45 9.751 8.661 6.921 335 HG22 ILE 45 2HG2 ILE 45 9.213 9.070 5.293 336 HG23 ILE 45 3HG2 ILE 45 8.423 7.768 6.181 337 HD11 ILE 45 3HD1 ILE 45 9.366 5.161 6.686 338 HD12 ILE 45 1HD1 ILE 45 7.882 5.797 5.978 339 HD13 ILE 45 2HD1 ILE 45 8.590 4.308 5.352 340 H GLU 46 H GLU 46 11.579 10.290 3.447 341 HA GLU 46 HA GLU 46 13.660 11.216 5.100 342 HB2 GLU 46 1HB GLU 46 12.703 12.108 2.811 343 HB3 GLU 46 2HB GLU 46 11.724 13.125 3.858 344 HG2 GLU 46 1HG GLU 46 13.893 14.108 3.010 345 HG3 GLU 46 2HG GLU 46 13.596 14.214 4.745 346 H GLU 47 H GLU 47 13.662 12.645 6.847 347 HA GLU 47 HA GLU 47 11.490 12.321 8.671 348 HB2 GLU 47 1HB GLU 47 14.076 12.654 9.090 349 HB3 GLU 47 2HB GLU 47 13.632 14.355 9.116 350 HG2 GLU 47 1HG GLU 47 12.396 14.147 11.038 351 HG3 GLU 47 2HG GLU 47 12.095 12.429 10.787 352 H GLY 48 H GLY 48 9.780 13.593 9.007 353 HA2 GLY 48 1HA GLY 48 8.505 15.532 9.103 354 HA3 GLY 48 2HA GLY 48 9.867 16.425 8.442 355 H SER 49 H SER 49 8.449 13.563 6.975 356 HA SER 49 HA SER 49 7.716 15.215 4.658 357 HB2 SER 49 1HB SER 49 7.718 13.030 3.417 358 HB3 SER 49 2HB SER 49 9.286 13.478 4.089 359 HG SER 49 HG SER 49 9.004 11.993 5.711 360 HA PRO 50 HA PRO 50 3.417 14.521 5.209 361 HB2 PRO 50 1HB PRO 50 2.567 14.409 2.633 362 HB3 PRO 50 2HB PRO 50 3.085 15.910 3.409 363 HG2 PRO 50 1HG PRO 50 4.608 14.107 1.568 364 HG3 PRO 50 2HG PRO 50 4.528 15.878 1.586 365 HD2 PRO 50 1HD PRO 50 6.610 14.503 2.639 366 HD3 PRO 50 2HD PRO 50 6.059 16.055 3.301 367 H ALA 51 H ALA 51 5.421 12.196 3.767 368 HA ALA 51 HA ALA 51 3.363 10.259 3.191 369 HB1 ALA 51 3HB ALA 51 5.672 10.499 2.060 370 HB2 ALA 51 1HB ALA 51 6.271 9.594 3.451 371 HB3 ALA 51 2HB ALA 51 5.052 8.882 2.393 372 H GLU 52 H GLU 52 5.731 10.831 5.752 373 HA GLU 52 HA GLU 52 5.070 8.440 7.188 374 HB2 GLU 52 1HB GLU 52 7.291 9.561 7.326 375 HB3 GLU 52 2HB GLU 52 6.526 10.898 8.172 376 HG2 GLU 52 1HG GLU 52 5.713 8.951 9.764 377 HG3 GLU 52 2HG GLU 52 7.148 8.159 9.116 378 H LYS 53 H LYS 53 4.163 11.839 7.383 379 HA LYS 53 HA LYS 53 2.924 12.063 9.779 380 HB2 LYS 53 1HB LYS 53 2.319 13.161 7.080 381 HB3 LYS 53 2HB LYS 53 1.099 13.369 8.330 382 HG2 LYS 53 1HG LYS 53 3.892 14.084 9.014 383 HG3 LYS 53 2HG LYS 53 3.017 15.145 7.908 384 HD2 LYS 53 1HD LYS 53 2.402 16.098 9.885 385 HD3 LYS 53 2HD LYS 53 1.128 14.883 9.755 386 HE2 LYS 53 1HE LYS 53 2.107 14.913 11.994 387 HE3 LYS 53 2HE LYS 53 2.406 13.376 11.183 388 HZ1 LYS 53 3HZ LYS 53 4.539 13.685 11.644 389 HZ2 LYS 53 1HZ LYS 53 4.273 15.263 12.192 390 HZ3 LYS 53 2HZ LYS 53 4.553 14.975 10.549 391 H ALA 54 H ALA 54 1.938 10.052 7.141 392 HA ALA 54 HA ALA 54 -0.679 9.532 8.315 393 HB1 ALA 54 3HB ALA 54 0.571 9.111 5.697 394 HB2 ALA 54 1HB ALA 54 -0.486 7.802 6.227 395 HB3 ALA 54 2HB ALA 54 -1.109 9.449 6.115 396 H GLY 55 H GLY 55 1.758 8.762 9.743 397 HA2 GLY 55 1HA GLY 55 2.521 6.991 10.987 398 HA3 GLY 55 2HA GLY 55 0.977 6.225 10.647 399 H LEU 56 H LEU 56 2.959 7.126 7.973 400 HA LEU 56 HA LEU 56 3.198 4.375 7.168 401 HB2 LEU 56 1HB LEU 56 2.848 6.531 5.728 402 HB3 LEU 56 2HB LEU 56 4.607 6.616 5.789 403 HG LEU 56 HG LEU 56 4.658 4.305 4.809 404 HD11 LEU 56 1HD1 LEU 56 1.948 4.593 3.737 405 HD12 LEU 56 2HD1 LEU 56 2.020 4.218 5.458 406 HD13 LEU 56 3HD1 LEU 56 2.807 3.156 4.291 407 HD21 LEU 56 3HD2 LEU 56 3.183 5.951 2.851 408 HD22 LEU 56 1HD2 LEU 56 4.761 5.173 2.725 409 HD23 LEU 56 2HD2 LEU 56 4.597 6.698 3.597 410 H LEU 57 H LEU 57 4.760 3.074 7.839 411 HA LEU 57 HA LEU 57 7.379 4.245 8.512 412 HB2 LEU 57 1HB LEU 57 5.752 2.100 9.761 413 HB3 LEU 57 2HB LEU 57 7.504 1.907 9.771 414 HG LEU 57 HG LEU 57 7.508 4.288 10.807 415 HD11 LEU 57 1HD1 LEU 57 4.732 3.872 10.506 416 HD12 LEU 57 2HD1 LEU 57 5.558 5.231 11.268 417 HD13 LEU 57 3HD1 LEU 57 5.084 3.833 12.234 418 HD21 LEU 57 3HD2 LEU 57 6.486 1.969 12.440 419 HD22 LEU 57 1HD2 LEU 57 7.431 3.344 13.012 420 HD23 LEU 57 2HD2 LEU 57 8.162 2.165 11.922 421 H ASP 58 H ASP 58 9.253 2.852 8.130 422 HA ASP 58 HA ASP 58 9.231 1.784 5.501 423 HB2 ASP 58 1HB ASP 58 11.561 1.355 5.819 424 HB3 ASP 58 2HB ASP 58 11.201 2.871 6.640 425 H GLY 59 H GLY 59 8.777 -0.204 4.812 426 HA2 GLY 59 1HA GLY 59 9.087 -2.598 5.006 427 HA3 GLY 59 2HA GLY 59 8.927 -2.424 6.748 428 H ASP 60 H ASP 60 6.729 -0.502 5.047 429 HA ASP 60 HA ASP 60 4.541 -2.229 5.866 430 HB2 ASP 60 1HB ASP 60 4.580 0.559 4.694 431 HB3 ASP 60 2HB ASP 60 3.114 -0.298 5.161 432 H ARG 61 H ARG 61 2.801 -2.803 4.435 433 HA ARG 61 HA ARG 61 3.647 -3.024 1.620 434 HB2 ARG 61 1HB ARG 61 2.500 -5.038 3.491 435 HB3 ARG 61 2HB ARG 61 2.011 -5.117 1.804 436 HG2 ARG 61 1HG ARG 61 3.829 -6.561 1.943 437 HG3 ARG 61 2HG ARG 61 4.510 -5.079 1.267 438 HD2 ARG 61 1HD ARG 61 5.515 -4.484 3.304 439 HD3 ARG 61 2HD ARG 61 4.534 -5.629 4.218 440 HE ARG 61 HE ARG 61 6.134 -6.998 2.333 441 HH11 ARG 61 1HH1 ARG 61 6.332 -5.299 5.366 442 HH12 ARG 61 2HH1 ARG 61 7.720 -6.178 5.917 443 HH21 ARG 61 1HH2 ARG 61 7.961 -8.162 3.048 444 HH22 ARG 61 2HH2 ARG 61 8.646 -7.806 4.597 445 H VAL 62 H VAL 62 2.326 -2.126 0.184 446 HA VAL 62 HA VAL 62 -0.257 -1.117 1.067 447 HB VAL 62 HB VAL 62 1.096 0.446 -0.154 448 HG11 VAL 62 1HG1 VAL 62 1.702 -1.856 -1.771 449 HG12 VAL 62 2HG1 VAL 62 1.185 -0.504 -2.780 450 HG13 VAL 62 3HG1 VAL 62 2.539 -0.307 -1.667 451 HG21 VAL 62 3HG2 VAL 62 -1.302 -0.593 -1.629 452 HG22 VAL 62 1HG2 VAL 62 -1.170 0.826 -0.590 453 HG23 VAL 62 2HG2 VAL 62 -0.420 0.828 -2.186 454 H LEU 63 H LEU 63 -2.035 -2.284 0.813 455 HA LEU 63 HA LEU 63 -2.098 -4.573 -0.928 456 HB2 LEU 63 1HB LEU 63 -4.317 -3.326 0.687 457 HB3 LEU 63 2HB LEU 63 -4.339 -4.924 -0.057 458 HG LEU 63 HG LEU 63 -2.219 -4.318 1.947 459 HD11 LEU 63 1HD1 LEU 63 -4.677 -3.633 2.683 460 HD12 LEU 63 2HD1 LEU 63 -3.551 -4.428 3.782 461 HD13 LEU 63 3HD1 LEU 63 -4.796 -5.370 2.963 462 HD21 LEU 63 3HD2 LEU 63 -3.076 -6.552 0.502 463 HD22 LEU 63 1HD2 LEU 63 -3.600 -6.833 2.162 464 HD23 LEU 63 2HD2 LEU 63 -1.900 -6.512 1.817 465 H ARG 64 H ARG 64 -4.172 -1.677 -0.670 466 HA ARG 64 HA ARG 64 -4.609 -1.863 -3.579 467 HB2 ARG 64 1HB ARG 64 -6.535 -0.991 -1.421 468 HB3 ARG 64 2HB ARG 64 -6.831 -0.789 -3.142 469 HG2 ARG 64 1HG ARG 64 -6.338 -3.388 -3.160 470 HG3 ARG 64 2HG ARG 64 -6.865 -3.244 -1.482 471 HD2 ARG 64 1HD ARG 64 -8.851 -1.910 -2.505 472 HD3 ARG 64 2HD ARG 64 -8.387 -2.718 -4.002 473 HE ARG 64 HE ARG 64 -8.715 -4.495 -1.761 474 HH11 ARG 64 1HH1 ARG 64 -10.301 -2.876 -4.404 475 HH12 ARG 64 2HH1 ARG 64 -11.602 -4.017 -4.494 476 HH21 ARG 64 1HH2 ARG 64 -10.423 -6.004 -1.869 477 HH22 ARG 64 2HH2 ARG 64 -11.671 -5.795 -3.051 478 H ILE 65 H ILE 65 -4.331 -0.052 -4.775 479 HA ILE 65 HA ILE 65 -3.446 2.356 -3.333 480 HB ILE 65 HB ILE 65 -1.897 1.099 -4.999 481 HG12 ILE 65 1HG1 ILE 65 -1.227 3.187 -4.046 482 HG13 ILE 65 2HG1 ILE 65 -0.969 3.314 -5.783 483 HG21 ILE 65 1HG2 ILE 65 -2.119 1.652 -7.301 484 HG22 ILE 65 2HG2 ILE 65 -3.677 1.025 -6.766 485 HG23 ILE 65 3HG2 ILE 65 -3.449 2.762 -6.971 486 HD11 ILE 65 3HD1 ILE 65 -3.346 4.375 -5.770 487 HD12 ILE 65 1HD1 ILE 65 -2.995 4.655 -4.065 488 HD13 ILE 65 2HD1 ILE 65 -1.940 5.332 -5.305 489 H ASN 66 H ASN 66 -4.740 4.063 -3.379 490 HA ASN 66 HA ASN 66 -6.523 5.399 -3.880 491 HB2 ASN 66 1HB ASN 66 -4.744 5.806 -5.735 492 HB3 ASN 66 2HB ASN 66 -5.875 4.950 -6.779 493 HD21 ASN 66 1HD2 ASN 66 -5.574 7.690 -4.586 494 HD22 ASN 66 2HD2 ASN 66 -6.777 8.666 -5.352 495 H GLY 67 H GLY 67 -6.991 2.455 -3.817 496 HA2 GLY 67 1HA GLY 67 -9.068 1.356 -3.871 497 HA3 GLY 67 2HA GLY 67 -9.641 2.541 -5.034 498 H VAL 68 H VAL 68 -6.702 0.574 -5.184 499 HA VAL 68 HA VAL 68 -7.856 -1.115 -7.250 500 HB VAL 68 HB VAL 68 -5.479 0.665 -7.809 501 HG11 VAL 68 1HG1 VAL 68 -4.834 -0.746 -9.400 502 HG12 VAL 68 2HG1 VAL 68 -6.007 -1.909 -8.779 503 HG13 VAL 68 3HG1 VAL 68 -6.461 -0.803 -10.076 504 HG21 VAL 68 3HG2 VAL 68 -7.596 1.834 -8.028 505 HG22 VAL 68 1HG2 VAL 68 -6.887 1.556 -9.618 506 HG23 VAL 68 2HG2 VAL 68 -8.223 0.549 -9.060 507 H PHE 69 H PHE 69 -7.279 -3.104 -6.710 508 HA PHE 69 HA PHE 69 -5.304 -3.766 -4.852 509 HB2 PHE 69 1HB PHE 69 -7.306 -5.158 -5.777 510 HB3 PHE 69 2HB PHE 69 -6.150 -5.696 -6.990 511 HD1 PHE 69 2HD PHE 69 -6.656 -5.463 -3.318 512 HD2 PHE 69 1HD PHE 69 -4.711 -7.457 -6.536 513 HE1 PHE 69 2HE PHE 69 -5.809 -7.159 -1.750 514 HE2 PHE 69 1HE PHE 69 -3.861 -9.157 -4.973 515 HZ PHE 69 HZ PHE 69 -4.409 -9.009 -2.576 516 H VAL 70 H VAL 70 -3.209 -3.335 -5.094 517 HA VAL 70 HA VAL 70 -1.945 -3.964 -7.683 518 HB VAL 70 HB VAL 70 -0.202 -2.311 -7.100 519 HG11 VAL 70 1HG1 VAL 70 -1.392 -0.470 -7.849 520 HG12 VAL 70 2HG1 VAL 70 -2.406 -1.816 -8.371 521 HG13 VAL 70 3HG1 VAL 70 -2.833 -0.898 -6.927 522 HG21 VAL 70 3HG2 VAL 70 -0.195 -2.178 -4.771 523 HG22 VAL 70 1HG2 VAL 70 -0.905 -0.643 -5.270 524 HG23 VAL 70 2HG2 VAL 70 -1.940 -1.944 -4.684 525 H ASP 71 H ASP 71 -2.295 -6.014 -5.905 526 HA ASP 71 HA ASP 71 0.030 -6.331 -4.236 527 HB2 ASP 71 1HB ASP 71 -2.279 -7.336 -3.808 528 HB3 ASP 71 2HB ASP 71 -1.885 -8.510 -5.061 529 H LYS 72 H LYS 72 -1.106 -7.644 -7.323 530 HA LYS 72 HA LYS 72 1.480 -8.972 -7.702 531 HB2 LYS 72 1HB LYS 72 -1.239 -9.303 -8.899 532 HB3 LYS 72 2HB LYS 72 0.164 -9.793 -9.840 533 HG2 LYS 72 1HG LYS 72 -0.325 -10.766 -7.042 534 HG3 LYS 72 2HG LYS 72 -0.959 -11.589 -8.468 535 HD2 LYS 72 1HD LYS 72 1.296 -11.889 -9.325 536 HD3 LYS 72 2HD LYS 72 1.956 -10.998 -7.951 537 HE2 LYS 72 1HE LYS 72 2.262 -13.181 -7.279 538 HE3 LYS 72 2HE LYS 72 0.707 -12.800 -6.541 539 HZ1 LYS 72 3HZ LYS 72 -0.144 -13.737 -8.840 540 HZ2 LYS 72 1HZ LYS 72 0.185 -14.756 -7.530 541 HZ3 LYS 72 2HZ LYS 72 1.319 -14.582 -8.772 542 H GLU 73 H GLU 73 -0.399 -6.285 -8.779 543 HA GLU 73 HA GLU 73 0.568 -5.791 -11.311 544 HB2 GLU 73 1HB GLU 73 -0.112 -3.858 -9.095 545 HB3 GLU 73 2HB GLU 73 0.248 -3.349 -10.738 546 HG2 GLU 73 1HG GLU 73 -1.900 -5.355 -10.185 547 HG3 GLU 73 2HG GLU 73 -2.205 -3.625 -10.038 548 H GLU 74 H GLU 74 2.164 -4.125 -11.992 549 HA GLU 74 HA GLU 74 4.659 -4.522 -10.513 550 HB2 GLU 74 1HB GLU 74 4.507 -5.101 -12.956 551 HB3 GLU 74 2HB GLU 74 4.299 -3.387 -13.288 552 HG2 GLU 74 1HG GLU 74 6.495 -2.993 -12.154 553 HG3 GLU 74 2HG GLU 74 6.704 -4.743 -12.101 554 H HIS 75 H HIS 75 6.091 -2.775 -10.101 555 HA HIS 75 HA HIS 75 5.066 -0.572 -8.875 556 HB2 HIS 75 1HB HIS 75 7.363 -1.053 -8.548 557 HB3 HIS 75 2HB HIS 75 7.712 -0.946 -10.271 558 HD1 HIS 75 1HD HIS 75 7.570 1.054 -7.194 559 HD2 HIS 75 2HD HIS 75 7.727 1.753 -11.287 560 HE1 HIS 75 1HE HIS 75 8.222 3.471 -7.439 561 HE2 HIS 75 2HE HIS 75 8.228 3.893 -9.922 562 H ALA 76 H ALA 76 6.396 -0.561 -12.187 563 HA ALA 76 HA ALA 76 5.855 2.010 -12.929 564 HB1 ALA 76 3HB ALA 76 7.010 0.748 -14.499 565 HB2 ALA 76 1HB ALA 76 5.812 -0.547 -14.486 566 HB3 ALA 76 2HB ALA 76 5.440 0.991 -15.265 567 H GLN 77 H GLN 77 3.585 -0.675 -12.731 568 HA GLN 77 HA GLN 77 1.414 0.735 -13.939 569 HB2 GLN 77 1HB GLN 77 1.531 -1.778 -12.270 570 HB3 GLN 77 2HB GLN 77 0.042 -1.149 -12.962 571 HG2 GLN 77 1HG GLN 77 1.385 -1.223 -15.196 572 HG3 GLN 77 2HG GLN 77 2.392 -2.374 -14.319 573 HE21 GLN 77 1HE2 GLN 77 -1.022 -1.683 -14.984 574 HE22 GLN 77 2HE2 GLN 77 -1.499 -3.333 -15.164 575 H VAL 78 H VAL 78 2.540 0.225 -10.649 576 HA VAL 78 HA VAL 78 0.235 1.336 -9.384 577 HB VAL 78 HB VAL 78 3.027 1.044 -8.268 578 HG11 VAL 78 1HG1 VAL 78 0.444 1.916 -7.147 579 HG12 VAL 78 2HG1 VAL 78 1.365 0.776 -6.164 580 HG13 VAL 78 3HG1 VAL 78 2.090 2.309 -6.650 581 HG21 VAL 78 3HG2 VAL 78 2.216 -1.100 -9.042 582 HG22 VAL 78 1HG2 VAL 78 2.177 -1.053 -7.279 583 HG23 VAL 78 2HG2 VAL 78 0.685 -0.858 -8.201 584 H VAL 79 H VAL 79 3.559 2.583 -9.760 585 HA VAL 79 HA VAL 79 3.319 5.079 -8.731 586 HB VAL 79 HB VAL 79 5.414 4.256 -9.669 587 HG11 VAL 79 1HG1 VAL 79 4.116 4.724 -12.351 588 HG12 VAL 79 2HG1 VAL 79 5.814 4.320 -12.093 589 HG13 VAL 79 3HG1 VAL 79 4.555 3.163 -11.660 590 HG21 VAL 79 3HG2 VAL 79 4.416 6.872 -10.774 591 HG22 VAL 79 1HG2 VAL 79 5.355 6.597 -9.307 592 HG23 VAL 79 2HG2 VAL 79 6.099 6.359 -10.888 593 H GLU 80 H GLU 80 2.269 4.058 -11.956 594 HA GLU 80 HA GLU 80 1.526 6.550 -12.962 595 HB2 GLU 80 1HB GLU 80 1.637 4.656 -14.429 596 HB3 GLU 80 2HB GLU 80 0.415 3.796 -13.502 597 HG2 GLU 80 1HG GLU 80 -1.313 5.099 -14.322 598 HG3 GLU 80 2HG GLU 80 -0.234 6.409 -14.796 599 H LEU 81 H LEU 81 -0.368 4.192 -11.107 600 HA LEU 81 HA LEU 81 -2.783 5.658 -11.135 601 HB2 LEU 81 1HB LEU 81 -1.779 3.607 -9.168 602 HB3 LEU 81 2HB LEU 81 -3.436 4.202 -9.251 603 HG LEU 81 HG LEU 81 -2.206 2.910 -11.650 604 HD11 LEU 81 1HD1 LEU 81 -2.546 0.762 -10.914 605 HD12 LEU 81 2HD1 LEU 81 -3.677 1.254 -9.654 606 HD13 LEU 81 3HD1 LEU 81 -1.949 1.531 -9.444 607 HD21 LEU 81 3HD2 LEU 81 -4.793 2.101 -11.440 608 HD22 LEU 81 1HD2 LEU 81 -4.253 3.521 -12.337 609 HD23 LEU 81 2HD2 LEU 81 -4.865 3.697 -10.691 610 H VAL 82 H VAL 82 -0.040 5.593 -8.920 611 HA VAL 82 HA VAL 82 -1.192 7.196 -6.896 612 HB VAL 82 HB VAL 82 1.742 6.951 -7.572 613 HG11 VAL 82 1HG1 VAL 82 0.390 8.503 -5.660 614 HG12 VAL 82 2HG1 VAL 82 1.124 7.161 -4.780 615 HG13 VAL 82 3HG1 VAL 82 2.125 8.212 -5.784 616 HG21 VAL 82 3HG2 VAL 82 -0.158 5.037 -6.434 617 HG22 VAL 82 1HG2 VAL 82 1.433 4.772 -7.146 618 HG23 VAL 82 2HG2 VAL 82 1.294 5.276 -5.462 619 H ARG 83 H ARG 83 0.354 7.938 -9.926 620 HA ARG 83 HA ARG 83 0.824 10.705 -9.337 621 HB2 ARG 83 1HB ARG 83 2.249 9.796 -10.975 622 HB3 ARG 83 2HB ARG 83 0.916 