NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
545600 | 2lv8 | 18558 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -11.831 -1.688 13.162 2 H2 MET 1 2H MET 1 -11.773 -0.191 13.945 3 H3 MET 1 3H MET 1 -10.425 -1.203 13.957 4 HA MET 1 HA MET 1 -11.601 0.058 11.563 5 HB2 MET 1 2HB MET 1 -10.501 1.699 13.038 6 HB3 MET 1 3HB MET 1 -9.048 0.715 13.102 7 HG2 MET 1 2HG MET 1 -8.546 1.171 10.792 8 HG3 MET 1 3HG MET 1 -10.122 1.918 10.534 9 HE1 MET 1 3HE MET 1 -9.800 5.240 12.588 10 HE2 MET 1 1HE MET 1 -10.460 3.716 13.181 11 HE3 MET 1 2HE MET 1 -10.836 4.265 11.547 12 H LEU 2 H LEU 2 -10.878 -0.758 9.637 13 HA LEU 2 HA LEU 2 -9.147 -3.138 9.663 14 HB2 LEU 2 2HB LEU 2 -10.852 -1.993 7.408 15 HB3 LEU 2 3HB LEU 2 -10.077 -3.569 7.436 16 HG LEU 2 HG LEU 2 -12.360 -2.722 9.264 17 HD11 LEU 2 1HD1 LEU 2 -13.779 -4.209 7.941 18 HD12 LEU 2 2HD1 LEU 2 -12.442 -4.523 6.829 19 HD13 LEU 2 3HD1 LEU 2 -13.127 -2.899 6.957 20 HD21 LEU 2 3HD2 LEU 2 -10.941 -4.396 10.336 21 HD22 LEU 2 1HD2 LEU 2 -11.045 -5.441 8.913 22 HD23 LEU 2 2HD2 LEU 2 -12.485 -5.109 9.882 23 H LEU 3 H LEU 3 -7.015 -2.692 9.325 24 HA LEU 3 HA LEU 3 -6.225 -0.394 7.633 25 HB2 LEU 3 2HB LEU 3 -4.685 -1.857 9.803 26 HB3 LEU 3 3HB LEU 3 -4.043 -0.539 8.831 27 HG LEU 3 HG LEU 3 -6.346 -0.318 10.817 28 HD11 LEU 3 1HD1 LEU 3 -4.819 0.995 12.190 29 HD12 LEU 3 2HD1 LEU 3 -3.510 0.731 11.034 30 HD13 LEU 3 3HD1 LEU 3 -4.189 -0.631 11.932 31 HD21 LEU 3 3HD2 LEU 3 -6.221 2.113 10.425 32 HD22 LEU 3 1HD2 LEU 3 -6.656 1.244 8.955 33 HD23 LEU 3 2HD2 LEU 3 -5.013 1.857 9.162 34 H TYR 4 H TYR 4 -5.710 -0.986 5.684 35 HA TYR 4 HA TYR 4 -4.309 -3.529 5.130 36 HB2 TYR 4 2HB TYR 4 -6.278 -1.925 3.440 37 HB3 TYR 4 3HB TYR 4 -5.237 -3.166 2.742 38 HD1 TYR 4 HD2 TYR 4 -7.949 -2.635 5.284 39 HD2 TYR 4 HD1 TYR 4 -5.817 -5.470 2.907 40 HE1 TYR 4 HE2 TYR 4 -9.535 -4.388 5.948 41 HE2 TYR 4 HE1 TYR 4 -7.403 -7.215 3.578 42 HH TYR 4 HH TYR 4 -10.322 -6.586 5.056 43 H VAL 5 H VAL 5 -2.517 -3.467 3.923 44 HA VAL 5 HA VAL 5 -1.431 -0.887 2.978 45 HB VAL 5 HB VAL 5 0.116 -3.290 4.072 46 HG11 VAL 5 1HG1 VAL 5 2.116 -1.835 3.924 47 HG12 VAL 5 2HG1 VAL 5 1.129 -0.572 3.182 48 HG13 VAL 5 3HG1 VAL 5 1.382 -2.100 2.338 49 HG21 VAL 5 3HG2 VAL 5 -0.330 -0.567 5.367 50 HG22 VAL 5 1HG2 VAL 5 0.712 -1.846 6.003 51 HG23 VAL 5 2HG2 VAL 5 -1.033 -2.094 5.905 52 H LEU 6 H LEU 6 -1.236 -0.882 0.791 53 HA LEU 6 HA LEU 6 -0.739 -3.400 -0.690 54 HB2 LEU 6 2HB LEU 6 -1.703 -0.700 -1.736 55 HB3 LEU 6 3HB LEU 6 -1.444 -2.138 -2.716 56 HG LEU 6 HG LEU 6 -3.589 -1.739 -0.593 57 HD11 LEU 6 1HD1 LEU 6 -4.083 -0.623 -2.702 58 HD12 LEU 6 2HD1 LEU 6 -5.179 -1.972 -2.417 59 HD13 LEU 6 3HD1 LEU 6 -3.858 -2.140 -3.581 60 HD21 LEU 6 3HD2 LEU 6 -2.987 -4.251 -2.187 61 HD22 LEU 6 1HD2 LEU 6 -4.411 -3.986 -1.173 62 HD23 LEU 6 2HD2 LEU 6 -2.813 -4.032 -0.441 63 H ILE 7 H ILE 7 1.121 -3.471 -2.042 64 HA ILE 7 HA ILE 7 2.915 -1.115 -1.964 65 HB ILE 7 HB ILE 7 3.710 -2.585 -0.180 66 HG12 ILE 7 2HG1 ILE 7 5.613 -2.714 -2.568 67 HG13 ILE 7 3HG1 ILE 7 5.371 -1.299 -1.549 68 HG21 ILE 7 1HG2 ILE 7 4.550 -4.863 -0.572 69 HG22 ILE 7 2HG2 ILE 7 4.039 -4.779 -2.259 70 HG23 ILE 7 3HG2 ILE 7 2.834 -4.748 -0.970 71 HD11 ILE 7 3HD1 ILE 7 6.457 -3.950 -0.608 72 HD12 ILE 7 1HD1 ILE 7 6.278 -2.483 0.358 73 HD13 ILE 7 2HD1 ILE 7 7.404 -2.519 -0.995 74 H ILE 8 H ILE 8 3.219 -0.504 -3.980 75 HA ILE 8 HA ILE 8 3.394 -2.451 -6.177 76 HB ILE 8 HB ILE 8 3.425 0.600 -6.375 77 HG12 ILE 8 2HG1 ILE 8 0.982 -1.219 -6.651 78 HG13 ILE 8 3HG1 ILE 8 1.322 -0.221 -5.241 79 HG21 ILE 8 1HG2 ILE 8 2.803 -1.553 -8.446 80 HG22 ILE 8 2HG2 ILE 8 4.281 -0.590 -8.357 81 HG23 ILE 8 3HG2 ILE 8 2.746 0.193 -8.722 82 HD11 ILE 8 3HD1 ILE 8 -0.330 0.801 -6.663 83 HD12 ILE 8 1HD1 ILE 8 0.784 0.797 -8.029 84 HD13 ILE 8 2HD1 ILE 8 1.126 1.786 -6.604 85 H SER 9 H SER 9 5.416 -3.289 -6.114 86 HA SER 9 HA SER 9 7.693 -1.628 -6.778 87 HB2 SER 9 2HB SER 9 7.698 -1.480 -4.281 88 HB3 SER 9 3HB SER 9 7.737 -3.239 -4.174 89 HG SER 9 HG SER 9 9.749 -1.434 -4.866 90 H ASN 10 H ASN 10 9.337 -2.831 -7.739 91 HA ASN 10 HA ASN 10 8.756 -5.639 -8.394 92 HB2 ASN 10 2HB ASN 10 9.254 -3.973 -10.241 93 HB3 ASN 10 3HB ASN 10 10.890 -3.821 -9.604 94 HD21 ASN 10 1HD2 ASN 10 12.030 -4.726 -11.253 95 HD22 ASN 10 2HD2 ASN 10 11.827 -6.343 -11.825 96 H ASP 11 H ASP 11 10.948 -3.615 -6.564 97 HA ASP 11 HA ASP 11 13.138 -5.445 -6.342 98 HB2 ASP 11 2HB ASP 11 12.334 -3.087 -4.576 99 HB3 ASP 11 3HB ASP 11 13.811 -4.015 -4.340 100 H LYS 12 H LYS 12 12.805 -7.408 -5.565 101 HA LYS 12 HA LYS 12 10.831 -8.364 -3.866 102 HB2 LYS 12 2HB LYS 12 13.669 -9.427 -4.169 103 HB3 LYS 12 3HB LYS 12 12.325 -10.325 -3.474 104 HG2 LYS 12 2HG LYS 12 12.469 -9.370 -6.357 105 HG3 LYS 12 3HG LYS 12 12.904 -10.985 -5.809 106 HD2 LYS 12 2HD LYS 12 10.741 -11.380 -6.541 107 HD3 LYS 12 3HD LYS 12 10.417 -11.005 -4.852 108 HE2 LYS 12 2HE LYS 12 9.821 -8.680 -5.512 109 HE3 LYS 12 3HE LYS 12 10.150 -9.089 -7.195 110 HZ1 LYS 12 3HZ LYS 12 7.819 -9.202 -6.768 111 HZ2 LYS 12 1HZ LYS 12 8.046 -10.268 -5.476 112 HZ3 LYS 12 2HZ LYS 12 8.391 -10.766 -7.051 113 H LYS 13 H LYS 13 13.993 -7.018 -3.041 114 HA LYS 13 HA LYS 13 14.044 -7.806 -0.307 115 HB2 LYS 13 2HB LYS 13 15.566 -5.609 -1.765 116 HB3 LYS 13 3HB LYS 13 15.944 -6.180 -0.141 117 HG2 LYS 13 2HG LYS 13 16.072 -7.844 -2.683 118 HG3 LYS 13 3HG LYS 13 17.457 -7.146 -1.836 119 HD2 LYS 13 2HD LYS 13 16.923 -8.563 0.157 120 HD3 LYS 13 3HD LYS 13 15.564 -9.273 -0.723 121 HE2 LYS 13 2HE LYS 13 17.129 -10.196 -2.394 122 HE3 LYS 13 3HE LYS 13 18.487 -9.469 -1.534 123 HZ1 LYS 13 3HZ LYS 13 17.965 -10.853 0.372 124 HZ2 LYS 13 1HZ LYS 13 18.245 -11.802 -0.998 125 HZ3 LYS 13 2HZ LYS 13 16.665 -11.547 -0.454 126 H LEU 14 H LEU 14 13.062 -4.796 -1.964 127 HA LEU 14 HA LEU 14 12.426 -3.292 0.351 128 HB2 LEU 14 2HB LEU 14 12.833 -2.419 -1.994 129 HB3 LEU 14 3HB LEU 14 11.244 -3.001 -2.443 130 HG LEU 14 HG LEU 14 11.533 -0.969 -0.197 131 HD11 LEU 14 1HD1 LEU 14 12.768 0.024 -2.049 132 HD12 LEU 14 2HD1 LEU 14 11.249 0.877 -1.794 133 HD13 LEU 14 3HD1 LEU 14 11.408 -0.257 -3.141 134 HD21 LEU 14 3HD2 LEU 14 9.277 -0.253 -0.898 135 HD22 LEU 14 1HD2 LEU 14 9.309 -1.966 -0.482 136 HD23 LEU 14 2HD2 LEU 14 9.283 -1.474 -2.176 137 H ILE 15 H ILE 15 10.503 -5.424 -1.738 138 HA ILE 15 HA ILE 15 7.943 -5.067 -0.612 139 HB ILE 15 HB ILE 15 9.163 -7.458 -2.051 140 HG12 ILE 15 2HG1 ILE 15 7.250 -5.312 -3.078 141 HG13 ILE 15 3HG1 ILE 15 8.980 -5.369 -3.400 142 HG21 ILE 15 1HG2 ILE 15 6.860 -8.308 -2.419 143 HG22 ILE 15 2HG2 ILE 15 6.224 -7.034 -1.375 144 HG23 ILE 15 3HG2 ILE 15 7.282 -8.280 -0.708 145 HD11 ILE 15 3HD1 ILE 15 7.793 -6.178 -5.303 146 HD12 ILE 15 1HD1 ILE 15 6.903 -7.348 -4.333 147 HD13 ILE 15 2HD1 ILE 15 8.644 -7.532 -4.569 148 H GLU 16 H GLU 16 10.439 -7.478 0.048 149 HA GLU 16 HA GLU 16 9.032 -9.006 1.954 150 HB2 GLU 16 2HB GLU 16 12.027 -8.772 1.467 151 HB3 GLU 16 3HB GLU 16 11.300 -9.953 2.561 152 HG2 GLU 16 2HG GLU 16 10.077 -10.965 0.701 153 HG3 GLU 16 3HG GLU 16 10.717 -9.758 -0.411 154 H GLU 17 H GLU 17 11.495 -6.439 2.363 155 HA GLU 17 HA GLU 17 11.643 -6.346 5.143 156 HB2 GLU 17 2HB GLU 17 12.066 -4.254 2.999 157 HB3 GLU 17 3HB GLU 17 12.210 -3.801 4.692 158 HG2 GLU 17 2HG GLU 17 13.846 -5.940 3.289 159 HG3 GLU 17 3HG GLU 17 14.396 -4.310 3.673 160 H ALA 18 H ALA 18 9.429 -4.580 2.987 161 HA ALA 18 HA ALA 18 7.998 -3.163 4.982 162 HB1 ALA 18 3HB ALA 18 7.122 -4.007 2.198 163 HB2 ALA 18 1HB ALA 18 7.975 -2.517 2.614 164 HB3 ALA 18 2HB ALA 18 6.332 -2.782 3.197 165 H ARG 19 H ARG 19 7.394 -6.287 3.386 166 HA ARG 19 HA ARG 19 4.823 -6.766 4.459 167 HB2 ARG 19 2HB ARG 19 5.835 -7.830 2.377 168 HB3 ARG 19 3HB ARG 19 6.729 -8.909 3.446 169 HG2 ARG 19 2HG ARG 19 4.609 -9.790 4.343 170 HG3 ARG 19 3HG ARG 19 3.704 -8.668 3.326 171 HD2 ARG 19 2HD ARG 19 3.671 -10.869 2.305 172 HD3 ARG 19 3HD ARG 19 4.648 -9.787 1.311 173 HE ARG 19 HE ARG 19 6.491 -11.058 1.753 174 HH11 ARG 19 1HH1 ARG 19 3.983 -12.014 4.035 175 HH12 ARG 19 2HH1 ARG 19 4.877 -13.373 4.629 176 HH21 ARG 19 1HH2 ARG 19 7.651 -12.833 2.548 177 HH22 ARG 19 2HH2 ARG 19 6.969 -13.843 3.783 178 H LYS 20 H LYS 20 8.039 -7.615 5.571 179 HA LYS 20 HA LYS 20 7.438 -9.355 7.696 180 HB2 LYS 20 2HB LYS 20 9.696 -7.322 7.459 181 HB3 LYS 20 3HB LYS 20 9.615 -8.568 8.705 182 HG2 LYS 20 2HG LYS 20 9.854 -10.317 7.073 183 HG3 LYS 20 3HG LYS 20 9.689 -9.171 5.742 184 HD2 LYS 20 2HD LYS 20 11.816 -8.040 6.595 185 HD3 LYS 20 3HD LYS 20 12.006 -9.406 7.701 186 HE2 LYS 20 2HE LYS 20 12.081 -10.937 5.751 187 HE3 LYS 20 3HE LYS 20 11.918 -9.555 4.667 188 HZ1 LYS 20 3HZ LYS 20 14.192 -10.140 4.783 189 HZ2 LYS 20 1HZ LYS 20 14.186 -10.166 6.473 190 HZ3 LYS 20 2HZ LYS 20 14.010 -8.703 5.649 191 H MET 21 H MET 21 7.803 -5.802 7.606 192 HA MET 21 HA MET 21 7.248 -5.244 10.308 193 HB2 MET 21 2HB MET 21 7.026 -3.576 7.787 194 HB3 MET 21 3HB MET 21 6.553 -2.913 9.351 195 HG2 MET 21 2HG MET 21 9.291 -3.927 8.586 196 HG3 MET 21 3HG MET 21 8.812 -2.248 8.842 197 HE1 MET 21 3HE MET 21 7.919 -1.359 11.282 198 HE2 MET 21 1HE MET 21 7.948 -2.367 12.729 199 HE3 MET 21 2HE MET 21 6.825 -2.739 11.420 200 H ALA 22 H ALA 22 5.126 -5.554 7.505 201 HA ALA 22 HA ALA 22 2.728 -4.677 8.675 202 HB1 ALA 22 3HB ALA 22 3.031 -4.930 6.249 203 HB2 ALA 22 1HB ALA 22 1.623 -5.840 6.808 204 HB3 ALA 22 2HB ALA 22 3.131 -6.682 6.432 205 H GLU 23 H GLU 23 4.124 -7.989 8.410 206 HA GLU 23 HA GLU 23 1.961 -9.357 9.669 207 HB2 GLU 23 2HB GLU 23 4.879 -10.173 9.326 208 HB3 GLU 23 3HB GLU 23 3.591 -11.258 9.853 209 HG2 GLU 23 2HG GLU 23 2.446 -10.987 7.704 210 HG3 GLU 23 3HG GLU 23 3.672 -9.838 7.171 211 H LYS 24 H LYS 24 4.994 -7.992 10.847 212 HA LYS 24 HA LYS 24 4.856 -8.812 13.563 213 HB2 LYS 24 2HB LYS 24 6.331 -6.557 12.153 214 HB3 LYS 24 3HB LYS 24 6.532 -6.869 13.873 215 HG2 LYS 24 2HG LYS 24 7.662 -8.900 13.513 216 HG3 LYS 24 3HG LYS 24 7.029 -9.083 11.877 217 HD2 LYS 24 2HD LYS 24 9.434 -8.507 11.862 218 HD3 LYS 24 3HD LYS 24 8.456 -7.276 11.067 219 HE2 LYS 24 2HE LYS 24 8.579 -5.906 13.173 220 HE3 LYS 24 3HE LYS 24 9.680 -7.114 13.841 221 HZ1 LYS 24 3HZ LYS 24 11.180 -6.674 11.965 222 HZ2 LYS 24 1HZ LYS 24 10.914 -5.292 12.905 223 HZ3 LYS 24 2HZ LYS 24 10.137 -5.463 11.417 224 H ALA 25 H ALA 25 3.503 -6.081 11.804 225 HA ALA 25 HA ALA 25 2.486 -4.762 14.228 226 HB1 ALA 25 3HB ALA 25 3.493 -3.374 12.449 227 HB2 ALA 25 1HB ALA 25 1.795 -2.958 12.708 228 HB3 ALA 25 2HB ALA 25 2.266 -3.937 11.314 229 H ASN 26 H ASN 26 1.492 -7.209 12.164 230 HA ASN 26 HA ASN 26 -0.396 -8.233 11.551 231 HB2 ASN 26 2HB ASN 26 -1.370 -7.053 14.179 232 HB3 ASN 26 3HB ASN 26 -2.329 -8.186 13.225 233 HD21 ASN 26 1HD2 ASN 26 0.681 -7.820 15.042 234 HD22 ASN 26 2HD2 ASN 26 0.927 -9.506 15.323 235 H LEU 27 H LEU 27 -0.070 -6.406 9.951 236 HA LEU 27 HA LEU 27 -2.645 -5.093 9.376 237 HB2 LEU 27 2HB LEU 27 0.139 -4.253 8.414 238 HB3 LEU 27 3HB LEU 27 -1.375 -3.485 7.961 239 HG LEU 27 HG LEU 27 -0.042 -3.423 10.698 240 HD11 LEU 27 1HD1 LEU 27 0.973 -1.905 9.106 241 HD12 LEU 27 2HD1 LEU 27 0.063 -0.988 10.301 242 HD13 LEU 27 3HD1 LEU 27 -0.601 -1.227 8.682 243 HD21 LEU 27 3HD2 LEU 27 -1.912 -1.959 11.407 244 HD22 LEU 27 1HD2 LEU 27 -2.434 -3.605 11.056 245 HD23 LEU 27 2HD2 LEU 27 -2.749 -2.316 9.893 246 H GLU 28 H GLU 28 -3.509 -5.579 7.328 247 HA GLU 28 HA GLU 28 -2.500 -7.984 6.050 248 HB2 GLU 28 2HB GLU 28 -4.948 -6.233 5.634 249 HB3 GLU 28 3HB GLU 28 -4.565 -7.553 4.534 250 HG2 GLU 28 2HG GLU 28 -4.931 -7.957 7.517 251 HG3 GLU 28 3HG GLU 28 -6.267 -8.035 6.370 252 H LEU 29 H LEU 29 -0.648 -7.542 4.927 253 HA LEU 29 HA LEU 29 -0.581 -5.297 3.026 254 HB2 LEU 29 2HB LEU 29 1.352 -5.520 4.566 255 HB3 LEU 29 3HB LEU 29 1.706 -7.101 3.898 256 HG LEU 29 HG LEU 29 1.655 -4.735 2.006 257 HD11 LEU 29 1HD1 LEU 29 2.986 -3.881 3.855 258 HD12 LEU 29 2HD1 LEU 29 3.995 -4.189 2.444 259 HD13 LEU 29 3HD1 LEU 29 4.014 -5.314 3.804 260 HD21 LEU 29 3HD2 LEU 29 3.458 -5.991 0.852 261 HD22 LEU 29 1HD2 LEU 29 1.993 -6.952 1.030 262 HD23 LEU 29 2HD2 LEU 29 3.371 -7.243 2.090 263 H ARG 30 H ARG 30 -0.663 -5.629 0.916 264 HA ARG 30 HA ARG 30 -0.598 -8.357 -0.205 265 HB2 ARG 30 2HB ARG 30 -2.657 -6.180 -0.786 266 HB3 ARG 30 3HB ARG 30 -2.515 -7.689 -1.684 267 HG2 ARG 30 2HG ARG 30 -3.200 -7.433 1.270 268 HG3 ARG 30 3HG ARG 30 -4.340 -7.798 -0.033 269 HD2 ARG 30 2HD ARG 30 -3.329 -9.936 -0.437 270 HD3 ARG 30 3HD ARG 30 -1.925 -9.546 0.562 271 HE ARG 30 HE ARG 30 -4.334 -9.460 2.070 272 HH11 ARG 30 1HH1 ARG 30 -1.987 -11.716 0.739 273 HH12 ARG 30 2HH1 ARG 30 -2.325 -12.944 1.916 274 HH21 ARG 30 1HH2 ARG 30 -4.782 -11.088 3.596 275 HH22 ARG 30 2HH2 ARG 30 -3.907 -12.589 3.532 276 H THR 31 H THR 31 0.643 -8.515 -1.939 277 HA THR 31 HA THR 31 2.250 -6.242 -2.748 278 HB THR 31 HB THR 31 3.598 -7.968 -3.965 279 HG1 THR 31 HG1 THR 31 1.521 -9.367 -4.136 280 HG21 THR 31 3HG2 THR 31 2.923 -8.771 -1.108 281 HG22 THR 31 1HG2 THR 31 4.086 -7.526 -1.574 282 HG23 THR 31 2HG2 THR 31 4.388 -9.215 -1.988 283 H VAL 32 H VAL 32 1.684 -5.012 -4.390 284 HA VAL 32 HA VAL 32 -0.199 -5.938 -6.458 285 HB VAL 32 HB VAL 32 0.563 -3.109 -5.599 286 HG11 VAL 32 1HG1 VAL 32 -1.499 -3.978 -7.666 287 HG12 VAL 32 2HG1 VAL 32 0.028 -3.159 -8.009 288 HG13 VAL 32 3HG1 VAL 32 -1.236 -2.325 -7.107 289 HG21 VAL 32 3HG2 VAL 32 -1.746 -2.968 -4.717 290 HG22 VAL 32 1HG2 VAL 32 -0.836 -4.256 -3.922 291 HG23 VAL 32 2HG2 VAL 32 -2.026 -4.651 -5.165 292 H LYS 33 H LYS 33 0.415 -6.054 -8.536 293 HA LYS 33 HA LYS 33 3.115 -5.244 -9.371 294 HB2 LYS 33 2HB LYS 33 0.982 -6.841 -10.853 295 HB3 LYS 33 3HB LYS 33 2.633 -6.569 -11.411 296 HG2 LYS 33 2HG LYS 33 3.522 -7.891 -9.567 297 HG3 LYS 33 3HG LYS 33 1.905 -8.064 -8.871 298 HD2 LYS 33 2HD LYS 33 1.180 -9.300 -10.910 299 HD3 LYS 33 3HD LYS 33 2.812 -9.159 -11.565 300 HE2 LYS 33 2HE LYS 33 3.668 -10.498 -9.667 301 HE3 LYS 33 3HE LYS 33 2.024 -10.646 -9.038 302 HZ1 LYS 33 3HZ LYS 33 2.962 -11.650 -11.673 303 HZ2 LYS 33 1HZ LYS 33 1.397 -11.807 -11.051 304 HZ3 LYS 33 2HZ LYS 33 2.685 -12.599 -10.299 305 H THR 34 H THR 34 -0.121 -5.104 -10.902 306 HA THR 34 HA THR 34 0.730 -2.685 -12.397 307 HB THR 34 HB THR 34 -0.796 -3.549 -14.205 308 HG1 THR 34 HG1 THR 34 -1.442 -5.823 -13.956 309 HG21 THR 34 3HG2 THR 34 1.334 -5.558 -13.349 310 HG22 THR 34 1HG2 THR 34 1.617 -4.102 -14.309 311 HG23 THR 34 2HG2 THR 34 0.639 -5.414 -14.965 312 H GLU 35 H GLU 35 -1.368 -1.633 -13.437 313 HA GLU 35 HA GLU 35 -3.045 -0.491 -11.480 314 HB2 GLU 35 2HB GLU 35 -2.708 0.672 -13.594 315 HB3 GLU 35 3HB GLU 35 -3.332 -0.699 -14.506 316 HG2 GLU 35 2HG GLU 35 -5.589 -0.305 -13.503 317 HG3 GLU 35 3HG GLU 35 -4.944 1.112 -12.673 318 H ASP 36 H ASP 36 -3.426 -3.281 -13.624 319 HA ASP 36 HA ASP 36 -6.114 -3.942 -13.246 320 HB2 ASP 36 2HB ASP 36 -3.746 -5.854 -13.567 321 HB3 ASP 36 3HB ASP 36 -5.440 -6.307 -13.753 322 H GLU 37 H GLU 37 -3.243 -4.835 -11.333 323 HA GLU 37 HA GLU 37 -4.670 -6.431 -9.424 324 HB2 GLU 37 2HB GLU 37 -1.836 -5.335 -9.323 325 HB3 GLU 37 3HB GLU 37 -2.484 -6.614 -8.291 326 HG2 GLU 37 2HG GLU 37 -2.027 -6.724 -11.291 327 HG3 GLU 37 3HG GLU 37 -1.137 -7.603 -10.048 328 H LEU 38 H LEU 38 -3.522 -3.079 -9.501 329 HA LEU 38 HA LEU 38 -3.871 -2.519 -6.731 330 HB2 LEU 38 2HB LEU 38 -2.553 -1.183 -8.547 331 HB3 LEU 38 3HB LEU 38 -4.088 -0.447 -8.955 332 HG LEU 38 HG LEU 38 -2.555 0.924 -7.442 333 HD11 LEU 38 1HD1 LEU 38 -5.273 0.340 -6.255 334 HD12 LEU 38 2HD1 LEU 38 -4.939 1.464 -7.573 335 HD13 LEU 38 3HD1 LEU 38 -4.284 1.776 -5.968 336 HD21 LEU 38 3HD2 LEU 38 -3.321 -1.108 -5.326 337 HD22 LEU 38 1HD2 LEU 38 -2.406 0.381 -5.070 338 HD23 LEU 38 2HD2 LEU 38 -1.719 -0.918 -6.042 339 H LYS 39 H LYS 39 -5.923 -2.074 -9.593 340 HA LYS 39 HA LYS 39 -8.232 -1.071 -8.279 341 HB2 LYS 39 2HB LYS 39 -7.905 -2.500 -10.939 342 HB3 LYS 39 3HB LYS 39 -9.433 -1.812 -10.389 343 HG2 LYS 39 2HG LYS 39 -8.438 0.434 -10.380 344 HG3 LYS 39 3HG LYS 39 -6.880 -0.238 -10.875 345 HD2 LYS 39 2HD LYS 39 -8.037 0.715 -12.814 346 HD3 LYS 39 3HD LYS 39 -7.890 -1.032 -12.994 347 HE2 LYS 39 2HE LYS 39 -10.262 -1.262 -12.215 348 HE3 LYS 39 3HE LYS 39 -10.380 0.499 -12.162 349 HZ1 LYS 39 3HZ LYS 39 -9.935 0.557 -14.535 350 HZ2 LYS 39 1HZ LYS 39 -11.285 -0.407 -14.205 351 HZ3 LYS 39 2HZ LYS 39 -9.804 -1.127 -14.576 352 H LYS 40 H LYS 40 -7.091 -4.312 -9.080 353 HA LYS 40 HA LYS 40 -9.431 -5.812 -8.620 354 HB2 LYS 40 2HB LYS 40 -7.593 -6.666 -9.924 355 HB3 LYS 40 3HB LYS 40 -6.480 -6.496 -8.584 356 HG2 LYS 40 2HG LYS 40 -7.288 -8.430 -7.497 357 HG3 LYS 40 3HG LYS 40 -8.773 -8.453 -8.456 358 HD2 LYS 40 2HD LYS 40 -7.708 -9.326 -10.361 359 HD3 LYS 40 3HD LYS 40 -6.124 -8.717 -9.893 360 HE2 LYS 40 2HE LYS 40 -7.476 -10.948 -8.366 361 HE3 LYS 40 3HE LYS 40 -6.493 -11.264 -9.795 362 HZ1 LYS 40 3HZ LYS 40 -4.619 -10.233 -8.718 363 HZ2 LYS 40 1HZ LYS 40 -5.231 -11.463 -7.734 364 HZ3 LYS 40 2HZ LYS 40 -5.546 -9.847 -7.360 365 H TYR 41 H TYR 41 -6.794 -4.861 -6.471 366 HA TYR 41 HA TYR 41 -7.857 -6.169 -4.143 367 HB2 TYR 41 2HB TYR 41 -5.585 -4.218 -4.600 368 HB3 TYR 41 3HB TYR 41 -6.120 -4.569 -2.956 369 HD1 TYR 41 HD1 TYR 41 -6.456 -7.201 -2.498 370 HD2 TYR 41 HD2 TYR 41 -3.770 -5.566 -5.400 371 HE1 TYR 41 HE1 TYR 41 -5.133 -9.260 -2.430 372 HE2 TYR 41 HE2 TYR 41 -2.442 -7.633 -5.334 373 HH TYR 41 HH TYR 41 -3.552 -10.484 -3.696 374 H LEU 42 H LEU 42 -8.018 -2.833 -5.440 375 HA LEU 42 HA LEU 42 -9.421 -1.667 -3.291 376 HB2 LEU 42 2HB LEU 42 -9.490 -0.976 -6.243 377 HB3 LEU 42 3HB LEU 42 -10.261 0.003 -5.003 378 HG LEU 42 HG LEU 42 -7.275 -0.525 -5.255 379 HD11 LEU 42 1HD1 LEU 42 -8.111 0.998 -6.971 380 HD12 LEU 42 2HD1 LEU 42 -7.070 1.827 -5.819 381 HD13 LEU 42 3HD1 LEU 42 -8.820 2.032 -5.725 382 HD21 LEU 42 3HD2 LEU 42 -7.865 -0.323 -2.892 383 HD22 LEU 42 1HD2 LEU 42 -8.726 1.188 -3.208 384 HD23 LEU 42 2HD2 LEU 42 -6.975 1.098 -3.429 385 H GLU 43 H GLU 43 -10.616 -3.479 -6.103 386 HA GLU 43 HA GLU 43 -13.378 -3.303 -5.817 387 HB2 GLU 43 2HB GLU 43 -11.699 -5.680 -6.744 388 HB3 GLU 43 3HB GLU 43 -13.449 -5.587 -6.926 389 HG2 GLU 43 2HG GLU 43 -11.559 -3.573 -8.189 390 HG3 GLU 43 3HG GLU 43 -12.034 -5.068 -8.987 391 H GLU 44 H GLU 44 -11.026 -5.464 -4.332 392 HA GLU 44 HA GLU 44 -12.750 -7.237 -2.993 393 HB2 GLU 44 2HB GLU 44 -10.240 -7.488 -3.521 394 HB3 GLU 44 3HB GLU 44 -9.931 -6.472 -2.122 395 HG2 GLU 44 2HG GLU 44 -9.633 -8.764 -1.472 396 HG3 GLU 44 3HG GLU 44 -11.100 -8.162 -0.690 397 H PHE 45 H PHE 45 -11.154 -4.227 -1.947 398 HA PHE 45 HA PHE 45 -11.967 -4.408 0.797 399 HB2 PHE 45 2HB PHE 45 -10.838 -2.006 -0.696 400 HB3 PHE 45 3HB PHE 45 -10.872 -2.224 1.054 401 HD1 PHE 45 HD2 PHE 45 -10.050 -5.325 0.775 402 HD2 PHE 45 HD1 PHE 45 -8.395 -1.646 -0.680 403 HE1 PHE 45 HE2 PHE 45 -7.835 -6.368 0.643 404 HE2 PHE 45 HE1 PHE 45 -6.188 -2.707 -0.803 405 HZ PHE 45 HZ PHE 45 -5.900 -5.062 -0.144 406 H ARG 46 H ARG 46 -13.702 -3.362 -1.953 407 HA ARG 46 HA ARG 46 -15.214 -1.194 -0.891 408 HB2 ARG 46 2HB ARG 46 -15.978 -3.160 -3.094 409 HB3 ARG 46 3HB ARG 46 -16.821 -1.650 -2.749 410 HG2 ARG 46 2HG ARG 46 -14.804 -0.375 -3.363 411 HG3 ARG 46 3HG ARG 46 -13.943 -1.884 -3.679 412 HD2 ARG 46 2HD ARG 46 -16.343 -0.793 -5.184 413 HD3 ARG 46 3HD ARG 46 -14.692 -0.969 -5.792 414 HE ARG 46 HE ARG 46 -15.483 -3.506 -5.035 415 HH11 ARG 46 1HH1 ARG 46 -16.638 -1.147 -7.365 416 HH12 ARG 46 2HH1 ARG 46 -17.273 -2.349 -8.437 417 HH21 ARG 46 1HH2 ARG 46 -16.295 -5.065 -6.488 418 HH22 ARG 46 2HH2 ARG 46 -17.079 -4.555 -7.944 419 H LYS 47 H LYS 47 -15.698 -4.711 -0.861 420 HA LYS 47 HA LYS 47 -18.429 -4.800 -0.116 421 HB2 LYS 47 2HB LYS 47 -18.053 -7.168 0.304 422 HB3 LYS 47 3HB LYS 47 -17.116 -6.702 -1.112 423 HG2 LYS 47 2HG LYS 47 -15.085 -6.545 0.331 424 HG3 LYS 47 3HG LYS 47 -16.044 -7.119 1.696 425 HD2 LYS 47 2HD LYS 47 -16.462 -9.253 0.494 426 HD3 LYS 47 3HD LYS 47 -15.497 -8.676 -0.870 427 HE2 LYS 47 2HE LYS 47 -13.513 -8.562 0.569 428 HE3 LYS 47 3HE LYS 47 -14.470 -9.064 1.960 429 HZ1 LYS 47 3HZ LYS 47 -14.886 -11.169 0.825 430 HZ2 LYS 47 1HZ LYS 47 -13.236 -10.900 1.079 431 HZ3 LYS 47 2HZ LYS 47 -13.902 -10.676 -0.459 432 H GLU 48 H GLU 48 -15.585 -4.150 1.707 433 HA GLU 48 HA GLU 48 -17.025 -4.255 4.292 434 HB2 GLU 48 2HB GLU 48 -14.895 -5.056 5.329 435 HB3 GLU 48 3HB GLU 48 -15.602 -6.209 4.201 436 HG2 GLU 48 2HG GLU 48 -13.973 -5.516 2.469 437 HG3 GLU 48 3HG GLU 48 -13.257 -4.373 3.608 438 H SER 49 H SER 49 -16.583 -2.045 2.411 439 HA SER 49 HA SER 49 -14.637 -0.276 3.545 440 HB2 SER 49 2HB SER 49 -15.849 1.488 2.205 441 HB3 SER 49 3HB SER 49 -15.327 0.094 1.261 442 HG SER 49 HG SER 49 -17.320 0.005 0.676 443 H GLN 50 H GLN 50 -15.095 -0.598 5.754 444 HA GLN 50 HA GLN 50 -17.042 1.240 6.905 445 HB2 GLN 50 2HB GLN 50 -17.791 -0.517 8.562 446 HB3 GLN 50 3HB GLN 50 -18.352 -0.786 6.917 447 HG2 GLN 50 2HG GLN 50 -16.602 -2.507 6.598 448 HG3 GLN 50 3HG GLN 50 -16.030 -2.237 8.241 449 HE21 GLN 50 1HE2 GLN 50 -17.376 -2.904 9.996 450 HE22 GLN 50 2HE2 GLN 50 -18.592 -4.108 9.768 451 H ASN 51 H ASN 51 -15.483 2.552 7.686 452 HA ASN 51 HA ASN 51 -13.702 3.379 8.828 453 HB2 ASN 51 2HB ASN 51 -14.201 0.952 10.609 454 HB3 ASN 51 3HB ASN 51 -13.130 2.279 11.045 455 HD21 ASN 51 1HD2 ASN 51 -15.599 1.304 12.362 456 HD22 ASN 51 2HD2 ASN 51 -16.652 2.669 12.455 457 H ILE 52 H ILE 52 -12.995 2.135 6.568 458 HA ILE 52 HA ILE 52 -10.676 0.391 7.164 459 HB ILE 52 HB ILE 52 -12.469 -0.631 5.692 460 HG12 ILE 52 2HG1 ILE 52 -9.798 -0.237 4.255 461 HG13 ILE 52 3HG1 ILE 52 -10.065 -1.370 5.575 462 HG21 ILE 52 1HG2 ILE 52 -12.727 0.120 3.355 463 HG22 ILE 52 2HG2 ILE 52 -11.655 1.486 3.665 464 HG23 ILE 52 3HG2 ILE 52 -13.211 1.381 4.489 465 HD11 ILE 52 3HD1 ILE 52 -10.083 -2.494 3.429 466 HD12 ILE 52 1HD1 ILE 52 -11.408 -1.471 2.872 467 HD13 ILE 52 2HD1 ILE 52 -11.664 -2.606 4.201 468 H LYS 53 H LYS 53 -8.696 0.968 6.366 469 HA LYS 53 HA LYS 53 -8.355 3.385 4.734 470 HB2 LYS 53 2HB LYS 53 -6.879 2.819 7.353 471 HB3 LYS 53 3HB LYS 53 -6.480 4.123 6.234 472 HG2 LYS 53 2HG LYS 53 -8.665 5.167 6.647 473 HG3 LYS 53 3HG LYS 53 -9.106 3.838 7.727 474 HD2 LYS 53 2HD LYS 53 -7.245 4.472 9.247 475 HD3 LYS 53 3HD LYS 53 -6.832 5.817 8.175 476 HE2 LYS 53 2HE LYS 53 -8.999 6.859 8.607 477 HE3 LYS 53 3HE LYS 53 -9.502 5.477 9.584 478 HZ1 LYS 53 3HZ LYS 53 -7.653 5.995 11.096 479 HZ2 LYS 53 1HZ LYS 53 -8.809 7.229 11.007 480 HZ3 LYS 53 2HZ LYS 53 -7.334 7.393 10.200 481 H VAL 54 H VAL 54 -6.835 3.075 3.199 482 HA VAL 54 HA VAL 54 -5.095 0.670 3.338 483 HB VAL 54 HB VAL 54 -6.076 2.104 0.836 484 HG11 VAL 54 1HG1 VAL 54 -4.537 -0.501 1.106 485 HG12 VAL 54 2HG1 VAL 54 -3.898 1.023 0.486 486 HG13 VAL 54 3HG1 VAL 54 -5.158 0.170 -0.408 487 HG21 VAL 54 3HG2 VAL 54 -7.526 0.134 0.443 488 HG22 VAL 54 1HG2 VAL 54 -7.948 0.947 1.953 489 HG23 VAL 54 2HG2 VAL 54 -7.016 -0.552 1.988 490 H LEU 55 H LEU 55 -2.927 0.935 3.014 491 HA LEU 55 HA LEU 55 -1.822 3.622 2.415 492 HB2 LEU 55 2HB LEU 55 -1.358 2.861 4.727 493 HB3 LEU 55 3HB LEU 55 -0.672 1.370 4.106 494 HG LEU 55 HG LEU 55 1.124 2.782 2.955 495 HD11 LEU 55 1HD1 LEU 55 -0.015 4.929 2.925 496 HD12 LEU 55 2HD1 LEU 55 1.524 5.056 3.771 497 HD13 LEU 55 3HD1 LEU 55 0.016 5.004 4.690 498 HD21 LEU 55 3HD2 LEU 55 1.573 1.536 5.010 499 HD22 LEU 55 1HD2 LEU 55 1.043 2.915 5.978 500 HD23 LEU 55 2HD2 LEU 55 2.480 3.045 4.960 501 H ILE 56 H ILE 56 -1.050 3.615 0.346 502 HA ILE 56 HA ILE 56 -0.041 1.107 -0.847 503 HB ILE 56 HB ILE 56 -0.904 3.680 -2.245 504 HG12 ILE 56 2HG1 ILE 56 -2.332 0.979 -2.093 505 HG13 ILE 56 3HG1 ILE 56 -2.816 2.426 -1.217 506 HG21 ILE 56 1HG2 ILE 56 -0.091 0.991 -3.424 507 HG22 ILE 56 2HG2 ILE 56 0.837 2.488 -3.515 508 HG23 ILE 56 3HG2 ILE 56 -0.712 2.365 -4.345 509 HD11 ILE 56 3HD1 ILE 56 -2.820 2.090 -4.222 510 HD12 ILE 56 1HD1 ILE 56 -3.305 3.545 -3.343 511 HD13 ILE 56 2HD1 ILE 56 -4.222 2.052 -3.153 512 H LEU 57 H LEU 57 2.127 0.910 -0.727 513 HA LEU 57 HA LEU 57 3.894 3.269 -0.766 514 HB2 LEU 57 2HB LEU 57 4.538 0.355 -0.110 515 HB3 LEU 57 3HB LEU 57 5.727 1.641 -0.167 516 HG LEU 57 HG LEU 57 5.306 1.287 2.133 517 HD11 LEU 57 1HD1 LEU 57 3.619 3.679 1.368 518 HD12 LEU 57 2HD1 LEU 57 5.375 3.649 1.555 519 HD13 LEU 57 3HD1 LEU 57 4.341 3.359 2.949 520 HD21 LEU 57 3HD2 LEU 57 2.329 1.380 1.603 521 HD22 LEU 57 1HD2 LEU 57 3.108 1.178 3.176 522 HD23 LEU 57 2HD2 LEU 57 3.285 -0.065 1.941 523 H VAL 58 H VAL 58 4.549 3.829 -2.728 524 HA VAL 58 HA VAL 58 4.777 1.801 -4.876 525 HB VAL 58 HB VAL 58 4.491 3.642 -6.456 526 HG11 VAL 58 1HG1 VAL 58 2.167 4.317 -5.936 527 HG12 VAL 58 2HG1 VAL 58 2.374 3.767 -4.270 528 HG13 VAL 58 3HG1 VAL 58 2.432 2.605 -5.598 529 HG21 VAL 58 3HG2 VAL 58 5.661 5.417 -5.203 530 HG22 VAL 58 1HG2 VAL 58 4.326 5.493 -4.048 531 HG23 VAL 58 2HG2 VAL 58 4.073 5.949 -5.731 532 H SER 59 H SER 59 6.505 2.402 -6.536 533 HA SER 59 HA SER 59 9.043 2.854 -5.124 534 HB2 SER 59 2HB SER 59 8.490 1.835 -7.939 535 HB3 SER 59 3HB SER 59 10.069 1.862 -7.141 536 HG SER 59 HG SER 59 7.857 0.550 -5.973 537 H ASN 60 H ASN 60 7.270 4.011 -7.974 538 HA ASN 60 HA ASN 60 9.111 6.324 -8.246 539 HB2 ASN 60 2HB ASN 60 7.401 5.062 -10.437 540 HB3 ASN 60 3HB ASN 60 8.615 6.322 -10.637 541 HD21 ASN 60 1HD2 ASN 60 8.319 3.627 -11.823 542 HD22 ASN 60 2HD2 ASN 60 9.824 2.830 -11.541 543 H ASP 61 H ASP 61 8.151 8.278 -9.118 544 HA ASP 61 HA ASP 61 5.740 9.149 -7.917 545 HB2 ASP 61 2HB ASP 61 7.248 10.404 -10.256 546 HB3 ASP 61 3HB ASP 61 6.026 11.209 -9.274 547 H GLU 62 H GLU 62 6.418 7.631 -10.975 548 HA GLU 62 HA GLU 62 4.112 8.142 -12.450 549 HB2 GLU 62 2HB GLU 62 6.188 6.962 -13.265 550 HB3 GLU 62 3HB GLU 62 5.703 5.541 -12.351 551 HG2 GLU 62 2HG GLU 62 5.129 5.195 -14.665 552 HG3 GLU 62 3HG GLU 62 3.632 5.388 -13.750 553 H GLU 63 H GLU 63 4.765 5.376 -10.240 554 HA GLU 63 HA GLU 63 2.072 4.392 -10.302 555 HB2 GLU 63 2HB GLU 63 4.223 3.742 -8.250 556 HB3 GLU 63 3HB GLU 63 2.717 2.870 -8.484 557 HG2 GLU 63 2HG GLU 63 4.170 1.478 -9.585 558 HG3 GLU 63 3HG GLU 63 3.628 2.488 -10.919 559 H LEU 64 H LEU 64 3.831 6.661 -8.277 560 HA LEU 64 HA LEU 64 2.174 6.851 -6.040 561 HB2 LEU 64 2HB LEU 64 4.396 7.943 -6.297 562 HB3 LEU 64 3HB LEU 64 3.704 9.071 -7.447 563 HG LEU 64 HG LEU 64 2.253 10.009 -5.630 564 HD11 LEU 64 1HD1 LEU 64 3.822 8.182 -3.788 565 HD12 LEU 64 2HD1 LEU 64 2.107 8.046 -4.180 566 HD13 LEU 64 3HD1 LEU 64 2.691 9.443 -3.284 567 HD21 LEU 64 3HD2 LEU 64 5.225 10.047 -5.001 568 HD22 LEU 64 1HD2 LEU 64 4.028 11.222 -4.443 569 HD23 LEU 64 2HD2 LEU 64 4.393 11.088 -6.161 570 H ASP 65 H ASP 65 2.072 8.819 -9.035 571 HA ASP 65 HA ASP 65 -0.323 10.178 -8.331 572 HB2 ASP 65 2HB ASP 65 1.519 10.994 -9.946 573 HB3 ASP 65 3HB ASP 65 0.774 9.956 -11.164 574 H LYS 66 H LYS 66 0.425 7.305 -10.194 575 HA LYS 66 HA LYS 66 -2.036 6.851 -11.470 576 HB2 LYS 66 2HB LYS 66 0.168 5.669 -11.929 577 HB3 LYS 66 3HB LYS 66 -0.083 4.728 -10.465 578 HG2 LYS 66 2HG LYS 66 -0.709 3.436 -12.440 579 HG3 LYS 66 3HG LYS 66 -2.131 3.748 -11.432 580 HD2 LYS 66 2HD LYS 66 -2.882 5.517 -12.930 581 HD3 LYS 66 3HD LYS 66 -1.390 5.424 -13.873 582 HE2 LYS 66 2HE LYS 66 -1.999 3.200 -14.661 583 HE3 LYS 66 3HE LYS 66 -3.430 3.197 -13.628 584 HZ1 LYS 66 3HZ LYS 66 -4.117 3.747 -15.803 585 HZ2 LYS 66 1HZ LYS 66 -2.917 4.928 -15.974 586 HZ3 LYS 66 2HZ LYS 66 -4.191 5.175 -14.897 587 H ALA 67 H ALA 67 -0.824 5.674 -8.336 588 HA ALA 67 HA ALA 67 -3.138 4.098 -7.742 589 HB1 ALA 67 3HB ALA 67 -0.917 3.429 -6.954 590 HB2 ALA 67 1HB ALA 67 -2.030 3.642 -5.598 591 HB3 ALA 67 2HB ALA 67 -0.819 4.877 -5.955 592 H LYS 68 H LYS 68 -2.052 7.382 -6.898 593 HA LYS 68 HA LYS 68 -4.029 7.991 -4.963 594 HB2 LYS 68 2HB LYS 68 -2.596 9.762 -6.978 595 HB3 LYS 68 3HB LYS 68 -3.774 10.410 -5.840 596 HG2 LYS 68 2HG LYS 68 -2.364 9.592 -3.963 597 HG3 LYS 68 3HG LYS 68 -1.155 9.052 -5.133 598 HD2 LYS 68 2HD LYS 68 -2.098 11.928 -4.748 599 HD3 LYS 68 3HD LYS 68 -0.581 11.262 -4.143 600 HE2 LYS 68 2HE LYS 68 0.213 10.905 -6.431 601 HE3 LYS 68 3HE LYS 68 -1.338 11.422 -7.083 602 HZ1 LYS 68 3HZ LYS 68 0.244 13.175 -7.271 603 HZ2 LYS 68 1HZ LYS 68 0.594 13.121 -5.613 604 HZ3 LYS 68 2HZ LYS 68 -0.930 13.622 -6.140 605 H GLU 69 H GLU 69 -4.040 8.301 -8.521 606 HA GLU 69 HA GLU 69 -6.599 9.455 -8.833 607 HB2 GLU 69 2HB GLU 69 -4.930 7.779 -10.741 608 HB3 GLU 69 3HB GLU 69 -6.451 8.534 -11.225 609 HG2 GLU 69 2HG GLU 69 -3.986 10.006 -10.221 610 HG3 GLU 69 3HG GLU 69 -4.479 9.856 -11.906 611 H LEU 70 H LEU 70 -5.547 6.074 -8.909 612 HA LEU 70 HA LEU 70 -8.023 4.868 -9.523 613 HB2 LEU 70 2HB LEU 70 -5.578 3.789 -8.069 614 HB3 LEU 70 3HB LEU 70 -6.934 2.781 -8.562 615 HG LEU 70 HG LEU 70 -5.197 4.377 -10.491 616 HD11 LEU 70 1HD1 LEU 70 -5.093 1.409 -9.905 617 HD12 LEU 70 2HD1 LEU 70 -3.870 2.608 -9.473 618 HD13 LEU 70 3HD1 LEU 70 -4.195 2.260 -11.168 619 HD21 LEU 70 3HD2 LEU 70 -7.341 2.300 -11.028 620 HD22 LEU 70 1HD2 LEU 70 -6.296 3.043 -12.244 621 HD23 LEU 70 2HD2 LEU 70 -7.448 4.032 -11.354 622 H ALA 71 H ALA 71 -6.447 5.548 -6.395 623 HA ALA 71 HA ALA 71 -8.323 4.415 -4.654 624 HB1 ALA 71 3HB ALA 71 -6.058 5.085 -3.981 625 HB2 ALA 71 1HB ALA 71 -7.266 5.844 -2.940 626 HB3 ALA 71 2HB ALA 71 -6.476 6.784 -4.209 627 H GLN 72 H GLN 72 -8.147 7.694 -6.037 628 HA GLN 72 HA GLN 72 -10.292 8.800 -4.484 629 HB2 GLN 72 2HB GLN 72 -8.979 9.845 -7.032 630 HB3 GLN 72 3HB GLN 72 -10.105 10.762 -6.030 631 HG2 GLN 72 2HG GLN 72 -8.548 10.735 -4.171 632 HG3 GLN 72 3HG GLN 72 -7.432 9.704 -5.062 633 HE21 GLN 72 1HE2 GLN 72 -6.363 10.612 -6.930 634 HE22 GLN 72 2HE2 GLN 72 -6.134 12.315 -7.070 635 H LYS 73 H LYS 73 -10.038 7.424 -7.759 636 HA LYS 73 HA LYS 73 -12.676 7.927 -8.659 637 HB2 LYS 73 2HB LYS 73 -10.677 5.744 -9.374 638 HB3 LYS 73 3HB LYS 73 -12.230 5.897 -10.186 639 HG2 LYS 73 2HG LYS 73 -10.107 8.075 -10.130 640 HG3 LYS 73 3HG LYS 73 -10.306 6.908 -11.441 641 HD2 LYS 73 2HD LYS 73 -12.408 8.941 -10.553 642 HD3 LYS 73 3HD LYS 73 -11.357 9.100 -11.964 643 HE2 LYS 73 2HE LYS 73 -12.380 7.067 -12.948 644 HE3 LYS 73 3HE LYS 73 -13.441 6.923 -11.544 645 HZ1 LYS 73 3HZ LYS 73 -13.386 9.181 -13.467 646 HZ2 LYS 73 1HZ LYS 73 -14.388 9.073 -12.110 647 HZ3 LYS 73 2HZ LYS 73 -14.565 7.972 -13.379 648 H MET 74 H MET 74 -11.294 5.306 -6.751 649 HA MET 74 HA MET 74 -13.787 3.838 -6.442 650 HB2 MET 74 2HB MET 74 -11.107 3.584 -5.017 651 HB3 MET 74 3HB MET 74 -12.450 2.459 -4.835 652 HG2 MET 74 2HG MET 74 -11.025 2.982 -7.452 653 HG3 MET 74 3HG MET 74 -10.625 1.675 -6.338 654 HE1 MET 74 3HE MET 74 -12.291 -0.490 -9.029 655 HE2 MET 74 1HE MET 74 -10.974 -0.351 -7.863 656 HE3 MET 74 2HE MET 74 -11.098 0.798 -9.199 657 H GLU 75 H GLU 75 -12.434 6.606 -5.044 658 HA GLU 75 HA GLU 75 -12.696 7.866 -3.195 659 HB2 GLU 75 2HB GLU 75 -15.479 6.646 -3.299 660 HB3 GLU 75 3HB GLU 75 -15.054 8.048 -2.313 661 HG2 GLU 75 2HG GLU 75 -14.382 9.238 -4.438 662 HG3 GLU 75 3HG GLU 75 -15.016 7.868 -5.351 663 H ILE 76 H ILE 76 -11.657 5.120 -2.756 664 HA ILE 76 HA ILE 76 -12.516 4.381 -0.064 665 HB ILE 76 HB ILE 76 -10.209 3.276 -1.754 666 HG12 ILE 76 2HG1 ILE 76 -12.996 2.123 -1.237 667 HG13 ILE 76 3HG1 ILE 76 -12.462 2.849 -2.748 668 HG21 ILE 76 1HG2 ILE 76 -11.399 2.161 0.825 669 HG22 ILE 76 2HG2 ILE 76 -9.809 2.913 0.665 670 HG23 ILE 76 3HG2 ILE 76 -10.146 1.386 -0.151 671 HD11 ILE 76 3HD1 ILE 76 -10.820 1.041 -3.023 672 HD12 ILE 76 1HD1 ILE 76 -12.473 0.438 -2.906 673 HD13 ILE 76 2HD1 ILE 76 -11.391 0.305 -1.521 674 H ASP 77 H ASP 77 -11.292 4.722 1.798 675 HA ASP 77 HA ASP 77 -9.859 7.209 1.827 676 HB2 ASP 77 2HB ASP 77 -11.522 6.279 3.597 677 HB3 ASP 77 3HB ASP 77 -10.176 5.312 4.194 678 H VAL 78 H VAL 78 -7.852 7.050 0.871 679 HA VAL 78 HA VAL 78 -5.957 4.954 1.768 680 HB VAL 78 HB VAL 78 -6.266 6.023 -1.078 681 HG11 VAL 78 1HG1 VAL 78 -4.629 4.276 -1.724 682 HG12 VAL 78 2HG1 VAL 78 -4.426 3.844 -0.025 683 HG13 VAL 78 3HG1 VAL 78 -3.926 5.438 -0.595 684 HG21 VAL 78 3HG2 VAL 78 -8.133 4.532 -0.571 685 HG22 VAL 78 1HG2 VAL 78 -7.031 3.304 0.044 686 HG23 VAL 78 2HG2 VAL 78 -7.023 3.715 -1.670 687 H ARG 79 H ARG 79 -3.832 5.561 2.060 688 HA ARG 79 HA ARG 79 -2.947 8.300 1.363 689 HB2 ARG 79 2HB ARG 79 -1.716 6.396 3.420 690 HB3 ARG 79 3HB ARG 79 -1.112 7.996 3.013 691 HG2 ARG 79 2HG ARG 79 -2.219 8.348 5.023 692 HG3 ARG 79 3HG ARG 79 -3.409 8.858 3.827 693 HD2 ARG 79 2HD ARG 79 -4.478 6.585 4.028 694 HD3 ARG 79 3HD ARG 79 -3.350 6.227 5.342 695 HE ARG 79 HE ARG 79 -4.359 8.312 6.420 696 HH11 ARG 79 1HH1 ARG 79 -6.211 6.084 4.419 697 HH12 ARG 79 2HH1 ARG 79 -7.704 6.468 5.196 698 HH21 ARG 79 1HH2 ARG 79 -6.344 8.850 7.359 699 HH22 ARG 79 2HH2 ARG 79 -7.793 8.031 6.857 700 H THR 80 H THR 80 -1.644 8.287 -0.394 701 HA THR 80 HA THR 80 -0.235 5.790 -1.141 702 HB THR 80 HB THR 80 -0.772 8.189 -2.949 703 HG1 THR 80 HG1 THR 80 -2.311 5.823 -2.545 704 HG21 THR 80 3HG2 THR 80 -0.356 6.577 -4.773 705 HG22 THR 80 1HG2 THR 80 -0.082 5.293 -3.592 706 HG23 THR 80 2HG2 THR 80 1.041 6.650 -3.696 707 H ARG 81 H ARG 81 1.826 5.819 -0.520 708 HA ARG 81 HA ARG 81 3.368 8.347 -0.313 709 HB2 ARG 81 2HB ARG 81 3.626 5.779 1.322 710 HB3 ARG 81 3HB ARG 81 4.721 7.153 1.448 711 HG2 ARG 81 2HG ARG 81 1.747 7.304 2.064 712 HG3 ARG 81 3HG ARG 81 2.989 6.961 3.267 713 HD2 ARG 81 2HD ARG 81 2.480 9.281 3.453 714 HD3 ARG 81 3HD ARG 81 4.055 9.175 2.671 715 HE ARG 81 HE ARG 81 2.029 9.354 0.709 716 HH11 ARG 81 1HH1 ARG 81 3.566 11.394 3.134 717 HH12 ARG 81 2HH1 ARG 81 3.259 12.854 2.252 718 HH21 ARG 81 1HH2 ARG 81 1.664 11.271 -0.434 719 HH22 ARG 81 2HH2 ARG 81 2.181 12.787 0.232 720 H LYS 82 H LYS 82 5.317 8.389 -1.353 721 HA LYS 82 HA LYS 82 6.088 6.048 -2.966 722 HB2 LYS 82 2HB LYS 82 5.887 8.314 -4.065 723 HB3 LYS 82 3HB LYS 82 7.240 8.859 -3.076 724 HG2 LYS 82 2HG LYS 82 8.582 6.918 -4.105 725 HG3 LYS 82 3HG LYS 82 7.247 6.734 -5.243 726 HD2 LYS 82 2HD LYS 82 8.979 8.052 -6.280 727 HD3 LYS 82 3HD LYS 82 7.591 9.097 -5.968 728 HE2 LYS 82 2HE LYS 82 8.721 10.022 -3.979 729 HE3 LYS 82 3HE LYS 82 10.085 8.929 -4.235 730 HZ1 LYS 82 3HZ LYS 82 10.474 11.190 -5.064 731 HZ2 LYS 82 1HZ LYS 82 9.208 10.996 -6.170 732 HZ3 LYS 82 2HZ LYS 82 10.584 10.023 -6.284 733 H VAL 83 H VAL 83 7.951 4.963 -2.638 734 HA VAL 83 HA VAL 83 9.902 5.906 -0.644 735 HB VAL 83 HB VAL 83 10.151 3.621 0.266 736 HG11 VAL 83 1HG1 VAL 83 7.280 4.620 0.379 737 HG12 VAL 83 2HG1 VAL 83 8.613 5.133 1.419 738 HG13 VAL 83 3HG1 VAL 83 8.005 3.482 1.515 739 HG21 VAL 83 3HG2 VAL 83 8.528 1.811 -0.256 740 HG22 VAL 83 1HG2 VAL 83 9.459 2.275 -1.684 741 HG23 VAL 83 2HG2 VAL 83 7.794 2.831 -1.499 742 H THR 84 H THR 84 11.937 5.727 -1.286 743 HA THR 84 HA THR 84 12.618 4.300 -3.793 744 HB THR 84 HB THR 84 14.630 5.862 -3.820 745 HG1 THR 84 HG1 THR 84 14.939 6.733 -1.890 746 HG21 THR 84 3HG2 THR 84 13.390 7.885 -4.538 747 HG22 