9.048 -11.844 623 HG2 ARG 83 1HG ARG 83 0.333 10.988 -12.905 624 HG3 ARG 83 2HG ARG 83 0.984 12.012 -11.624 625 HD2 ARG 83 1HD ARG 83 2.854 10.317 -13.208 626 HD3 ARG 83 2HD ARG 83 2.209 11.785 -13.941 627 HE ARG 83 HE ARG 83 4.184 11.614 -11.879 628 HH11 ARG 83 1HH1 ARG 83 1.633 13.587 -13.190 629 HH12 ARG 83 2HH1 ARG 83 2.288 15.070 -12.578 630 HH21 ARG 83 1HH2 ARG 83 5.056 13.559 -11.068 631 HH22 ARG 83 2HH2 ARG 83 4.235 15.053 -11.372 632 H LYS 84 H LYS 84 -1.414 9.080 -11.595 633 HA LYS 84 HA LYS 84 -2.917 11.295 -12.303 634 HB2 LYS 84 1HB LYS 84 -4.551 9.792 -13.122 635 HB3 LYS 84 2HB LYS 84 -3.013 8.955 -13.287 636 HG2 LYS 84 1HG LYS 84 -3.477 7.685 -11.258 637 HG3 LYS 84 2HG LYS 84 -5.013 8.535 -11.073 638 HD2 LYS 84 1HD LYS 84 -4.472 7.154 -13.652 639 HD3 LYS 84 2HD LYS 84 -4.864 6.165 -12.243 640 HE2 LYS 84 1HE LYS 84 -6.990 7.047 -12.053 641 HE3 LYS 84 2HE LYS 84 -6.562 8.531 -12.903 642 HZ1 LYS 84 3HZ LYS 84 -7.817 7.396 -14.448 643 HZ2 LYS 84 1HZ LYS 84 -7.201 5.880 -14.016 644 HZ3 LYS 84 2HZ LYS 84 -6.247 6.959 -14.902 645 H SER 85 H SER 85 -3.129 9.271 -9.448 646 HA SER 85 HA SER 85 -5.559 9.771 -8.390 647 HB2 SER 85 1HB SER 85 -2.853 9.661 -7.093 648 HB3 SER 85 2HB SER 85 -4.287 9.986 -6.119 649 HG SER 85 HG SER 85 -4.123 7.819 -6.103 650 H GLY 86 H GLY 86 -2.790 12.001 -8.184 651 HA2 GLY 86 1HA GLY 86 -3.255 14.378 -8.588 652 HA3 GLY 86 2HA GLY 86 -4.727 14.167 -7.651 653 H ASN 87 H ASN 87 -4.186 15.808 -6.201 654 HA ASN 87 HA ASN 87 -1.716 15.889 -4.802 655 HB2 ASN 87 1HB ASN 87 -4.361 17.115 -3.992 656 HB3 ASN 87 2HB ASN 87 -2.765 17.586 -3.414 657 HD21 ASN 87 1HD2 ASN 87 -1.213 18.015 -5.371 658 HD22 ASN 87 2HD2 ASN 87 -1.855 19.095 -6.558 659 H SER 88 H SER 88 -4.920 14.605 -4.022 660 HA SER 88 HA SER 88 -3.854 13.488 -1.528 661 HB2 SER 88 1HB SER 88 -6.168 13.131 -0.873 662 HB3 SER 88 2HB SER 88 -5.968 14.796 -1.418 663 HG SER 88 HG SER 88 -6.716 12.906 -3.323 664 H VAL 89 H VAL 89 -3.403 11.392 -1.342 665 HA VAL 89 HA VAL 89 -4.563 9.516 -3.292 666 HB VAL 89 HB VAL 89 -1.704 9.437 -2.320 667 HG11 VAL 89 1HG1 VAL 89 -1.461 7.695 -4.066 668 HG12 VAL 89 2HG1 VAL 89 -2.564 7.230 -2.769 669 HG13 VAL 89 3HG1 VAL 89 -3.204 7.757 -4.326 670 HG21 VAL 89 3HG2 VAL 89 -2.967 10.621 -4.735 671 HG22 VAL 89 1HG2 VAL 89 -1.567 11.162 -3.807 672 HG23 VAL 89 2HG2 VAL 89 -1.414 9.807 -4.927 673 H THR 90 H THR 90 -5.376 7.693 -2.449 674 HA THR 90 HA THR 90 -5.091 7.289 0.440 675 HB THR 90 HB THR 90 -7.072 5.967 -1.419 676 HG1 THR 90 1HG THR 90 -7.632 8.091 -1.451 677 HG21 THR 90 3HG2 THR 90 -8.075 5.073 0.432 678 HG22 THR 90 1HG2 THR 90 -7.535 6.376 1.490 679 HG23 THR 90 2HG2 THR 90 -6.407 5.110 1.005 680 H LEU 91 H LEU 91 -4.348 5.405 1.326 681 HA LEU 91 HA LEU 91 -3.627 3.197 -0.448 682 HB2 LEU 91 1HB LEU 91 -1.665 4.394 1.498 683 HB3 LEU 91 2HB LEU 91 -1.379 3.062 0.380 684 HG LEU 91 HG LEU 91 -2.021 5.847 -0.561 685 HD11 LEU 91 1HD1 LEU 91 -0.000 6.553 0.002 686 HD12 LEU 91 2HD1 LEU 91 0.728 5.226 -0.902 687 HD13 LEU 91 3HD1 LEU 91 0.321 5.013 0.800 688 HD21 LEU 91 3HD2 LEU 91 -0.585 3.570 -1.917 689 HD22 LEU 91 1HD2 LEU 91 -1.090 5.099 -2.637 690 HD23 LEU 91 2HD2 LEU 91 -2.301 3.925 -2.120 691 H LEU 92 H LEU 92 -3.372 1.190 0.608 692 HA LEU 92 HA LEU 92 -4.395 1.145 3.371 693 HB2 LEU 92 1HB LEU 92 -4.973 -0.598 1.012 694 HB3 LEU 92 2HB LEU 92 -5.135 -1.241 2.645 695 HG LEU 92 HG LEU 92 -6.598 1.210 1.684 696 HD11 LEU 92 1HD1 LEU 92 -8.347 -0.037 0.937 697 HD12 LEU 92 2HD1 LEU 92 -7.980 -1.396 1.999 698 HD13 LEU 92 3HD1 LEU 92 -7.030 -1.139 0.536 699 HD21 LEU 92 3HD2 LEU 92 -7.356 1.358 3.766 700 HD22 LEU 92 1HD2 LEU 92 -6.200 0.107 4.225 701 HD23 LEU 92 2HD2 LEU 92 -7.843 -0.338 3.763 702 H VAL 93 H VAL 93 -2.769 0.689 4.703 703 HA VAL 93 HA VAL 93 -0.770 -1.303 3.859 704 HB VAL 93 HB VAL 93 0.752 -0.332 5.485 705 HG11 VAL 93 1HG1 VAL 93 0.358 0.657 3.128 706 HG12 VAL 93 2HG1 VAL 93 -0.360 2.015 3.996 707 HG13 VAL 93 3HG1 VAL 93 1.322 1.571 4.287 708 HG21 VAL 93 3HG2 VAL 93 -1.676 1.184 6.287 709 HG22 VAL 93 1HG2 VAL 93 -0.405 0.473 7.281 710 HG23 VAL 93 2HG2 VAL 93 -0.112 1.987 6.425 711 H LEU 94 H LEU 94 -0.321 -3.050 5.135 712 HA LEU 94 HA LEU 94 -2.143 -3.485 7.405 713 HB2 LEU 94 1HB LEU 94 -2.230 -5.002 5.365 714 HB3 LEU 94 2HB LEU 94 -0.661 -5.613 5.885 715 HG LEU 94 HG LEU 94 -1.711 -6.329 8.022 716 HD11 LEU 94 1HD1 LEU 94 -3.585 -4.752 8.013 717 HD12 LEU 94 2HD1 LEU 94 -4.132 -6.419 8.183 718 HD13 LEU 94 3HD1 LEU 94 -4.283 -5.596 6.631 719 HD21 LEU 94 3HD2 LEU 94 -3.335 -7.628 5.916 720 HD22 LEU 94 1HD2 LEU 94 -2.300 -8.339 7.154 721 HD23 LEU 94 2HD2 LEU 94 -1.584 -7.640 5.702 722 H ASP 95 H ASP 95 -1.301 -4.801 9.193 723 HA ASP 95 HA ASP 95 1.186 -3.785 10.124 724 HB2 ASP 95 1HB ASP 95 -0.563 -5.990 11.235 725 HB3 ASP 95 2HB ASP 95 0.793 -5.251 12.082 726 H GLY 96 H GLY 96 3.167 -4.744 10.315 727 HA2 GLY 96 1HA GLY 96 4.087 -6.500 8.429 728 HA3 GLY 96 2HA GLY 96 4.853 -6.282 9.996 729 H ASP 97 H ASP 97 3.887 -7.561 11.812 730 HA ASP 97 HA ASP 97 4.094 -10.240 11.452 731 HB2 ASP 97 1HB ASP 97 2.427 -8.698 13.435 732 HB3 ASP 97 2HB ASP 97 2.564 -10.453 13.498 733 H SER 98 H SER 98 1.121 -8.336 11.166 734 HA SER 98 HA SER 98 -0.679 -10.431 10.784 735 HB2 SER 98 1HB SER 98 -0.686 -7.584 9.779 736 HB3 SER 98 2HB SER 98 -2.035 -8.688 9.513 737 HG SER 98 HG SER 98 -2.618 -8.425 11.513 738 H TYR 99 H TYR 99 0.845 -8.413 8.265 739 HA TYR 99 HA TYR 99 -0.051 -9.792 6.049 740 HB2 TYR 99 1HB TYR 99 1.305 -7.608 6.182 741 HB3 TYR 99 2HB TYR 99 2.729 -8.642 6.188 742 HD1 TYR 99 2HD TYR 99 3.108 -10.189 4.224 743 HD2 TYR 99 1HD TYR 99 0.188 -7.095 4.171 744 HE1 TYR 99 2HE TYR 99 3.043 -10.300 1.768 745 HE2 TYR 99 1HE TYR 99 0.114 -7.198 1.715 746 HH TYR 99 HH TYR 99 2.339 -8.433 -0.141 747 H GLU 100 H GLU 100 3.127 -10.222 7.620 748 HA GLU 100 HA GLU 100 4.085 -12.337 6.181 749 HB2 GLU 100 1HB GLU 100 4.336 -11.930 9.166 750 HB3 GLU 100 2HB GLU 100 5.356 -12.986 8.199 751 HG2 GLU 100 1HG GLU 100 5.866 -10.844 6.841 752 HG3 GLU 100 2HG GLU 100 5.252 -10.003 8.263 753 H LYS 101 H LYS 101 2.003 -12.540 9.058 754 HA LYS 101 HA LYS 101 1.803 -15.327 9.163 755 HB2 LYS 101 1HB LYS 101 1.085 -13.976 11.025 756 HB3 LYS 101 2HB LYS 101 -0.138 -13.184 10.039 757 HG2 LYS 101 1HG LYS 101 -1.301 -15.348 9.804 758 HG3 LYS 101 2HG LYS 101 -0.107 -16.075 10.882 759 HD2 LYS 101 1HD LYS 101 -1.777 -13.697 11.665 760 HD3 LYS 101 2HD LYS 101 -2.295 -15.361 11.945 761 HE2 LYS 101 1HE LYS 101 0.419 -14.560 12.859 762 HE3 LYS 101 2HE LYS 101 -0.970 -13.978 13.775 763 HZ1 LYS 101 3HZ LYS 101 -1.481 -16.048 14.495 764 HZ2 LYS 101 1HZ LYS 101 0.179 -16.288 14.276 765 HZ3 LYS 101 2HZ LYS 101 -0.914 -16.816 13.099 766 H ALA 102 H ALA 102 -0.652 -13.058 7.908 767 HA ALA 102 HA ALA 102 -2.420 -14.809 6.807 768 HB1 ALA 102 3HB ALA 102 -1.796 -12.037 6.472 769 HB2 ALA 102 1HB ALA 102 -2.191 -12.747 4.906 770 HB3 ALA 102 2HB ALA 102 -3.335 -12.868 6.243 771 H VAL 103 H VAL 103 0.267 -13.337 4.969 772 HA VAL 103 HA VAL 103 0.060 -14.646 2.602 773 HB VAL 103 HB VAL 103 2.627 -14.085 4.094 774 HG11 VAL 103 1HG1 VAL 103 3.774 -14.261 2.006 775 HG12 VAL 103 2HG1 VAL 103 2.841 -15.741 2.231 776 HG13 VAL 103 3HG1 VAL 103 2.261 -14.491 1.131 777 HG21 VAL 103 3HG2 VAL 103 2.637 -11.976 3.134 778 HG22 VAL 103 1HG2 VAL 103 1.503 -12.437 1.864 779 HG23 VAL 103 2HG2 VAL 103 0.931 -12.206 3.516 780 H LYS 104 H LYS 104 1.685 -15.897 5.505 781 HA LYS 104 HA LYS 104 2.606 -18.304 4.465 782 HB2 LYS 104 1HB LYS 104 2.861 -17.157 6.841 783 HB3 LYS 104 2HB LYS 104 1.540 -18.243 7.252 784 HG2 LYS 104 1HG LYS 104 3.291 -19.577 7.794 785 HG3 LYS 104 2HG LYS 104 3.122 -20.019 6.093 786 HD2 LYS 104 1HD LYS 104 4.907 -17.751 6.882 787 HD3 LYS 104 2HD LYS 104 5.470 -19.416 7.047 788 HE2 LYS 104 1HE LYS 104 4.817 -19.745 4.631 789 HE3 LYS 104 2HE LYS 104 4.585 -17.999 4.542 790 HZ1 LYS 104 3HZ LYS 104 7.062 -19.535 4.784 791 HZ2 LYS 104 1HZ LYS 104 7.000 -18.025 5.543 792 HZ3 LYS 104 2HZ LYS 104 6.738 -18.145 3.877 793 H ASN 105 H ASN 105 -0.472 -17.662 6.143 794 HA ASN 105 HA ASN 105 -1.460 -20.301 5.462 795 HB2 ASN 105 1HB ASN 105 -2.972 -18.039 6.779 796 HB3 ASN 105 2HB ASN 105 -3.377 -19.753 6.803 797 HD21 ASN 105 1HD2 ASN 105 -1.816 -17.251 8.394 798 HD22 ASN 105 2HD2 ASN 105 -0.965 -18.186 9.571 799 H GLN 106 H GLN 106 -0.892 -18.108 3.434 800 HA GLN 106 HA GLN 106 -1.932 -17.030 1.673 801 HB2 GLN 106 1HB GLN 106 -2.916 -19.879 1.567 802 HB3 GLN 106 2HB GLN 106 -3.183 -18.731 0.263 803 HG2 GLN 106 1HG GLN 106 -0.760 -18.449 0.028 804 HG3 GLN 106 2HG GLN 106 -0.510 -19.632 1.311 805 HE21 GLN 106 1HE2 GLN 106 0.694 -20.885 -0.181 806 HE22 GLN 106 2HE2 GLN 106 -0.102 -21.864 -1.360 807 H VAL 107 H VAL 107 -3.276 -16.206 3.856 808 HA VAL 107 HA VAL 107 -6.085 -16.765 3.702 809 HB VAL 107 HB VAL 107 -4.638 -14.544 5.151 810 HG11 VAL 107 1HG1 VAL 107 -7.455 -15.571 5.488 811 HG12 VAL 107 2HG1 VAL 107 -6.680 -14.320 6.462 812 HG13 VAL 107 3HG1 VAL 107 -7.000 -14.034 4.751 813 HG21 VAL 107 3HG2 VAL 107 -5.128 -17.382 5.762 814 HG22 VAL 107 1HG2 VAL 107 -3.873 -16.291 6.351 815 HG23 VAL 107 2HG2 VAL 107 -5.484 -16.252 7.069 816 H ASP 108 H ASP 108 -7.521 -15.876 2.380 817 HA ASP 108 HA ASP 108 -7.061 -14.306 0.236 818 HB2 ASP 108 1HB ASP 108 -9.489 -13.454 0.589 819 HB3 ASP 108 2HB ASP 108 -9.220 -15.179 0.359 820 H LEU 109 H LEU 109 -6.120 -12.398 0.006 821 HA LEU 109 HA LEU 109 -6.251 -10.450 2.181 822 HB2 LEU 109 1HB LEU 109 -4.545 -10.620 -0.294 823 HB3 LEU 109 2HB LEU 109 -4.513 -9.254 0.819 824 HG LEU 109 HG LEU 109 -3.811 -12.091 1.567 825 HD11 LEU 109 1HD1 LEU 109 -1.738 -10.006 1.515 826 HD12 LEU 109 2HD1 LEU 109 -2.325 -10.535 -0.060 827 HD13 LEU 109 3HD1 LEU 109 -1.652 -11.710 1.070 828 HD21 LEU 109 3HD2 LEU 109 -3.377 -9.507 3.058 829 HD22 LEU 109 1HD2 LEU 109 -2.985 -11.134 3.614 830 HD23 LEU 109 2HD2 LEU 109 -4.670 -10.659 3.397 831 H LYS 110 H LYS 110 -7.096 -10.839 -1.212 832 HA LYS 110 HA LYS 110 -7.742 -8.319 -2.008 833 HB2 LYS 110 1HB LYS 110 -8.923 -10.995 -2.569 834 HB3 LYS 110 2HB LYS 110 -9.810 -9.579 -3.119 835 HG2 LYS 110 1HG LYS 110 -6.905 -9.882 -3.754 836 HG3 LYS 110 2HG LYS 110 -8.128 -10.721 -4.711 837 HD2 LYS 110 1HD LYS 110 -8.482 -7.811 -4.179 838 HD3 LYS 110 2HD LYS 110 -7.281 -8.311 -5.373 839 HE2 LYS 110 1HE LYS 110 -10.186 -9.127 -5.382 840 HE3 LYS 110 2HE LYS 110 -9.494 -7.839 -6.367 841 HZ1 LYS 110 3HZ LYS 110 -8.007 -10.222 -6.691 842 HZ2 LYS 110 1HZ LYS 110 -8.838 -9.320 -7.856 843 HZ3 LYS 110 2HZ LYS 110 -9.644 -10.528 -6.990 844 H GLU 111 H GLU 111 -9.487 -10.324 0.272 845 HA GLU 111 HA GLU 111 -11.867 -8.805 0.373 846 HB2 GLU 111 1HB GLU 111 -10.601 -10.560 2.486 847 HB3 GLU 111 2HB GLU 111 -12.247 -9.944 2.539 848 HG2 GLU 111 1HG GLU 111 -12.817 -11.197 0.552 849 HG3 GLU 111 2HG GLU 111 -11.153 -11.758 0.402 850 H LEU 112 H LEU 112 -8.848 -8.647 2.206 851 HA LEU 112 HA LEU 112 -9.399 -6.949 4.234 852 HB2 LEU 112 1HB LEU 112 -7.030 -6.603 2.404 853 HB3 LEU 112 2HB LEU 112 -7.143 -6.119 4.095 854 HG LEU 112 HG LEU 112 -7.231 -8.981 3.147 855 HD11 LEU 112 1HD1 LEU 112 -4.963 -7.185 3.833 856 HD12 LEU 112 2HD1 LEU 112 -5.064 -8.477 2.638 857 HD13 LEU 112 3HD1 LEU 112 -4.890 -8.871 4.348 858 HD21 LEU 112 3HD2 LEU 112 -7.109 -7.660 5.843 859 HD22 LEU 112 1HD2 LEU 112 -6.609 -9.332 5.592 860 HD23 LEU 112 2HD2 LEU 112 -8.270 -8.848 5.249 861 H ASP 113 H ASP 113 -10.934 -5.400 3.994 862 HA ASP 113 HA ASP 113 -10.160 -3.007 2.557 863 HB2 ASP 113 1HB ASP 113 -12.178 -2.819 1.249 864 HB3 ASP 113 2HB ASP 113 -11.419 -4.365 0.882 865 H GLN 114 H GLN 114 -10.289 -1.572 4.154 866 HA GLN 114 HA GLN 114 -11.697 -1.726 6.496 867 HB2 GLN 114 1HB GLN 114 -9.972 -0.044 6.078 868 HB3 GLN 114 2HB GLN 114 -11.030 0.778 4.939 869 HG2 GLN 114 1HG GLN 114 -11.125 2.010 6.939 870 HG3 GLN 114 2HG GLN 114 -12.638 1.111 6.842 871 HE21 GLN 114 1HE2 GLN 114 -13.188 -0.178 8.479 872 HE22 GLN 114 2HE2 GLN 114 -12.177 -0.561 9.826 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -25.946 -15.548 25.494 2 HA2 GLY 1 1HA GLY 1 -23.447 -14.376 24.576 3 HA3 GLY 1 2HA GLY 1 -23.996 -16.020 24.289 4 H SER 2 H SER 2 -24.964 -16.514 22.396 5 HA SER 2 HA SER 2 -25.480 -16.294 20.185 6 HB2 SER 2 1HB SER 2 -26.889 -13.847 21.275 7 HB3 SER 2 2HB SER 2 -27.157 -14.524 19.669 8 HG SER 2 HG SER 2 -28.429 -15.188 21.799 9 H SER 3 H SER 3 -22.937 -15.375 20.777 10 HA SER 3 HA SER 3 -22.665 -12.963 19.110 11 HB2 SER 3 1HB SER 3 -20.438 -12.696 20.151 12 HB3 SER 3 2HB SER 3 -21.727 -12.706 21.354 13 HG SER 3 HG SER 3 -21.228 -14.939 21.702 14 H GLY 4 H GLY 4 -21.041 -12.902 17.494 15 HA2 GLY 4 1HA GLY 4 -19.621 -15.342 16.829 16 HA3 GLY 4 2HA GLY 4 -20.893 -14.897 15.700 17 H SER 5 H SER 5 -17.657 -14.595 16.396 18 HA SER 5 HA SER 5 -17.322 -11.980 15.164 19 HB2 SER 5 1HB SER 5 -15.279 -13.949 16.221 20 HB3 SER 5 2HB SER 5 -14.914 -12.331 15.624 21 HG SER 5 HG SER 5 -15.329 -11.689 17.571 22 H SER 6 H SER 6 -16.507 -15.367 14.506 23 HA SER 6 HA SER 6 -15.357 -14.764 11.941 24 HB2 SER 6 1HB SER 6 -14.734 -16.730 13.454 25 HB3 SER 6 2HB SER 6 -16.224 -17.492 12.899 26 HG SER 6 HG SER 6 -14.118 -16.585 11.223 27 H GLY 7 H GLY 7 -16.802 -13.869 10.551 28 HA2 GLY 7 1HA GLY 7 -19.499 -14.834 10.305 29 HA3 GLY 7 2HA GLY 7 -18.727 -13.622 9.293 30 H MET 8 H