THR 84 1HG2 THR 84 11.918 7.260 -3.786 748 HG23 THR 84 2HG2 THR 84 12.627 6.425 -5.171 749 H SER 85 H SER 85 12.537 3.608 -0.678 750 HA SER 85 HA SER 85 14.858 1.917 -0.553 751 HB2 SER 85 2HB SER 85 15.597 3.096 1.662 752 HB3 SER 85 3HB SER 85 16.020 3.880 0.151 753 HG SER 85 HG SER 85 14.158 4.630 2.070 754 HA PRO 86 HA PRO 86 11.869 -0.504 1.714 755 HB2 PRO 86 2HB PRO 86 13.637 -1.968 3.355 756 HB3 PRO 86 3HB PRO 86 13.208 -2.376 1.683 757 HG2 PRO 86 2HG PRO 86 15.605 -0.899 2.717 758 HG3 PRO 86 3HG PRO 86 15.502 -2.136 1.440 759 HD2 PRO 86 2HD PRO 86 15.725 0.453 0.790 760 HD3 PRO 86 3HD PRO 86 14.658 -0.617 -0.151 761 H ASP 87 H ASP 87 14.379 1.110 3.720 762 HA ASP 87 HA ASP 87 13.127 0.792 6.243 763 HB2 ASP 87 2HB ASP 87 15.198 2.767 5.229 764 HB3 ASP 87 3HB ASP 87 14.534 2.941 6.853 765 H GLU 88 H GLU 88 12.707 3.248 3.751 766 HA GLU 88 HA GLU 88 11.018 5.001 5.234 767 HB2 GLU 88 2HB GLU 88 11.683 4.620 2.316 768 HB3 GLU 88 3HB GLU 88 10.302 5.627 2.729 769 HG2 GLU 88 2HG GLU 88 12.618 6.756 2.368 770 HG3 GLU 88 3HG GLU 88 11.597 7.289 3.698 771 H ALA 89 H ALA 89 10.342 2.253 3.058 772 HA ALA 89 HA ALA 89 7.514 2.384 3.044 773 HB1 ALA 89 3HB ALA 89 8.790 1.008 1.442 774 HB2 ALA 89 1HB ALA 89 7.587 0.032 2.291 775 HB3 ALA 89 2HB ALA 89 9.292 -0.070 2.745 776 H LYS 90 H LYS 90 9.812 0.801 5.203 777 HA LYS 90 HA LYS 90 7.998 -0.639 6.827 778 HB2 LYS 90 2HB LYS 90 10.830 0.336 7.377 779 HB3 LYS 90 3HB LYS 90 9.963 -0.850 8.353 780 HG2 LYS 90 2HG LYS 90 9.964 -2.448 6.537 781 HG3 LYS 90 3HG LYS 90 10.613 -1.251 5.417 782 HD2 LYS 90 2HD LYS 90 12.424 -2.710 6.064 783 HD3 LYS 90 3HD LYS 90 12.699 -1.140 6.817 784 HE2 LYS 90 2HE LYS 90 11.783 -2.038 8.953 785 HE3 LYS 90 3HE LYS 90 11.571 -3.612 8.180 786 HZ1 LYS 90 3HZ LYS 90 14.009 -3.577 7.742 787 HZ2 LYS 90 1HZ LYS 90 13.596 -3.655 9.382 788 HZ3 LYS 90 2HZ LYS 90 14.113 -2.195 8.720 789 H ARG 91 H ARG 91 9.471 2.596 7.046 790 HA ARG 91 HA ARG 91 8.626 3.308 9.624 791 HB2 ARG 91 2HB ARG 91 10.285 4.697 8.473 792 HB3 ARG 91 3HB ARG 91 9.123 5.101 7.208 793 HG2 ARG 91 2HG ARG 91 7.689 6.196 9.011 794 HG3 ARG 91 3HG ARG 91 9.038 5.966 10.125 795 HD2 ARG 91 2HD ARG 91 10.416 7.491 8.883 796 HD3 ARG 91 3HD ARG 91 9.273 7.520 7.529 797 HE ARG 91 HE ARG 91 8.087 8.348 10.017 798 HH11 ARG 91 1HH1 ARG 91 9.926 9.553 7.275 799 HH12 ARG 91 2HH1 ARG 91 9.387 11.186 7.490 800 HH21 ARG 91 1HH2 ARG 91 7.343 10.456 10.243 801 HH22 ARG 91 2HH2 ARG 91 7.918 11.699 9.173 802 H TRP 92 H TRP 92 7.065 4.100 6.440 803 HA TRP 92 HA TRP 92 4.827 5.384 7.434 804 HB2 TRP 92 2HB TRP 92 5.004 3.739 4.876 805 HB3 TRP 92 3HB TRP 92 3.748 4.919 5.237 806 HD1 TRP 92 HD1 TRP 92 6.610 4.711 3.141 807 HE1 TRP 92 HE1 TRP 92 7.693 6.986 2.666 808 HE3 TRP 92 HE3 TRP 92 4.438 7.460 6.888 809 HZ2 TRP 92 HZ2 TRP 92 7.652 9.589 3.721 810 HZ3 TRP 92 HZ3 TRP 92 5.020 9.846 7.073 811 HH2 TRP 92 HH2 TRP 92 6.595 10.886 5.520 812 H ILE 93 H ILE 93 5.396 1.906 7.088 813 HA ILE 93 HA ILE 93 2.674 1.071 7.494 814 HB ILE 93 HB ILE 93 5.311 -0.438 7.745 815 HG12 ILE 93 2HG1 ILE 93 3.147 -0.540 5.591 816 HG13 ILE 93 3HG1 ILE 93 4.679 0.316 5.453 817 HG21 ILE 93 1HG2 ILE 93 2.510 -1.635 7.896 818 HG22 ILE 93 2HG2 ILE 93 3.670 -1.540 9.223 819 HG23 ILE 93 3HG2 ILE 93 4.019 -2.554 7.825 820 HD11 ILE 93 3HD1 ILE 93 5.873 -1.822 5.625 821 HD12 ILE 93 1HD1 ILE 93 4.762 -1.760 4.255 822 HD13 ILE 93 2HD1 ILE 93 4.319 -2.665 5.702 823 H LYS 94 H LYS 94 5.550 1.381 9.626 824 HA LYS 94 HA LYS 94 4.439 0.603 12.050 825 HB2 LYS 94 2HB LYS 94 6.839 0.975 11.818 826 HB3 LYS 94 3HB LYS 94 6.592 2.677 11.455 827 HG2 LYS 94 2HG LYS 94 7.442 2.382 13.740 828 HG3 LYS 94 3HG LYS 94 5.827 3.089 13.760 829 HD2 LYS 94 2HD LYS 94 5.978 1.411 15.524 830 HD3 LYS 94 3HD LYS 94 4.868 0.836 14.280 831 HE2 LYS 94 2HE LYS 94 6.767 -0.549 13.345 832 HE3 LYS 94 3HE LYS 94 7.736 -0.060 14.735 833 HZ1 LYS 94 3HZ LYS 94 6.725 -2.212 15.073 834 HZ2 LYS 94 1HZ LYS 94 5.179 -1.563 14.848 835 HZ3 LYS 94 2HZ LYS 94 6.107 -1.095 16.180 836 H GLU 95 H GLU 95 4.563 3.900 10.629 837 HA GLU 95 HA GLU 95 3.264 5.207 12.789 838 HB2 GLU 95 2HB GLU 95 3.582 6.092 9.897 839 HB3 GLU 95 3HB GLU 95 3.049 7.131 11.216 840 HG2 GLU 95 2HG GLU 95 5.266 6.709 12.337 841 HG3 GLU 95 3HG GLU 95 5.783 5.856 10.883 842 H PHE 96 H PHE 96 2.067 3.910 9.704 843 HA PHE 96 HA PHE 96 -0.616 4.766 9.838 844 HB2 PHE 96 2HB PHE 96 0.518 3.918 7.790 845 HB3 PHE 96 3HB PHE 96 0.570 2.305 8.479 846 HD1 PHE 96 HD1 PHE 96 -1.875 4.996 7.508 847 HD2 PHE 96 HD2 PHE 96 -1.151 0.788 7.918 848 HE1 PHE 96 HE1 PHE 96 -4.027 4.507 6.426 849 HE2 PHE 96 HE2 PHE 96 -3.307 0.323 6.842 850 HZ PHE 96 HZ PHE 96 -4.737 2.176 6.099 851 H SER 97 H SER 97 1.057 2.042 11.273 852 HA SER 97 HA SER 97 -1.251 0.636 12.228 853 HB2 SER 97 2HB SER 97 0.974 -0.434 11.820 854 HB3 SER 97 3HB SER 97 1.651 0.486 13.159 855 HG SER 97 HG SER 97 0.019 -0.584 14.479 856 H GLU 98 H GLU 98 1.135 2.867 13.738 857 HA GLU 98 HA GLU 98 0.150 2.688 16.389 858 HB2 GLU 98 2HB GLU 98 1.770 4.936 15.121 859 HB3 GLU 98 3HB GLU 98 1.575 4.671 16.852 860 HG2 GLU 98 2HG GLU 98 3.003 2.836 14.901 861 HG3 GLU 98 3HG GLU 98 3.769 3.923 16.050 862 H GLU 99 H GLU 99 -0.333 5.145 13.870 863 HA GLU 99 HA GLU 99 -2.099 6.815 15.386 864 HB2 GLU 99 2HB GLU 99 -1.570 6.721 12.382 865 HB3 GLU 99 3HB GLU 99 -2.414 8.021 13.222 866 HG2 GLU 99 2HG GLU 99 0.509 7.253 13.605 867 HG3 GLU 99 3HG GLU 99 -0.089 8.619 12.665 868 H GLY 100 H GLY 100 -2.511 3.903 13.599 869 HA2 GLY 100 2HA GLY 100 -4.284 2.759 12.721 870 HA3 GLY 100 3HA GLY 100 -5.352 3.786 13.677 871 H GLY 101 H GLY 101 -2.987 4.780 11.224 872 HA2 GLY 101 2HA GLY 101 -3.159 6.202 9.432 873 HA3 GLY 101 3HA GLY 101 -4.844 5.732 9.261 874 H SER 102 H SER 102 -2.816 8.271 10.012 875 HA SER 102 HA SER 102 -4.561 9.744 11.795 876 HB2 SER 102 2HB SER 102 -2.057 10.072 11.680 877 HB3 SER 102 3HB SER 102 -2.248 10.750 10.065 878 HG SER 102 HG SER 102 -2.588 11.918 12.479 879 H LEU 103 H LEU 103 -4.750 12.230 10.524 880 HA LEU 103 HA LEU 103 -6.959 11.990 8.782 881 HB2 LEU 103 2HB LEU 103 -5.107 14.348 9.264 882 HB3 LEU 103 3HB LEU 103 -6.607 14.456 8.357 883 HG LEU 103 HG LEU 103 -6.336 13.814 11.324 884 HD11 LEU 103 1HD1 LEU 103 -5.952 16.181 10.816 885 HD12 LEU 103 2HD1 LEU 103 -7.452 15.945 11.709 886 HD13 LEU 103 3HD1 LEU 103 -7.503 16.262 9.973 887 HD21 LEU 103 3HD2 LEU 103 -8.804 13.859 11.404 888 HD22 LEU 103 1HD2 LEU 103 -8.206 12.550 10.386 889 HD23 LEU 103 2HD2 LEU 103 -8.860 14.013 9.645 890 H GLU 104 H GLU 104 -3.890 13.587 7.857 891 HA GLU 104 HA GLU 104 -2.424 13.359 6.164 892 HB2 GLU 104 2HB GLU 104 -3.620 10.578 5.902 893 HB3 GLU 104 3HB GLU 104 -2.105 11.093 5.158 894 HG2 GLU 104 2HG GLU 104 -1.040 11.345 7.304 895 HG3 GLU 104 3HG GLU 104 -2.566 11.152 8.165 896 H HIS 105 H HIS 105 -5.527 13.898 5.594 897 HA HIS 105 HA HIS 105 -5.516 13.556 2.664 898 HB2 HIS 105 2HB HIS 105 -7.823 14.617 4.356 899 HB3 HIS 105 3HB HIS 105 -7.892 13.996 2.713 900 HD1 HIS 105 HD1 HIS 105 -9.067 13.058 5.794 901 HD2 HIS 105 HD2 HIS 105 -6.782 11.011 2.989 902 HE1 HIS 105 HE1 HIS 105 -9.392 10.626 6.303 903 HE2 HIS 105 HE2 HIS 105 -8.216 9.428 4.436 904 H HIS 106 H HIS 106 -3.690 15.137 2.803 905 HA HIS 106 HA HIS 106 -4.089 17.859 3.552 906 HB2 HIS 106 2HB HIS 106 -1.847 16.668 3.417 907 HB3 HIS 106 3HB HIS 106 -1.959 16.746 1.663 908 HD1 HIS 106 HD1 HIS 106 -1.443 18.878 4.703 909 HD2 HIS 106 HD2 HIS 106 -1.313 19.267 0.568 910 HE1 HIS 106 HE1 HIS 106 -0.407 21.122 4.270 911 HE2 HIS 106 HE2 HIS 106 -0.479 21.394 1.768 912 H HIS 107 H HIS 107 -4.634 16.043 0.643 913 HA HIS 107 HA HIS 107 -5.905 18.362 -0.642 914 HB2 HIS 107 2HB HIS 107 -3.565 18.202 -1.541 915 HB3 HIS 107 3HB HIS 107 -3.893 16.557 -2.069 916 HD1 HIS 107 HD1 HIS 107 -4.976 16.284 -4.330 917 HD2 HIS 107 HD2 HIS 107 -5.061 20.212 -2.986 918 HE1 HIS 107 HE1 HIS 107 -5.842 17.638 -6.252 919 HE2 HIS 107 HE2 HIS 107 -5.709 20.026 -5.471 920 H HIS 108 H HIS 108 -7.958 17.641 -0.800 921 HA HIS 108 HA HIS 108 -8.447 15.019 -2.108 922 HB2 HIS 108 2HB HIS 108 -10.543 14.786 -0.879 923 HB3 HIS 108 3HB HIS 108 -9.220 14.988 0.256 924 HD1 HIS 108 HD1 HIS 108 -9.370 16.928 1.889 925 HD2 HIS 108 HD2 HIS 108 -12.340 17.065 -1.017 926 HE1 HIS 108 HE1 HIS 108 -10.994 18.673 2.661 927 HE2 HIS 108 HE2 HIS 108 -12.739 18.792 0.855 928 H HIS 109 H HIS 109 -8.491 18.293 -2.584 929 HA HIS 109 HA HIS 109 -10.944 18.625 -4.069 930 HB2 HIS 109 2HB HIS 109 -9.745 20.525 -2.918 931 HB3 HIS 109 3HB HIS 109 -8.444 20.387 -4.094 932 HD1 HIS 109 HD1 HIS 109 -11.608 22.073 -3.498 933 HD2 HIS 109 HD2 HIS 109 -9.373 21.047 -6.842 934 HE1 HIS 109 HE1 HIS 109 -12.454 23.529 -5.352 935 HE2 HIS 109 HE2 HIS 109 -11.173 22.799 -7.396 936 H HIS 110 H HIS 110 -10.899 16.928 -5.556 937 HA HIS 110 HA HIS 110 -8.975 17.132 -7.804 938 HB2 HIS 110 2HB HIS 110 -8.494 15.129 -6.436 939 HB3 HIS 110 3HB HIS 110 -10.170 14.611 -6.567 940 HD1 HIS 110 HD1 HIS 110 -10.873 13.415 -8.697 941 HD2 HIS 110 HD2 HIS 110 -6.958 14.777 -8.797 942 HE1 HIS 110 HE1 HIS 110 -9.841 12.344 -10.714 943 HE2 HIS 110 HE2 HIS 110 -7.420 13.029 -10.619 Start of MODEL 2 1 H1 MET 1 1H MET 1 -10.620 -2.929 13.671 2 H2 MET 1 2H MET 1 -10.939 -1.464 14.440 3 H3 MET 1 3H MET 1 -9.364 -1.851 13.986 4 HA MET 1 HA MET 1 -11.626 -1.411 12.157 5 HB2 MET 1 2HB MET 1 -10.507 0.693 11.528 6 HB3 MET 1 3HB MET 1 -10.899 0.687 13.238 7 HG2 MET 1 2HG MET 1 -8.472 0.030 13.671 8 HG3 MET 1 3HG MET 1 -8.173 0.369 11.966 9 HE1 MET 1 3HE MET 1 -8.704 2.806 10.870 10 HE2 MET 1 1HE MET 1 -9.095 4.231 11.836 11 HE3 MET 1 2HE MET 1 -10.280 2.941 11.652 12 H LEU 2 H LEU 2 -11.193 -1.749 10.007 13 HA LEU 2 HA LEU 2 -9.170 -3.645 9.328 14 HB2 LEU 2 2HB LEU 2 -10.992 -2.031 7.499 15 HB3 LEU 2 3HB LEU 2 -10.071 -3.446 7.024 16 HG LEU 2 HG LEU 2 -12.377 -3.430 9.015 17 HD11 LEU 2 1HD1 LEU 2 -13.168 -3.035 6.731 18 HD12 LEU 2 2HD1 LEU 2 -13.657 -4.630 7.300 19 HD13 LEU 2 3HD1 LEU 2 -12.313 -4.474 6.163 20 HD21 LEU 2 3HD2 LEU 2 -10.744 -5.160 9.581 21 HD22 LEU 2 1HD2 LEU 2 -10.797 -5.783 7.929 22 HD23 LEU 2 2HD2 LEU 2 -12.227 -5.880 8.961 23 H LEU 3 H LEU 3 -7.089 -2.965 9.365 24 HA LEU 3 HA LEU 3 -6.314 -0.576 7.783 25 HB2 LEU 3 2HB LEU 3 -4.788 -2.003 10.002 26 HB3 LEU 3 3HB LEU 3 -4.198 -0.619 9.097 27 HG LEU 3 HG LEU 3 -6.590 -0.609 10.985 28 HD11 LEU 3 1HD1 LEU 3 -4.463 -0.817 12.190 29 HD12 LEU 3 2HD1 LEU 3 -5.202 0.756 12.471 30 HD13 LEU 3 3HD1 LEU 3 -3.833 0.612 11.363 31 HD21 LEU 3 3HD2 LEU 3 -5.339 1.697 9.450 32 HD22 LEU 3 1HD2 LEU 3 -6.600 1.843 10.680 33 HD23 LEU 3 2HD2 LEU 3 -6.935 0.993 9.175 34 H TYR 4 H TYR 4 -5.673 -1.134 5.828 35 HA TYR 4 HA TYR 4 -4.195 -3.658 5.362 36 HB2 TYR 4 2HB TYR 4 -6.299 -2.278 3.637 37 HB3 TYR 4 3HB TYR 4 -5.198 -3.493 2.989 38 HD1 TYR 4 HD1 TYR 4 -5.326 -5.861 3.766 39 HD2 TYR 4 HD2 TYR 4 -8.175 -2.959 5.083 40 HE1 TYR 4 HE1 TYR 4 -6.790 -7.660 4.579 41 HE2 TYR 4 HE2 TYR 4 -9.634 -4.763 5.886 42 HH TYR 4 HH TYR 4 -8.617 -7.947 6.255 43 H VAL 5 H VAL 5 -2.498 -3.593 4.013 44 HA VAL 5 HA VAL 5 -1.507 -0.978 3.050 45 HB VAL 5 HB VAL 5 0.154 -3.290 4.203 46 HG11 VAL 5 1HG1 VAL 5 1.364 -2.129 2.401 47 HG12 VAL 5 2HG1 VAL 5 2.098 -1.787 3.969 48 HG13 VAL 5 3HG1 VAL 5 1.077 -0.574 3.191 49 HG21 VAL 5 3HG2 VAL 5 0.697 -1.758 6.062 50 HG22 VAL 5 1HG2 VAL 5 -1.044 -2.044 5.967 51 HG23 VAL 5 2HG2 VAL 5 -0.365 -0.527 5.373 52 H LEU 6 H LEU 6 -1.114 -0.961 0.904 53 HA LEU 6 HA LEU 6 -0.643 -3.486 -0.571 54 HB2 LEU 6 2HB LEU 6 -1.595 -0.790 -1.657 55 HB3 LEU 6 3HB LEU 6 -1.370 -2.258 -2.597 56 HG LEU 6 HG LEU 6 -3.498 -1.751 -0.486 57 HD11 LEU 6 1HD1 LEU 6 -3.744 -2.199 -3.478 58 HD12 LEU 6 2HD1 LEU 6 -3.989 -0.676 -2.618 59 HD13 LEU 6 3HD1 LEU 6 -5.089 -2.023 -2.348 60 HD21 LEU 6 3HD2 LEU 6 -2.783 -4.065 -0.275 61 HD22 LEU 6 1HD2 LEU 6 -2.975 -4.320 -2.014 62 HD23 LEU 6 2HD2 LEU 6 -4.386 -3.993 -1.002 63 H ILE 7 H ILE 7 1.230 -3.553 -1.884 64 HA ILE 7 HA ILE 7 2.959 -1.143 -1.900 65 HB ILE 7 HB ILE 7 3.927 -2.683 -0.250 66 HG12 ILE 7 2HG1 ILE 7 5.562 -2.609 -2.831 67 HG13 ILE 7 3HG1 ILE 7 5.450 -1.306 -1.653 68 HG21 ILE 7 1HG2 ILE 7 4.105 -4.785 -2.429 69 HG22 ILE 7 2HG2 ILE 7 3.025 -4.831 -1.034 70 HG23 ILE 7 3HG2 ILE 7 4.773 -4.921 -0.799 71 HD11 ILE 7 3HD1 ILE 7 7.535 -2.535 -1.473 72 HD12 ILE 7 1HD1 ILE 7 6.646 -4.022 -1.150 73 HD13 ILE 7 2HD1 ILE 7 6.575 -2.683 -0.003 74 H ILE 8 H ILE 8 3.303 -0.482 -3.931 75 HA ILE 8 HA ILE 8 3.315 -2.439 -6.143 76 HB ILE 8 HB ILE 8 3.329 0.570 -6.617 77 HG12 ILE 8 2HG1 ILE 8 0.794 -1.055 -6.102 78 HG13 ILE 8 3HG1 ILE 8 1.451 0.160 -5.015 79 HG21 ILE 8 1HG2 ILE 8 2.146 -1.758 -8.195 80 HG22 ILE 8 2HG2 ILE 8 3.682 -0.956 -8.540 81 HG23 ILE 8 3HG2 ILE 8 2.164 -0.070 -8.708 82 HD11 ILE 8 3HD1 ILE 8 0.343 0.621 -7.774 83 HD12 ILE 8 1HD1 ILE 8 1.110 1.856 -6.770 84 HD13 ILE 8 2HD1 ILE 8 -0.374 1.081 -6.228 85 H SER 9 H SER 9 5.359 -3.200 -6.165 86 HA SER 9 HA SER 9 7.559 -1.524 -6.980 87 HB2 SER 9 2HB SER 9 7.681 -1.250 -4.504 88 HB3 SER 9 3HB SER 9 7.701 -3.000 -4.297 89 HG SER 9 HG SER 9 9.724 -1.270 -5.069 90 H ASN 10 H ASN 10 9.232 -2.767 -7.926 91 HA ASN 10 HA ASN 10 8.686 -5.636 -8.348 92 HB2 ASN 10 2HB ASN 10 9.187 -4.187 -10.345 93 HB3 ASN 10 3HB ASN 10 10.782 -3.847 -9.680 94 HD21 ASN 10 1HD2 ASN 10 12.021 -4.818 -11.243 95 HD22 ASN 10 2HD2 ASN 10 11.971 -6.500 -11.637 96 H ASP 11 H ASP 11 10.687 -3.496 -6.528 97 HA ASP 11 HA ASP 11 13.078 -4.995 -6.213 98 HB2 ASP 11 2HB ASP 11 11.839 -2.987 -4.276 99 HB3 ASP 11 3HB ASP 11 13.522 -3.506 -4.293 100 H LYS 12 H LYS 12 12.942 -7.046 -5.511 101 HA LYS 12 HA LYS 12 10.800 -8.200 -4.102 102 HB2 LYS 12 2HB LYS 12 13.609 -9.350 -4.508 103 HB3 LYS 12 3HB LYS 12 12.222 -10.262 -3.926 104 HG2 LYS 12 2HG LYS 12 12.323 -10.870 -6.174 105 HG3 LYS 12 3HG LYS 12 11.089 -9.610 -6.169 106 HD2 LYS 12 2HD LYS 12 12.779 -7.973 -6.960 107 HD3 LYS 12 3HD LYS 12 14.005 -9.244 -6.967 108 HE2 LYS 12 2HE LYS 12 13.163 -8.865 -9.223 109 HE3 LYS 12 3HE LYS 12 12.677 -10.469 -8.677 110 HZ1 LYS 12 3HZ LYS 12 10.875 -9.337 -9.785 111 HZ2 LYS 12 1HZ LYS 12 10.968 -8.044 -8.703 112 HZ3 LYS 12 2HZ LYS 12 10.491 -9.570 -8.159 113 H LYS 13 H LYS 13 13.893 -6.991 -3.021 114 HA LYS 13 HA LYS 13 13.760 -8.042 -0.346 115 HB2 LYS 13 2HB LYS 13 15.632 -6.155 -1.799 116 HB3 LYS 13 3HB LYS 13 15.680 -6.212 -0.040 117 HG2 LYS 13 2HG LYS 13 17.391 -7.676 -1.063 118 HG3 LYS 13 3HG LYS 13 16.246 -8.576 -0.065 119 HD2 LYS 13 2HD LYS 13 15.034 -9.267 -2.139 120 HD3 LYS 13 3HD LYS 13 16.241 -8.417 -3.105 121 HE2 LYS 13 2HE LYS 13 17.980 -9.945 -2.402 122 HE3 LYS 13 3HE LYS 13 16.921 -10.680 -1.193 123 HZ1 LYS 13 3HZ LYS 13 16.484 -10.801 -4.130 124 HZ2 LYS 13 1HZ LYS 13 15.540 -11.550 -2.949 125 HZ3 LYS 13 2HZ LYS 13 17.138 -12.044 -3.192 126 H LEU 14 H LEU 14 12.976 -4.919 -1.888 127 HA LEU 14 HA LEU 14 12.293 -3.557 0.523 128 HB2 LEU 14 2HB LEU 14 12.899 -2.539 -1.731 129 HB3 LEU 14 3HB LEU 14 11.295 -2.948 -2.293 130 HG LEU 14 HG LEU 14 11.605 -1.156 0.143 131 HD11 LEU 14 1HD1 LEU 14 13.082 -0.142 -1.526 132 HD12 LEU 14 2HD1 LEU 14 11.648 0.848 -1.276 133 HD13 LEU 14 3HD1 LEU 14 11.783 -0.159 -2.722 134 HD21 LEU 14 3HD2 LEU 14 9.338 -1.910 -0.390 135 HD22 LEU 14 1HD2 LEU 14 9.481 -1.282 -2.035 136 HD23 LEU 14 2HD2 LEU 14 9.480 -0.175 -0.654 137 H ILE 15 H ILE 15 10.476 -5.563 -1.754 138 HA ILE 15 HA ILE 15 7.855 -5.273 -0.739 139 HB ILE 15 HB ILE 15 9.162 -7.609 -2.205 140 HG12 ILE 15 2HG1 ILE 15 7.216 -5.533 -3.326 141 HG13 ILE 15 3HG1 ILE 15 8.963 -5.382 -3.451 142 HG21 ILE 15 1HG2 ILE 15 6.206 -7.189 -1.636 143 HG22 ILE 15 2HG2 ILE 15 7.230 -8.467 -0.976 144 HG23 ILE 15 3HG2 ILE 15 6.870 -8.431 -2.702 145 HD11 ILE 15 3HD1 ILE 15 7.998 -6.232 -5.506 146 HD12 ILE 15 1HD1 ILE 15 7.302 -7.602 -4.642 147 HD13 ILE 15 2HD1 ILE 15 9.057 -7.436 -4.773 148 H GLU 16 H GLU 16 10.431 -7.610 -0.038 149 HA GLU 16 HA GLU 16 9.130 -9.115 1.960 150 HB2 GLU 16 2HB GLU 16 12.057 -8.646 1.309 151 HB3 GLU 16 3HB GLU 16 11.599 -9.607 2.712 152 HG2 GLU 16 2HG GLU 16 10.762 -10.195 -0.140 153 HG3 GLU 16 3HG GLU 16 12.099 -10.977 0.701 154 H GLU 17 H GLU 17 11.334 -6.315 2.279 155 HA GLU 17 HA GLU 17 11.458 -6.144 5.064 156 HB2 GLU 17 2HB GLU 17 11.771 -4.039 2.891 157 HB3 GLU 17 3HB GLU 17 11.994 -3.649 4.590 158 HG2 GLU 17 2HG GLU 17 13.618 -5.607 2.951 159 HG3 GLU 17 3HG GLU 17 14.142 -4.034 3.543 160 H ALA 18 H ALA 18 9.183 -4.646 2.800 161 HA ALA 18 HA ALA 18 7.671 -3.165 4.691 162 HB1 ALA 18 3HB ALA 18 6.857 -4.197 1.951 163 HB2 ALA 18 1HB ALA 18 7.649 -2.658 2.283 164 HB3 ALA 18 2HB ALA 18 6.011 -2.952 2.877 165 H ARG 19 H ARG 19 7.232 -6.405 3.244 166 HA ARG 19 HA ARG 19 4.696 -6.988 4.338 167 HB2 ARG 19 2HB ARG 19 5.665 -8.223 2.395 168 HB3 ARG 19 3HB ARG 19 6.845 -8.978 3.464 169 HG2 ARG 19 2HG ARG 19 4.998 -10.080 4.708 170 HG3 ARG 19 3HG ARG 19 3.829 -9.327 3.619 171 HD2 ARG 19 2HD ARG 19 4.234 -11.660 2.989 172 HD3 ARG 19 3HD ARG 19 4.791 -10.573 1.718 173 HE ARG 19 HE ARG 19 6.954 -11.274 2.071 174 HH11 ARG 19 1HH1 ARG 19 4.999 -12.502 4.748 175 HH12 ARG 19 2HH1 ARG 19 6.267 -13.530 5.328 176 HH21 ARG 19 1HH2 ARG 19 8.570 -12.641 2.860 177 HH22 ARG 19 2HH2 ARG 19 8.272 -13.613 4.271 178 H LYS 20 H LYS 20 7.974 -7.672 5.511 179 HA LYS 20 HA LYS 20 7.365 -9.327 7.708 180 HB2 LYS 20 2HB LYS 20 9.689 -7.367 7.381 181 HB3 LYS 20 3HB LYS 20 9.594 -8.597 8.639 182 HG2 LYS 20 2HG LYS 20 9.796 -9.072 5.658 183 HG3 LYS 20 3HG LYS 20 11.064 -9.338 6.853 184 HD2 LYS 20 2HD LYS 20 9.731 -11.156 7.875 185 HD3 LYS 20 3HD LYS 20 8.422 -10.862 6.721 186 HE2 LYS 20 2HE LYS 20 9.754 -12.787 6.012 187 HE3 LYS 20 3HE LYS 20 9.944 -11.469 4.854 188 HZ1 LYS 20 3HZ LYS 20 12.052 -10.914 5.979 189 HZ2 LYS 20 1HZ LYS 20 12.059 -12.455 5.293 190 HZ3 LYS 20 2HZ LYS 20 11.874 -12.277 6.963 191 H MET 21 H MET 21 7.806 -5.819 7.458 192 HA MET 21 HA MET 21 7.353 -5.189 10.186 193 HB2 MET 21 2HB MET 21 7.406 -3.555 7.631 194 HB3 MET 21 3HB MET 21 6.954 -2.803 9.158 195 HG2 MET 21 2HG MET 21 9.555 -4.265 8.675 196 HG3 MET 21 3HG MET 21 9.349 -2.519 8.602 197 HE1 MET 21 3HE MET 21 8.312 -1.764 12.353 198 HE2 MET 21 1HE MET 21 7.207 -2.176 11.038 199 HE3 MET 21 2HE MET 21 8.551 -1.061 10.753 200 H ALA 22 H ALA 22 5.191 -5.474 7.420 201 HA ALA 22 HA ALA 22 2.892 -4.425 8.670 202 HB1 ALA 22 3HB ALA 22 1.622 -5.540 6.877 203 HB2 ALA 22 1HB ALA 22 3.062 -6.470 6.428 204 HB3 ALA 22 2HB ALA 22 3.043 -4.717 6.232 205 H GLU 23 H GLU 23 4.245 -7.706 8.525 206 HA GLU 23 HA GLU 23 2.078 -9.005 9.893 207 HB2 GLU 23 2HB GLU 23 4.951 -9.914 9.376 208 HB3 GLU 23 3HB GLU 23 3.645 -10.956 9.941 209 HG2 GLU 23 2HG GLU 23 2.421 -10.672 7.877 210 HG3 GLU 23 3HG GLU 23 3.540 -9.438 7.317 211 H LYS 24 H LYS 24 5.090 -7.483 10.880 212 HA LYS 24 HA LYS 24 5.054 -8.168 13.652 213 HB2 LYS 24 2HB LYS 24 6.267 -5.784 12.185 214 HB3 LYS 24 3HB LYS 24 6.562 -6.138 13.883 215 HG2 LYS 24 2HG LYS 24 7.727 -8.186 13.317 216 HG3 LYS 24 3HG LYS 24 7.278 -8.020 11.622 217 HD2 LYS 24 2HD LYS 24 9.532 -7.318 11.692 218 HD3 LYS 24 3HD LYS 24 8.618 -5.814 11.633 219 HE2 LYS 24 2HE LYS 24 9.864 -7.060 14.108 220 HE3 LYS 24 3HE LYS 24 10.493 -5.679 13.215 221 HZ1 LYS 24 3HZ LYS 24 8.424 -4.483 13.799 222 HZ2 LYS 24 1HZ LYS 24 9.363 -4.906 15.138 223 HZ3 LYS 24 2HZ LYS 24 7.972 -5.789 14.777 224 H ALA 25 H ALA 25 3.781 -5.466 11.763 225 HA ALA 25 HA ALA 25 2.581 -4.080 14.016 226 HB1 ALA 25 3HB ALA 25 3.595 -2.832 12.149 227 HB2 ALA 25 1HB ALA 25 1.881 -2.448 12.307 228 HB3 ALA 25 2HB ALA 25 2.427 -3.532 11.026 229 H ASN 26 H ASN 26 1.691 -6.751 12.222 230 HA ASN 26 HA ASN 26 -0.144 -8.053 12.092 231 HB2 ASN 26 2HB ASN 26 -1.170 -6.151 14.229 232 HB3 ASN 26 3HB ASN 26 -2.122 -7.509 13.650 233 HD21 ASN 26 1HD2 ASN 26 0.835 -6.620 15.326 234 HD22 ASN 26 2HD2 ASN 26 1.046 -8.132 16.131 235 H LEU 27 H LEU 27 0.153 -5.485 10.472 236 HA LEU 27 HA LEU 27 -2.543 -5.081 9.411 237 HB2 LEU 27 2HB LEU 27 0.084 -4.046 8.259 238 HB3 LEU 27 3HB LEU 27 -1.534 -3.419 7.970 239 HG LEU 27 HG LEU 27 0.063 -3.187 10.551 240 HD11 LEU 27 1HD1 LEU 27 -0.757 -1.044 8.569 241 HD12 LEU 27 2HD1 LEU 27 0.869 -1.689 8.802 242 HD13 LEU 27 3HD1 LEU 27 0.093 -0.781 10.095 243 HD21 LEU 27 3HD2 LEU 27 -1.787 -1.772 11.396 244 HD22 LEU 27 1HD2 LEU 27 -2.275 -3.446 11.135 245 HD23 LEU 27 2HD2 LEU 27 -2.745 -2.202 9.978 246 H GLU 28 H GLU 28 -3.211 -5.856 7.355 247 HA GLU 28 HA GLU 28 -1.720 -8.143 6.288 248 HB2 GLU 28 2HB GLU 28 -4.510 -7.065 5.705 249 HB3 GLU 28 3HB GLU 28 -3.778 -8.342 4.742 250 HG2 GLU 28 2HG GLU 28 -5.274 -9.318 6.378 251 HG3 GLU 28 3HG GLU 28 -3.610 -9.768 6.740 252 H LEU 29 H LEU 29 -0.479 -8.026 4.527 253 HA LEU 29 HA LEU 29 -0.505 -5.551 2.894 254 HB2 LEU 29 2HB LEU 29 1.457 -5.669 4.358 255 HB3 LEU 29 3HB LEU 29 1.886 -7.240 3.717 256 HG LEU 29 HG LEU 29 1.698 -4.996 1.710 257 HD11 LEU 29 1HD1 LEU 29 4.021 -5.151 3.645 258 HD12 LEU 29 2HD1 LEU 29 2.826 -3.858 3.547 259 HD13 LEU 29 3HD1 LEU 29 3.927 -4.135 2.201 260 HD21 LEU 29 3HD2 LEU 29 2.339 -7.226 0.939 261 HD22 LEU 29 1HD2 LEU 29 3.694 -7.261 2.071 262 HD23 LEU 29 2HD2 LEU 29 3.681 -6.104 0.737 263 H ARG 30 H ARG 30 -0.685 -5.798 0.769 264 HA ARG 30 HA ARG 30 -0.471 -8.494 -0.437 265 HB2 ARG 30 2HB ARG 30 -2.592 -6.374 -1.028 266 HB3 ARG 30 3HB ARG 30 -2.401 -7.882 -1.919 267 HG2 ARG 30 2HG ARG 30 -3.140 -7.619 1.013 268 HG3 ARG 30 3HG ARG 30 -4.235 -8.050 -0.301 269 HD2 ARG 30 2HD ARG 30 -3.087 -10.156 -0.657 270 HD3 ARG 30 3HD ARG 30 -1.795 -9.705 0.458 271 HE ARG 30 HE ARG 30 -4.593 -10.287 1.248 272 HH11 ARG 30 1HH1 ARG 30 -1.150 -10.275 2.052 273 HH12 ARG 30 2HH1 ARG 30 -1.397 -11.045 3.591 274 HH21 ARG 30 1HH2 ARG 30 -4.880 -11.314 3.241 275 HH22 ARG 30 2HH2 ARG 30 -3.504 -11.633 4.262 276 H THR 31 H THR 31 0.521 -8.596 -2.368 277 HA THR 31 HA THR 31 2.232 -6.353 -3.076 278 HB THR 31 HB THR 31 3.429 -8.083 -4.473 279 HG1 THR 31 HG1 THR 31 2.725 -10.324 -3.995 280 HG21 THR 31 3HG2 THR 31 4.095 -7.682 -2.104 281 HG22 THR 31 1HG2 THR 31 4.337 -9.366 -2.574 282 HG23 THR 31 2HG2 THR 31 2.948 -8.921 -1.583 283 H VAL 32 H VAL 32 1.501 -4.972 -4.493 284 HA VAL 32 HA VAL 32 -0.173 -5.687 -6.793 285 HB VAL 32 HB VAL 32 0.860 -2.933 -5.961 286 HG11 VAL 32 1HG1 VAL 32 -0.966 -2.060 -7.376 287 HG12 VAL 32 2HG1 VAL 32 -1.400 -3.706 -7.844 288 HG13 VAL 32 3HG1 VAL 32 0.169 -3.041 -8.307 289 HG21 VAL 32 3HG2 VAL 32 -1.810 -4.191 -5.247 290 HG22 VAL 32 1HG2 VAL 32 -1.336 -2.523 -4.915 291 HG23 VAL 32 2HG2 VAL 32 -0.486 -3.856 -4.132 292 H LYS 33 H LYS 33 0.865 -6.236 -8.623 293 HA LYS 33 HA LYS 33 3.734 -5.568 -8.969 294 HB2 LYS 33 2HB LYS 33 2.091 -7.811 -10.232 295 HB3 LYS 33 3HB LYS 33 3.843 -7.625 -10.316 296 HG2 LYS 33 2HG LYS 33 4.158 -8.246 -8.067 297 HG3 LYS 33 3HG LYS 33 2.491 -7.873 -7.622 298 HD2 LYS 33 2HD LYS 33 1.727 -9.849 -8.945 299 HD3 LYS 33 3HD LYS 33 3.413 -10.246 -9.296 300 HE2 LYS 33 2HE LYS 33 3.853 -10.568 -6.900 301 HE3 LYS 33 3HE LYS 33 2.197 -10.096 -6.513 302 HZ1 LYS 33 3HZ LYS 33 2.951 -12.474 -8.133 303 HZ2 LYS 33 1HZ LYS 33 1.385 -12.036 -7.666 304 HZ3 LYS 33 2HZ LYS 33 2.516 -12.504 -6.505 305 H THR 34 H THR 34 0.577 -5.463 -10.460 306 HA THR 34 HA THR 34 1.535 -3.553 -12.506 307 HB THR 34 HB THR 34 -0.308 -4.429 -14.022 308 HG1 THR 34 HG1 THR 34 -0.357 -6.531 -12.092 309 HG21 THR 34 3HG2 THR 34 1.817 -6.478 -13.292 310 HG22 THR 34 1HG2 THR 34 2.010 -5.153 -14.451 311 HG23 THR 34 2HG2 THR 34 0.880 -6.466 -14.785 312 H GLU 35 H GLU 35 -0.083 -1.953 -13.088 313 HA GLU 35 HA GLU 35 -1.328 -0.759 -10.854 314 HB2 GLU 35 2HB GLU 35 -2.003 1.027 -12.353 315 HB3 GLU 35 3HB GLU 35 -0.388 0.504 -12.805 316 HG2 GLU 35 2HG GLU 35 -2.949 -0.246 -14.246 317 HG3 GLU 35 3HG GLU 35 -1.832 1.012 -14.758 318 H ASP 36 H ASP 36 -2.639 -2.832 -13.368 319 HA ASP 36 HA ASP 36 -5.405 -2.385 -12.910 320 HB2 ASP 36 2HB ASP 36 -4.410 -3.403 -14.978 321 HB3 ASP 36 3HB ASP 36 -4.069 -4.870 -14.065 322 H GLU 37 H GLU 37 -3.058 -4.431 -11.338 323 HA GLU 37 HA GLU 37 -4.888 -5.986 -9.767 324 HB2 GLU 37 2HB GLU 37 -1.918 -5.443 -9.351 325 HB3 GLU 37 3HB GLU 37 -2.874 -6.555 -8.364 326 HG2 GLU 37 2HG GLU 37 -3.425 -7.864 -10.401 327 HG3 GLU 37 3HG GLU 37 -2.390 -6.792 -11.349 328 H LEU 38 H LEU 38 -3.317 -2.878 -9.318 329 HA LEU 38 HA LEU 38 -3.854 -2.371 -6.608 330 HB2 LEU 38 2HB LEU 38 -2.453 -1.028 -8.330 331 HB3 LEU 38 3HB LEU 38 -3.952 -0.298 -8.852 332 HG LEU 38 HG LEU 38 -2.459 1.065 -7.265 333 HD11 LEU 38 1HD1 LEU 38 -4.304 2.052 -6.008 334 HD12 LEU 38 2HD1 LEU 38 -5.327 0.668 -6.400 335 HD13 LEU 38 3HD1 LEU 38 -4.759 1.738 -7.683 336 HD21 LEU 38 3HD2 LEU 38 -2.553 0.617 -4.882 337 HD22 LEU 38 1HD2 LEU 38 -1.888 -0.784 -5.719 338 HD23 LEU 38 2HD2 LEU 38 -3.557 -0.809 -5.146 339 H LYS 39 H LYS 39 -5.793 -1.926 -9.519 340 HA LYS 39 HA LYS 39 -8.141 -0.795 -8.496 341 HB2 LYS 39 2HB LYS 39 -7.739 -2.672 -10.858 342 HB3 LYS 39 3HB LYS 39 -9.225 -1.779 -10.552 343 HG2 LYS 39 2HG LYS 39 -8.157 0.325 -10.966 344 HG3 LYS 39 3HG LYS 39 -6.552 -0.413 -10.963 345 HD2 LYS 39 2HD LYS 39 -7.323 0.101 -13.265 346 HD3 LYS 39 3HD LYS 39 -7.060 -1.628 -13.026 347 HE2 LYS 39 2HE LYS 39 -9.546 -1.881 -12.669 348 HE3 LYS 39 3HE LYS 39 -9.728 -0.181 -13.106 349 HZ1 LYS 39 3HZ LYS 39 -10.124 -1.682 -14.973 350 HZ2 LYS 39 1HZ LYS 39 -8.541 -2.270 -14.857 351 HZ3 LYS 39 2HZ LYS 39 -8.814 -0.653 -15.269 352 H LYS 40 H LYS 40 -7.333 -4.275 -9.008 353 HA LYS 40 HA LYS 40 -9.929 -5.222 -8.328 354 HB2 LYS 40 2HB LYS 40 -9.096 -7.447 -8.571 355 HB3 LYS 40 3HB LYS 40 -8.227 -6.479 -9.757 356 HG2 LYS 40 2HG LYS 40 -6.256 -6.424 -8.295 357 HG3 LYS 40 3HG LYS 40 -7.121 -7.345 -7.064 358 HD2 LYS 40 2HD LYS 40 -7.300 -9.255 -8.692 359 HD3 LYS 40 3HD LYS 40 -6.337 -8.321 -9.843 360 HE2 LYS 40 2HE LYS 40 -4.467 -8.264 -8.209 361 HE3 LYS 40 3HE LYS 40 -5.424 -9.238 -7.090 362 HZ1 LYS 40 3HZ LYS 40 -5.463 -10.997 -8.789 363 HZ2 LYS 40 1HZ LYS 40 -3.890 -10.626 -8.293 364 HZ3 LYS 40 2HZ LYS 40 -4.467 -10.067 -9.776 365 H TYR 41 H TYR 41 -6.991 -4.727 -6.415 366 HA TYR 41 HA TYR 41 -7.899 -5.959 -4.016 367 HB2 TYR 41 2HB TYR 41 -5.836 -3.772 -4.495 368 HB3 TYR 41 3HB TYR 41 -6.172 -4.418 -2.892 369 HD1 TYR 41 HD1 TYR 41 -6.349 -7.287 -3.176 370 HD2 TYR 41 HD2 TYR 41 -3.751 -4.593 -5.245 371 HE1 TYR 41 HE1 TYR 41 -4.719 -9.101 -3.499 372 HE2 TYR 41 HE2 TYR 41 -2.128 -6.413 -5.569 373 HH TYR 41 HH TYR 41 -1.517 -8.549 -4.520 374 H LEU 42 H LEU 42 -8.082 -2.596 -5.218 375 HA LEU 42 HA LEU 42 -9.535 -1.473 -3.084 376 HB2 LEU 42 2HB LEU 42 -9.538 -0.717 -6.027 377 HB3 LEU 42 3HB LEU 42 -10.251 0.270 -4.759 378 HG LEU 42 HG LEU 42 -7.291 -0.431 -4.945 379 HD11 LEU 42 1HD1 LEU 42 -6.939 1.883 -5.644 380 HD12 LEU 42 2HD1 LEU 42 -8.679 2.170 -5.641 381 HD13 LEU 42 3HD1 LEU 42 -7.973 1.026 -6.786 382 HD21 LEU 42 3HD2 LEU 42 -6.965 1.295 -3.210 383 HD22 LEU 42 1HD2 LEU 42 -7.964 -0.035 -2.622 384 HD23 LEU 42 2HD2 LEU 42 -8.714 1.498 -3.073 385 H GLU 43 H GLU 43 -10.690 -3.244 -5.952 386 HA GLU 43 HA GLU 43 -13.450 -2.952 -5.701 387 HB2 GLU 43 2HB GLU 43 -11.798 -5.293 -6.717 388 HB3 GLU 43 3HB GLU 43 -13.554 -5.276 -6.812 389 HG2 GLU 43 2HG GLU 43 -11.731 -3.235 -8.107 390 HG3 GLU 43 3HG GLU 43 -12.429 -4.628 -8.931 391 H GLU 44 H GLU 44 -11.274 -5.222 -4.065 392 HA GLU 44 HA GLU 44 -13.296 -6.568 -2.559 393 HB2 GLU 44 2HB GLU 44 -10.303 -6.308 -2.036 394 HB3 GLU 44 3HB GLU 44 -11.383 -7.386 -1.157 395 HG2 GLU 44 2HG GLU 44 -10.608 -7.536 -4.078 396 HG3 GLU 44 3HG GLU 44 -10.208 -8.681 -2.799 397 H PHE 45 H PHE 45 -11.207 -3.752 -1.928 398 HA PHE 45 HA PHE 45 -11.990 -3.366 0.763 399 HB2 PHE 45 2HB PHE 45 -10.831 -1.338 -1.190 400 HB3 PHE 45 3HB PHE 45 -10.952 -1.114 0.556 401 HD1 PHE 45 HD2 PHE 45 -10.153 -4.095 1.261 402 HD2 PHE 45 HD1 PHE 45 -8.412 -1.113 -1.276 403 HE1 PHE 45 HE2 PHE 45 -7.936 -5.137 1.539 404 HE2 PHE 45 HE1 PHE 45 -6.214 -2.170 -0.986 405 HZ PHE 45 HZ PHE 45 -5.967 -4.174 0.414 406 H ARG 46 H ARG 46 -13.613 -2.601 -2.180 407 HA ARG 46 HA ARG 46 -15.338 -0.502 -1.341 408 HB2 ARG 46 2HB ARG 46 -15.661 -2.654 -3.470 409 HB3 ARG 46 3HB ARG 46 -16.837 -1.371 -3.232 410 HG2 ARG 46 2HG ARG 46 -15.156 0.315 -3.811 411 HG3 ARG 46 3HG ARG 46 -13.935 -0.948 -4.005 412 HD2 ARG 46 2HD ARG 46 -14.850 -0.232 -6.186 413 HD3 ARG 46 3HD ARG 46 -15.212 -1.932 -5.862 414 HE ARG 46 HE ARG 46 -17.285 -0.027 -5.110 415 HH11 ARG 46 1HH1 ARG 46 -16.154 -2.211 -7.656 416 HH12 ARG 46 2HH1 ARG 46 -17.714 -2.298 -8.410 417 HH21 ARG 46 1HH2 ARG 46 -19.293 -0.148 -6.133 418 HH22 ARG 46 2HH2 ARG 46 -19.488 -1.131 -7.551 419 H LYS 47 H LYS 47 -15.818 -4.046 -1.477 420 HA LYS 47 HA LYS 47 -18.487 -4.020 -0.451 421 HB2 LYS 47 2HB LYS 47 -18.346 -6.461 -0.501 422 HB3 LYS 47 3HB LYS 47 -17.610 -5.807 -1.957 423 HG2 LYS 47 2HG LYS 47 -15.356 -6.083 -0.775 424 HG3 LYS 47 3HG LYS 47 -16.222 -7.000 0.452 425 HD2 LYS 47 2HD LYS 47 -15.188 -8.539 -1.125 426 HD3 LYS 47 3HD LYS 47 -16.940 -8.626 -1.299 427 HE2 LYS 47 2HE LYS 47 -16.826 -7.243 -3.323 428 HE3 LYS 47 3HE LYS 47 -15.085 -7.046 -3.115 429 HZ1 LYS 47 3HZ LYS 47 -16.417 -9.673 -3.523 430 HZ2 LYS 47 1HZ LYS 47 -14.752 -9.364 -3.509 431 HZ3 LYS 47 2HZ LYS 47 -15.717 -8.763 -4.761 432 H GLU 48 H GLU 48 -15.548 -3.602 1.124 433 HA GLU 48 HA GLU 48 -16.707 -4.265 3.771 434 HB2 GLU 48 2HB GLU 48 -14.452 -4.951 4.526 435 HB3 GLU 48 3HB GLU 48 -14.981 -5.933 3.162 436 HG2 GLU 48 2HG GLU 48 -13.616 -4.463 1.652 437 HG3 GLU 48 3HG GLU 48 -13.014 -3.632 3.081 438 H SER 49 H SER 49 -16.539 -1.717 2.108 439 HA SER 49 HA SER 49 -14.877 0.092 3.574 440 HB2 SER 49 2HB SER 49 -17.339 0.658 1.880 441 HB3 SER 49 3HB SER 49 -16.283 1.890 2.545 442 HG SER 49 HG SER 49 -15.024 -0.089 1.130 443 H GLN 50 H GLN 50 -15.185 -0.478 5.719 444 HA GLN 50 HA GLN 50 -17.280 0.880 7.172 445 HB2 GLN 50 2HB GLN 50 -17.946 -1.219 8.468 446 HB3 GLN 50 3HB GLN 50 -18.532 -1.152 6.812 447 HG2 GLN 50 2HG GLN 50 -16.730 -2.701 6.110 448 HG3 GLN 50 3HG GLN 50 -16.146 -2.772 7.770 449 HE21 GLN 50 1HE2 GLN 50 -17.420 -3.872 9.336 450 HE22 GLN 50 2HE2 GLN 50 -18.621 -5.026 8.877 451 H ASN 51 H ASN 51 -15.578 2.072 8.012 452 HA ASN 51 HA ASN 51 -13.704 2.691 9.097 453 HB2 ASN 51 2HB ASN 51 -14.543 0.329 10.809 454 HB3 ASN 51 3HB ASN 51 -13.101 1.261 11.205 455 HD21 ASN 51 1HD2 ASN 51 -15.666 0.954 12.653 456 HD22 ASN 51 2HD2 ASN 51 -16.229 2.560 12.917 457 H ILE 52 H ILE 52 -12.922 1.904 6.892 458 HA ILE 52 HA ILE 52 -10.652 0.055 7.276 459 HB ILE 52 HB ILE 52 -12.329 -0.974 5.767 460 HG12 ILE 52 2HG1 ILE 52 -9.844 -0.115 4.206 461 HG13 ILE 52 3HG1 ILE 52 -9.871 -1.398 5.410 462 HG21 ILE 52 1HG2 ILE 52 -11.927 1.412 3.933 463 HG22 ILE 52 2HG2 ILE 52 -13.388 1.049 4.852 464 HG23 ILE 52 3HG2 ILE 52 -12.867 -0.035 3.560 465 HD11 ILE 52 3HD1 ILE 52 -11.435 -2.668 4.009 466 HD12 ILE 52 1HD1 ILE 52 -9.921 -2.312 3.181 467 HD13 ILE 52 2HD1 ILE 52 -11.372 -1.390 2.792 468 H LYS 53 H LYS 53 -8.712 0.772 6.540 469 HA LYS 53 HA LYS 53 -8.476 3.281 5.029 470 HB2 LYS 53 2HB LYS 53 -7.034 2.702 7.666 471 HB3 LYS 53 3HB LYS 53 -6.632 4.029 6.580 472 HG2 LYS 53 2HG LYS 53 -8.843 5.039 6.954 473 HG3 LYS 53 3HG LYS 53 -9.298 3.677 7.983 474 HD2 LYS 53 2HD LYS 53 -8.676 5.652 9.315 475 HD3 LYS 53 3HD LYS 53 -7.589 4.296 9.621 476 HE2 LYS 53 2HE LYS 53 -5.900 5.321 8.147 477 HE3 LYS 53 3HE LYS 53 -7.002 6.663 7.815 478 HZ1 LYS 53 3HZ LYS 53 -5.409 7.247 9.519 479 HZ2 LYS 53 1HZ LYS 53 -5.906 5.948 10.478 480 HZ3 LYS 53 2HZ LYS 53 -6.975 7.220 10.157 481 H VAL 54 H VAL 54 -6.909 3.131 3.534 482 HA VAL 54 HA VAL 54 -5.208 0.699 3.488 483 HB VAL 54 HB VAL 54 -6.217 2.273 1.068 484 HG11 VAL 54 1HG1 VAL 54 -4.823 -0.425 1.218 485 HG12 VAL 54 2HG1 VAL 54 -4.112 1.080 0.631 486 HG13 VAL 54 3HG1 VAL 54 -5.442 0.329 -0.255 487 HG21 VAL 54 3HG2 VAL 54 -8.113 1.208 2.240 488 HG22 VAL 54 1HG2 VAL 54 -7.284 -0.351 2.180 489 HG23 VAL 54 2HG2 VAL 54 -7.815 0.426 0.685 490 H LEU 55 H LEU 55 -3.055 0.944 3.192 491 HA LEU 55 HA LEU 55 -1.913 3.632 2.629 492 HB2 LEU 55 2HB LEU 55 -1.475 2.894 4.953 493 HB3 LEU 55 3HB LEU 55 -0.830 1.369 4.364 494 HG LEU 55 HG LEU 55 1.020 2.684 3.217 495 HD11 LEU 55 1HD1 LEU 55 -0.039 4.869 3.097 496 HD12 LEU 55 2HD1 LEU 55 1.501 4.960 3.948 497 HD13 LEU 55 3HD1 LEU 55 -0.012 5.005 4.859 498 HD21 LEU 55 3HD2 LEU 55 2.360 2.961 5.232 499 HD22 LEU 55 1HD2 LEU 55 1.395 1.489 5.322 500 HD23 LEU 55 2HD2 LEU 55 0.907 2.921 6.234 501 H ILE 56 H ILE 56 -1.082 3.606 0.597 502 HA ILE 56 HA ILE 56 -0.083 1.082 -0.572 503 HB ILE 56 HB ILE 56 -0.954 3.624 -2.052 504 HG12 ILE 56 2HG1 ILE 56 -2.427 0.951 -1.829 505 HG13 ILE 56 3HG1 ILE 56 -2.873 2.405 -0.946 506 HG21 ILE 56 1HG2 ILE 56 -0.791 2.214 -4.095 507 HG22 ILE 56 2HG2 ILE 56 -0.195 0.872 -3.118 508 HG23 ILE 56 3HG2 ILE 56 0.766 2.342 -3.271 509 HD11 ILE 56 3HD1 ILE 56 -3.380 3.531 -3.045 510 HD12 ILE 56 1HD1 ILE 56 -4.303 2.041 -2.861 511 HD13 ILE 56 2HD1 ILE 56 -2.911 2.083 -3.944 512 H LEU 57 H LEU 57 2.098 0.926 -0.611 513 HA LEU 57 HA LEU 57 3.804 3.353 -0.678 514 HB2 LEU 57 2HB LEU 57 4.558 0.491 0.092 515 HB3 LEU 57 3HB LEU 57 5.678 1.838 0.008 516 HG LEU 57 HG LEU 57 5.281 1.570 2.309 517 HD11 LEU 57 1HD1 LEU 57 4.114 3.568 3.074 518 HD12 LEU 57 2HD1 LEU 57 3.371 3.771 1.486 519 HD13 LEU 57 3HD1 LEU 57 5.122 3.916 1.670 520 HD21 LEU 57 3HD2 LEU 57 3.398 0.016 2.199 521 HD22 LEU 57 1HD2 LEU 57 2.299 1.340 1.802 522 HD23 LEU 57 2HD2 LEU 57 3.096 1.289 3.378 523 H VAL 58 H VAL 58 4.453 3.823 -2.655 524 HA VAL 58 HA VAL 58 4.590 1.727 -4.743 525 HB VAL 58 HB VAL 58 4.213 3.495 -6.362 526 HG11 VAL 58 1HG1 VAL 58 1.934 4.219 -5.745 527 HG12 VAL 58 2HG1 VAL 58 2.232 3.745 -4.068 528 HG13 VAL 58 3HG1 VAL 58 2.210 2.524 -5.342 529 HG21 VAL 58 3HG2 VAL 58 5.463 5.315 -5.280 530 HG22 VAL 58 1HG2 VAL 58 4.209 5.465 -4.048 531 HG23 VAL 58 2HG2 VAL 58 3.850 5.840 -5.731 532 H SER 59 H SER 59 6.300 1.984 -6.367 533 HA SER 59 HA SER 59 8.858 2.669 -5.161 534 HB2 SER 59 2HB SER 59 8.592 0.564 -6.455 535 HB3 SER 59 3HB SER 59 8.223 1.495 -7.908 536 HG SER 59 HG SER 59 10.337 2.405 -7.747 537 H ASN 60 H ASN 60 6.933 3.708 -7.972 538 HA ASN 60 HA ASN 60 8.859 5.903 -8.526 539 HB2 ASN 60 2HB ASN 60 7.107 4.368 -10.493 540 HB3 ASN 60 3HB ASN 60 8.268 5.629 -10.909 541 HD21 ASN 60 1HD2 ASN 60 8.075 2.758 -11.674 542 HD22 ASN 60 2HD2 ASN 60 9.583 2.050 -11.237 543 H ASP 61 H ASP 61 7.984 7.801 -9.536 544 HA ASP 61 HA ASP 61 5.739 8.951 -8.302 545 HB2 ASP 61 2HB ASP 61 7.220 9.896 -10.807 546 HB3 ASP 61 3HB ASP 61 6.053 10.866 -9.910 547 H GLU 62 H GLU 62 5.985 7.192 -11.312 548 HA GLU 62 HA GLU 62 3.426 7.888 -12.380 549 HB2 GLU 62 2HB GLU 62 5.548 5.875 -13.052 550 HB3 GLU 62 3HB GLU 62 3.921 5.464 -13.576 551 HG2 GLU 62 2HG GLU 62 5.321 8.068 -14.261 552 HG3 GLU 62 3HG GLU 62 5.288 6.648 -15.304 553 H GLU 63 H GLU 63 4.593 5.120 -10.449 554 HA GLU 63 HA GLU 63 2.058 3.869 -10.170 555 HB2 GLU 63 2HB GLU 63 4.658 3.662 -8.622 556 HB3 GLU 63 3HB GLU 63 3.215 2.820 -8.067 557 HG2 GLU 63 2HG GLU 63 4.544 1.277 -9.318 558 HG3 GLU 63 3HG GLU 63 3.098 1.629 -10.240 559 H LEU 64 H LEU 64 3.703 6.395 -8.329 560 HA LEU 64 HA LEU 64 1.920 6.691 -6.184 561 HB2 LEU 64 2HB LEU 64 4.145 7.786 -6.327 562 HB3 LEU 64 3HB LEU 64 3.574 8.793 -7.646 563 HG LEU 64 HG LEU 64 1.942 9.871 -6.054 564 HD11 LEU 64 1HD1 LEU 64 2.268 9.604 -3.627 565 HD12 LEU 64 2HD1 LEU 64 3.394 8.276 -3.923 566 HD13 LEU 64 3HD1 LEU 64 1.699 8.123 -4.390 567 HD21 LEU 64 3HD2 LEU 64 4.075 10.949 -6.570 568 HD22 LEU 64 1HD2 LEU 64 4.859 10.076 -5.250 569 HD23 LEU 64 2HD2 LEU 64 3.595 11.262 -4.904 570 H ASP 65 H ASP 65 1.995 8.200 -9.408 571 HA ASP 65 HA ASP 65 -0.246 9.871 -9.187 572 HB2 ASP 65 2HB ASP 65 1.485 10.198 -10.898 573 HB3 ASP 65 3HB ASP 65 1.134 8.624 -11.610 574 H LYS 66 H LYS 66 0.156 6.564 -10.396 575 HA LYS 66 HA LYS 66 -2.508 6.265 -11.386 576 HB2 LYS 66 2HB LYS 66 -0.110 4.455 -11.116 577 HB3 LYS 66 3HB LYS 66 -1.683 3.677 -11.261 578 HG2 LYS 66 2HG LYS 66 -0.486 3.946 -13.448 579 HG3 LYS 66 3HG LYS 66 -2.093 4.681 -13.413 580 HD2 LYS 66 2HD LYS 66 -1.019 6.899 -12.992 581 HD3 LYS 66 3HD LYS 66 0.563 6.138 -13.144 582 HE2 LYS 66 2HE LYS 66 0.076 5.576 -15.495 583 HE3 LYS 66 3HE LYS 66 -1.538 6.287 -15.333 584 HZ1 LYS 66 3HZ LYS 66 -0.123 7.895 -16.338 585 HZ2 LYS 66 1HZ LYS 66 1.069 7.697 -15.155 586 HZ3 LYS 66 2HZ LYS 66 -0.409 8.413 -14.754 587 H ALA 67 H ALA 67 -0.878 5.219 -8.366 588 HA ALA 67 HA ALA 67 -3.022 3.662 -7.370 589 HB1 ALA 67 3HB ALA 67 -0.720 3.397 -6.551 590 HB2 ALA 67 1HB ALA 67 -1.831 3.724 -5.221 591 HB3 ALA 67 2HB ALA 67 -0.776 5.006 -5.827 592 H LYS 68 H LYS 68 -2.087 7.087 -6.844 593 HA LYS 68 HA LYS 68 -4.152 7.727 -4.999 594 HB2 LYS 68 2HB LYS 68 -2.584 9.519 -6.905 595 HB3 LYS 68 3HB LYS 68 -3.770 10.143 -5.759 596 HG2 LYS 68 2HG LYS 68 -2.425 9.142 -3.900 597 HG3 LYS 68 3HG LYS 68 -1.197 8.686 -5.082 598 HD2 LYS 68 2HD LYS 68 -2.104 11.521 -4.434 599 HD3 LYS 68 3HD LYS 68 -0.583 10.780 -3.937 600 HE2 LYS 68 2HE LYS 68 0.088 10.589 -6.325 601 HE3 LYS 68 3HE LYS 68 -1.428 11.358 -6.801 602 HZ1 LYS 68 3HZ LYS 68 -0.755 13.344 -5.587 603 HZ2 LYS 68 1HZ LYS 68 0.385 12.944 -6.768 604 HZ3 LYS 68 2HZ LYS 68 0.701 12.607 -5.140 605 H GLU 69 H GLU 69 -3.937 8.008 -8.566 606 HA GLU 69 HA GLU 69 -6.320 9.275 -9.139 607 HB2 GLU 69 2HB GLU 69 -4.272 8.654 -10.616 608 HB3 GLU 69 3HB GLU 69 -5.065 7.111 -10.880 609 HG2 GLU 69 2HG GLU 69 -6.399 9.737 -11.479 610 HG3 GLU 69 3HG GLU 69 -5.323 8.965 -12.630 611 H LEU 70 H LEU 70 -5.655 5.778 -9.213 612 HA LEU 70 HA LEU 70 -8.240 4.905 -9.826 613 HB2 LEU 70 2HB LEU 70 -5.930 3.455 -8.466 614 HB3 LEU 70 3HB LEU 70 -7.377 2.648 -9.056 615 HG LEU 70 HG LEU 70 -5.510 4.242 -10.862 616 HD11 LEU 70 1HD1 LEU 70 -4.545 2.142 -11.642 617 HD12 LEU 70 2HD1 LEU 70 -5.492 1.236 -10.454 618 HD13 LEU 70 3HD1 LEU 70 -4.248 2.370 -9.919 619 HD21 LEU 70 3HD2 LEU 70 -7.721 2.275 -11.536 620 HD22 LEU 70 1HD2 LEU 70 -6.634 3.039 -12.699 621 HD23 LEU 70 2HD2 LEU 70 -7.758 4.025 -11.769 622 H ALA 71 H ALA 71 -6.598 5.207 -6.651 623 HA ALA 71 HA ALA 71 -8.610 4.078 -5.023 624 HB1 ALA 71 3HB ALA 71 -7.414 5.117 -3.150 625 HB2 ALA 71 1HB ALA 71 -6.513 6.144 -4.281 626 HB3 ALA 71 2HB ALA 71 -6.280 4.396 -4.291 627 H GLN 72 H GLN 72 -8.032 7.460 -5.986 628 HA GLN 72 HA GLN 72 -10.117 8.579 -4.359 629 HB2 GLN 72 2HB GLN 72 -8.519 9.743 -6.678 630 HB3 GLN 72 3HB GLN 72 -9.704 10.669 -5.752 631 HG2 GLN 72 2HG GLN 72 -8.392 10.243 -3.689 632 HG3 GLN 72 3HG GLN 72 -7.189 9.386 -4.647 633 HE21 GLN 72 1HE2 GLN 72 -5.841 10.595 -6.054 634 HE22 GLN 72 2HE2 GLN 72 -5.650 12.303 -5.881 635 H LYS 73 H LYS 73 -9.923 7.438 -7.696 636 HA LYS 73 HA LYS 73 -12.551 8.272 -8.493 637 HB2 LYS 73 2HB LYS 73 -10.689 6.139 -9.620 638 HB3 LYS 73 3HB LYS 73 -12.162 6.696 -10.414 639 HG2 LYS 73 2HG LYS 73 -9.894 8.571 -9.692 640 HG3 LYS 73 3HG LYS 73 -9.951 7.707 -11.224 641 HD2 LYS 73 2HD LYS 73 -12.159 9.574 -10.270 642 HD3 LYS 73 3HD LYS 73 -10.806 10.090 -11.285 643 HE2 LYS 73 2HE LYS 73 -12.870 7.981 -11.999 644 HE3 LYS 73 3HE LYS 73 -12.755 9.606 -12.674 645 HZ1 LYS 73 3HZ LYS 73 -10.576 9.021 -13.579 646 HZ2 LYS 73 1HZ LYS 73 -11.787 7.997 -14.166 647 HZ3 LYS 73 2HZ LYS 73 -10.727 7.454 -12.973 648 H MET 74 H MET 74 -11.249 5.405 -6.910 649 HA MET 74 HA MET 74 -13.739 3.938 -6.783 650 HB2 MET 74 2HB MET 74 -11.242 3.702 -5.034 651 HB3 MET 74 3HB MET 74 -12.603 2.589 -5.009 652 HG2 MET 74 2HG MET 74 -10.819 3.040 -7.391 653 HG3 MET 74 3HG MET 74 -10.628 1.744 -6.218 654 HE1 MET 74 3HE MET 74 -11.854 -0.374 -9.165 655 HE2 MET 74 1HE MET 74 -10.790 -0.315 -7.759 656 HE3 MET 74 2HE MET 74 -10.602 0.867 -9.060 657 H GLU 75 H GLU 75 -12.480 6.694 -5.266 658 HA GLU 75 HA GLU 75 -13.077 8.085 -3.586 659 HB2 GLU 75 2HB GLU 75 -15.750 6.623 -3.762 660 HB3 GLU 75 3HB GLU 75 -15.492 8.225 -3.073 661 HG2 GLU 75 2HG GLU 75 -14.891 9.127 -5.262 662 HG3 GLU 75 3HG GLU 75 -14.960 7.521 -5.981 663 H ILE 76 H ILE 76 -11.839 5.519 -2.889 664 HA ILE 76 HA ILE 76 -12.887 4.854 -0.222 665 HB ILE 76 HB ILE 76 -10.547 3.566 -1.731 666 HG12 ILE 76 2HG1 ILE 76 -13.451 2.625 -1.530 667 HG13 ILE 76 3HG1 ILE 76 -12.688 3.276 -2.974 668 HG21 ILE 76 1HG2 ILE 76 -12.124 2.513 0.661 669 HG22 ILE 76 2HG2 ILE 76 -10.491 3.194 0.730 670 HG23 ILE 76 3HG2 ILE 76 -10.780 1.696 -0.153 671 HD11 ILE 76 3HD1 ILE 76 -12.875 0.864 -3.073 672 HD12 ILE 76 1HD1 ILE 76 -11.928 0.701 -1.595 673 HD13 ILE 76 2HD1 ILE 76 -11.184 1.357 -3.057 674 H ASP 77 H ASP 77 -11.599 5.093 1.700 675 HA ASP 77 HA ASP 77 -10.045 7.529 1.751 676 HB2 ASP 77 2HB ASP 77 -11.751 6.984 3.488 677 HB3 ASP 77 3HB ASP 77 -10.787 5.600 3.989 678 H VAL 78 H VAL 78 -7.986 7.311 0.947 679 HA VAL 78 HA VAL 78 -6.233 5.114 1.926 680 HB VAL 78 HB VAL 78 -6.420 6.074 -0.978 681 HG11 VAL 78 1HG1 VAL 78 -4.120 5.409 -0.401 682 HG12 VAL 78 2HG1 VAL 78 -4.848 4.259 -1.522 683 HG13 VAL 78 3HG1 VAL 78 -4.704 3.851 0.190 684 HG21 VAL 78 3HG2 VAL 78 -7.309 3.429 0.234 685 HG22 VAL 78 1HG2 VAL 78 -7.310 3.816 -1.491 686 HG23 VAL 78 2HG2 VAL 78 -8.364 4.698 -0.384 687 H ARG 79 H ARG 79 -4.087 5.599 2.216 688 HA ARG 79 HA ARG 79 -3.051 8.316 1.627 689 HB2 ARG 79 2HB ARG 79 -2.068 6.283 3.705 690 HB3 ARG 79 3HB ARG 79 -1.219 7.764 3.289 691 HG2 ARG 79 2HG ARG 79 -2.293 8.284 5.293 692 HG3 ARG 79 3HG ARG 79 -3.337 9.010 4.071 693 HD2 ARG 79 2HD ARG 79 -4.866 7.045 4.256 694 HD3 ARG 79 3HD ARG 79 -3.817 6.371 5.509 695 HE ARG 79 HE ARG 79 -4.370 8.312 6.900 696 HH11 ARG 79 1HH1 ARG 79 -6.510 7.668 4.180 697 HH12 ARG 79 2HH1 ARG 79 -7.855 8.504 4.884 698 HH21 ARG 79 1HH2 ARG 79 -6.169 9.381 7.821 699 HH22 ARG 79 2HH2 ARG 79 -7.665 9.474 6.940 700 H THR 80 H THR 80 -1.535 8.336 0.024 701 HA THR 80 HA THR 80 -0.160 5.808 -0.710 702 HB THR 80 HB THR 80 -0.866 8.067 -2.641 703 HG1 THR 80 HG1 THR 80 -2.646 6.698 -1.651 704 HG21 THR 80 3HG2 THR 80 1.062 6.688 -3.372 705 HG22 THR 80 1HG2 THR 80 -0.347 6.377 -4.389 706 HG23 THR 80 2HG2 THR 80 0.113 5.216 -3.140 707 H ARG 81 H ARG 81 1.992 5.895 -0.553 708 HA ARG 81 HA ARG 81 3.454 8.469 -0.462 709 HB2 ARG 81 2HB ARG 81 3.760 6.040 1.370 710 HB3 ARG 81 3HB ARG 81 4.968 7.314 1.266 711 HG2 ARG 81 2HG ARG 81 2.091 7.743 2.122 712 HG3 ARG 81 3HG ARG 81 3.445 7.516 3.232 713 HD2 ARG 81 2HD ARG 81 4.522 9.556 2.307 714 HD3 ARG 81 3HD ARG 81 3.137 9.786 1.231 715 HE ARG 81 HE ARG 81 2.010 9.699 3.701 716 HH11 ARG 81 1HH1 ARG 81 4.589 11.666 2.319 717 HH12 ARG 81 2HH1 ARG 81 4.268 13.028 3.347 718 HH21 ARG 81 1HH2 ARG 81 1.630 11.487 5.061 719 HH22 ARG 81 2HH2 ARG 81 2.593 12.919 4.897 720 H LYS 82 H LYS 82 5.287 8.499 -1.691 721 HA LYS 82 HA LYS 82 6.002 6.098 -3.211 722 HB2 LYS 82 2HB LYS 82 5.740 8.322 -4.404 723 HB3 LYS 82 3HB LYS 82 7.146 8.910 -3.512 724 HG2 LYS 82 2HG LYS 82 8.411 6.876 -4.484 725 HG3 LYS 82 3HG LYS 82 7.036 6.687 -5.571 726 HD2 LYS 82 2HD LYS 82 8.695 7.908 -6.767 727 HD3 LYS 82 3HD LYS 82 7.442 9.072 -6.334 728 HE2 LYS 82 2HE LYS 82 8.834 9.876 -4.459 729 HE3 LYS 82 3HE LYS 82 10.073 8.683 -4.862 730 HZ1 LYS 82 3HZ LYS 82 9.163 10.855 -6.677 731 HZ2 LYS 82 1HZ LYS 82 10.395 9.740 -6.981 732 HZ3 LYS 82 2HZ LYS 82 10.582 10.888 -5.756 733 H VAL 83 H VAL 83 7.478 4.823 -2.373 734 HA VAL 83 HA VAL 83 9.662 5.874 -0.686 735 HB VAL 83 HB VAL 83 9.832 3.621 0.270 736 HG11 VAL 83 1HG1 VAL 83 6.954 4.637 0.236 737 HG12 VAL 83 2HG1 VAL 83 8.241 5.160 1.325 738 HG13 VAL 83 3HG1 VAL 83 7.620 3.514 1.423 739 HG21 VAL 83 3HG2 VAL 83 7.559 2.796 -1.593 740 HG22 VAL 83 1HG2 VAL 83 8.237 1.801 -0.299 741 HG23 VAL 83 2HG2 VAL 83 9.231 2.240 -1.687 742 H THR 84 H THR 84 11.712 5.718 -1.395 743 HA THR 84 HA THR 84 12.380 4.101 -3.789 744 HB THR 84 HB THR 84 14.363 5.630 -4.041 745 HG1 THR 84 HG1 THR 84 13.102 7.098 -1.922 746 HG21 THR 84 3HG2 THR 84 13.155 7.639 -4.840 747 HG22 THR 84 1HG2 THR 84 11.692 7.090 -4.020 748 HG23 THR 84 2HG2 THR 84 12.358 6.154 -5.364 749 H SER 85 H SER 85 12.887 4.560 -0.411 750 HA SER 85 HA SER 85 15.128 2.630 -0.323 751 HB2 SER 85 2HB SER 85 14.405 4.704 1.806 752 HB3 SER 85 3HB SER 85 15.870 3.720 1.723 753 HG SER 85 HG SER 85 15.083 5.858 0.050 754 HA PRO 86 HA PRO 86 12.178 -0.130 1.800 755 HB2 PRO 86 2HB PRO 86 14.601 -1.029 3.370 756 HB3 PRO 86 3HB PRO 86 13.418 -1.993 2.455 757 HG2 PRO 86 2HG PRO 86 15.826 -1.585 1.430 758 HG3 PRO 86 3HG PRO 86 14.386 -1.503 0.389 759 HD2 PRO 86 2HD PRO 86 16.000 0.775 1.547 760 HD3 PRO 86 3HD PRO 86 15.329 0.584 -0.093 761 H ASP 87 H ASP 87 14.536 1.761 3.646 762 HA ASP 87 HA ASP 87 13.578 1.709 6.241 763 HB2 ASP 87 2HB ASP 87 14.674 4.184 4.815 764 HB3 ASP 87 3HB ASP 87 14.660 3.909 6.555 765 H GLU 88 H GLU 88 12.543 3.810 3.589 766 HA GLU 88 HA GLU 88 10.687 5.423 4.986 767 HB2 GLU 88 2HB GLU 88 10.761 4.742 2.008 768 HB3 GLU 88 3HB GLU 88 9.871 6.079 2.734 769 HG2 GLU 88 2HG GLU 88 11.980 7.124 3.436 770 HG3 GLU 88 3HG GLU 88 12.882 5.767 2.756 771 H ALA 89 H ALA 89 10.324 2.462 3.050 772 HA ALA 89 HA ALA 89 7.495 2.360 2.966 773 HB1 ALA 89 3HB ALA 89 7.787 0.033 2.193 774 HB2 ALA 89 1HB ALA 89 9.489 0.073 2.689 775 HB3 ALA 89 2HB ALA 89 8.921 1.109 1.382 776 H LYS 90 H LYS 90 9.886 0.836 5.099 777 HA LYS 90 HA LYS 90 8.119 -0.720 6.660 778 HB2 LYS 90 2HB LYS 90 10.908 0.347 7.262 779 HB3 LYS 90 3HB LYS 90 10.083 -0.901 8.195 780 HG2 LYS 90 2HG LYS 90 10.177 -2.458 6.363 781 HG3 LYS 90 3HG LYS 90 10.722 -1.200 5.248 782 HD2 LYS 90 2HD LYS 90 12.616 -2.613 5.881 783 HD3 LYS 90 3HD LYS 90 12.842 -0.989 6.523 784 HE2 LYS 90 2HE LYS 90 12.161 -1.742 8.748 785 HE3 LYS 90 3HE LYS 90 11.806 -3.354 8.118 786 HZ1 LYS 90 3HZ LYS 90 14.106 -3.677 7.617 787 HZ2 LYS 90 1HZ LYS 90 13.969 -3.205 9.232 788 HZ3 LYS 90 2HZ LYS 90 14.498 -2.096 8.070 789 H ARG 91 H ARG 91 9.541 2.535 7.060 790 HA ARG 91 HA ARG 91 8.705 3.050 9.675 791 HB2 ARG 91 2HB ARG 91 10.316 4.535 8.497 792 HB3 ARG 91 3HB ARG 91 9.029 5.098 7.432 793 HG2 ARG 91 2HG ARG 91 7.822 6.002 9.439 794 HG3 ARG 91 3HG ARG 91 9.190 5.520 10.440 795 HD2 ARG 91 2HD ARG 91 10.647 7.067 9.145 796 HD3 ARG 91 3HD ARG 91 9.242 7.555 8.191 797 HE ARG 91 HE ARG 91 8.249 8.265 10.417 798 HH11 ARG 91 1HH1 ARG 91 11.731 8.389 9.849 799 HH12 ARG 91 2HH1 ARG 91 11.985 9.673 10.992 800 HH21 ARG 91 1HH2 ARG 91 8.597 9.931 11.901 801 HH22 ARG 91 2HH2 ARG 91 10.201 10.547 12.160 802 H TRP 92 H TRP 92 7.045 3.956 6.582 803 HA TRP 92 HA TRP 92 4.849 5.210 7.698 804 HB2 TRP 92 2HB TRP 92 5.047 3.686 5.075 805 HB3 TRP 92 3HB TRP 92 3.670 4.697 5.512 806 HD1 TRP 92 HD1 TRP 92 6.567 4.927 3.429 807 HE1 TRP 92 HE1 TRP 92 7.355 7.339 3.079 808 HE3 TRP 92 HE3 TRP 92 4.001 7.213 7.234 809 HZ2 TRP 92 HZ2 TRP 92 6.949 9.866 4.221 810 HZ3 TRP 92 HZ3 TRP 92 4.253 9.645 7.523 811 HH2 TRP 92 HH2 TRP 92 5.701 10.945 6.043 812 H ILE 93 H ILE 93 5.411 1.764 7.375 813 HA ILE 93 HA ILE 93 2.673 0.932 7.799 814 HB ILE 93 HB ILE 93 5.319 -0.591 7.875 815 HG12 ILE 93 2HG1 ILE 93 3.115 -0.562 5.755 816 HG13 ILE 93 3HG1 ILE 93 4.620 0.344 5.649 817 HG21 ILE 93 1HG2 ILE 93 2.512 -1.754 8.003 818 HG22 ILE 93 2HG2 ILE 93 3.711 -1.781 9.297 819 HG23 ILE 93 3HG2 ILE 93 4.000 -2.684 7.810 820 HD11 ILE 93 3HD1 ILE 93 5.881 -1.737 5.621 821 HD12 ILE 93 1HD1 ILE 93 4.705 -1.657 4.308 822 HD13 ILE 93 2HD1 ILE 93 4.372 -2.655 5.725 823 H LYS 94 H LYS 94 5.681 0.819 9.766 824 HA LYS 94 HA LYS 94 4.827 0.221 12.284 825 HB2 LYS 94 2HB LYS 94 7.173 0.549 11.790 826 HB3 LYS 94 3HB LYS 94 6.906 2.212 11.292 827 HG2 LYS 94 2HG LYS 94 6.370 2.797 13.661 828 HG3 LYS 94 3HG LYS 94 6.754 1.134 14.123 829 HD2 LYS 94 2HD LYS 94 9.071 1.407 13.457 830 HD3 LYS 94 3HD LYS 94 8.732 2.972 12.713 831 HE2 LYS 94 2HE LYS 94 8.518 2.373 15.684 832 HE3 LYS 94 3HE LYS 94 9.870 3.185 14.897 833 HZ1 LYS 94 3HZ LYS 94 8.347 4.763 15.897 834 HZ2 LYS 94 1HZ LYS 94 7.075 4.175 14.956 835 HZ3 LYS 94 2HZ LYS 94 8.374 4.955 14.219 836 H GLU 95 H GLU 95 4.749 3.420 10.731 837 HA GLU 95 HA GLU 95 3.620 4.841 12.895 838 HB2 GLU 95 2HB GLU 95 3.475 5.534 9.928 839 HB3 GLU 95 3HB GLU 95 3.131 6.636 11.256 840 HG2 GLU 95 2HG GLU 95 5.805 5.449 10.486 841 HG3 GLU 95 3HG GLU 95 5.323 7.137 10.406 842 H PHE 96 H PHE 96 2.150 3.515 9.915 843 HA PHE 96 HA PHE 96 -0.425 4.516 10.130 844 HB2 PHE 96 2HB PHE 96 0.591 3.476 8.095 845 HB3 PHE 96 3HB PHE 96 0.441 1.889 8.833 846 HD1 PHE 96 HD1 PHE 96 -1.705 4.853 7.953 847 HD2 PHE 96 HD2 PHE 96 -1.402 0.595 8.170 848 HE1 PHE 96 HE1 PHE 96 -3.917 4.635 6.896 849 HE2 PHE 96 HE2 PHE 96 -3.613 0.383 7.122 850 HZ PHE 96 HZ PHE 96 -4.866 2.401 6.485 851 H SER 97 H SER 97 0.879 1.545 11.506 852 HA SER 97 HA SER 97 -1.590 0.472 12.482 853 HB2 SER 97 2HB SER 97 -0.005 -1.005 13.842 854 HB3 SER 97 3HB SER 97 0.226 -1.047 12.092 855 HG SER 97 HG SER 97 2.082 0.009 12.278 856 H GLU 98 H GLU 98 1.173 2.099 14.121 857 HA GLU 98 HA GLU 98 0.006 2.275 16.690 858 HB2 GLU 98 2HB GLU 98 2.181 4.012 15.449 859 HB3 GLU 98 3HB GLU 98 1.795 3.944 17.164 860 HG2 GLU 98 2HG GLU 98 2.864 1.651 15.493 861 HG3 GLU 98 3HG GLU 98 3.800 2.630 16.623 862 H GLU 99 H GLU 99 -0.362 4.283 13.863 863 HA GLU 99 HA GLU 99 -1.640 6.535 15.092 864 HB2 GLU 99 2HB GLU 99 -1.743 5.523 12.202 865 HB3 GLU 99 3HB GLU 99 -2.418 7.052 12.750 866 HG2 GLU 99 2HG GLU 99 0.503 6.285 12.724 867 HG3 GLU 99 3HG GLU 99 -0.293 7.386 11.609 868 H GLY 100 H GLY 100 -2.693 3.618 13.343 869 HA2 GLY 100 2HA GLY 100 -4.702 2.588 13.033 870 HA3 GLY 100 3HA GLY 100 -5.214 3.280 14.568 871 H GLY 101 H GLY 101 -6.211 5.361 14.579 872 HA2 GLY 101 2HA GLY 101 -6.586 7.483 13.501 873 HA3 GLY 101 3HA GLY 101 -6.738 6.658 11.960 874 H SER 102 H SER 102 -8.211 6.502 15.196 875 HA SER 102 HA SER 102 -10.803 5.760 14.359 876 HB2 SER 102 2HB SER 102 -9.967 7.221 16.906 877 HB3 SER 102 3HB SER 102 -11.493 6.364 16.657 878 HG SER 102 HG SER 102 -9.955 5.092 17.771 879 H LEU 103 H LEU 103 -9.362 8.937 15.133 880 HA LEU 103 HA LEU 103 -11.802 10.392 14.558 881 HB2 LEU 103 2HB LEU 103 -8.987 11.388 15.183 882 HB3 LEU 103 3HB LEU 103 -10.353 12.443 14.873 883 HG LEU 103 HG LEU 103 -11.511 11.311 16.890 884 HD11 LEU 103 1HD1 LEU 103 -8.699 10.375 17.504 885 HD12 LEU 103 2HD1 LEU 103 -10.079 9.348 17.105 886 HD13 LEU 103 3HD1 LEU 103 -10.088 10.294 18.592 887 HD21 LEU 103 3HD2 LEU 103 -10.405 12.787 18.512 888 HD22 LEU 103 1HD2 LEU 103 -10.667 13.601 16.971 889 HD23 LEU 103 2HD2 LEU 103 -9.055 13.020 17.397 890 H GLU 104 H GLU 104 -8.639 9.907 12.987 891 HA GLU 104 HA GLU 104 -9.450 11.408 10.627 892 HB2 GLU 104 2HB GLU 104 -7.170 10.877 9.754 893 HB3 GLU 104 3HB GLU 104 -7.172 11.760 11.272 894 HG2 GLU 104 2HG GLU 104 -6.237 10.030 12.457 895 HG3 GLU 104 3HG GLU 104 -6.959 8.784 11.448 896 H HIS 105 H HIS 105 -11.160 10.220 9.842 897 HA HIS 105 HA HIS 105 -10.336 8.020 8.050 898 HB2 HIS 105 2HB HIS 105 -12.525 6.874 8.381 899 HB3 HIS 105 3HB HIS 105 -11.597 6.921 9.873 900 HD1 HIS 105 HD1 HIS 105 -12.642 8.090 11.865 901 HD2 HIS 105 HD2 HIS 105 -14.874 8.564 8.390 902 HE1 HIS 105 HE1 HIS 105 -14.806 9.142 12.583 903 HE2 HIS 105 HE2 HIS 105 -16.181 9.300 10.487 904 H HIS 106 H HIS 106 -10.480 10.845 7.733 905 HA HIS 106 HA HIS 106 -12.927 11.827 6.713 906 HB2 HIS 106 2HB HIS 106 -11.170 13.266 7.713 907 HB3 HIS 106 3HB HIS 106 -10.090 12.905 6.374 908 HD1 HIS 106 HD1 HIS 106 -10.564 14.095 4.115 909 HD2 HIS 106 HD2 HIS 106 -13.121 15.228 7.193 910 HE1 HIS 106 HE1 HIS 106 -11.711 16.179 3.304 911 HE2 HIS 106 HE2 HIS 106 -13.352 16.755 5.123 912 H HIS 107 H HIS 107 -13.532 10.235 5.187 913 HA HIS 107 HA HIS 107 -11.981 9.664 2.835 914 HB2 HIS 107 2HB HIS 107 -13.901 8.276 2.140 915 HB3 HIS 107 3HB HIS 107 -13.412 7.921 3.793 916 HD1 HIS 107 HD1 HIS 107 -16.318 8.799 1.782 917 HD2 HIS 107 HD2 HIS 107 -15.255 9.072 5.786 918 HE1 HIS 107 HE1 HIS 107 -18.470 9.131 3.020 919 HE2 HIS 107 HE2 HIS 107 -17.784 9.448 5.416 920 H HIS 108 H HIS 108 -12.052 10.607 0.958 921 HA HIS 108 HA HIS 108 -13.947 12.811 0.389 922 HB2 HIS 108 2HB HIS 108 -12.036 13.643 -1.149 923 HB3 HIS 108 3HB HIS 108 -11.774 13.791 0.586 924 HD1 HIS 108 HD1 HIS 108 -10.495 12.008 -2.446 925 HD2 HIS 108 HD2 HIS 108 -9.780 12.079 1.651 926 HE1 HIS 108 HE1 HIS 108 -8.357 10.738 -2.098 927 HE2 HIS 108 HE2 HIS 108 -7.846 10.998 0.343 928 H HIS 109 H HIS 109 -14.496 13.066 -1.906 929 HA HIS 109 HA HIS 109 -14.449 10.637 -3.531 930 HB2 HIS 109 2HB HIS 109 -16.951 10.525 -3.627 931 HB3 HIS 109 3HB HIS 109 -16.319 10.191 -2.024 932 HD1 HIS 109 HD1 HIS 109 -18.461 12.573 -3.902 933 HD2 HIS 109 HD2 HIS 109 -16.890 12.173 -0.070 934 HE1 HIS 109 HE1 HIS 109 -19.744 14.190 -2.470 935 HE2 HIS 109 HE2 HIS 109 -18.845 13.849 -0.143 936 H HIS 110 H HIS 110 -15.709 10.978 -5.588 937 HA HIS 110 HA HIS 110 -15.126 13.637 -6.675 938 HB2 HIS 110 2HB HIS 110 -14.219 11.681 -7.900 939 HB3 HIS 110 3HB HIS 110 -15.848 11.054 -8.145 940 HD1 HIS 110 HD1 HIS 110 -17.303 12.213 -9.944 941 HD2 HIS 110 HD2 HIS 110 -13.534 13.929 -9.518 942 HE1 HIS 110 HE1 HIS 110 -17.049 13.785 -11.885 943 HE2 HIS 110 HE2 HIS 110 -14.721 14.698 -11.679 Start of MODEL 3 1 H1 MET 1 1H MET 1 -11.384 0.596 13.457 2 H2 MET 1 2H MET 1 -10.063 -0.456 13.507 3 H3 MET 1 3H MET 1 -11.523 -0.963 12.824 4 HA MET 1 HA MET 1 -11.334 0.565 11.057 5 HB2 MET 1 2HB MET 1 -10.195 2.394 12.232 6 HB3 MET 1 3HB MET 1 -8.732 1.432 12.384 7 HG2 MET 1 2HG MET 1 -8.392 1.488 9.973 8 HG3 MET 1 3HG MET 1 -9.925 2.313 9.742 9 HE1 MET 1 3HE MET 1 -9.169 5.829 11.320 10 HE2 MET 1 1HE MET 1 -9.860 4.451 12.175 11 HE3 MET 1 2HE MET 1 -10.382 4.824 10.530 12 H LEU 2 H LEU 2 -11.079 -0.876 9.478 13 HA LEU 2 HA LEU 2 -9.236 -3.047 9.490 14 HB2 LEU 2 2HB LEU 2 -10.799 -1.866 7.148 15 HB3 LEU 2 3HB LEU 2 -10.038 -3.448 7.178 16 HG LEU 2 HG LEU 2 -12.411 -2.587 8.876 17 HD11 LEU 2 1HD1 LEU 2 -12.294 -4.492 6.520 18 HD12 LEU 2 2HD1 LEU 2 -13.021 -2.883 6.537 19 HD13 LEU 2 3HD1 LEU 2 -13.711 -4.167 7.524 20 HD21 LEU 2 3HD2 LEU 2 -11.025 -5.282 8.745 21 HD22 LEU 2 1HD2 LEU 2 -12.540 -4.943 9.590 22 HD23 LEU 2 2HD2 LEU 2 -11.050 -4.170 10.118 23 H LEU 3 H LEU 3 -7.062 -2.835 9.149 24 HA LEU 3 HA LEU 3 -6.032 -0.534 7.602 25 HB2 LEU 3 2HB LEU 3 -4.734 -2.175 9.817 26 HB3 LEU 3 3HB LEU 3 -3.925 -0.894 8.928 27 HG LEU 3 HG LEU 3 -6.361 -0.507 10.716 28 HD11 LEU 3 1HD1 LEU 3 -4.354 -1.050 12.025 29 HD12 LEU 3 2HD1 LEU 3 -4.873 0.614 12.282 30 HD13 LEU 3 3HD1 LEU 3 -3.479 0.274 11.250 31 HD21 LEU 3 3HD2 LEU 3 -6.319 1.105 8.884 32 HD22 LEU 3 1HD2 LEU 3 -4.659 1.556 9.286 33 HD23 LEU 3 2HD2 LEU 3 -5.972 1.892 10.418 34 H TYR 4 H TYR 4 -5.469 -1.104 5.612 35 HA TYR 4 HA TYR 4 -4.134 -3.698 5.106 36 HB2 TYR 4 2HB TYR 4 -6.146 -2.234 3.336 37 HB3 TYR 4 3HB TYR 4 -5.183 -3.609 2.796 38 HD1 TYR 4 HD1 TYR 4 -5.422 -5.826 4.082 39 HD2 TYR 4 HD2 TYR 4 -8.229 -2.631 4.479 40 HE1 TYR 4 HE1 TYR 4 -7.065 -7.390 5.011 41 HE2 TYR 4 HE2 TYR 4 -9.878 -4.204 5.407 42 HH TYR 4 HH TYR 4 -10.331 -6.623 5.382 43 H VAL 5 H VAL 5 -2.508 -3.693 3.639 44 HA VAL 5 HA VAL 5 -1.303 -1.106 2.847 45 HB VAL 5 HB VAL 5 0.096 -3.657 3.835 46 HG11 VAL 5 1HG1 VAL 5 1.331 -1.013 3.022 47 HG12 VAL 5 2HG1 VAL 5 1.445 -2.529 2.125 48 HG13 VAL 5 3HG1 VAL 5 2.197 -2.385 3.717 49 HG21 VAL 5 3HG2 VAL 5 0.801 -2.319 5.797 50 HG22 VAL 5 1HG2 VAL 5 -0.959 -2.422 5.692 51 HG23 VAL 5 2HG2 VAL 5 -0.132 -0.944 5.200 52 H LEU 6 H LEU 6 -1.186 -0.963 0.634 53 HA LEU 6 HA LEU 6 -0.926 -3.426 -1.017 54 HB2 LEU 6 2HB LEU 6 -2.021 -0.686 -1.815 55 HB3 LEU 6 3HB LEU 6 -1.880 -2.071 -2.883 56 HG LEU 6 HG LEU 6 -3.753 -1.793 -0.506 57 HD11 LEU 6 1HD1 LEU 6 -4.366 -2.042 -3.469 58 HD12 LEU 6 2HD1 LEU 6 -4.498 -0.574 -2.497 59 HD13 LEU 6 3HD1 LEU 6 -5.552 -1.946 -2.161 60 HD21 LEU 6 3HD2 LEU 6 -3.342 -4.201 -2.292 61 HD22 LEU 6 1HD2 LEU 6 -4.643 -4.004 -1.115 62 HD23 LEU 6 2HD2 LEU 6 -2.972 -4.080 -0.568 63 H ILE 7 H ILE 7 1.191 -3.671 -1.650 64 HA ILE 7 HA ILE 7 2.877 -1.243 -1.879 65 HB ILE 7 HB ILE 7 3.620 -2.794 -0.144 66 HG12 ILE 7 2HG1 ILE 7 5.548 -2.855 -2.509 67 HG13 ILE 7 3HG1 ILE 7 5.346 -1.503 -1.398 68 HG21 ILE 7 1HG2 ILE 7 3.940 -4.908 -2.291 69 HG22 ILE 7 2HG2 ILE 7 2.715 -4.902 -1.022 70 HG23 ILE 7 3HG2 ILE 7 4.422 -5.066 -0.599 71 HD11 ILE 7 3HD1 ILE 7 6.161 -2.867 0.442 72 HD12 ILE 7 1HD1 ILE 7 7.324 -2.821 -0.879 73 HD13 ILE 7 2HD1 ILE 7 6.331 -4.254 -0.639 74 H ILE 8 H ILE 8 3.123 -0.587 -3.924 75 HA ILE 8 HA ILE 8 3.429 -2.509 -6.145 76 HB ILE 8 HB ILE 8 3.260 0.539 -6.322 77 HG12 ILE 8 2HG1 ILE 8 0.918 -1.387 -6.668 78 HG13 ILE 8 3HG1 ILE 8 1.196 -0.427 -5.222 79 HG21 ILE 8 1HG2 ILE 8 2.809 -1.608 -8.433 80 HG22 ILE 8 2HG2 ILE 8 4.209 -0.539 -8.319 81 HG23 ILE 8 3HG2 ILE 8 2.617 0.128 -8.686 82 HD11 ILE 8 3HD1 ILE 8 -0.477 0.586 -6.621 83 HD12 ILE 8 1HD1 ILE 8 0.648 0.660 -7.979 84 HD13 ILE 8 2HD1 ILE 8 0.947 1.618 -6.522 85 H SER 9 H SER 9 5.534 -3.209 -5.931 86 HA SER 9 HA SER 9 7.655 -1.429 -6.743 87 HB2 SER 9 2HB SER 9 7.654 -1.066 -4.257 88 HB3 SER 9 3HB SER 9 7.869 -2.798 -4.011 89 HG SER 9 HG SER 9 9.711 -0.880 -4.624 90 H ASN 10 H ASN 10 9.658 -2.638 -7.088 91 HA ASN 10 HA ASN 10 9.244 -5.511 -7.745 92 HB2 ASN 10 2HB ASN 10 10.976 -3.470 -9.237 93 HB3 ASN 10 3HB ASN 10 10.776 -5.166 -9.671 94 HD21 ASN 10 1HD2 ASN 10 9.181 -2.062 -9.483 95 HD22 ASN 10 2HD2 ASN 10 7.892 -2.439 -10.569 96 H ASP 11 H ASP 11 11.076 -3.149 -6.071 97 HA ASP 11 HA ASP 11 13.583 -4.487 -5.874 98 HB2 ASP 11 2HB ASP 11 13.200 -2.015 -5.428 99 HB3 ASP 11 3HB ASP 11 12.405 -2.453 -3.917 100 H LYS 12 H LYS 12 13.696 -6.452 -5.035 101 HA LYS 12 HA LYS 12 11.629 -7.671 -3.564 102 HB2 LYS 12 2HB LYS 12 14.475 -8.663 -4.008 103 HB3 LYS 12 3HB LYS 12 13.116 -9.649 -3.478 104 HG2 LYS 12 2HG LYS 12 13.379 -8.266 -6.161 105 HG3 LYS 12 3HG LYS 12 13.551 -9.997 -5.854 106 HD2 LYS 12 2HD LYS 12 11.183 -10.138 -5.188 107 HD3 LYS 12 3HD LYS 12 11.001 -8.394 -5.397 108 HE2 LYS 12 2HE LYS 12 11.510 -8.652 -7.811 109 HE3 LYS 12 3HE LYS 12 11.621 -10.400 -7.589 110 HZ1 LYS 12 3HZ LYS 12 9.458 -9.840 -8.410 111 HZ2 LYS 12 1HZ LYS 12 9.208 -8.713 -7.175 112 HZ3 LYS 12 2HZ LYS 12 9.290 -10.361 -6.812 113 H LYS 13 H LYS 13 14.606 -6.129 -2.470 114 HA LYS 13 HA LYS 13 14.510 -7.077 0.231 115 HB2 LYS 13 2HB LYS 13 15.858 -4.652 -1.019 116 HB3 LYS 13 3HB LYS 13 15.978 -5.023 0.700 117 HG2 LYS 13 2HG LYS 13 16.993 -7.246 0.100 118 HG3 LYS 13 3HG LYS 13 16.970 -6.753 -1.594 119 HD2 LYS 13 2HD LYS 13 19.204 -6.454 -0.509 120 HD3 LYS 13 3HD LYS 13 18.540 -4.953 -1.158 121 HE2 LYS 13 2HE LYS 13 19.618 -4.689 1.083 122 HE3 LYS 13 3HE LYS 13 17.924 -4.198 1.067 123 HZ1 LYS 13 3HZ LYS 13 18.986 -6.787 2.089 124 HZ2 LYS 13 1HZ LYS 13 17.353 -6.343 2.060 125 HZ3 LYS 13 2HZ LYS 13 18.439 -5.495 3.030 126 H LEU 14 H LEU 14 13.240 -4.198 -1.434 127 HA LEU 14 HA LEU 14 12.162 -2.898 0.824 128 HB2 LEU 14 2HB LEU 14 12.680 -1.922 -1.438 129 HB3 LEU 14 3HB LEU 14 11.254 -2.704 -2.080 130 HG LEU 14 HG LEU 14 10.933 -0.746 0.220 131 HD11 LEU 14 1HD1 LEU 14 11.281 0.093 -2.675 132 HD12 LEU 14 2HD1 LEU 14 12.378 0.448 -1.334 133 HD13 LEU 14 3HD1 LEU 14 10.757 1.141 -1.347 134 HD21 LEU 14 3HD2 LEU 14 9.164 -1.363 -2.169 135 HD22 LEU 14 1HD2 LEU 14 8.777 -0.250 -0.850 136 HD23 LEU 14 2HD2 LEU 14 8.940 -1.974 -0.530 137 H ILE 15 H ILE 15 10.746 -5.194 -1.479 138 HA ILE 15 HA ILE 15 8.061 -5.122 -0.612 139 HB ILE 15 HB ILE 15 9.614 -7.328 -2.032 140 HG12 ILE 15 2HG1 ILE 15 7.728 -5.235 -3.218 141 HG13 ILE 15 3HG1 ILE 15 9.484 -5.152 -3.277 142 HG21 ILE 15 1HG2 ILE 15 6.606 -7.074 -1.705 143 HG22 ILE 15 2HG2 ILE 15 7.638 -8.316 -0.991 144 HG23 ILE 15 3HG2 ILE 15 7.423 -8.248 -2.739 145 HD11 ILE 15 3HD1 ILE 15 9.529 -7.215 -4.607 146 HD12 ILE 15 1HD1 ILE 15 8.607 -5.927 -5.378 147 HD13 ILE 15 2HD1 ILE 15 7.763 -7.255 -4.585 148 H GLU 16 H GLU 16 10.660 -7.450 0.062 149 HA GLU 16 HA GLU 16 9.135 -9.099 1.777 150 HB2 GLU 16 2HB GLU 16 12.138 -8.868 1.427 151 HB3 GLU 16 3HB GLU 16 11.364 -10.109 2.408 152 HG2 GLU 16 2HG GLU 16 10.883 -9.699 -0.554 153 HG3 GLU 16 3HG GLU 16 11.986 -10.884 0.127 154 H GLU 17 H GLU 17 11.594 -6.588 2.579 155 HA GLU 17 HA GLU 17 11.437 -6.924 5.393 156 HB2 GLU 17 2HB GLU 17 12.330 -4.501 3.779 157 HB3 GLU 17 3HB GLU 17 12.535 -4.670 5.519 158 HG2 GLU 17 2HG GLU 17 13.939 -6.710 5.097 159 HG3 GLU 17 3HG GLU 17 13.791 -6.384 3.372 160 H ALA 18 H ALA 18 9.576 -4.883 3.157 161 HA ALA 18 HA ALA 18 8.099 -3.457 5.140 162 HB1 ALA 18 3HB ALA 18 7.341 -4.098 2.272 163 HB2 ALA 18 1HB ALA 18 8.235 -2.680 2.817 164 HB3 ALA 18 2HB ALA 18 6.553 -2.900 3.304 165 H ARG 19 H ARG 19 7.498 -6.487 3.349 166 HA ARG 19 HA ARG 19 4.924 -7.044 4.376 167 HB2 ARG 19 2HB ARG 19 5.870 -8.133 2.340 168 HB3 ARG 19 3HB ARG 19 6.998 -9.038 3.347 169 HG2 ARG 19 2HG ARG 19 5.134 -10.215 4.426 170 HG3 ARG 19 3HG ARG 19 3.969 -9.248 3.516 171 HD2 ARG 19 2HD ARG 19 4.248 -11.499 2.553 172 HD3 ARG 19 3HD ARG 19 4.737 -10.239 1.420 173 HE ARG 19 HE ARG 19 6.950 -10.934 1.601 174 HH11 ARG 19 1HH1 ARG 19 4.938 -12.831 3.794 175 HH12 ARG 19 2HH1 ARG 19 6.168 -14.030 4.048 176 HH21 ARG 19 1HH2 ARG 19 8.502 -12.510 1.949 177 HH22 ARG 19 2HH2 ARG 19 8.176 -13.847 3.007 178 H LYS 20 H LYS 20 8.161 -7.786 5.551 179 HA LYS 20 HA LYS 20 7.425 -9.487 7.692 180 HB2 LYS 20 2HB LYS 20 9.860 -7.683 7.399 181 HB3 LYS 20 3HB LYS 20 9.660 -8.865 8.680 182 HG2 LYS 20 2HG LYS 20 9.965 -9.439 5.718 183 HG3 LYS 20 3HG LYS 20 11.157 -9.715 6.976 184 HD2 LYS 20 2HD LYS 20 10.359 -11.870 6.735 185 HD3 LYS 20 3HD LYS 20 9.243 -11.307 7.976 186 HE2 LYS 20 2HE LYS 20 7.627 -10.736 6.081 187 HE3 LYS 20 3HE LYS 20 8.735 -11.575 4.996 188 HZ1 LYS 20 3HZ LYS 20 7.519 -12.837 7.384 189 HZ2 LYS 20 1HZ LYS 20 8.378 -13.600 6.150 190 HZ3 LYS 20 2HZ LYS 20 6.852 -12.934 5.835 191 H MET 21 H MET 21 7.970 -5.961 7.512 192 HA MET 21 HA MET 21 7.372 -5.317 10.195 193 HB2 MET 21 2HB MET 21 7.383 -3.738 7.610 194 HB3 MET 21 3HB MET 21 6.750 -2.987 9.070 195 HG2 MET 21 2HG MET 21 9.540 -4.110 8.736 196 HG3 MET 21 3HG MET 21 9.094 -2.408 8.711 197 HE1 MET 21 3HE MET 21 7.859 -1.901 12.443 198 HE2 MET 21 1HE MET 21 6.830 -2.442 11.117 199 HE3 MET 21 2HE MET 21 8.009 -1.150 10.855 200 H ALA 22 H ALA 22 5.274 -5.677 7.374 201 HA ALA 22 HA ALA 22 2.888 -4.750 8.542 202 HB1 ALA 22 3HB ALA 22 1.757 -5.902 6.693 203 HB2 ALA 22 1HB ALA 22 3.254 -6.765 6.306 204 HB3 ALA 22 2HB ALA 22 3.170 -5.012 6.126 205 H GLU 23 H GLU 23 4.296 -8.025 8.343 206 HA GLU 23 HA GLU 23 2.102 -9.351 9.648 207 HB2 GLU 23 2HB GLU 23 4.942 -10.256 9.020 208 HB3 GLU 23 3HB GLU 23 3.706 -11.315 9.692 209 HG2 GLU 23 2HG GLU 23 2.310 -10.973 7.668 210 HG3 GLU 23 3HG GLU 23 3.546 -9.913 6.997 211 H LYS 24 H LYS 24 5.089 -7.866 10.733 212 HA LYS 24 HA LYS 24 5.074 -8.743 13.453 213 HB2 LYS 24 2HB LYS 24 6.282 -6.288 12.111 214 HB3 LYS 24 3HB LYS 24 6.528 -6.660 13.816 215 HG2 LYS 24 2HG LYS 24 7.787 -8.627 13.313 216 HG3 LYS 24 3HG LYS 24 7.294 -8.605 11.617 217 HD2 LYS 24 2HD LYS 24 8.577 -6.494 11.285 218 HD3 LYS 24 3HD LYS 24 9.095 -6.550 12.972 219 HE2 LYS 24 2HE LYS 24 10.249 -8.703 12.525 220 HE3 LYS 24 3HE LYS 24 9.743 -8.611 10.836 221 HZ1 LYS 24 3HZ LYS 24 11.028 -6.562 10.617 222 HZ2 LYS 24 1HZ LYS 24 12.007 -7.848 11.106 223 HZ3 LYS 24 2HZ LYS 24 11.527 -6.679 12.227 224 H ALA 25 H ALA 25 3.682 -5.985 11.734 225 HA ALA 25 HA ALA 25 2.421 -4.839 14.105 226 HB1 ALA 25 3HB ALA 25 1.668 -3.078 12.555 227 HB2 ALA 25 1HB ALA 25 2.284 -4.002 11.178 228 HB3 ALA 25 2HB ALA 25 3.398 -3.365 12.391 229 H ASN 26 H ASN 26 1.686 -7.390 12.115 230 HA ASN 26 HA ASN 26 -0.059 -8.778 11.886 231 HB2 ASN 26 2HB ASN 26 -0.613 -8.235 14.258 232 HB3 ASN 26 3HB ASN 26 -1.621 -6.907 13.714 233 HD21 ASN 26 1HD2 ASN 26 -1.495 -10.153 12.241 234 HD22 ASN 26 2HD2 ASN 26 -3.107 -10.587 12.662 235 H LEU 27 H LEU 27 0.137 -5.839 10.563 236 HA LEU 27 HA LEU 27 -2.416 -5.446 9.326 237 HB2 LEU 27 2HB LEU 27 0.295 -4.383 8.415 238 HB3 LEU 27 3HB LEU 27 -1.284 -3.742 7.986 239 HG LEU 27 HG LEU 27 0.041 -3.623 10.718 240 HD11 LEU 27 1HD1 LEU 27 -0.664 -1.398 8.782 241 HD12 LEU 27 2HD1 LEU 27 0.954 -2.009 9.139 242 HD13 LEU 27 3HD1 LEU 27 0.029 -1.194 10.396 243 HD21 LEU 27 3HD2 LEU 27 -2.730 -2.672 9.951 244 HD22 LEU 27 1HD2 LEU 27 -1.904 -2.308 11.469 245 HD23 LEU 27 2HD2 LEU 27 -2.325 -3.971 11.076 246 H GLU 28 H GLU 28 -3.018 -5.881 7.170 247 HA GLU 28 HA GLU 28 -1.760 -8.223 5.949 248 HB2 GLU 28 2HB GLU 28 -4.378 -6.756 5.453 249 HB3 GLU 28 3HB GLU 28 -3.828 -8.060 4.410 250 HG2 GLU 28 2HG GLU 28 -4.281 -8.350 7.393 251 HG3 GLU 28 3HG GLU 28 -5.482 -8.748 6.167 252 H LEU 29 H LEU 29 -0.329 -8.032 4.367 253 HA LEU 29 HA LEU 29 -0.212 -5.557 2.729 254 HB2 LEU 29 2HB LEU 29 1.758 -5.853 4.129 255 HB3 LEU 29 3HB LEU 29 2.021 -7.472 3.518 256 HG LEU 29 HG LEU 29 2.025 -5.285 1.445 257 HD11 LEU 29 1HD1 LEU 29 4.334 -4.591 1.898 258 HD12 LEU 29 2HD1 LEU 29 4.334 -5.537 3.388 259 HD13 LEU 29 3HD1 LEU 29 3.257 -4.153 3.224 260 HD21 LEU 29 3HD2 LEU 29 3.820 -7.689 1.908 261 HD22 LEU 29 1HD2 LEU 29 3.908 -6.600 0.521 262 HD23 LEU 29 2HD2 LEU 29 2.474 -7.590 0.773 263 H ARG 30 H ARG 30 -0.684 -5.773 0.660 264 HA ARG 30 HA ARG 30 -0.696 -8.430 -0.645 265 HB2 ARG 30 2HB ARG 30 -2.328 -5.963 -1.396 266 HB3 ARG 30 3HB ARG 30 -2.402 -7.526 -2.186 267 HG2 ARG 30 2HG ARG 30 -3.272 -6.975 0.664 268 HG3 ARG 30 3HG ARG 30 -4.347 -7.067 -0.728 269 HD2 ARG 30 2HD ARG 30 -4.572 -9.183 0.233 270 HD3 ARG 30 3HD ARG 30 -3.370 -9.480 -1.021 271 HE ARG 30 HE ARG 30 -1.674 -9.550 0.665 272 HH11 ARG 30 1HH1 ARG 30 -4.945 -9.489 1.988 273 HH12 ARG 30 2HH1 ARG 30 -4.460 -10.113 3.535 274 HH21 ARG 30 1HH2 ARG 30 -1.059 -10.338 2.730 275 HH22 ARG 30 2HH2 ARG 30 -2.269 -10.590 3.950 276 H THR 31 H THR 31 0.799 -8.646 -2.217 277 HA THR 31 HA THR 31 2.432 -6.394 -3.071 278 HB THR 31 HB THR 31 3.653 -8.284 -4.366 279 HG1 THR 31 HG1 THR 31 1.957 -9.818 -4.346 280 HG21 THR 31 3HG2 THR 31 4.761 -9.158 -2.337 281 HG22 THR 31 1HG2 THR 31 3.442 -8.538 -1.338 282 HG23 THR 31 2HG2 THR 31 4.497 -7.419 -2.204 283 H VAL 32 H VAL 32 1.938 -5.237 -4.792 284 HA VAL 32 HA VAL 32 0.039 -6.221 -6.834 285 HB VAL 32 HB VAL 32 0.806 -3.334 -6.171 286 HG11 VAL 32 1HG1 VAL 32 -1.157 -2.720 -7.534 287 HG12 VAL 32 2HG1 VAL 32 -1.433 -4.420 -7.914 288 HG13 VAL 32 3HG1 VAL 32 0.032 -3.615 -8.482 289 HG21 VAL 32 3HG2 VAL 32 -1.391 -3.137 -5.047 290 HG22 VAL 32 1HG2 VAL 32 -0.368 -4.339 -4.255 291 HG23 VAL 32 2HG2 VAL 32 -1.682 -4.857 -5.310 292 H LYS 33 H LYS 33 0.833 -6.612 -8.818 293 HA LYS 33 HA LYS 33 3.512 -5.622 -9.586 294 HB2 LYS 33 2HB LYS 33 1.879 -7.946 -10.702 295 HB3 LYS 33 3HB LYS 33 3.493 -7.491 -11.244 296 HG2 LYS 33 2HG LYS 33 4.482 -8.122 -9.145 297 HG3 LYS 33 3HG LYS 33 2.908 -8.298 -8.371 298 HD2 LYS 33 2HD LYS 33 3.885 -10.047 -10.665 299 HD3 LYS 33 3HD LYS 33 4.023 -10.487 -8.963 300 HE2 LYS 33 2HE LYS 33 1.567 -10.461 -8.740 301 HE3 LYS 33 3HE LYS 33 1.404 -9.962 -10.425 302 HZ1 LYS 33 3HZ LYS 33 2.575 -12.529 -9.482 303 HZ2 LYS 33 1HZ LYS 33 2.423 -12.063 -11.096 304 HZ3 LYS 33 2HZ LYS 33 1.038 -12.339 -10.162 305 H THR 34 H THR 34 0.173 -5.921 -10.742 306 HA THR 34 HA THR 34 0.702 -3.927 -12.883 307 HB THR 34 HB THR 34 -1.171 -5.005 -14.157 308 HG1 THR 34 HG1 THR 34 -1.002 -6.985 -12.103 309 HG21 THR 34 3HG2 THR 34 0.053 -7.009 -14.908 310 HG22 THR 34 1HG2 THR 34 1.092 -6.924 -13.483 311 HG23 THR 34 2HG2 THR 34 1.153 -5.645 -14.700 312 H GLU 35 H GLU 35 -1.152 -2.567 -13.450 313 HA GLU 35 HA GLU 35 -2.242 -1.256 -11.221 314 HB2 GLU 35 2HB GLU 35 -3.450 0.155 -12.807 315 HB3 GLU 35 3HB GLU 35 -1.818 -0.138 -13.397 316 HG2 GLU 35 2HG GLU 35 -2.646 -1.783 -15.003 317 HG3 GLU 35 3HG GLU 35 -4.276 -1.633 -14.359 318 H ASP 36 H ASP 36 -3.593 -3.738 -13.323 319 HA ASP 36 HA ASP 36 -6.322 -3.466 -12.656 320 HB2 ASP 36 2HB ASP 36 -5.428 -4.683 -14.665 321 HB3 ASP 36 3HB ASP 36 -4.869 -5.978 -13.611 322 H GLU 37 H GLU 37 -3.675 -5.253 -11.145 323 HA GLU 37 HA GLU 37 -5.237 -6.740 -9.291 324 HB2 GLU 37 2HB GLU 37 -2.315 -5.875 -9.151 325 HB3 GLU 37 3HB GLU 37 -3.079 -6.984 -8.010 326 HG2 GLU 37 2HG GLU 37 -3.541 -8.571 -9.834 327 HG3 GLU 37 3HG GLU 37 -2.810 -7.465 -10.995 328 H LEU 38 H LEU 38 -3.635 -3.563 -9.168 329 HA LEU 38 HA LEU 38 -4.073 -2.909 -6.462 330 HB2 LEU 38 2HB LEU 38 -2.581 -1.749 -8.246 331 HB3 LEU 38 3HB LEU 38 -4.019 -0.911 -8.776 332 HG LEU 38 HG LEU 38 -2.430 0.408 -7.283 333 HD11 LEU 38 1HD1 LEU 38 -4.134 1.527 -5.951 334 HD12 LEU 38 2HD1 LEU 38 -5.257 0.196 -6.239 335 HD13 LEU 38 3HD1 LEU 38 -4.708 1.194 -7.584 336 HD21 LEU 38 3HD2 LEU 38 -3.473 -1.395 -5.079 337 HD22 LEU 38 1HD2 LEU 38 -2.463 0.038 -4.865 338 HD23 LEU 38 2HD2 LEU 38 -1.826 -1.369 -5.712 339 H LYS 39 H LYS 39 -6.005 -2.332 -9.376 340 HA LYS 39 HA LYS 39 -8.187 -0.965 -8.267 341 HB2 LYS 39 2HB LYS 39 -8.090 -2.789 -10.707 342 HB3 LYS 39 3HB LYS 39 -9.410 -1.682 -10.332 343 HG2 LYS 39 2HG LYS 39 -7.930 0.248 -10.604 344 HG3 LYS 39 3HG LYS 39 -6.544 -0.820 -10.845 345 HD2 LYS 39 2HD LYS 39 -7.314 0.044 -13.008 346 HD3 LYS 39 3HD LYS 39 -7.586 -1.699 -12.927 347 HE2 LYS 39 2HE LYS 39 -9.973 -1.287 -12.401 348 HE3 LYS 39 3HE LYS 39 -9.687 0.452 -12.488 349 HZ1 LYS 39 3HZ LYS 39 -9.345 -1.459 -14.744 350 HZ2 LYS 39 1HZ LYS 39 -9.083 0.211 -14.808 351 HZ3 LYS 39 2HZ LYS 39 -10.637 -0.387 -14.537 352 H LYS 40 H LYS 40 -7.741 -4.509 -8.839 353 HA LYS 40 HA LYS 40 -10.376 -5.185 -8.009 354 HB2 LYS 40 2HB LYS 40 -9.814 -7.478 -8.183 355 HB3 LYS 40 3HB LYS 40 -8.898 -6.675 -9.449 356 HG2 LYS 40 2HG LYS 40 -6.841 -7.043 -8.392 357 HG3 LYS 40 3HG LYS 40 -7.559 -7.234 -6.796 358 HD2 LYS 40 2HD LYS 40 -7.707 -9.243 -9.082 359 