MET 8 -17.583 -14.268 7.445 31 HA MET 8 HA MET 8 -18.173 -17.022 6.583 32 HB2 MET 8 1HB MET 8 -19.221 -14.972 5.379 33 HB3 MET 8 2HB MET 8 -17.618 -14.764 4.684 34 HG2 MET 8 1HG MET 8 -17.821 -17.212 3.967 35 HG3 MET 8 2HG MET 8 -19.537 -17.032 4.325 36 HE1 MET 8 3HE MET 8 -16.735 -14.881 2.877 37 HE2 MET 8 1HE MET 8 -16.677 -16.130 1.632 38 HE3 MET 8 2HE MET 8 -17.254 -14.512 1.231 39 H ALA 9 H ALA 9 -15.870 -14.400 5.826 40 HA ALA 9 HA ALA 9 -13.716 -16.407 5.879 41 HB1 ALA 9 3HB ALA 9 -14.148 -15.960 3.566 42 HB2 ALA 9 1HB ALA 9 -14.113 -14.219 3.846 43 HB3 ALA 9 2HB ALA 9 -12.635 -15.168 4.009 44 H SER 10 H SER 10 -11.880 -15.827 6.918 45 HA SER 10 HA SER 10 -11.856 -13.853 8.831 46 HB2 SER 10 1HB SER 10 -9.680 -15.377 7.446 47 HB3 SER 10 2HB SER 10 -9.249 -14.073 8.553 48 HG SER 10 HG SER 10 -10.373 -16.554 9.074 49 H THR 11 H THR 11 -10.534 -11.901 9.005 50 HA THR 11 HA THR 11 -9.649 -10.573 6.619 51 HB THR 11 HB THR 11 -12.074 -10.204 6.418 52 HG1 THR 11 1HG THR 11 -10.935 -7.742 7.225 53 HG21 THR 11 3HG2 THR 11 -12.359 -8.319 8.589 54 HG22 THR 11 1HG2 THR 11 -11.981 -9.931 9.195 55 HG23 THR 11 2HG2 THR 11 -13.382 -9.686 8.151 56 H PHE 12 H PHE 12 -8.284 -8.888 7.058 57 HA PHE 12 HA PHE 12 -7.663 -8.465 9.888 58 HB2 PHE 12 1HB PHE 12 -6.066 -7.789 7.409 59 HB3 PHE 12 2HB PHE 12 -5.525 -7.540 9.066 60 HD1 PHE 12 2HD PHE 12 -6.295 -10.051 6.500 61 HD2 PHE 12 1HD PHE 12 -4.733 -9.355 10.398 62 HE1 PHE 12 2HE PHE 12 -5.380 -12.334 6.537 63 HE2 PHE 12 1HE PHE 12 -3.815 -11.638 10.441 64 HZ PHE 12 HZ PHE 12 -4.139 -13.131 8.509 65 H ASN 13 H ASN 13 -6.809 -6.198 10.397 66 HA ASN 13 HA ASN 13 -8.687 -4.236 9.260 67 HB2 ASN 13 1HB ASN 13 -7.325 -3.983 11.937 68 HB3 ASN 13 2HB ASN 13 -8.757 -3.138 11.355 69 HD21 ASN 13 1HD2 ASN 13 -8.329 -4.756 13.763 70 HD22 ASN 13 2HD2 ASN 13 -9.533 -5.995 13.714 71 HA PRO 14 HA PRO 14 -4.564 -2.790 7.839 72 HB2 PRO 14 1HB PRO 14 -5.502 -1.748 5.514 73 HB3 PRO 14 2HB PRO 14 -5.074 -3.453 5.699 74 HG2 PRO 14 1HG PRO 14 -7.769 -2.154 5.799 75 HG3 PRO 14 2HG PRO 14 -7.283 -3.662 5.002 76 HD2 PRO 14 1HD PRO 14 -8.552 -3.622 7.393 77 HD3 PRO 14 2HD PRO 14 -7.368 -4.873 6.962 78 H ARG 15 H ARG 15 -3.730 -0.710 7.805 79 HA ARG 15 HA ARG 15 -5.476 1.335 8.922 80 HB2 ARG 15 1HB ARG 15 -2.512 0.976 8.698 81 HB3 ARG 15 2HB ARG 15 -3.169 2.583 8.974 82 HG2 ARG 15 1HG ARG 15 -3.900 2.076 11.081 83 HG3 ARG 15 2HG ARG 15 -4.074 0.357 10.724 84 HD2 ARG 15 1HD ARG 15 -1.453 0.510 10.446 85 HD3 ARG 15 2HD ARG 15 -1.656 1.910 11.499 86 HE ARG 15 HE ARG 15 -1.836 -0.835 12.246 87 HH11 ARG 15 1HH1 ARG 15 -3.072 2.343 12.947 88 HH12 ARG 15 2HH1 ARG 15 -3.465 1.970 14.593 89 HH21 ARG 15 1HH2 ARG 15 -2.349 -1.339 14.411 90 HH22 ARG 15 2HH2 ARG 15 -3.053 -0.125 15.424 91 H GLU 16 H GLU 16 -6.339 2.914 7.752 92 HA GLU 16 HA GLU 16 -5.523 3.234 4.976 93 HB2 GLU 16 1HB GLU 16 -7.926 3.043 5.577 94 HB3 GLU 16 2HB GLU 16 -7.795 4.548 6.476 95 HG2 GLU 16 1HG GLU 16 -7.326 5.775 4.473 96 HG3 GLU 16 2HG GLU 16 -7.243 4.288 3.531 97 H CYS 17 H CYS 17 -3.990 4.643 4.483 98 HA CYS 17 HA CYS 17 -3.581 6.977 6.213 99 HB2 CYS 17 1HB CYS 17 -1.789 5.603 4.209 100 HB3 CYS 17 2HB CYS 17 -1.389 7.151 4.942 101 HG CYS 17 HG CYS 17 -0.403 4.413 6.023 102 H LYS 18 H LYS 18 -3.623 9.050 5.436 103 HA LYS 18 HA LYS 18 -4.576 9.374 2.665 104 HB2 LYS 18 1HB LYS 18 -5.373 10.738 5.213 105 HB3 LYS 18 2HB LYS 18 -5.542 11.583 3.680 106 HG2 LYS 18 1HG LYS 18 -6.677 8.842 3.973 107 HG3 LYS 18 2HG LYS 18 -7.532 10.222 4.665 108 HD2 LYS 18 1HD LYS 18 -7.282 11.302 2.360 109 HD3 LYS 18 2HD LYS 18 -6.847 9.690 1.787 110 HE2 LYS 18 1HE LYS 18 -9.213 10.092 1.441 111 HE3 LYS 18 2HE LYS 18 -8.981 8.828 2.647 112 HZ1 LYS 18 3HZ LYS 18 -9.497 10.338 4.381 113 HZ2 LYS 18 1HZ LYS 18 -10.704 10.518 3.209 114 HZ3 LYS 18 2HZ LYS 18 -9.473 11.670 3.338 115 H LEU 19 H LEU 19 -2.666 9.832 1.654 116 HA LEU 19 HA LEU 19 -0.809 11.744 2.765 117 HB2 LEU 19 1HB LEU 19 -0.892 9.953 0.402 118 HB3 LEU 19 2HB LEU 19 0.140 11.379 0.305 119 HG LEU 19 HG LEU 19 1.109 10.505 2.557 120 HD11 LEU 19 1HD1 LEU 19 -0.534 8.236 1.599 121 HD12 LEU 19 2HD1 LEU 19 -0.100 8.713 3.240 122 HD13 LEU 19 3HD1 LEU 19 1.070 7.864 2.232 123 HD21 LEU 19 3HD2 LEU 19 1.647 9.687 -0.234 124 HD22 LEU 19 1HD2 LEU 19 2.455 8.767 1.036 125 HD23 LEU 19 2HD2 LEU 19 2.684 10.513 0.930 126 H SER 20 H SER 20 -0.397 13.799 2.034 127 HA SER 20 HA SER 20 -2.117 14.859 -0.096 128 HB2 SER 20 1HB SER 20 -2.556 16.884 1.259 129 HB3 SER 20 2HB SER 20 -3.215 15.431 2.009 130 HG SER 20 HG SER 20 -0.656 16.426 2.677 131 H LYS 21 H LYS 21 -0.978 15.926 -1.563 132 HA LYS 21 HA LYS 21 1.550 17.195 -0.744 133 HB2 LYS 21 1HB LYS 21 2.491 16.560 -2.951 134 HB3 LYS 21 2HB LYS 21 2.113 15.172 -1.938 135 HG2 LYS 21 1HG LYS 21 0.109 14.737 -3.196 136 HG3 LYS 21 2HG LYS 21 0.345 16.207 -4.145 137 HD2 LYS 21 1HD LYS 21 2.543 14.206 -4.098 138 HD3 LYS 21 2HD LYS 21 1.097 13.826 -5.036 139 HE2 LYS 21 1HE LYS 21 2.476 16.471 -5.328 140 HE3 LYS 21 2HE LYS 21 3.055 15.050 -6.196 141 HZ1 LYS 21 3HZ LYS 21 0.349 15.085 -6.626 142 HZ2 LYS 21 1HZ LYS 21 1.548 15.542 -7.728 143 HZ3 LYS 21 2HZ LYS 21 0.808 16.708 -6.752 144 H GLN 22 H GLN 22 2.237 18.981 -2.096 145 HA GLN 22 HA GLN 22 -0.018 20.593 -2.923 146 HB2 GLN 22 1HB GLN 22 2.935 21.144 -2.670 147 HB3 GLN 22 2HB GLN 22 1.806 22.323 -3.323 148 HG2 GLN 22 1HG GLN 22 1.915 22.972 -1.134 149 HG3 GLN 22 2HG GLN 22 0.513 21.903 -1.104 150 HE21 GLN 22 1HE2 GLN 22 0.559 20.110 0.129 151 HE22 GLN 22 2HE2 GLN 22 1.901 19.628 1.103 152 H GLU 23 H GLU 23 0.510 22.053 -4.953 153 HA GLU 23 HA GLU 23 0.650 20.218 -7.181 154 HB2 GLU 23 1HB GLU 23 -1.028 21.770 -7.528 155 HB3 GLU 23 2HB GLU 23 -0.100 23.087 -6.826 156 HG2 GLU 23 1HG GLU 23 -0.274 23.508 -9.147 157 HG3 GLU 23 2HG GLU 23 1.385 23.002 -8.833 158 H GLY 24 H GLY 24 2.604 19.600 -7.856 159 HA2 GLY 24 1HA GLY 24 4.467 20.284 -9.282 160 HA3 GLY 24 2HA GLY 24 4.632 21.708 -8.265 161 H GLN 25 H GLN 25 4.296 20.263 -5.772 162 HA GLN 25 HA GLN 25 7.020 19.299 -5.525 163 HB2 GLN 25 1HB GLN 25 5.986 20.867 -3.867 164 HB3 GLN 25 2HB GLN 25 4.912 19.564 -3.377 165 HG2 GLN 25 1HG GLN 25 6.974 18.221 -2.844 166 HG3 GLN 25 2HG GLN 25 7.896 19.705 -3.080 167 HE21 GLN 25 1HE2 GLN 25 8.502 19.274 -0.829 168 HE22 GLN 25 2HE2 GLN 25 7.475 19.864 0.428 169 H ASN 26 H ASN 26 7.606 17.267 -4.688 170 HA ASN 26 HA ASN 26 5.847 15.131 -5.499 171 HB2 ASN 26 1HB ASN 26 7.725 13.659 -4.997 172 HB3 ASN 26 2HB ASN 26 8.276 15.038 -5.945 173 HD21 ASN 26 1HD2 ASN 26 10.249 13.881 -4.827 174 HD22 ASN 26 2HD2 ASN 26 10.789 14.659 -3.382 175 H TYR 27 H TYR 27 5.749 13.150 -3.990 176 HA TYR 27 HA TYR 27 4.374 13.966 -1.618 177 HB2 TYR 27 1HB TYR 27 4.897 11.395 -3.019 178 HB3 TYR 27 2HB TYR 27 4.497 11.312 -1.307 179 HD1 TYR 27 2HD TYR 27 2.429 13.027 -0.726 180 HD2 TYR 27 1HD TYR 27 3.120 11.066 -4.438 181 HE1 TYR 27 2HE TYR 27 0.039 13.229 -1.271 182 HE2 TYR 27 1HE TYR 27 0.733 11.263 -4.994 183 HH TYR 27 HH TYR 27 -1.215 13.062 -4.129 184 H GLY 28 H GLY 28 7.474 12.422 -2.317 185 HA2 GLY 28 1HA GLY 28 9.335 13.009 -0.833 186 HA3 GLY 28 2HA GLY 28 8.212 12.856 0.510 187 H PHE 29 H PHE 29 7.020 10.422 -0.780 188 HA PHE 29 HA PHE 29 9.130 8.547 0.051 189 HB2 PHE 29 1HB PHE 29 7.529 7.170 0.982 190 HB3 PHE 29 2HB PHE 29 6.789 8.746 1.243 191 HD1 PHE 29 1HD PHE 29 5.155 9.559 -0.599 192 HD2 PHE 29 2HD PHE 29 6.331 5.503 -0.070 193 HE1 PHE 29 1HE PHE 29 3.151 8.822 -1.822 194 HE2 PHE 29 2HE PHE 29 4.330 4.759 -1.294 195 HZ PHE 29 HZ PHE 29 2.737 6.420 -2.172 196 H PHE 30 H PHE 30 9.476 6.643 -1.133 197 HA PHE 30 HA PHE 30 8.286 6.601 -3.826 198 HB2 PHE 30 1HB PHE 30 11.131 5.772 -3.301 199 HB3 PHE 30 2HB PHE 30 10.367 6.158 -4.839 200 HD1 PHE 30 1HD PHE 30 9.245 8.678 -4.696 201 HD2 PHE 30 2HD PHE 30 12.710 7.287 -2.653 202 HE1 PHE 30 1HE PHE 30 10.068 10.991 -4.524 203 HE2 PHE 30 2HE PHE 30 13.539 9.597 -2.477 204 HZ PHE 30 HZ PHE 30 12.217 11.453 -3.413 205 H LEU 31 H LEU 31 7.919 4.580 -4.740 206 HA LEU 31 HA LEU 31 7.708 2.413 -2.815 207 HB2 LEU 31 1HB LEU 31 6.735 2.700 -5.651 208 HB3 LEU 31 2HB LEU 31 6.473 1.270 -4.655 209 HG LEU 31 HG LEU 31 5.528 3.912 -3.648 210 HD11 LEU 31 1HD1 LEU 31 3.915 4.199 -5.155 211 HD12 LEU 31 2HD1 LEU 31 3.509 2.483 -5.167 212 HD13 LEU 31 3HD1 LEU 31 4.819 3.086 -6.183 213 HD21 LEU 31 3HD2 LEU 31 5.443 1.388 -2.657 214 HD22 LEU 31 1HD2 LEU 31 3.883 1.487 -3.473 215 HD23 LEU 31 2HD2 LEU 31 4.305 2.668 -2.233 216 H ARG 32 H ARG 32 9.557 1.320 -2.523 217 HA ARG 32 HA ARG 32 11.150 0.591 -4.881 218 HB2 ARG 32 1HB ARG 32 11.866 0.576 -1.944 219 HB3 ARG 32 2HB ARG 32 12.936 0.051 -3.238 220 HG2 ARG 32 1HG ARG 32 11.770 2.794 -3.322 221 HG3 ARG 32 2HG ARG 32 13.134 2.452 -2.254 222 HD2 ARG 32 1HD ARG 32 14.277 3.062 -4.129 223 HD3 ARG 32 2HD ARG 32 14.101 1.338 -4.450 224 HE ARG 32 HE ARG 32 11.990 3.007 -5.506 225 HH11 ARG 32 1HH1 ARG 32 15.063 1.480 -6.092 226 HH12 ARG 32 2HH1 ARG 32 14.894 1.504 -7.816 227 HH21 ARG 32 1HH2 ARG 32 11.756 3.046 -7.775 228 HH22 ARG 32 2HH2 ARG 32 13.013 2.396 -8.773 229 H ILE 33 H ILE 33 12.140 -1.594 -4.854 230 HA ILE 33 HA ILE 33 10.301 -3.574 -3.675 231 HB ILE 33 HB ILE 33 10.786 -5.037 -5.599 232 HG12 ILE 33 1HG1 ILE 33 12.089 -2.620 -6.860 233 HG13 ILE 33 2HG1 ILE 33 13.001 -3.932 -6.121 234 HG21 ILE 33 1HG2 ILE 33 9.748 -2.350 -6.483 235 HG22 ILE 33 2HG2 ILE 33 9.359 -3.925 -7.173 236 HG23 ILE 33 3HG2 ILE 33 8.816 -3.517 -5.545 237 HD11 ILE 33 3HD1 ILE 33 11.800 -5.477 -7.724 238 HD12 ILE 33 1HD1 ILE 33 11.262 -4.022 -8.561 239 HD13 ILE 33 2HD1 ILE 33 12.985 -4.373 -8.422 240 H GLU 34 H GLU 34 11.163 -5.335 -2.671 241 HA GLU 34 HA GLU 34 14.078 -5.313 -2.309 242 HB2 GLU 34 1HB GLU 34 11.782 -6.071 -0.575 243 HB3 GLU 34 2HB GLU 34 13.280 -6.967 -0.372 244 HG2 GLU 34 1HG GLU 34 14.453 -4.785 -0.073 245 HG3 GLU 34 2HG GLU 34 12.872 -4.004 -0.072 246 H LYS 35 H LYS 35 15.093 -7.479 -1.957 247 HA LYS 35 HA LYS 35 14.467 -9.184 -4.171 248 HB2 LYS 35 1HB LYS 35 16.540 -9.244 -1.994 249 HB3 LYS 35 2HB LYS 35 16.344 -10.602 -3.094 250 HG2 LYS 35 1HG LYS 35 16.761 -9.108 -4.994 251 HG3 LYS 35 2HG LYS 35 16.995 -7.766 -3.872 252 HD2 LYS 35 1HD LYS 35 18.761 -9.375 -2.796 253 HD3 LYS 35 2HD LYS 35 18.730 -10.141 -4.386 254 HE2 LYS 35 1HE LYS 35 19.224 -7.205 -3.910 255 HE3 LYS 35 2HE LYS 35 20.494 -8.406 -4.135 256 HZ1 LYS 35 3HZ LYS 35 18.648 -8.658 -6.228 257 HZ2 LYS 35 1HZ LYS 35 20.271 -8.187 -6.311 258 HZ3 LYS 35 2HZ LYS 35 19.063 -7.023 -6.094 259 H ASP 36 H ASP 36 13.475 -11.132 -4.195 260 HA ASP 36 HA ASP 36 11.979 -12.721 -3.519 261 HB2 ASP 36 1HB ASP 36 13.979 -12.862 -1.253 262 HB3 ASP 36 2HB ASP 36 12.760 -14.089 -1.592 263 H THR 37 H THR 37 11.072 -10.194 -2.893 264 HA THR 37 HA THR 37 9.686 -10.672 -0.338 265 HB THR 37 HB THR 37 10.428 -7.941 -1.397 266 HG1 THR 37 1HG THR 37 12.325 -8.915 -0.736 267 HG21 THR 37 3HG2 THR 37 8.967 -8.961 0.989 268 HG22 THR 37 1HG2 THR 37 8.655 -7.535 -0.000 269 HG23 THR 37 2HG2 THR 37 9.971 -7.523 1.173 270 H ASP 38 H ASP 38 7.517 -10.504 -0.370 271 HA ASP 38 HA ASP 38 6.249 -9.967 -2.940 272 HB2 ASP 38 1HB ASP 38 5.390 -11.311 -0.402 273 HB3 ASP 38 2HB ASP 38 4.172 -10.732 -1.536 274 H GLY 39 H GLY 39 4.677 -8.410 -3.279 275 HA2 GLY 39 1HA GLY 39 3.408 -6.521 -2.868 276 HA3 GLY 39 2HA GLY 39 3.754 -6.708 -1.155 277 H HIS 40 H HIS 40 3.703 -4.224 -2.431 278 HA HIS 40 HA HIS 40 6.465 -3.451 -2.906 279 HB2 HIS 40 1HB HIS 40 3.828 -2.013 -3.090 280 HB3 HIS 40 2HB HIS 40 5.353 -1.135 -3.162 281 HD1 HIS 40 1HD HIS 40 7.046 -2.159 -5.120 282 HD2 HIS 40 2HD HIS 40 2.962 -2.812 -5.519 283 HE1 HIS 40 1HE HIS 40 6.688 -2.719 -7.546 284 HE2 HIS 40 2HE HIS 40 4.199 -3.027 -7.780 285 H LEU 41 H LEU 41 7.612 -1.953 -1.659 286 HA LEU 41 HA LEU 41 6.529 -1.475 1.039 287 HB2 LEU 41 1HB LEU 41 9.359 -2.157 0.261 288 HB3 LEU 41 2HB LEU 41 8.853 -1.666 1.876 289 HG LEU 41 HG LEU 41 7.270 -3.730 1.711 290 HD11 LEU 41 1HD1 LEU 41 9.438 -4.701 -0.118 291 HD12 LEU 41 2HD1 LEU 41 7.933 -4.028 -0.743 292 HD13 LEU 41 3HD1 LEU 41 7.899 -5.464 0.281 293 HD21 LEU 41 3HD2 LEU 41 9.078 -5.160 2.607 294 HD22 LEU 41 1HD2 LEU 41 9.053 -3.549 3.324 295 HD23 LEU 41 2HD2 LEU 41 10.254 -3.949 2.095 296 H ILE 42 H ILE 42 7.291 0.430 2.115 297 HA ILE 42 HA ILE 42 7.890 2.584 0.229 298 HB ILE 42 HB ILE 42 6.844 2.605 3.054 299 HG12 ILE 42 1HG1 ILE 42 5.065 4.012 1.680 300 HG13 ILE 42 2HG1 ILE 42 5.724 3.094 0.330 301 HG21 ILE 42 1HG2 ILE 42 6.676 5.195 2.130 302 HG22 ILE 42 2HG2 ILE 42 7.833 4.586 3.312 303 HG23 ILE 42 3HG2 ILE 42 8.279 4.677 1.609 304 HD11 ILE 42 3HD1 ILE 42 4.263 1.517 0.866 305 HD12 ILE 42 1HD1 ILE 42 5.279 1.182 2.268 306 HD13 ILE 42 2HD1 ILE 42 3.901 2.274 2.418 307 H ARG 43 H ARG 43 9.828 3.505 0.118 308 HA ARG 43 HA ARG 43 11.604 3.422 2.444 309 HB2 ARG 43 1HB ARG 43 12.290 2.426 -0.320 310 HB3 ARG 43 2HB ARG 43 13.511 2.850 0.873 311 HG2 ARG 43 1HG ARG 43 11.390 0.928 1.663 312 HG3 ARG 43 2HG ARG 43 12.663 0.375 0.573 313 HD2 ARG 43 1HD ARG 43 13.337 1.843 3.094 314 HD3 ARG 43 2HD ARG 43 12.985 0.116 3.128 315 HE ARG 43 HE ARG 43 15.353 1.384 2.106 316 HH11 ARG 43 1HH1 ARG 43 13.324 -1.441 1.953 317 HH12 ARG 43 2HH1 ARG 43 14.588 -2.478 1.379 318 HH21 ARG 43 1HH2 ARG 43 17.025 0.029 1.350 319 HH22 ARG 43 2HH2 ARG 43 16.693 -1.641 1.037 320 H VAL 