HD3 LYS 40 3HD LYS 40 -6.703 -9.377 -7.637 360 HE2 LYS 40 2HE LYS 40 -9.735 -9.487 -7.774 361 HE3 LYS 40 3HE LYS 40 -8.639 -10.787 -7.322 362 HZ1 LYS 40 3HZ LYS 40 -9.651 -9.866 -5.369 363 HZ2 LYS 40 1HZ LYS 40 -9.146 -8.302 -5.776 364 HZ3 LYS 40 2HZ LYS 40 -8.005 -9.476 -5.362 365 H TYR 41 H TYR 41 -7.343 -4.839 -6.213 366 HA TYR 41 HA TYR 41 -8.249 -6.010 -3.780 367 HB2 TYR 41 2HB TYR 41 -6.102 -3.886 -4.233 368 HB3 TYR 41 3HB TYR 41 -6.413 -4.653 -2.677 369 HD1 TYR 41 HD1 TYR 41 -6.712 -7.482 -3.253 370 HD2 TYR 41 HD2 TYR 41 -4.026 -4.676 -5.037 371 HE1 TYR 41 HE1 TYR 41 -5.184 -9.305 -3.849 372 HE2 TYR 41 HE2 TYR 41 -2.506 -6.507 -5.635 373 HH TYR 41 HH TYR 41 -2.004 -8.793 -5.032 374 H LEU 42 H LEU 42 -8.189 -2.659 -4.998 375 HA LEU 42 HA LEU 42 -9.363 -1.368 -2.822 376 HB2 LEU 42 2HB LEU 42 -9.490 -0.688 -5.783 377 HB3 LEU 42 3HB LEU 42 -10.063 0.387 -4.519 378 HG LEU 42 HG LEU 42 -7.181 -0.492 -4.954 379 HD11 LEU 42 1HD1 LEU 42 -7.958 1.152 -6.590 380 HD12 LEU 42 2HD1 LEU 42 -6.767 1.862 -5.503 381 HD13 LEU 42 3HD1 LEU 42 -8.483 2.228 -5.292 382 HD21 LEU 42 3HD2 LEU 42 -8.296 1.327 -2.791 383 HD22 LEU 42 1HD2 LEU 42 -6.583 1.063 -3.131 384 HD23 LEU 42 2HD2 LEU 42 -7.580 -0.270 -2.558 385 H GLU 43 H GLU 43 -10.964 -2.838 -5.661 386 HA GLU 43 HA GLU 43 -13.632 -2.119 -5.053 387 HB2 GLU 43 2HB GLU 43 -12.516 -4.425 -6.692 388 HB3 GLU 43 3HB GLU 43 -14.234 -4.034 -6.615 389 HG2 GLU 43 2HG GLU 43 -13.842 -1.847 -7.592 390 HG3 GLU 43 3HG GLU 43 -12.099 -2.101 -7.547 391 H GLU 44 H GLU 44 -11.711 -4.913 -4.198 392 HA GLU 44 HA GLU 44 -13.687 -6.469 -2.885 393 HB2 GLU 44 2HB GLU 44 -11.435 -7.202 -3.817 394 HB3 GLU 44 3HB GLU 44 -10.668 -6.432 -2.433 395 HG2 GLU 44 2HG GLU 44 -11.764 -8.002 -0.916 396 HG3 GLU 44 3HG GLU 44 -12.659 -8.716 -2.262 397 H PHE 45 H PHE 45 -11.352 -4.025 -1.809 398 HA PHE 45 HA PHE 45 -12.017 -4.050 0.961 399 HB2 PHE 45 2HB PHE 45 -10.568 -1.977 -0.741 400 HB3 PHE 45 3HB PHE 45 -10.693 -1.893 1.009 401 HD1 PHE 45 HD2 PHE 45 -10.317 -5.163 1.089 402 HD2 PHE 45 HD1 PHE 45 -8.090 -1.838 -0.446 403 HE1 PHE 45 HE2 PHE 45 -8.238 -6.459 1.262 404 HE2 PHE 45 HE1 PHE 45 -6.022 -3.154 -0.262 405 HZ PHE 45 HZ PHE 45 -6.090 -5.462 0.589 406 H ARG 46 H ARG 46 -13.522 -2.543 -1.777 407 HA ARG 46 HA ARG 46 -14.912 -0.456 -0.371 408 HB2 ARG 46 2HB ARG 46 -15.316 -1.753 -3.091 409 HB3 ARG 46 3HB ARG 46 -16.418 -0.518 -2.483 410 HG2 ARG 46 2HG ARG 46 -14.706 1.145 -2.446 411 HG3 ARG 46 3HG ARG 46 -13.434 -0.051 -2.703 412 HD2 ARG 46 2HD ARG 46 -13.958 1.309 -4.729 413 HD3 ARG 46 3HD ARG 46 -14.155 -0.426 -4.976 414 HE ARG 46 HE ARG 46 -16.621 0.776 -4.233 415 HH11 ARG 46 1HH1 ARG 46 -14.458 0.506 -7.007 416 HH12 ARG 46 2HH1 ARG 46 -15.731 0.716 -8.167 417 HH21 ARG 46 1HH2 ARG 46 -18.282 0.961 -5.757 418 HH22 ARG 46 2HH2 ARG 46 -17.908 0.971 -7.455 419 H LYS 47 H LYS 47 -15.574 -3.825 -1.110 420 HA LYS 47 HA LYS 47 -18.277 -4.046 -0.323 421 HB2 LYS 47 2HB LYS 47 -16.076 -6.134 0.016 422 HB3 LYS 47 3HB LYS 47 -17.810 -6.451 -0.024 423 HG2 LYS 47 2HG LYS 47 -17.911 -5.754 -2.372 424 HG3 LYS 47 3HG LYS 47 -16.186 -5.359 -2.344 425 HD2 LYS 47 2HD LYS 47 -15.681 -7.758 -1.828 426 HD3 LYS 47 3HD LYS 47 -17.404 -8.127 -1.956 427 HE2 LYS 47 2HE LYS 47 -15.628 -7.072 -4.178 428 HE3 LYS 47 3HE LYS 47 -16.233 -8.720 -4.018 429 HZ1 LYS 47 3HZ LYS 47 -17.550 -7.515 -5.590 430 HZ2 LYS 47 1HZ LYS 47 -17.871 -6.285 -4.469 431 HZ3 LYS 47 2HZ LYS 47 -18.493 -7.838 -4.225 432 H GLU 48 H GLU 48 -15.325 -3.785 1.488 433 HA GLU 48 HA GLU 48 -16.770 -3.829 4.072 434 HB2 GLU 48 2HB GLU 48 -14.738 -4.873 5.078 435 HB3 GLU 48 3HB GLU 48 -15.507 -5.913 3.885 436 HG2 GLU 48 2HG GLU 48 -13.791 -5.181 2.206 437 HG3 GLU 48 3HG GLU 48 -12.980 -4.266 3.482 438 H SER 49 H SER 49 -16.334 -1.575 2.422 439 HA SER 49 HA SER 49 -14.142 0.015 3.284 440 HB2 SER 49 2HB SER 49 -15.478 1.923 2.346 441 HB3 SER 49 3HB SER 49 -15.346 0.557 1.243 442 HG SER 49 HG SER 49 -17.429 0.452 1.228 443 H GLN 50 H GLN 50 -16.614 -1.117 5.129 444 HA GLN 50 HA GLN 50 -17.392 0.854 6.882 445 HB2 GLN 50 2HB GLN 50 -17.750 -1.044 8.493 446 HB3 GLN 50 3HB GLN 50 -18.427 -1.309 6.896 447 HG2 GLN 50 2HG GLN 50 -16.433 -2.731 6.338 448 HG3 GLN 50 3HG GLN 50 -15.895 -2.554 8.009 449 HE21 GLN 50 1HE2 GLN 50 -17.167 -3.553 9.681 450 HE22 GLN 50 2HE2 GLN 50 -18.217 -4.867 9.315 451 H ASN 51 H ASN 51 -15.728 2.305 7.246 452 HA ASN 51 HA ASN 51 -14.023 3.350 8.285 453 HB2 ASN 51 2HB ASN 51 -14.515 1.180 10.357 454 HB3 ASN 51 3HB ASN 51 -13.355 2.474 10.610 455 HD21 ASN 51 1HD2 ASN 51 -16.556 2.816 9.044 456 HD22 ASN 51 2HD2 ASN 51 -17.218 3.813 10.284 457 H ILE 52 H ILE 52 -12.824 2.569 6.353 458 HA ILE 52 HA ILE 52 -10.690 0.608 7.015 459 HB ILE 52 HB ILE 52 -12.400 -0.131 5.255 460 HG12 ILE 52 2HG1 ILE 52 -9.536 -0.016 4.205 461 HG13 ILE 52 3HG1 ILE 52 -10.060 -1.098 5.490 462 HG21 ILE 52 1HG2 ILE 52 -12.201 0.730 2.960 463 HG22 ILE 52 2HG2 ILE 52 -11.025 1.931 3.494 464 HG23 ILE 52 3HG2 ILE 52 -12.691 2.014 4.071 465 HD11 ILE 52 3HD1 ILE 52 -11.609 -2.186 3.961 466 HD12 ILE 52 1HD1 ILE 52 -9.954 -2.237 3.361 467 HD13 ILE 52 2HD1 ILE 52 -11.106 -1.100 2.663 468 H LYS 53 H LYS 53 -8.629 1.005 6.332 469 HA LYS 53 HA LYS 53 -7.936 3.518 4.966 470 HB2 LYS 53 2HB LYS 53 -6.908 2.453 7.591 471 HB3 LYS 53 3HB LYS 53 -5.712 3.123 6.499 472 HG2 LYS 53 2HG LYS 53 -7.110 5.250 6.447 473 HG3 LYS 53 3HG LYS 53 -8.045 4.558 7.781 474 HD2 LYS 53 2HD LYS 53 -6.094 4.468 9.207 475 HD3 LYS 53 3HD LYS 53 -5.023 4.875 7.869 476 HE2 LYS 53 2HE LYS 53 -5.268 6.828 9.231 477 HE3 LYS 53 3HE LYS 53 -6.164 7.116 7.739 478 HZ1 LYS 53 3HZ LYS 53 -7.326 6.268 10.333 479 HZ2 LYS 53 1HZ LYS 53 -8.200 6.530 8.911 480 HZ3 LYS 53 2HZ LYS 53 -7.412 7.821 9.670 481 H VAL 54 H VAL 54 -6.633 3.163 3.279 482 HA VAL 54 HA VAL 54 -5.136 0.612 3.044 483 HB VAL 54 HB VAL 54 -6.198 2.407 0.814 484 HG11 VAL 54 1HG1 VAL 54 -5.474 0.643 -0.739 485 HG12 VAL 54 2HG1 VAL 54 -4.780 -0.261 0.609 486 HG13 VAL 54 3HG1 VAL 54 -4.107 1.307 0.161 487 HG21 VAL 54 3HG2 VAL 54 -8.023 1.182 1.948 488 HG22 VAL 54 1HG2 VAL 54 -7.175 -0.343 1.673 489 HG23 VAL 54 2HG2 VAL 54 -7.786 0.586 0.303 490 H LEU 55 H LEU 55 -2.945 0.788 2.980 491 HA LEU 55 HA LEU 55 -1.646 3.430 2.618 492 HB2 LEU 55 2HB LEU 55 -1.303 2.220 4.818 493 HB3 LEU 55 3HB LEU 55 -0.556 0.902 3.937 494 HG LEU 55 HG LEU 55 1.178 2.641 3.109 495 HD11 LEU 55 1HD1 LEU 55 -0.029 4.673 3.663 496 HD12 LEU 55 2HD1 LEU 55 1.526 4.621 4.489 497 HD13 LEU 55 3HD1 LEU 55 0.042 4.278 5.384 498 HD21 LEU 55 3HD2 LEU 55 1.735 0.912 4.743 499 HD22 LEU 55 1HD2 LEU 55 1.154 1.938 6.057 500 HD23 LEU 55 2HD2 LEU 55 2.566 2.420 5.115 501 H ILE 56 H ILE 56 -1.080 3.560 0.455 502 HA ILE 56 HA ILE 56 -0.151 1.111 -0.899 503 HB ILE 56 HB ILE 56 -0.992 3.753 -2.186 504 HG12 ILE 56 2HG1 ILE 56 -2.464 1.077 -2.008 505 HG13 ILE 56 3HG1 ILE 56 -2.919 2.551 -1.168 506 HG21 ILE 56 1HG2 ILE 56 -0.272 1.077 -3.455 507 HG22 ILE 56 2HG2 ILE 56 0.689 2.554 -3.536 508 HG23 ILE 56 3HG2 ILE 56 -0.886 2.485 -4.322 509 HD11 ILE 56 3HD1 ILE 56 -3.430 3.613 -3.310 510 HD12 ILE 56 1HD1 ILE 56 -4.355 2.132 -3.064 511 HD13 ILE 56 2HD1 ILE 56 -2.971 2.133 -4.158 512 H LEU 57 H LEU 57 2.002 0.820 -0.715 513 HA LEU 57 HA LEU 57 3.879 3.111 -0.642 514 HB2 LEU 57 2HB LEU 57 4.403 0.110 -0.311 515 HB3 LEU 57 3HB LEU 57 5.650 1.339 -0.277 516 HG LEU 57 HG LEU 57 5.243 0.636 1.978 517 HD11 LEU 57 1HD1 LEU 57 5.687 3.009 1.730 518 HD12 LEU 57 2HD1 LEU 57 4.645 2.693 3.114 519 HD13 LEU 57 3HD1 LEU 57 3.956 3.344 1.623 520 HD21 LEU 57 3HD2 LEU 57 3.020 -0.335 1.687 521 HD22 LEU 57 1HD2 LEU 57 2.309 1.279 1.614 522 HD23 LEU 57 2HD2 LEU 57 3.088 0.717 3.097 523 H VAL 58 H VAL 58 4.487 3.811 -2.614 524 HA VAL 58 HA VAL 58 4.603 1.920 -4.896 525 HB VAL 58 HB VAL 58 4.273 3.844 -6.348 526 HG11 VAL 58 1HG1 VAL 58 2.192 3.799 -4.141 527 HG12 VAL 58 2HG1 VAL 58 2.253 2.740 -5.552 528 HG13 VAL 58 3HG1 VAL 58 1.956 4.466 -5.762 529 HG21 VAL 58 3HG2 VAL 58 3.864 6.095 -5.540 530 HG22 VAL 58 1HG2 VAL 58 5.453 5.551 -5.023 531 HG23 VAL 58 2HG2 VAL 58 4.113 5.586 -3.874 532 H SER 59 H SER 59 6.375 2.222 -6.411 533 HA SER 59 HA SER 59 8.892 2.666 -5.057 534 HB2 SER 59 2HB SER 59 8.585 0.750 -6.582 535 HB3 SER 59 3HB SER 59 8.316 1.847 -7.936 536 HG SER 59 HG SER 59 10.611 2.571 -6.871 537 H ASN 60 H ASN 60 7.039 4.308 -7.598 538 HA ASN 60 HA ASN 60 8.973 6.564 -7.607 539 HB2 ASN 60 2HB ASN 60 7.638 5.401 -10.101 540 HB3 ASN 60 3HB ASN 60 8.712 6.791 -10.066 541 HD21 ASN 60 1HD2 ASN 60 8.506 3.323 -9.891 542 HD22 ASN 60 2HD2 ASN 60 10.199 3.005 -10.038 543 H ASP 61 H ASP 61 8.034 8.549 -8.612 544 HA ASP 61 HA ASP 61 5.560 9.269 -7.432 545 HB2 ASP 61 2HB ASP 61 5.842 11.462 -8.472 546 HB3 ASP 61 3HB ASP 61 7.372 10.915 -7.801 547 H GLU 62 H GLU 62 6.310 7.943 -10.546 548 HA GLU 62 HA GLU 62 4.041 8.700 -12.033 549 HB2 GLU 62 2HB GLU 62 6.139 7.720 -12.960 550 HB3 GLU 62 3HB GLU 62 5.710 6.163 -12.255 551 HG2 GLU 62 2HG GLU 62 3.694 6.083 -13.682 552 HG3 GLU 62 3HG GLU 62 4.127 7.637 -14.391 553 H GLU 63 H GLU 63 4.663 5.645 -10.234 554 HA GLU 63 HA GLU 63 1.946 4.744 -10.410 555 HB2 GLU 63 2HB GLU 63 2.670 3.034 -8.597 556 HB3 GLU 63 3HB GLU 63 3.340 2.903 -10.203 557 HG2 GLU 63 2HG GLU 63 4.958 4.470 -8.265 558 HG3 GLU 63 3HG GLU 63 4.802 2.749 -7.932 559 H LEU 64 H LEU 64 3.702 6.722 -8.113 560 HA LEU 64 HA LEU 64 1.904 6.845 -5.968 561 HB2 LEU 64 2HB LEU 64 4.099 8.016 -6.055 562 HB3 LEU 64 3HB LEU 64 3.468 9.105 -7.273 563 HG LEU 64 HG LEU 64 1.839 9.990 -5.553 564 HD11 LEU 64 1HD1 LEU 64 2.243 9.543 -3.183 565 HD12 LEU 64 2HD1 LEU 64 3.450 8.326 -3.604 566 HD13 LEU 64 3HD1 LEU 64 1.759 8.087 -4.046 567 HD21 LEU 64 3HD2 LEU 64 3.473 11.372 -4.361 568 HD22 LEU 64 1HD2 LEU 64 3.919 11.200 -6.058 569 HD23 LEU 64 2HD2 LEU 64 4.775 10.271 -4.824 570 H ASP 65 H ASP 65 1.931 8.707 -9.028 571 HA ASP 65 HA ASP 65 -0.468 10.126 -8.615 572 HB2 ASP 65 2HB ASP 65 1.262 10.851 -10.228 573 HB3 ASP 65 3HB ASP 65 0.945 9.437 -11.230 574 H LYS 66 H LYS 66 0.284 7.072 -10.174 575 HA LYS 66 HA LYS 66 -2.152 6.494 -11.430 576 HB2 LYS 66 2HB LYS 66 0.037 5.304 -11.803 577 HB3 LYS 66 3HB LYS 66 -0.135 4.557 -10.220 578 HG2 LYS 66 2HG LYS 66 -0.767 2.952 -11.886 579 HG3 LYS 66 3HG LYS 66 -2.229 3.440 -11.022 580 HD2 LYS 66 2HD LYS 66 -2.834 4.949 -12.888 581 HD3 LYS 66 3HD LYS 66 -1.347 4.508 -13.735 582 HE2 LYS 66 2HE LYS 66 -2.189 2.111 -13.717 583 HE3 LYS 66 3HE LYS 66 -3.733 2.740 -13.138 584 HZ1 LYS 66 3HZ LYS 66 -2.409 3.553 -15.666 585 HZ2 LYS 66 1HZ LYS 66 -3.930 4.051 -15.131 586 HZ3 LYS 66 2HZ LYS 66 -3.669 2.435 -15.554 587 H ALA 67 H ALA 67 -0.912 5.594 -8.222 588 HA ALA 67 HA ALA 67 -3.152 4.049 -7.415 589 HB1 ALA 67 3HB ALA 67 -0.902 3.686 -6.539 590 HB2 ALA 67 1HB ALA 67 -2.031 4.018 -5.229 591 HB3 ALA 67 2HB ALA 67 -0.915 5.277 -5.775 592 H LYS 68 H LYS 68 -2.225 7.465 -6.941 593 HA LYS 68 HA LYS 68 -4.270 8.203 -5.123 594 HB2 LYS 68 2HB LYS 68 -2.791 9.858 -7.219 595 HB3 LYS 68 3HB LYS 68 -3.947 10.561 -6.093 596 HG2 LYS 68 2HG LYS 68 -2.504 9.779 -4.196 597 HG3 LYS 68 3HG LYS 68 -1.324 9.210 -5.370 598 HD2 LYS 68 2HD LYS 68 -2.222 12.111 -5.122 599 HD3 LYS 68 3HD LYS 68 -0.795 11.456 -4.329 600 HE2 LYS 68 2HE LYS 68 -0.004 12.569 -6.268 601 HE3 LYS 68 3HE LYS 68 0.066 10.854 -6.662 602 HZ1 LYS 68 3HZ LYS 68 -2.084 12.733 -7.507 603 HZ2 LYS 68 1HZ LYS 68 -1.971 11.107 -7.945 604 HZ3 LYS 68 2HZ LYS 68 -0.807 12.208 -8.484 605 H GLU 69 H GLU 69 -4.133 8.217 -8.687 606 HA GLU 69 HA GLU 69 -6.656 9.295 -9.250 607 HB2 GLU 69 2HB GLU 69 -4.755 7.515 -10.784 608 HB3 GLU 69 3HB GLU 69 -6.353 7.821 -11.450 609 HG2 GLU 69 2HG GLU 69 -4.363 9.978 -10.708 610 HG3 GLU 69 3HG GLU 69 -4.597 9.336 -12.331 611 H LEU 70 H LEU 70 -5.695 5.867 -9.041 612 HA LEU 70 HA LEU 70 -8.217 4.754 -9.625 613 HB2 LEU 70 2HB LEU 70 -5.862 3.545 -8.109 614 HB3 LEU 70 3HB LEU 70 -7.236 2.626 -8.703 615 HG LEU 70 HG LEU 70 -5.230 4.115 -10.452 616 HD11 LEU 70 1HD1 LEU 70 -5.525 1.125 -10.019 617 HD12 LEU 70 2HD1 LEU 70 -4.212 2.143 -9.423 618 HD13 LEU 70 3HD1 LEU 70 -4.423 1.908 -11.156 619 HD21 LEU 70 3HD2 LEU 70 -7.544 2.337 -11.292 620 HD22 LEU 70 1HD2 LEU 70 -6.323 3.022 -12.368 621 HD23 LEU 70 2HD2 LEU 70 -7.434 4.086 -11.510 622 H ALA 71 H ALA 71 -6.596 5.436 -6.504 623 HA ALA 71 HA ALA 71 -8.506 4.456 -4.722 624 HB1 ALA 71 3HB ALA 71 -7.456 5.947 -3.066 625 HB2 ALA 71 1HB ALA 71 -6.645 6.829 -4.370 626 HB3 ALA 71 2HB ALA 71 -6.245 5.140 -4.061 627 H GLN 72 H GLN 72 -8.325 7.628 -6.311 628 HA GLN 72 HA GLN 72 -10.493 8.847 -4.912 629 HB2 GLN 72 2HB GLN 72 -9.087 9.538 -7.517 630 HB3 GLN 72 3HB GLN 72 -10.408 10.514 -6.875 631 HG2 GLN 72 2HG GLN 72 -9.113 11.000 -4.851 632 HG3 GLN 72 3HG GLN 72 -7.803 9.956 -5.407 633 HE21 GLN 72 1HE2 GLN 72 -6.479 10.682 -7.137 634 HE22 GLN 72 2HE2 GLN 72 -6.420 12.342 -7.606 635 H LYS 73 H LYS 73 -10.286 7.021 -7.976 636 HA LYS 73 HA LYS 73 -13.030 7.435 -8.734 637 HB2 LYS 73 2HB LYS 73 -11.207 5.152 -9.613 638 HB3 LYS 73 3HB LYS 73 -12.673 5.696 -10.419 639 HG2 LYS 73 2HG LYS 73 -10.034 7.152 -10.223 640 HG3 LYS 73 3HG LYS 73 -10.787 6.483 -11.666 641 HD2 LYS 73 2HD LYS 73 -12.594 8.168 -11.508 642 HD3 LYS 73 3HD LYS 73 -11.851 8.834 -10.048 643 HE2 LYS 73 2HE LYS 73 -10.663 8.816 -12.848 644 HE3 LYS 73 3HE LYS 73 -11.254 10.220 -11.960 645 HZ1 LYS 73 3HZ LYS 73 -8.854 10.104 -11.884 646 HZ2 LYS 73 1HZ LYS 73 -8.907 8.550 -11.216 647 HZ3 LYS 73 2HZ LYS 73 -9.480 9.874 -10.331 648 H MET 74 H MET 74 -11.447 5.316 -6.518 649 HA MET 74 HA MET 74 -13.774 3.561 -6.148 650 HB2 MET 74 2HB MET 74 -11.073 3.603 -4.723 651 HB3 MET 74 3HB MET 74 -12.319 2.373 -4.540 652 HG2 MET 74 2HG MET 74 -10.800 2.967 -7.071 653 HG3 MET 74 3HG MET 74 -10.504 1.624 -5.972 654 HE1 MET 74 3HE MET 74 -11.878 -0.305 -8.964 655 HE2 MET 74 1HE MET 74 -10.673 -0.244 -7.675 656 HE3 MET 74 2HE MET 74 -10.717 1.024 -8.911 657 H GLU 75 H GLU 75 -12.615 6.528 -5.031 658 HA GLU 75 HA GLU 75 -13.168 7.998 -3.413 659 HB2 GLU 75 2HB GLU 75 -15.614 6.206 -3.120 660 HB3 GLU 75 3HB GLU 75 -15.479 7.825 -2.440 661 HG2 GLU 75 2HG GLU 75 -15.382 8.819 -4.650 662 HG3 GLU 75 3HG GLU 75 -15.298 7.234 -5.414 663 H ILE 76 H ILE 76 -11.657 5.443 -2.620 664 HA ILE 76 HA ILE 76 -12.427 4.897 0.136 665 HB ILE 76 HB ILE 76 -9.975 3.915 -1.414 666 HG12 ILE 76 2HG1 ILE 76 -12.608 2.455 -0.912 667 HG13 ILE 76 3HG1 ILE 76 -12.162 3.209 -2.437 668 HG21 ILE 76 1HG2 ILE 76 -9.817 2.135 0.310 669 HG22 ILE 76 2HG2 ILE 76 -11.175 2.851 1.180 670 HG23 ILE 76 3HG2 ILE 76 -9.656 3.736 1.037 671 HD11 ILE 76 3HD1 ILE 76 -11.815 0.835 -2.544 672 HD12 ILE 76 1HD1 ILE 76 -10.763 0.879 -1.127 673 HD13 ILE 76 2HD1 ILE 76 -10.265 1.663 -2.632 674 H ASP 77 H ASP 77 -11.294 5.510 1.982 675 HA ASP 77 HA ASP 77 -9.571 7.812 1.953 676 HB2 ASP 77 2HB ASP 77 -11.213 7.366 3.764 677 HB3 ASP 77 3HB ASP 77 -10.342 5.901 4.202 678 H VAL 78 H VAL 78 -7.568 7.503 1.086 679 HA VAL 78 HA VAL 78 -5.927 5.148 1.876 680 HB VAL 78 HB VAL 78 -6.041 6.465 -0.884 681 HG11 VAL 78 1HG1 VAL 78 -4.511 4.679 -1.625 682 HG12 VAL 78 2HG1 VAL 78 -4.408 4.075 0.031 683 HG13 VAL 78 3HG1 VAL 78 -3.773 5.674 -0.364 684 HG21 VAL 78 3HG2 VAL 78 -7.027 3.727 -0.010 685 HG22 VAL 78 1HG2 VAL 78 -6.968 4.302 -1.680 686 HG23 VAL 78 2HG2 VAL 78 -8.028 5.088 -0.508 687 H ARG 79 H ARG 79 -3.867 5.564 2.511 688 HA ARG 79 HA ARG 79 -2.655 8.233 2.113 689 HB2 ARG 79 2HB ARG 79 -2.397 6.172 4.292 690 HB3 ARG 79 3HB ARG 79 -0.899 6.944 3.808 691 HG2 ARG 79 2HG ARG 79 -1.673 8.155 5.677 692 HG3 ARG 79 3HG ARG 79 -2.007 9.181 4.288 693 HD2 ARG 79 2HD ARG 79 -4.088 7.400 5.585 694 HD3 ARG 79 3HD ARG 79 -3.809 9.074 6.066 695 HE ARG 79 HE ARG 79 -4.287 8.919 3.273 696 HH11 ARG 79 1HH1 ARG 79 -5.966 8.817 6.364 697 HH12 ARG 79 2HH1 ARG 79 -7.479 9.337 5.691 698 HH21 ARG 79 1HH2 ARG 79 -6.323 9.492 2.391 699 HH22 ARG 79 2HH2 ARG 79 -7.677 9.717 3.459 700 H THR 80 H THR 80 -1.509 8.217 0.249 701 HA THR 80 HA THR 80 -0.241 5.714 -0.690 702 HB THR 80 HB THR 80 -0.810 8.220 -2.353 703 HG1 THR 80 HG1 THR 80 -2.391 5.885 -1.945 704 HG21 THR 80 3HG2 THR 80 -0.256 5.346 -3.179 705 HG22 THR 80 1HG2 THR 80 0.906 6.670 -3.285 706 HG23 THR 80 2HG2 THR 80 -0.557 6.697 -4.272 707 H ARG 81 H ARG 81 1.868 5.618 -0.264 708 HA ARG 81 HA ARG 81 3.474 8.052 0.257 709 HB2 ARG 81 2HB ARG 81 4.187 5.170 0.959 710 HB3 ARG 81 3HB ARG 81 4.919 6.639 1.589 711 HG2 ARG 81 2HG ARG 81 2.119 5.655 2.170 712 HG3 ARG 81 3HG ARG 81 3.511 5.521 3.243 713 HD2 ARG 81 2HD ARG 81 3.633 8.060 3.223 714 HD3 ARG 81 3HD ARG 81 2.075 8.042 2.374 715 HE ARG 81 HE ARG 81 1.997 6.450 4.728 716 HH11 ARG 81 1HH1 ARG 81 1.884 9.825 3.706 717 HH12 ARG 81 2HH1 ARG 81 0.989 10.320 5.116 718 HH21 ARG 81 1HH2 ARG 81 0.868 7.121 6.541 719 HH22 ARG 81 2HH2 ARG 81 0.422 8.791 6.703 720 H LYS 82 H LYS 82 5.113 8.523 -1.165 721 HA LYS 82 HA LYS 82 6.023 6.547 -3.125 722 HB2 LYS 82 2HB LYS 82 5.708 8.919 -3.820 723 HB3 LYS 82 3HB LYS 82 6.927 9.426 -2.652 724 HG2 LYS 82 2HG LYS 82 8.629 8.066 -3.884 725 HG3 LYS 82 3HG LYS 82 7.392 7.643 -5.073 726 HD2 LYS 82 2HD LYS 82 8.799 9.478 -5.912 727 HD3 LYS 82 3HD LYS 82 7.142 10.033 -5.672 728 HE2 LYS 82 2HE LYS 82 7.789 11.106 -3.554 729 HE3 LYS 82 3HE LYS 82 9.435 10.493 -3.731 730 HZ1 LYS 82 3HZ LYS 82 8.109 12.384 -5.598 731 HZ2 LYS 82 1HZ LYS 82 9.697 11.818 -5.713 732 HZ3 LYS 82 2HZ LYS 82 9.245 12.804 -4.419 733 H VAL 83 H VAL 83 7.669 5.220 -2.662 734 HA VAL 83 HA VAL 83 9.741 5.974 -0.697 735 HB VAL 83 HB VAL 83 9.774 3.675 0.234 736 HG11 VAL 83 1HG1 VAL 83 8.463 5.364 1.425 737 HG12 VAL 83 2HG1 VAL 83 7.700 3.783 1.582 738 HG13 VAL 83 3HG1 VAL 83 7.033 4.976 0.466 739 HG21 VAL 83 3HG2 VAL 83 8.869 2.402 -1.667 740 HG22 VAL 83 1HG2 VAL 83 7.280 3.135 -1.432 741 HG23 VAL 83 2HG2 VAL 83 7.949 2.055 -0.203 742 H THR 84 H THR 84 11.774 5.534 -1.355 743 HA THR 84 HA THR 84 12.209 3.963 -3.841 744 HB THR 84 HB THR 84 14.228 5.407 -4.218 745 HG1 THR 84 HG1 THR 84 13.905 6.113 -1.721 746 HG21 THR 84 3HG2 THR 84 13.056 7.466 -4.930 747 HG22 THR 84 1HG2 THR 84 11.654 7.029 -3.956 748 HG23 THR 84 2HG2 THR 84 12.105 6.038 -5.347 749 H SER 85 H SER 85 12.700 4.021 -0.521 750 HA SER 85 HA SER 85 14.923 2.081 -0.655 751 HB2 SER 85 2HB SER 85 14.584 4.329 1.385 752 HB3 SER 85 3HB SER 85 15.839 3.090 1.434 753 HG SER 85 HG SER 85 16.185 3.976 -0.877 754 HA PRO 86 HA PRO 86 12.229 -0.785 1.529 755 HB2 PRO 86 2HB PRO 86 14.728 -1.309 3.158 756 HB3 PRO 86 3HB PRO 86 13.595 -2.463 2.412 757 HG2 PRO 86 2HG PRO 86 15.919 -1.959 1.234 758 HG3 PRO 86 3HG PRO 86 14.436 -2.147 0.270 759 HD2 PRO 86 2HD PRO 86 15.942 0.357 0.937 760 HD3 PRO 86 3HD PRO 86 15.008 -0.049 -0.520 761 H ASP 87 H ASP 87 14.426 1.109 3.614 762 HA ASP 87 HA ASP 87 12.946 0.658 6.013 763 HB2 ASP 87 2HB ASP 87 15.128 2.673 5.370 764 HB3 ASP 87 3HB ASP 87 14.411 2.522 6.974 765 H GLU 88 H GLU 88 12.672 3.098 3.534 766 HA GLU 88 HA GLU 88 11.057 4.964 4.960 767 HB2 GLU 88 2HB GLU 88 11.125 4.384 1.962 768 HB3 GLU 88 3HB GLU 88 10.388 5.794 2.714 769 HG2 GLU 88 2HG GLU 88 12.654 6.457 3.576 770 HG3 GLU 88 3HG GLU 88 13.345 5.110 2.669 771 H ALA 89 H ALA 89 10.325 2.134 2.936 772 HA ALA 89 HA ALA 89 7.485 2.320 3.004 773 HB1 ALA 89 3HB ALA 89 9.236 -0.118 2.511 774 HB2 ALA 89 1HB ALA 89 8.685 1.023 1.285 775 HB3 ALA 89 2HB ALA 89 7.514 0.012 2.136 776 H LYS 90 H LYS 90 9.872 0.583 4.980 777 HA LYS 90 HA LYS 90 8.143 -0.928 6.612 778 HB2 LYS 90 2HB LYS 90 10.963 0.137 7.072 779 HB3 LYS 90 3HB LYS 90 10.184 -1.071 8.090 780 HG2 LYS 90 2HG LYS 90 10.254 -2.731 6.394 781 HG3 LYS 90 3HG LYS 90 10.546 -1.539 5.123 782 HD2 LYS 90 2HD LYS 90 12.597 -2.802 5.584 783 HD3 LYS 90 3HD LYS 90 12.808 -1.115 6.024 784 HE2 LYS 90 2HE LYS 90 12.478 -1.704 8.405 785 HE3 LYS 90 3HE LYS 90 12.271 -3.399 7.947 786 HZ1 LYS 90 3HZ LYS 90 14.726 -1.795 7.439 787 HZ2 LYS 90 1HZ LYS 90 14.514 -3.439 7.101 788 HZ3 LYS 90 2HZ LYS 90 14.532 -2.900 8.705 789 H ARG 91 H ARG 91 9.641 2.273 6.979 790 HA ARG 91 HA ARG 91 8.876 2.938 9.571 791 HB2 ARG 91 2HB ARG 91 10.504 4.269 8.277 792 HB3 ARG 91 3HB ARG 91 9.240 4.770 7.159 793 HG2 ARG 91 2HG ARG 91 8.092 5.939 9.067 794 HG3 ARG 91 3HG ARG 91 9.465 5.525 10.095 795 HD2 ARG 91 2HD ARG 91 9.574 7.243 7.595 796 HD3 ARG 91 3HD ARG 91 9.621 7.833 9.257 797 HE ARG 91 HE ARG 91 11.715 5.978 8.327 798 HH11 ARG 91 1HH1 ARG 91 10.877 9.260 9.348 799 HH12 ARG 91 2HH1 ARG 91 12.537 9.739 9.554 800 HH21 ARG 91 1HH2 ARG 91 13.854 6.626 8.598 801 HH22 ARG 91 2HH2 ARG 91 14.224 8.244 9.128 802 H TRP 92 H TRP 92 7.214 3.776 6.475 803 HA TRP 92 HA TRP 92 5.037 5.057 7.627 804 HB2 TRP 92 2HB TRP 92 5.296 3.656 4.947 805 HB3 TRP 92 3HB TRP 92 3.885 4.611 5.399 806 HD1 TRP 92 HD1 TRP 92 6.823 5.030 3.407 807 HE1 TRP 92 HE1 TRP 92 7.523 7.483 3.191 808 HE3 TRP 92 HE3 TRP 92 4.112 7.012 7.271 809 HZ2 TRP 92 HZ2 TRP 92 7.021 9.934 4.466 810 HZ3 TRP 92 HZ3 TRP 92 4.282 9.430 7.705 811 HH2 TRP 92 HH2 TRP 92 5.707 10.862 6.329 812 H ILE 93 H ILE 93 5.543 1.594 7.267 813 HA ILE 93 HA ILE 93 2.792 0.826 7.665 814 HB ILE 93 HB ILE 93 5.401 -0.744 7.912 815 HG12 ILE 93 2HG1 ILE 93 3.242 -0.772 5.745 816 HG13 ILE 93 3HG1 ILE 93 4.790 0.049 5.616 817 HG21 ILE 93 1HG2 ILE 93 3.717 -1.802 9.375 818 HG22 ILE 93 2HG2 ILE 93 4.061 -2.817 7.976 819 HG23 ILE 93 3HG2 ILE 93 2.575 -1.867 8.030 820 HD11 ILE 93 3HD1 ILE 93 4.823 -2.010 4.387 821 HD12 ILE 93 1HD1 ILE 93 4.372 -2.924 5.827 822 HD13 ILE 93 2HD1 ILE 93 5.938 -2.108 5.750 823 H LYS 94 H LYS 94 5.690 0.992 9.770 824 HA LYS 94 HA LYS 94 4.612 0.483 12.273 825 HB2 LYS 94 2HB LYS 94 6.994 0.771 11.980 826 HB3 LYS 94 3HB LYS 94 6.786 2.405 11.365 827 HG2 LYS 94 2HG LYS 94 5.938 3.047 13.685 828 HG3 LYS 94 3HG LYS 94 6.475 1.453 14.226 829 HD2 LYS 94 2HD LYS 94 8.782 1.965 13.618 830 HD3 LYS 94 3HD LYS 94 8.290 3.490 12.877 831 HE2 LYS 94 2HE LYS 94 8.111 2.810 15.830 832 HE3 LYS 94 3HE LYS 94 9.300 3.870 15.076 833 HZ1 LYS 94 3HZ LYS 94 7.493 5.350 14.413 834 HZ2 LYS 94 1HZ LYS 94 7.527 5.140 16.093 835 HZ3 LYS 94 2HZ LYS 94 6.368 4.340 15.165 836 H GLU 95 H GLU 95 4.679 3.594 10.502 837 HA GLU 95 HA GLU 95 3.423 5.147 12.522 838 HB2 GLU 95 2HB GLU 95 3.499 5.734 9.530 839 HB3 GLU 95 3HB GLU 95 3.227 6.896 10.819 840 HG2 GLU 95 2HG GLU 95 5.803 5.421 10.237 841 HG3 GLU 95 3HG GLU 95 5.479 7.116 9.923 842 H PHE 96 H PHE 96 2.218 3.353 9.726 843 HA PHE 96 HA PHE 96 -0.414 4.382 9.570 844 HB2 PHE 96 2HB PHE 96 0.746 3.270 7.708 845 HB3 PHE 96 3HB PHE 96 0.750 1.746 8.580 846 HD1 PHE 96 HD1 PHE 96 -1.727 4.338 7.402 847 HD2 PHE 96 HD2 PHE 96 -0.848 0.182 7.918 848 HE1 PHE 96 HE1 PHE 96 -3.836 3.741 6.287 849 HE2 PHE 96 HE2 PHE 96 -2.957 -0.404 6.811 850 HZ PHE 96 HZ PHE 96 -4.452 1.370 5.995 851 H SER 97 H SER 97 0.959 1.694 11.351 852 HA SER 97 HA SER 97 -1.340 0.417 12.312 853 HB2 SER 97 2HB SER 97 1.272 0.915 13.800 854 HB3 SER 97 3HB SER 97 0.075 -0.319 14.204 855 HG SER 97 HG SER 97 1.296 -0.204 11.652 856 H GLU 98 H GLU 98 0.316 3.341 13.414 857 HA GLU 98 HA GLU 98 -1.468 3.826 15.659 858 HB2 GLU 98 2HB GLU 98 0.756 5.588 14.541 859 HB3 GLU 98 3HB GLU 98 -0.024 5.752 16.111 860 HG2 GLU 98 2HG GLU 98 1.727 3.450 15.214 861 HG3 GLU 98 3HG GLU 98 2.181 4.721 16.343 862 H GLU 99 H GLU 99 -1.110 4.897 12.334 863 HA GLU 99 HA GLU 99 -2.808 7.200 12.490 864 HB2 GLU 99 2HB GLU 99 -1.991 5.498 10.104 865 HB3 GLU 99 3HB GLU 99 -2.906 7.000 9.980 866 HG2 GLU 99 2HG GLU 99 -1.022 8.239 10.999 867 HG3 GLU 99 3HG GLU 99 -0.106 6.737 11.117 868 H GLY 100 H GLY 100 -3.392 3.792 12.360 869 HA2 GLY 100 2HA GLY 100 -6.127 3.849 11.536 870 HA3 GLY 100 3HA GLY 100 -5.323 2.570 12.424 871 H GLY 101 H GLY 101 -6.708 5.813 12.828 872 HA2 GLY 101 2HA GLY 101 -8.234 6.537 14.407 873 HA3 GLY 101 3HA GLY 101 -8.053 5.031 15.283 874 H SER 102 H SER 102 -5.280 5.058 15.722 875 HA SER 102 HA SER 102 -5.447 6.316 18.249 876 HB2 SER 102 2HB SER 102 -3.055 4.992 16.918 877 HB3 SER 102 3HB SER 102 -3.305 5.214 18.650 878 HG SER 102 HG SER 102 -5.435 3.958 17.837 879 H LEU 103 H LEU 103 -4.326 7.609 15.269 880 HA LEU 103 HA LEU 103 -2.189 9.230 16.191 881 HB2 LEU 103 2HB LEU 103 -2.117 10.247 14.079 882 HB3 LEU 103 3HB LEU 103 -2.628 8.602 13.770 883 HG LEU 103 HG LEU 103 -4.483 11.019 13.776 884 HD11 LEU 103 1HD1 LEU 103 -2.897 11.166 11.933 885 HD12 LEU 103 2HD1 LEU 103 -4.514 10.812 11.333 886 HD13 LEU 103 3HD1 LEU 103 -3.305 9.526 11.414 887 HD21 LEU 103 3HD2 LEU 103 -6.136 9.545 12.715 888 HD22 LEU 103 1HD2 LEU 103 -5.699 8.964 14.321 889 HD23 LEU 103 2HD2 LEU 103 -5.042 8.172 12.886 890 H GLU 104 H GLU 104 -5.686 9.826 15.958 891 HA GLU 104 HA GLU 104 -5.314 12.416 17.360 892 HB2 GLU 104 2HB GLU 104 -7.575 11.598 15.504 893 HB3 GLU 104 3HB GLU 104 -7.575 13.064 16.478 894 HG2 GLU 104 2HG GLU 104 -5.741 12.374 14.177 895 HG3 GLU 104 3HG GLU 104 -6.907 13.690 14.277 896 H HIS 105 H HIS 105 -6.664 9.253 17.667 897 HA HIS 105 HA HIS 105 -7.757 9.964 20.295 898 HB2 HIS 105 2HB HIS 105 -7.114 7.239 19.052 899 HB3 HIS 105 3HB HIS 105 -7.827 7.460 20.648 900 HD1 HIS 105 HD1 HIS 105 -10.305 8.323 20.730 901 HD2 HIS 105 HD2 HIS 105 -8.913 7.503 16.907 902 HE1 HIS 105 HE1 HIS 105 -12.341 8.245 19.267 903 HE2 HIS 105 HE2 HIS 105 -11.486 7.528 17.018 904 H HIS 106 H HIS 106 -5.818 11.262 20.636 905 HA HIS 106 HA HIS 106 -3.208 10.086 20.222 906 HB2 HIS 106 2HB HIS 106 -3.951 12.379 19.388 907 HB3 HIS 106 3HB HIS 106 -3.926 12.932 21.057 908 HD1 HIS 106 HD1 HIS 106 -1.644 11.806 18.273 909 HD2 HIS 106 HD2 HIS 106 -1.387 13.607 22.010 910 HE1 HIS 106 HE1 HIS 106 0.713 12.640 18.465 911 HE2 HIS 106 HE2 HIS 106 0.875 13.611 20.776 912 H HIS 107 H HIS 107 -2.426 8.891 21.821 913 HA HIS 107 HA HIS 107 -3.209 9.305 24.606 914 HB2 HIS 107 2HB HIS 107 -3.306 7.061 23.389 915 HB3 HIS 107 3HB HIS 107 -1.550 7.047 23.386 916 HD1 HIS 107 HD1 HIS 107 -1.849 4.757 24.698 917 HD2 HIS 107 HD2 HIS 107 -3.104 8.143 26.756 918 HE1 HIS 107 HE1 HIS 107 -2.095 4.045 27.095 919 HE2 HIS 107 HE2 HIS 107 -2.694 6.146 28.326 920 H HIS 108 H HIS 108 -1.583 11.328 23.617 921 HA HIS 108 HA HIS 108 0.677 11.238 25.471 922 HB2 HIS 108 2HB HIS 108 0.919 11.872 22.503 923 HB3 HIS 108 3HB HIS 108 2.028 12.592 23.659 924 HD1 HIS 108 HD1 HIS 108 3.878 11.129 24.591 925 HD2 HIS 108 HD2 HIS 108 1.273 9.063 22.105 926 HE1 HIS 108 HE1 HIS 108 4.999 8.942 24.114 927 HE2 HIS 108 HE2 HIS 108 3.482 7.782 22.486 928 H HIS 109 H HIS 109 -0.618 12.554 26.794 929 HA HIS 109 HA HIS 109 -0.261 15.367 26.321 930 HB2 HIS 109 2HB HIS 109 -2.698 15.995 26.721 931 HB3 HIS 109 3HB HIS 109 -2.345 15.304 25.147 932 HD1 HIS 109 HD1 HIS 109 -3.716 13.355 24.430 933 HD2 HIS 109 HD2 HIS 109 -4.126 14.145 28.490 934 HE1 HIS 109 HE1 HIS 109 -5.598 11.900 25.211 935 HE2 HIS 109 HE2 HIS 109 -5.761 12.308 27.681 936 H HIS 110 H HIS 110 0.656 13.385 28.137 937 HA HIS 110 HA HIS 110 0.162 14.859 30.633 938 HB2 HIS 110 2HB HIS 110 0.200 11.807 30.422 939 HB3 HIS 110 3HB HIS 110 0.303 12.691 31.942 940 HD1 HIS 110 HD1 HIS 110 -1.891 14.592 31.982 941 HD2 HIS 110 HD2 HIS 110 -2.349 10.892 30.139 942 HE1 HIS 110 HE1 HIS 110 -4.364 14.170 31.914 943 HE2 HIS 110 HE2 HIS 110 -4.611 11.896 30.877 Start of MODEL 4 1 H1 MET 1 1H MET 1 -11.075 -3.017 13.070 2 H2 MET 1 2H MET 1 -11.182 -1.585 13.960 3 H3 MET 1 3H MET 1 -9.672 -2.169 13.483 4 HA MET 1 HA MET 1 -11.812 -1.291 11.663 5 HB2 MET 1 2HB MET 1 -10.926 0.623 12.925 6 HB3 MET 1 3HB MET 1 -9.278 0.175 12.507 7 HG2 MET 1 2HG MET 1 -9.597 0.782 10.220 8 HG3 MET 1 3HG MET 1 -11.345 0.886 10.420 9 HE1 MET 1 3HE MET 1 -9.734 3.112 8.956 10 HE2 MET 1 1HE MET 1 -10.278 4.610 9.708 11 HE3 MET 1 2HE MET 1 -11.452 3.364 9.281 12 H LEU 2 H LEU 2 -11.439 -1.612 9.534 13 HA LEU 2 HA LEU 2 -9.547 -3.590 8.742 14 HB2 LEU 2 2HB LEU 2 -11.280 -1.777 7.008 15 HB3 LEU 2 3HB LEU 2 -10.473 -3.245 6.482 16 HG LEU 2 HG LEU 2 -12.775 -3.065 8.454 17 HD11 LEU 2 1HD1 LEU 2 -14.043 -4.313 6.765 18 HD12 LEU 2 2HD1 LEU 2 -12.661 -4.253 5.668 19 HD13 LEU 2 3HD1 LEU 2 -13.478 -2.762 6.146 20 HD21 LEU 2 3HD2 LEU 2 -11.281 -4.827 9.197 21 HD22 LEU 2 1HD2 LEU 2 -11.255 -5.540 7.578 22 HD23 LEU 2 2HD2 LEU 2 -12.747 -5.527 8.521 23 H LEU 3 H LEU 3 -7.441 -3.058 8.804 24 HA LEU 3 HA LEU 3 -6.452 -0.633 7.400 25 HB2 LEU 3 2HB LEU 3 -5.213 -2.136 9.761 26 HB3 LEU 3 3HB LEU 3 -4.509 -0.738 8.964 27 HG LEU 3 HG LEU 3 -7.102 -0.733 10.561 28 HD11 LEU 3 1HD1 LEU 3 -5.147 -0.974 12.014 29 HD12 LEU 3 2HD1 LEU 3 -5.878 0.617 12.211 30 HD13 LEU 3 3HD1 LEU 3 -4.392 0.440 11.272 31 HD21 LEU 3 3HD2 LEU 3 -5.664 1.577 9.214 32 HD22 LEU 3 1HD2 LEU 3 -7.049 1.724 10.300 33 HD23 LEU 3 2HD2 LEU 3 -7.228 0.898 8.754 34 H TYR 4 H TYR 4 -5.542 -1.196 5.500 35 HA TYR 4 HA TYR 4 -4.165 -3.814 5.215 36 HB2 TYR 4 2HB TYR 4 -5.793 -2.367 3.071 37 HB3 TYR 4 3HB TYR 4 -4.969 -3.917 2.887 38 HD1 TYR 4 HD1 TYR 4 -5.778 -5.899 4.354 39 HD2 TYR 4 HD2 TYR 4 -8.043 -2.305 3.856 40 HE1 TYR 4 HE1 TYR 4 -7.811 -7.068 5.094 41 HE2 TYR 4 HE2 TYR 4 -10.065 -3.482 4.591 42 HH TYR 4 HH TYR 4 -10.945 -5.687 4.781 43 H VAL 5 H VAL 5 -2.518 -3.874 3.634 44 HA VAL 5 HA VAL 5 -1.280 -1.307 2.827 45 HB VAL 5 HB VAL 5 0.183 -3.791 3.920 46 HG11 VAL 5 1HG1 VAL 5 2.254 -2.459 3.704 47 HG12 VAL 5 2HG1 VAL 5 1.345 -1.155 2.938 48 HG13 VAL 5 3HG1 VAL 5 1.490 -2.719 2.134 49 HG21 VAL 5 3HG2 VAL 5 -0.087 -1.011 5.145 50 HG22 VAL 5 1HG2 VAL 5 0.878 -2.337 5.801 51 HG23 VAL 5 2HG2 VAL 5 -0.878 -2.477 5.723 52 H LEU 6 H LEU 6 -1.019 -1.243 0.661 53 HA LEU 6 HA LEU 6 -0.716 -3.732 -0.931 54 HB2 LEU 6 2HB LEU 6 -1.762 -1.014 -1.874 55 HB3 LEU 6 3HB LEU 6 -1.669 -2.485 -2.828 56 HG LEU 6 HG LEU 6 -3.535 -1.961 -0.493 57 HD11 LEU 6 1HD1 LEU 6 -5.338 -2.138 -2.153 58 HD12 LEU 6 2HD1 LEU 6 -4.150 -2.358 -3.439 59 HD13 LEU 6 3HD1 LEU 6 -4.226 -0.832 -2.557 60 HD21 LEU 6 3HD2 LEU 6 -4.528 -4.171 -0.949 61 HD22 LEU 6 1HD2 LEU 6 -2.857 -4.290 -0.402 62 HD23 LEU 6 2HD2 LEU 6 -3.243 -4.503 -2.111 63 H ILE 7 H ILE 7 1.349 -3.916 -1.796 64 HA ILE 7 HA ILE 7 2.994 -1.442 -1.922 65 HB ILE 7 HB ILE 7 3.898 -2.972 -0.271 66 HG12 ILE 7 2HG1 ILE 7 5.643 -3.010 -2.778 67 HG13 ILE 7 3HG1 ILE 7 5.479 -1.636 -1.689 68 HG21 ILE 7 1HG2 ILE 7 4.717 -5.240 -0.770 69 HG22 ILE 7 2HG2 ILE 7 4.106 -5.105 -2.417 70 HG23 ILE 7 3HG2 ILE 7 2.977 -5.116 -1.063 71 HD11 ILE 7 3HD1 ILE 7 7.535 -2.879 -1.334 72 HD12 ILE 7 1HD1 ILE 7 6.604 -4.323 -0.951 73 HD13 ILE 7 2HD1 ILE 7 6.503 -2.904 0.092 74 H ILE 8 H ILE 8 3.097 -0.696 -3.964 75 HA ILE 8 HA ILE 8 3.233 -2.505 -6.276 76 HB ILE 8 HB ILE 8 3.373 0.551 -6.296 77 HG12 ILE 8 2HG1 ILE 8 0.886 -1.199 -6.514 78 HG13 ILE 8 3HG1 ILE 8 1.276 -0.137 -5.171 79 HG21 ILE 8 1HG2 ILE 8 4.154 -0.569 -8.371 80 HG22 ILE 8 2HG2 ILE 8 2.666 0.335 -8.659 81 HG23 ILE 8 3HG2 ILE 8 2.610 -1.421 -8.493 82 HD11 ILE 8 3HD1 ILE 8 1.130 1.776 -6.710 83 HD12 ILE 8 1HD1 ILE 8 -0.368 0.871 -6.520 84 HD13 ILE 8 2HD1 ILE 8 0.600 0.662 -7.977 85 H SER 9 H SER 9 5.256 -3.417 -6.263 86 HA SER 9 HA SER 9 7.543 -1.726 -6.854 87 HB2 SER 9 2HB SER 9 7.519 -1.825 -4.344 88 HB3 SER 9 3HB SER 9 7.566 -3.584 -4.422 89 HG SER 9 HG SER 9 9.571 -1.705 -4.931 90 H ASN 10 H ASN 10 8.970 -2.744 -8.124 91 HA ASN 10 HA ASN 10 8.711 -5.615 -8.733 92 HB2 ASN 10 2HB ASN 10 10.504 -3.467 -9.972 93 HB3 ASN 10 3HB ASN 10 10.371 -5.132 -10.534 94 HD21 ASN 10 1HD2 ASN 10 8.774 -2.030 -10.398 95 HD22 ASN 10 2HD2 ASN 10 7.544 -2.405 -11.550 96 H ASP 11 H ASP 11 10.423 -3.503 -6.717 97 HA ASP 11 HA ASP 11 12.975 -4.841 -6.561 98 HB2 ASP 11 2HB ASP 11 11.752 -2.819 -4.621 99 HB3 ASP 11 3HB ASP 11 13.455 -3.217 -4.809 100 H LYS 12 H LYS 12 12.787 -6.906 -5.868 101 HA LYS 12 HA LYS 12 10.659 -7.889 -4.297 102 HB2 LYS 12 2HB LYS 12 13.272 -9.287 -5.017 103 HB3 LYS 12 3HB LYS 12 11.823 -10.080 -4.419 104 HG2 LYS 12 2HG LYS 12 12.103 -8.624 -7.062 105 HG3 LYS 12 3HG LYS 12 12.014 -10.372 -6.835 106 HD2 LYS 12 2HD LYS 12 9.696 -10.165 -6.006 107 HD3 LYS 12 3HD LYS 12 9.789 -8.405 -6.141 108 HE2 LYS 12 2HE LYS 12 8.558 -9.344 -8.032 109 HE3 LYS 12 3HE LYS 12 10.061 -8.613 -8.593 110 HZ1 LYS 12 3HZ LYS 12 9.631 -11.518 -8.135 111 HZ2 LYS 12 1HZ LYS 12 11.042 -10.802 -8.733 112 HZ3 LYS 12 2HZ LYS 12 9.617 -10.747 -9.644 113 H LYS 13 H LYS 13 13.952 -6.925 -3.420 114 HA LYS 13 HA LYS 13 13.934 -8.009 -0.767 115 HB2 LYS 13 2HB LYS 13 15.578 -5.681 -1.863 116 HB3 LYS 13 3HB LYS 13 15.860 -6.478 -0.322 117 HG2 LYS 13 2HG LYS 13 16.195 -7.677 -3.080 118 HG3 LYS 13 3HG LYS 13 17.474 -7.257 -1.947 119 HD2 LYS 13 2HD LYS 13 15.410 -9.465 -1.604 120 HD3 LYS 13 3HD LYS 13 17.116 -9.683 -1.983 121 HE2 LYS 13 2HE LYS 13 17.746 -8.802 0.217 122 HE3 LYS 13 3HE LYS 13 16.054 -8.482 0.601 123 HZ1 LYS 13 3HZ LYS 13 17.262 -11.156 0.131 124 HZ2 LYS 13 1HZ LYS 13 15.620 -10.867 0.433 125 HZ3 LYS 13 2HZ LYS 13 16.773 -10.526 1.623 126 H LEU 14 H LEU 14 13.048 -4.864 -2.150 127 HA LEU 14 HA LEU 14 12.433 -3.480 0.231 128 HB2 LEU 14 2HB LEU 14 12.786 -2.551 -2.111 129 HB3 LEU 14 3HB LEU 14 11.172 -3.083 -2.521 130 HG LEU 14 HG LEU 14 11.608 -1.100 -0.246 131 HD11 LEU 14 1HD1 LEU 14 11.324 0.765 -1.817 132 HD12 LEU 14 2HD1 LEU 14 11.323 -0.358 -3.181 133 HD13 LEU 14 3HD1 LEU 14 12.775 -0.162 -2.195 134 HD21 LEU 14 3HD2 LEU 14 9.330 -0.336 -0.828 135 HD22 LEU 14 1HD2 LEU 14 9.353 -2.052 -0.423 136 HD23 LEU 14 2HD2 LEU 14 9.242 -1.550 -2.111 137 H ILE 15 H ILE 15 10.507 -5.592 -1.867 138 HA ILE 15 HA ILE 15 7.995 -5.389 -0.607 139 HB ILE 15 HB ILE 15 9.197 -7.678 -2.225 140 HG12 ILE 15 2HG1 ILE 15 7.231 -5.478 -3.042 141 HG13 ILE 15 3HG1 ILE 15 8.942 -5.505 -3.452 142 HG21 ILE 15 1HG2 ILE 15 6.294 -7.284 -1.407 143 HG22 ILE 15 2HG2 ILE 15 7.367 -8.561 -0.836 144 HG23 ILE 15 3HG2 ILE 15 6.877 -8.516 -2.530 145 HD11 ILE 15 3HD1 ILE 15 7.600 -6.186 -5.324 146 HD12 ILE 15 1HD1 ILE 15 6.857 -7.471 -4.372 147 HD13 ILE 15 2HD1 ILE 15 8.577 -7.541 -4.764 148 H GLU 16 H GLU 16 10.749 -7.533 -0.039 149 HA GLU 16 HA GLU 16 9.648 -9.210 1.943 150 HB2 GLU 16 2HB GLU 16 12.532 -8.387 1.420 151 HB3 GLU 16 3HB GLU 16 12.084 -9.601 2.618 152 HG2 GLU 16 2HG GLU 16 11.116 -11.014 0.894 153 HG3 GLU 16 3HG GLU 16 11.395 -9.774 -0.323 154 H GLU 17 H GLU 17 11.581 -6.218 2.314 155 HA GLU 17 HA GLU 17 11.614 -6.261 5.155 156 HB2 GLU 17 2HB GLU 17 12.052 -3.867 3.323 157 HB3 GLU 17 3HB GLU 17 12.556 -3.995 5.004 158 HG2 GLU 17 2HG GLU 17 13.639 -5.518 2.631 159 HG3 GLU 17 3HG GLU 17 14.488 -4.341 3.623 160 H ALA 18 H ALA 18 9.443 -4.762 2.822 161 HA ALA 18 HA ALA 18 7.904 -3.214 4.645 162 HB1 ALA 18 3HB ALA 18 7.873 -2.805 2.231 163 HB2 ALA 18 1HB ALA 18 6.242 -3.106 2.835 164 HB3 ALA 18 2HB ALA 18 7.108 -4.370 1.954 165 H ARG 19 H ARG 19 7.437 -6.490 3.268 166 HA ARG 19 HA ARG 19 4.958 -7.066 4.476 167 HB2 ARG 19 2HB ARG 19 5.853 -8.361 2.554 168 HB3 ARG 19 3HB ARG 19 7.102 -9.047 3.591 169 HG2 ARG 19 2HG ARG 19 5.291 -10.099 4.993 170 HG3 ARG 19 3HG ARG 19 4.101 -9.492 3.835 171 HD2 ARG 19 2HD ARG 19 4.658 -11.866 3.425 172 HD3 ARG 19 3HD ARG 19 5.105 -10.851 2.054 173 HE ARG 19 HE ARG 19 7.341 -11.254 2.470 174 HH11 ARG 19 1HH1 ARG 19 5.464 -12.702 5.087 175 HH12 ARG 19 2HH1 ARG 19 6.817 -13.605 5.684 176 HH21 ARG 19 1HH2 ARG 19 9.075 -12.433 3.312 177 HH22 ARG 19 2HH2 ARG 19 8.837 -13.459 4.691 178 H LYS 20 H LYS 20 8.271 -7.724 5.542 179 HA LYS 20 HA LYS 20 7.815 -9.257 7.830 180 HB2 LYS 20 2HB LYS 20 10.014 -7.274 7.120 181 HB3 LYS 20 3HB LYS 20 10.061 -8.213 8.608 182 HG2 LYS 20 2HG LYS 20 10.358 -10.263 7.467 183 HG3 LYS 20 3HG LYS 20 9.765 -9.606 5.938 184 HD2 LYS 20 2HD LYS 20 12.210 -9.973 5.874 185 HD3 LYS 20 3HD LYS 20 11.807 -8.270 5.679 186 HE2 LYS 20 2HE LYS 20 12.428 -7.844 8.025 187 HE3 LYS 20 3HE LYS 20 12.784 -9.560 8.253 188 HZ1 LYS 20 3HZ LYS 20 14.564 -9.411 6.678 189 HZ2 LYS 20 1HZ LYS 20 14.772 -8.191 7.828 190 HZ3 LYS 20 2HZ LYS 20 14.179 -7.814 6.288 191 H MET 21 H MET 21 7.891 -5.709 7.460 192 HA MET 21 HA MET 21 7.377 -5.166 10.244 193 HB2 MET 21 2HB MET 21 7.552 -3.452 7.759 194 HB3 MET 21 3HB MET 21 6.877 -2.765 9.235 195 HG2 MET 21 2HG MET 21 9.639 -3.943 8.901 196 HG3 MET 21 3HG MET 21 9.229 -2.241 9.084 197 HE1 MET 21 3HE MET 21 7.852 -2.283 12.837 198 HE2 MET 21 1HE MET 21 6.865 -2.676 11.429 199 HE3 MET 21 2HE MET 21 7.991 -1.318 11.367 200 H ALA 22 H ALA 22 5.338 -5.426 7.362 201 HA ALA 22 HA ALA 22 2.952 -4.437 8.447 202 HB1 ALA 22 3HB ALA 22 3.255 -4.874 6.044 203 HB2 ALA 22 1HB ALA 22 1.813 -5.685 6.661 204 HB3 ALA 22 2HB ALA 22 3.285 -6.611 6.353 205 H GLU 23 H GLU 23 4.339 -7.709 8.485 206 HA GLU 23 HA GLU 23 2.224 -9.004 9.892 207 HB2 GLU 23 2HB GLU 23 5.166 -9.767 9.634 208 HB3 GLU 23 3HB GLU 23 3.888 -10.842 10.194 209 HG2 GLU 23 2HG GLU 23 2.816 -10.813 8.022 210 HG3 GLU 23 3HG GLU 23 3.925 -9.576 7.434 211 H LYS 24 H LYS 24 5.041 -7.170 10.949 212 HA LYS 24 HA LYS 24 4.872 -7.855 13.751 213 HB2 LYS 24 2HB LYS 24 6.293 -5.604 12.271 214 HB3 LYS 24 3HB LYS 24 6.422 -5.836 14.014 215 HG2 LYS 24 2HG LYS 24 7.449 -8.028 13.690 216 HG3 LYS 24 3HG LYS 24 7.230 -7.898 11.942 217 HD2 LYS 24 2HD LYS 24 8.793 -6.020 11.832 218 HD3 LYS 24 3HD LYS 24 8.961 -6.006 13.593 219 HE2 LYS 24 2HE LYS 24 9.823 -8.233 11.719 220 HE3 LYS 24 3HE LYS 24 10.884 -7.105 12.559 221 HZ1 LYS 24 3HZ LYS 24 10.868 -9.155 13.733 222 HZ2 LYS 24 1HZ LYS 24 9.177 -9.200 13.785 223 HZ3 LYS 24 2HZ LYS 24 10.017 -8.036 14.674 224 H ALA 25 H ALA 25 3.568 -5.299 11.695 225 HA ALA 25 HA ALA 25 2.297 -3.847 13.904 226 HB1 ALA 25 3HB ALA 25 3.346 -2.593 12.061 227 HB2 ALA 25 1HB ALA 25 1.613 -2.274 12.118 228 HB3 ALA 25 2HB ALA 25 2.270 -3.363 10.891 229 H ASN 26 H ASN 26 1.595 -6.623 12.324 230 HA ASN 26 HA ASN 26 -0.160 -8.022 12.221 231 HB2 ASN 26 2HB ASN 26 -1.690 -5.870 13.747 232 HB3 ASN 26 3HB ASN 26 -2.293 -7.497 13.448 233 HD21 ASN 26 1HD2 ASN 26 -1.788 -6.110 15.981 234 HD22 ASN 26 2HD2 ASN 26 -0.682 -7.110 16.860 235 H LEU 27 H LEU 27 0.110 -5.391 10.432 236 HA LEU 27 HA LEU 27 -2.481 -5.093 9.209 237 HB2 LEU 27 2HB LEU 27 0.249 -4.183 8.197 238 HB3 LEU 27 3HB LEU 27 -1.316 -3.589 7.659 239 HG LEU 27 HG LEU 27 -0.165 -3.195 10.447 240 HD11 LEU 27 1HD1 LEU 27 1.084 -1.901 8.817 241 HD12 LEU 27 2HD1 LEU 27 0.108 -0.835 9.822 242 HD13 LEU 27 3HD1 LEU 27 -0.407 -1.208 8.173 243 HD21 LEU 27 3HD2 LEU 27 -2.598 -3.275 10.535 244 HD22 LEU 27 1HD2 LEU 27 -2.716 -2.079 9.242 245 HD23 LEU 27 2HD2 LEU 27 -2.038 -1.628 10.808 246 H GLU 28 H GLU 28 -3.181 -5.915 7.235 247 HA GLU 28 HA GLU 28 -1.849 -8.296 6.202 248 HB2 GLU 28 2HB GLU 28 -4.304 -8.289 6.446 249 HB3 GLU 28 3HB GLU 28 -4.441 -6.907 5.364 250 HG2 GLU 28 2HG GLU 28 -3.485 -8.319 3.515 251 HG3 GLU 28 3HG GLU 28 -3.482 -9.696 4.614 252 H LEU 29 H LEU 29 -0.526 -8.301 4.444 253 HA LEU 29 HA LEU 29 -0.349 -5.841 2.785 254 HB2 LEU 29 2HB LEU 29 1.638 -6.233 4.171 255 HB3 LEU 29 3HB LEU 29 1.844 -7.837 3.496 256 HG LEU 29 HG LEU 29 1.819 -5.634 1.453 257 HD11 LEU 29 1HD1 LEU 29 3.024 -4.471 3.234 258 HD12 LEU 29 2HD1 LEU 29 4.089 -4.853 1.884 259 HD13 LEU 29 3HD1 LEU 29 4.160 -5.815 3.364 260 HD21 LEU 29 3HD2 LEU 29 3.708 -6.884 0.500 261 HD22 LEU 29 1HD2 LEU 29 2.337 -7.948 0.816 262 HD23 LEU 29 2HD2 LEU 29 3.726 -7.954 1.905 263 H ARG 30 H ARG 30 -0.658 -6.059 0.671 264 HA ARG 30 HA ARG 30 -0.711 -8.727 -0.615 265 HB2 ARG 30 2HB ARG 30 -2.369 -6.273 -1.355 266 HB3 ARG 30 3HB ARG 30 -2.412 -7.818 -2.185 267 HG2 ARG 30 2HG ARG 30 -3.302 -7.353 0.677 268 HG3 ARG 30 3HG ARG 30 -4.377 -7.448 -0.717 269 HD2 ARG 30 2HD ARG 30 -3.610 -9.782 -1.117 270 HD3 ARG 30 3HD ARG 30 -2.597 -9.677 0.328 271 HE ARG 30 HE ARG 30 -5.059 -9.023 1.248 272 HH11 ARG 30 1HH1 ARG 30 -3.865 -11.830 -0.524 273 HH12 ARG 30 2HH1 ARG 30 -5.049 -12.898 0.162 274 HH21 ARG 30 1HH2 ARG 30 -6.593 -10.415 2.120 275 HH22 ARG 30 2HH2 ARG 30 -6.602 -12.095 1.665 276 H THR 31 H THR 31 0.655 -8.891 -2.330 277 HA THR 31 HA THR 31 2.441 -6.667 -2.922 278 HB THR 31 HB THR 31 3.765 -8.417 -4.153 279 HG1 THR 31 HG1 THR 31 2.825 -10.251 -4.640 280 HG21 THR 31 3HG2 THR 31 4.443 -9.716 -2.175 281 HG22 THR 31 1HG2 THR 31 2.954 -9.259 -1.341 282 HG23 THR 31 2HG2 THR 31 4.164 -8.032 -1.724 283 H VAL 32 H VAL 32 1.888 -5.289 -4.505 284 HA VAL 32 HA VAL 32 -0.034 -5.979 -6.581 285 HB VAL 32 HB VAL 32 1.409 -3.324 -6.134 286 HG11 VAL 32 1HG1 VAL 32 -0.474 -2.325 -7.351 287 HG12 VAL 32 2HG1 VAL 32 -1.198 -3.918 -7.574 288 HG13 VAL 32 3HG1 VAL 32 0.344 -3.535 -8.342 289 HG21 VAL 32 3HG2 VAL 32 -1.249 -4.200 -4.950 290 HG22 VAL 32 1HG2 VAL 32 -0.546 -2.585 -4.822 291 HG23 VAL 32 2HG2 VAL 32 0.255 -3.961 -4.061 292 H LYS 33 H LYS 33 0.462 -6.317 -8.686 293 HA LYS 33 HA LYS 33 3.279 -6.325 -9.580 294 HB2 LYS 33 2HB LYS 33 0.825 -7.511 -10.960 295 HB3 LYS 33 3HB LYS 33 2.509 -7.803 -11.381 296 HG2 LYS 33 2HG LYS 33 2.865 -9.042 -9.313 297 HG3 LYS 33 3HG LYS 33 1.231 -8.651 -8.762 298 HD2 LYS 33 2HD LYS 33 0.297 -9.908 -10.708 299 HD3 LYS 33 3HD LYS 33 1.938 -10.350 -11.190 300 HE2 LYS 33 2HE LYS 33 2.234 -11.571 -9.058 301 HE3 LYS 33 3HE LYS 33 0.598 -11.119 -8.571 302 HZ1 LYS 33 3HZ LYS 33 1.329 -12.818 -10.897 303 HZ2 LYS 33 1HZ LYS 33 -0.248 -12.337 -10.514 304 HZ3 LYS 33 2HZ LYS 33 0.614 -13.336 -9.458 305 H THR 34 H THR 34 0.041 -5.465 -10.785 306 HA THR 34 HA THR 34 1.114 -3.261 -12.453 307 HB THR 34 HB THR 34 -0.716 -3.793 -14.088 308 HG1 THR 34 HG1 THR 34 -1.600 -6.054 -13.715 309 HG21 THR 34 3HG2 THR 34 1.524 -4.771 -14.503 310 HG22 THR 34 1HG2 THR 34 0.238 -5.849 -15.058 311 HG23 THR 34 2HG2 THR 34 1.083 -6.186 -13.545 312 H GLU 35 H GLU 35 -0.773 -1.769 -13.108 313 HA GLU 35 HA GLU 35 -2.101 -0.693 -10.845 314 HB2 GLU 35 2HB GLU 35 -3.107 0.923 -12.299 315 HB3 GLU 35 3HB GLU 35 -1.498 0.634 -12.929 316 HG2 GLU 35 2HG GLU 35 -4.040 -0.565 -14.059 317 HG3 GLU 35 3HG GLU 35 -3.250 0.875 -14.685 318 H ASP 36 H ASP 36 -3.037 -3.093 -13.202 319 HA ASP 36 HA ASP 36 -5.817 -3.300 -12.735 320 HB2 ASP 36 2HB ASP 36 -4.715 -4.332 -14.674 321 HB3 ASP 36 3HB ASP 36 -3.767 -5.386 -13.627 322 H GLU 37 H GLU 37 -3.006 -4.846 -11.187 323 HA GLU 37 HA GLU 37 -4.448 -6.471 -9.362 324 HB2 GLU 37 2HB GLU 37 -1.643 -5.311 -9.082 325 HB3 GLU 37 3HB GLU 37 -2.310 -6.616 -8.108 326 HG2 GLU 37 2HG GLU 37 -1.781 -6.705 -11.082 327 HG3 GLU 37 3HG GLU 37 -0.795 -7.454 -9.831 328 H LEU 38 H LEU 38 -3.124 -3.187 -9.175 329 HA LEU 38 HA LEU 38 -3.673 -2.626 -6.466 330 HB2 LEU 38 2HB LEU 38 -2.162 -1.372 -8.152 331 HB3 LEU 38 3HB LEU 38 -3.610 -0.585 -8.740 332 HG LEU 38 HG LEU 38 -2.147 0.737 -7.095 333 HD11 LEU 38 1HD1 LEU 38 -4.002 1.777 -5.887 334 HD12 LEU 38 2HD1 LEU 38 -5.056 0.432 -6.331 335 HD13 LEU 38 3HD1 LEU 38 -4.404 1.492 -7.581 336 HD21 LEU 38 3HD2 LEU 38 -3.350 -1.134 -5.021 337 HD22 LEU 38 1HD2 LEU 38 -2.370 0.299 -4.695 338 HD23 LEU 38 2HD2 LEU 38 -1.653 -1.089 -5.509 339 H LYS 39 H LYS 39 -5.537 -2.138 -9.435 340 HA LYS 39 HA LYS 39 -7.856 -0.958 -8.440 341 HB2 LYS 39 2HB LYS 39 -7.392 -2.788 -10.818 342 HB3 LYS 39 3HB LYS 39 -9.005 -2.205 -10.430 343 HG2 LYS 39 2HG LYS 39 -8.270 0.113 -10.730 344 HG3 LYS 39 3HG LYS 39 -6.625 -0.440 -11.049 345 HD2 LYS 39 2HD LYS 39 -7.717 0.080 -13.171 346 HD3 LYS 39 3HD LYS 39 -7.433 -1.655 -13.077 347 HE2 LYS 39 2HE LYS 39 -10.112 -0.379 -12.420 348 HE3 LYS 39 3HE LYS 39 -9.684 -0.931 -14.034 349 HZ1 LYS 39 3HZ LYS 39 -9.379 -3.187 -13.082 350 HZ2 LYS 39 1HZ LYS 39 -10.961 -2.607 -12.953 351 HZ3 LYS 39 2HZ LYS 39 -9.961 -2.619 -11.599 352 H LYS 40 H LYS 40 -7.206 -4.470 -8.974 353 HA LYS 40 HA LYS 40 -9.806 -5.291 -8.240 354 HB2 LYS 40 2HB LYS 40 -9.016 -7.556 -8.385 355 HB3 LYS 40 3HB LYS 40 -8.224 -6.634 -9.651 356 HG2 LYS 40 2HG LYS 40 -6.160 -6.529 -8.281 357 HG3 LYS 40 3HG LYS 40 -6.960 -7.464 -7.019 358 HD2 LYS 40 2HD LYS 40 -5.467 -8.874 -8.392 359 HD3 LYS 40 3HD LYS 40 -7.147 -9.393 -8.525 360 HE2 LYS 40 2HE LYS 40 -7.347 -8.366 -10.714 361 HE3 LYS 40 3HE LYS 40 -5.751 -7.626 -10.561 362 HZ1 LYS 40 3HZ LYS 40 -4.751 -9.803 -10.577 363 HZ2 LYS 40 1HZ LYS 40 -5.717 -9.607 -11.950 364 HZ3 LYS 40 2HZ LYS 40 -6.269 -10.555 -10.662 365 H TYR 41 H TYR 41 -6.852 -4.904 -6.344 366 HA TYR 41 HA TYR 41 -7.747 -6.103 -3.937 367 HB2 TYR 41 2HB TYR 41 -5.736 -3.844 -4.321 368 HB3 TYR 41 3HB TYR 41 -5.988 -4.704 -2.807 369 HD1 TYR 41 HD1 TYR 41 -6.249 -7.554 -4.067 370 HD2 TYR 41 HD2 TYR 41 -3.405 -4.399 -4.621 371 HE1 TYR 41 HE1 TYR 41 -4.530 -9.190 -4.712 372 HE2 TYR 41 HE2 TYR 41 -1.715 -6.046 -5.263 373 HH TYR 41 HH TYR 41 -2.418 -9.197 -6.062 374 H LEU 42 H LEU 42 -7.744 -2.685 -5.033 375 HA LEU 42 HA LEU 42 -9.137 -1.599 -2.842 376 HB2 LEU 42 2HB LEU 42 -8.967 -0.627 -5.715 377 HB3 LEU 42 3HB LEU 42 -9.711 0.299 -4.422 378 HG LEU 42 HG LEU 42 -6.770 -0.473 -4.573 379 HD11 LEU 42 1HD1 LEU 42 -8.118 2.229 -4.917 380 HD12 LEU 42 2HD1 LEU 42 -7.401 1.253 -6.204 381 HD13 LEU 42 3HD1 LEU 42 -6.377 1.927 -4.935 382 HD21 LEU 42 3HD2 LEU 42 -7.491 -0.402 -2.228 383 HD22 LEU 42 1HD2 LEU 42 -8.212 1.191 -2.470 384 HD23 LEU 42 2HD2 LEU 42 -6.464 0.981 -2.591 385 H GLU 43 H GLU 43 -10.389 -2.974 -5.883 386 HA GLU 43 HA GLU 43 -13.104 -2.333 -5.565 387 HB2 GLU 43 2HB GLU 43 -11.766 -4.589 -7.120 388 HB3 GLU 43 3HB GLU 43 -13.487 -4.233 -7.224 389 HG2 GLU 43 2HG GLU 43 -12.995 -1.983 -8.089 390 HG3 GLU 43 3HG GLU 43 -11.272 -2.286 -7.928 391 H GLU 44 H GLU 44 -11.250 -5.190 -4.506 392 HA GLU 44 HA GLU 44 -13.368 -6.514 -3.155 393 HB2 GLU 44 2HB GLU 44 -10.373 -6.489 -2.569 394 HB3 GLU 44 3HB GLU 44 -11.517 -7.542 -1.747 395 HG2 GLU 44 2HG GLU 44 -10.901 -7.560 -4.707 396 HG3 GLU 44 3HG GLU 44 -10.328 -8.729 -3.521 397 H PHE 45 H PHE 45 -11.134 -3.948 -2.146 398 HA PHE 45 HA PHE 45 -12.021 -3.808 0.564 399 HB2 PHE 45 2HB PHE 45 -10.441 -1.813 -1.112 400 HB3 PHE 45 3HB PHE 45 -10.679 -1.685 0.625 401 HD1 PHE 45 HD2 PHE 45 -10.366 -4.894 0.954 402 HD2 PHE 45 HD1 PHE 45 -7.988 -1.793 -0.802 403 HE1 PHE 45 HE2 PHE 45 -8.338 -6.241 1.298 404 HE2 PHE 45 HE1 PHE 45 -5.977 -3.155 -0.449 405 HZ PHE 45 HZ PHE 45 -6.143 -5.375 0.599 406 H ARG 46 H ARG 46 -13.326 -2.494 -2.385 407 HA ARG 46 HA ARG 46 -14.807 -0.320 -1.302 408 HB2 ARG 46 2HB ARG 46 -15.376 -2.014 -3.770 409 HB3 ARG 46 3HB ARG 46 -16.307 -0.586 -3.325 410 HG2 ARG 46 2HG ARG 46 -14.201 0.774 -3.487 411 HG3 ARG 46 3HG ARG 46 -13.376 -0.669 -4.084 412 HD2 ARG 46 2HD ARG 46 -14.016 0.708 -5.973 413 HD3 ARG 46 3HD ARG 46 -14.994 -0.761 -5.992 414 HE ARG 46 HE ARG 46 -16.287 1.409 -4.627 415 HH11 ARG 46 1HH1 ARG 46 -15.709 0.123 -7.867 416 HH12 ARG 46 2HH1 ARG 46 -17.104 0.903 -8.535 417 HH21 ARG 46 1HH2 ARG 46 -18.073 2.426 -5.533 418 HH22 ARG 46 2HH2 ARG 46 -18.455 2.211 -7.217 419 H LYS 47 H LYS 47 -15.504 -3.768 -1.721 420 HA LYS 47 HA LYS 47 -18.222 -3.934 -1.078 421 HB2 LYS 47 2HB LYS 47 -16.201 -5.993 -0.083 422 HB3 LYS 47 3HB LYS 47 -17.874 -6.260 -0.546 423 HG2 LYS 47 2HG LYS 47 -17.180 -5.727 -2.932 424 HG3 LYS 47 3HG LYS 47 -15.511 -5.758 -2.361 425 HD2 LYS 47 2HD LYS 47 -17.505 -8.045 -2.441 426 HD3 LYS 47 3HD LYS 47 -15.949 -7.939 -3.258 427 HE2 LYS 47 2HE LYS 47 -16.355 -8.225 -0.253 428 HE3 LYS 47 3HE LYS 47 -15.886 -9.514 -1.354 429 HZ1 LYS 47 3HZ LYS 47 -13.976 -8.707 -0.222 430 HZ2 LYS 47 1HZ LYS 47 -14.300 -7.108 -0.658 431 HZ3 LYS 47 2HZ LYS 47 -13.856 -8.238 -1.838 432 H GLU 48 H GLU 48 -15.466 -3.393 0.905 433 HA GLU 48 HA GLU 48 -16.972 -3.564 3.441 434 HB2 GLU 48 2HB GLU 48 -14.888 -4.622 4.389 435 HB3 GLU 48 3HB GLU 48 -15.670 -5.605 3.155 436 HG2 GLU 48 2HG GLU 48 -13.956 -4.424 1.512 437 HG3 GLU 48 3HG GLU 48 -13.072 -4.077 2.997 438 H SER 49 H SER 49 -16.473 -1.196 1.849 439 HA SER 49 HA SER 49 -14.377 0.277 3.210 440 HB2 SER 49 2HB SER 49 -16.622 1.228 1.388 441 HB3 SER 49 3HB SER 49 -15.362 2.276 2.036 442 HG SER 49 HG SER 49 -14.056 0.294 1.038 443 H GLN 50 H GLN 50 -15.865 -0.878 5.174 444 HA GLN 50 HA GLN 50 -17.463 1.253 6.445 445 HB2 GLN 50 2HB GLN 50 -18.287 -0.661 7.923 446 HB3 GLN 50 3HB GLN 50 -18.798 -0.720 6.244 447 HG2 GLN 50 2HG GLN 50 -17.074 -2.431 5.762 448 HG3 GLN 50 3HG GLN 50 -16.555 -2.374 7.447 449 HE21 GLN 50 1HE2 GLN 50 -17.935 -3.232 9.045 450 HE22 GLN 50 2HE2 GLN 50 -19.185 -4.358 8.650 451 H ASN 51 H ASN 51 -15.811 2.462 7.282 452 HA ASN 51 HA ASN 51 -13.981 3.138 8.415 453 HB2 ASN 51 2HB ASN 51 -14.763 0.805 10.215 454 HB3 ASN 51 3HB ASN 51 -13.395 1.847 10.589 455 HD21 ASN 51 1HD2 ASN 51 -15.869 1.445 12.079 456 HD22 ASN 51 2HD2 ASN 51 -16.591 3.006 12.232 457 H ILE 52 H ILE 52 -12.801 2.642 6.507 458 HA ILE 52 HA ILE 52 -10.812 0.481 6.862 459 HB ILE 52 HB ILE 52 -12.591 -0.126 5.183 460 HG12 ILE 52 2HG1 ILE 52 -9.832 0.219 3.919 461 HG13 ILE 52 3HG1 ILE 52 -10.243 -1.053 5.064 462 HG21 ILE 52 1HG2 ILE 52 -12.636 1.003 2.978 463 HG22 ILE 52 2HG2 ILE 52 -11.468 2.190 3.558 464 HG23 ILE 52 3HG2 ILE 52 -13.076 2.115 4.277 465 HD11 ILE 52 3HD1 ILE 52 -10.277 -1.878 2.805 466 HD12 ILE 52 1HD1 ILE 52 -11.466 -0.663 2.340 467 HD13 ILE 52 2HD1 ILE 52 -11.897 -1.928 3.496 468 H LYS 53 H LYS 53 -8.764 0.914 6.157 469 HA LYS 53 HA LYS 53 -8.126 3.369 4.704 470 HB2 LYS 53 2HB LYS 53 -6.703 2.419 7.229 471 HB3 LYS 53 3HB LYS 53 -6.100 3.678 6.158 472 HG2 LYS 53 2HG LYS 53 -8.033 5.099 6.719 473 HG3 LYS 53 3HG LYS 53 -8.669 3.825 7.753 474 HD2 LYS 53 2HD LYS 53 -7.526 5.575 9.078 475 HD3 LYS 53 3HD LYS 53 -6.726 4.011 9.249 476 HE2 LYS 53 2HE LYS 53 -5.066 4.744 7.528 477 HE3 LYS 53 3HE LYS 53 -5.826 6.332 7.516 478 HZ1 LYS 53 3HZ LYS 53 -5.223 6.658 9.778 479 HZ2 LYS 53 1HZ LYS 53 -3.835 6.181 8.937 480 HZ3 LYS 53 2HZ LYS 53 -4.647 5.076 9.929 481 H VAL 54 H VAL 54 -6.592 2.984 3.196 482 HA VAL 54 HA VAL 54 -5.103 0.402 3.186 483 HB VAL 54 HB VAL 54 -6.023 2.037 0.763 484 HG11 VAL 54 1HG1 VAL 54 -4.581 -0.630 0.848 485 HG12 VAL 54 2HG1 VAL 54 -3.887 0.908 0.330 486 HG13 VAL 54 3HG1 VAL 54 -5.187 0.167 -0.606 487 HG21 VAL 54 3HG2 VAL 54 -7.048 -0.648 1.762 488 HG22 VAL 54 1HG2 VAL 54 -7.564 0.163 0.281 489 HG23 VAL 54 2HG2 VAL 54 -7.918 0.884 1.854 490 H LEU 55 H LEU 55 -2.894 0.534 2.946 491 HA LEU 55 HA LEU 55 -1.622 3.208 2.587 492 HB2 LEU 55 2HB LEU 55 -1.265 2.174 4.812 493 HB3 LEU 55 3HB LEU 55 -0.652 0.709 4.057 494 HG LEU 55 HG LEU 55 1.262 2.083 3.119 495 HD11 LEU 55 1HD1 LEU 55 0.264 4.253 4.976 496 HD12 LEU 55 2HD1 LEU 55 0.280 4.311 3.212 497 HD13 LEU 55 3HD1 LEU 55 1.799 4.248 4.101 498 HD21 LEU 55 3HD2 LEU 55 1.538 0.665 5.085 499 HD22 LEU 55 1HD2 LEU 55 1.041 1.995 6.135 500 HD23 LEU 55 2HD2 LEU 55 2.535 2.113 5.200 501 H ILE 56 H ILE 56 -0.904 3.334 0.505 502 HA ILE 56 HA ILE 56 -0.001 0.884 -0.879 503 HB ILE 56 HB ILE 56 -0.847 3.551 -2.118 504 HG12 ILE 56 2HG1 ILE 56 -2.325 0.873 -2.064 505 HG13 ILE 56 3HG1 ILE 56 -2.743 2.261 -1.073 506 HG21 ILE 56 1HG2 ILE 56 -0.146 0.898 -3.454 507 HG22 ILE 56 2HG2 ILE 56 0.833 2.366 -3.498 508 HG23 ILE 56 3HG2 ILE 56 -0.745 2.335 -4.283 509 HD11 ILE 56 3HD1 ILE 56 -4.235 2.047 -2.947 510 HD12 ILE 56 1HD1 ILE 56 -2.884 2.126 -4.077 511 HD13 ILE 56 2HD1 ILE 56 -3.292 3.531 -3.087 512 H LEU 57 H LEU 57 2.183 0.621 -0.799 513 HA LEU 57 HA LEU 57 3.989 2.981 -0.737 514 HB2 LEU 57 2HB LEU 57 4.624 0.054 -0.128 515 HB3 LEU 57 3HB LEU 57 5.799 1.355 -0.131 516 HG LEU 57 HG LEU 57 5.360 0.974 2.150 517 HD11 LEU 57 1HD1 LEU 57 3.586 3.325 1.426 518 HD12 LEU 57 2HD1 LEU 57 5.337 3.364 1.637 519 HD13 LEU 57 3HD1 LEU 57 4.297 3.000 3.010 520 HD21 LEU 57 3HD2 LEU 57 2.377 0.952 1.601 521 HD22 LEU 57 1HD2 LEU 57 3.154 0.761 3.176 522 HD23 LEU 57 2HD2 LEU 57 3.388 -0.460 1.927 523 H VAL 58 H VAL 58 4.774 3.555 -2.652 524 HA VAL 58 HA VAL 58 4.953 1.572 -4.856 525 HB VAL 58 HB VAL 58 4.550 3.420 -6.405 526 HG11 VAL 58 1HG1 VAL 58 2.572 2.257 -5.547 527 HG12 VAL 58 2HG1 VAL 58 2.196 3.951 -5.846 528 HG13 VAL 58 3HG1 VAL 58 2.457 3.383 -4.193 529 HG21 VAL 58 3HG2 VAL 58 4.296 5.238 -3.980 530 HG22 VAL 58 1HG2 VAL 58 4.004 5.693 -5.659 531 HG23 VAL 58 2HG2 VAL 58 5.625 5.246 -5.142 532 H SER 59 H SER 59 6.720 1.746 -6.305 533 HA SER 59 HA SER 59 9.205 2.646 -5.121 534 HB2 SER 59 2HB SER 59 8.636 1.373 -7.832 535 HB3 SER 59 3HB SER 59 10.243 1.637 -7.146 536 HG SER 59 HG SER 59 9.995 -0.064 -5.958 537 H ASN 60 H ASN 60 7.089 3.724 -7.764 538 HA ASN 60 HA ASN 60 8.974 5.936 -8.446 539 HB2 ASN 60 2HB ASN 60 7.034 4.438 -10.273 540 HB3 ASN 60 3HB ASN 60 7.953 5.858 -10.757 541 HD21 ASN 60 1HD2 ASN 60 8.123 2.462 -10.015 542 HD22 ASN 60 2HD2 ASN 60 9.719 2.205 -10.621 543 H ASP 61 H ASP 61 8.094 7.946 -9.038 544 HA ASP 61 HA ASP 61 5.803 8.913 -7.709 545 HB2 ASP 61 2HB ASP 61 6.145 11.009 -8.956 546 HB3 ASP 61 3HB ASP 61 7.691 10.376 -8.410 547 H GLU 62 H GLU 62 6.243 7.503 -10.854 548 HA GLU 62 HA GLU 62 3.877 8.254 -12.149 549 HB2 GLU 62 2HB GLU 62 5.963 7.064 -13.102 550 HB3 GLU 62 3HB GLU 62 5.285 5.576 -12.454 551 HG2 GLU 62 2HG GLU 62 4.757 5.733 -14.803 552 HG3 GLU 62 3HG GLU 62 3.271 5.899 -13.869 553 H GLU 63 H GLU 63 4.682 5.451 -10.152 554 HA GLU 63 HA GLU 63 2.109 4.211 -10.208 555 HB2 GLU 63 2HB GLU 63 4.282 3.742 -8.133 556 HB3 GLU 63 3HB GLU 63 3.039 2.619 -8.661 557 HG2 GLU 63 2HG GLU 63 5.460 3.536 -10.214 558 HG3 GLU 63 3HG GLU 63 5.162 1.923 -9.576 559 H LEU 64 H LEU 64 3.718 6.510 -8.078 560 HA LEU 64 HA LEU 64 2.040 6.590 -5.856 561 HB2 LEU 64 2HB LEU 64 4.191 7.787 -5.977 562 HB3 LEU 64 3HB LEU 64 3.565 8.830 -7.239 563 HG LEU 64 HG LEU 64 1.902 9.752 -5.535 564 HD11 LEU 64 1HD1 LEU 64 2.402 9.453 -3.149 565 HD12 LEU 64 2HD1 LEU 64 3.626 8.246 -3.549 566 HD13 LEU 64 3HD1 LEU 64 1.927 7.940 -3.913 567 HD21 LEU 64 3HD2 LEU 64 3.535 11.251 -4.478 568 HD22 LEU 64 1HD2 LEU 64 3.906 10.997 -6.183 569 HD23 LEU 64 2HD2 LEU 64 4.850 10.168 -4.942 570 H ASP 65 H ASP 65 1.954 8.694 -8.744 571 HA ASP 65 HA ASP 65 -0.408 10.073 -8.139 572 HB2 ASP 65 2HB ASP 65 1.290 10.899 -9.738 573 HB3 ASP 65 3HB ASP 65 0.916 9.591 -10.851 574 H LYS 66 H LYS 66 0.219 7.162 -10.058 575 HA LYS 66 HA LYS 66 -2.270 6.783 -11.279 576 HB2 LYS 66 2HB LYS 66 -0.128 5.575 -11.842 577 HB3 LYS 66 3HB LYS 66 -0.291 4.650 -10.354 578 HG2 LYS 66 2HG LYS 66 -1.042 3.269 -12.173 579 HG3 LYS 66 3HG LYS 66 -2.466 3.732 -11.236 580 HD2 LYS 66 2HD LYS 66 -2.906 5.559 -12.923 581 HD3 LYS 66 3HD LYS 66 -1.552 4.947 -13.875 582 HE2 LYS 66 2HE LYS 66 -2.755 2.741 -14.041 583 HE3 LYS 66 3HE LYS 66 -4.140 3.492 -13.238 584 HZ1 LYS 66 3HZ LYS 66 -2.954 4.253 -15.851 585 HZ2 LYS 66 1HZ LYS 66 -4.156 5.152 -15.063 586 HZ3 LYS 66 2HZ LYS 66 -4.478 3.571 -15.577 587 H ALA 67 H ALA 67 -0.990 5.466 -8.227 588 HA ALA 67 HA ALA 67 -3.299 3.934 -7.559 589 HB1 ALA 67 3HB ALA 67 -1.052 3.329 -6.792 590 HB2 ALA 67 1HB ALA 67 -2.151 3.530 -5.429 591 HB3 ALA 67 2HB ALA 67 -0.974 4.792 -5.810 592 H LYS 68 H LYS 68 -2.252 7.247 -6.773 593 HA LYS 68 HA LYS 68 -4.210 7.760 -4.756 594 HB2 LYS 68 2HB LYS 68 -2.740 9.708 -6.578 595 HB3 LYS 68 3HB LYS 68 -3.770 10.197 -5.236 596 HG2 LYS 68 2HG LYS 68 -2.238 8.872 -3.707 597 HG3 LYS 68 3HG LYS 68 -1.157 8.675 -5.082 598 HD2 LYS 68 2HD LYS 68 -2.001 11.325 -3.854 599 HD3 LYS 68 3HD LYS 68 -0.438 10.541 -3.637 600 HE2 LYS 68 2HE LYS 68 0.050 10.802 -6.032 601 HE3 LYS 68 3HE LYS 68 -1.538 11.531 -6.292 602 HZ1 LYS 68 3HZ LYS 68 -0.881 13.340 -4.800 603 HZ2 LYS 68 1HZ LYS 68 0.163 13.224 -6.127 604 HZ3 LYS 68 2HZ LYS 68 0.643 12.645 -4.614 605 H GLU 69 H GLU 69 -4.211 8.138 -8.294 606 HA GLU 69 HA GLU 69 -6.684 9.504 -8.562 607 HB2 GLU 69 2HB GLU 69 -5.302 7.620 -10.528 608 HB3 GLU 69 3HB GLU 69 -6.677 8.646 -10.928 609 HG2 GLU 69 2HG GLU 69 -5.337 10.651 -10.448 610 HG3 GLU 69 3HG GLU 69 -3.959 9.636 -10.031 611 H LEU 70 H LEU 70 -5.813 6.061 -8.657 612 HA LEU 70 HA LEU 70 -8.398 4.997 -9.080 613 HB2 LEU 70 2HB LEU 70 -5.918 3.728 -7.837 614 HB3 LEU 70 3HB LEU 70 -7.367 2.833 -8.268 615 HG LEU 70 HG LEU 70 -5.578 4.319 -10.245 616 HD11 LEU 70 1HD1 LEU 70 -4.885 2.106 -11.052 617 HD12 LEU 70 2HD1 LEU 70 -5.862 1.327 -9.806 618 HD13 LEU 70 3HD1 LEU 70 -4.473 2.315 -9.349 619 HD21 LEU 70 3HD2 LEU 70 -7.908 4.312 -11.019 620 HD22 LEU 70 1HD2 LEU 70 -8.001 2.562 -10.797 621 HD23 LEU 70 2HD2 LEU 70 -6.924 3.245 -12.016 622 H ALA 71 H ALA 71 -6.515 5.534 -6.083 623 HA ALA 71 HA ALA 71 -8.170 4.521 -4.138 624 HB1 ALA 71 3HB ALA 71 -7.031 6.093 -2.612 625 HB2 ALA 71 1HB ALA 71 -6.442 7.013 -4.004 626 HB3 ALA 71 2HB ALA 71 -5.898 5.355 -3.742 627 H GLN 72 H GLN 72 -8.185 7.858 -5.396 628 HA GLN 72 HA GLN 72 -10.342 8.831 -3.837 629 HB2 GLN 72 2HB GLN 72 -9.192 9.839 -6.472 630 HB3 GLN 72 3HB GLN 72 -10.350 10.733 -5.489 631 HG2 GLN 72 2HG GLN 72 -8.730 10.849 -3.638 632 HG3 GLN 72 3HG GLN 72 -7.579 9.895 -4.570 633 HE21 GLN 72 1HE2 GLN 72 -5.999 11.498 -4.519 634 HE22 GLN 72 2HE2 GLN 72 -6.128 12.973 -5.410 635 H LYS 73 H LYS 73 -10.175 7.346 -7.047 636 HA LYS 73 HA LYS 73 -12.863 7.712 -7.870 637 HB2 LYS 73 2HB LYS 73 -10.767 5.634 -8.603 638 HB3 LYS 73 3HB LYS 73 -12.364 5.630 -9.340 639 HG2 LYS 73 2HG LYS 73 -10.425 7.951 -9.470 640 HG3 LYS 73 3HG LYS 73 -10.595 6.723 -10.719 641 HD2 LYS 73 2HD LYS 73 -12.791 8.624 -9.814 642 HD3 LYS 73 3HD LYS 73 -11.821 8.800 -11.277 643 HE2 LYS 73 2HE LYS 73 -12.727 6.662 -12.137 644 HE3 LYS 73 3HE LYS 73 -13.708 6.494 -10.681 645 HZ1 LYS 73 3HZ LYS 73 -14.989 7.388 -12.512 646 HZ2 LYS 73 1HZ LYS 73 -13.925 8.696 -12.660 647 HZ3 LYS 73 2HZ LYS 73 -14.866 8.524 -11.266 648 H MET 74 H MET 74 -11.280 5.177 -5.972 649 HA MET 74 HA MET 74 -13.609 3.468 -5.757 650 HB2 MET 74 2HB MET 74 -11.045 3.447 -4.094 651 HB3 MET 74 3HB MET 74 -12.238 2.158 -4.188 652 HG2 MET 74 2HG MET 74 -10.570 3.092 -6.512 653 HG3 MET 74 3HG MET 74 -10.165 1.739 -5.470 654 HE1 MET 74 3HE MET 74 -11.051 -0.252 -8.605 655 HE2 MET 74 1HE MET 74 -9.940 -0.036 -7.252 656 HE3 MET 74 2HE MET 74 -10.100 1.228 -8.478 657 H GLU 75 H GLU 75 -12.663 6.365 -4.305 658 HA GLU 75 HA GLU 75 -13.334 7.652 -2.553 659 HB2 GLU 75 2HB GLU 75 -15.648 5.677 -2.390 660 HB3 GLU 75 3HB GLU 75 -15.613 7.264 -1.631 661 HG2 GLU 75 2HG GLU 75 -15.615 8.365 -3.793 662 HG3 GLU 75 3HG GLU 75 -15.458 6.815 -4.623 663 H ILE 76 H ILE 76 -11.774 5.023 -2.043 664 HA ILE 76 HA ILE 76 -12.374 4.401 0.758 665 HB ILE 76 HB ILE 76 -10.122 3.374 -1.050 666 HG12 ILE 76 2HG1 ILE 76 -12.756 1.986 -0.355 667 HG13 ILE 76 3HG1 ILE 76 -12.442 2.803 -1.881 668 HG21 ILE 76 1HG2 ILE 76 -9.871 1.544 0.593 669 HG22 ILE 76 2HG2 ILE 76 -11.152 2.244 1.584 670 HG23 ILE 76 3HG2 ILE 76 -9.625 3.109 1.377 671 HD11 ILE 76 3HD1 ILE 76 -12.210 0.403 -2.071 672 HD12 ILE 76 1HD1 ILE 76 -10.948 0.402 -0.842 673 HD13 ILE 76 2HD1 ILE 76 -10.679 1.212 -2.391 674 H ASP 77 H ASP 77 -11.083 5.116 2.521 675 HA ASP 77 HA ASP 77 -9.358 7.378 2.171 676 HB2 ASP 77 2HB ASP 77 -10.639 7.048 4.273 677 HB3 ASP 77 3HB ASP 77 -9.710 5.582 4.620 678 H VAL 78 H VAL 78 -7.340 7.228 1.361 679 HA VAL 78 HA VAL 78 -5.657 4.865 1.993 680 HB VAL 78 HB VAL 78 -5.924 6.200 -0.752 681 HG11 VAL 78 1HG1 VAL 78 -4.408 4.434 -1.570 682 HG12 VAL 78 2HG1 VAL 78 -4.209 3.832 0.077 683 HG13 VAL 78 3HG1 VAL 78 -3.625 5.442 -0.351 684 HG21 VAL 78 3HG2 VAL 78 -6.854 4.016 -1.519 685 HG22 VAL 78 1HG2 VAL 78 -7.879 4.795 -0.312 686 HG23 VAL 78 2HG2 VAL 78 -6.850 3.444 0.148 687 H ARG 79 H ARG 79 -3.602 5.279 2.485 688 HA ARG 79 HA ARG 79 -2.380 7.944 2.096 689 HB2 ARG 79 2HB ARG 79 -1.741 5.649 4.008 690 HB3 ARG 79 3HB ARG 79 -0.512 6.830 3.583 691 HG2 ARG 79 2HG ARG 79 -1.405 7.464 5.685 692 HG3 ARG 79 3HG ARG 79 -1.994 8.629 4.503 693 HD2 ARG 79 2HD ARG 79 -4.203 7.653 4.543 694 HD3 ARG 79 3HD ARG 79 -3.642 6.276 5.502 695 HE ARG 79 HE ARG 79 -3.107 7.978 7.273 696 HH11 ARG 79 1HH1 ARG 79 -5.693 8.638 4.983 697 HH12 ARG 79 2HH1 ARG 79 -6.535 9.685 6.078 698 HH21 ARG 79 1HH2 ARG 79 -4.241 9.289 8.679 699 HH22 ARG 79 2HH2 ARG 79 -5.711 10.053 8.164 700 H THR 80 H THR 80 -1.453 7.905 0.069 701 HA THR 80 HA THR 80 -0.081 5.423 -0.838 702 HB THR 80 HB THR 80 -0.880 7.803 -2.588 703 HG1 THR 80 HG1 THR 80 -2.189 5.289 -2.267 704 HG21 THR 80 3HG2 THR 80 -0.483 6.241 -4.461 705 HG22 THR 80 1HG2 THR 80 0.002 4.981 -3.319 706 HG23 THR 80 2HG2 THR 80 0.984 6.435 -3.502 707 H ARG 81 H ARG 81 2.046 5.510 -0.528 708 HA ARG 81 HA ARG 81 3.464 8.105 -0.303 709 HB2 ARG 81 2HB ARG 81 3.986 5.547 1.294 710 HB3 ARG 81 3HB ARG 81 4.838 7.073 1.472 711 HG2 ARG 81 2HG ARG 81 1.937 6.541 2.164 712 HG3 ARG 81 3HG ARG 81 3.265 6.772 3.301 713 HD2 ARG 81 2HD ARG 81 2.057 8.840 1.439 714 HD3 ARG 81 3HD ARG 81 1.994 8.817 3.205 715 HE ARG 81 HE ARG 81 4.664 8.878 2.647 716 HH11 ARG 81 1HH1 ARG 81 1.977 10.996 1.775 717 HH12 ARG 81 2HH1 ARG 81 2.987 12.406 1.669 718 HH21 ARG 81 1HH2 ARG 81 5.954 10.731 2.439 719 HH22 ARG 81 2HH2 ARG 81 5.225 12.256 2.043 720 H LYS 82 H LYS 82 5.156 8.292 -1.691 721 HA LYS 82 HA LYS 82 6.113 6.015 -3.221 722 HB2 LYS 82 2HB LYS 82 5.800 8.184 -4.384 723 HB3 LYS 82 3HB LYS 82 6.987 8.937 -3.319 724 HG2 LYS 82 2HG LYS 82 8.672 7.183 -4.196 725 HG3 LYS 82 3HG LYS 82 7.465 6.797 -5.426 726 HD2 LYS 82 2HD LYS 82 9.109 8.358 -6.335 727 HD3 LYS 82 3HD LYS 82 7.540 9.158 -6.215 728 HE2 LYS 82 2HE LYS 82 8.279 10.237 -4.096 729 HE3 LYS 82 3HE LYS 82 9.857 9.466 -4.269 730 HZ1 LYS 82 3HZ LYS 82 10.241 10.689 -6.263 731 HZ2 LYS 82 1HZ LYS 82 9.803 11.779 -5.051 732 HZ3 LYS 82 2HZ LYS 82 8.684 11.346 -6.242 733 H VAL 83 H VAL 83 7.537 4.757 -2.300 734 HA VAL 83 HA VAL 83 9.645 5.831 -0.537 735 HB VAL 83 HB VAL 83 9.859 3.572 0.370 736 HG11 VAL 83 1HG1 VAL 83 6.945 4.464 0.209 737 HG12 VAL 83 2HG1 VAL 83 8.150 5.009 1.378 738 HG13 VAL 83 3HG1 VAL 83 7.594 3.339 1.404 739 HG21 VAL 83 3HG2 VAL 83 9.424 2.220 -1.653 740 HG22 VAL 83 1HG2 VAL 83 7.720 2.689 -1.624 741 HG23 VAL 83 2HG2 VAL 83 8.387 1.689 -0.328 742 H THR 84 H THR 84 11.688 5.794 -1.206 743 HA THR 84 HA THR 84 12.452 4.367 -3.692 744 HB THR 84 HB THR 84 14.513 5.945 -3.558 745 HG1 THR 84 HG1 THR 84 12.907 7.713 -2.086 746 HG21 THR 84 3HG2 THR 84 13.332 7.834 -4.616 747 HG22 THR 84 1HG2 THR 84 11.784 7.202 -4.047 748 HG23 THR 84 2HG2 THR 84 12.731 6.295 -5.229 749 H SER 85 H SER 85 12.699 4.266 -0.325 750 HA SER 85 HA SER 85 14.885 2.283 -0.414 751 HB2 SER 85 2HB SER 85 14.475 4.422 1.739 752 HB3 SER 85 3HB SER 85 15.760 3.216 1.690 753 HG SER 85 HG SER 85 15.476 5.583 0.274 754 HA PRO 86 HA PRO 86 11.849 -0.334 1.613 755 HB2 PRO 86 2HB PRO 86 13.483 -1.933 3.220 756 HB3 PRO 86 3HB PRO 86 13.289 -2.135 1.468 757 HG2 PRO 86 2HG PRO 86 15.465 -0.687 2.948 758 HG3 PRO 86 3HG PRO 86 15.597 -1.834 1.590 759 HD2 PRO 86 2HD PRO 86 15.763 0.794 1.146 760 HD3 PRO 86 3HD PRO 86 14.883 -0.251 0.009 761 H ASP 87 H ASP 87 14.153 1.331 3.764 762 HA ASP 87 HA ASP 87 12.671 0.885 6.181 763 HB2 ASP 87 2HB ASP 87 14.894 2.850 5.526 764 HB3 ASP 87 3HB ASP 87 14.110 2.833 7.104 765 H GLU 88 H GLU 88 12.445 3.278 3.648 766 HA GLU 88 HA GLU 88 10.772 5.158 4.960 767 HB2 GLU 88 2HB GLU 88 10.758 4.423 1.995 768 HB3 GLU 88 3HB GLU 88 10.092 5.891 2.699 769 HG2 GLU 88 2HG GLU 88 13.010 5.107 2.574 770 HG3 GLU 88 3HG GLU 88 12.216 6.362 1.628 771 H ALA 89 H ALA 89 10.085 2.253 3.017 772 HA ALA 89 HA ALA 89 7.269 2.341 3.065 773 HB1 ALA 89 3HB ALA 89 8.531 0.912 1.510 774 HB2 ALA 89 1HB ALA 89 7.363 -0.039 2.426 775 HB3 ALA 89 2HB ALA 89 9.077 -0.094 2.852 776 H LYS 90 H LYS 90 9.597 0.625 5.139 777 HA LYS 90 HA LYS 90 7.915 -0.637 6.948 778 HB2 LYS 90 2HB LYS 90 10.702 0.543 7.345 779 HB3 LYS 90 3HB LYS 90 9.934 -0.584 8.461 780 HG2 LYS 90 2HG LYS 90 9.975 -2.366 6.817 781 HG3 LYS 90 3HG LYS 90 10.500 -1.251 5.552 782 HD2 LYS 90 2HD LYS 90 12.380 -2.657 6.388 783 HD3 LYS 90 3HD LYS 90 12.665 -0.936 6.649 784 HE2 LYS 90 2HE LYS 90 11.937 -1.225 9.027 785 HE3 LYS 90 3HE LYS 90 11.775 -2.956 8.737 786 HZ1 LYS 90 3HZ LYS 90 13.892 -2.377 9.775 787 HZ2 LYS 90 1HZ LYS 90 14.293 -1.408 8.446 788 HZ3 LYS 90 2HZ LYS 90 14.119 -3.077 8.253 789 H ARG 91 H ARG 91 9.281 2.642 7.030 790 HA ARG 91 HA ARG 91 8.494 3.512 9.555 791 HB2 ARG 91 2HB ARG 91 10.056 4.790 8.155 792 HB3 ARG 91 3HB ARG 91 8.802 5.088 6.957 793 HG2 ARG 91 2HG ARG 91 7.542 6.401 8.700 794 HG3 ARG 91 3HG ARG 91 8.923 6.205 9.776 795 HD2 ARG 91 2HD ARG 91 10.351 7.472 8.256 796 HD3 ARG 91 3HD ARG 91 9.051 7.555 7.054 797 HE ARG 91 HE ARG 91 8.355 8.643 9.637 798 HH11 ARG 91 1HH1 ARG 91 9.761 9.492 6.515 799 HH12 ARG 91 2HH1 ARG 91 9.412 11.180 6.701 800 HH21 ARG 91 1HH2 ARG 91 7.895 10.832 9.846 801 HH22 ARG 91 2HH2 ARG 91 8.353 11.941 8.590 802 H TRP 92 H TRP 92 6.786 4.059 6.417 803 HA TRP 92 HA TRP 92 4.540 5.294 7.516 804 HB2 TRP 92 2HB TRP 92 4.743 3.767 4.888 805 HB3 TRP 92 3HB TRP 92 3.473 4.915 5.310 806 HD1 TRP 92 HD1 TRP 92 6.452 4.848 3.290 807 HE1 TRP 92 HE1 TRP 92 7.478 7.174 2.959 808 HE3 TRP 92 HE3 TRP 92 3.969 7.363 6.972 809 HZ2 TRP 92 HZ2 TRP 92 7.267 9.738 4.084 810 HZ3 TRP 92 HZ3 TRP 92 4.434 9.763 7.285 811 HH2 TRP 92 HH2 TRP 92 6.051 10.927 5.865 812 H ILE 93 H ILE 93 5.267 1.883 7.173 813 HA ILE 93 HA ILE 93 2.622 0.845 7.443 814 HB ILE 93 HB ILE 93 5.380 -0.381 7.869 815 HG12 ILE 93 2HG1 ILE 93 3.274 -0.873 5.706 816 HG13 ILE 93 3HG1 ILE 93 4.661 0.194 5.527 817 HG21 ILE 93 1HG2 ILE 93 2.729 -1.863 8.057 818 HG22 ILE 93 2HG2 ILE 93 3.849 -1.573 9.389 819 HG23 ILE 93 3HG2 ILE 93 4.327 -2.612 8.048 820 HD11 ILE 93 3HD1 ILE 93 4.752 -2.786 5.928 821 HD12 ILE 93 1HD1 ILE 93 6.155 -1.721 5.796 822 HD13 ILE 93 2HD1 ILE 93 5.053 -1.901 4.431 823 H LYS 94 H LYS 94 5.292 1.386 9.761 824 HA LYS 94 HA LYS 94 3.951 0.588 12.109 825 HB2 LYS 94 2HB LYS 94 6.426 0.988 11.934 826 HB3 LYS 94 3HB LYS 94 6.114 2.716 11.831 827 HG2 LYS 94 2HG LYS 94 4.896 2.413 14.134 828 HG3 LYS 94 3HG LYS 94 5.747 0.868 14.197 829 HD2 LYS 94 2HD LYS 94 7.021 2.544 15.429 830 HD3 LYS 94 3HD LYS 94 7.925 2.088 13.982 831 HE2 LYS 94 2HE LYS 94 7.278 4.138 12.857 832 HE3 LYS 94 3HE LYS 94 6.159 4.562 14.154 833 HZ1 LYS 94 3HZ LYS 94 8.078 4.732 15.655 834 HZ2 LYS 94 1HZ LYS 94 8.172 5.820 14.361 835 HZ3 LYS 94 2HZ LYS 94 9.120 4.420 14.363 836 H GLU 95 H GLU 95 4.193 3.737 10.443 837 HA GLU 95 HA GLU 95 2.867 5.269 12.453 838 HB2 GLU 95 2HB GLU 95 3.524 5.880 9.550 839 HB3 GLU 95 3HB GLU 95 2.745 7.045 10.619 840 HG2 GLU 95 2HG GLU 95 4.728 6.831 12.176 841 HG3 GLU 95 3HG GLU 95 5.512 5.843 10.941 842 H PHE 96 H PHE 96 1.787 3.473 9.683 843 HA PHE 96 HA PHE 96 -0.825 4.511 9.336 844 HB2 PHE 96 2HB PHE 96 0.451 3.036 7.738 845 HB3 PHE 96 3HB PHE 96 0.199 1.677 8.825 846 HD1 PHE 96 HD1 PHE 96 -1.826 4.329 7.064 847 HD2 PHE 96 HD2 PHE 96 -1.541 0.234 8.267 848 HE1 PHE 96 HE1 PHE 96 -3.888 3.807 5.830 849 HE2 PHE 96 HE2 PHE 96 -3.593 -0.271 7.038 850 HZ PHE 96 HZ PHE 96 -4.756 1.504 5.822 851 H SER 97 H SER 97 0.503 1.934 11.309 852 HA SER 97 HA SER 97 -1.893 1.152 12.661 853 HB2 SER 97 2HB SER 97 0.024 -0.373 12.476 854 HB3 SER 97 3HB SER 97 1.053 0.760 13.350 855 HG SER 97 HG SER 97 -1.286 -0.389 14.475 856 H GLU 98 H GLU 98 0.775 3.454 13.442 857 HA GLU 98 HA GLU 98 0.015 4.203 16.034 858 HB2 GLU 98 2HB GLU 98 1.345 5.933 13.911 859 HB3 GLU 98 3HB GLU 98 1.256 6.347 15.618 860 HG2 GLU 98 2HG GLU 98 2.741 4.007 14.409 861 HG3 GLU 98 3HG GLU 98 3.453 5.476 15.067 862 H GLU 99 H GLU 99 -1.092 5.418 12.916 863 HA GLU 99 HA GLU 99 -2.809 7.501 13.826 864 HB2 GLU 99 2HB GLU 99 -2.926 5.821 11.277 865 HB3 GLU 99 3HB GLU 99 -3.886 7.265 11.571 866 HG2 GLU 99 2HG GLU 99 -1.822 8.619 11.652 867 HG3 GLU 99 3HG GLU 99 -0.873 7.163 11.339 868 H GLY 100 H GLY 100 -3.219 4.054 13.116 869 HA2 GLY 100 2HA GLY 100 -4.904 2.547 13.451 870 HA3 GLY 100 3HA GLY 100 -5.565 3.639 14.667 871 H GLY 101 H GLY 101 -7.284 4.961 14.128 872 HA2 GLY 101 2HA GLY 101 -8.577 4.547 11.506 873 HA3 GLY 101 3HA GLY 101 -9.330 5.196 12.957 874 H SER 102 H SER 102 -9.346 6.252 10.237 875 HA SER 102 HA SER 102 -7.904 8.786 10.441 876 HB2 SER 102 2HB SER 102 -9.072 9.210 8.175 877 HB3 SER 102 3HB SER 102 -7.872 7.920 8.234 878 HG SER 102 HG SER 102 -9.482 6.901 7.296 879 H LEU 103 H LEU 103 -9.081 9.056 12.509 880 HA LEU 103 HA LEU 103 -11.846 9.866 12.548 881 HB2 LEU 103 2HB LEU 103 -9.662 10.238 14.640 882 HB3 LEU 103 3HB LEU 103 -11.374 10.538 14.899 883 HG LEU 103 HG LEU 103 -10.082 7.830 14.382 884 HD11 LEU 103 1HD1 LEU 103 -9.708 8.657 16.653 885 HD12 LEU 103 2HD1 LEU 103 -10.808 7.284 16.666 886 HD13 LEU 103 3HD1 LEU 103 -11.443 8.918 16.871 887 HD21 LEU 103 3HD2 LEU 103 -12.316 6.836 14.711 888 HD22 LEU 103 1HD2 LEU 103 -12.267 7.868 13.283 889 HD23 LEU 103 2HD2 LEU 103 -13.033 8.447 14.764 890 H GLU 104 H GLU 104 -9.004 11.434 11.610 891 HA GLU 104 HA GLU 104 -9.430 14.160 11.934 892 HB2 GLU 104 2HB GLU 104 -8.305 14.396 9.672 893 HB3 GLU 104 3HB GLU 104 -7.435 13.346 10.789 894 HG2 GLU 104 2HG GLU 104 -8.139 11.377 9.678 895 HG3 GLU 104 3HG GLU 104 -9.371 12.231 8.753 896 H HIS 105 H HIS 105 -10.988 11.895 9.725 897 HA HIS 105 HA HIS 105 -13.271 13.747 9.483 898 HB2 HIS 105 2HB HIS 105 -13.807 12.653 7.257 899 HB3 HIS 105 3HB HIS 105 -12.355 13.644 7.245 900 HD1 HIS 105 HD1 HIS 105 -13.481 10.060 7.009 901 HD2 HIS 105 HD2 HIS 105 -9.985 12.254 6.683 902 HE1 HIS 105 HE1 HIS 105 -11.791 8.495 6.021 903 HE2 HIS 105 HE2 HIS 105 -9.654 9.795 6.066 904 H HIS 106 H HIS 106 -13.659 12.635 11.593 905 HA HIS 106 HA HIS 106 -14.525 9.930 11.755 906 HB2 HIS 106 2HB HIS 106 -14.095 11.330 13.767 907 HB3 HIS 106 3HB HIS 106 -15.463 12.358 13.355 908 HD1 HIS 106 HD1 HIS 106 -17.834 11.463 13.893 909 HD2 HIS 106 HD2 HIS 106 -14.786 8.821 14.889 910 HE1 HIS 106 HE1 HIS 106 -18.917 9.672 15.271 911 HE2 HIS 106 HE2 HIS 106 -17.103 7.992 15.675 912 H HIS 107 H HIS 107 -15.966 9.210 10.251 913 HA HIS 107 HA HIS 107 -17.454 11.057 8.698 914 HB2 HIS 107 2HB HIS 107 -16.322 8.756 7.984 915 HB3 HIS 107 3HB HIS 107 -17.892 8.073 8.395 916 HD1 HIS 107 HD1 HIS 107 -16.110 9.392 5.621 917 HD2 HIS 107 HD2 HIS 107 -20.066 9.630 6.860 918 HE1 HIS 107 HE1 HIS 107 -17.400 10.154 3.611 919 HE2 HIS 107 HE2 HIS 107 -19.745 10.481 4.441 920 H HIS 108 H HIS 108 -18.912 11.997 10.113 921 HA HIS 108 HA HIS 108 -21.288 10.630 10.998 922 HB2 HIS 108 2HB HIS 108 -20.359 12.984 11.730 923 HB3 HIS 108 3HB HIS 108 -21.100 13.587 10.261 924 HD1 HIS 108 HD1 HIS 108 -23.487 14.299 10.474 925 HD2 HIS 108 HD2 HIS 108 -22.297 11.801 13.568 926 HE1 HIS 108 HE1 HIS 108 -25.405 14.272 12.095 927 HE2 HIS 108 HE2 HIS 108 -24.681 12.709 13.933 928 H HIS 109 H HIS 109 -23.368 10.730 9.780 929 HA HIS 109 HA HIS 109 -22.882 9.743 7.163 930 HB2 HIS 109 2HB HIS 109 -24.676 8.894 8.723 931 HB3 HIS 109 3HB HIS 109 -25.608 10.347 8.394 932 HD1 HIS 109 HD1 HIS 109 -27.508 9.594 6.969 933 HD2 HIS 109 HD2 HIS 109 -23.923 7.860 5.778 934 HE1 HIS 109 HE1 HIS 109 -28.059 8.241 4.925 935 HE2 HIS 109 HE2 HIS 109 -25.899 7.121 4.294 936 H HIS 110 H HIS 110 -21.939 11.459 6.030 937 HA HIS 110 HA HIS 110 -23.791 12.833 4.342 938 HB2 HIS 110 2HB HIS 110 -22.807 15.125 4.548 939 HB3 HIS 110 3HB HIS 110 -23.606 14.608 6.032 940 HD1 HIS 110 HD1 HIS 110 -20.254 15.519 4.639 941 HD2 HIS 110 HD2 HIS 110 -21.873 14.282 8.249 942 HE1 HIS 110 HE1 HIS 110 -18.474 15.947 6.355 943 HE2 HIS 110 HE2 HIS 110 -19.557 15.368 8.541 Start of MODEL 5 1 H1 MET 1 1H MET 1 -12.265 -1.719 13.075 2 H2 MET 1 2H MET 1 -11.843 -0.506 14.169 3 H3 MET 1 3H MET 1 -10.890 -1.893 14.036 4 HA MET 1 HA MET 1 -11.307 0.129 11.935 5 HB2 MET 1 2HB MET 1 -9.909 0.921 13.847 6 HB3 MET 1 3HB MET 1 -8.845 -0.460 13.638 7 HG2 MET 1 2HG MET 1 -7.633 1.190 12.570 8 HG3 MET 1 3HG MET 1 -8.528 0.540 11.203 9 HE1 MET 1 3HE MET 1 -10.286 1.976 9.789 10 HE2 MET 1 1HE MET 1 -11.081 3.414 10.428 11 HE3 MET 1 2HE MET 1 -11.384 1.840 11.164 12 H LEU 2 H LEU 2 -10.817 -0.557 9.915 13 HA LEU 2 HA LEU 2 -9.322 -3.080 9.544 14 HB2 LEU 2 2HB LEU 2 -11.012 -1.514 7.549 15 HB3 LEU 2 3HB LEU 2 -10.278 -3.086 7.274 16 HG LEU 2 HG LEU 2 -12.529 -2.487 9.235 17 HD11 LEU 2 1HD1 LEU 2 -13.280 -2.430 6.918 18 HD12 LEU 2 2HD1 LEU 2 -13.932 -3.840 7.748 19 HD13 LEU 2 3HD1 LEU 2 -12.582 -4.027 6.624 20 HD21 LEU 2 3HD2 LEU 2 -12.644 -4.921 9.618 21 HD22 LEU 2 1HD2 LEU 2 -11.107 -4.241 10.150 22 HD23 LEU 2 2HD2 LEU 2 -11.194 -5.147 8.637 23 H LEU 3 H LEU 3 -7.191 -2.784 9.217 24 HA LEU 3 HA LEU 3 -6.214 -0.428 7.701 25 HB2 LEU 3 2HB LEU 3 -4.784 -2.132 9.784 26 HB3 LEU 3 3HB LEU 3 -4.038 -0.827 8.878 27 HG LEU 3 HG LEU 3 -6.329 -0.477 10.849 28 HD11 LEU 3 1HD1 LEU 3 -4.235 -1.157 11.956 29 HD12 LEU 3 2HD1 LEU 3 -4.694 0.489 12.366 30 HD13 LEU 3 3HD1 LEU 3 -3.392 0.203 11.207 31 HD21 LEU 3 3HD2 LEU 3 -4.668 1.611 9.393 32 HD22 LEU 3 1HD2 LEU 3 -5.867 1.937 10.650 33 HD23 LEU 3 2HD2 LEU 3 -6.373 1.244 9.113 34 H TYR 4 H TYR 4 -5.394 -0.867 5.743 35 HA TYR 4 HA TYR 4 -4.314 -3.553 5.125 36 HB2 TYR 4 2HB TYR 4 -6.313 -1.941 3.476 37 HB3 TYR 4 3HB TYR 4 -5.401 -3.301 2.821 38 HD1 TYR 4 HD1 TYR 4 -5.666 -5.591 3.911 39 HD2 TYR 4 HD2 TYR 4 -8.335 -2.364 4.750 40 HE1 TYR 4 HE1 TYR 4 -7.295 -7.178 4.827 41 HE2 TYR 4 HE2 TYR 4 -9.970 -3.966 5.657 42 HH TYR 4 HH TYR 4 -9.177 -7.106 6.490 43 H VAL 5 H VAL 5 -2.574 -3.607 3.812 44 HA VAL 5 HA VAL 5 -1.407 -1.053 2.871 45 HB VAL 5 HB VAL 5 0.087 -3.448 4.072 46 HG11 VAL 5 1HG1 VAL 5 1.216 -0.821 3.046 47 HG12 VAL 5 2HG1 VAL 5 1.409 -2.404 2.289 48 HG13 VAL 5 3HG1 VAL 5 2.130 -2.088 3.867 49 HG21 VAL 5 3HG2 VAL 5 -0.293 -0.649 5.213 50 HG22 VAL 5 1HG2 VAL 5 0.695 -1.928 5.926 51 HG23 VAL 5 2HG2 VAL 5 -1.055 -2.125 5.809 52 H LEU 6 H LEU 6 -0.960 -1.036 0.801 53 HA LEU 6 HA LEU 6 -0.567 -3.460 -0.812 54 HB2 LEU 6 2HB LEU 6 -1.513 -0.710 -1.763 55 HB3 LEU 6 3HB LEU 6 -1.382 -2.163 -2.740 56 HG LEU 6 HG LEU 6 -3.398 -1.648 -0.525 57 HD11 LEU 6 1HD1 LEU 6 -3.934 -0.465 -2.603 58 HD12 LEU 6 2HD1 LEU 6 -5.093 -1.754 -2.293 59 HD13 LEU 6 3HD1 LEU 6 -3.834 -1.977 -3.513 60 HD21 LEU 6 3HD2 LEU 6 -2.760 -3.978 -0.431 61 HD22 LEU 6 1HD2 LEU 6 -3.010 -4.159 -2.171 62 HD23 LEU 6 2HD2 LEU 6 -4.381 -3.838 -1.106 63 H ILE 7 H ILE 7 1.349 -3.487 -2.026 64 HA ILE 7 HA ILE 7 3.099 -1.107 -1.864 65 HB ILE 7 HB ILE 7 3.882 -2.679 -0.167 66 HG12 ILE 7 2HG1 ILE 7 5.779 -2.701 -2.554 67 HG13 ILE 7 3HG1 ILE 7 5.557 -1.342 -1.459 68 HG21 ILE 7 1HG2 ILE 7 4.716 -4.936 -0.651 69 HG22 ILE 7 2HG2 ILE 7 4.189 -4.776 -2.326 70 HG23 ILE 7 3HG2 ILE 7 2.995 -4.794 -1.029 71 HD11 ILE 7 3HD1 ILE 7 7.576 -2.595 -0.959 72 HD12 ILE 7 1HD1 ILE 7 6.628 -4.054 -0.686 73 HD13 ILE 7 2HD1 ILE 7 6.438 -2.662 0.383 74 H ILE 8 H ILE 8 3.171 -0.379 -3.898 75 HA ILE 8 HA ILE 8 3.423 -2.177 -6.194 76 HB ILE 8 HB ILE 8 3.573 0.880 -6.153 77 HG12 ILE 8 2HG1 ILE 8 1.128 -0.895 -6.571 78 HG13 ILE 8 3HG1 ILE 8 1.401 0.197 -5.225 79 HG21 ILE 8 1HG2 ILE 8 3.040 -1.043 -8.449 80 HG22 ILE 8 2HG2 ILE 8 4.534 -0.144 -8.177 81 HG23 ILE 8 3HG2 ILE 8 3.045 0.718 -8.563 82 HD11 ILE 8 3HD1 ILE 8 0.908 0.961 -8.092 83 HD12 ILE 8 1HD1 ILE 8 1.296 2.095 -6.796 84 HD13 ILE 8 2HD1 ILE 8 -0.185 1.148 -6.721 85 H SER 9 H SER 9 5.412 -3.124 -6.066 86 HA SER 9 HA SER 9 7.769 -1.531 -6.616 87 HB2 SER 9 2HB SER 9 7.698 -1.565 -4.099 88 HB3 SER 9 3HB SER 9 7.689 -3.328 -4.140 89 HG SER 9 HG SER 9 9.754 -1.551 -4.919 90 H ASN 10 H ASN 10 9.166 -2.651 -7.880 91 HA ASN 10 HA ASN 10 8.676 -5.474 -8.500 92 HB2 ASN 10 2HB ASN 10 10.619 -3.434 -9.676 93 HB3 ASN 10 3HB ASN 10 10.516 -5.110 -10.212 94 HD21 ASN 10 1HD2 ASN 10 10.061 -2.702 -11.771 95 HD22 ASN 10 2HD2 ASN 10 8.437 -2.779 -12.356 96 H ASP 11 H ASP 11 10.547 -3.637 -6.345 97 HA ASP 11 HA ASP 11 12.907 -5.270 -6.199 98 HB2 ASP 11 2HB ASP 11 11.795 -3.249 -4.197 99 HB3 ASP 11 3HB ASP 11 13.414 -3.937 -4.166 100 H LYS 12 H LYS 12 12.634 -7.361 -5.605 101 HA LYS 12 HA LYS 12 10.576 -8.382 -3.961 102 HB2 LYS 12 2HB LYS 12 13.049 -9.483 -5.230 103 HB3 LYS 12 3HB LYS 12 12.467 -10.378 -3.839 104 HG2 LYS 12 2HG LYS 12 11.694 -11.326 -5.968 105 HG3 LYS 12 3HG LYS 12 10.357 -10.839 -4.940 106 HD2 LYS 12 2HD LYS 12 11.292 -8.923 -7.087 107 HD3 LYS 12 3HD LYS 12 10.368 -10.341 -7.573 108 HE2 LYS 12 2HE LYS 12 8.552 -9.643 -5.992 109 HE3 LYS 12 3HE LYS 12 9.463 -8.170 -5.653 110 HZ1 LYS 12 3HZ LYS 12 8.357 -8.990 -8.292 111 HZ2 LYS 12 1HZ LYS 12 9.301 -7.613 -8.031 112 HZ3 LYS 12 2HZ LYS 12 7.778 -7.744 -7.310 113 H LYS 13 H LYS 13 13.892 -7.356 -3.191 114 HA LYS 13 HA LYS 13 13.956 -8.441 -0.548 115 HB2 LYS 13 2HB LYS 13 15.593 -6.138 -1.690 116 HB3 LYS 13 3HB LYS 13 15.957 -7.024 -0.220 117 HG2 LYS 13 2HG LYS 13 16.037 -8.135 -3.039 118 HG3 LYS 13 3HG LYS 13 17.424 -7.667 -2.064 119 HD2 LYS 13 2HD LYS 13 17.496 -9.924 -1.637 120 HD3 LYS 13 3HD LYS 13 16.349 -9.491 -0.374 121 HE2 LYS 13 2HE LYS 13 14.482 -10.101 -1.920 122 HE3 LYS 13 3HE LYS 13 15.675 -10.603 -3.120 123 HZ1 LYS 13 3HZ LYS 13 15.348 -11.789 -0.403 124 HZ2 LYS 13 1HZ LYS 13 16.486 -12.270 -1.564 125 HZ3 LYS 13 2HZ LYS 13 14.838 -12.487 -1.858 126 H LEU 14 H LEU 14 13.194 -5.212 -1.878 127 HA LEU 14 HA LEU 14 12.736 -3.839 0.540 128 HB2 LEU 14 2HB LEU 14 13.109 -2.834 -1.716 129 HB3 LEU 14 3HB LEU 14 11.502 -3.326 -2.197 130 HG LEU 14 HG LEU 14 11.821 -1.454 0.172 131 HD11 LEU 14 1HD1 LEU 14 13.218 -0.452 -1.561 132 HD12 LEU 14 2HD1 LEU 14 11.758 0.500 -1.314 133 HD13 LEU 14 3HD1 LEU 14 11.894 -0.558 -2.723 134 HD21 LEU 14 3HD2 LEU 14 9.560 -2.297 -0.306 135 HD22 LEU 14 1HD2 LEU 14 9.655 -1.669 -1.955 136 HD23 LEU 14 2HD2 LEU 14 9.654 -0.560 -0.578 137 H ILE 15 H ILE 15 10.580 -5.781 -1.497 138 HA ILE 15 HA ILE 15 8.168 -5.312 -0.074 139 HB ILE 15 HB ILE 15 8.992 -7.600 -1.911 140 HG12 ILE 15 2HG1 ILE 15 7.162 -5.195 -2.372 141 HG13 ILE 15 3HG1 ILE 15 8.796 -5.367 -2.994 142 HG21 ILE 15 1HG2 ILE 15 6.219 -7.067 -0.787 143 HG22 ILE 15 2HG2 ILE 15 7.250 -8.444 -0.391 144 HG23 ILE 15 3HG2 ILE 15 6.616 -8.260 -2.025 145 HD11 ILE 15 3HD1 ILE 15 6.400 -7.024 -3.769 146 HD12 ILE 15 1HD1 ILE 15 8.046 -7.279 -4.355 147 HD13 ILE 15 2HD1 ILE 15 7.198 -5.781 -4.730 148 H GLU 16 H GLU 16 10.725 -7.776 0.277 149 HA GLU 16 HA GLU 16 9.528 -9.394 2.263 150 HB2 GLU 16 2HB GLU 16 12.476 -8.758 1.817 151 HB3 GLU 16 3HB GLU 16 11.898 -9.993 2.931 152 HG2 GLU 16 2HG GLU 16 10.919 -11.246 1.070 153 HG3 GLU 16 3HG GLU 16 11.432 -9.999 -0.063 154 H GLU 17 H GLU 17 11.683 -6.599 2.552 155 HA GLU 17 HA GLU 17 11.883 -6.399 5.330 156 HB2 GLU 17 2HB GLU 17 12.082 -4.322 3.122 157 HB3 GLU 17 3HB GLU 17 12.442 -3.947 4.798 158 HG2 GLU 17 2HG GLU 17 13.884 -6.023 3.130 159 HG3 GLU 17 3HG GLU 17 14.467 -4.395 3.460 160 H ALA 18 H ALA 18 9.585 -4.864 3.097 161 HA ALA 18 HA ALA 18 8.150 -3.319 4.991 162 HB1 ALA 18 3HB ALA 18 8.111 -2.845 2.583 163 HB2 ALA 18 1HB ALA 18 6.472 -3.101 3.184 164 HB3 ALA 18 2HB ALA 18 7.291 -4.377 2.276 165 H ARG 19 H ARG 19 7.612 -6.538 3.571 166 HA ARG 19 HA ARG 19 5.102 -7.113 4.684 167 HB2 ARG 19 2HB ARG 19 6.421 -8.389 2.801 168 HB3 ARG 19 3HB ARG 19 7.135 -9.310 4.118 169 HG2 ARG 19 2HG ARG 19 4.573 -9.670 4.807 170 HG3 ARG 19 3HG ARG 19 4.293 -9.288 3.109 171 HD2 ARG 19 2HD ARG 19 4.424 -11.651 3.204 172 HD3 ARG 19 3HD ARG 19 6.000 -11.151 2.578 173 HE ARG 19 HE ARG 19 6.395 -11.281 5.272 174 HH11 ARG 19 1HH1 ARG 19 5.191 -13.631 2.935 175 HH12 ARG 19 2HH1 ARG 19 5.757 -14.994 3.844 176 HH21 ARG 19 1HH2 ARG 19 7.090 -13.072 6.449 177 HH22 ARG 19 2HH2 ARG 19 6.836 -14.680 5.839 178 H LYS 20 H LYS 20 8.372 -7.634 5.914 179 HA LYS 20 HA LYS 20 7.873 -9.176 8.194 180 HB2 LYS 20 2HB LYS 20 9.947 -7.006 7.678 181 HB3 LYS 20 3HB LYS 20 9.959 -7.990 9.130 182 HG2 LYS 20 2HG LYS 20 9.931 -9.546 6.588 183 HG3 LYS 20 3HG LYS 20 11.359 -8.551 6.829 184 HD2 LYS 20 2HD LYS 20 11.765 -10.809 7.643 185 HD3 LYS 20 3HD LYS 20 11.788 -9.667 8.987 186 HE2 LYS 20 2HE LYS 20 10.627 -11.728 9.619 187 HE3 LYS 20 3HE LYS 20 9.502 -10.371 9.612 188 HZ1 LYS 20 3HZ LYS 20 8.688 -11.102 7.461 189 HZ2 LYS 20 1HZ LYS 20 8.554 -12.345 8.598 190 HZ3 LYS 20 2HZ LYS 20 9.792 -12.386 7.446 191 H MET 21 H MET 21 7.878 -5.621 7.806 192 HA MET 21 HA MET 21 7.164 -5.014 10.495 193 HB2 MET 21 2HB MET 21 7.284 -3.438 7.922 194 HB3 MET 21 3HB MET 21 6.504 -2.717 9.324 195 HG2 MET 21 2HG MET 21 9.361 -3.704 9.205 196 HG3 MET 21 3HG MET 21 8.831 -2.026 9.168 197 HE1 MET 21 3HE MET 21 7.475 -0.891 11.265 198 HE2 MET 21 1HE MET 21 7.234 -1.721 12.803 199 HE3 MET 21 2HE MET 21 6.383 -2.274 11.363 200 H ALA 22 H ALA 22 5.229 -5.512 7.575 201 HA ALA 22 HA ALA 22 2.736 -4.752 8.645 202 HB1 ALA 22 3HB ALA 22 3.153 -5.053 6.247 203 HB2 ALA 22 1HB ALA 22 1.774 -6.017 6.779 204 HB3 ALA 22 2HB ALA 22 3.333 -6.793 6.484 205 H GLU 23 H GLU 23 4.461 -7.867 8.686 206 HA GLU 23 HA GLU 23 2.501 -9.405 10.056 207 HB2 GLU 23 2HB GLU 23 5.541 -9.666 9.955 208 HB3 GLU 23 3HB GLU 23 4.477 -10.886 10.647 209 HG2 GLU 23 2HG GLU 23 3.486 -11.355 8.486 210 HG3 GLU 23 3HG GLU 23 4.328 -9.993 7.750 211 H LYS 24 H LYS 24 5.210 -7.417 11.152 212 HA LYS 24 HA LYS 24 5.070 -7.926 13.939 213 HB2 LYS 24 2HB LYS 24 6.260 -5.623 12.337 214 HB3 LYS 24 3HB LYS 24 6.439 -5.765 14.084 215 HG2 LYS 24 2HG LYS 24 7.722 -7.798 13.875 216 HG3 LYS 24 3HG LYS 24 7.374 -7.904 12.148 217 HD2 LYS 24 2HD LYS 24 9.681 -7.100 12.632 218 HD3 LYS 24 3HD LYS 24 8.734 -5.950 11.687 219 HE2 LYS 24 2HE LYS 24 10.093 -4.860 13.451 220 HE3 LYS 24 3HE LYS 24 8.367 -4.572 13.669 221 HZ1 LYS 24 3HZ LYS 24 8.312 -6.221 15.399 222 HZ2 LYS 24 1HZ LYS 24 9.549 -5.123 15.748 223 HZ3 LYS 24 2HZ LYS 24 9.923 -6.648 15.123 224 H ALA 25 H ALA 25 3.465 -5.590 11.856 225 HA ALA 25 HA ALA 25 2.183 -4.202 14.104 226 HB1 ALA 25 3HB ALA 25 1.446 -2.598 12.389 227 HB2 ALA 25 1HB ALA 25 2.146 -3.610 11.122 228 HB3 ALA 25 2HB ALA 25 3.188 -2.846 12.325 229 H ASN 26 H ASN 26 1.541 -6.941 12.377 230 HA ASN 26 HA ASN 26 -0.221 -8.335 12.214 231 HB2 ASN 26 2HB ASN 26 -0.647 -7.700 14.564 232 HB3 ASN 26 3HB ASN 26 -1.614 -6.330 14.045 233 HD21 ASN 26 1HD2 ASN 26 -1.497 -9.853 14.220 234 HD22 ASN 26 2HD2 ASN 26 -3.203 -10.101 14.101 235 H LEU 27 H LEU 27 0.077 -5.784 10.492 236 HA LEU 27 HA LEU 27 -2.584 -5.363 9.373 237 HB2 LEU 27 2HB LEU 27 0.082 -4.308 8.337 238 HB3 LEU 27 3HB LEU 27 -1.521 -3.699 7.953 239 HG LEU 27 HG LEU 27 -0.027 -3.428 10.579 240 HD11 LEU 27 1HD1 LEU 27 -0.993 -1.305 8.641 241 HD12 LEU 27 2HD1 LEU 27 0.675 -1.828 8.882 242 HD13 LEU 27 3HD1 LEU 27 -0.185 -1.016 10.186 243 HD21 LEU 27 3HD2 LEU 27 -2.313 -3.877 11.175 244 HD22 LEU 27 1HD2 LEU 27 -2.904 -2.670 10.030 245 HD23 LEU 27 2HD2 LEU 27 -1.974 -2.171 11.445 246 H GLU 28 H GLU 28 -3.106 -5.770 7.157 247 HA GLU 28 HA GLU 28 -1.883 -8.090 5.882 248 HB2 GLU 28 2HB GLU 28 -4.222 -6.264 5.181 249 HB3 GLU 28 3HB GLU 28 -3.649 -7.489 4.060 250 HG2 GLU 28 2HG GLU 28 -4.577 -8.139 6.866 251 HG3 GLU 28 3HG GLU 28 -5.650 -8.124 5.469 252 H LEU 29 H LEU 29 -0.364 -7.997 4.276 253 HA LEU 29 HA LEU 29 -0.006 -5.463 2.762 254 HB2 LEU 29 2HB LEU 29 1.896 -5.838 4.252 255 HB3 LEU 29 3HB LEU 29 2.161 -7.438 3.592 256 HG LEU 29 HG LEU 29 2.245 -5.207 1.577 257 HD11 LEU 29 1HD1 LEU 29 4.507 -4.474 2.147 258 HD12 LEU 29 2HD1 LEU 29 4.469 -5.449 3.618 259 HD13 LEU 29 3HD1 LEU 29 3.361 -4.089 3.431 260 HD21 LEU 29 3HD2 LEU 29 4.184 -6.464 0.708 261 HD22 LEU 29 1HD2 LEU 29 2.765 -7.495 0.894 262 HD23 LEU 29 2HD2 LEU 29 4.077 -7.579 2.072 263 H ARG 30 H ARG 30 -0.291 -5.632 0.643 264 HA ARG 30 HA ARG 30 -0.342 -8.291 -0.658 265 HB2 ARG 30 2HB ARG 30 -2.248 -5.967 -1.183 266 HB3 ARG 30 3HB ARG 30 -2.250 -7.500 -2.036 267 HG2 ARG 30 2HG ARG 30 -2.934 -7.076 0.888 268 HG3 ARG 30 3HG ARG 30 -4.072 -7.426 -0.412 269 HD2 ARG 30 2HD ARG 30 -2.938 -9.629 -0.755 270 HD3 ARG 30 3HD ARG 30 -1.889 -9.269 0.616 271 HE ARG 30 HE ARG 30 -3.938 -9.240 2.016 272 HH11 ARG 30 1HH1 ARG 30 -4.038 -10.995 -1.045 273 HH12 ARG 30 2HH1 ARG 30 -5.308 -12.058 -0.520 274 HH21 ARG 30 1HH2 ARG 30 -5.557 -10.686 2.700 275 HH22 ARG 30 2HH2 ARG 30 -6.164 -11.887 1.592 276 H THR 31 H THR 31 0.794 -8.416 -2.520 277 HA THR 31 HA THR 31 2.518 -6.186 -3.246 278 HB THR 31 HB THR 31 3.658 -7.933 -4.681 279 HG1 THR 31 HG1 THR 31 1.938 -9.335 -5.075 280 HG21 THR 31 3HG2 THR 31 4.589 -9.231 -2.818 281 HG22 THR 31 1HG2 THR 31 3.239 -8.751 -1.786 282 HG23 THR 31 2HG2 THR 31 4.397 -7.540 -2.346 283 H VAL 32 H VAL 32 2.108 -4.878 -4.895 284 HA VAL 32 HA VAL 32 0.027 -5.549 -6.876 285 HB VAL 32 HB VAL 32 1.260 -2.842 -6.186 286 HG11 VAL 32 1HG1 VAL 32 0.332 -2.927 -8.451 287 HG12 VAL 32 2HG1 VAL 32 -0.639 -1.886 -7.413 288 HG13 VAL 32 3HG1 VAL 32 -1.213 -3.505 -7.820 289 HG21 VAL 32 3HG2 VAL 32 -0.795 -2.356 -4.916 290 HG22 VAL 32 1HG2 VAL 32 0.057 -3.742 -4.235 291 HG23 VAL 32 2HG2 VAL 32 -1.387 -3.990 -5.218 292 H LYS 33 H LYS 33 0.727 -6.151 -8.829 293 HA LYS 33 HA LYS 33 3.440 -5.655 -9.769 294 HB2 LYS 33 2HB LYS 33 1.141 -7.032 -11.234 295 HB3 LYS 33 3HB LYS 33 2.851 -7.118 -11.638 296 HG2 LYS 33 2HG LYS 33 3.279 -8.353 -9.527 297 HG3 LYS 33 3HG LYS 33 1.557 -8.272 -9.147 298 HD2 LYS 33 2HD LYS 33 1.073 -9.565 -11.243 299 HD3 LYS 33 3HD LYS 33 2.813 -9.712 -11.517 300 HE2 LYS 33 2HE LYS 33 1.975 -11.755 -10.495 301 HE3 LYS 33 3HE LYS 33 3.017 -10.923 -9.342 302 HZ1 LYS 33 3HZ LYS 33 0.043 -10.810 -9.352 303 HZ2 LYS 33 1HZ LYS 33 1.064 -10.078 -8.221 304 HZ3 LYS 33 2HZ LYS 33 0.984 -11.760 -8.318 305 H THR 34 H THR 34 0.165 -5.131 -11.096 306 HA THR 34 HA THR 34 1.081 -2.741 -12.600 307 HB THR 34 HB THR 34 -0.498 -3.425 -14.422 308 HG1 THR 34 HG1 THR 34 -0.870 -5.987 -13.929 309 HG21 THR 34 3HG2 THR 34 1.536 -5.596 -13.782 310 HG22 THR 34 1HG2 THR 34 1.884 -4.086 -14.632 311 HG23 THR 34 2HG2 THR 34 0.813 -5.283 -15.360 312 H GLU 35 H GLU 35 -1.017 -1.617 -13.500 313 HA GLU 35 HA GLU 35 -2.500 -0.353 -11.545 314 HB2 GLU 35 2HB GLU 35 -2.298 0.453 -13.859 315 HB3 GLU 35 3HB GLU 35 -3.186 -0.938 -14.460 316 HG2 GLU 35 2HG GLU 35 -5.124 0.011 -12.931 317 HG3 GLU 35 3HG GLU 35 -4.221 1.516 -13.042 318 H ASP 36 H ASP 36 -3.252 -3.248 -13.402 319 HA ASP 36 HA ASP 36 -5.967 -3.590 -12.782 320 HB2 ASP 36 2HB ASP 36 -4.815 -4.678 -14.687 321 HB3 ASP 36 3HB ASP 36 -3.875 -5.667 -13.574 322 H GLU 37 H GLU 37 -3.031 -4.754 -11.165 323 HA GLU 37 HA GLU 37 -4.248 -6.455 -9.253 324 HB2 GLU 37 2HB GLU 37 -1.597 -4.960 -9.225 325 HB3 GLU 37 3HB GLU 37 -2.028 -6.223 -8.085 326 HG2 GLU 37 2HG GLU 37 -1.932 -6.709 -11.069 327 HG3 GLU 37 3HG GLU 37 -0.513 -6.861 -10.043 328 H LEU 38 H LEU 38 -3.218 -3.047 -9.180 329 HA LEU 38 HA LEU 38 -3.637 -2.480 -6.458 330 HB2 LEU 38 2HB LEU 38 -2.378 -1.147 -8.316 331 HB3 LEU 38 3HB LEU 38 -3.929 -0.461 -8.729 332 HG LEU 38 HG LEU 38 -2.417 1.002 -7.308 333 HD11 LEU 38 1HD1 LEU 38 -4.803 1.485 -7.406 334 HD12 LEU 38 2HD1 LEU 38 -4.126 1.878 -5.831 335 HD13 LEU 38 3HD1 LEU 38 -5.094 0.414 -6.034 336 HD21 LEU 38 3HD2 LEU 38 -3.053 -0.966 -5.092 337 HD22 LEU 38 1HD2 LEU 38 -2.203 0.573 -4.915 338 HD23 LEU 38 2HD2 LEU 38 -1.478 -0.729 -5.852 339 H LYS 39 H LYS 39 -5.721 -2.072 -9.291 340 HA LYS 39 HA LYS 39 -7.997 -0.981 -7.999 341 HB2 LYS 39 2HB LYS 39 -7.709 -2.457 -10.651 342 HB3 LYS 39 3HB LYS 39 -9.184 -1.641 -10.134 343 HG2 LYS 39 2HG LYS 39 -8.127 0.519 -10.201 344 HG3 LYS 39 3HG LYS 39 -6.529 -0.206 -10.402 345 HD2 LYS 39 2HD LYS 39 -7.301 0.708 -12.530 346 HD3 LYS 39 3HD LYS 39 -7.188 -1.046 -12.636 347 HE2 LYS 39 2HE LYS 39 -9.681 -1.149 -12.263 348 HE3 LYS 39 3HE LYS 39 -9.714 0.613 -12.357 349 HZ1 LYS 39 3HZ LYS 39 -8.779 -1.215 -14.510 350 HZ2 LYS 39 1HZ LYS 39 -8.813 0.472 -14.598 351 HZ3 LYS 39 2HZ LYS 39 -10.256 -0.395 -14.480 352 H LYS 40 H LYS 40 -7.047 -4.318 -8.810 353 HA LYS 40 HA LYS 40 -9.398 -5.709 -8.213 354 HB2 LYS 40 2HB LYS 40 -7.688 -6.982 -9.264 355 HB3 LYS 40 3HB LYS 40 -6.451 -6.441 -8.137 356 HG2 LYS 40 2HG LYS 40 -7.476 -7.833 -6.359 357 HG3 LYS 40 3HG LYS 40 -8.685 -8.405 -7.510 358 HD2 LYS 40 2HD LYS 40 -7.001 -9.547 -8.815 359 HD3 LYS 40 3HD LYS 40 -5.694 -8.801 -7.885 360 HE2 LYS 40 2HE LYS 40 -6.149 -11.184 -7.257 361 HE3 LYS 40 3HE LYS 40 -6.300 -10.059 -5.907 362 HZ1 LYS 40 3HZ LYS 40 -8.575 -11.123 -7.495 363 HZ2 LYS 40 1HZ LYS 40 -8.684 -10.119 -6.137 364 HZ3 LYS 40 2HZ LYS 40 -8.097 -11.699 -5.981 365 H TYR 41 H TYR 41 -6.659 -4.868 -6.131 366 HA TYR 41 HA TYR 41 -7.605 -6.075 -3.759 367 HB2 TYR 41 2HB TYR 41 -5.632 -3.790 -4.143 368 HB3 TYR 41 3HB TYR 41 -5.912 -4.600 -2.602 369 HD1 TYR 41 HD1 TYR 41 -6.060 -7.449 -3.402 370 HD2 TYR 41 HD2 TYR 41 -3.396 -4.388 -4.738 371 HE1 TYR 41 HE1 TYR 41 -4.372 -9.149 -3.933 372 HE2 TYR 41 HE2 TYR 41 -1.706 -6.098 -5.276 373 HH TYR 41 HH TYR 41 -1.133 -8.408 -4.604 374 H LEU 42 H LEU 42 -7.888 -2.754 -5.016 375 HA LEU 42 HA LEU 42 -9.281 -1.650 -2.825 376 HB2 LEU 42 2HB LEU 42 -9.257 -0.811 -5.742 377 HB3 LEU 42 3HB LEU 42 -9.981 0.140 -4.457 378 HG LEU 42 HG LEU 42 -7.022 -0.494 -4.785 379 HD11 LEU 42 1HD1 LEU 42 -8.517 2.140 -4.985 380 HD12 LEU 42 2HD1 LEU 42 -7.834 1.219 -6.325 381 HD13 LEU 42 3HD1 LEU 42 -6.767 1.930 -5.119 382 HD21 LEU 42 3HD2 LEU 42 -8.354 1.066 -2.545 383 HD22 LEU 42 1HD2 LEU 42 -6.613 0.928 -2.816 384 HD23 LEU 42 2HD2 LEU 42 -7.552 -0.501 -2.397 385 H GLU 43 H GLU 43 -10.533 -3.418 -5.673 386 HA GLU 43 HA GLU 43 -13.291 -3.002 -5.241 387 HB2 GLU 43 2HB GLU 43 -11.894 -5.444 -6.418 388 HB3 GLU 43 3HB GLU 43 -13.631 -5.165 -6.483 389 HG2 GLU 43 2HG GLU 43 -13.262 -3.121 -7.815 390 HG3 GLU 43 3HG GLU 43 -11.525 -3.396 -7.748 391 H GLU 44 H GLU 44 -11.126 -5.559 -4.001 392 HA GLU 44 HA GLU 44 -12.939 -6.844 -2.290 393 HB2 GLU 44 2HB GLU 44 -9.922 -6.556 -2.258 394 HB3 GLU 44 3HB GLU 44 -10.726 -7.261 -0.859 395 HG2 GLU 44 2HG GLU 44 -10.026 -9.081 -2.180 396 HG3 GLU 44 3HG GLU 44 -11.759 -8.961 -2.421 397 H PHE 45 H PHE 45 -10.941 -3.947 -1.759 398 HA PHE 45 HA PHE 45 -11.709 -3.601 0.971 399 HB2 PHE 45 2HB PHE 45 -10.422 -1.620 -0.948 400 HB3 PHE 45 3HB PHE 45 -10.520 -1.427 0.802 401 HD1 PHE 45 HD2 PHE 45 -9.930 -4.612 1.178 402 HD2 PHE 45 HD1 PHE 45 -7.966 -1.365 -0.810 403 HE1 PHE 45 HE2 PHE 45 -7.775 -5.780 1.379 404 HE2 PHE 45 HE1 PHE 45 -5.825 -2.549 -0.599 405 HZ PHE 45 HZ PHE 45 -5.722 -4.752 0.492 406 H ARG 46 H ARG 46 -13.303 -2.688 -1.988 407 HA ARG 46 HA ARG 46 -14.843 -0.506 -0.913 408 HB2 ARG 46 2HB ARG 46 -15.026 -2.126 -3.464 409 HB3 ARG 46 3HB ARG 46 -16.356 -1.062 -3.013 410 HG2 ARG 46 2HG ARG 46 -14.724 0.848 -2.919 411 HG3 ARG 46 3HG ARG 46 -13.481 -0.246 -3.532 412 HD2 ARG 46 2HD ARG 46 -14.484 1.165 -5.320 413 HD3 ARG 46 3HD ARG 46 -14.709 -0.558 -5.609 414 HE ARG 46 HE ARG 46 -16.991 -0.322 -5.318 415 HH11 ARG 46 1HH1 ARG 46 -15.474 2.770 -4.547 416 HH12 ARG 46 2HH1 ARG 46 -16.972 3.643 -4.557 417 HH21 ARG 46 1HH2 ARG 46 -18.937 0.855 -5.320 418 HH22 ARG 46 2HH2 ARG 46 -18.922 2.559 -4.990 419 H LYS 47 H LYS 47 -15.573 -3.958 -1.519 420 HA LYS 47 HA LYS 47 -18.275 -3.966 -0.732 421 HB2 LYS 47 2HB LYS 47 -18.090 -6.395 -0.557 422 HB3 LYS 47 3HB LYS 47 -17.109 -5.869 -1.921 423 HG2 LYS 47 2HG LYS 47 -15.089 -5.998 -0.493 424 HG3 LYS 47 3HG LYS 47 -16.079 -6.588 0.835 425 HD2 LYS 47 2HD LYS 47 -16.603 -8.631 -0.462 426 HD3 LYS 47 3HD LYS 47 -15.639 -8.023 -1.816 427 HE2 LYS 47 2HE LYS 47 -13.614 -8.052 -0.417 428 HE3 LYS 47 3HE LYS 47 -14.558 -8.594 0.972 429 HZ1 LYS 47 3HZ LYS 47 -14.203 -10.128 -1.548 430 HZ2 LYS 47 1HZ LYS 47 -15.033 -10.649 -0.172 431 HZ3 LYS 47 2HZ LYS 47 -13.363 -10.404 -0.107 432 H GLU 48 H GLU 48 -15.342 -3.973 1.161 433 HA GLU 48 HA GLU 48 -16.833 -4.345 3.699 434 HB2 GLU 48 2HB GLU 48 -14.806 -5.399 4.611 435 HB3 GLU 48 3HB GLU 48 -15.297 -6.235 3.141 436 HG2 GLU 48 2HG GLU 48 -13.561 -4.867 1.898 437 HG3 GLU 48 3HG GLU 48 -12.992 -4.288 3.461 438 H SER 49 H SER 49 -16.358 -1.796 2.247 439 HA SER 49 HA SER 49 -14.225 -0.376 3.514 440 HB2 SER 49 2HB SER 49 -15.278 1.647 2.460 441 HB3 SER 49 3HB SER 49 -15.005 0.320 1.334 442 HG SER 49 HG SER 49 -17.061 0.277 0.946 443 H GLN 50 H GLN 50 -16.716 -1.559 5.128 444 HA GLN 50 HA GLN 50 -17.713 0.426 6.808 445 HB2 GLN 50 2HB GLN 50 -18.061 -1.468 8.451 446 HB3 GLN 50 3HB GLN 50 -18.695 -1.774 6.844 447 HG2 GLN 50 2HG GLN 50 -16.666 -3.150 6.346 448 HG3 GLN 50 3HG GLN 50 -16.133 -2.908 8.008 449 HE21 GLN 50 1HE2 GLN 50 -17.428 -3.839 9.721 450 HE22 GLN 50 2HE2 GLN 50 -18.416 -5.222 9.402 451 H ASN 51 H ASN 51 -16.165 1.934 7.336 452 HA ASN 51 HA ASN 51 -14.436 2.998 8.299 453 HB2 ASN 51 2HB ASN 51 -14.795 0.846 10.424 454 HB3 ASN 51 3HB ASN 51 -13.804 2.287 10.637 455 HD21 ASN 51 1HD2 ASN 51 -16.168 1.389 12.117 456 HD22 ASN 51 2HD2 ASN 51 -17.305 2.684 12.017 457 H ILE 52 H ILE 52 -13.094 2.460 6.524 458 HA ILE 52 HA ILE 52 -10.958 0.483 7.081 459 HB ILE 52 HB ILE 52 -12.636 -0.207 5.266 460 HG12 ILE 52 2HG1 ILE 52 -9.748 0.029 4.299 461 HG13 ILE 52 3HG1 ILE 52 -10.293 -1.153 5.483 462 HG21 ILE 52 1HG2 ILE 52 -12.405 0.771 3.013 463 HG22 ILE 52 2HG2 ILE 52 -11.278 1.974 3.638 464 HG23 ILE 52 3HG2 ILE 52 -12.959 1.981 4.174 465 HD11 ILE 52 3HD1 ILE 52 -11.765 -2.161 3.824 466 HD12 ILE 52 1HD1 ILE 52 -10.089 -2.133 3.277 467 HD13 ILE 52 2HD1 ILE 52 -11.245 -0.971 2.626 468 H LYS 53 H LYS 53 -8.901 0.990 6.401 469 HA LYS 53 HA LYS 53 -8.304 3.574 5.121 470 HB2 LYS 53 2HB LYS 53 -6.963 2.458 7.637 471 HB3 LYS 53 3HB LYS 53 -6.322 3.803 6.699 472 HG2 LYS 53 2HG LYS 53 -8.147 5.227 7.310 473 HG3 LYS 53 3HG LYS 53 -9.067 3.876 7.980 474 HD2 LYS 53 2HD LYS 53 -7.337 3.615 9.767 475 HD3 LYS 53 3HD LYS 53 -6.482 5.018 9.117 476 HE2 LYS 53 2HE LYS 53 -8.213 6.509 9.753 477 HE3 LYS 53 3HE LYS 53 -9.377 5.199 9.980 478 HZ1 LYS 53 3HZ LYS 53 -6.991 5.686 11.679 479 HZ2 LYS 53 1HZ LYS 53 -8.128 4.462 11.910 480 HZ3 LYS 53 2HZ LYS 53 -8.578 6.081 12.087 481 H VAL 54 H VAL 54 -6.889 3.262 3.493 482 HA VAL 54 HA VAL 54 -5.280 0.764 3.367 483 HB VAL 54 HB VAL 54 -6.357 2.383 1.009 484 HG11 VAL 54 1HG1 VAL 54 -5.583 0.533 -0.422 485 HG12 VAL 54 2HG1 VAL 54 -4.901 -0.282 0.986 486 HG13 VAL 54 3HG1 VAL 54 -4.234 1.262 0.455 487 HG21 VAL 54 3HG2 VAL 54 -7.912 0.514 0.593 488 HG22 VAL 54 1HG2 VAL 54 -8.188 1.225 2.186 489 HG23 VAL 54 2HG2 VAL 54 -7.324 -0.307 2.042 490 H LEU 55 H LEU 55 -3.124 0.977 2.952 491 HA LEU 55 HA LEU 55 -1.944 3.652 2.414 492 HB2 LEU 55 2HB LEU 55 -1.327 2.892 4.653 493 HB3 LEU 55 3HB LEU 55 -0.899 1.299 4.051 494 HG LEU 55 HG LEU 55 1.022 2.333 2.799 495 HD11 LEU 55 1HD1 LEU 55 0.222 4.608 2.546 496 HD12 LEU 55 2HD1 LEU 55 1.799 4.576 3.330 497 HD13 LEU 55 3HD1 LEU 55 0.346 4.869 4.290 498 HD21 LEU 55 3HD2 LEU 55 2.481 2.606 4.728 499 HD22 LEU 55 1HD2 LEU 55 1.370 1.260 4.969 500 HD23 LEU 55 2HD2 LEU 55 1.084 2.797 5.787 501 H ILE 56 H ILE 56 -0.868 3.732 0.478 502 HA ILE 56 HA ILE 56 -0.041 1.210 -0.842 503 HB ILE 56 HB ILE 56 -0.960 3.807 -2.187 504 HG12 ILE 56 2HG1 ILE 56 -2.381 1.099 -2.053 505 HG13 ILE 56 3HG1 ILE 56 -2.833 2.516 -1.117 506 HG21 ILE 56 1HG2 ILE 56 -0.185 1.143 -3.442 507 HG22 ILE 56 2HG2 ILE 56 0.753 2.636 -3.517 508 HG23 ILE 56 3HG2 ILE 56 -0.820 2.542 -4.308 509 HD11 ILE 56 3HD1 ILE 56 -3.409 3.696 -3.178 510 HD12 ILE 56 1HD1 ILE 56 -4.313 2.194 -2.998 511 HD13 ILE 56 2HD1 ILE 56 -2.957 2.274 -4.123 512 H LEU 57 H LEU 57 2.122 1.017 -0.875 513 HA LEU 57 HA LEU 57 3.884 3.393 -0.782 514 HB2 LEU 57 2HB LEU 57 4.570 0.457 -0.285 515 HB3 LEU 57 3HB LEU 57 5.707 1.785 -0.222 516 HG LEU 57 HG LEU 57 5.292 1.297 2.030 517 HD11 LEU 57 1HD1 LEU 57 4.135 3.214 2.978 518 HD12 LEU 57 2HD1 LEU 57 3.415 3.580 1.410 519 HD13 LEU 57 3HD1 LEU 57 5.164 3.683 1.626 520 HD21 LEU 57 3HD2 LEU 57 2.315 1.148 1.486 521 HD22 LEU 57 1HD2 LEU 57 3.106 0.928 3.052 522 HD23 LEU 57 2HD2 LEU 57 3.400 -0.221 1.749 523 H VAL 58 H VAL 58 4.598 4.026 -2.733 524 HA VAL 58 HA VAL 58 4.623 2.102 -4.991 525 HB VAL 58 HB VAL 58 4.237 4.029 -6.466 526 HG11 VAL 58 1HG1 VAL 58 1.932 4.581 -5.807 527 HG12 VAL 58 2HG1 VAL 58 2.244 4.007 -4.165 528 HG13 VAL 58 3HG1 VAL 58 2.275 2.876 -5.516 529 HG21 VAL 58 3HG2 VAL 58 4.141 5.749 -3.957 530 HG22 VAL 58 1HG2 VAL 58 3.785 6.283 -5.600 531 HG23 VAL 58 2HG2 VAL 58 5.414 5.776 -5.179 532 H SER 59 H SER 59 6.437 1.946 -6.284 533 HA SER 59 HA SER 59 8.907 3.226 -5.318 534 HB2 SER 59 2HB SER 59 8.436 0.863 -7.170 535 HB3 SER 59 3HB SER 59 10.030 1.473 -6.712 536 HG SER 59 HG SER 59 8.585 1.141 -4.491 537 H ASN 60 H ASN 60 6.618 4.030 -7.506 538 HA ASN 60 HA ASN 60 8.528 5.702 -9.023 539 HB2 ASN 60 2HB ASN 60 6.057 4.346 -10.220 540 HB3 ASN 60 3HB ASN 60 7.072 5.520 -11.054 541 HD21 ASN 60 1HD2 ASN 60 9.212 4.902 -11.642 542 HD22 ASN 60 2HD2 ASN 60 9.658 3.241 -11.790 543 H ASP 61 H ASP 61 7.934 7.862 -9.047 544 HA ASP 61 HA ASP 61 5.699 8.833 -7.588 545 HB2 ASP 61 2HB ASP 61 6.335 11.042 -8.351 546 HB3 ASP 61 3HB ASP 61 7.793 10.136 -7.975 547 H GLU 62 H GLU 62 6.119 7.897 -10.892 548 HA GLU 62 HA GLU 62 3.781 8.782 -12.143 549 HB2 GLU 62 2HB GLU 62 5.143 6.062 -12.361 550 HB3 GLU 62 3HB GLU 62 4.011 6.725 -13.538 551 HG2 GLU 62 2HG GLU 62 5.567 8.425 -14.203 552 HG3 GLU 62 3HG GLU 62 6.641 8.062 -12.852 553 H GLU 63 H GLU 63 4.395 5.832 -10.265 554 HA GLU 63 HA GLU 63 1.733 4.880 -10.178 555 HB2 GLU 63 2HB GLU 63 4.159 4.160 -8.479 556 HB3 GLU 63 3HB GLU 63 2.623 3.303 -8.424 557 HG2 GLU 63 2HG GLU 63 4.483 3.511 -10.801 558 HG3 GLU 63 3HG GLU 63 4.188 2.079 -9.816 559 H LEU 64 H LEU 64 3.533 7.069 -8.089 560 HA LEU 64 HA LEU 64 1.856 7.199 -5.857 561 HB2 LEU 64 2HB LEU 64 4.095 8.329 -6.124 562 HB3 LEU 64 3HB LEU 64 3.348 9.498 -7.194 563 HG LEU 64 HG LEU 64 1.889 10.237 -5.245 564 HD11 LEU 64 1HD1 LEU 64 2.563 9.633 -2.970 565 HD12 LEU 64 2HD1 LEU 64 3.748 8.490 -3.609 566 HD13 LEU 64 3HD1 LEU 64 2.026 8.222 -3.876 567 HD21 LEU 64 3HD2 LEU 64 4.891 10.528 -4.868 568 HD22 LEU 64 1HD2 LEU 64 3.651 11.568 -4.157 569 HD23 LEU 64 2HD2 LEU 64 3.869 11.526 -5.905 570 H ASP 65 H ASP 65 1.822 9.258 -8.776 571 HA ASP 65 HA ASP 65 -0.575 10.651 -8.306 572 HB2 ASP 65 2HB ASP 65 1.120 11.448 -9.880 573 HB3 ASP 65 3HB ASP 65 0.943 10.008 -10.871 574 H LYS 66 H LYS 66 0.143 7.660 -9.990 575 HA LYS 66 HA LYS 66 -2.320 7.196 -11.272 576 HB2 LYS 66 2HB LYS 66 -0.098 6.138 -11.836 577 HB3 LYS 66 3HB LYS 66 -0.227 5.176 -10.370 578 HG2 LYS 66 2HG LYS 66 -0.834 3.799 -12.228 579 HG3 LYS 66 3HG LYS 66 -2.302 4.125 -11.301 580 HD2 LYS 66 2HD LYS 66 -2.956 5.853 -12.949 581 HD3 LYS 66 3HD LYS 66 -1.469 5.551 -13.861 582 HE2 LYS 66 2HE LYS 66 -2.206 3.246 -14.312 583 HE3 LYS 66 3HE LYS 66 -3.673 3.517 -13.369 584 HZ1 LYS 66 3HZ LYS 66 -4.301 5.248 -14.967 585 HZ2 LYS 66 1HZ LYS 66 -4.132 3.729 -15.700 586 HZ3 LYS 66 2HZ LYS 66 -2.926 4.899 -15.888 587 H ALA 67 H ALA 67 -0.994 5.964 -8.183 588 HA ALA 67 HA ALA 67 -3.229 4.311 -7.547 589 HB1 ALA 67 3HB ALA 67 -1.000 5.326 -5.752 590 HB2 ALA 67 1HB ALA 67 -0.987 3.835 -6.694 591 HB3 ALA 67 2HB ALA 67 -2.130 4.024 -5.365 592 H LYS 68 H LYS 68 -2.367 7.678 -6.801 593 HA LYS 68 HA LYS 68 -4.472 8.181 -4.949 594 HB2 LYS 68 2HB LYS 68 -2.921 10.051 -6.779 595 HB3 LYS 68 3HB LYS 68 -4.191 10.632 -5.704 596 HG2 LYS 68 2HG LYS 68 -2.940 9.758 -3.750 597 HG3 LYS 68 3HG LYS 68 -1.663 9.194 -4.824 598 HD2 LYS 68 2HD LYS 68 -2.481 12.098 -4.409 599 HD3 LYS 68 3HD LYS 68 -1.049 11.323 -3.732 600 HE2 LYS 68 2HE LYS 68 -0.220 10.912 -6.048 601 HE3 LYS 68 3HE LYS 68 -1.616 11.791 -6.679 602 HZ1 LYS 68 3HZ LYS 68 -0.834 13.743 -5.402 603 HZ2 LYS 68 1HZ LYS 68 0.264 13.248 -6.588 604 HZ3 LYS 68 2HZ LYS 68 0.548 12.878 -4.965 605 H GLU 69 H GLU 69 -4.296 8.397 -8.517 606 HA GLU 69 HA GLU 69 -6.868 9.371 -9.071 607 HB2 GLU 69 2HB GLU 69 -5.127 7.429 -10.638 608 HB3 GLU 69 3HB GLU 69 -6.695 7.951 -11.233 609 HG2 GLU 69 2HG GLU 69 -5.884 10.306 -11.202 610 HG3 GLU 69 3HG GLU 69 -4.292 9.723 -10.713 611 H LEU 70 H LEU 70 -5.753 6.004 -8.780 612 HA LEU 70 HA LEU 70 -8.226 4.760 -9.320 613 HB2 LEU 70 2HB LEU 70 -5.770 3.664 -7.869 614 HB3 LEU 70 3HB LEU 70 -7.083 2.687 -8.506 615 HG LEU 70 HG LEU 70 -5.173 4.369 -10.184 616 HD11 LEU 70 1HD1 LEU 70 -4.039 2.422 -9.237 617 HD12 LEU 70 2HD1 LEU 70 -4.236 2.241 -10.977 618 HD13 LEU 70 3HD1 LEU 70 -5.291 1.352 -9.874 619 HD21 LEU 70 3HD2 LEU 70 -6.205 3.283 -12.143 620 HD22 LEU 70 1HD2 LEU 70 -7.361 4.263 -11.244 621 HD23 LEU 70 2HD2 LEU 70 -7.389 2.507 -11.088 622 H ALA 71 H ALA 71 -6.595 5.593 -6.260 623 HA ALA 71 HA ALA 71 -8.398 4.560 -4.418 624 HB1 ALA 71 3HB ALA 71 -6.730 7.084 -4.223 625 HB2 ALA 71 1HB ALA 71 -6.196 5.449 -3.838 626 HB3 ALA 71 2HB ALA 71 -7.449 6.218 -2.861 627 H GLN 72 H GLN 72 -8.445 7.760 -6.008 628 HA GLN 72 HA GLN 72 -10.775 8.773 -4.707 629 HB2 GLN 72 2HB GLN 72 -9.426 9.527 -7.329 630 HB3 GLN 72 3HB GLN 72 -10.771 10.429 -6.641 631 HG2 GLN 72 2HG GLN 72 -9.430 11.047 -4.693 632 HG3 GLN 72 3HG GLN 72 -8.096 10.036 -5.260 633 HE21 GLN 72 1HE2 GLN 72 -6.832 10.760 -7.017 634 HE22 GLN 72 2HE2 GLN 72 -6.861 12.397 -7.560 635 H LYS 73 H LYS 73 -10.263 7.045 -7.765 636 HA LYS 73 HA LYS 73 -12.900 7.172 -8.791 637 HB2 LYS 73 2HB LYS 73 -10.664 5.157 -9.279 638 HB3 LYS 73 3HB LYS 73 -12.141 5.225 -10.231 639 HG2 LYS 73 2HG LYS 73 -10.216 7.552 -9.987 640 HG3 LYS 73 3HG LYS 73 -10.102 6.338 -11.254 641 HD2 LYS 73 2HD LYS 73 -12.583 8.036 -10.801 642 HD3 LYS 73 3HD LYS 73 -11.280 8.501 -11.894 643 HE2 LYS 73 2HE LYS 73 -12.910 5.948 -12.128 644 HE3 LYS 73 3HE LYS 73 -13.163 7.406 -13.085 645 HZ1 LYS 73 3HZ LYS 73 -10.991 7.151 -14.046 646 HZ2 LYS 73 1HZ LYS 73 -11.857 5.716 -14.252 647 HZ3 LYS 73 2HZ LYS 73 -10.652 5.815 -13.070 648 H MET 74 H MET 74 -11.279 4.918 -6.631 649 HA MET 74 HA MET 74 -13.589 3.156 -6.368 650 HB2 MET 74 2HB MET 74 -10.850 3.163 -5.034 651 HB3 MET 74 3HB MET 74 -12.103 1.971 -4.700 652 HG2 MET 74 2HG MET 74 -10.844 2.437 -7.403 653 HG3 MET 74 3HG MET 74 -10.426 1.143 -6.280 654 HE1 MET 74 3HE MET 74 -12.215 -1.130 -8.715 655 HE2 MET 74 1HE MET 74 -10.877 -0.909 -7.586 656 HE3 MET 74 2HE MET 74 -11.002 0.114 -9.023 657 H GLU 75 H GLU 75 -12.710 6.089 -5.116 658 HA GLU 75 HA GLU 75 -13.468 7.454 -3.472 659 HB2 GLU 75 2HB GLU 75 -15.711 5.398 -3.297 660 HB3 GLU 75 3HB GLU 75 -15.794 7.051 -2.705 661 HG2 GLU 75 2HG GLU 75 -15.747 7.941 -4.945 662 HG3 GLU 75 3HG GLU 75 -15.373 6.360 -5.627 663 H ILE 76 H ILE 76 -11.606 5.302 -2.626 664 HA ILE 76 HA ILE 76 -12.458 4.640 0.132 665 HB ILE 76 HB ILE 76 -10.033 3.619 -1.430 666 HG12 ILE 76 2HG1 ILE 76 -12.666 2.172 -0.874 667 HG13 ILE 76 3HG1 ILE 76 -12.236 2.901 -2.415 668 HG21 ILE 76 1HG2 ILE 76 -11.203 2.618 1.199 669 HG22 ILE 76 2HG2 ILE 76 -9.684 3.496 1.013 670 HG23 ILE 76 3HG2 ILE 76 -9.856 1.880 0.327 671 HD11 ILE 76 3HD1 ILE 76 -11.917 0.515 -2.485 672 HD12 ILE 76 1HD1 ILE 76 -10.829 0.580 -1.097 673 HD13 ILE 76 2HD1 ILE 76 -10.363 1.329 -2.628 674 H ASP 77 H ASP 77 -11.360 5.372 1.936 675 HA ASP 77 HA ASP 77 -9.657 7.676 1.809 676 HB2 ASP 77 2HB ASP 77 -10.412 5.856 4.136 677 HB3 ASP 77 3HB ASP 77 -9.509 7.355 4.313 678 H VAL 78 H VAL 78 -7.597 7.499 1.137 679 HA VAL 78 HA VAL 78 -5.929 5.179 1.943 680 HB VAL 78 HB VAL 78 -6.019 6.427 -0.850 681 HG11 VAL 78 1HG1 VAL 78 -4.483 4.620 -1.532 682 HG12 VAL 78 2HG1 VAL 78 -4.384 4.063 0.140 683 HG13 VAL 78 3HG1 VAL 78 -3.754 5.651 -0.300 684 HG21 VAL 78 3HG2 VAL 78 -7.006 3.701 0.063 685 HG22 VAL 78 1HG2 VAL 78 -6.937 4.251 -1.613 686 HG23 VAL 78 2HG2 VAL 78 -8.009 5.049 -0.462 687 H ARG 79 H ARG 79 -3.829 5.618 2.455 688 HA ARG 79 HA ARG 79 -2.671 8.321 2.127 689 HB2 ARG 79 2HB ARG 79 -1.744 5.881 3.737 690 HB3 ARG 79 3HB ARG 79 -0.736 7.295 3.467 691 HG2 ARG 79 2HG ARG 79 -1.609 7.429 5.668 692 HG3 ARG 79 3HG ARG 79 -2.415 8.669 4.711 693 HD2 ARG 79 2HD ARG 79 -4.451 7.372 4.623 694 HD3 ARG 79 3HD ARG 79 -3.653 5.961 5.336 695 HE ARG 79 HE ARG 79 -3.247 7.610 7.287 696 HH11 ARG 79 1HH1 ARG 79 -6.208 7.487 5.393 697 HH12 ARG 79 2HH1 ARG 79 -7.195 8.067 6.693 698 HH21 ARG 79 1HH2 ARG 79 -4.509 8.347 8.947 699 HH22 ARG 79 2HH2 ARG 79 -6.222 8.563 8.732 700 H THR 80 H THR 80 -1.436 8.511 0.293 701 HA THR 80 HA THR 80 -0.281 6.070 -0.931 702 HB THR 80 HB THR 80 -0.865 8.680 -2.406 703 HG1 THR 80 HG1 THR 80 -2.578 6.560 -1.716 704 HG21 THR 80 3HG2 THR 80 -0.516 5.822 -3.403 705 HG22 THR 80 1HG2 THR 80 0.707 7.090 -3.513 706 HG23 THR 80 2HG2 THR 80 -0.805 7.245 -4.406 707 H ARG 81 H ARG 81 1.780 5.959 -0.312 708 HA ARG 81 HA ARG 81 3.466 8.384 -0.059 709 HB2 ARG 81 2HB ARG 81 3.608 5.761 1.504 710 HB3 ARG 81 3HB ARG 81 4.800 7.043 1.619 711 HG2 ARG 81 2HG ARG 81 1.887 7.312 2.409 712 HG3 ARG 81 3HG ARG 81 3.210 6.988 3.526 713 HD2 ARG 81 2HD ARG 81 2.762 9.318 3.694 714 HD3 ARG 81 3HD ARG 81 4.247 9.188 2.745 715 HE ARG 81 HE ARG 81 1.811 9.336 1.191 716 