44 H VAL 44 13.365 4.966 2.325 321 HA VAL 44 HA VAL 44 14.315 6.983 1.831 322 HB VAL 44 HB VAL 44 12.714 7.367 -0.648 323 HG11 VAL 44 1HG1 VAL 44 14.725 8.318 -1.482 324 HG12 VAL 44 2HG1 VAL 44 14.520 8.919 0.164 325 HG13 VAL 44 3HG1 VAL 44 15.674 7.627 -0.167 326 HG21 VAL 44 3HG2 VAL 44 14.347 4.998 -0.086 327 HG22 VAL 44 1HG2 VAL 44 13.116 5.263 -1.321 328 HG23 VAL 44 2HG2 VAL 44 14.764 5.838 -1.580 329 H ILE 45 H ILE 45 12.304 7.027 3.596 330 HA ILE 45 HA ILE 45 10.264 8.922 2.850 331 HB ILE 45 HB ILE 45 10.988 7.841 5.576 332 HG12 ILE 45 1HG1 ILE 45 8.708 7.031 3.766 333 HG13 ILE 45 2HG1 ILE 45 10.235 6.160 3.851 334 HG21 ILE 45 1HG2 ILE 45 8.260 8.728 5.207 335 HG22 ILE 45 2HG2 ILE 45 9.422 9.149 6.463 336 HG23 ILE 45 3HG2 ILE 45 9.414 10.033 4.938 337 HD11 ILE 45 3HD1 ILE 45 9.200 6.520 6.488 338 HD12 ILE 45 1HD1 ILE 45 7.958 5.821 5.450 339 HD13 ILE 45 2HD1 ILE 45 9.525 5.026 5.608 340 H GLU 46 H GLU 46 10.925 10.951 2.476 341 HA GLU 46 HA GLU 46 13.136 12.183 3.742 342 HB2 GLU 46 1HB GLU 46 11.877 12.750 1.502 343 HB3 GLU 46 2HB GLU 46 10.920 13.795 2.543 344 HG2 GLU 46 1HG GLU 46 12.952 14.946 3.257 345 HG3 GLU 46 2HG GLU 46 13.910 13.900 2.211 346 H GLU 47 H GLU 47 13.189 13.863 5.276 347 HA GLU 47 HA GLU 47 11.295 13.565 7.398 348 HB2 GLU 47 1HB GLU 47 13.866 14.181 7.435 349 HB3 GLU 47 2HB GLU 47 13.248 15.823 7.336 350 HG2 GLU 47 1HG GLU 47 12.565 13.802 9.459 351 HG3 GLU 47 2HG GLU 47 13.664 15.169 9.638 352 H GLY 48 H GLY 48 9.776 15.013 8.156 353 HA2 GLY 48 1HA GLY 48 8.205 16.683 8.051 354 HA3 GLY 48 2HA GLY 48 9.420 17.643 7.218 355 H SER 49 H SER 49 8.396 14.586 5.921 356 HA SER 49 HA SER 49 7.287 15.984 3.609 357 HB2 SER 49 1HB SER 49 7.786 14.114 2.355 358 HB3 SER 49 2HB SER 49 9.007 13.966 3.619 359 HG SER 49 HG SER 49 7.670 12.485 4.672 360 HA PRO 50 HA PRO 50 3.081 15.102 4.499 361 HB2 PRO 50 1HB PRO 50 2.083 14.693 2.007 362 HB3 PRO 50 2HB PRO 50 2.554 16.289 2.603 363 HG2 PRO 50 1HG PRO 50 4.070 14.402 0.842 364 HG3 PRO 50 2HG PRO 50 3.882 16.160 0.699 365 HD2 PRO 50 1HD PRO 50 6.105 15.012 1.734 366 HD3 PRO 50 2HD PRO 50 5.501 16.588 2.283 367 H ALA 51 H ALA 51 5.085 12.770 2.985 368 HA ALA 51 HA ALA 51 3.091 10.680 2.901 369 HB1 ALA 51 3HB ALA 51 4.506 9.813 1.432 370 HB2 ALA 51 1HB ALA 51 5.663 11.100 1.775 371 HB3 ALA 51 2HB ALA 51 5.707 9.603 2.707 372 H GLU 52 H GLU 52 5.696 11.713 5.015 373 HA GLU 52 HA GLU 52 5.575 9.366 6.674 374 HB2 GLU 52 1HB GLU 52 7.591 10.934 6.301 375 HB3 GLU 52 2HB GLU 52 6.813 11.989 7.472 376 HG2 GLU 52 1HG GLU 52 6.918 10.270 9.157 377 HG3 GLU 52 2HG GLU 52 7.574 9.124 7.989 378 H LYS 53 H LYS 53 4.593 12.765 7.042 379 HA LYS 53 HA LYS 53 3.608 12.871 9.545 380 HB2 LYS 53 1HB LYS 53 2.097 14.562 8.847 381 HB3 LYS 53 2HB LYS 53 3.476 14.661 7.760 382 HG2 LYS 53 1HG LYS 53 2.289 13.902 5.958 383 HG3 LYS 53 2HG LYS 53 1.140 13.005 6.953 384 HD2 LYS 53 1HD LYS 53 0.050 14.926 5.957 385 HD3 LYS 53 2HD LYS 53 0.164 15.139 7.706 386 HE2 LYS 53 1HE LYS 53 2.352 16.224 6.011 387 HE3 LYS 53 2HE LYS 53 0.807 17.072 6.012 388 HZ1 LYS 53 3HZ LYS 53 1.597 16.418 8.657 389 HZ2 LYS 53 1HZ LYS 53 1.262 17.935 7.986 390 HZ3 LYS 53 2HZ LYS 53 2.822 17.289 7.880 391 H ALA 54 H ALA 54 2.337 10.953 6.952 392 HA ALA 54 HA ALA 54 -0.158 10.378 8.298 393 HB1 ALA 54 3HB ALA 54 0.061 8.521 6.296 394 HB2 ALA 54 1HB ALA 54 -0.685 10.112 6.142 395 HB3 ALA 54 2HB ALA 54 0.997 9.876 5.665 396 H GLY 55 H GLY 55 2.250 9.752 9.764 397 HA2 GLY 55 1HA GLY 55 3.186 8.054 10.997 398 HA3 GLY 55 2HA GLY 55 1.593 7.319 10.892 399 H LEU 56 H LEU 56 3.370 7.913 7.981 400 HA LEU 56 HA LEU 56 3.503 5.054 7.489 401 HB2 LEU 56 1HB LEU 56 2.764 6.914 5.841 402 HB3 LEU 56 2HB LEU 56 4.494 7.160 5.608 403 HG LEU 56 HG LEU 56 4.699 4.815 4.865 404 HD11 LEU 56 1HD1 LEU 56 1.939 4.735 5.795 405 HD12 LEU 56 2HD1 LEU 56 3.089 3.424 5.535 406 HD13 LEU 56 3HD1 LEU 56 2.153 4.057 4.181 407 HD21 LEU 56 3HD2 LEU 56 4.378 5.543 2.789 408 HD22 LEU 56 1HD2 LEU 56 3.647 6.992 3.480 409 HD23 LEU 56 2HD2 LEU 56 2.631 5.625 3.022 410 H LEU 57 H LEU 57 5.219 3.934 8.113 411 HA LEU 57 HA LEU 57 7.828 5.282 8.244 412 HB2 LEU 57 1HB LEU 57 8.306 3.006 9.531 413 HB3 LEU 57 2HB LEU 57 7.634 4.428 10.325 414 HG LEU 57 HG LEU 57 5.872 2.255 9.231 415 HD11 LEU 57 1HD1 LEU 57 6.150 2.070 12.059 416 HD12 LEU 57 2HD1 LEU 57 7.747 1.949 11.321 417 HD13 LEU 57 3HD1 LEU 57 6.463 0.843 10.831 418 HD21 LEU 57 3HD2 LEU 57 5.242 4.711 10.119 419 HD22 LEU 57 1HD2 LEU 57 5.211 3.823 11.642 420 HD23 LEU 57 2HD2 LEU 57 4.186 3.310 10.301 421 H ASP 58 H ASP 58 9.731 3.857 7.757 422 HA ASP 58 HA ASP 58 9.453 2.783 5.132 423 HB2 ASP 58 1HB ASP 58 11.840 2.349 5.255 424 HB3 ASP 58 2HB ASP 58 11.497 3.946 5.914 425 H GLY 59 H GLY 59 9.082 0.754 4.495 426 HA2 GLY 59 1HA GLY 59 9.643 -1.629 4.813 427 HA3 GLY 59 2HA GLY 59 9.317 -1.385 6.522 428 H ASP 60 H ASP 60 6.966 0.315 5.919 429 HA ASP 60 HA ASP 60 4.949 -1.551 6.147 430 HB2 ASP 60 1HB ASP 60 4.706 1.201 4.913 431 HB3 ASP 60 2HB ASP 60 3.391 0.251 5.598 432 H ARG 61 H ARG 61 3.463 -2.479 4.740 433 HA ARG 61 HA ARG 61 4.326 -2.552 1.928 434 HB2 ARG 61 1HB ARG 61 3.168 -4.593 3.768 435 HB3 ARG 61 2HB ARG 61 2.782 -4.708 2.056 436 HG2 ARG 61 1HG ARG 61 4.639 -6.007 2.100 437 HG3 ARG 61 2HG ARG 61 5.403 -4.441 1.821 438 HD2 ARG 61 1HD ARG 61 6.203 -4.297 3.969 439 HD3 ARG 61 2HD ARG 61 4.935 -5.332 4.624 440 HE ARG 61 HE ARG 61 6.479 -6.916 2.957 441 HH11 ARG 61 1HH1 ARG 61 6.904 -5.067 5.876 442 HH12 ARG 61 2HH1 ARG 61 8.159 -6.088 6.495 443 HH21 ARG 61 1HH2 ARG 61 8.131 -8.268 3.762 444 HH22 ARG 61 2HH2 ARG 61 8.857 -7.908 5.291 445 H VAL 62 H VAL 62 2.901 -2.144 0.303 446 HA VAL 62 HA VAL 62 0.315 -1.023 1.105 447 HB VAL 62 HB VAL 62 1.570 0.505 -0.215 448 HG11 VAL 62 1HG1 VAL 62 3.181 -0.305 -1.521 449 HG12 VAL 62 2HG1 VAL 62 2.414 -1.893 -1.598 450 HG13 VAL 62 3HG1 VAL 62 1.932 -0.624 -2.724 451 HG21 VAL 62 3HG2 VAL 62 -0.841 0.300 -0.746 452 HG22 VAL 62 1HG2 VAL 62 0.121 0.876 -2.107 453 HG23 VAL 62 2HG2 VAL 62 -0.428 -0.799 -2.062 454 H LEU 63 H LEU 63 -1.429 -2.250 0.916 455 HA LEU 63 HA LEU 63 -1.394 -4.664 -0.662 456 HB2 LEU 63 1HB LEU 63 -3.610 -3.405 0.947 457 HB3 LEU 63 2HB LEU 63 -3.648 -5.016 0.236 458 HG LEU 63 HG LEU 63 -1.509 -4.316 2.204 459 HD11 LEU 63 1HD1 LEU 63 -4.401 -4.655 2.755 460 HD12 LEU 63 2HD1 LEU 63 -3.182 -3.718 3.618 461 HD13 LEU 63 3HD1 LEU 63 -3.263 -5.467 3.830 462 HD21 LEU 63 3HD2 LEU 63 -1.228 -6.566 2.388 463 HD22 LEU 63 1HD2 LEU 63 -1.858 -6.503 0.742 464 HD23 LEU 63 2HD2 LEU 63 -2.930 -6.918 2.080 465 H ARG 64 H ARG 64 -3.524 -1.801 -0.570 466 HA ARG 64 HA ARG 64 -3.962 -2.162 -3.460 467 HB2 ARG 64 1HB ARG 64 -5.984 -1.372 -1.357 468 HB3 ARG 64 2HB ARG 64 -6.269 -1.256 -3.089 469 HG2 ARG 64 1HG ARG 64 -6.163 -3.609 -3.353 470 HG3 ARG 64 2HG ARG 64 -5.553 -3.829 -1.712 471 HD2 ARG 64 1HD ARG 64 -7.617 -3.347 -0.749 472 HD3 ARG 64 2HD ARG 64 -8.209 -2.535 -2.198 473 HE ARG 64 HE ARG 64 -8.432 -5.299 -1.590 474 HH11 ARG 64 1HH1 ARG 64 -7.957 -3.075 -4.227 475 HH12 ARG 64 2HH1 ARG 64 -8.646 -4.133 -5.414 476 HH21 ARG 64 1HH2 ARG 64 -9.341 -6.700 -3.144 477 HH22 ARG 64 2HH2 ARG 64 -9.433 -6.194 -4.797 478 H ILE 65 H ILE 65 -3.788 -0.378 -4.711 479 HA ILE 65 HA ILE 65 -3.063 2.123 -3.347 480 HB ILE 65 HB ILE 65 -1.507 0.943 -5.061 481 HG12 ILE 65 1HG1 ILE 65 -0.957 3.097 -4.166 482 HG13 ILE 65 2HG1 ILE 65 -0.754 3.190 -5.912 483 HG21 ILE 65 1HG2 ILE 65 -1.868 1.426 -7.359 484 HG22 ILE 65 2HG2 ILE 65 -3.359 0.717 -6.742 485 HG23 ILE 65 3HG2 ILE 65 -3.248 2.459 -6.991 486 HD11 ILE 65 3HD1 ILE 65 -3.233 4.066 -5.807 487 HD12 ILE 65 1HD1 ILE 65 -2.763 4.488 -4.160 488 HD13 ILE 65 2HD1 ILE 65 -1.861 5.138 -5.529 489 H ASN 66 H ASN 66 -4.473 3.735 -3.356 490 HA ASN 66 HA ASN 66 -6.348 4.956 -3.803 491 HB2 ASN 66 1HB ASN 66 -4.712 5.441 -5.750 492 HB3 ASN 66 2HB ASN 66 -5.798 4.448 -6.717 493 HD21 ASN 66 1HD2 ASN 66 -5.859 7.173 -4.453 494 HD22 ASN 66 2HD2 ASN 66 -7.094 8.055 -5.280 495 H GLY 67 H GLY 67 -6.785 2.136 -3.426 496 HA2 GLY 67 1HA GLY 67 -8.710 0.841 -3.414 497 HA3 GLY 67 2HA GLY 67 -9.449 1.985 -4.525 498 H VAL 68 H VAL 68 -6.433 0.163 -4.903 499 HA VAL 68 HA VAL 68 -7.665 -1.556 -6.904 500 HB VAL 68 HB VAL 68 -5.311 0.209 -7.593 501 HG11 VAL 68 1HG1 VAL 68 -6.299 -2.260 -8.706 502 HG12 VAL 68 2HG1 VAL 68 -6.372 -0.957 -9.895 503 HG13 VAL 68 3HG1 VAL 68 -4.843 -1.350 -9.108 504 HG21 VAL 68 3HG2 VAL 68 -7.499 1.391 -7.517 505 HG22 VAL 68 1HG2 VAL 68 -6.773 1.347 -9.124 506 HG23 VAL 68 2HG2 VAL 68 -8.105 0.261 -8.728 507 H PHE 69 H PHE 69 -6.837 -3.547 -6.831 508 HA PHE 69 HA PHE 69 -4.835 -4.213 -4.934 509 HB2 PHE 69 1HB PHE 69 -6.801 -5.650 -5.827 510 HB3 PHE 69 2HB PHE 69 -5.705 -6.055 -7.143 511 HD1 PHE 69 2HD PHE 69 -5.438 -5.758 -3.429 512 HD2 PHE 69 1HD PHE 69 -4.706 -8.096 -6.909 513 HE1 PHE 69 2HE PHE 69 -4.418 -7.508 -2.034 514 HE2 PHE 69 1HE PHE 69 -3.685 -9.851 -5.519 515 HZ PHE 69 HZ PHE 69 -3.538 -9.558 -3.079 516 H VAL 70 H VAL 70 -2.736 -3.866 -5.180 517 HA VAL 70 HA VAL 70 -1.548 -4.270 -7.848 518 HB VAL 70 HB VAL 70 0.160 -2.570 -7.231 519 HG11 VAL 70 1HG1 VAL 70 -2.620 -1.422 -7.124 520 HG12 VAL 70 2HG1 VAL 70 -1.167 -0.686 -7.802 521 HG13 VAL 70 3HG1 VAL 70 -1.901 -2.082 -8.593 522 HG21 VAL 70 3HG2 VAL 70 0.288 -2.193 -5.011 523 HG22 VAL 70 1HG2 VAL 70 -0.949 -0.982 -5.347 524 HG23 VAL 70 2HG2 VAL 70 -1.413 -2.573 -4.742 525 H ASP 71 H ASP 71 -1.818 -6.297 -5.897 526 HA ASP 71 HA ASP 71 0.584 -6.589 -4.387 527 HB2 ASP 71 1HB ASP 71 -1.769 -7.728 -4.098 528 HB3 ASP 71 2HB ASP 71 -1.093 -8.936 -5.188 529 H LYS 72 H LYS 72 -0.556 -7.842 -7.493 530 HA LYS 72 HA LYS 72 2.041 -9.114 -7.948 531 HB2 LYS 72 1HB LYS 72 0.091 -10.482 -8.427 532 HB3 LYS 72 2HB LYS 72 -0.549 -9.246 -9.503 533 HG2 LYS 72 1HG LYS 72 0.366 -10.862 -10.918 534 HG3 LYS 72 2HG LYS 72 1.569 -9.571 -10.876 535 HD2 LYS 72 1HD LYS 72 2.900 -11.424 -10.580 536 HD3 LYS 72 2HD LYS 72 2.566 -10.979 -8.905 537 HE2 LYS 72 1HE LYS 72 2.287 -13.360 -9.176 538 HE3 LYS 72 2HE LYS 72 0.717 -12.616 -8.875 539 HZ1 LYS 72 3HZ LYS 72 1.582 -14.134 -11.115 540 HZ2 LYS 72 1HZ LYS 72 1.020 -12.616 -11.609 541 HZ3 LYS 72 2HZ LYS 72 0.020 -13.634 -10.701 542 H GLU 73 H GLU 73 0.213 -6.338 -8.820 543 HA GLU 73 HA GLU 73 1.187 -5.710 -11.336 544 HB2 GLU 73 1HB GLU 73 0.414 -3.951 -9.014 545 HB3 GLU 73 2HB GLU 73 0.878 -3.292 -10.577 546 HG2 GLU 73 1HG GLU 73 -1.447 -5.115 -10.010 547 HG3 GLU 73 2HG GLU 73 -1.517 -3.402 -10.418 548 H GLU 74 H GLU 74 2.788 -4.015 -11.905 549 HA GLU 74 HA GLU 74 5.257 -4.465 -10.396 550 HB2 GLU 74 1HB GLU 74 4.619 -3.803 -13.228 551 HB3 GLU 74 2HB GLU 74 6.143 -3.214 -12.578 552 HG2 GLU 74 1HG GLU 74 7.032 -5.300 -12.378 553 HG3 GLU 74 2HG GLU 74 5.462 -6.069 -12.153 554 H HIS 75 H HIS 75 6.707 -2.703 -9.973 555 HA HIS 75 HA HIS 75 5.561 -0.522 -8.716 556 HB2 HIS 75 1HB HIS 75 7.796 -1.079 -8.151 557 HB3 HIS 75 2HB HIS 75 8.334 -0.946 -9.823 558 HD1 HIS 75 1HD HIS 75 6.489 1.550 -7.615 559 HD2 HIS 75 2HD HIS 75 9.955 1.212 -9.881 560 HE1 HIS 75 1HE HIS 75 7.587 3.810 -7.506 561 HE2 HIS 75 2HE HIS 75 9.637 3.606 -8.954 562 H ALA 76 H ALA 76 6.694 -0.838 -12.037 563 HA ALA 76 HA ALA 76 6.461 1.892 -12.740 564 HB1 ALA 76 3HB ALA 76 6.174 -0.420 -14.641 565 HB2 ALA 76 1HB ALA 76 6.775 1.204 -14.977 566 HB3 ALA 76 2HB ALA 76 7.730 0.097 -13.990 567 H GLN 77 H GLN 77 4.142 -0.607 -12.301 568 HA GLN 77 HA GLN 77 2.102 0.694 -13.900 569 HB2 GLN 77 1HB GLN 77 2.312 -1.854 -12.371 570 HB3 GLN 77 2HB GLN 77 0.707 -1.189 -12.641 571 HG2 GLN 77 1HG GLN 77 2.726 -1.943 -14.741 572 HG3 GLN 77 2HG GLN 77 1.223 -2.782 -14.361 573 HE21 GLN 77 1HE2 GLN 77 -0.714 -1.952 -15.074 574 HE22 GLN 77 2HE2 GLN 77 -0.816 -0.674 -16.232 575 H VAL 78 H VAL 78 2.883 0.193 -10.495 576 HA VAL 78 HA VAL 78 0.519 1.379 -9.463 577 HB VAL 78 HB VAL 78 3.218 1.075 -8.140 578 HG11 VAL 78 1HG1 VAL 78 2.095 1.386 -6.055 579 HG12 VAL 78 2HG1 VAL 78 1.667 2.741 -7.102 580 HG13 VAL 78 3HG1 VAL 78 0.520 1.425 -6.847 581 HG21 VAL 78 3HG2 VAL 78 2.784 -1.093 -7.922 582 HG22 VAL 78 1HG2 VAL 78 1.209 -0.742 -7.211 583 HG23 VAL 78 2HG2 VAL 78 1.375 -0.885 -8.961 584 H VAL 79 H VAL 79 3.796 2.614 -10.041 585 HA VAL 79 HA VAL 79 3.572 5.139 -8.958 586 HB VAL 79 HB VAL 79 5.671 4.268 -9.870 587 HG11 VAL 79 1HG1 VAL 79 4.915 4.995 -12.645 588 HG12 VAL 79 2HG1 VAL 79 6.056 3.782 -12.060 589 HG13 VAL 79 3HG1 VAL 79 4.322 3.460 -12.011 590 HG21 VAL 79 3HG2 VAL 79 4.825 6.863 -9.888 591 HG22 VAL 79 1HG2 VAL 79 6.483 6.336 -10.173 592 HG23 VAL 79 2HG2 VAL 79 5.415 6.661 -11.537 593 H GLU 80 H GLU 80 2.045 3.859 -11.776 594 HA GLU 80 HA GLU 80 1.404 6.444 -12.902 595 HB2 GLU 80 1HB GLU 80 1.715 4.695 -14.483 596 HB3 GLU 80 2HB GLU 80 0.624 3.622 -13.617 597 HG2 GLU 80 1HG GLU 80 -1.162 5.420 -14.138 598 HG3 GLU 80 2HG GLU 80 -0.015 5.957 -15.364 599 H LEU 81 H LEU 81 -0.453 3.767 -11.457 600 HA LEU 81 HA LEU 81 -2.954 4.960 -11.459 601 HB2 LEU 81 1HB LEU 81 -1.891 3.172 -9.282 602 HB3 LEU 81 2HB LEU 81 -3.575 3.400 -9.750 603 HG LEU 81 HG LEU 81 -1.677 2.317 -11.773 604 HD11 LEU 81 1HD1 LEU 81 -2.996 0.317 -10.066 605 HD12 LEU 81 2HD1 LEU 81 -1.631 1.162 -9.337 606 HD13 LEU 81 3HD1 LEU 81 -1.416 0.283 -10.850 607 HD21 LEU 81 3HD2 LEU 81 -4.339 2.858 -11.778 608 HD22 LEU 81 1HD2 LEU 81 -4.334 