HH11 ARG 81 1HH1 ARG 81 4.330 11.282 2.700 717 HH12 ARG 81 2HH1 ARG 81 4.064 12.640 1.658 718 HH21 ARG 81 1HH2 ARG 81 1.524 11.096 -0.205 719 HH22 ARG 81 2HH2 ARG 81 2.475 12.533 0.016 720 H LYS 82 H LYS 82 5.470 8.337 -1.063 721 HA LYS 82 HA LYS 82 5.974 6.109 -2.922 722 HB2 LYS 82 2HB LYS 82 5.843 8.427 -3.850 723 HB3 LYS 82 3HB LYS 82 7.223 8.891 -2.858 724 HG2 LYS 82 2HG LYS 82 8.525 7.015 -4.058 725 HG3 LYS 82 3HG LYS 82 7.165 6.938 -5.180 726 HD2 LYS 82 2HD LYS 82 8.947 8.331 -6.112 727 HD3 LYS 82 3HD LYS 82 7.535 9.332 -5.763 728 HE2 LYS 82 2HE LYS 82 8.581 10.140 -3.702 729 HE3 LYS 82 3HE LYS 82 9.957 9.058 -3.947 730 HZ1 LYS 82 3HZ LYS 82 10.617 10.274 -5.850 731 HZ2 LYS 82 1HZ LYS 82 10.346 11.398 -4.623 732 HZ3 LYS 82 2HZ LYS 82 9.208 11.205 -5.855 733 H VAL 83 H VAL 83 7.416 4.626 -2.331 734 HA VAL 83 HA VAL 83 9.753 5.376 -0.665 735 HB VAL 83 HB VAL 83 9.771 3.135 0.283 736 HG11 VAL 83 1HG1 VAL 83 7.666 3.186 1.578 737 HG12 VAL 83 2HG1 VAL 83 6.981 4.337 0.431 738 HG13 VAL 83 3HG1 VAL 83 8.376 4.792 1.416 739 HG21 VAL 83 3HG2 VAL 83 7.338 2.488 -1.437 740 HG22 VAL 83 1HG2 VAL 83 8.012 1.444 -0.181 741 HG23 VAL 83 2HG2 VAL 83 8.955 1.808 -1.624 742 H THR 84 H THR 84 11.698 5.024 -1.554 743 HA THR 84 HA THR 84 12.037 3.058 -3.740 744 HB THR 84 HB THR 84 13.947 4.595 -4.535 745 HG1 THR 84 HG1 THR 84 12.830 6.874 -3.579 746 HG21 THR 84 3HG2 THR 84 11.818 4.470 -5.796 747 HG22 THR 84 1HG2 THR 84 12.464 6.111 -5.810 748 HG23 THR 84 2HG2 THR 84 11.115 5.706 -4.748 749 H SER 85 H SER 85 12.498 3.430 -0.600 750 HA SER 85 HA SER 85 14.945 1.795 -0.522 751 HB2 SER 85 2HB SER 85 14.360 4.063 1.441 752 HB3 SER 85 3HB SER 85 15.803 3.048 1.398 753 HG SER 85 HG SER 85 14.984 5.051 -0.415 754 HA PRO 86 HA PRO 86 12.335 -0.959 1.907 755 HB2 PRO 86 2HB PRO 86 14.279 -1.923 3.724 756 HB3 PRO 86 3HB PRO 86 13.967 -2.566 2.100 757 HG2 PRO 86 2HG PRO 86 16.064 -0.615 2.968 758 HG3 PRO 86 3HG PRO 86 16.186 -1.969 1.821 759 HD2 PRO 86 2HD PRO 86 15.994 0.536 0.926 760 HD3 PRO 86 3HD PRO 86 15.122 -0.775 0.096 761 H ASP 87 H ASP 87 14.565 1.095 3.839 762 HA ASP 87 HA ASP 87 13.194 0.834 6.302 763 HB2 ASP 87 2HB ASP 87 15.096 3.009 5.343 764 HB3 ASP 87 3HB ASP 87 14.463 2.950 6.985 765 H GLU 88 H GLU 88 12.628 2.981 3.595 766 HA GLU 88 HA GLU 88 10.864 4.823 4.883 767 HB2 GLU 88 2HB GLU 88 11.022 4.041 1.937 768 HB3 GLU 88 3HB GLU 88 10.183 5.449 2.579 769 HG2 GLU 88 2HG GLU 88 12.373 6.340 3.388 770 HG3 GLU 88 3HG GLU 88 13.176 4.961 2.635 771 H ALA 89 H ALA 89 10.350 1.874 2.933 772 HA ALA 89 HA ALA 89 7.523 1.896 2.918 773 HB1 ALA 89 3HB ALA 89 9.397 -0.487 2.654 774 HB2 ALA 89 1HB ALA 89 8.852 0.556 1.340 775 HB3 ALA 89 2HB ALA 89 7.690 -0.456 2.197 776 H LYS 90 H LYS 90 9.872 0.325 5.048 777 HA LYS 90 HA LYS 90 8.153 -1.102 6.733 778 HB2 LYS 90 2HB LYS 90 10.889 0.126 7.287 779 HB3 LYS 90 3HB LYS 90 10.114 -1.101 8.285 780 HG2 LYS 90 2HG LYS 90 10.245 -2.731 6.469 781 HG3 LYS 90 3HG LYS 90 10.886 -1.500 5.380 782 HD2 LYS 90 2HD LYS 90 12.764 -2.811 6.097 783 HD3 LYS 90 3HD LYS 90 12.876 -1.276 6.951 784 HE2 LYS 90 2HE LYS 90 11.965 -2.311 8.976 785 HE3 LYS 90 3HE LYS 90 11.749 -3.841 8.119 786 HZ1 LYS 90 3HZ LYS 90 14.144 -3.949 7.791 787 HZ2 LYS 90 1HZ LYS 90 13.761 -3.866 9.437 788 HZ3 LYS 90 2HZ LYS 90 14.351 -2.499 8.634 789 H ARG 91 H ARG 91 9.495 2.199 6.943 790 HA ARG 91 HA ARG 91 8.603 2.802 9.521 791 HB2 ARG 91 2HB ARG 91 10.321 4.184 8.380 792 HB3 ARG 91 3HB ARG 91 9.095 4.798 7.270 793 HG2 ARG 91 2HG ARG 91 7.836 5.682 9.281 794 HG3 ARG 91 3HG ARG 91 9.207 5.215 10.277 795 HD2 ARG 91 2HD ARG 91 10.631 6.841 9.174 796 HD3 ARG 91 3HD ARG 91 9.360 7.207 7.993 797 HE ARG 91 HE ARG 91 8.674 7.586 10.803 798 HH11 ARG 91 1HH1 ARG 91 9.724 9.197 7.845 799 HH12 ARG 91 2HH1 ARG 91 9.233 10.766 8.391 800 HH21 ARG 91 1HH2 ARG 91 8.015 9.613 11.499 801 HH22 ARG 91 2HH2 ARG 91 8.250 11.006 10.491 802 H TRP 92 H TRP 92 7.071 3.670 6.331 803 HA TRP 92 HA TRP 92 4.915 5.014 7.468 804 HB2 TRP 92 2HB TRP 92 4.944 3.588 4.775 805 HB3 TRP 92 3HB TRP 92 3.817 4.851 5.271 806 HD1 TRP 92 HD1 TRP 92 6.504 4.631 3.031 807 HE1 TRP 92 HE1 TRP 92 7.909 6.769 2.839 808 HE3 TRP 92 HE3 TRP 92 4.905 7.026 7.232 809 HZ2 TRP 92 HZ2 TRP 92 8.294 9.148 4.255 810 HZ3 TRP 92 HZ3 TRP 92 5.841 9.247 7.755 811 HH2 TRP 92 HH2 TRP 92 7.502 10.287 6.288 812 H ILE 93 H ILE 93 5.341 1.558 7.057 813 HA ILE 93 HA ILE 93 2.604 0.798 7.479 814 HB ILE 93 HB ILE 93 5.210 -0.749 7.851 815 HG12 ILE 93 2HG1 ILE 93 3.131 -0.916 5.617 816 HG13 ILE 93 3HG1 ILE 93 4.633 -0.009 5.510 817 HG21 ILE 93 1HG2 ILE 93 3.494 -1.775 9.286 818 HG22 ILE 93 2HG2 ILE 93 3.865 -2.825 7.920 819 HG23 ILE 93 3HG2 ILE 93 2.381 -1.868 7.918 820 HD11 ILE 93 3HD1 ILE 93 5.904 -2.080 5.753 821 HD12 ILE 93 1HD1 ILE 93 4.820 -2.113 4.361 822 HD13 ILE 93 2HD1 ILE 93 4.390 -2.994 5.827 823 H LYS 94 H LYS 94 5.473 1.131 9.612 824 HA LYS 94 HA LYS 94 4.284 0.671 12.104 825 HB2 LYS 94 2HB LYS 94 6.660 0.867 12.018 826 HB3 LYS 94 3HB LYS 94 6.594 2.433 11.225 827 HG2 LYS 94 2HG LYS 94 5.721 3.430 13.337 828 HG3 LYS 94 3HG LYS 94 5.890 1.855 14.120 829 HD2 LYS 94 2HD LYS 94 8.288 1.907 13.910 830 HD3 LYS 94 3HD LYS 94 8.230 3.284 12.805 831 HE2 LYS 94 2HE LYS 94 7.429 3.364 15.737 832 HE3 LYS 94 3HE LYS 94 8.955 3.944 15.070 833 HZ1 LYS 94 3HZ LYS 94 7.321 5.730 15.417 834 HZ2 LYS 94 1HZ LYS 94 6.281 4.994 14.307 835 HZ3 LYS 94 2HZ LYS 94 7.773 5.589 13.793 836 H GLU 95 H GLU 95 4.490 3.741 10.244 837 HA GLU 95 HA GLU 95 3.293 5.416 12.192 838 HB2 GLU 95 2HB GLU 95 3.222 5.896 9.178 839 HB3 GLU 95 3HB GLU 95 3.143 7.101 10.450 840 HG2 GLU 95 2HG GLU 95 5.561 5.445 9.711 841 HG3 GLU 95 3HG GLU 95 5.297 7.129 9.297 842 H PHE 96 H PHE 96 2.032 3.502 9.530 843 HA PHE 96 HA PHE 96 -0.641 4.532 9.502 844 HB2 PHE 96 2HB PHE 96 0.458 3.552 7.519 845 HB3 PHE 96 3HB PHE 96 0.551 1.989 8.316 846 HD1 PHE 96 HD1 PHE 96 -2.018 4.572 7.345 847 HD2 PHE 96 HD2 PHE 96 -1.081 0.413 7.743 848 HE1 PHE 96 HE1 PHE 96 -4.187 3.973 6.345 849 HE2 PHE 96 HE2 PHE 96 -3.249 -0.169 6.750 850 HZ PHE 96 HZ PHE 96 -4.793 1.605 6.057 851 H SER 97 H SER 97 0.967 1.846 11.087 852 HA SER 97 HA SER 97 -1.348 0.574 12.167 853 HB2 SER 97 2HB SER 97 0.878 -0.533 11.989 854 HB3 SER 97 3HB SER 97 1.518 0.567 13.210 855 HG SER 97 HG SER 97 -0.604 -1.295 13.565 856 H GLU 98 H GLU 98 0.741 3.232 13.188 857 HA GLU 98 HA GLU 98 -0.570 3.755 15.703 858 HB2 GLU 98 2HB GLU 98 1.224 5.532 14.000 859 HB3 GLU 98 3HB GLU 98 0.744 5.868 15.663 860 HG2 GLU 98 2HG GLU 98 1.949 3.862 16.436 861 HG3 GLU 98 3HG GLU 98 2.391 3.478 14.773 862 H GLU 99 H GLU 99 -1.105 4.657 12.376 863 HA GLU 99 HA GLU 99 -3.150 6.628 12.931 864 HB2 GLU 99 2HB GLU 99 -2.390 5.215 10.338 865 HB3 GLU 99 3HB GLU 99 -3.649 6.440 10.461 866 HG2 GLU 99 2HG GLU 99 -1.863 8.023 11.362 867 HG3 GLU 99 3HG GLU 99 -0.679 6.803 10.905 868 H GLY 100 H GLY 100 -3.106 3.370 13.428 869 HA2 GLY 100 2HA GLY 100 -5.478 2.251 12.670 870 HA3 GLY 100 3HA GLY 100 -4.777 2.032 14.268 871 H GLY 101 H GLY 101 -5.188 4.014 15.796 872 HA2 GLY 101 2HA GLY 101 -8.035 4.524 15.931 873 HA3 GLY 101 3HA GLY 101 -6.810 5.116 17.038 874 H SER 102 H SER 102 -5.225 6.149 14.788 875 HA SER 102 HA SER 102 -4.729 7.971 13.663 876 HB2 SER 102 2HB SER 102 -6.405 8.948 12.103 877 HB3 SER 102 3HB SER 102 -6.300 7.197 12.014 878 HG SER 102 HG SER 102 -8.255 8.565 13.533 879 H LEU 103 H LEU 103 -4.038 9.767 14.553 880 HA LEU 103 HA LEU 103 -5.396 11.299 16.518 881 HB2 LEU 103 2HB LEU 103 -3.075 12.118 14.729 882 HB3 LEU 103 3HB LEU 103 -3.585 12.966 16.181 883 HG LEU 103 HG LEU 103 -2.377 10.172 16.060 884 HD11 LEU 103 1HD1 LEU 103 -0.721 11.921 15.712 885 HD12 LEU 103 2HD1 LEU 103 -0.485 11.165 17.282 886 HD13 LEU 103 3HD1 LEU 103 -1.241 12.757 17.179 887 HD21 LEU 103 3HD2 LEU 103 -4.039 10.214 17.840 888 HD22 LEU 103 1HD2 LEU 103 -3.341 11.693 18.506 889 HD23 LEU 103 2HD2 LEU 103 -2.420 10.187 18.530 890 H GLU 104 H GLU 104 -5.314 11.453 13.020 891 HA GLU 104 HA GLU 104 -7.122 13.784 12.960 892 HB2 GLU 104 2HB GLU 104 -6.763 13.733 10.486 893 HB3 GLU 104 3HB GLU 104 -5.290 13.984 11.411 894 HG2 GLU 104 2HG GLU 104 -4.690 12.544 9.649 895 HG3 GLU 104 3HG GLU 104 -4.786 11.512 11.068 896 H HIS 105 H HIS 105 -8.893 13.529 11.180 897 HA HIS 105 HA HIS 105 -10.033 10.883 10.849 898 HB2 HIS 105 2HB HIS 105 -11.281 12.947 12.692 899 HB3 HIS 105 3HB HIS 105 -12.353 11.943 11.722 900 HD1 HIS 105 HD1 HIS 105 -12.204 9.316 12.162 901 HD2 HIS 105 HD2 HIS 105 -10.296 11.696 14.992 902 HE1 HIS 105 HE1 HIS 105 -11.750 7.808 14.115 903 HE2 HIS 105 HE2 HIS 105 -10.589 9.254 15.806 904 H HIS 106 H HIS 106 -8.887 12.459 8.992 905 HA HIS 106 HA HIS 106 -10.668 14.201 7.606 906 HB2 HIS 106 2HB HIS 106 -8.250 12.673 6.566 907 HB3 HIS 106 3HB HIS 106 -9.091 13.939 5.677 908 HD1 HIS 106 HD1 HIS 106 -6.174 13.515 7.605 909 HD2 HIS 106 HD2 HIS 106 -9.093 16.465 7.447 910 HE1 HIS 106 HE1 HIS 106 -5.111 15.569 8.579 911 HE2 HIS 106 HE2 HIS 106 -6.865 17.353 8.402 912 H HIS 107 H HIS 107 -12.629 13.319 7.219 913 HA HIS 107 HA HIS 107 -12.788 11.078 5.289 914 HB2 HIS 107 2HB HIS 107 -14.455 11.457 7.811 915 HB3 HIS 107 3HB HIS 107 -14.956 10.401 6.486 916 HD1 HIS 107 HD1 HIS 107 -12.950 8.572 5.818 917 HD2 HIS 107 HD2 HIS 107 -12.951 10.114 9.679 918 HE1 HIS 107 HE1 HIS 107 -11.573 6.978 7.180 919 HE2 HIS 107 HE2 HIS 107 -11.436 8.034 9.449 920 H HIS 108 H HIS 108 -12.777 13.982 4.919 921 HA HIS 108 HA HIS 108 -15.346 14.223 3.475 922 HB2 HIS 108 2HB HIS 108 -14.421 16.173 4.883 923 HB3 HIS 108 3HB HIS 108 -13.142 16.331 3.686 924 HD1 HIS 108 HD1 HIS 108 -13.785 17.389 1.410 925 HD2 HIS 108 HD2 HIS 108 -16.982 17.064 4.048 926 HE1 HIS 108 HE1 HIS 108 -15.612 18.817 0.439 927 HE2 HIS 108 HE2 HIS 108 -17.580 18.469 1.963 928 H HIS 109 H HIS 109 -13.360 12.235 2.867 929 HA HIS 109 HA HIS 109 -11.764 12.869 0.616 930 HB2 HIS 109 2HB HIS 109 -11.352 10.856 2.005 931 HB3 HIS 109 3HB HIS 109 -12.899 10.173 1.517 932 HD1 HIS 109 HD1 HIS 109 -13.074 9.508 -1.095 933 HD2 HIS 109 HD2 HIS 109 -9.234 10.260 0.306 934 HE1 HIS 109 HE1 HIS 109 -11.535 8.558 -2.826 935 HE2 HIS 109 HE2 HIS 109 -9.239 8.813 -1.836 936 H HIS 110 H HIS 110 -12.391 13.247 -1.392 937 HA HIS 110 HA HIS 110 -15.088 12.473 -2.339 938 HB2 HIS 110 2HB HIS 110 -14.742 14.907 -2.165 939 HB3 HIS 110 3HB HIS 110 -13.279 14.803 -3.133 940 HD1 HIS 110 HD1 HIS 110 -13.576 15.351 -5.517 941 HD2 HIS 110 HD2 HIS 110 -17.152 14.115 -3.794 942 HE1 HIS 110 HE1 HIS 110 -15.328 15.700 -7.278 943 HE2 HIS 110 HE2 HIS 110 -17.437 14.770 -6.285 Start of MODEL 6 1 H1 MET 1 1H MET 1 -12.578 -0.731 12.495 2 H2 MET 1 2H MET 1 -12.668 0.884 12.973 3 H3 MET 1 3H MET 1 -11.269 -0.010 13.287 4 HA MET 1 HA MET 1 -12.320 0.747 10.631 5 HB2 MET 1 2HB MET 1 -11.355 2.651 11.838 6 HB3 MET 1 3HB MET 1 -9.900 1.740 12.203 7 HG2 MET 1 2HG MET 1 -9.216 1.792 9.894 8 HG3 MET 1 3HG MET 1 -10.758 2.479 9.398 9 HE1 MET 1 3HE MET 1 -10.550 6.108 10.924 10 HE2 MET 1 1HE MET 1 -11.297 4.697 11.674 11 HE3 MET 1 2HE MET 1 -11.522 5.004 9.949 12 H LEU 2 H LEU 2 -11.641 -0.454 8.983 13 HA LEU 2 HA LEU 2 -9.916 -2.755 9.353 14 HB2 LEU 2 2HB LEU 2 -11.169 -1.643 6.802 15 HB3 LEU 2 3HB LEU 2 -10.472 -3.242 6.998 16 HG LEU 2 HG LEU 2 -12.992 -2.259 8.398 17 HD11 LEU 2 1HD1 LEU 2 -13.359 -2.450 5.991 18 HD12 LEU 2 2HD1 LEU 2 -14.230 -3.715 6.853 19 HD13 LEU 2 3HD1 LEU 2 -12.734 -4.105 5.999 20 HD21 LEU 2 3HD2 LEU 2 -13.345 -4.611 9.023 21 HD22 LEU 2 1HD2 LEU 2 -11.850 -3.981 9.710 22 HD23 LEU 2 2HD2 LEU 2 -11.792 -5.050 8.306 23 H LEU 3 H LEU 3 -7.679 -2.672 9.038 24 HA LEU 3 HA LEU 3 -6.545 -0.359 7.554 25 HB2 LEU 3 2HB LEU 3 -5.425 -1.793 10.007 26 HB3 LEU 3 3HB LEU 3 -4.589 -0.528 9.119 27 HG LEU 3 HG LEU 3 -7.193 -0.175 10.657 28 HD11 LEU 3 1HD1 LEU 3 -5.286 -0.511 12.160 29 HD12 LEU 3 2HD1 LEU 3 -5.883 1.143 12.257 30 HD13 LEU 3 3HD1 LEU 3 -4.401 0.792 11.359 31 HD21 LEU 3 3HD2 LEU 3 -6.910 2.237 10.252 32 HD22 LEU 3 1HD2 LEU 3 -7.113 1.340 8.748 33 HD23 LEU 3 2HD2 LEU 3 -5.510 1.906 9.227 34 H TYR 4 H TYR 4 -5.705 -1.025 5.687 35 HA TYR 4 HA TYR 4 -4.263 -3.600 5.488 36 HB2 TYR 4 2HB TYR 4 -6.102 -2.316 3.415 37 HB3 TYR 4 3HB TYR 4 -5.048 -3.687 3.081 38 HD1 TYR 4 HD1 TYR 4 -5.569 -5.930 4.000 39 HD2 TYR 4 HD2 TYR 4 -8.149 -2.606 4.749 40 HE1 TYR 4 HE1 TYR 4 -7.333 -7.468 4.755 41 HE2 TYR 4 HE2 TYR 4 -9.910 -4.147 5.502 42 HH TYR 4 HH TYR 4 -10.565 -6.467 5.215 43 H VAL 5 H VAL 5 -2.753 -3.660 3.692 44 HA VAL 5 HA VAL 5 -1.509 -1.091 2.923 45 HB VAL 5 HB VAL 5 -0.050 -3.570 4.019 46 HG11 VAL 5 1HG1 VAL 5 1.140 -0.971 2.998 47 HG12 VAL 5 2HG1 VAL 5 1.251 -2.551 2.220 48 HG13 VAL 5 3HG1 VAL 5 2.031 -2.283 3.777 49 HG21 VAL 5 3HG2 VAL 5 -1.055 -2.219 5.821 50 HG22 VAL 5 1HG2 VAL 5 -0.236 -0.772 5.223 51 HG23 VAL 5 2HG2 VAL 5 0.704 -2.122 5.870 52 H LEU 6 H LEU 6 -1.201 -1.031 0.723 53 HA LEU 6 HA LEU 6 -0.795 -3.556 -0.797 54 HB2 LEU 6 2HB LEU 6 -1.894 -0.905 -1.853 55 HB3 LEU 6 3HB LEU 6 -1.651 -2.365 -2.800 56 HG LEU 6 HG LEU 6 -3.708 -1.916 -0.615 57 HD11 LEU 6 1HD1 LEU 6 -4.086 -2.398 -3.586 58 HD12 LEU 6 2HD1 LEU 6 -4.309 -0.865 -2.740 59 HD13 LEU 6 3HD1 LEU 6 -5.376 -2.223 -2.390 60 HD21 LEU 6 3HD2 LEU 6 -3.176 -4.468 -2.136 61 HD22 LEU 6 1HD2 LEU 6 -4.562 -4.166 -1.084 62 HD23 LEU 6 2HD2 LEU 6 -2.936 -4.192 -0.409 63 H ILE 7 H ILE 7 1.297 -3.731 -1.555 64 HA ILE 7 HA ILE 7 2.935 -1.260 -1.685 65 HB ILE 7 HB ILE 7 3.810 -2.805 -0.025 66 HG12 ILE 7 2HG1 ILE 7 5.528 -2.769 -2.555 67 HG13 ILE 7 3HG1 ILE 7 5.451 -1.510 -1.324 68 HG21 ILE 7 1HG2 ILE 7 3.996 -4.932 -2.179 69 HG22 ILE 7 2HG2 ILE 7 2.856 -4.918 -0.834 70 HG23 ILE 7 3HG2 ILE 7 4.584 -5.080 -0.519 71 HD11 ILE 7 3HD1 ILE 7 6.471 -2.975 0.288 72 HD12 ILE 7 1HD1 ILE 7 7.452 -2.889 -1.167 73 HD13 ILE 7 2HD1 ILE 7 6.461 -4.308 -0.867 74 H ILE 8 H ILE 8 3.221 -0.532 -3.731 75 HA ILE 8 HA ILE 8 3.248 -2.392 -6.003 76 HB ILE 8 HB ILE 8 3.526 0.656 -6.104 77 HG12 ILE 8 2HG1 ILE 8 0.976 -1.035 -6.193 78 HG13 ILE 8 3HG1 ILE 8 1.419 0.128 -4.953 79 HG21 ILE 8 1HG2 ILE 8 2.685 -1.358 -8.231 80 HG22 ILE 8 2HG2 ILE 8 4.246 -0.538 -8.144 81 HG23 ILE 8 3HG2 ILE 8 2.780 0.393 -8.445 82 HD11 ILE 8 3HD1 ILE 8 -0.255 1.042 -6.353 83 HD12 ILE 8 1HD1 ILE 8 0.694 0.720 -7.803 84 HD13 ILE 8 2HD1 ILE 8 1.248 1.917 -6.628 85 H SER 9 H SER 9 5.157 -3.422 -6.022 86 HA SER 9 HA SER 9 7.561 -2.002 -6.799 87 HB2 SER 9 2HB SER 9 7.522 -3.709 -4.255 88 HB3 SER 9 3HB SER 9 8.987 -3.133 -5.049 89 HG SER 9 HG SER 9 8.704 -1.275 -4.178 90 H ASN 10 H ASN 10 8.900 -3.308 -8.018 91 HA ASN 10 HA ASN 10 8.138 -6.139 -8.461 92 HB2 ASN 10 2HB ASN 10 9.878 -4.273 -10.139 93 HB3 ASN 10 3HB ASN 10 9.568 -5.967 -10.519 94 HD21 ASN 10 1HD2 ASN 10 7.466 -6.575 -11.218 95 HD22 ASN 10 2HD2 ASN 10 6.339 -5.414 -11.817 96 H ASP 11 H ASP 11 10.426 -4.167 -6.889 97 HA ASP 11 HA ASP 11 12.670 -6.005 -7.107 98 HB2 ASP 11 2HB ASP 11 13.949 -4.333 -5.791 99 HB3 ASP 11 3HB ASP 11 13.240 -3.661 -7.243 100 H LYS 12 H LYS 12 12.740 -7.722 -5.964 101 HA LYS 12 HA LYS 12 10.816 -8.519 -4.154 102 HB2 LYS 12 2HB LYS 12 13.579 -9.749 -4.529 103 HB3 LYS 12 3HB LYS 12 12.224 -10.533 -3.723 104 HG2 LYS 12 2HG LYS 12 12.377 -9.764 -6.652 105 HG3 LYS 12 3HG LYS 12 12.493 -11.394 -5.980 106 HD2 LYS 12 2HD LYS 12 10.139 -11.122 -5.102 107 HD3 LYS 12 3HD LYS 12 10.049 -9.575 -5.951 108 HE2 LYS 12 2HE LYS 12 8.983 -11.307 -7.281 109 HE3 LYS 12 3HE LYS 12 10.448 -10.774 -8.103 110 HZ1 LYS 12 3HZ LYS 12 10.252 -13.207 -6.406 111 HZ2 LYS 12 1HZ LYS 12 11.592 -12.722 -7.314 112 HZ3 LYS 12 2HZ LYS 12 10.173 -13.203 -8.091 113 H LYS 13 H LYS 13 13.994 -7.132 -3.412 114 HA LYS 13 HA LYS 13 14.137 -7.993 -0.707 115 HB2 LYS 13 2HB LYS 13 15.502 -5.575 -1.969 116 HB3 LYS 13 3HB LYS 13 15.960 -6.345 -0.455 117 HG2 LYS 13 2HG LYS 13 16.159 -7.565 -3.230 118 HG3 LYS 13 3HG LYS 13 17.496 -6.957 -2.254 119 HD2 LYS 13 2HD LYS 13 15.729 -9.333 -1.549 120 HD3 LYS 13 3HD LYS 13 17.358 -9.430 -2.219 121 HE2 LYS 13 2HE LYS 13 16.610 -8.251 0.480 122 HE3 LYS 13 3HE LYS 13 17.379 -9.814 0.210 123 HZ1 LYS 13 3HZ LYS 13 18.983 -8.146 0.855 124 HZ2 LYS 13 1HZ LYS 13 18.553 -7.167 -0.452 125 HZ3 LYS 13 2HZ LYS 13 19.290 -8.659 -0.726 126 H LEU 14 H LEU 14 13.046 -4.917 -2.202 127 HA LEU 14 HA LEU 14 12.357 -3.599 0.222 128 HB2 LEU 14 2HB LEU 14 12.782 -2.485 -1.999 129 HB3 LEU 14 3HB LEU 14 11.241 -3.081 -2.569 130 HG LEU 14 HG LEU 14 11.193 -1.368 -0.074 131 HD11 LEU 14 1HD1 LEU 14 11.206 0.718 -1.317 132 HD12 LEU 14 2HD1 LEU 14 11.527 -0.150 -2.821 133 HD13 LEU 14 3HD1 LEU 14 12.736 -0.131 -1.536 134 HD21 LEU 14 3HD2 LEU 14 9.088 -2.257 -0.920 135 HD22 LEU 14 1HD2 LEU 14 9.368 -1.505 -2.494 136 HD23 LEU 14 2HD2 LEU 14 9.109 -0.503 -1.058 137 H ILE 15 H ILE 15 10.503 -5.603 -2.055 138 HA ILE 15 HA ILE 15 7.916 -5.367 -1.003 139 HB ILE 15 HB ILE 15 9.183 -7.848 -2.259 140 HG12 ILE 15 2HG1 ILE 15 7.538 -5.646 -3.610 141 HG13 ILE 15 3HG1 ILE 15 9.282 -5.822 -3.739 142 HG21 ILE 15 1HG2 ILE 15 6.872 -8.543 -2.820 143 HG22 ILE 15 2HG2 ILE 15 6.245 -7.152 -1.930 144 HG23 ILE 15 3HG2 ILE 15 7.119 -8.424 -1.076 145 HD11 ILE 15 3HD1 ILE 15 7.218 -7.772 -4.765 146 HD12 ILE 15 1HD1 ILE 15 8.969 -7.986 -4.864 147 HD13 ILE 15 2HD1 ILE 15 8.193 -6.657 -5.723 148 H GLU 16 H GLU 16 10.487 -7.637 -0.175 149 HA GLU 16 HA GLU 16 9.060 -9.086 1.820 150 HB2 GLU 16 2HB GLU 16 12.033 -8.897 1.219 151 HB3 GLU 16 3HB GLU 16 11.344 -10.009 2.403 152 HG2 GLU 16 2HG GLU 16 10.683 -9.973 -0.560 153 HG3 GLU 16 3HG GLU 16 11.809 -11.083 0.219 154 H GLU 17 H GLU 17 11.462 -6.463 2.026 155 HA GLU 17 HA GLU 17 11.780 -6.287 4.785 156 HB2 GLU 17 2HB GLU 17 11.934 -4.235 2.564 157 HB3 GLU 17 3HB GLU 17 12.220 -3.762 4.232 158 HG2 GLU 17 2HG GLU 17 13.782 -5.932 2.806 159 HG3 GLU 17 3HG GLU 17 14.281 -4.245 2.877 160 H ALA 18 H ALA 18 9.435 -4.571 2.723 161 HA ALA 18 HA ALA 18 8.078 -3.166 4.783 162 HB1 ALA 18 3HB ALA 18 6.400 -2.698 3.036 163 HB2 ALA 18 1HB ALA 18 7.130 -3.929 1.998 164 HB3 ALA 18 2HB ALA 18 8.041 -2.482 2.426 165 H ARG 19 H ARG 19 7.497 -6.313 3.208 166 HA ARG 19 HA ARG 19 4.997 -6.913 4.376 167 HB2 ARG 19 2HB ARG 19 5.829 -8.191 2.449 168 HB3 ARG 19 3HB ARG 19 7.160 -8.834 3.407 169 HG2 ARG 19 2HG ARG 19 5.479 -9.980 4.883 170 HG3 ARG 19 3HG ARG 19 4.198 -9.408 3.809 171 HD2 ARG 19 2HD ARG 19 4.806 -11.743 3.326 172 HD3 ARG 19 3HD ARG 19 5.165 -10.702 1.950 173 HE ARG 19 HE ARG 19 7.376 -11.246 2.156 174 HH11 ARG 19 1HH1 ARG 19 5.825 -12.129 5.211 175 HH12 ARG 19 2HH1 ARG 19 7.240 -12.915 5.821 176 HH21 ARG 19 1HH2 ARG 19 9.214 -12.267 3.004 177 HH22 ARG 19 2HH2 ARG 19 9.150 -12.997 4.581 178 H LYS 20 H LYS 20 8.311 -7.597 5.489 179 HA LYS 20 HA LYS 20 7.644 -9.212 7.718 180 HB2 LYS 20 2HB LYS 20 10.108 -7.471 7.285 181 HB3 LYS 20 3HB LYS 20 9.952 -8.674 8.557 182 HG2 LYS 20 2HG LYS 20 10.186 -9.137 5.573 183 HG3 LYS 20 3HG LYS 20 11.328 -9.597 6.831 184 HD2 LYS 20 2HD LYS 20 8.575 -10.802 6.352 185 HD3 LYS 20 3HD LYS 20 10.127 -11.555 5.989 186 HE2 LYS 20 2HE LYS 20 9.092 -10.863 8.756 187 HE3 LYS 20 3HE LYS 20 9.136 -12.472 8.047 188 HZ1 LYS 20 3HZ LYS 20 10.958 -12.049 9.596 189 HZ2 LYS 20 1HZ LYS 20 11.525 -10.803 8.611 190 HZ3 LYS 20 2HZ LYS 20 11.525 -12.394 8.046 191 H MET 21 H MET 21 8.034 -5.749 7.252 192 HA MET 21 HA MET 21 7.820 -4.952 9.969 193 HB2 MET 21 2HB MET 21 8.762 -3.513 8.179 194 HB3 MET 21 3HB MET 21 7.177 -3.395 7.431 195 HG2 MET 21 2HG MET 21 7.477 -1.380 8.597 196 HG3 MET 21 3HG MET 21 6.391 -2.315 9.610 197 HE1 MET 21 3HE MET 21 6.827 -2.829 12.077 198 HE2 MET 21 1HE MET 21 8.428 -2.945 12.816 199 HE3 MET 21 2HE MET 21 7.944 -4.099 11.577 200 H ALA 22 H ALA 22 5.450 -5.359 7.350 201 HA ALA 22 HA ALA 22 3.181 -4.327 8.652 202 HB1 ALA 22 3HB ALA 22 3.287 -4.694 6.231 203 HB2 ALA 22 1HB ALA 22 1.876 -5.494 6.925 204 HB3 ALA 22 2HB ALA 22 3.300 -6.440 6.478 205 H GLU 23 H GLU 23 4.608 -7.556 8.657 206 HA GLU 23 HA GLU 23 2.511 -8.941 9.986 207 HB2 GLU 23 2HB GLU 23 5.479 -9.583 9.763 208 HB3 GLU 23 3HB GLU 23 4.251 -10.711 10.342 209 HG2 GLU 23 2HG GLU 23 3.145 -10.700 8.168 210 HG3 GLU 23 3HG GLU 23 4.249 -9.465 7.565 211 H LYS 24 H LYS 24 5.340 -7.172 11.153 212 HA LYS 24 HA LYS 24 4.960 -7.749 13.950 213 HB2 LYS 24 2HB LYS 24 6.503 -5.530 12.540 214 HB3 LYS 24 3HB LYS 24 6.529 -5.789 14.284 215 HG2 LYS 24 2HG LYS 24 7.494 -8.079 13.870 216 HG3 LYS 24 3HG LYS 24 7.589 -7.676 12.149 217 HD2 LYS 24 2HD LYS 24 9.121 -5.840 12.607 218 HD3 LYS 24 3HD LYS 24 8.921 -6.052 14.348 219 HE2 LYS 24 2HE LYS 24 9.953 -8.330 14.129 220 HE3 LYS 24 3HE LYS 24 10.267 -7.972 12.426 221 HZ1 LYS 24 3HZ LYS 24 11.271 -6.330 14.689 222 HZ2 LYS 24 1HZ LYS 24 11.667 -6.150 13.057 223 HZ3 LYS 24 2HZ LYS 24 12.176 -7.521 13.903 224 H ALA 25 H ALA 25 4.091 -5.062 11.796 225 HA ALA 25 HA ALA 25 2.917 -3.378 13.798 226 HB1 ALA 25 3HB ALA 25 2.366 -1.918 11.888 227 HB2 ALA 25 1HB ALA 25 2.827 -3.203 10.764 228 HB3 ALA 25 2HB ALA 25 4.042 -2.463 11.810 229 H ASN 26 H ASN 26 1.780 -6.159 12.402 230 HA ASN 26 HA ASN 26 -0.138 -7.309 12.608 231 HB2 ASN 26 2HB ASN 26 -1.175 -4.892 14.156 232 HB3 ASN 26 3HB ASN 26 -2.023 -6.430 14.018 233 HD21 ASN 26 1HD2 ASN 26 0.725 -4.789 15.445 234 HD22 ASN 26 2HD2 ASN 26 1.113 -6.019 16.592 235 H LEU 27 H LEU 27 0.347 -5.017 10.535 236 HA LEU 27 HA LEU 27 -2.353 -4.612 9.477 237 HB2 LEU 27 2HB LEU 27 0.345 -3.662 8.439 238 HB3 LEU 27 3HB LEU 27 -1.223 -3.173 7.808 239 HG LEU 27 HG LEU 27 -0.154 -2.534 10.586 240 HD11 LEU 27 1HD1 LEU 27 -0.020 -0.205 9.780 241 HD12 LEU 27 2HD1 LEU 27 -0.478 -0.741 8.159 242 HD13 LEU 27 3HD1 LEU 27 1.040 -1.284 8.876 243 HD21 LEU 27 3HD2 LEU 27 -2.741 -1.657 9.267 244 HD22 LEU 27 1HD2 LEU 27 -2.119 -1.058 10.809 245 HD23 LEU 27 2HD2 LEU 27 -2.580 -2.750 10.643 246 H GLU 28 H GLU 28 -3.093 -5.522 7.541 247 HA GLU 28 HA GLU 28 -1.623 -7.882 6.605 248 HB2 GLU 28 2HB GLU 28 -4.248 -7.651 7.128 249 HB3 GLU 28 3HB GLU 28 -4.316 -7.093 5.463 250 HG2 GLU 28 2HG GLU 28 -3.283 -9.773 6.448 251 HG3 GLU 28 3HG GLU 28 -4.805 -9.482 5.613 252 H LEU 29 H LEU 29 -0.589 -7.975 4.698 253 HA LEU 29 HA LEU 29 -0.504 -5.540 3.006 254 HB2 LEU 29 2HB LEU 29 1.496 -5.687 4.390 255 HB3 LEU 29 3HB LEU 29 1.806 -7.329 3.878 256 HG LEU 29 HG LEU 29 1.751 -5.241 1.696 257 HD11 LEU 29 1HD1 LEU 29 4.100 -5.424 3.612 258 HD12 LEU 29 2HD1 LEU 29 2.997 -4.060 3.444 259 HD13 LEU 29 3HD1 LEU 29 4.045 -4.503 2.102 260 HD21 LEU 29 3HD2 LEU 29 3.611 -6.561 0.784 261 HD22 LEU 29 1HD2 LEU 29 2.218 -7.583 1.128 262 HD23 LEU 29 2HD2 LEU 29 3.608 -7.592 2.218 263 H ARG 30 H ARG 30 -0.853 -5.850 0.943 264 HA ARG 30 HA ARG 30 -0.697 -8.533 -0.292 265 HB2 ARG 30 2HB ARG 30 -2.506 -6.178 -0.985 266 HB3 ARG 30 3HB ARG 30 -2.341 -7.601 -1.993 267 HG2 ARG 30 2HG ARG 30 -3.476 -7.543 0.814 268 HG3 ARG 30 3HG ARG 30 -4.411 -7.600 -0.679 269 HD2 ARG 30 2HD ARG 30 -4.399 -9.829 0.028 270 HD3 ARG 30 3HD ARG 30 -3.091 -9.802 -1.161 271 HE ARG 30 HE ARG 30 -2.308 -9.301 1.575 272 HH11 ARG 30 1HH1 ARG 30 -2.726 -11.846 -0.858 273 HH12 ARG 30 2HH1 ARG 30 -1.659 -12.941 -0.033 274 HH21 ARG 30 1HH2 ARG 30 -0.963 -10.748 2.629 275 HH22 ARG 30 2HH2 ARG 30 -0.660 -12.318 1.944 276 H THR 31 H THR 31 0.440 -8.642 -2.235 277 HA THR 31 HA THR 31 2.263 -6.403 -2.785 278 HB THR 31 HB THR 31 3.552 -8.085 -4.108 279 HG1 THR 31 HG1 THR 31 1.972 -10.193 -3.146 280 HG21 THR 31 3HG2 THR 31 2.805 -9.071 -1.320 281 HG22 THR 31 1HG2 THR 31 4.021 -7.837 -1.680 282 HG23 THR 31 2HG2 THR 31 4.265 -9.503 -2.213 283 H VAL 32 H VAL 32 2.206 -5.225 -4.598 284 HA VAL 32 HA VAL 32 0.354 -5.883 -6.808 285 HB VAL 32 HB VAL 32 1.261 -3.133 -5.798 286 HG11 VAL 32 1HG1 VAL 32 -0.800 -3.769 -7.937 287 HG12 VAL 32 2HG1 VAL 32 0.825 -3.147 -8.223 288 HG13 VAL 32 3HG1 VAL 32 -0.353 -2.166 -7.352 289 HG21 VAL 32 3HG2 VAL 32 -0.273 -4.180 -4.194 290 HG22 VAL 32 1HG2 VAL 32 -1.463 -4.457 -5.469 291 HG23 VAL 32 2HG2 VAL 32 -1.045 -2.809 -4.987 292 H LYS 33 H LYS 33 1.308 -6.080 -8.785 293 HA LYS 33 HA LYS 33 4.054 -5.034 -9.236 294 HB2 LYS 33 2HB LYS 33 2.524 -7.240 -10.708 295 HB3 LYS 33 3HB LYS 33 4.130 -6.664 -11.149 296 HG2 LYS 33 2HG LYS 33 3.427 -7.964 -8.496 297 HG3 LYS 33 3HG LYS 33 4.156 -8.803 -9.871 298 HD2 LYS 33 2HD LYS 33 6.156 -7.435 -9.719 299 HD3 LYS 33 3HD LYS 33 5.425 -6.413 -8.477 300 HE2 LYS 33 2HE LYS 33 7.059 -8.051 -7.574 301 HE3 LYS 33 3HE LYS 33 5.447 -8.247 -6.885 302 HZ1 LYS 33 3HZ LYS 33 5.065 -10.141 -8.249 303 HZ2 LYS 33 1HZ LYS 33 6.571 -10.360 -7.520 304 HZ3 LYS 33 2HZ LYS 33 6.477 -9.890 -9.140 305 H THR 34 H THR 34 1.069 -5.698 -11.130 306 HA THR 34 HA THR 34 1.423 -3.175 -12.640 307 HB THR 34 HB THR 34 -0.297 -4.146 -14.212 308 HG1 THR 34 HG1 THR 34 -1.193 -6.063 -13.810 309 HG21 THR 34 3HG2 THR 34 2.094 -4.433 -14.728 310 HG22 THR 34 1HG2 THR 34 1.178 -5.856 -15.236 311 HG23 THR 34 2HG2 THR 34 2.144 -5.907 -13.759 312 H GLU 35 H GLU 35 -0.632 -1.957 -13.124 313 HA GLU 35 HA GLU 35 -1.964 -1.215 -10.754 314 HB2 GLU 35 2HB GLU 35 -3.314 0.285 -12.128 315 HB3 GLU 35 3HB GLU 35 -1.644 0.321 -12.682 316 HG2 GLU 35 2HG GLU 35 -2.176 -1.029 -14.612 317 HG3 GLU 35 3HG GLU 35 -3.807 -1.325 -14.018 318 H ASP 36 H ASP 36 -2.679 -3.660 -13.073 319 HA ASP 36 HA ASP 36 -5.421 -4.123 -12.753 320 HB2 ASP 36 2HB ASP 36 -3.231 -6.211 -13.193 321 HB3 ASP 36 3HB ASP 36 -4.940 -6.405 -13.571 322 H GLU 37 H GLU 37 -2.646 -5.128 -10.840 323 HA GLU 37 HA GLU 37 -3.997 -6.823 -8.993 324 HB2 GLU 37 2HB GLU 37 -1.371 -5.308 -8.647 325 HB3 GLU 37 3HB GLU 37 -1.910 -6.680 -7.687 326 HG2 GLU 37 2HG GLU 37 -1.302 -6.766 -10.653 327 HG3 GLU 37 3HG GLU 37 -0.188 -7.256 -9.378 328 H LEU 38 H LEU 38 -2.939 -3.431 -8.928 329 HA LEU 38 HA LEU 38 -3.517 -2.754 -6.274 330 HB2 LEU 38 2HB LEU 38 -2.147 -1.487 -8.074 331 HB3 LEU 38 3HB LEU 38 -3.664 -0.857 -8.669 332 HG LEU 38 HG LEU 38 -2.290 0.713 -7.215 333 HD11 LEU 38 1HD1 LEU 38 -4.647 1.188 -7.574 334 HD12 LEU 38 2HD1 LEU 38 -4.145 1.661 -5.954 335 HD13 LEU 38 3HD1 LEU 38 -5.087 0.184 -6.188 336 HD21 LEU 38 3HD2 LEU 38 -3.126 -1.103 -4.936 337 HD22 LEU 38 1HD2 LEU 38 -2.283 0.443 -4.792 338 HD23 LEU 38 2HD2 LEU 38 -1.489 -0.924 -5.571 339 H LYS 39 H LYS 39 -5.434 -2.423 -9.213 340 HA LYS 39 HA LYS 39 -7.727 -1.214 -8.040 341 HB2 LYS 39 2HB LYS 39 -7.278 -2.518 -10.758 342 HB3 LYS 39 3HB LYS 39 -8.705 -1.571 -10.330 343 HG2 LYS 39 2HG LYS 39 -7.494 0.455 -10.234 344 HG3 LYS 39 3HG LYS 39 -5.952 -0.373 -10.030 345 HD2 LYS 39 2HD LYS 39 -5.969 0.554 -12.235 346 HD3 LYS 39 3HD LYS 39 -6.125 -1.193 -12.398 347 HE2 LYS 39 2HE LYS 39 -8.549 -0.930 -12.789 348 HE3 LYS 39 3HE LYS 39 -8.384 0.822 -12.616 349 HZ1 LYS 39 3HZ LYS 39 -7.119 -0.868 -14.710 350 HZ2 LYS 39 1HZ LYS 39 -6.826 0.783 -14.500 351 HZ3 LYS 39 2HZ LYS 39 -8.368 0.246 -14.927 352 H LYS 40 H LYS 40 -6.968 -4.604 -8.968 353 HA LYS 40 HA LYS 40 -9.568 -5.622 -8.508 354 HB2 LYS 40 2HB LYS 40 -8.710 -7.798 -8.781 355 HB3 LYS 40 3HB LYS 40 -7.602 -6.810 -9.723 356 HG2 LYS 40 2HG LYS 40 -5.996 -6.872 -7.811 357 HG3 LYS 40 3HG LYS 40 -7.096 -7.955 -6.960 358 HD2 LYS 40 2HD LYS 40 -6.854 -9.594 -8.864 359 HD3 LYS 40 3HD LYS 40 -5.652 -8.516 -9.583 360 HE2 LYS 40 2HE LYS 40 -4.265 -8.755 -7.511 361 HE3 LYS 40 3HE LYS 40 -5.437 -9.928 -6.898 362 HZ1 LYS 40 3HZ LYS 40 -4.977 -11.290 -8.892 363 HZ2 LYS 40 1HZ LYS 40 -3.611 -11.073 -7.920 364 HZ3 LYS 40 2HZ LYS 40 -3.778 -10.189 -9.348 365 H TYR 41 H TYR 41 -6.873 -5.022 -6.352 366 HA TYR 41 HA TYR 41 -8.010 -6.209 -4.007 367 HB2 TYR 41 2HB TYR 41 -5.934 -3.993 -4.281 368 HB3 TYR 41 3HB TYR 41 -6.389 -4.723 -2.745 369 HD1 TYR 41 HD1 TYR 41 -6.546 -7.632 -3.459 370 HD2 TYR 41 HD2 TYR 41 -3.670 -4.673 -4.590 371 HE1 TYR 41 HE1 TYR 41 -4.853 -9.385 -3.773 372 HE2 TYR 41 HE2 TYR 41 -1.982 -6.433 -4.898 373 HH TYR 41 HH TYR 41 -1.510 -8.685 -4.206 374 H LEU 42 H LEU 42 -8.035 -2.905 -5.349 375 HA LEU 42 HA LEU 42 -9.495 -1.583 -3.382 376 HB2 LEU 42 2HB LEU 42 -9.473 -1.070 -6.384 377 HB3 LEU 42 3HB LEU 42 -10.186 0.026 -5.213 378 HG LEU 42 HG LEU 42 -7.232 -0.679 -5.409 379 HD11 LEU 42 1HD1 LEU 42 -7.996 0.737 -7.255 380 HD12 LEU 42 2HD1 LEU 42 -6.928 1.631 -6.179 381 HD13 LEU 42 3HD1 LEU 42 -8.672 1.901 -6.110 382 HD21 LEU 42 3HD2 LEU 42 -7.835 -0.251 -3.076 383 HD22 LEU 42 1HD2 LEU 42 -8.609 1.271 -3.527 384 HD23 LEU 42 2HD2 LEU 42 -6.864 1.073 -3.711 385 H GLU 43 H GLU 43 -10.787 -3.348 -6.221 386 HA GLU 43 HA GLU 43 -13.498 -2.761 -5.975 387 HB2 GLU 43 2HB GLU 43 -12.236 -5.356 -6.948 388 HB3 GLU 43 3HB GLU 43 -13.911 -4.885 -7.229 389 HG2 GLU 43 2HG GLU 43 -13.135 -2.938 -8.535 390 HG3 GLU 43 3HG GLU 43 -11.463 -3.428 -8.265 391 H GLU 44 H GLU 44 -11.675 -5.403 -4.460 392 HA GLU 44 HA GLU 44 -13.818 -6.563 -2.991 393 HB2 GLU 44 2HB GLU 44 -11.604 -7.673 -3.477 394 HB3 GLU 44 3HB GLU 44 -10.829 -6.574 -2.347 395 HG2 GLU 44 2HG GLU 44 -11.166 -8.746 -1.305 396 HG3 GLU 44 3HG GLU 44 -12.157 -7.531 -0.496 397 H PHE 45 H PHE 45 -11.468 -4.007 -2.282 398 HA PHE 45 HA PHE 45 -12.238 -3.538 0.424 399 HB2 PHE 45 2HB PHE 45 -10.644 -1.834 -1.523 400 HB3 PHE 45 3HB PHE 45 -10.824 -1.461 0.186 401 HD1 PHE 45 HD2 PHE 45 -10.598 -4.645 0.866 402 HD2 PHE 45 HD1 PHE 45 -8.169 -1.799 -1.219 403 HE1 PHE 45 HE2 PHE 45 -8.586 -5.974 1.370 404 HE2 PHE 45 HE1 PHE 45 -6.170 -3.143 -0.705 405 HZ PHE 45 HZ PHE 45 -6.375 -5.227 0.589 406 H ARG 46 H ARG 46 -13.673 -2.526 -2.549 407 HA ARG 46 HA ARG 46 -15.098 -0.226 -1.535 408 HB2 ARG 46 2HB ARG 46 -15.648 -1.985 -3.968 409 HB3 ARG 46 3HB ARG 46 -16.563 -0.528 -3.584 410 HG2 ARG 46 2HG ARG 46 -14.441 0.791 -3.794 411 HG3 ARG 46 3HG ARG 46 -13.624 -0.686 -4.310 412 HD2 ARG 46 2HD ARG 46 -15.929 0.690 -5.740 413 HD3 ARG 46 3HD ARG 46 -14.243 0.660 -6.256 414 HE ARG 46 HE ARG 46 -15.405 -1.965 -5.974 415 HH11 ARG 46 1HH1 ARG 46 -15.005 0.713 -8.258 416 HH12 ARG 46 2HH1 ARG 46 -15.253 -0.288 -9.653 417 HH21 ARG 46 1HH2 ARG 46 -15.763 -3.239 -7.799 418 HH22 ARG 46 2HH2 ARG 46 -15.686 -2.549 -9.390 419 H LYS 47 H LYS 47 -15.763 -3.664 -1.911 420 HA LYS 47 HA LYS 47 -18.474 -3.777 -1.116 421 HB2 LYS 47 2HB LYS 47 -16.275 -5.854 -0.713 422 HB3 LYS 47 3HB LYS 47 -18.004 -6.175 -0.633 423 HG2 LYS 47 2HG LYS 47 -18.276 -5.862 -2.985 424 HG3 LYS 47 3HG LYS 47 -16.682 -5.117 -3.142 425 HD2 LYS 47 2HD LYS 47 -16.702 -7.449 -4.004 426 HD3 LYS 47 3HD LYS 47 -15.575 -7.241 -2.663 427 HE2 LYS 47 2HE LYS 47 -17.274 -8.232 -1.126 428 HE3 LYS 47 3HE LYS 47 -18.334 -8.506 -2.513 429 HZ1 LYS 47 3HZ LYS 47 -15.602 -9.654 -2.220 430 HZ2 LYS 47 1HZ LYS 47 -16.709 -9.982 -3.458 431 HZ3 LYS 47 2HZ LYS 47 -17.037 -10.478 -1.881 432 H GLU 48 H GLU 48 -15.480 -3.609 0.695 433 HA GLU 48 HA GLU 48 -16.928 -3.473 3.276 434 HB2 GLU 48 2HB GLU 48 -14.795 -4.311 4.313 435 HB3 GLU 48 3HB GLU 48 -15.504 -5.462 3.187 436 HG2 GLU 48 2HG GLU 48 -13.879 -4.764 1.452 437 HG3 GLU 48 3HG GLU 48 -13.157 -3.631 2.592 438 H SER 49 H SER 49 -16.617 -1.253 1.489 439 HA SER 49 HA SER 49 -14.490 0.474 2.205 440 HB2 SER 49 2HB SER 49 -15.949 2.302 1.243 441 HB3 SER 49 3HB SER 49 -15.725 0.912 0.183 442 HG SER 49 HG SER 49 -17.803 0.654 0.180 443 H GLN 50 H GLN 50 -17.041 -0.548 4.120 444 HA GLN 50 HA GLN 50 -17.628 1.659 5.728 445 HB2 GLN 50 2HB GLN 50 -18.308 -0.091 7.443 446 HB3 GLN 50 3HB GLN 50 -19.076 -0.195 5.866 447 HG2 GLN 50 2HG GLN 50 -17.526 -2.045 5.257 448 HG3 GLN 50 3HG GLN 50 -16.834 -1.972 6.880 449 HE21 GLN 50 1HE2 GLN 50 -18.117 -2.672 8.652 450 HE22 GLN 50 2HE2 GLN 50 -19.511 -3.670 8.434 451 H ASN 51 H ASN 51 -15.973 2.881 6.397 452 HA ASN 51 HA ASN 51 -14.100 3.656 7.413 453 HB2 ASN 51 2HB ASN 51 -15.216 1.702 9.426 454 HB3 ASN 51 3HB ASN 51 -13.649 2.419 9.760 455 HD21 ASN 51 1HD2 ASN 51 -17.051 3.096 9.307 456 HD22 ASN 51 2HD2 ASN 51 -17.018 4.652 10.061 457 H ILE 52 H ILE 52 -13.440 1.953 5.368 458 HA ILE 52 HA ILE 52 -11.211 0.321 6.349 459 HB ILE 52 HB ILE 52 -12.742 -0.512 4.497 460 HG12 ILE 52 2HG1 ILE 52 -9.788 -0.386 3.710 461 HG13 ILE 52 3HG1 ILE 52 -10.419 -1.421 4.984 462 HG21 ILE 52 1HG2 ILE 52 -11.240 1.495 2.773 463 HG22 ILE 52 2HG2 ILE 52 -12.950 1.565 3.197 464 HG23 ILE 52 3HG2 ILE 52 -12.351 0.250 2.187 465 HD11 ILE 52 3HD1 ILE 52 -10.072 -2.643 2.928 466 HD12 ILE 52 1HD1 ILE 52 -11.184 -1.573 2.076 467 HD13 ILE 52 2HD1 ILE 52 -11.778 -2.621 3.368 468 H LYS 53 H LYS 53 -9.069 0.691 5.735 469 HA LYS 53 HA LYS 53 -8.346 3.133 4.326 470 HB2 LYS 53 2HB LYS 53 -7.479 2.405 7.133 471 HB3 LYS 53 3HB LYS 53 -6.379 3.298 6.085 472 HG2 LYS 53 2HG LYS 53 -8.148 5.041 5.786 473 HG3 LYS 53 3HG LYS 53 -9.140 4.181 6.969 474 HD2 LYS 53 2HD LYS 53 -7.595 4.630 8.738 475 HD3 LYS 53 3HD LYS 53 -6.338 5.160 7.613 476 HE2 LYS 53 2HE LYS 53 -7.503 7.023 8.831 477 HE3 LYS 53 3HE LYS 53 -7.556 7.168 7.074 478 HZ1 LYS 53 3HZ LYS 53 -9.740 6.037 8.717 479 HZ2 LYS 53 1HZ LYS 53 -9.784 6.389 7.066 480 HZ3 LYS 53 2HZ LYS 53 -9.680 7.640 8.193 481 H VAL 54 H VAL 54 -6.728 2.840 3.000 482 HA VAL 54 HA VAL 54 -5.121 0.343 3.100 483 HB VAL 54 HB VAL 54 -5.989 1.912 0.615 484 HG11 VAL 54 1HG1 VAL 54 -4.468 -0.704 0.830 485 HG12 VAL 54 2HG1 VAL 54 -3.805 0.854 0.328 486 HG13 VAL 54 3HG1 VAL 54 -5.022 0.057 -0.665 487 HG21 VAL 54 3HG2 VAL 54 -7.441 -0.008 0.082 488 HG22 VAL 54 1HG2 VAL 54 -7.896 0.715 1.627 489 HG23 VAL 54 2HG2 VAL 54 -6.983 -0.796 1.595 490 H LEU 55 H LEU 55 -2.949 0.616 3.111 491 HA LEU 55 HA LEU 55 -1.791 3.317 2.723 492 HB2 LEU 55 2HB LEU 55 -1.411 2.242 4.945 493 HB3 LEU 55 3HB LEU 55 -0.664 0.868 4.146 494 HG LEU 55 HG LEU 55 1.104 2.459 3.251 495 HD11 LEU 55 1HD1 LEU 55 1.435 4.605 4.345 496 HD12 LEU 55 2HD1 LEU 55 -0.084 4.411 5.226 497 HD13 LEU 55 3HD1 LEU 55 -0.091 4.560 3.466 498 HD21 LEU 55 3HD2 LEU 55 0.933 2.165 6.261 499 HD22 LEU 55 1HD2 LEU 55 2.395 2.518 5.334 500 HD23 LEU 55 2HD2 LEU 55 1.570 0.976 5.124 501 H ILE 56 H ILE 56 -1.116 3.501 0.620 502 HA ILE 56 HA ILE 56 -0.136 1.095 -0.773 503 HB ILE 56 HB ILE 56 -1.032 3.740 -2.023 504 HG12 ILE 56 2HG1 ILE 56 -2.446 1.022 -1.933 505 HG13 ILE 56 3HG1 ILE 56 -2.921 2.448 -1.023 506 HG21 ILE 56 1HG2 ILE 56 0.677 2.595 -3.377 507 HG22 ILE 56 2HG2 ILE 56 -0.888 2.516 -4.178 508 HG23 ILE 56 3HG2 ILE 56 -0.258 1.098 -3.337 509 HD11 ILE 56 3HD1 ILE 56 -3.472 3.598 -3.103 510 HD12 ILE 56 1HD1 ILE 56 -4.360 2.086 -2.925 511 HD13 ILE 56 2HD1 ILE 56 -2.983 2.171 -4.025 512 H LEU 57 H LEU 57 2.022 0.867 -0.531 513 HA LEU 57 HA LEU 57 3.804 3.230 -0.444 514 HB2 LEU 57 2HB LEU 57 4.497 0.286 0.014 515 HB3 LEU 57 3HB LEU 57 5.625 1.623 0.122 516 HG LEU 57 HG LEU 57 5.148 1.025 2.358 517 HD11 LEU 57 1HD1 LEU 57 3.383 3.414 1.779 518 HD12 LEU 57 2HD1 LEU 57 5.126 3.436 2.053 519 HD13 LEU 57 3HD1 LEU 57 4.042 2.956 3.353 520 HD21 LEU 57 3HD2 LEU 57 3.199 -0.387 1.948 