1.149 -11.342 609 HD23 LEU 81 2HD2 LEU 81 -3.552 1.681 -12.831 610 H VAL 82 H VAL 82 -0.235 5.480 -9.338 611 HA VAL 82 HA VAL 82 -1.713 6.913 -7.338 612 HB VAL 82 HB VAL 82 1.263 6.841 -7.858 613 HG11 VAL 82 1HG1 VAL 82 -0.232 7.731 -5.394 614 HG12 VAL 82 2HG1 VAL 82 1.519 7.711 -5.617 615 HG13 VAL 82 3HG1 VAL 82 0.519 8.811 -6.568 616 HG21 VAL 82 3HG2 VAL 82 0.196 5.446 -5.521 617 HG22 VAL 82 1HG2 VAL 82 -0.337 4.770 -7.061 618 HG23 VAL 82 2HG2 VAL 82 1.385 4.919 -6.711 619 H ARG 83 H ARG 83 -0.042 7.719 -10.289 620 HA ARG 83 HA ARG 83 0.306 10.477 -9.865 621 HB2 ARG 83 1HB ARG 83 1.117 8.830 -11.789 622 HB3 ARG 83 2HB ARG 83 -0.305 9.470 -12.602 623 HG2 ARG 83 1HG ARG 83 0.634 11.778 -12.050 624 HG3 ARG 83 2HG ARG 83 2.140 10.936 -11.679 625 HD2 ARG 83 1HD ARG 83 2.185 11.727 -13.963 626 HD3 ARG 83 2HD ARG 83 2.125 9.965 -13.942 627 HE ARG 83 HE ARG 83 0.033 11.778 -14.840 628 HH11 ARG 83 1HH1 ARG 83 1.003 8.523 -14.075 629 HH12 ARG 83 2HH1 ARG 83 -0.289 7.790 -14.967 630 HH21 ARG 83 1HH2 ARG 83 -1.672 10.825 -16.017 631 HH22 ARG 83 2HH2 ARG 83 -1.809 9.100 -16.072 632 H LYS 84 H LYS 84 -2.174 8.884 -11.879 633 HA LYS 84 HA LYS 84 -3.772 11.071 -12.363 634 HB2 LYS 84 1HB LYS 84 -5.579 9.516 -12.804 635 HB3 LYS 84 2HB LYS 84 -4.068 8.849 -13.408 636 HG2 LYS 84 1HG LYS 84 -4.039 7.705 -11.024 637 HG3 LYS 84 2HG LYS 84 -5.782 7.947 -11.162 638 HD2 LYS 84 1HD LYS 84 -5.476 6.895 -13.520 639 HD3 LYS 84 2HD LYS 84 -3.958 6.286 -12.856 640 HE2 LYS 84 1HE LYS 84 -5.012 4.910 -11.351 641 HE3 LYS 84 2HE LYS 84 -6.461 5.913 -11.285 642 HZ1 LYS 84 3HZ LYS 84 -6.164 4.915 -13.892 643 HZ2 LYS 84 1HZ LYS 84 -7.403 4.607 -12.782 644 HZ3 LYS 84 2HZ LYS 84 -6.030 3.620 -12.811 645 H SER 85 H SER 85 -3.752 8.957 -9.538 646 HA SER 85 HA SER 85 -5.971 9.490 -8.166 647 HB2 SER 85 1HB SER 85 -3.268 9.853 -6.862 648 HB3 SER 85 2HB SER 85 -4.756 9.283 -6.108 649 HG SER 85 HG SER 85 -3.801 7.424 -6.554 650 H GLY 86 H GLY 86 -3.212 11.747 -8.247 651 HA2 GLY 86 1HA GLY 86 -3.797 14.121 -8.647 652 HA3 GLY 86 2HA GLY 86 -5.103 13.891 -7.494 653 H ASN 87 H ASN 87 -4.444 15.470 -6.068 654 HA ASN 87 HA ASN 87 -1.749 15.514 -5.047 655 HB2 ASN 87 1HB ASN 87 -4.188 17.022 -4.079 656 HB3 ASN 87 2HB ASN 87 -2.511 17.375 -3.669 657 HD21 ASN 87 1HD2 ASN 87 -1.276 18.534 -5.053 658 HD22 ASN 87 2HD2 ASN 87 -1.861 19.216 -6.529 659 H SER 88 H SER 88 -4.586 13.816 -4.330 660 HA SER 88 HA SER 88 -3.484 13.030 -1.713 661 HB2 SER 88 1HB SER 88 -5.836 12.679 -0.945 662 HB3 SER 88 2HB SER 88 -5.459 14.367 -1.293 663 HG SER 88 HG SER 88 -7.443 13.016 -2.258 664 H VAL 89 H VAL 89 -3.201 10.907 -1.412 665 HA VAL 89 HA VAL 89 -4.562 9.031 -3.223 666 HB VAL 89 HB VAL 89 -1.665 8.762 -2.423 667 HG11 VAL 89 1HG1 VAL 89 -3.057 6.708 -2.970 668 HG12 VAL 89 2HG1 VAL 89 -3.133 7.330 -4.620 669 HG13 VAL 89 3HG1 VAL 89 -1.574 6.930 -3.898 670 HG21 VAL 89 3HG2 VAL 89 -1.114 10.186 -4.037 671 HG22 VAL 89 1HG2 VAL 89 -1.941 9.162 -5.211 672 HG23 VAL 89 2HG2 VAL 89 -2.818 10.459 -4.400 673 H THR 90 H THR 90 -5.432 7.309 -2.245 674 HA THR 90 HA THR 90 -5.053 7.031 0.634 675 HB THR 90 HB THR 90 -7.023 5.590 -1.150 676 HG1 THR 90 1HG THR 90 -8.476 7.180 -0.550 677 HG21 THR 90 3HG2 THR 90 -6.847 5.919 1.846 678 HG22 THR 90 1HG2 THR 90 -6.667 4.422 0.932 679 HG23 THR 90 2HG2 THR 90 -8.232 5.234 0.995 680 H LEU 91 H LEU 91 -3.528 5.693 1.332 681 HA LEU 91 HA LEU 91 -2.980 3.250 -0.220 682 HB2 LEU 91 1HB LEU 91 -1.131 4.675 1.685 683 HB3 LEU 91 2HB LEU 91 -0.739 3.282 0.679 684 HG LEU 91 HG LEU 91 -1.526 5.940 -0.489 685 HD11 LEU 91 1HD1 LEU 91 1.286 5.377 -0.658 686 HD12 LEU 91 2HD1 LEU 91 0.772 5.458 1.026 687 HD13 LEU 91 3HD1 LEU 91 0.464 6.816 -0.055 688 HD21 LEU 91 3HD2 LEU 91 -1.427 3.580 -1.706 689 HD22 LEU 91 1HD2 LEU 91 0.285 3.993 -1.802 690 HD23 LEU 91 2HD2 LEU 91 -0.922 5.071 -2.502 691 H LEU 92 H LEU 92 -3.084 1.303 0.771 692 HA LEU 92 HA LEU 92 -3.950 1.298 3.580 693 HB2 LEU 92 1HB LEU 92 -4.400 -0.635 1.322 694 HB3 LEU 92 2HB LEU 92 -4.745 -1.042 3.002 695 HG LEU 92 HG LEU 92 -6.012 1.312 1.621 696 HD11 LEU 92 1HD1 LEU 92 -7.613 0.045 0.678 697 HD12 LEU 92 2HD1 LEU 92 -7.593 -1.143 1.980 698 HD13 LEU 92 3HD1 LEU 92 -6.368 -1.203 0.714 699 HD21 LEU 92 3HD2 LEU 92 -6.717 1.687 3.699 700 HD22 LEU 92 1HD2 LEU 92 -6.106 0.132 4.266 701 HD23 LEU 92 2HD2 LEU 92 -7.706 0.236 3.531 702 H VAL 93 H VAL 93 -2.364 0.857 4.956 703 HA VAL 93 HA VAL 93 -0.256 -1.026 4.140 704 HB VAL 93 HB VAL 93 1.130 -0.064 5.894 705 HG11 VAL 93 1HG1 VAL 93 -0.120 2.087 4.188 706 HG12 VAL 93 2HG1 VAL 93 1.476 2.143 4.937 707 HG13 VAL 93 3HG1 VAL 93 1.139 0.969 3.664 708 HG21 VAL 93 3HG2 VAL 93 -1.385 1.406 6.565 709 HG22 VAL 93 1HG2 VAL 93 -0.256 0.568 7.630 710 HG23 VAL 93 2HG2 VAL 93 0.182 2.128 6.933 711 H LEU 94 H LEU 94 -0.114 -2.951 5.096 712 HA LEU 94 HA LEU 94 -1.845 -3.481 7.406 713 HB2 LEU 94 1HB LEU 94 -1.949 -4.813 5.204 714 HB3 LEU 94 2HB LEU 94 -0.457 -5.568 5.760 715 HG LEU 94 HG LEU 94 -1.657 -6.358 7.778 716 HD11 LEU 94 1HD1 LEU 94 -4.259 -6.330 7.357 717 HD12 LEU 94 2HD1 LEU 94 -3.869 -4.843 6.493 718 HD13 LEU 94 3HD1 LEU 94 -3.449 -5.008 8.198 719 HD21 LEU 94 3HD2 LEU 94 -1.750 -8.170 6.487 720 HD22 LEU 94 1HD2 LEU 94 -2.076 -7.216 5.040 721 HD23 LEU 94 2HD2 LEU 94 -3.404 -7.695 6.098 722 H ASP 95 H ASP 95 -1.064 -4.680 9.192 723 HA ASP 95 HA ASP 95 1.586 -3.987 9.977 724 HB2 ASP 95 1HB ASP 95 -0.197 -5.985 11.366 725 HB3 ASP 95 2HB ASP 95 1.065 -4.980 12.074 726 H GLY 96 H GLY 96 3.427 -5.144 9.932 727 HA2 GLY 96 1HA GLY 96 3.997 -7.125 8.206 728 HA3 GLY 96 2HA GLY 96 4.828 -6.984 9.748 729 H ASP 97 H ASP 97 3.223 -7.823 11.619 730 HA ASP 97 HA ASP 97 3.206 -10.570 11.484 731 HB2 ASP 97 1HB ASP 97 1.799 -8.576 13.195 732 HB3 ASP 97 2HB ASP 97 1.271 -10.254 13.285 733 H SER 98 H SER 98 0.316 -8.493 11.197 734 HA SER 98 HA SER 98 -1.536 -10.418 10.557 735 HB2 SER 98 1HB SER 98 -1.305 -7.547 9.657 736 HB3 SER 98 2HB SER 98 -2.694 -8.552 9.245 737 HG SER 98 HG SER 98 -3.426 -8.034 11.135 738 H TYR 99 H TYR 99 0.692 -8.740 8.379 739 HA TYR 99 HA TYR 99 -0.287 -9.839 5.977 740 HB2 TYR 99 1HB TYR 99 1.309 -7.854 6.300 741 HB3 TYR 99 2HB TYR 99 2.587 -9.058 6.430 742 HD1 TYR 99 2HD TYR 99 2.481 -10.886 4.447 743 HD2 TYR 99 1HD TYR 99 0.989 -6.908 4.227 744 HE1 TYR 99 2HE TYR 99 2.669 -10.958 1.996 745 HE2 TYR 99 1HE TYR 99 1.171 -6.969 1.775 746 HH TYR 99 HH TYR 99 1.167 -8.867 -0.024 747 H GLU 100 H GLU 100 2.749 -10.668 7.663 748 HA GLU 100 HA GLU 100 3.431 -12.915 6.261 749 HB2 GLU 100 1HB GLU 100 3.742 -12.465 9.235 750 HB3 GLU 100 2HB GLU 100 4.604 -13.683 8.305 751 HG2 GLU 100 1HG GLU 100 5.467 -11.745 6.891 752 HG3 GLU 100 2HG GLU 100 4.875 -10.701 8.182 753 H LYS 101 H LYS 101 1.221 -12.716 9.025 754 HA LYS 101 HA LYS 101 0.712 -15.447 9.326 755 HB2 LYS 101 1HB LYS 101 0.002 -13.906 11.023 756 HB3 LYS 101 2HB LYS 101 -1.018 -13.036 9.885 757 HG2 LYS 101 1HG LYS 101 -2.658 -14.642 9.913 758 HG3 LYS 101 2HG LYS 101 -1.544 -15.925 10.393 759 HD2 LYS 101 1HD LYS 101 -2.180 -13.634 12.226 760 HD3 LYS 101 2HD LYS 101 -3.219 -15.059 12.139 761 HE2 LYS 101 1HE LYS 101 -1.347 -16.486 12.739 762 HE3 LYS 101 2HE LYS 101 -0.264 -15.095 12.750 763 HZ1 LYS 101 3HZ LYS 101 -2.569 -14.777 14.442 764 HZ2 LYS 101 1HZ LYS 101 -0.933 -14.506 14.780 765 HZ3 LYS 101 2HZ LYS 101 -1.574 -16.066 14.903 766 H ALA 102 H ALA 102 -0.910 -13.022 7.311 767 HA ALA 102 HA ALA 102 -2.928 -14.714 6.309 768 HB1 ALA 102 3HB ALA 102 -2.088 -12.028 5.931 769 HB2 ALA 102 1HB ALA 102 -2.276 -12.776 4.345 770 HB3 ALA 102 2HB ALA 102 -3.622 -12.776 5.486 771 H VAL 103 H VAL 103 -0.166 -13.447 4.443 772 HA VAL 103 HA VAL 103 -0.250 -15.029 2.260 773 HB VAL 103 HB VAL 103 1.454 -13.333 2.490 774 HG11 VAL 103 1HG1 VAL 103 1.949 -13.617 4.859 775 HG12 VAL 103 2HG1 VAL 103 2.735 -15.160 4.521 776 HG13 VAL 103 3HG1 VAL 103 3.428 -13.662 3.900 777 HG21 VAL 103 3HG2 VAL 103 2.354 -14.550 0.841 778 HG22 VAL 103 1HG2 VAL 103 3.505 -15.101 2.058 779 HG23 VAL 103 2HG2 VAL 103 2.079 -16.071 1.690 780 H LYS 104 H LYS 104 1.020 -15.963 5.419 781 HA LYS 104 HA LYS 104 2.037 -18.484 4.633 782 HB2 LYS 104 1HB LYS 104 2.755 -17.427 6.700 783 HB3 LYS 104 2HB LYS 104 1.116 -17.488 7.335 784 HG2 LYS 104 1HG LYS 104 2.170 -19.262 8.387 785 HG3 LYS 104 2HG LYS 104 1.322 -20.034 7.045 786 HD2 LYS 104 1HD LYS 104 3.421 -21.000 6.917 787 HD3 LYS 104 2HD LYS 104 3.556 -19.669 5.766 788 HE2 LYS 104 1HE LYS 104 4.318 -19.227 8.618 789 HE3 LYS 104 2HE LYS 104 5.427 -20.088 7.552 790 HZ1 LYS 104 3HZ LYS 104 4.852 -17.299 7.685 791 HZ2 LYS 104 1HZ LYS 104 4.643 -17.895 6.116 792 HZ3 LYS 104 2HZ LYS 104 6.124 -18.097 6.907 793 H ASN 105 H ASN 105 -1.085 -17.450 5.940 794 HA ASN 105 HA ASN 105 -2.113 -20.174 5.752 795 HB2 ASN 105 1HB ASN 105 -3.322 -17.622 6.831 796 HB3 ASN 105 2HB ASN 105 -4.177 -19.161 6.770 797 HD21 ASN 105 1HD2 ASN 105 -2.930 -17.270 8.901 798 HD22 ASN 105 2HD2 ASN 105 -2.164 -18.379 9.983 799 H GLN 106 H GLN 106 -1.463 -18.249 3.450 800 HA GLN 106 HA GLN 106 -2.384 -17.528 1.478 801 HB2 GLN 106 1HB GLN 106 -3.766 -20.187 1.865 802 HB3 GLN 106 2HB GLN 106 -3.738 -19.296 0.349 803 HG2 GLN 106 1HG GLN 106 -1.523 -19.734 -0.031 804 HG3 GLN 106 2HG GLN 106 -1.160 -19.950 1.680 805 HE21 GLN 106 1HE2 GLN 106 -1.187 -21.549 -1.078 806 HE22 GLN 106 2HE2 GLN 106 -1.628 -23.132 -0.545 807 H VAL 107 H VAL 107 -3.626 -16.233 3.537 808 HA VAL 107 HA VAL 107 -6.493 -16.470 3.295 809 HB VAL 107 HB VAL 107 -4.813 -14.399 4.715 810 HG11 VAL 107 1HG1 VAL 107 -6.955 -13.451 4.189 811 HG12 VAL 107 2HG1 VAL 107 -7.786 -14.900 4.758 812 HG13 VAL 107 3HG1 VAL 107 -6.931 -13.865 5.902 813 HG21 VAL 107 3HG2 VAL 107 -4.507 -15.982 6.247 814 HG22 VAL 107 1HG2 VAL 107 -6.247 -15.966 6.537 815 HG23 VAL 107 2HG2 VAL 107 -5.557 -17.099 5.374 816 H ASP 108 H ASP 108 -7.886 -15.059 2.291 817 HA ASP 108 HA ASP 108 -7.003 -13.787 -0.054 818 HB2 ASP 108 1HB ASP 108 -9.594 -13.488 1.477 819 HB3 ASP 108 2HB ASP 108 -9.313 -12.832 -0.133 820 H LEU 109 H LEU 109 -6.135 -11.854 -0.398 821 HA LEU 109 HA LEU 109 -6.099 -9.926 1.812 822 HB2 LEU 109 1HB LEU 109 -4.375 -10.256 -0.630 823 HB3 LEU 109 2HB LEU 109 -4.289 -8.840 0.416 824 HG LEU 109 HG LEU 109 -3.815 -11.644 1.408 825 HD11 LEU 109 1HD1 LEU 109 -2.152 -11.280 -0.256 826 HD12 LEU 109 2HD1 LEU 109 -1.395 -11.013 1.314 827 HD13 LEU 109 3HD1 LEU 109 -1.856 -9.636 0.312 828 HD21 LEU 109 3HD2 LEU 109 -4.400 -9.983 3.101 829 HD22 LEU 109 1HD2 LEU 109 -3.104 -8.934 2.526 830 HD23 LEU 109 2HD2 LEU 109 -2.718 -10.491 3.258 831 H LYS 110 H LYS 110 -7.101 -10.343 -1.506 832 HA LYS 110 HA LYS 110 -7.537 -7.741 -2.315 833 HB2 LYS 110 1HB LYS 110 -9.146 -10.233 -2.878 834 HB3 LYS 110 2HB LYS 110 -9.417 -8.702 -3.701 835 HG2 LYS 110 1HG LYS 110 -7.334 -8.781 -4.771 836 HG3 LYS 110 2HG LYS 110 -6.733 -10.041 -3.691 837 HD2 LYS 110 1HD LYS 110 -8.588 -11.509 -4.647 838 HD3 LYS 110 2HD LYS 110 -8.758 -10.278 -5.901 839 HE2 LYS 110 1HE LYS 110 -6.060 -11.406 -5.300 840 HE3 LYS 110 2HE LYS 110 -7.195 -12.346 -6.267 841 HZ1 LYS 110 3HZ LYS 110 -7.286 -9.842 -7.353 842 HZ2 LYS 110 1HZ LYS 110 -6.460 -11.175 -7.987 843 HZ3 LYS 110 2HZ LYS 110 -5.646 -10.065 -7.004 844 H GLU 111 H GLU 111 -9.361 -9.680 -0.057 845 HA GLU 111 HA GLU 111 -11.707 -8.106 0.011 846 HB2 GLU 111 1HB GLU 111 -12.204 -9.253 2.101 847 HB3 GLU 111 2HB GLU 111 -11.602 -10.393 0.906 848 HG2 GLU 111 1HG GLU 111 -9.380 -10.286 1.962 849 HG3 GLU 111 2HG GLU 111 -10.044 -9.214 3.194 850 H LEU 112 H LEU 112 -8.666 -7.958 1.787 851 HA LEU 112 HA LEU 112 -9.182 -6.256 3.831 852 HB2 LEU 112 1HB LEU 112 -6.833 -5.975 1.965 853 HB3 LEU 112 2HB LEU 112 -6.917 -5.430 3.639 854 HG LEU 112 HG LEU 112 -7.153 -8.332 2.891 855 HD11 LEU 112 1HD1 LEU 112 -4.630 -8.040 3.891 856 HD12 LEU 112 2HD1 LEU 112 -4.791 -6.613 2.868 857 HD13 LEU 112 3HD1 LEU 112 -5.035 -8.219 2.184 858 HD21 LEU 112 3HD2 LEU 112 -6.193 -8.476 5.267 859 HD22 LEU 112 1HD2 LEU 112 -7.884 -8.011 5.083 860 HD23 LEU 112 2HD2 LEU 112 -6.662 -6.782 5.411 861 H ASP 113 H ASP 113 -10.595 -4.613 3.713 862 HA ASP 113 HA ASP 113 -9.844 -2.264 2.224 863 HB2 ASP 113 1HB ASP 113 -11.810 -2.048 0.889 864 HB3 ASP 113 2HB ASP 113 -11.175 -3.664 0.594 865 H GLN 114 H GLN 114 -9.903 -0.870 3.867 866 HA GLN 114 HA GLN 114 -11.150 -0.919 6.234 867 HB2 GLN 114 1HB GLN 114 -9.676 0.929 5.181 868 HB3 GLN 114 2HB GLN 114 -11.199 1.651 4.678 869 HG2 GLN 114 1HG GLN 114 -10.533 0.963 7.529 870 HG3 GLN 114 2HG GLN 114 -10.258 2.547 6.804 871 HE21 GLN 114 1HE2 GLN 114 -12.319 0.832 8.660 872 HE22 GLN 114 2HE2 GLN 114 -13.782 1.704 8.372 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -21.737 -18.510 24.620 2 HA2 GLY 1 1HA GLY 1 -21.345 -21.407 24.579 3 HA3 GLY 1 2HA GLY 1 -21.485 -20.358 23.176 4 H SER 2 H SER 2 -19.443 -22.409 24.319 5 HA SER 2 HA SER 2 -17.033 -20.826 24.493 6 HB2 SER 2 1HB SER 2 -15.888 -22.960 24.790 7 HB3 SER 2 2HB SER 2 -17.314 -22.898 25.826 8 HG SER 2 HG SER 2 -16.764 -24.521 23.661 9 H SER 3 H SER 3 -18.503 -23.073 22.184 10 HA SER 3 HA SER 3 -16.374 -22.565 20.259 11 HB2 SER 3 1HB SER 3 -17.409 -24.871 20.688 12 HB3 SER 3 2HB SER 3 -18.815 -24.278 19.803 13 HG SER 3 HG SER 3 -17.398 -25.335 18.396 14 H GLY 4 H GLY 4 -16.940 -22.009 18.011 15 HA2 GLY 4 1HA GLY 4 -19.473 -20.670 17.571 16 HA3 GLY 4 2HA GLY 4 -18.083 -19.599 17.657 17 H SER 5 H SER 5 -19.715 -22.049 15.808 18 HA SER 5 HA SER 5 -17.787 -21.671 13.615 19 HB2 SER 5 1HB SER 5 -19.515 -23.968 14.437 20 HB3 SER 5 2HB SER 5 -19.123 -23.777 12.728 21 HG SER 5 HG SER 5 -17.556 -25.053 13.695 22 H SER 6 H SER 6 -18.428 -20.795 11.733 23 HA SER 6 HA SER 6 -21.240 -20.632 11.044 24 HB2 SER 6 1HB SER 6 -19.589 -18.123 11.430 25 HB3 SER 6 2HB SER 6 -21.234 -18.188 10.798 26 HG SER 6 HG SER 6 -21.989 -18.709 12.765 27 H GLY 7 H GLY 7 -21.413 -19.245 8.912 28 HA2 GLY 7 1HA GLY 7 -19.426 -20.396 7.099 29 HA3 GLY 7 2HA GLY 7 -20.989 -19.735 6.641 30 H MET 8 H MET 8 -18.215 -18.413 8.447 31 HA MET 8 HA MET 8 -17.991 -16.311 6.407 32 HB2 MET 8 1HB MET 8 -19.238 -15.696 8.637 33 HB3 MET 8 2HB MET 8 -17.609 -15.619 9.293 34 HG2 MET 8 1HG MET 8 -18.357 -13.427 8.606 35 HG3 MET 8 2HG MET 8 -17.005 -13.961 7.609 36 HE1 MET 8 3HE MET 8 -20.548 -13.484 8.160 37 HE2 MET 8 1HE MET 8 -20.866 -12.399 6.806 38 HE3 MET 8 2HE MET 8 -21.371 -14.086 6.720 39 H ALA 9 H ALA 9 -15.935 -15.618 5.963 40 HA ALA 9 HA ALA 9 -13.786 -17.278 7.010 41 HB1 ALA 9 3HB ALA 9 -13.058 -17.135 4.921 42 HB2 ALA 9 1HB ALA 9 -14.327 -15.973 4.531 43 HB3 ALA 9 2HB ALA 9 -12.775 -15.409 5.154 44 H SER 10 H SER 10 -11.597 -16.028 7.212 45 HA SER 10 HA SER 10 -12.046 -13.960 9.224 46 HB2 SER 10 1HB SER 10 -9.839 -15.863 8.601 47 HB3 SER 10 2HB SER 10 -9.408 -14.340 9.378 48 HG SER 10 HG SER 10 -10.711 -16.525 10.397 49 H THR 11 H THR 11 -10.440 -12.138 9.290 50 HA THR 11 HA THR 11 -9.157 -11.310 6.882 51 HB THR 11 HB THR 11 -11.462 -10.844 6.195 52 HG1 THR 11 1HG THR 11 -9.641 -8.756 6.663 53 HG21 THR 11 3HG2 THR 11 -12.096 -10.386 8.715 54 HG22 THR 11 1HG2 THR 11 -12.978 -9.609 7.401 55 HG23 THR 11 2HG2 THR 11 -11.727 -8.720 8.270 56 H PHE 12 H PHE 12 -7.793 -9.573 7.202 57 HA PHE 12 HA PHE 12 -7.433 -8.788 9.985 58 HB2 PHE 12 1HB PHE 12 -5.663 -8.117 7.631 59 HB3 PHE 12 2HB PHE 12 -5.246 -8.040 9.340 60 HD1 PHE 12 2HD PHE 12 -5.866 -10.275 6.496 61 HD2 PHE 12 1HD PHE 12 -4.604 -9.995 10.551 62 HE1 PHE 12 2HE PHE 12 -5.008 -12.578 6.384 63 HE2 PHE 12 1HE PHE 12 -3.743 -12.297 10.446 64 HZ PHE 12 HZ PHE 12 -3.945 -13.593 8.361 65 H ASN 13 H ASN 13 -6.795 -6.490 10.420 66 HA ASN 13 HA ASN 13 -8.558 -4.686 8.903 67 HB2 ASN 13 1HB ASN 13 -7.559 -4.307 11.731 68 HB3 ASN 13 2HB ASN 13 -8.808 -3.376 10.908 69 HD21 ASN 13 1HD2 ASN 13 -10.791 -3.881 11.454 70 HD22 ASN 13 2HD2 ASN 13 -11.339 -5.422 12.012 71 HA PRO 14 HA PRO 14 -4.471 -3.078 7.737 72 HB2 PRO 14 1HB PRO 14 -5.374 -1.833 5.499 73 HB3 PRO 14 2HB PRO 14 -4.986 -3.557 5.550 74 HG2 PRO 14 1HG PRO 14 -7.652 -2.209 5.745 75 HG3 PRO 14 2HG PRO 14 -7.196 -3.659 4.832 76 HD2 PRO 14 1HD PRO 14 -8.475 -3.779 7.216 77 HD3 PRO 14 2HD PRO 14 -7.318 -5.019 6.690 78 H ARG 15 H ARG 15 -3.692 -0.871 7.384 79 HA ARG 15 HA ARG 15 -5.379 1.087 8.787 80 HB2 ARG 15 1HB ARG 15 -3.357 0.707 9.993 81 HB3 ARG 15 2HB ARG 15 -2.386 0.831 8.532 82 HG2 ARG 15 1HG ARG 15 -2.753 3.176 8.389 83 HG3 ARG 15 2HG ARG 15 -3.971 3.120 9.665 84 HD2 ARG 15 1HD ARG 15 -1.103 2.319 10.096 85 HD3 ARG 15 2HD ARG 15 -1.686 3.965 10.340 86 HE ARG 15 HE ARG 15 -3.270 2.102 11.778 87 HH11 ARG 15 1HH1 ARG 15 -0.189 3.723 11.820 88 HH12 ARG 15 2HH1 ARG 15 -0.028 3.651 13.544 89 HH21 ARG 15 1HH2 ARG 15 -3.069 2.001 14.048 90 HH22 ARG 15 2HH2 ARG 15 -1.666 2.670 14.810 91 H GLU 16 H GLU 16 -6.440 2.293 7.338 92 HA GLU 16 HA GLU 16 -5.405 2.888 4.742 93 HB2 GLU 16 1HB GLU 16 -7.824 2.670 5.206 94 HB3 GLU 16 2HB GLU 16 -7.751 4.118 6.200 95 HG2 GLU 16 1HG GLU 16 -6.863 5.281 4.098 96 HG3 GLU 16 2HG GLU 16 -7.458 3.865 3.233 97 H CYS 17 H CYS 17 -4.424 4.696 3.992 98 HA CYS 17 HA CYS 17 -3.963 6.888 5.903 99 HB2 CYS 17 1HB CYS 17 -1.962 5.564 4.069 100 HB3 CYS 17 2HB CYS 17 -1.678 7.119 4.841 101 HG CYS 17 HG CYS 17 -0.317 4.960 6.147 102 H LYS 18 H LYS 18 -4.399 8.864 5.155 103 HA LYS 18 HA LYS 18 -4.984 9.144 2.287 104 HB2 LYS 18 1HB LYS 18 -6.073 10.456 4.747 105 HB3 LYS 18 2HB LYS 18 -6.134 11.318 3.215 106 HG2 LYS 18 1HG LYS 18 -7.212 9.114 2.338 107 HG3 LYS 18 2HG LYS 18 -7.548 8.828 4.047 108 HD2 LYS 18 1HD LYS 18 -8.436 11.308 3.937 109 HD3 LYS 18 2HD LYS 18 -8.611 10.930 2.221 110 HE2 LYS 18 1HE LYS 18 -9.839 8.826 2.999 111 HE3 LYS 18 2HE LYS 18 -9.918 9.603 4.579 112 HZ1 LYS 18 3HZ LYS 18 -11.128 10.519 2.037 113 HZ2 LYS 18 1HZ LYS 18 -10.961 11.539 3.377 114 HZ3 LYS 18 2HZ LYS 18 -11.909 10.143 3.490 115 H LEU 19 H LEU 19 -2.941 9.622 1.514 116 HA LEU 19 HA LEU 19 -1.308 11.654 2.718 117 HB2 LEU 19 1HB LEU 19 -1.129 9.869 0.357 118 HB3 LEU 19 2HB LEU 19 -0.164 11.343 0.333 119 HG LEU 19 HG LEU 19 0.679 10.514 2.651 120 HD11 LEU 19 1HD1 LEU 19 -0.425 8.651 3.275 121 HD12 LEU 19 2HD1 LEU 19 0.779 7.855 2.262 122 HD13 LEU 19 3HD1 LEU 19 -0.826 8.201 1.618 123 HD21 LEU 19 3HD2 LEU 19 1.804 10.597 0.280 124 HD22 LEU 19 1HD2 LEU 19 1.667 8.842 0.393 125 HD23 LEU 19 2HD2 LEU 19 2.570 9.736 1.616 126 H SER 20 H SER 20 -1.198 13.767 2.247 127 HA SER 20 HA SER 20 -2.752 14.746 -0.058 128 HB2 SER 20 1HB SER 20 -3.221 16.793 1.334 129 HB3 SER 20 2HB SER 20 -3.994 15.319 1.918 130 HG SER 20 HG SER 20 -2.766 15.345 3.648 131 H LYS 21 H LYS 21 -1.660 15.956 -1.458 132 HA LYS 21 HA LYS 21 0.734 17.391 -0.555 133 HB2 LYS 21 1HB LYS 21 2.057 16.607 -2.387 134 HB3 LYS 21 2HB LYS 21 1.381 15.195 -1.585 135 HG2 LYS 21 1HG LYS 21 -0.067 14.735 -3.325 136 HG3 LYS 21 2HG LYS 21 -0.013 16.388 -3.942 137 HD2 LYS 21 1HD LYS 21 2.247 16.060 -4.733 138 HD3 LYS 21 2HD LYS 21 2.301 14.451 -4.009 139 HE2 LYS 21 1HE LYS 21 0.546 13.694 -5.507 140 HE3 LYS 21 2HE LYS 21 0.407 15.312 -6.194 141 HZ1 LYS 21 3HZ LYS 21 2.021 13.296 -7.098 142 HZ2 LYS 21 1HZ LYS 21 3.086 14.342 -6.302 143 HZ3 LYS 21 2HZ LYS 21 2.104 14.924 -7.550 144 H GLN 22 H GLN 22 1.540 18.875 -2.382 145 HA GLN 22 HA GLN 22 -0.784 20.334 -3.374 146 HB2 GLN 22 1HB GLN 22 2.130 21.136 -3.328 147 HB3 GLN 22 2HB GLN 22 0.779 22.177 -3.759 148 HG2 GLN 22 1HG GLN 22 1.357 20.977 -1.063 149 HG3 GLN 22 2HG GLN 22 1.469 22.674 -1.524 150 HE21 GLN 22 1HE2 GLN 22 -0.381 20.477 0.040 151 HE22 GLN 22 2HE2 GLN 22 -1.919 21.257 -0.063 152 H GLU 23 H GLU 23 -1.138 20.825 -5.514 153 HA GLU 23 HA GLU 23 -0.527 18.984 -7.457 154 HB2 GLU 23 1HB GLU 23 -2.163 21.069 -7.412 155 HB3 GLU 23 2HB GLU 23 -0.847 21.829 -8.295 156 HG2 GLU 23 1HG GLU 23 -1.001 19.668 -9.768 157 HG3 GLU 23 2HG GLU 23 -2.632 19.593 -9.104 158 H GLY 24 H GLY 24 1.297 18.423 -8.433 159 HA2 GLY 24 1HA GLY 24 3.211 18.827 -9.749 160 HA3 GLY 24 2HA GLY 24 3.238 20.483 -9.162 161 H GLN 25 H GLN 25 3.056 19.851 -6.377 162 HA GLN 25 HA GLN 25 5.806 19.463 -5.816 163 HB2 GLN 25 1HB GLN 25 4.312 20.842 -4.413 164 HB3 GLN 25 2HB GLN 25 3.450 19.389 -3.922 165 HG2 GLN 25 1HG GLN 25 4.985 20.054 -2.195 166 HG3 GLN 25 2HG GLN 25 5.511 18.529 -2.905 167 HE21 GLN 25 1HE2 GLN 25 6.543 21.444 -1.837 168 HE22 GLN 25 2HE2 GLN 25 8.019 21.580 -2.724 169 H ASN 26 H ASN 26 6.678 17.811 -4.344 170 HA ASN 26 HA ASN 26 5.727 15.175 -5.140 171 HB2 ASN 26 1HB ASN 26 8.274 16.245 -3.983 172 HB3 ASN 26 2HB ASN 26 7.905 14.531 -3.813 173 HD21 ASN 26 1HD2 ASN 26 10.021 15.874 -5.317 174 HD22 ASN 26 2HD2 ASN 26 9.846 15.348 -6.953 175 H TYR 27 H TYR 27 6.023 13.428 -3.364 176 HA TYR 27 HA TYR 27 4.376 14.267 -1.108 177 HB2 TYR 27 1HB TYR 27 4.954 11.684 -2.466 178 HB3 TYR 27 2HB TYR 27 4.550 11.623 -0.754 179 HD1 TYR 27 2HD TYR 27 2.425 13.175 -0.147 180 HD2 TYR 27 1HD TYR 27 3.210 11.425 -3.944 181 HE1 TYR 27 2HE TYR 27 0.033 13.320 -0.701 182 HE2 TYR 27 1HE TYR 27 0.821 11.566 -4.510 183 HH TYR 27 HH TYR 27 -1.575 12.167 -2.233 184 H GLY 28 H GLY 28 7.475 12.675 -1.761 185 HA2 GLY 28 1HA GLY 28 9.296 13.450 -0.226 186 HA3 GLY 28 2HA GLY 28 8.177 13.090 1.080 187 H PHE 29 H PHE 29 7.192 10.659 -0.267 188 HA PHE 29 HA PHE 29 9.500 8.935 0.337 189 HB2 PHE 29 1HB PHE 29 8.086 7.388 1.291 190 HB3 PHE 29 2HB PHE 29 7.208 8.871 1.652 191 HD1 PHE 29 1HD PHE 29 5.412 9.585 -0.074 192 HD2 PHE 29 2HD PHE 29 7.010 5.651 0.219 193 HE1 PHE 29 1HE PHE 29 3.433 8.698 -1.237 194 HE2 PHE 29 2HE PHE 29 5.035 4.758 -0.945 195 HZ PHE 29 HZ PHE 29 3.243 6.282 -1.675 196 H PHE 30 H PHE 30 9.259 6.701 -0.777 197 HA PHE 30 HA PHE 30 8.211 6.927 -3.493 198 HB2 PHE 30 1HB PHE 30 11.089 6.194 -2.911 199 HB3 PHE 30 2HB PHE 30 10.322 6.194 -4.496 200 HD1 PHE 30 1HD PHE 30 9.017 8.584 -4.899 201 HD2 PHE 30 2HD PHE 30 12.520 7.939 -2.568 202 HE1 PHE 30 1HE PHE 30 9.653 10.941 -5.209 203 HE2 PHE 30 2HE PHE 30 13.161 10.295 -2.873 204 HZ PHE 30 HZ PHE 30 11.727 11.799 -4.194 205 H LEU 31 H LEU 31 8.260 4.834 -4.649 206 HA LEU 31 HA LEU 31 7.810 2.640 -2.754 207 HB2 LEU 31 1HB LEU 31 6.815 3.194 -5.530 208 HB3 LEU 31 2HB LEU 31 6.691 1.591 -4.807 209 HG LEU 31 HG LEU 31 5.508 4.030 -3.504 210 HD11 LEU 31 1HD1 LEU 31 4.404 4.026 -5.566 211 HD12 LEU 31 2HD1 LEU 31 3.337 3.122 -4.493 212 HD13 LEU 31 3HD1 LEU 31 4.362 2.265 -5.643 213 HD21 LEU 31 3HD2 LEU 31 5.912 1.500 -2.562 214 HD22 LEU 31 1HD2 LEU 31 4.271 1.396 -3.200 215 HD23 LEU 31 2HD2 LEU 31 4.669 2.612 -1.987 216 H ARG 32 H ARG 32 9.285 1.096 -2.596 217 HA ARG 32 HA ARG 32 11.230 0.770 -4.771 218 HB2 ARG 32 1HB ARG 32 11.309 0.146 -1.830 219 HB3 ARG 32 2HB ARG 32 12.455 -0.586 -2.946 220 HG2 ARG 32 1HG ARG 32 12.072 2.385 -2.764 221 HG3 ARG 32 2HG ARG 32 13.203 1.508 -1.731 222 HD2 ARG 32 1HD ARG 32 13.251 1.274 -4.727 223 HD3 ARG 32 2HD ARG 32 14.132 2.538 -3.870 224 HE ARG 32 HE ARG 32 14.956 0.288 -2.632 225 HH11 ARG 32 1HH1 ARG 32 14.772 1.224 -5.980 226 HH12 ARG 32 2HH1 ARG 32 16.126 0.256 -6.460 227 HH21 ARG 32 1HH2 ARG 32 16.741 -0.990 -3.251 228 HH22 ARG 32 2HH2 ARG 32 17.245 -1.003 -4.907 229 H ILE 33 H ILE 33 12.060 -1.523 -5.036 230 HA ILE 33 HA ILE 33 9.903 -3.494 -4.711 231 HB ILE 33 HB ILE 33 10.463 -4.396 -6.974 232 HG12 ILE 33 1HG1 ILE 33 11.464 -2.409 -8.448 233 HG13 ILE 33 2HG1 ILE 33 12.252 -2.014 -6.925 234 HG21 ILE 33 1HG2 ILE 33 9.158 -2.735 -8.200 235 HG22 ILE 33 2HG2 ILE 33 8.481 -3.023 -6.599 236 HG23 ILE 33 3HG2 ILE 33 9.424 -1.566 -6.907 237 HD11 ILE 33 3HD1 ILE 33 12.653 -4.733 -7.195 238 HD12 ILE 33 1HD1 ILE 33 12.844 -4.102 -8.831 239 HD13 ILE 33 2HD1 ILE 33 13.826 -3.456 -7.516 240 H GLU 34 H GLU 34 10.544 -5.569 -4.289 241 HA GLU 34 HA GLU 34 13.436 -6.100 -4.227 242 HB2 GLU 34 1HB GLU 34 11.445 -6.304 -2.024 243 HB3 GLU 34 2HB GLU 34 12.680 -7.553 -2.120 244 HG2 GLU 34 1HG GLU 34 13.334 -4.623 -2.110 245 HG3 GLU 34 2HG GLU 34 13.182 -5.577 -0.635 246 H LYS 35 H LYS 35 13.929 -8.455 -4.052 247 HA LYS 35 HA LYS 35 12.230 -9.913 -5.906 248 HB2 LYS 35 1HB LYS 35 14.724 -9.823 -6.156 249 HB3 LYS 35 2HB LYS 35 14.856 -10.769 -4.680 250 HG2 LYS 35 1HG LYS 35 13.635 -12.599 -5.737 251 HG3 LYS 35 2HG LYS 35 13.494 -11.649 -7.218 252 HD2 LYS 35 1HD LYS 35 16.202 -12.100 -6.062 253 HD3 LYS 35 2HD LYS 35 15.414 -13.431 -6.911 254 HE2 LYS 35 1HE LYS 35 15.057 -11.866 -8.837 255 HE3 LYS 35 2HE LYS 35 16.065 -10.693 -7.990 256 HZ1 LYS 35 3HZ LYS 35 16.856 -13.331 -9.072 257 HZ2 LYS 35 1HZ LYS 35 17.808 -12.499 -7.948 258 HZ3 LYS 35 2HZ LYS 35 17.485 -11.810 -9.459 259 H ASP 36 H ASP 36 11.262 -11.890 -5.490 260 HA ASP 36 HA ASP 36 10.054 -13.372 -4.250 261 HB2 ASP 36 1HB ASP 36 12.735 -13.314 -2.936 262 HB3 ASP 36 2HB ASP 36 11.435 -14.203 -2.149 263 H THR 37 H THR 37 9.469 -10.666 -3.748 264 HA THR 37 HA THR 37 8.824 -10.713 -0.872 265 HB THR 37 HB THR 37 8.437 -8.127 -1.452 266 HG1 THR 37 1HG THR 37 9.195 -8.577 -3.670 267 HG21 THR 37 3HG2 THR 37 9.848 -8.853 0.343 268 HG22 THR 37 1HG2 THR 37 10.777 -7.730 -0.650 269 HG23 THR 37 2HG2 THR 37 11.057 -9.466 -0.785 270 H ASP 38 H ASP 38 6.856 -9.103 -0.502 271 HA ASP 38 HA ASP 38 4.771 -9.784 -2.469 272 HB2 ASP 38 1HB ASP 38 4.570 -11.176 -0.436 273 HB3 ASP 38 2HB ASP 38 4.456 -9.713 0.540 274 H GLY 39 H GLY 39 3.631 -8.115 -3.222 275 HA2 GLY 39 1HA GLY 39 2.638 -6.034 -3.335 276 HA3 GLY 39 2HA GLY 39 3.011 -5.814 -1.632 277 H HIS 40 H HIS 40 3.823 -3.773 -1.697 278 HA HIS 40 HA HIS 40 6.349 -3.443 -3.165 279 HB2 HIS 40 1HB HIS 40 3.924 -1.722 -3.226 280 HB3 HIS 40 2HB HIS 40 5.487 -0.911 -3.208 281 HD1 HIS 40 1HD HIS 40 7.086 -1.416 -5.254 282 HD2 HIS 40 2HD HIS 40 3.203 -2.843 -5.635 283 HE1 HIS 40 1HE HIS 40 6.804 -1.955 -7.694 284 HE2 HIS 40 2HE HIS 40 4.419 -2.736 -7.915 285 H LEU 41 H LEU 41 7.988 -2.611 -2.006 286 HA LEU 41 HA LEU 41 7.533 -2.099 0.809 287 HB2 LEU 41 1HB LEU 41 10.060 -2.189 -0.831 288 HB3 LEU 41 2HB LEU 41 10.007 -1.954 0.915 289 HG LEU 41 HG LEU 41 8.733 -4.392 -0.227 290 HD11 LEU 41 1HD1 LEU 41 11.705 -4.029 0.125 291 HD12 LEU 41 2HD1 LEU 41 10.854 -4.331 -1.390 292 HD13 LEU 41 3HD1 LEU 41 10.889 -5.571 -0.137 293 HD21 LEU 41 3HD2 LEU 41 10.460 -4.536 2.129 294 HD22 LEU 41 1HD2 LEU 41 8.811 -5.115 1.890 295 HD23 LEU 41 2HD2 LEU 41 9.101 -3.424 2.300 296 H ILE 42 H ILE 42 8.143 -0.199 1.901 297 HA ILE 42 HA ILE 42 8.325 2.182 0.172 298 HB ILE 42 HB ILE 42 7.040 1.950 2.896 299 HG12 ILE 42 1HG1 ILE 42 5.675 2.707 0.325 300 HG13 ILE 42 2HG1 ILE 42 5.863 1.018 0.785 301 HG21 ILE 42 1HG2 ILE 42 6.327 4.368 1.706 302 HG22 ILE 42 2HG2 ILE 42 7.405 4.134 3.081 303 HG23 ILE 42 3HG2 ILE 42 8.065 4.221 1.449 304 HD11 ILE 42 3HD1 ILE 42 4.390 3.157 2.298 305 HD12 ILE 42 1HD1 ILE 42 3.699 1.772 1.455 306 HD13 ILE 42 2HD1 ILE 42 4.678 1.525 2.901 307 H ARG 43 H ARG 43 9.995 3.526 0.463 308 HA ARG 43 HA ARG 43 11.399 3.676 2.981 309 HB2 ARG 43 1HB ARG 43 12.519 2.262 0.612 310 HB3 ARG 43 2HB ARG 43 13.608 3.280 1.545 311 HG2 ARG 43 1HG ARG 43 12.944 2.013 3.581 312 HG3 ARG 43 2HG ARG 43 12.023 0.926 2.540 313 HD2 ARG 43 1HD ARG 43 14.093 -0.139 2.872 314 HD3 ARG 43 2HD ARG 43 14.185 0.565 1.259 315 HE ARG 43 HE ARG 43 15.955 1.791 1.988 316 HH11 ARG 43 1HH1 ARG 43 14.003 0.944 4.744 317 HH12 ARG 43 2HH1 ARG 43 15.077 1.671 5.892 318 HH21 ARG 43 1HH2 ARG 43 17.377 2.752 3.491 319 HH22 ARG 43 2HH2 ARG 43 16.996 2.700 5.178 320 H VAL 44 H VAL 44 13.394 5.186 2.679 321 HA VAL 44 HA VAL 44 14.233 7.222 2.091 322 HB VAL 44 HB VAL 44 12.541 7.137 -0.399 323 HG11 VAL 44 1HG1 VAL 44 13.522 9.188 -0.441 324 HG12 VAL 44 2HG1 VAL 44 14.889 8.679 0.553 325 HG13 VAL 44 3HG1 VAL 44 14.833 8.251 -1.158 326 HG21 VAL 44 3HG2 VAL 44 14.375 5.975 -1.512 327 HG22 VAL 44 1HG2 VAL 44 15.248 5.870 0.016 328 HG23 VAL 44 2HG2 VAL 44 13.727 5.002 -0.192 329 H ILE 45 H ILE 45 12.198 7.248 3.869 330 HA ILE 45 HA ILE 45 10.190 9.167 3.020 331 HB ILE 45 HB ILE 45 10.660 7.948 5.744 332 HG12 ILE 45 1HG1 ILE 45 8.553 7.245 3.693 333 HG13 ILE 45 2HG1 ILE 45 10.052 6.344 3.901 334 HG21 ILE 45 1HG2 ILE 45 8.000 8.962 5.063 335 HG22 ILE 45 2HG2 ILE 45 8.939 9.140 6.544 336 HG23 ILE 45 3HG2 ILE 45 9.245 10.207 5.173 337 HD11 ILE 45 3HD1 ILE 45 9.173 5.174 5.554 338 HD12 ILE 45 1HD1 ILE 45 8.730 6.642 6.424 339 HD13 ILE 45 2HD1 ILE 45 7.628 5.959 5.229 340 H GLU 46 H GLU 46 10.986 11.176 2.771 341 HA GLU 46 HA GLU 46 13.090 12.298 4.267 342 HB2 GLU 46 1HB GLU 46 12.006 13.020 1.989 343 HB3 GLU 46 2HB GLU 46 10.977 14.010 3.015 344 HG2 GLU 46 1HG GLU 46 12.727 15.414 2.367 345 HG3 GLU 46 2HG GLU 46 13.113 14.934 4.019 346 H GLU 47 H GLU 47 13.042 13.975 5.844 347 HA GLU 47 HA GLU 47 11.052 13.560 7.859 348 HB2 GLU 47 1HB GLU 47 13.479 14.030 8.310 349 HB3 GLU 47 2HB GLU 47 13.198 15.684 7.787 350 HG2 GLU 47 1HG GLU 47 11.449 15.844 9.582 351 HG3 GLU 47 2HG GLU 47 12.024 14.286 10.173 352 H GLY 48 H GLY 48 9.753 15.244 8.835 353 HA2 GLY 48 1HA GLY 48 8.085 16.816 8.647 354 HA3 GLY 48 2HA GLY 48 9.333 17.798 7.893 355 H SER 49 H SER 49 8.293 14.793 6.471 356 HA SER 49 HA SER 49 7.223 16.305 4.200 357 HB2 SER 49 1HB SER 49 7.808 14.530 2.829 358 HB3 SER 49 2HB SER 49 9.055 14.420 4.070 359 HG SER 49 HG SER 49 7.599 12.883 5.127 360 HA PRO 50 HA PRO 50 3.056 15.145 4.947 361 HB2 PRO 50 1HB PRO 50 2.117 14.902 2.412 362 HB3 PRO 50 2HB PRO 50 2.495 16.462 3.150 363 HG2 PRO 50 1HG PRO 50 4.132 14.814 1.263 364 HG3 PRO 50 2HG PRO 50 3.854 16.566 1.267 365 HD2 PRO 50 1HD PRO 50 6.120 15.447 2.241 366 HD3 PRO 50 2HD PRO 50 5.426 16.938 2.911 367 H ALA 51 H ALA 51 5.253 13.034 3.472 368 HA ALA 51 HA ALA 51 3.373 10.867 3.059 369 HB1 ALA 51 3HB ALA 51 6.321 10.447 3.019 370 HB2 ALA 51 1HB ALA 51 5.066 9.746 1.997 371 HB3 ALA 51 2HB ALA 51 5.581 11.414 1.744 372 H GLU 52 H GLU 52 5.558 11.988 5.512 373 HA GLU 52 HA GLU 52 5.462 9.474 6.972 374 HB2 GLU 52 1HB GLU 52 7.516 10.983 6.822 375 HB3 GLU 52 2HB GLU 52 6.674 12.065 7.922 376 HG2 GLU 52 1HG GLU 52 6.681 10.467 9.658 377 HG3 GLU 52 2HG GLU 52 7.179 9.177 8.564 378 H LYS 53 H LYS 53 4.274 12.790 7.267 379 HA LYS 53 HA LYS 53 3.212 12.851 9.767 380 HB2 LYS 53 1HB LYS 53 1.557 14.417 8.953 381 HB3 LYS 53 2HB LYS 53 3.080 14.698 8.119 382 HG2 LYS 53 1HG LYS 53 2.281 13.636 6.141 383 HG3 LYS 53 2HG LYS 53 0.826 13.072 6.967 384 HD2 LYS 53 1HD LYS 53 0.122 15.406 7.287 385 HD3 LYS 53 2HD LYS 53 1.563 15.949 6.424 386 HE2 LYS 53 1HE LYS 53 -0.499 15.890 5.028 387 HE3 LYS 53 2HE LYS 53 0.824 14.909 4.400 388 HZ1 LYS 53 3HZ LYS 53 -1.245 13.709 4.257 389 HZ2 LYS 53 1HZ LYS 53 -1.531 13.914 5.912 390 HZ3 LYS 53 2HZ LYS 53 -0.240 12.954 5.389 391 H ALA 54 H ALA 54 2.229 10.819 7.167 392 HA ALA 54 HA ALA 54 -0.314 10.138 8.409 393 HB1 ALA 54 3HB ALA 54 -0.466 8.543 6.445 394 HB2 ALA 54 1HB ALA 54 -0.434 10.264 6.059 395 HB3 ALA 54 2HB ALA 54 1.020 9.286 5.854 396 H GLY 55 H GLY 55 2.119 9.569 9.873 397 HA2 GLY 55 1HA GLY 55 3.112 7.870 11.060 398 HA3 GLY 55 2HA GLY 55 1.556 7.068 10.905 399 H LEU 56 H LEU 56 3.298 7.843 8.026 400 HA LEU 56 HA LEU 56 3.541 5.033 7.395 401 HB2 LEU 56 1HB LEU 56 2.915 7.073 5.855 402 HB3 LEU 56 2HB LEU 56 4.663 7.183 5.664 403 HG LEU 56 HG LEU 56 4.661 4.833 4.846 404 HD11 LEU 56 1HD1 LEU 56 1.795 4.882 4.249 405 HD12 LEU 56 2HD1 LEU 56 2.183 4.671 5.956 406 HD13 LEU 56 3HD1 LEU 56 2.829 3.548 4.760 407 HD21 LEU 56 3HD2 LEU 56 3.894 5.367 2.644 408 HD22 LEU 56 1HD2 LEU 56 4.601 6.823 3.344 409 HD23 LEU 56 2HD2 LEU 56 2.848 6.646 3.262 410 H LEU 57 H LEU 57 5.280 3.838 7.761 411 HA LEU 57 HA LEU 57 7.894 5.177 7.980 412 HB2 LEU 57 1HB LEU 57 6.647 3.103 9.740 413 HB3 LEU 57 2HB LEU 57 8.400 3.220 9.602 414 HG LEU 57 HG LEU 57 8.058 5.693 10.272 415 HD11 LEU 57 1HD1 LEU 57 5.764 4.974 11.885 416 HD12 LEU 57 2HD1 LEU 57 5.397 4.940 10.161 417 HD13 LEU 57 3HD1 LEU 57 6.046 6.406 10.895 418 HD21 LEU 57 3HD2 LEU 57 9.130 4.743 11.983 419 HD22 LEU 57 1HD2 LEU 57 8.214 3.243 11.835 420 HD23 LEU 57 2HD2 LEU 57 7.545 4.598 12.745 421 H ASP 58 H ASP 58 9.713 3.969 7.308 422 HA ASP 58 HA ASP 58 9.450 2.529 4.971 423 HB2 ASP 58 1HB ASP 58 11.787 1.826 5.304 424 HB3 ASP 58 2HB ASP 58 11.564 3.533 5.677 425 H GLY 59 H GLY 59 9.797 0.290 4.464 426 HA2 GLY 59 1HA GLY 59 9.853 -2.010 4.985 427 HA3 GLY 59 2HA GLY 59 9.429 -1.620 6.646 428 H ASP 60 H ASP 60 7.199 0.091 5.925 429 HA ASP 60 HA ASP 60 5.125 -1.768 5.969 430 HB2 ASP 60 1HB ASP 60 5.214 1.165 5.300 431 HB3 ASP 60 2HB ASP 60 3.704 0.259 5.237 432 H ARG 61 H ARG 61 3.596 -2.413 4.416 433 HA ARG 61 HA ARG 61 4.519 -2.159 1.628 434 HB2 ARG 61 1HB ARG 61 3.531 -4.497 3.187 435 HB3 ARG 61 2HB ARG 61 3.099 -4.408 1.485 436 HG2 ARG 61 1HG ARG 61 5.035 -5.598 1.347 437 HG3 ARG 61 2HG ARG 61 5.674 -3.960 1.195 438 HD2 ARG 61 1HD ARG 61 7.076 -4.750 2.807 439 HD3 ARG 61 2HD ARG 61 5.773 -4.153 3.834 440 HE ARG 61 HE ARG 61 5.306 -6.312 4.437 441 HH11 ARG 61 1HH1 ARG 61 7.338 -6.327 1.610 442 HH12 ARG 61 2HH1 ARG 61 7.597 -8.040 1.645 443 HH21 ARG 61 1HH2 ARG 61 5.638 -8.568 4.494 444 HH22 ARG 61 2HH2 ARG 61 6.629 -9.314 3.285 445 H VAL 62 H VAL 62 3.061 -1.603 0.084 446 HA VAL 62 HA VAL 62 0.495 -0.607 1.008 447 HB VAL 62 HB VAL 62 1.507 0.934 -0.414 448 HG11 VAL 62 1HG1 VAL 62 3.306 0.037 -1.456 449 HG12 VAL 62 2HG1 VAL 62 2.470 -1.468 -1.844 450 HG13 VAL 62 3HG1 VAL 62 2.189 -0.026 -2.819 451 HG21 VAL 62 3HG2 VAL 62 0.025 -0.287 -2.638 452 HG22 VAL 62 1HG2 VAL 62 -0.881 -0.132 -1.133 453 HG23 VAL 62 2HG2 VAL 62 -0.162 1.294 -1.880 454 H LEU 63 H LEU 63 -1.323 -1.733 0.880 455 HA LEU 63 HA LEU 63 -1.397 -4.220 -0.599 456 HB2 LEU 63 1HB LEU 63 -3.537 -2.895 1.060 457 HB3 LEU 63 2HB LEU 63 -3.563 -4.550 0.454 458 HG LEU 63 HG LEU 63 -1.406 -3.624 2.322 459 HD11 LEU 63 1HD1 LEU 63 -4.236 -3.957 2.913 460 HD12 LEU 63 2HD1 LEU 63 -2.948 -3.252 3.888 461 HD13 LEU 63 3HD1 LEU 63 -3.197 -4.998 3.887 462 HD21 LEU 63 3HD2 LEU 63 -2.600 -6.346 2.269 463 HD22 LEU 63 1HD2 LEU 63 -0.943 -5.842 2.600 464 HD23 LEU 63 2HD2 LEU 63 -1.541 -5.870 0.940 465 H ARG 64 H ARG 64 -3.318 -1.219 -0.529 466 HA ARG 64 HA ARG 64 -3.956 -1.667 -3.363 467 HB2 ARG 64 1HB ARG 64 -5.899 -0.818 -1.208 468 HB3 ARG 64 2HB ARG 64 -6.246 -0.789 -2.932 469 HG2 ARG 64 1HG ARG 64 -6.013 -3.189 -3.060 470 HG3 ARG 64 2HG ARG 64 -5.542 -3.258 -1.360 471 HD2 ARG 64 1HD ARG 64 -7.670 -2.879 -0.613 472 HD3 ARG 64 2HD ARG 64 -8.124 -1.956 -2.046 473 HE ARG 64 HE ARG 64 -8.286 -4.824 -1.691 474 HH11 ARG 64 1HH1 ARG 64 -8.304 -2.154 -3.925 475 HH12 ARG 64 2HH1 ARG 64 -9.124 -3.033 -5.172 476 HH21 ARG 64 1HH2 ARG 64 -9.366 -5.992 -3.325 477 HH22 ARG 64 2HH2 ARG 64 -9.729 -5.216 -4.830 478 H ILE 65 H ILE 65 -3.801 0.096 -4.637 479 HA ILE 65 HA ILE 65 -3.061 2.620 -3.325 480 HB ILE 65 HB ILE 65 -1.521 1.412 -5.038 481 HG12 ILE 65 1HG1 ILE 65 -0.965 3.579 -4.172 482 HG13 ILE 65 2HG1 ILE 65 -0.770 3.645 -5.920 483 HG21 ILE 65 1HG2 ILE 65 -3.352 1.140 -6.709 484 HG22 ILE 65 2HG2 ILE 65 -3.323 2.886 -6.949 485 HG23 ILE 65 3HG2 ILE 65 -1.903 1.918 -7.345 486 HD11 ILE 65 3HD1 ILE 65 -3.145 4.600 -5.948 487 HD12 ILE 65 1HD1 ILE 65 -2.908 4.863 -4.221 488 HD13 ILE 65 2HD1 ILE 65 -1.834 5.637 -5.387 489 H ASN 66 H ASN 66 -4.475 4.228 -3.351 490 HA ASN 66 HA ASN 66 -6.365 5.428 -3.798 491 HB2 ASN 66 1HB ASN 66 -4.717 5.820 -5.802 492 HB3 ASN 66 2HB ASN 66 -5.918 4.913 -6.716 493 HD21 ASN 66 1HD2 ASN 66 -5.988 7.429 -4.210 494 HD22 ASN 66 2HD2 ASN 66 -7.081 8.471 -5.050 495 H GLY 67 H GLY 67 -6.714 2.545 -3.466 496 HA2 GLY 67 1HA GLY 67 -8.676 1.282 -3.388 497 HA3 GLY 67 2HA GLY 67 -9.402 2.380 -4.552 498 H VAL 68 H VAL 68 -6.393 0.510 -4.766 499 HA VAL 68 HA VAL 68 -7.555 -1.323 -6.679 500 HB VAL 68 HB VAL 68 -5.379 0.588 -7.543 501 HG11 VAL 68 1HG1 VAL 68 -4.759 -0.946 -9.021 502 HG12 VAL 68 2HG1 VAL 68 -5.975 -2.064 -8.399 503 HG13 VAL 68 3HG1 VAL 68 -6.387 -0.942 -9.697 504 HG21 VAL 68 3HG2 VAL 68 -7.615 1.583 -7.572 505 HG22 VAL 68 1HG2 VAL 68 -6.995 1.347 -9.206 506 HG23 VAL 68 2HG2 VAL 68 -8.202 0.240 -8.552 507 H PHE 69 H PHE 69 -6.810 -3.200 -5.955 508 HA PHE 69 HA PHE 69 -4.511 -3.523 -4.370 509 HB2 PHE 69 1HB PHE 69 -6.572 -5.074 -4.652 510 HB3 PHE 69 2HB PHE 69 -5.679 -5.756 -6.008 511 HD1 PHE 69 2HD PHE 69 -4.803 -4.693 -2.536 512 HD2 PHE 69 1HD PHE 69 -4.694 -7.753 -5.492 513 HE1 PHE 69 2HE PHE 69 -3.565 -6.144 -0.983 514 HE2 PHE 69 1HE PHE 69 -3.456 -9.210 -3.943 515 HZ PHE 69 HZ PHE 69 -2.889 -8.405 -1.686 516 H VAL 70 H VAL 70 -2.575 -2.927 -5.156 517 HA VAL 70 HA VAL 70 -1.778 -3.933 -7.806 518 HB VAL 70 HB VAL 70 -0.040 -2.213 -7.804 519 HG11 VAL 70 1HG1 VAL 70 -1.532 -0.883 -8.770 520 HG12 VAL 70 2HG1 VAL 70 -2.826 -1.784 -7.978 521 HG13 VAL 70 3HG1 VAL 70 -2.129 -0.367 -7.193 522 HG21 VAL 70 3HG2 VAL 70 0.536 -1.928 -5.549 523 HG22 VAL 70 1HG2 VAL 70 -0.243 -0.412 -6.001 524 HG23 VAL 70 2HG2 VAL 70 -1.132 -1.617 -5.070 525 H ASP 71 H ASP 71 -1.760 -5.628 -5.518 526 HA ASP 71 HA ASP 71 0.847 -5.797 -4.390 527 HB2 ASP 71 1HB ASP 71 -1.094 -6.750 -3.251 528 HB3 ASP 71 2HB ASP 71 -1.340 -7.879 -4.581 529 H LYS 72 H LYS 72 -0.806 -7.625 -6.953 530 HA LYS 72 HA LYS 72 1.644 -9.024 -7.627 531 HB2 LYS 72 1HB LYS 72 -1.202 -9.167 -8.560 532 HB3 LYS 72 2HB LYS 72 0.074 -9.899 -9.524 533 HG2 LYS 72 1HG LYS 72 -0.435 -10.538 -6.628 534 HG3 LYS 72 2HG LYS 72 -1.068 -11.472 -7.985 535 HD2 LYS 72 1HD LYS 72 1.465 -11.512 -8.706 536 HD3 LYS 72 2HD LYS 72 1.729 -11.219 -6.985 537 HE2 LYS 72 1HE LYS 72 1.779 -13.567 -7.279 538 HE3 LYS 72 2HE LYS 72 0.223 -13.192 -6.541 539 HZ1 LYS 72 3HZ LYS 72 0.713 -14.550 -8.931 540 HZ2 LYS 72 1HZ LYS 72 -0.065 -13.100 -9.327 541 HZ3 LYS 72 2HZ LYS 72 -0.781 -14.173 -8.233 542 H GLU 73 H GLU 73 -0.098 -6.231 -8.633 543 HA GLU 73 HA GLU 73 0.602 -5.969 -11.294 544 HB2 GLU 73 1HB GLU 73 0.291 -3.883 -9.137 545 HB3 GLU 73 2HB GLU 73 0.551 -3.472 -10.826 546 HG2 GLU 73 1HG GLU 73 -1.497 -4.869 -11.337 547 HG3 GLU 73 2HG GLU 73 -1.797 -4.880 -9.600 548 H GLU 74 H GLU 74 2.176 -4.119 -12.038 549 HA GLU 74 HA GLU 74 4.813 -4.819 -10.952 550 HB2 GLU 74 1HB GLU 74 4.287 -5.254 -13.388 551 HB3 GLU 74 2HB GLU 74 4.223 -3.511 -13.606 552 HG2 GLU 74 1HG GLU 74 6.578 -3.456 -12.663 553 HG3 GLU 74 2HG GLU 74 6.584 -5.207 -12.871 554 H HIS 75 H HIS 75 6.440 -3.152 -10.793 555 HA HIS 75 HA HIS 75 5.768 -0.977 -9.293 556 HB2 HIS 75 1HB HIS 75 8.073 -1.733 -9.548 557 HB3 HIS 75 2HB HIS 75 8.085 -1.199 -11.226 558 HD1 HIS 75 1HD HIS 75 7.228 0.528 -7.933 559 HD2 HIS 75 2HD HIS 75 9.463 1.107 -11.387 560 HE1 HIS 75 1HE HIS 75 8.302 2.786 -7.668 561 HE2 HIS 75 2HE HIS 75 9.581 3.152 -9.808 562 H ALA 76 H ALA 76 6.392 -0.910 -12.803 563 HA ALA 76 HA ALA 76 5.804 1.774 -13.238 564 HB1 ALA 76 3HB ALA 76 6.872 0.370 -14.915 565 HB2 ALA 76 1HB ALA 76 5.380 -0.550 -15.114 566 HB3 ALA 76 2HB ALA 76 5.436 1.150 -15.578 567 H GLN 77 H GLN 77 3.665 -1.015 -13.032 568 HA GLN 77 HA GLN 77 1.324 0.260 -13.961 569 HB2 GLN 77 1HB GLN 77 1.944 -2.228 -12.455 570 HB3 GLN 77 2HB GLN 77 0.291 -1.632 -12.381 571 HG2 GLN 77 1HG GLN 77 1.838 -2.363 -14.855 572 HG3 GLN 77 2HG GLN 77 0.486 -3.245 -14.145 573 HE21 GLN 77 1HE2 GLN 77 1.455 -0.480 -15.994 574 HE22 GLN 77 2HE2 GLN 77 -0.125 -0.019 -16.521 575 H VAL 78 H VAL 78 2.625 -0.234 -10.698 576 HA VAL 78 HA VAL 78 0.466 1.012 -9.345 577 HB VAL 78 HB VAL 78 3.304 0.779 -8.345 578 HG11 VAL 78 1HG1 VAL 78 2.061 2.156 -6.895 579 HG12 VAL 78 2HG1 VAL 78 0.633 1.125 -7.009 580 HG13 VAL 78 3HG1 VAL 78 2.062 0.562 -6.141 581 HG21 VAL 78 3HG2 VAL 78 1.674 -1.296 -7.321 582 HG22 VAL 78 1HG2 VAL 78 1.499 -1.300 -9.077 583 HG23 VAL 78 2HG2 VAL 78 3.100 -1.433 -8.350 584 H VAL 79 H VAL 79 3.815 2.185 -9.744 585 HA VAL 79 HA VAL 79 3.693 4.696 -8.846 586 HB VAL 79 HB VAL 79 5.682 3.774 -9.952 587 HG11 VAL 79 1HG1 VAL 79 5.914 3.795 -12.360 588 HG12 VAL 79 2HG1 VAL 79 4.523 2.808 -11.906 589 HG13 VAL 79 3HG1 VAL 79 4.282 4.436 -12.540 590 HG21 VAL 79 3HG2 VAL 79 5.878 6.061 -9.557 591 HG22 VAL 79 1HG2 VAL 79 6.269 5.911 -11.271 592 HG23 VAL 79 2HG2 VAL 79 4.672 6.474 -10.776 593 H GLU 80 H GLU 80 2.298 3.618 -11.906 594 HA GLU 80 HA GLU 80 1.575 6.100 -12.954 595 HB2 GLU 80 1HB GLU 80 1.469 4.015 -14.241 596 HB3 GLU 80 2HB GLU 80 0.144 3.451 -13.233 597 HG2 GLU 80 1HG GLU 80 -1.116 5.518 -14.010 598 HG3 GLU 80 2HG GLU 80 0.144 5.686 -15.230 599 H LEU 81 H LEU 81 -0.276 3.903 -10.860 600 HA LEU 81 HA LEU 81 -2.633 5.361 -10.704 601 HB2 LEU 81 1HB LEU 81 -1.264 3.399 -8.940 602 HB3 LEU 81 2HB LEU 81 -2.625 4.301 -8.277 603 HG LEU 81 HG LEU 81 -3.252 2.073 -9.142 604 HD11 LEU 81 1HD1 LEU 81 -4.442 4.366 -10.696 605 HD12 LEU 81 2HD1 LEU 81 -4.878 3.912 -9.049 606 HD13 LEU 81 3HD1 LEU 81 -5.200 2.804 -10.383 607 HD21 LEU 81 3HD2 LEU 81 -3.339 1.778 -11.607 608 HD22 LEU 81 1HD2 LEU 81 -1.700 1.835 -10.958 609 HD23 LEU 81 2HD2 LEU 81 -2.374 3.244 -11.777 610 H VAL 82 H VAL 82 -0.032 5.351 -8.258 611 HA VAL 82 HA VAL 82 -0.807 7.264 -6.552 612 HB VAL 82 HB VAL 82 1.965 7.058 -7.736 613 HG11 VAL 82 1HG1 VAL 82 1.095 8.323 -5.140 614 HG12 VAL 82 2HG1 VAL 82 2.749 8.184 -5.737 615 HG13 VAL 82 3HG1 VAL 82 1.586 9.202 -6.587 616 HG21 VAL 82 3HG2 VAL 82 1.020 5.929 -5.119 617 HG22 VAL 82 1HG2 VAL 82 0.893 5.021 -6.625 618 HG23 VAL 82 2HG2 VAL 82 2.474 5.529 -6.033 619 H ARG 83 H ARG 83 0.635 7.910 -9.729 620 HA ARG 83 HA ARG 83 0.566 10.740 -9.471 621 HB2 ARG 83 1HB ARG 83 0.652 9.065 -11.988 622 HB3 ARG 83 2HB ARG 83 1.050 10.774 -11.866 623 HG2 ARG 83 1HG ARG 83 3.055 10.375 -10.820 624 HG3 ARG 83 2HG ARG 83 2.534 8.813 -10.185 625 HD2 ARG 83 1HD ARG 83 4.174 8.500 -11.943 626 HD3 ARG 83 2HD ARG 83 2.604 7.882 -12.455 627 HE ARG 83 HE ARG 83 3.175 10.598 -13.265 628 HH11 ARG 83 1HH1 ARG 83 3.345 7.220 -14.091 629 HH12 ARG 83 2HH1 ARG 83 3.450 7.508 -15.796 630 HH21 ARG 83 1HH2 ARG 83 3.312 10.990 -15.508 631 HH22 ARG 83 2HH2 ARG 83 3.432 9.653 -16.601 632 H LYS 84 H LYS 84 -1.588 8.372 -10.986 633 HA LYS 84 HA LYS 84 -3.380 10.149 -12.179 634 HB2 LYS 84 1HB LYS 84 -3.531 7.323 -11.238 635 HB3 LYS 84 2HB LYS 84 -5.035 8.140 -11.644 636 HG2 LYS 84 1HG LYS 84 -4.282 8.542 -13.883 637 HG3 LYS 84 2HG LYS 84 -2.674 7.924 -13.499 638 HD2 LYS 84 1HD LYS 84 -3.716 5.719 -12.990 639 HD3 LYS 84 2HD LYS 84 -5.257 6.366 -13.557 640 HE2 LYS 84 1HE LYS 84 -2.760 6.318 -15.240 641 HE3 LYS 84 2HE LYS 84 -3.951 5.017 -15.238 642 HZ1 LYS 84 3HZ LYS 84 -5.457 6.268 -16.349 643 HZ2 LYS 84 1HZ LYS 84 -4.059 7.021 -16.934 644 HZ3 LYS 84 2HZ LYS 84 -4.936 7.730 -15.674 645 H SER 85 H SER 85 -3.321 8.805 -8.905 646 HA SER 85 HA SER 85 -5.660 9.432 -7.798 647 HB2 SER 85 1HB SER 85 -3.319 8.812 -6.713 648 HB3 SER 85 2HB SER 85 -3.296 10.536 -6.342 649 HG SER 85 HG SER 85 -4.984 8.526 -5.392 650 H GLY 86 H GLY 86 -3.073 11.891 -7.994 651 HA2 GLY 86 1HA GLY 86 -3.728 14.050 -9.043 652 HA3 GLY 86 2HA GLY 86 -5.204 13.938 -8.096 653 H ASN 87 H ASN 87 -5.251 15.014 -6.239 654 HA ASN 87 HA ASN 87 -2.757 16.141 -5.223 655 HB2 ASN 87 1HB ASN 87 -5.545 16.738 -4.235 656 HB3 ASN 87 2HB ASN 87 -4.095 17.719 -4.043 657 HD21 ASN 87 1HD2 ASN 87 -3.038 18.130 -6.333 658 HD22 ASN 87 2HD2 ASN 87 -4.138 18.777 -7.498 659 H SER 88 H SER 88 -5.416 14.059 -4.225 660 HA SER 88 HA SER 88 -3.876 13.369 -1.807 661 HB2 SER 88 1HB SER 88 -6.016 12.860 -0.699 662 HB3 SER 88 2HB SER 88 -5.958 14.539 -1.232 663 HG SER 88 HG SER 88 -7.017 12.698 -3.022 664 H VAL 89 H VAL 89 -3.597 11.230 -1.319 665 HA VAL 89 HA VAL 89 -4.716 9.275 -3.220 666 HB VAL 89 HB VAL 89 -1.956 9.092 -2.013 667 HG11 VAL 89 1HG1 VAL 89 -2.790 6.939 -2.573 668 HG12 VAL 89 2HG1 VAL 89 -3.415 7.512 -4.121 669 HG13 VAL 89 3HG1 VAL 89 -1.674 7.405 -3.856 670 HG21 VAL 89 3HG2 VAL 89 -2.091 9.525 -4.886 671 HG22 VAL 89 1HG2 VAL 89 -2.727 10.885 -3.960 672 HG23 VAL 89 2HG2 VAL 89 -1.085 10.311 -3.670 673 H THR 90 H THR 90 -4.967 7.118 -2.405 674 HA THR 90 HA THR 90 -5.134 6.989 0.536 675 HB THR 90 HB THR 90 -7.010 5.647 -1.419 676 HG1 THR 90 1HG THR 90 -7.006 8.143 -0.296 677 HG21 THR 90 3HG2 THR 90 -6.904 4.325 0.540 678 HG22 THR 90 1HG2 THR 90 -8.352 5.315 0.714 679 HG23 THR 90 2HG2 THR 90 -6.882 5.743 1.588 680 H LEU 91 H LEU 91 -3.454 5.750 1.126 681 HA LEU 91 HA LEU 91 -2.970 3.258 -0.364 682 HB2 LEU 91 1HB LEU 91 -1.084 4.585 1.565 683 HB3 LEU 91 2HB LEU 91 -0.726 3.302 0.411 684 HG LEU 91 HG LEU 91 -1.622 5.972 -0.587 685 HD11 LEU 91 1HD1 LEU 91 0.607 6.825 -0.568 686 HD12 LEU 91 2HD1 LEU 91 1.236 5.320 0.101 687 HD13 LEU 91 3HD1 LEU 91 0.194 6.352 1.081 688 HD21 LEU 91 3HD2 LEU 91 -0.881 3.572 -1.764 689 HD22 LEU 91 1HD2 LEU 91 0.534 4.608 -1.953 690 HD23 LEU 91 2HD2 LEU 91 -1.034 5.137 -2.564 691 H LEU 92 H LEU 92 -2.897 1.309 0.693 692 HA LEU 92 HA LEU 92 -3.841 1.337 3.481 693 HB2 LEU 92 1HB LEU 92 -4.323 -0.514 1.185 694 HB3 LEU 92 2HB LEU 92 -4.468 -1.108 2.838 695 HG LEU 92 HG LEU 92 -6.026 1.253 1.804 696 HD11 LEU 92 1HD1 LEU 92 -7.614 -0.062 0.923 697 HD12 LEU 92 2HD1 LEU 92 -7.421 -1.303 2.160 698 HD13 LEU 92 3HD1 LEU 92 -6.313 -1.246 0.790 699 HD21 LEU 92 3HD2 LEU 92 -6.746 -0.573 4.068 700 HD22 LEU 92 1HD2 LEU 92 -7.286 1.076 3.749 701 HD23 LEU 92 2HD2 LEU 92 -5.640 0.780 4.309 702 H VAL 93 H VAL 93 -2.200 1.023 4.837 703 HA VAL 93 HA VAL 93 -0.083 -0.877 4.088 704 HB VAL 93 HB VAL 93 1.259 0.171 5.878 705 HG11 VAL 93 1HG1 VAL 93 0.829 2.622 4.577 706 HG12 VAL 93 2HG1 VAL 93 2.024 1.385 4.183 707 HG13 VAL 93 3HG1 VAL 93 0.442 1.365 3.403 708 HG21 VAL 93 3HG2 VAL 93 0.467 2.311 6.850 709 HG22 VAL 93 1HG2 VAL 93 -1.113 2.017 6.123 710 HG23 VAL 93 2HG2 VAL 93 -0.491 0.920 7.356 711 H LEU 94 H LEU 94 0.066 -2.767 5.105 712 HA LEU 94 HA LEU 94 -1.548 -3.169 7.532 713 HB2 LEU 94 1HB LEU 94 -2.100 -4.529 5.515 714 HB3 LEU 94 2HB LEU 94 -0.499 -5.257 5.630 715 HG LEU 94 HG LEU 94 -1.256 -5.957 8.009 716 HD11 LEU 94 1HD1 LEU 94 -3.909 -5.429 6.680 717 HD12 LEU 94 2HD1 LEU 94 -3.275 -4.635 8.120 718 HD13 LEU 94 3HD1 LEU 94 -3.682 -6.350 8.167 719 HD21 LEU 94 3HD2 LEU 94 -2.247 -8.007 7.104 720 HD22 LEU 94 1HD2 LEU 94 -0.817 -7.516 6.195 721 HD23 LEU 94 2HD2 LEU 94 -2.426 -7.224 5.533 722 H ASP 95 H ASP 95 -0.674 -4.214 9.316 723 HA ASP 95 HA ASP 95 2.104 -3.790 9.759 724 HB2 ASP 95 1HB ASP 95 1.708 -4.723 11.969 725 HB3 ASP 95 2HB ASP 95 0.401 -3.619 11.549 726 H GLY 96 H GLY 96 3.795 -5.193 9.776 727 HA2 GLY 96 1HA GLY 96 3.871 -7.386 8.127 728 HA3 GLY 96 2HA GLY 96 4.988 -7.135 9.460 729 H ASP 97 H ASP 97 3.418 -7.440 11.657 730 HA ASP 97 HA ASP 97 3.407 -10.051 12.262 731 HB2 ASP 97 1HB ASP 97 1.321 -8.031 13.106 732 HB3 ASP 97 2HB ASP 97 1.545 -9.601 13.873 733 H SER 98 H SER 98 0.454 -8.427 11.086 734 HA SER 98 HA SER 98 -0.897 -10.900 10.624 735 HB2 SER 98 1HB SER 98 -1.548 -8.078 9.747 736 HB3 SER 98 2HB SER 98 -2.622 -9.459 9.533 737 HG SER 98 HG SER 98 -2.165 -7.956 11.745 738 H TYR 99 H TYR 99 0.730 -8.531 8.561 739 HA TYR 99 HA TYR 99 0.124 -9.270 6.051 740 HB2 TYR 99 1HB TYR 99 2.011 -7.686 7.006 741 HB3 TYR 99 2HB TYR 99 3.042 -9.072 6.667 742 HD1 TYR 99 2HD TYR 99 2.879 -10.059 4.265 743 HD2 TYR 99 1HD TYR 99 1.548 -6.158 5.319 744 HE1 TYR 99 2HE TYR 99 3.024 -9.379 1.906 745 HE2 TYR 99 1HE TYR 99 1.688 -5.467 2.962 746 HH TYR 99 HH TYR 99 1.781 -7.470 0.463 747 H GLU 100 H GLU 100 2.524 -10.957 8.068 748 HA GLU 100 HA GLU 100 2.995 -13.011 6.149 749 HB2 GLU 100 1HB GLU 100 3.560 -13.043 9.118 750 HB3 GLU 100 2HB GLU 100 4.269 -14.106 7.910 751 HG2 GLU 100 1HG GLU 100 5.368 -12.199 6.864 752 HG3 GLU 100 2HG GLU 100 4.648 -11.124 8.061 753 H LYS 101 H LYS 101 0.829 -12.627 8.876 754 HA LYS 101 HA LYS 101 0.026 -15.240 9.305 755 HB2 LYS 101 1HB LYS 101 -0.672 -12.947 10.426 756 HB3 LYS 101 2HB LYS 101 -2.036 -13.078 9.323 757 HG2 LYS 101 1HG LYS 101 -2.744 -14.023 11.356 758 HG3 LYS 101 2HG LYS 101 -2.427 -15.382 10.275 759 HD2 LYS 101 1HD LYS 101 -1.343 -16.129 12.140 760 HD3 LYS 101 2HD LYS 101 -0.026 -15.227 11.387 761 HE2 LYS 101 1HE LYS 101 -1.896 -14.042 13.428 762 HE3 LYS 101 2HE LYS 101 -0.367 -14.812 13.848 763 HZ1 LYS 101 3HZ LYS 101 -0.841 -12.292 12.411 764 HZ2 LYS 101 1HZ LYS 101 0.579 -13.161 12.109 765 HZ3 LYS 101 2HZ LYS 101 0.235 -12.620 13.674 766 H ALA 102 H ALA 102 -1.157 -12.921 6.902 767 HA ALA 102 HA ALA 102 -3.203 -14.556 5.851 768 HB1 ALA 102 3HB ALA 102 -3.648 -12.608 4.885 769 HB2 ALA 102 1HB ALA 102 -2.039 -11.995 5.269 770 HB3 ALA 102 2HB ALA 102 -2.307 -12.900 3.778 771 H VAL 103 H VAL 103 -0.094 -13.714 4.310 772 HA VAL 103 HA VAL 103 -0.102 -15.475 2.234 773 HB VAL 103 HB VAL 103 2.294 -14.779 3.938 774 HG11 VAL 103 1HG1 VAL 103 2.012 -16.521 1.672 775 HG12 VAL 103 2HG1 VAL 103 3.044 -15.149 1.264 776 HG13 VAL 103 3HG1 VAL 103 3.441 -16.173 2.644 777 HG21 VAL 103 3HG2 VAL 103 0.873 -13.390 1.709 778 HG22 VAL 103 1HG2 VAL 103 1.535 -12.731 3.206 779 HG23 VAL 103 2HG2 VAL 103 2.616 -13.188 1.889 780 H LYS 104 H LYS 104 1.063 -16.163 5.524 781 HA LYS 104 HA LYS 104 1.865 -18.799 5.112 782 HB2 LYS 104 1HB LYS 104 0.832 -17.361 7.548 783 HB3 LYS 104 2HB LYS 104 1.331 -19.046 7.611 784 HG2 LYS 104 1HG LYS 104 3.181 -16.976 6.507 785 HG3 LYS 104 2HG LYS 104 3.011 -17.185 8.252 786 HD2 LYS 104 1HD LYS 104 3.528 -19.545 6.483 787 HD3 LYS 104 2HD LYS 104 4.856 -18.500 6.991 788 HE2 LYS 104 1HE LYS 104 3.928 -18.849 9.369 789 HE3 LYS 104 2HE LYS 104 3.047 -20.206 8.669 790 HZ1 LYS 104 3HZ LYS 104 4.989 -21.340 8.212 791 HZ2 LYS 104 1HZ LYS 104 5.353 -20.613 9.695 792 HZ3 LYS 104 2HZ LYS 104 5.955 -19.951 8.260 793 H ASN 105 H ASN 105 -1.297 -17.531 6.115 794 HA ASN 105 HA ASN 105 -2.469 -20.182 6.056 795 HB2 ASN 105 1HB ASN 105 -3.644 -17.452 6.613 796 HB3 ASN 105 2HB ASN 105 -4.576 -18.945 6.651 797 HD21 ASN 105 1HD2 ASN 105 -3.863 -16.950 8.740 798 HD22 ASN 105 2HD2 ASN 105 -3.160 -17.876 10.018 799 H GLN 106 H GLN 106 -1.447 -18.519 3.637 800 HA GLN 106 HA GLN 106 -2.063 -18.080 1.480 801 HB2 GLN 106 1HB GLN 106 -3.520 -20.643 2.101 802 HB3 GLN 106 2HB GLN 106 -3.513 -19.938 0.490 803 HG2 GLN 106 1HG GLN 106 -1.226 -20.284 0.215 804 HG3 GLN 106 2HG GLN 106 -0.960 -20.507 1.943 805 HE21 GLN 106 1HE2 GLN 106 -1.839 -22.446 2.922 806 HE22 GLN 106 2HE2 GLN 106 -1.955 -23.889 1.980 807 H VAL 107 H VAL 107 -3.384 -16.347 2.979 808 HA VAL 107 HA VAL 107 -6.215 -16.489 2.208 809 HB VAL 107 HB VAL 107 -4.822 -14.699 4.202 810 HG11 VAL 107 1HG1 VAL 107 -7.777 -14.881 3.650 811 HG12 VAL 107 2HG1 VAL 107 -6.949 -13.763 4.735 812 HG13 VAL 107 3HG1 VAL 107 -6.732 -13.624 2.990 813 HG21 VAL 107 3HG2 VAL 107 -5.690 -17.323 4.452 814 HG22 VAL 107 1HG2 VAL 107 -5.323 -16.205 5.765 815 HG23 VAL 107 2HG2 VAL 107 -6.979 -16.365 5.180 816 H ASP 108 H ASP 108 -7.097 -15.091 0.793 817 HA ASP 108 HA ASP 108 -5.462 -13.622 -0.962 818 HB2 ASP 108 1HB ASP 108 -8.445 -13.414 -0.497 819 HB3 ASP 108 2HB ASP 108 -7.583 -12.737 -1.876 820 H LEU 109 H LEU 109 -4.450 -11.772 -0.602 821 HA LEU 109 HA LEU 109 -5.191 -10.068 1.602 822 HB2 LEU 109 1HB LEU 109 -3.009 -9.980 -0.460 823 HB3 LEU 109 2HB LEU 109 -3.267 -8.665 0.685 824 HG LEU 109 HG LEU 109 -2.725 -11.503 1.535 825 HD11 LEU 109 1HD1 LEU 109 -0.797 -9.243 1.043 826 HD12 LEU 109 2HD1 LEU 109 -0.812 -10.833 0.280 827 HD13 LEU 109 3HD1 LEU 109 -0.412 -10.680 1.990 828 HD21 LEU 109 3HD2 LEU 109 -2.545 -8.861 2.982 829 HD22 LEU 109 1HD2 LEU 109 -2.130 -10.438 3.655 830 HD23 LEU 109 2HD2 LEU 109 -3.798 -10.084 3.202 831 H LYS 110 H LYS 110 -5.503 -10.059 -1.877 832 HA LYS 110 HA LYS 110 -6.051 -7.386 -2.368 833 HB2 LYS 110 1HB LYS 110 -7.062 -8.078 -4.395 834 HB3 LYS 110 2HB LYS 110 -5.809 -9.265 -4.056 835 HG2 LYS 110 1HG LYS 110 -7.724 -10.609 -2.948 836 HG3 LYS 110 2HG LYS 110 -8.778 -9.552 -3.891 837 HD2 LYS 110 1HD LYS 110 -6.496 -10.994 -5.193 838 HD3 LYS 110 2HD LYS 110 -8.032 -11.815 -4.905 839 HE2 LYS 110 1HE LYS 110 -9.172 -9.978 -6.134 840 HE3 LYS 110 2HE LYS 110 -7.589 -9.303 -6.514 841 HZ1 LYS 110 3HZ LYS 110 -7.255 -11.789 -7.361 842 HZ2 LYS 110 1HZ LYS 110 -7.855 -10.556 -8.351 843 HZ3 LYS 110 2HZ LYS 110 -8.921 -11.642 -7.613 844 H GLU 111 H GLU 111 -7.888 -9.685 -0.616 845 HA GLU 111 HA GLU 111 -10.450 -8.461 -0.957 846 HB2 GLU 111 1HB GLU 111 -9.480 -10.333 1.211 847 HB3 GLU 111 2HB GLU 111 -11.158 -9.920 0.884 848 HG2 GLU 111 1HG GLU 111 -9.433 -11.162 -1.222 849 HG3 GLU 111 2HG GLU 111 -10.242 -12.144 -0.003 850 H LEU 112 H LEU 112 -7.723 -7.927 1.102 851 HA LEU 112 HA LEU 112 -8.945 -6.637 3.263 852 HB2 LEU 112 1HB LEU 112 -6.257 -5.969 2.080 853 HB3 LEU 112 2HB LEU 112 -6.792 -5.686 3.735 854 HG LEU 112 HG LEU 112 -6.614 -8.470 2.639 855 HD11 LEU 112 1HD1 LEU 112 -4.411 -6.638 3.153 856 HD12 LEU 112 2HD1 LEU 112 -4.419 -8.206 2.347 857 HD13 LEU 112 3HD1 LEU 112 -4.319 -8.120 4.105 858 HD21 LEU 112 3HD2 LEU 112 -6.612 -7.199 5.361 859 HD22 LEU 112 1HD2 LEU 112 -6.084 -8.862 5.099 860 HD23 LEU 112 2HD2 LEU 112 -7.735 -8.388 4.699 861 H ASP 113 H ASP 113 -10.399 -5.061 2.980 862 HA ASP 113 HA ASP 113 -9.522 -2.565 1.814 863 HB2 ASP 113 1HB ASP 113 -10.411 -3.724 -0.152 864 HB3 ASP 113 2HB ASP 113 -11.926 -4.022 0.695 865 H GLN 114 H GLN 114 -9.957 -1.235 3.446 866 HA GLN 114 HA GLN 114 -11.507 -1.473 5.603 867 HB2 GLN 114 1HB GLN 114 -11.750 0.958 5.682 868 HB3 GLN 114 2HB GLN 114 -10.135 0.507 5.154 869 HG2 GLN 114 1HG GLN 114 -10.596 2.164 3.668 870 HG3 GLN 114 2HG GLN 114 -11.187 0.769 2.767 871 HE21 GLN 114 1HE2 GLN 114 -12.781 1.659 1.599 872 HE22 GLN 114 2HE2 GLN 114 -14.161 2.456 2.264
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