521 HD22 LEU 57 1HD2 LEU 57 2.185 1.044 1.731 522 HD23 LEU 57 2HD2 LEU 57 2.926 0.707 3.299 523 H VAL 58 H VAL 58 4.499 3.876 -2.362 524 HA VAL 58 HA VAL 58 4.735 1.972 -4.615 525 HB VAL 58 HB VAL 58 4.322 3.895 -6.104 526 HG11 VAL 58 1HG1 VAL 58 2.177 3.659 -3.961 527 HG12 VAL 58 2HG1 VAL 58 2.383 2.599 -5.354 528 HG13 VAL 58 3HG1 VAL 58 1.938 4.288 -5.597 529 HG21 VAL 58 3HG2 VAL 58 3.907 5.549 -3.590 530 HG22 VAL 58 1HG2 VAL 58 3.643 6.089 -5.248 531 HG23 VAL 58 2HG2 VAL 58 5.267 5.693 -4.704 532 H SER 59 H SER 59 6.639 1.915 -5.728 533 HA SER 59 HA SER 59 8.990 3.127 -4.556 534 HB2 SER 59 2HB SER 59 8.656 1.349 -7.005 535 HB3 SER 59 3HB SER 59 10.203 1.804 -6.283 536 HG SER 59 HG SER 59 8.112 0.343 -5.025 537 H ASN 60 H ASN 60 6.786 3.992 -7.066 538 HA ASN 60 HA ASN 60 8.691 5.968 -8.206 539 HB2 ASN 60 2HB ASN 60 6.507 4.441 -9.682 540 HB3 ASN 60 3HB ASN 60 7.467 5.743 -10.379 541 HD21 ASN 60 1HD2 ASN 60 7.210 2.930 -11.193 542 HD22 ASN 60 2HD2 ASN 60 8.817 2.297 -11.188 543 H ASP 61 H ASP 61 7.933 8.000 -8.675 544 HA ASP 61 HA ASP 61 5.644 9.109 -7.439 545 HB2 ASP 61 2HB ASP 61 7.627 10.447 -7.978 546 HB3 ASP 61 3HB ASP 61 7.414 10.145 -9.698 547 H GLU 62 H GLU 62 6.241 7.791 -10.625 548 HA GLU 62 HA GLU 62 3.906 8.404 -12.016 549 HB2 GLU 62 2HB GLU 62 5.830 7.229 -13.025 550 HB3 GLU 62 3HB GLU 62 5.545 5.826 -12.005 551 HG2 GLU 62 2HG GLU 62 4.775 5.430 -14.293 552 HG3 GLU 62 3HG GLU 62 3.438 5.373 -13.148 553 H GLU 63 H GLU 63 4.600 5.735 -9.812 554 HA GLU 63 HA GLU 63 1.981 4.602 -9.895 555 HB2 GLU 63 2HB GLU 63 4.302 4.063 -7.999 556 HB3 GLU 63 3HB GLU 63 2.870 3.051 -8.195 557 HG2 GLU 63 2HG GLU 63 5.003 3.600 -10.285 558 HG3 GLU 63 3HG GLU 63 4.748 2.088 -9.414 559 H LEU 64 H LEU 64 3.604 6.932 -7.772 560 HA LEU 64 HA LEU 64 1.840 7.008 -5.610 561 HB2 LEU 64 2HB LEU 64 3.943 8.290 -5.612 562 HB3 LEU 64 3HB LEU 64 3.367 9.295 -6.928 563 HG LEU 64 HG LEU 64 1.547 10.151 -5.351 564 HD11 LEU 64 1HD1 LEU 64 1.542 8.381 -3.693 565 HD12 LEU 64 2HD1 LEU 64 1.890 9.930 -2.935 566 HD13 LEU 64 3HD1 LEU 64 3.197 8.775 -3.216 567 HD21 LEU 64 3HD2 LEU 64 3.505 11.509 -5.880 568 HD22 LEU 64 1HD2 LEU 64 4.421 10.745 -4.577 569 HD23 LEU 64 2HD2 LEU 64 3.017 11.750 -4.204 570 H ASP 65 H ASP 65 1.798 9.050 -8.545 571 HA ASP 65 HA ASP 65 -0.658 10.337 -7.983 572 HB2 ASP 65 2HB ASP 65 1.118 11.259 -9.498 573 HB3 ASP 65 3HB ASP 65 0.736 10.011 -10.676 574 H LYS 66 H LYS 66 0.217 7.467 -9.833 575 HA LYS 66 HA LYS 66 -2.230 7.052 -11.185 576 HB2 LYS 66 2HB LYS 66 0.082 5.967 -11.637 577 HB3 LYS 66 3HB LYS 66 -0.305 4.838 -10.348 578 HG2 LYS 66 2HG LYS 66 -0.785 3.841 -12.514 579 HG3 LYS 66 3HG LYS 66 -2.296 4.081 -11.627 580 HD2 LYS 66 2HD LYS 66 -2.771 6.108 -12.941 581 HD3 LYS 66 3HD LYS 66 -1.227 5.952 -13.785 582 HE2 LYS 66 2HE LYS 66 -3.093 5.171 -15.171 583 HE3 LYS 66 3HE LYS 66 -1.991 3.846 -14.801 584 HZ1 LYS 66 3HZ LYS 66 -4.273 3.155 -14.587 585 HZ2 LYS 66 1HZ LYS 66 -4.588 4.384 -13.469 586 HZ3 LYS 66 2HZ LYS 66 -3.530 3.126 -13.074 587 H ALA 67 H ALA 67 -0.950 5.722 -8.129 588 HA ALA 67 HA ALA 67 -3.227 4.121 -7.510 589 HB1 ALA 67 3HB ALA 67 -0.994 5.082 -5.696 590 HB2 ALA 67 1HB ALA 67 -0.997 3.597 -6.645 591 HB3 ALA 67 2HB ALA 67 -2.147 3.798 -5.322 592 H LYS 68 H LYS 68 -2.307 7.476 -6.714 593 HA LYS 68 HA LYS 68 -4.324 8.005 -4.798 594 HB2 LYS 68 2HB LYS 68 -2.967 9.877 -6.775 595 HB3 LYS 68 3HB LYS 68 -4.152 10.442 -5.604 596 HG2 LYS 68 2HG LYS 68 -2.626 9.565 -3.774 597 HG3 LYS 68 3HG LYS 68 -1.414 9.261 -5.024 598 HD2 LYS 68 2HD LYS 68 -2.635 11.967 -4.324 599 HD3 LYS 68 3HD LYS 68 -1.005 11.431 -3.916 600 HE2 LYS 68 2HE LYS 68 -0.365 11.409 -6.253 601 HE3 LYS 68 3HE LYS 68 -2.023 11.722 -6.762 602 HZ1 LYS 68 3HZ LYS 68 -0.284 13.581 -5.238 603 HZ2 LYS 68 1HZ LYS 68 -1.895 13.885 -5.649 604 HZ3 LYS 68 2HZ LYS 68 -0.723 13.732 -6.860 605 H GLU 69 H GLU 69 -4.276 8.418 -8.323 606 HA GLU 69 HA GLU 69 -6.856 9.473 -8.654 607 HB2 GLU 69 2HB GLU 69 -5.051 7.919 -10.541 608 HB3 GLU 69 3HB GLU 69 -6.643 8.473 -11.047 609 HG2 GLU 69 2HG GLU 69 -4.388 10.257 -10.076 610 HG3 GLU 69 3HG GLU 69 -4.846 10.001 -11.758 611 H LEU 70 H LEU 70 -5.746 6.101 -8.934 612 HA LEU 70 HA LEU 70 -8.177 4.918 -9.656 613 HB2 LEU 70 2HB LEU 70 -5.771 3.741 -8.196 614 HB3 LEU 70 3HB LEU 70 -7.072 2.771 -8.870 615 HG LEU 70 HG LEU 70 -5.267 4.581 -10.529 616 HD11 LEU 70 1HD1 LEU 70 -4.136 2.529 -11.318 617 HD12 LEU 70 2HD1 LEU 70 -5.041 1.580 -10.136 618 HD13 LEU 70 3HD1 LEU 70 -3.895 2.806 -9.594 619 HD21 LEU 70 3HD2 LEU 70 -7.267 2.472 -11.386 620 HD22 LEU 70 1HD2 LEU 70 -6.187 3.366 -12.462 621 HD23 LEU 70 2HD2 LEU 70 -7.439 4.219 -11.564 622 H ALA 71 H ALA 71 -6.663 5.239 -6.427 623 HA ALA 71 HA ALA 71 -8.605 3.830 -4.938 624 HB1 ALA 71 3HB ALA 71 -6.621 5.939 -4.036 625 HB2 ALA 71 1HB ALA 71 -6.321 4.204 -4.151 626 HB3 ALA 71 2HB ALA 71 -7.484 4.822 -2.978 627 H GLN 72 H GLN 72 -8.257 7.304 -5.643 628 HA GLN 72 HA GLN 72 -10.357 8.158 -3.873 629 HB2 GLN 72 2HB GLN 72 -8.843 9.628 -6.072 630 HB3 GLN 72 3HB GLN 72 -10.042 10.396 -5.031 631 HG2 GLN 72 2HG GLN 72 -8.662 9.919 -3.049 632 HG3 GLN 72 3HG GLN 72 -7.490 9.074 -4.062 633 HE21 GLN 72 1HE2 GLN 72 -5.802 10.465 -3.454 634 HE22 GLN 72 2HE2 GLN 72 -5.704 12.098 -4.010 635 H LYS 73 H LYS 73 -10.220 7.249 -7.307 636 HA LYS 73 HA LYS 73 -12.930 8.154 -7.838 637 HB2 LYS 73 2HB LYS 73 -11.214 6.285 -9.532 638 HB3 LYS 73 3HB LYS 73 -12.695 7.096 -10.044 639 HG2 LYS 73 2HG LYS 73 -10.022 8.369 -9.412 640 HG3 LYS 73 3HG LYS 73 -10.810 8.274 -10.984 641 HD2 LYS 73 2HD LYS 73 -12.377 9.956 -10.434 642 HD3 LYS 73 3HD LYS 73 -12.155 9.745 -8.699 643 HE2 LYS 73 2HE LYS 73 -11.159 11.838 -9.384 644 HE3 LYS 73 3HE LYS 73 -9.884 10.737 -8.882 645 HZ1 LYS 73 3HZ LYS 73 -10.647 11.352 -11.687 646 HZ2 LYS 73 1HZ LYS 73 -9.414 10.297 -11.215 647 HZ3 LYS 73 2HZ LYS 73 -9.290 11.944 -10.876 648 H MET 74 H MET 74 -11.424 5.256 -6.600 649 HA MET 74 HA MET 74 -13.887 3.708 -6.518 650 HB2 MET 74 2HB MET 74 -11.298 3.357 -4.940 651 HB3 MET 74 3HB MET 74 -12.645 2.224 -4.928 652 HG2 MET 74 2HG MET 74 -10.917 2.906 -7.308 653 HG3 MET 74 3HG MET 74 -10.834 1.434 -6.345 654 HE1 MET 74 3HE MET 74 -12.273 -0.269 -9.431 655 HE2 MET 74 1HE MET 74 -11.211 -0.408 -8.030 656 HE3 MET 74 2HE MET 74 -10.900 0.824 -9.258 657 H GLU 75 H GLU 75 -12.818 6.424 -4.950 658 HA GLU 75 HA GLU 75 -13.186 7.594 -3.052 659 HB2 GLU 75 2HB GLU 75 -15.875 6.196 -3.321 660 HB3 GLU 75 3HB GLU 75 -15.572 7.495 -2.170 661 HG2 GLU 75 2HG GLU 75 -14.947 8.976 -4.100 662 HG3 GLU 75 3HG GLU 75 -15.436 7.679 -5.191 663 H ILE 76 H ILE 76 -11.901 5.019 -2.677 664 HA ILE 76 HA ILE 76 -12.643 4.137 0.013 665 HB ILE 76 HB ILE 76 -10.295 3.361 -1.803 666 HG12 ILE 76 2HG1 ILE 76 -12.840 1.791 -1.142 667 HG13 ILE 76 3HG1 ILE 76 -12.558 2.674 -2.639 668 HG21 ILE 76 1HG2 ILE 76 -11.151 2.047 0.809 669 HG22 ILE 76 2HG2 ILE 76 -9.693 3.006 0.564 670 HG23 ILE 76 3HG2 ILE 76 -9.882 1.465 -0.271 671 HD11 ILE 76 3HD1 ILE 76 -10.997 0.288 -1.670 672 HD12 ILE 76 1HD1 ILE 76 -10.681 1.190 -3.157 673 HD13 ILE 76 2HD1 ILE 76 -12.199 0.322 -2.957 674 H ASP 77 H ASP 77 -11.655 4.871 1.878 675 HA ASP 77 HA ASP 77 -9.947 7.156 1.852 676 HB2 ASP 77 2HB ASP 77 -11.544 6.559 3.707 677 HB3 ASP 77 3HB ASP 77 -10.484 5.235 4.164 678 H VAL 78 H VAL 78 -7.892 7.037 1.182 679 HA VAL 78 HA VAL 78 -6.172 4.766 1.975 680 HB VAL 78 HB VAL 78 -6.363 6.039 -0.810 681 HG11 VAL 78 1HG1 VAL 78 -4.444 3.880 0.136 682 HG12 VAL 78 2HG1 VAL 78 -4.022 5.535 -0.313 683 HG13 VAL 78 3HG1 VAL 78 -4.649 4.428 -1.532 684 HG21 VAL 78 3HG2 VAL 78 -7.044 3.231 0.144 685 HG22 VAL 78 1HG2 VAL 78 -6.982 3.724 -1.550 686 HG23 VAL 78 2HG2 VAL 78 -8.161 4.450 -0.460 687 H ARG 79 H ARG 79 -4.187 5.311 2.638 688 HA ARG 79 HA ARG 79 -3.127 8.045 2.329 689 HB2 ARG 79 2HB ARG 79 -2.356 5.750 4.203 690 HB3 ARG 79 3HB ARG 79 -1.324 7.146 3.952 691 HG2 ARG 79 2HG ARG 79 -2.435 7.512 5.993 692 HG3 ARG 79 3HG ARG 79 -3.195 8.594 4.837 693 HD2 ARG 79 2HD ARG 79 -4.575 5.983 5.129 694 HD3 ARG 79 3HD ARG 79 -4.530 6.929 6.608 695 HE ARG 79 HE ARG 79 -6.132 7.417 4.291 696 HH11 ARG 79 1HH1 ARG 79 -4.549 9.114 6.967 697 HH12 ARG 79 2HH1 ARG 79 -5.645 10.458 6.889 698 HH21 ARG 79 1HH2 ARG 79 -7.554 9.163 4.262 699 HH22 ARG 79 2HH2 ARG 79 -7.335 10.483 5.368 700 H THR 80 H THR 80 -2.023 8.160 0.406 701 HA THR 80 HA THR 80 -0.651 5.751 -0.660 702 HB THR 80 HB THR 80 -1.327 8.322 -2.187 703 HG1 THR 80 HG1 THR 80 -2.857 6.080 -1.559 704 HG21 THR 80 3HG2 THR 80 -0.582 5.536 -3.185 705 HG22 THR 80 1HG2 THR 80 0.466 6.954 -3.232 706 HG23 THR 80 2HG2 THR 80 -1.008 6.917 -4.201 707 H ARG 81 H ARG 81 1.488 5.712 -0.243 708 HA ARG 81 HA ARG 81 2.970 8.234 0.248 709 HB2 ARG 81 2HB ARG 81 3.470 5.492 1.497 710 HB3 ARG 81 3HB ARG 81 4.347 6.976 1.868 711 HG2 ARG 81 2HG ARG 81 1.436 6.378 2.470 712 HG3 ARG 81 3HG ARG 81 2.758 6.494 3.636 713 HD2 ARG 81 2HD ARG 81 3.026 8.899 3.053 714 HD3 ARG 81 3HD ARG 81 1.661 8.764 1.933 715 HE ARG 81 HE ARG 81 1.179 8.007 4.709 716 HH11 ARG 81 1HH1 ARG 81 0.808 10.492 2.243 717 HH12 ARG 81 2HH1 ARG 81 -0.421 11.344 3.122 718 HH21 ARG 81 1HH2 ARG 81 -0.382 9.135 5.862 719 HH22 ARG 81 2HH2 ARG 81 -1.100 10.569 5.189 720 H LYS 82 H LYS 82 4.736 8.599 -0.925 721 HA LYS 82 HA LYS 82 5.682 6.605 -2.854 722 HB2 LYS 82 2HB LYS 82 5.188 8.836 -3.712 723 HB3 LYS 82 3HB LYS 82 6.269 9.574 -2.534 724 HG2 LYS 82 2HG LYS 82 8.209 8.560 -3.621 725 HG3 LYS 82 3HG LYS 82 7.157 7.682 -4.736 726 HD2 LYS 82 2HD LYS 82 8.162 9.687 -5.792 727 HD3 LYS 82 3HD LYS 82 6.402 9.774 -5.748 728 HE2 LYS 82 2HE LYS 82 6.615 11.227 -3.684 729 HE3 LYS 82 3HE LYS 82 8.360 11.250 -3.962 730 HZ1 LYS 82 3HZ LYS 82 6.327 12.174 -5.932 731 HZ2 LYS 82 1HZ LYS 82 8.002 12.287 -6.089 732 HZ3 LYS 82 2HZ LYS 82 7.204 13.196 -4.911 733 H VAL 83 H VAL 83 7.059 5.232 -1.988 734 HA VAL 83 HA VAL 83 9.231 6.116 -0.215 735 HB VAL 83 HB VAL 83 9.492 3.810 0.461 736 HG11 VAL 83 1HG1 VAL 83 6.555 4.605 0.420 737 HG12 VAL 83 2HG1 VAL 83 7.756 5.042 1.639 738 HG13 VAL 83 3HG1 VAL 83 7.251 3.365 1.461 739 HG21 VAL 83 3HG2 VAL 83 8.113 1.954 -0.415 740 HG22 VAL 83 1HG2 VAL 83 9.104 2.666 -1.689 741 HG23 VAL 83 2HG2 VAL 83 7.382 3.042 -1.599 742 H THR 84 H THR 84 11.378 5.181 -0.597 743 HA THR 84 HA THR 84 11.985 4.601 -3.445 744 HB THR 84 HB THR 84 14.140 5.941 -3.087 745 HG1 THR 84 HG1 THR 84 13.865 7.610 -1.381 746 HG21 THR 84 3HG2 THR 84 11.568 7.566 -2.933 747 HG22 THR 84 1HG2 THR 84 12.268 6.896 -4.412 748 HG23 THR 84 2HG2 THR 84 13.132 8.142 -3.512 749 H SER 85 H SER 85 13.356 4.640 -0.135 750 HA SER 85 HA SER 85 14.977 2.259 -0.665 751 HB2 SER 85 2HB SER 85 14.806 4.038 1.807 752 HB3 SER 85 3HB SER 85 15.979 2.743 1.552 753 HG SER 85 HG SER 85 16.087 4.316 -0.568 754 HA PRO 86 HA PRO 86 12.226 -0.755 1.224 755 HB2 PRO 86 2HB PRO 86 14.609 -1.750 2.790 756 HB3 PRO 86 3HB PRO 86 13.501 -2.643 1.724 757 HG2 PRO 86 2HG PRO 86 15.932 -2.056 0.874 758 HG3 PRO 86 3HG PRO 86 14.544 -1.893 -0.231 759 HD2 PRO 86 2HD PRO 86 16.023 0.265 1.275 760 HD3 PRO 86 3HD PRO 86 15.446 0.256 -0.407 761 H ASP 87 H ASP 87 14.443 0.903 3.454 762 HA ASP 87 HA ASP 87 12.917 0.402 5.831 763 HB2 ASP 87 2HB ASP 87 15.330 0.856 5.939 764 HB3 ASP 87 3HB ASP 87 15.083 2.479 5.306 765 H GLU 88 H GLU 88 12.843 2.960 3.397 766 HA GLU 88 HA GLU 88 11.119 4.775 4.732 767 HB2 GLU 88 2HB GLU 88 11.405 4.179 1.757 768 HB3 GLU 88 3HB GLU 88 10.463 5.515 2.408 769 HG2 GLU 88 2HG GLU 88 13.455 5.137 2.695 770 HG3 GLU 88 3HG GLU 88 12.650 6.254 1.593 771 H ALA 89 H ALA 89 10.483 1.965 2.643 772 HA ALA 89 HA ALA 89 7.660 2.083 2.590 773 HB1 ALA 89 3HB ALA 89 8.976 0.725 1.010 774 HB2 ALA 89 1HB ALA 89 7.758 -0.256 1.827 775 HB3 ALA 89 2HB ALA 89 9.452 -0.357 2.321 776 H LYS 90 H LYS 90 9.933 0.513 4.788 777 HA LYS 90 HA LYS 90 8.089 -0.915 6.385 778 HB2 LYS 90 2HB LYS 90 10.921 0.101 6.873 779 HB3 LYS 90 3HB LYS 90 10.056 -0.883 8.046 780 HG2 LYS 90 2HG LYS 90 10.008 -2.766 6.554 781 HG3 LYS 90 3HG LYS 90 10.598 -1.786 5.214 782 HD2 LYS 90 2HD LYS 90 12.337 -3.297 6.178 783 HD3 LYS 90 3HD LYS 90 12.795 -1.599 6.202 784 HE2 LYS 90 2HE LYS 90 11.592 -2.893 8.653 785 HE3 LYS 90 3HE LYS 90 13.301 -3.095 8.276 786 HZ1 LYS 90 3HZ LYS 90 13.514 -0.647 8.266 787 HZ2 LYS 90 1HZ LYS 90 13.035 -1.261 9.767 788 HZ3 LYS 90 2HZ LYS 90 11.904 -0.514 8.767 789 H ARG 91 H ARG 91 9.608 2.311 6.743 790 HA ARG 91 HA ARG 91 8.884 2.798 9.383 791 HB2 ARG 91 2HB ARG 91 10.568 4.127 8.007 792 HB3 ARG 91 3HB ARG 91 9.207 4.974 7.273 793 HG2 ARG 91 2HG ARG 91 8.519 5.584 9.697 794 HG3 ARG 91 3HG ARG 91 10.135 5.043 10.159 795 HD2 ARG 91 2HD ARG 91 10.261 7.404 9.885 796 HD3 ARG 91 3HD ARG 91 11.049 6.718 8.461 797 HE ARG 91 HE ARG 91 8.356 7.942 8.562 798 HH11 ARG 91 1HH1 ARG 91 11.079 6.802 6.619 799 HH12 ARG 91 2HH1 ARG 91 10.491 7.533 5.158 800 HH21 ARG 91 1HH2 ARG 91 7.640 8.930 6.676 801 HH22 ARG 91 2HH2 ARG 91 8.527 8.748 5.195 802 H TRP 92 H TRP 92 7.246 3.977 6.397 803 HA TRP 92 HA TRP 92 5.113 5.289 7.550 804 HB2 TRP 92 2HB TRP 92 5.331 3.812 4.912 805 HB3 TRP 92 3HB TRP 92 3.880 4.699 5.350 806 HD1 TRP 92 HD1 TRP 92 7.145 5.190 3.658 807 HE1 TRP 92 HE1 TRP 92 7.503 7.682 3.149 808 HE3 TRP 92 HE3 TRP 92 3.466 7.168 6.602 809 HZ2 TRP 92 HZ2 TRP 92 6.379 10.157 3.881 810 HZ3 TRP 92 HZ3 TRP 92 3.166 9.611 6.647 811 HH2 TRP 92 HH2 TRP 92 4.598 11.081 5.310 812 H ILE 93 H ILE 93 5.496 1.812 7.135 813 HA ILE 93 HA ILE 93 2.734 1.088 7.480 814 HB ILE 93 HB ILE 93 5.314 -0.534 7.675 815 HG12 ILE 93 2HG1 ILE 93 3.169 -0.483 5.493 816 HG13 ILE 93 3HG1 ILE 93 4.724 0.339 5.408 817 HG21 ILE 93 1HG2 ILE 93 3.932 -2.588 7.610 818 HG22 ILE 93 2HG2 ILE 93 2.470 -1.613 7.775 819 HG23 ILE 93 3HG2 ILE 93 3.659 -1.652 9.079 820 HD11 ILE 93 3HD1 ILE 93 5.863 -1.832 5.521 821 HD12 ILE 93 1HD1 ILE 93 4.783 -1.688 4.131 822 HD13 ILE 93 2HD1 ILE 93 4.288 -2.638 5.534 823 H LYS 94 H LYS 94 5.635 1.019 9.598 824 HA LYS 94 HA LYS 94 4.370 0.141 11.956 825 HB2 LYS 94 2HB LYS 94 6.856 0.172 11.468 826 HB3 LYS 94 3HB LYS 94 6.848 1.911 11.713 827 HG2 LYS 94 2HG LYS 94 7.701 0.803 13.697 828 HG3 LYS 94 3HG LYS 94 6.153 1.565 14.074 829 HD2 LYS 94 2HD LYS 94 5.005 -0.546 14.065 830 HD3 LYS 94 3HD LYS 94 6.383 -1.379 13.344 831 HE2 LYS 94 2HE LYS 94 6.256 -1.947 15.692 832 HE3 LYS 94 3HE LYS 94 7.683 -0.945 15.440 833 HZ1 LYS 94 3HZ LYS 94 6.428 0.957 16.289 834 HZ2 LYS 94 1HZ LYS 94 6.480 -0.296 17.427 835 HZ3 LYS 94 2HZ LYS 94 5.075 -0.025 16.531 836 H GLU 95 H GLU 95 4.851 3.363 10.599 837 HA GLU 95 HA GLU 95 3.778 4.868 12.768 838 HB2 GLU 95 2HB GLU 95 4.039 5.558 9.811 839 HB3 GLU 95 3HB GLU 95 3.589 6.710 11.068 840 HG2 GLU 95 2HG GLU 95 5.774 6.422 12.148 841 HG3 GLU 95 3HG GLU 95 6.228 5.213 10.949 842 H PHE 96 H PHE 96 2.345 3.436 9.848 843 HA PHE 96 HA PHE 96 -0.182 4.715 9.941 844 HB2 PHE 96 2HB PHE 96 0.751 3.604 7.917 845 HB3 PHE 96 3HB PHE 96 0.563 2.038 8.681 846 HD1 PHE 96 HD1 PHE 96 -1.273 4.905 7.182 847 HD2 PHE 96 HD2 PHE 96 -1.581 0.907 8.648 848 HE1 PHE 96 HE1 PHE 96 -3.490 4.677 6.149 849 HE2 PHE 96 HE2 PHE 96 -3.798 0.694 7.617 850 HZ PHE 96 HZ PHE 96 -4.755 2.581 6.364 851 H SER 97 H SER 97 0.999 1.719 11.366 852 HA SER 97 HA SER 97 -1.532 0.784 12.321 853 HB2 SER 97 2HB SER 97 -0.107 -0.776 13.698 854 HB3 SER 97 3HB SER 97 0.259 -0.797 11.975 855 HG SER 97 HG SER 97 2.125 0.253 12.335 856 H GLU 98 H GLU 98 1.174 2.555 13.869 857 HA GLU 98 HA GLU 98 0.028 2.562 16.490 858 HB2 GLU 98 2HB GLU 98 2.288 4.239 15.316 859 HB3 GLU 98 3HB GLU 98 1.868 4.174 17.029 860 HG2 GLU 98 2HG GLU 98 2.291 1.659 16.925 861 HG3 GLU 98 3HG GLU 98 2.932 1.920 15.306 862 H GLU 99 H GLU 99 0.274 5.063 13.974 863 HA GLU 99 HA GLU 99 -1.325 7.034 15.300 864 HB2 GLU 99 2HB GLU 99 -0.655 6.747 12.333 865 HB3 GLU 99 3HB GLU 99 -1.354 8.179 13.087 866 HG2 GLU 99 2HG GLU 99 0.690 8.523 14.393 867 HG3 GLU 99 3HG GLU 99 1.387 7.046 13.726 868 H GLY 100 H GLY 100 -2.030 4.164 13.553 869 HA2 GLY 100 2HA GLY 100 -4.027 3.023 13.326 870 HA3 GLY 100 3HA GLY 100 -4.862 4.395 14.034 871 H GLY 101 H GLY 101 -2.875 5.343 11.474 872 HA2 GLY 101 2HA GLY 101 -3.226 5.857 9.254 873 HA3 GLY 101 3HA GLY 101 -4.736 4.966 9.289 874 H SER 102 H SER 102 -5.809 6.471 11.571 875 HA SER 102 HA SER 102 -6.970 8.638 10.030 876 HB2 SER 102 2HB SER 102 -8.393 6.978 11.253 877 HB3 SER 102 3HB SER 102 -7.749 7.571 12.781 878 HG SER 102 HG SER 102 -9.018 9.261 10.901 879 H LEU 103 H LEU 103 -5.142 10.058 10.054 880 HA LEU 103 HA LEU 103 -4.737 11.584 12.547 881 HB2 LEU 103 2HB LEU 103 -3.454 11.831 9.784 882 HB3 LEU 103 3HB LEU 103 -3.170 12.968 11.089 883 HG LEU 103 HG LEU 103 -2.274 10.989 12.462 884 HD11 LEU 103 1HD1 LEU 103 -1.447 9.030 11.244 885 HD12 LEU 103 2HD1 LEU 103 -2.253 9.593 9.778 886 HD13 LEU 103 3HD1 LEU 103 -3.205 9.145 11.194 887 HD21 LEU 103 3HD2 LEU 103 -0.048 11.082 11.445 888 HD22 LEU 103 1HD2 LEU 103 -0.799 12.675 11.485 889 HD23 LEU 103 2HD2 LEU 103 -0.734 11.772 9.970 890 H GLU 104 H GLU 104 -7.229 11.603 12.063 891 HA GLU 104 HA GLU 104 -8.050 13.981 10.490 892 HB2 GLU 104 2HB GLU 104 -9.613 11.361 10.761 893 HB3 GLU 104 3HB GLU 104 -10.050 12.750 9.765 894 HG2 GLU 104 2HG GLU 104 -8.213 12.319 8.251 895 HG3 GLU 104 3HG GLU 104 -7.571 11.065 9.312 896 H HIS 105 H HIS 105 -9.910 15.084 11.406 897 HA HIS 105 HA HIS 105 -10.520 14.754 14.195 898 HB2 HIS 105 2HB HIS 105 -12.053 16.257 12.015 899 HB3 HIS 105 3HB HIS 105 -12.391 16.367 13.741 900 HD1 HIS 105 HD1 HIS 105 -11.276 18.253 14.913 901 HD2 HIS 105 HD2 HIS 105 -9.289 17.250 11.395 902 HE1 HIS 105 HE1 HIS 105 -9.500 20.005 14.612 903 HE2 HIS 105 HE2 HIS 105 -8.374 19.432 12.439 904 H HIS 106 H HIS 106 -12.186 13.476 15.101 905 HA HIS 106 HA HIS 106 -12.949 11.213 13.557 906 HB2 HIS 106 2HB HIS 106 -12.408 11.157 16.035 907 HB3 HIS 106 3HB HIS 106 -13.976 11.901 16.346 908 HD1 HIS 106 HD1 HIS 106 -15.620 10.160 17.056 909 HD2 HIS 106 HD2 HIS 106 -12.901 8.669 14.280 910 HE1 HIS 106 HE1 HIS 106 -16.306 7.777 16.639 911 HE2 HIS 106 HE2 HIS 106 -14.581 6.865 15.057 912 H HIS 107 H HIS 107 -14.136 11.947 11.915 913 HA HIS 107 HA HIS 107 -16.567 13.473 12.101 914 HB2 HIS 107 2HB HIS 107 -16.654 12.929 9.573 915 HB3 HIS 107 3HB HIS 107 -15.244 13.824 10.130 916 HD1 HIS 107 HD1 HIS 107 -12.957 12.584 10.133 917 HD2 HIS 107 HD2 HIS 107 -16.095 10.333 8.592 918 HE1 HIS 107 HE1 HIS 107 -11.894 10.555 9.104 919 HE2 HIS 107 HE2 HIS 107 -13.812 9.152 8.301 920 H HIS 108 H HIS 108 -18.648 12.785 11.559 921 HA HIS 108 HA HIS 108 -19.306 10.186 12.675 922 HB2 HIS 108 2HB HIS 108 -21.158 12.381 11.641 923 HB3 HIS 108 3HB HIS 108 -21.663 10.952 12.533 924 HD1 HIS 108 HD1 HIS 108 -22.316 11.677 14.811 925 HD2 HIS 108 HD2 HIS 108 -18.984 13.751 13.455 926 HE1 HIS 108 HE1 HIS 108 -21.645 13.191 16.705 927 HE2 HIS 108 HE2 HIS 108 -19.505 14.265 15.933 928 H HIS 109 H HIS 109 -18.614 8.699 11.173 929 HA HIS 109 HA HIS 109 -20.238 8.264 8.798 930 HB2 HIS 109 2HB HIS 109 -18.459 9.723 7.927 931 HB3 HIS 109 3HB HIS 109 -17.221 8.705 8.640 932 HD1 HIS 109 HD1 HIS 109 -19.572 8.894 5.739 933 HD2 HIS 109 HD2 HIS 109 -16.547 6.416 7.143 934 HE1 HIS 109 HE1 HIS 109 -18.997 7.384 3.828 935 HE2 HIS 109 HE2 HIS 109 -17.293 5.788 4.749 936 H HIS 110 H HIS 110 -20.547 6.105 8.540 937 HA HIS 110 HA HIS 110 -18.759 4.194 9.921 938 HB2 HIS 110 2HB HIS 110 -21.788 4.365 10.086 939 HB3 HIS 110 3HB HIS 110 -20.971 2.822 10.312 940 HD1 HIS 110 HD1 HIS 110 -20.829 2.337 12.734 941 HD2 HIS 110 HD2 HIS 110 -20.274 6.384 11.971 942 HE1 HIS 110 HE1 HIS 110 -20.311 3.382 14.955 943 HE2 HIS 110 HE2 HIS 110 -19.900 5.808 14.462 Start of MODEL 7 1 H1 MET 1 1H MET 1 -10.851 -1.444 14.586 2 H2 MET 1 2H MET 1 -9.521 -2.304 13.995 3 H3 MET 1 3H MET 1 -11.070 -2.632 13.406 4 HA MET 1 HA MET 1 -11.230 -0.478 12.410 5 HB2 MET 1 2HB MET 1 -9.727 0.624 14.143 6 HB3 MET 1 3HB MET 1 -8.340 -0.054 13.301 7 HG2 MET 1 2HG MET 1 -8.597 2.245 12.646 8 HG3 MET 1 3HG MET 1 -9.028 1.237 11.262 9 HE1 MET 1 3HE MET 1 -10.013 3.734 10.416 10 HE2 MET 1 1HE MET 1 -9.801 4.475 12.002 11 HE3 MET 1 2HE MET 1 -11.378 4.520 11.210 12 H LEU 2 H LEU 2 -11.107 -0.843 10.255 13 HA LEU 2 HA LEU 2 -9.537 -3.004 9.207 14 HB2 LEU 2 2HB LEU 2 -11.281 -0.924 7.850 15 HB3 LEU 2 3HB LEU 2 -10.486 -2.214 6.977 16 HG LEU 2 HG LEU 2 -12.697 -2.496 9.041 17 HD11 LEU 2 1HD1 LEU 2 -14.009 -3.419 7.188 18 HD12 LEU 2 2HD1 LEU 2 -12.661 -3.155 6.078 19 HD13 LEU 2 3HD1 LEU 2 -13.468 -1.780 6.835 20 HD21 LEU 2 3HD2 LEU 2 -11.132 -4.341 9.374 21 HD22 LEU 2 1HD2 LEU 2 -11.179 -4.735 7.652 22 HD23 LEU 2 2HD2 LEU 2 -12.625 -4.927 8.650 23 H LEU 3 H LEU 3 -7.345 -2.724 9.123 24 HA LEU 3 HA LEU 3 -6.255 -0.348 7.713 25 HB2 LEU 3 2HB LEU 3 -4.883 -2.148 9.753 26 HB3 LEU 3 3HB LEU 3 -4.167 -0.745 8.973 27 HG LEU 3 HG LEU 3 -6.478 -0.705 10.952 28 HD11 LEU 3 1HD1 LEU 3 -3.617 0.248 11.275 29 HD12 LEU 3 2HD1 LEU 3 -4.311 -1.214 11.979 30 HD13 LEU 3 3HD1 LEU 3 -4.906 0.366 12.478 31 HD21 LEU 3 3HD2 LEU 3 -5.116 1.632 9.566 32 HD22 LEU 3 1HD2 LEU 3 -6.277 1.759 10.893 33 HD23 LEU 3 2HD2 LEU 3 -6.784 1.097 9.342 34 H TYR 4 H TYR 4 -5.397 -0.747 5.778 35 HA TYR 4 HA TYR 4 -4.366 -3.422 5.063 36 HB2 TYR 4 2HB TYR 4 -6.327 -1.719 3.443 37 HB3 TYR 4 3HB TYR 4 -5.476 -3.121 2.792 38 HD1 TYR 4 HD1 TYR 4 -6.077 -5.399 3.511 39 HD2 TYR 4 HD2 TYR 4 -8.163 -2.032 5.097 40 HE1 TYR 4 HE1 TYR 4 -7.763 -6.899 4.478 41 HE2 TYR 4 HE2 TYR 4 -9.848 -3.544 6.049 42 HH TYR 4 HH TYR 4 -10.723 -5.832 5.657 43 H VAL 5 H VAL 5 -2.647 -3.419 3.681 44 HA VAL 5 HA VAL 5 -1.469 -0.839 2.820 45 HB VAL 5 HB VAL 5 -0.009 -3.343 3.845 46 HG11 VAL 5 1HG1 VAL 5 1.208 -0.727 2.864 47 HG12 VAL 5 2HG1 VAL 5 1.304 -2.297 2.061 48 HG13 VAL 5 3HG1 VAL 5 2.089 -2.060 3.621 49 HG21 VAL 5 3HG2 VAL 5 0.737 -1.919 5.731 50 HG22 VAL 5 1HG2 VAL 5 -1.021 -2.051 5.676 51 HG23 VAL 5 2HG2 VAL 5 -0.232 -0.574 5.116 52 H LEU 6 H LEU 6 -1.021 -0.712 0.677 53 HA LEU 6 HA LEU 6 -0.916 -3.160 -1.009 54 HB2 LEU 6 2HB LEU 6 -1.730 -0.322 -1.805 55 HB3 LEU 6 3HB LEU 6 -1.656 -1.702 -2.891 56 HG LEU 6 HG LEU 6 -3.600 -1.316 -0.585 57 HD11 LEU 6 1HD1 LEU 6 -4.164 0.063 -2.537 58 HD12 LEU 6 2HD1 LEU 6 -5.352 -1.213 -2.294 59 HD13 LEU 6 3HD1 LEU 6 -4.144 -1.366 -3.574 60 HD21 LEU 6 3HD2 LEU 6 -3.049 -3.648 -0.713 61 HD22 LEU 6 1HD2 LEU 6 -3.306 -3.668 -2.461 62 HD23 LEU 6 2HD2 LEU 6 -4.666 -3.410 -1.366 63 H ILE 7 H ILE 7 1.115 -3.515 -1.884 64 HA ILE 7 HA ILE 7 2.990 -1.207 -1.953 65 HB ILE 7 HB ILE 7 3.671 -2.845 -0.272 66 HG12 ILE 7 2HG1 ILE 7 5.519 -2.899 -2.711 67 HG13 ILE 7 3HG1 ILE 7 5.433 -1.608 -1.516 68 HG21 ILE 7 1HG2 ILE 7 2.644 -4.886 -1.184 69 HG22 ILE 7 2HG2 ILE 7 4.345 -5.145 -0.800 70 HG23 ILE 7 3HG2 ILE 7 3.843 -4.923 -2.479 71 HD11 ILE 7 3HD1 ILE 7 6.249 -3.136 0.199 72 HD12 ILE 7 1HD1 ILE 7 7.358 -3.025 -1.165 73 HD13 ILE 7 2HD1 ILE 7 6.324 -4.439 -0.992 74 H ILE 8 H ILE 8 3.304 -0.502 -3.982 75 HA ILE 8 HA ILE 8 3.501 -2.426 -6.229 76 HB ILE 8 HB ILE 8 3.479 0.638 -6.400 77 HG12 ILE 8 2HG1 ILE 8 1.053 -1.206 -6.624 78 HG13 ILE 8 3HG1 ILE 8 1.385 -0.135 -5.273 79 HG21 ILE 8 1HG2 ILE 8 2.810 0.259 -8.755 80 HG22 ILE 8 2HG2 ILE 8 2.871 -1.486 -8.500 81 HG23 ILE 8 3HG2 ILE 8 4.348 -0.528 -8.394 82 HD11 ILE 8 3HD1 ILE 8 -0.305 0.758 -6.754 83 HD12 ILE 8 1HD1 ILE 8 0.831 0.738 -8.101 84 HD13 ILE 8 2HD1 ILE 8 1.117 1.791 -6.713 85 H SER 9 H SER 9 5.569 -3.224 -5.995 86 HA SER 9 HA SER 9 7.782 -1.520 -6.741 87 HB2 SER 9 2HB SER 9 7.753 -1.209 -4.256 88 HB3 SER 9 3HB SER 9 7.899 -2.953 -4.043 89 HG SER 9 HG SER 9 9.921 -1.835 -3.904 90 H ASN 10 H ASN 10 9.342 -2.661 -7.760 91 HA ASN 10 HA ASN 10 9.026 -5.542 -8.183 92 HB2 ASN 10 2HB ASN 10 10.917 -3.520 -9.470 93 HB3 ASN 10 3HB ASN 10 10.722 -5.201 -9.975 94 HD21 ASN 10 1HD2 ASN 10 8.867 -5.768 -11.163 95 HD22 ASN 10 2HD2 ASN 10 7.776 -4.594 -11.801 96 H ASP 11 H ASP 11 10.893 -3.362 -6.259 97 HA ASP 11 HA ASP 11 13.243 -4.956 -5.892 98 HB2 ASP 11 2HB ASP 11 12.022 -2.778 -4.134 99 HB3 ASP 11 3HB ASP 11 13.554 -3.567 -3.782 100 H LYS 12 H LYS 12 12.835 -7.036 -5.371 101 HA LYS 12 HA LYS 12 10.777 -8.000 -3.738 102 HB2 LYS 12 2HB LYS 12 13.444 -9.265 -4.492 103 HB3 LYS 12 3HB LYS 12 12.215 -10.114 -3.559 104 HG2 LYS 12 2HG LYS 12 11.822 -9.004 -6.354 105 HG3 LYS 12 3HG LYS 12 12.162 -10.689 -5.968 106 HD2 LYS 12 2HD LYS 12 9.701 -9.228 -4.925 107 HD3 LYS 12 3HD LYS 12 9.723 -10.082 -6.465 108 HE2 LYS 12 2HE LYS 12 8.745 -11.566 -4.861 109 HE3 LYS 12 3HE LYS 12 10.358 -12.182 -5.199 110 HZ1 LYS 12 3HZ LYS 12 9.842 -12.270 -2.847 111 HZ2 LYS 12 1HZ LYS 12 9.568 -10.603 -2.800 112 HZ3 LYS 12 2HZ LYS 12 11.117 -11.199 -3.115 113 H LYS 13 H LYS 13 14.053 -6.965 -2.925 114 HA LYS 13 HA LYS 13 14.164 -7.815 -0.245 115 HB2 LYS 13 2HB LYS 13 15.503 -5.468 -1.651 116 HB3 LYS 13 3HB LYS 13 15.829 -5.891 0.030 117 HG2 LYS 13 2HG LYS 13 16.529 -8.184 -0.768 118 HG3 LYS 13 3HG LYS 13 16.396 -7.580 -2.424 119 HD2 LYS 13 2HD LYS 13 18.146 -5.938 -2.033 120 HD3 LYS 13 3HD LYS 13 18.169 -6.309 -0.304 121 HE2 LYS 13 2HE LYS 13 20.064 -7.388 -1.269 122 HE3 LYS 13 3HE LYS 13 18.889 -8.652 -0.910 123 HZ1 LYS 13 3HZ LYS 13 19.911 -8.960 -3.069 124 HZ2 LYS 13 1HZ LYS 13 19.362 -7.447 -3.586 125 HZ3 LYS 13 2HZ LYS 13 18.255 -8.679 -3.236 126 H LEU 14 H LEU 14 12.967 -4.794 -1.713 127 HA LEU 14 HA LEU 14 12.228 -3.458 0.679 128 HB2 LEU 14 2HB LEU 14 12.592 -2.461 -1.626 129 HB3 LEU 14 3HB LEU 14 11.025 -3.073 -2.103 130 HG LEU 14 HG LEU 14 11.306 -1.113 0.216 131 HD11 LEU 14 1HD1 LEU 14 10.890 0.742 -1.354 132 HD12 LEU 14 2HD1 LEU 14 11.024 -0.374 -2.718 133 HD13 LEU 14 3HD1 LEU 14 12.420 -0.066 -1.682 134 HD21 LEU 14 3HD2 LEU 14 9.006 -0.468 -0.367 135 HD22 LEU 14 1HD2 LEU 14 9.112 -2.186 0.013 136 HD23 LEU 14 2HD2 LEU 14 8.988 -1.665 -1.671 137 H ILE 15 H ILE 15 10.484 -5.713 -1.441 138 HA ILE 15 HA ILE 15 7.905 -5.500 -0.247 139 HB ILE 15 HB ILE 15 9.107 -7.829 -1.826 140 HG12 ILE 15 2HG1 ILE 15 7.312 -5.551 -2.821 141 HG13 ILE 15 3HG1 ILE 15 9.046 -5.654 -3.093 142 HG21 ILE 15 1HG2 ILE 15 7.152 -8.573 -0.543 143 HG22 ILE 15 2HG2 ILE 15 6.763 -8.520 -2.260 144 HG23 ILE 15 3HG2 ILE 15 6.185 -7.242 -1.186 145 HD11 ILE 15 3HD1 ILE 15 8.705 -7.722 -4.386 146 HD12 ILE 15 1HD1 ILE 15 7.846 -6.338 -5.061 147 HD13 ILE 15 2HD1 ILE 15 6.962 -7.559 -4.150 148 H GLU 16 H GLU 16 10.666 -7.682 0.302 149 HA GLU 16 HA GLU 16 9.468 -9.323 2.276 150 HB2 GLU 16 2HB GLU 16 12.437 -8.654 2.056 151 HB3 GLU 16 3HB GLU 16 11.733 -10.019 2.910 152 HG2 GLU 16 2HG GLU 16 11.932 -9.583 -0.065 153 HG3 GLU 16 3HG GLU 16 12.677 -10.849 0.891 154 H GLU 17 H GLU 17 11.479 -6.391 2.526 155 HA GLU 17 HA GLU 17 11.627 -6.133 5.307 156 HB2 GLU 17 2HB GLU 17 11.696 -4.046 3.098 157 HB3 GLU 17 3HB GLU 17 11.981 -3.645 4.785 158 HG2 GLU 17 2HG GLU 17 13.645 -5.514 3.083 159 HG3 GLU 17 3HG GLU 17 14.081 -3.879 3.575 160 H ALA 18 H ALA 18 9.226 -4.911 3.027 161 HA ALA 18 HA ALA 18 7.662 -3.407 4.870 162 HB1 ALA 18 3HB ALA 18 6.919 -4.547 2.150 163 HB2 ALA 18 1HB ALA 18 7.660 -2.973 2.447 164 HB3 ALA 18 2HB ALA 18 6.025 -3.299 3.025 165 H ARG 19 H ARG 19 7.427 -6.688 3.532 166 HA ARG 19 HA ARG 19 4.953 -7.454 4.646 167 HB2 ARG 19 2HB ARG 19 5.937 -8.706 2.806 168 HB3 ARG 19 3HB ARG 19 7.329 -9.156 3.784 169 HG2 ARG 19 2HG ARG 19 5.900 -10.556 5.212 170 HG3 ARG 19 3HG ARG 19 4.469 -10.062 4.302 171 HD2 ARG 19 2HD ARG 19 6.839 -11.598 3.164 172 HD3 ARG 19 3HD ARG 19 5.289 -12.308 3.629 173 HE ARG 19 HE ARG 19 4.240 -10.973 1.869 174 HH11 ARG 19 1HH1 ARG 19 7.730 -11.375 1.614 175 HH12 ARG 19 2HH1 ARG 19 7.764 -11.092 -0.096 176 HH21 ARG 19 1HH2 ARG 19 4.296 -10.639 -0.375 177 HH22 ARG 19 2HH2 ARG 19 5.806 -10.676 -1.226 178 H LYS 20 H LYS 20 8.272 -7.864 5.867 179 HA LYS 20 HA LYS 20 7.613 -9.430 8.154 180 HB2 LYS 20 2HB LYS 20 10.075 -7.703 7.626 181 HB3 LYS 20 3HB LYS 20 9.932 -8.849 8.955 182 HG2 LYS 20 2HG LYS 20 9.920 -9.529 5.994 183 HG3 LYS 20 3HG LYS 20 11.262 -9.779 7.108 184 HD2 LYS 20 2HD LYS 20 8.546 -11.132 7.323 185 HD3 LYS 20 3HD LYS 20 9.974 -11.860 6.585 186 HE2 LYS 20 2HE LYS 20 11.146 -11.839 8.712 187 HE3 LYS 20 3HE LYS 20 9.832 -10.939 9.475 188 HZ1 LYS 20 3HZ LYS 20 9.663 -13.700 8.399 189 HZ2 LYS 20 1HZ LYS 20 8.366 -12.831 9.049 190 HZ3 LYS 20 2HZ LYS 20 9.676 -13.257 10.025 191 H MET 21 H MET 21 7.809 -5.962 7.585 192 HA MET 21 HA MET 21 7.350 -5.105 10.283 193 HB2 MET 21 2HB MET 21 7.034 -3.772 7.568 194 HB3 MET 21 3HB MET 21 6.518 -2.952 9.040 195 HG2 MET 21 2HG MET 21 9.314 -3.913 8.427 196 HG3 MET 21 3HG MET 21 8.739 -2.247 8.387 197 HE1 MET 21 3HE MET 21 7.907 -1.700 12.244 198 HE2 MET 21 1HE MET 21 6.793 -2.332 11.026 199 HE3 MET 21 2HE MET 21 7.841 -0.960 10.646 200 H ALA 22 H ALA 22 5.243 -5.722 7.492 201 HA ALA 22 HA ALA 22 2.831 -4.843 8.634 202 HB1 ALA 22 3HB ALA 22 3.231 -6.871 6.408 203 HB2 ALA 22 1HB ALA 22 3.148 -5.119 6.212 204 HB3 ALA 22 2HB ALA 22 1.730 -6.010 6.772 205 H GLU 23 H GLU 23 4.419 -8.017 8.686 206 HA GLU 23 HA GLU 23 2.398 -9.542 9.925 207 HB2 GLU 23 2HB GLU 23 5.430 -9.815 10.141 208 HB3 GLU 23 3HB GLU 23 4.283 -11.032 10.702 209 HG2 GLU 23 2HG GLU 23 3.488 -11.374 8.405 210 HG3 GLU 23 3HG GLU 23 4.580 -10.119 7.818 211 H LYS 24 H LYS 24 5.109 -7.720 11.338 212 HA LYS 24 HA LYS 24 4.524 -8.150 14.075 213 HB2 LYS 24 2HB LYS 24 6.020 -5.846 12.748 214 HB3 LYS 24 3HB LYS 24 6.044 -6.200 14.476 215 HG2 LYS 24 2HG LYS 24 7.129 -8.379 14.013 216 HG3 LYS 24 3HG LYS 24 7.102 -8.019 12.283 217 HD2 LYS 24 2HD LYS 24 8.555 -6.024 12.709 218 HD3 LYS 24 3HD LYS 24 8.623 -6.468 14.420 219 HE2 LYS 24 2HE LYS 24 10.635 -7.235 13.285 220 HE3 LYS 24 3HE LYS 24 9.683 -8.630 13.792 221 HZ1 LYS 24 3HZ LYS 24 8.859 -8.840 11.528 222 HZ2 LYS 24 1HZ LYS 24 10.548 -8.890 11.554 223 HZ3 LYS 24 2HZ LYS 24 9.751 -7.488 11.047 224 H ALA 25 H ALA 25 3.356 -5.831 11.736 225 HA ALA 25 HA ALA 25 1.982 -4.132 13.658 226 HB1 ALA 25 3HB ALA 25 3.209 -3.159 11.781 227 HB2 ALA 25 1HB ALA 25 1.492 -2.782 11.644 228 HB3 ALA 25 2HB ALA 25 2.202 -4.039 10.629 229 H ASN 26 H ASN 26 1.246 -6.932 11.829 230 HA ASN 26 HA ASN 26 -0.579 -8.201 11.472 231 HB2 ASN 26 2HB ASN 26 -0.928 -7.749 13.940 232 HB3 ASN 26 3HB ASN 26 -1.994 -6.419 13.511 233 HD21 ASN 26 1HD2 ASN 26 -3.710 -7.413 14.655 234 HD22 ASN 26 2HD2 ASN 26 -4.537 -8.807 14.052 235 H LEU 27 H LEU 27 -0.070 -5.966 9.764 236 HA LEU 27 HA LEU 27 -2.709 -5.016 8.848 237 HB2 LEU 27 2HB LEU 27 0.038 -4.221 7.802 238 HB3 LEU 27 3HB LEU 27 -1.492 -3.410 7.494 239 HG LEU 27 HG LEU 27 -0.011 -3.516 10.144 240 HD11 LEU 27 1HD1 LEU 27 0.321 -1.096 9.840 241 HD12 LEU 27 2HD1 LEU 27 -0.432 -1.195 8.246 242 HD13 LEU 27 3HD1 LEU 27 1.085 -2.038 8.559 243 HD21 LEU 27 3HD2 LEU 27 -2.628 -2.137 9.511 244 HD22 LEU 27 1HD2 LEU 27 -1.706 -1.947 11.006 245 HD23 LEU 27 2HD2 LEU 27 -2.394 -3.514 10.589 246 H GLU 28 H GLU 28 -3.534 -5.558 6.800 247 HA GLU 28 HA GLU 28 -2.497 -7.974 5.564 248 HB2 GLU 28 2HB GLU 28 -4.946 -6.260 5.016 249 HB3 GLU 28 3HB GLU 28 -4.551 -7.683 4.058 250 HG2 GLU 28 2HG GLU 28 -5.091 -7.691 7.048 251 HG3 GLU 28 3HG GLU 28 -6.267 -8.095 5.798 252 H LEU 29 H LEU 29 -0.805 -7.742 4.246 253 HA LEU 29 HA LEU 29 -0.497 -5.316 2.589 254 HB2 LEU 29 2HB LEU 29 1.336 -5.849 4.144 255 HB3 LEU 29 3HB LEU 29 1.540 -7.432 3.425 256 HG LEU 29 HG LEU 29 1.866 -5.018 1.625 257 HD11 LEU 29 1HD1 LEU 29 4.214 -4.727 2.254 258 HD12 LEU 29 2HD1 LEU 29 4.029 -5.904 3.561 259 HD13 LEU 29 3HD1 LEU 29 3.142 -4.377 3.609 260 HD21 LEU 29 3HD2 LEU 29 3.304 -7.695 1.745 261 HD22 LEU 29 1HD2 LEU 29 3.613 -6.415 0.568 262 HD23 LEU 29 2HD2 LEU 29 2.050 -7.220 0.598 263 H ARG 30 H ARG 30 -1.064 -5.521 0.532 264 HA ARG 30 HA ARG 30 -1.210 -8.177 -0.765 265 HB2 ARG 30 2HB ARG 30 -2.480 -5.568 -1.704 266 HB3 ARG 30 3HB ARG 30 -2.787 -7.177 -2.336 267 HG2 ARG 30 2HG ARG 30 -3.587 -6.177 0.415 268 HG3 ARG 30 3HG ARG 30 -4.648 -6.298 -0.987 269 HD2 ARG 30 2HD ARG 30 -4.133 -8.803 -0.987 270 HD3 ARG 30 3HD ARG 30 -3.399 -8.553 0.605 271 HE ARG 30 HE ARG 30 -6.220 -7.833 0.002 272 HH11 ARG 30 1HH1 ARG 30 -3.916 -9.449 2.125 273 HH12 ARG 30 2HH1 ARG 30 -5.124 -9.858 3.307 274 HH21 ARG 30 1HH2 ARG 30 -7.782 -8.392 1.513 275 HH22 ARG 30 2HH2 ARG 30 -7.332 -9.253 2.953 276 H THR 31 H THR 31 0.323 -8.566 -2.339 277 HA THR 31 HA THR 31 2.217 -6.460 -3.028 278 HB THR 31 HB THR 31 3.412 -8.329 -4.245 279 HG1 THR 31 HG1 THR 31 1.911 -9.821 -4.760 280 HG21 THR 31 3HG2 THR 31 4.116 -9.551 -2.228 281 HG22 THR 31 1HG2 THR 31 2.701 -8.957 -1.354 282 HG23 THR 31 2HG2 THR 31 3.954 -7.829 -1.877 283 H VAL 32 H VAL 32 1.704 -5.118 -4.610 284 HA VAL 32 HA VAL 32 -0.175 -5.815 -6.740 285 HB VAL 32 HB VAL 32 1.195 -3.139 -6.167 286 HG11 VAL 32 1HG1 VAL 32 -1.256 -3.739 -7.869 287 HG12 VAL 32 2HG1 VAL 32 0.354 -3.339 -8.470 288 HG13 VAL 32 3HG1 VAL 32 -0.564 -2.142 -7.558 289 HG21 VAL 32 3HG2 VAL 32 -0.872 -2.430 -5.031 290 HG22 VAL 32 1HG2 VAL 32 -0.148 -3.821 -4.221 291 HG23 VAL 32 2HG2 VAL 32 -1.565 -4.040 -5.250 292 H LYS 33 H LYS 33 0.426 -6.042 -8.837 293 HA LYS 33 HA LYS 33 3.292 -5.972 -9.565 294 HB2 LYS 33 2HB LYS 33 0.951 -7.339 -10.992 295 HB3 LYS 33 3HB LYS 33 2.665 -7.536 -11.361 296 HG2 LYS 33 2HG LYS 33 3.043 -8.673 -9.239 297 HG3 LYS 33 3HG LYS 33 1.383 -8.345 -8.732 298 HD2 LYS 33 2HD LYS 33 0.552 -9.767 -10.607 299 HD3 LYS 33 3HD LYS 33 2.225 -10.128 -11.050 300 HE2 LYS 33 2HE LYS 33 2.573 -11.191 -8.839 301 HE3 LYS 33 3HE LYS 33 0.899 -10.829 -8.404 302 HZ1 LYS 33 3HZ LYS 33 1.144 -13.103 -9.161 303 HZ2 LYS 33 1HZ LYS 33 1.765 -12.583 -10.643 304 HZ3 LYS 33 2HZ LYS 33 0.165 -12.240 -10.234 305 H THR 34 H THR 34 0.103 -5.416 -11.088 306 HA THR 34 HA THR 34 1.176 -3.096 -12.602 307 HB THR 34 HB THR 34 -0.446 -3.705 -14.399 308 HG1 THR 34 HG1 THR 34 -1.795 -5.380 -14.183 309 HG21 THR 34 3HG2 THR 34 0.694 -5.733 -15.255 310 HG22 THR 34 1HG2 THR 34 1.420 -5.996 -13.672 311 HG23 THR 34 2HG2 THR 34 1.856 -4.566 -14.614 312 H GLU 35 H GLU 35 -0.869 -1.728 -13.452 313 HA GLU 35 HA GLU 35 -2.096 -0.614 -11.159 314 HB2 GLU 35 2HB GLU 35 -3.287 0.884 -12.663 315 HB3 GLU 35 3HB GLU 35 -1.617 0.707 -13.186 316 HG2 GLU 35 2HG GLU 35 -2.291 -0.785 -14.992 317 HG3 GLU 35 3HG GLU 35 -3.960 -0.758 -14.430 318 H ASP 36 H ASP 36 -3.196 -3.078 -13.414 319 HA ASP 36 HA ASP 36 -5.940 -3.072 -12.624 320 HB2 ASP 36 2HB ASP 36 -4.226 -5.002 -14.181 321 HB3 ASP 36 3HB ASP 36 -5.816 -5.522 -13.639 322 H GLU 37 H GLU 37 -3.048 -4.708 -11.367 323 HA GLU 37 HA GLU 37 -4.396 -6.434 -9.545 324 HB2 GLU 37 2HB GLU 37 -1.601 -5.230 -9.391 325 HB3 GLU 37 3HB GLU 37 -2.207 -6.478 -8.305 326 HG2 GLU 37 2HG GLU 37 -1.887 -6.770 -11.304 327 HG3 GLU 37 3HG GLU 37 -0.751 -7.361 -10.099 328 H LEU 38 H LEU 38 -3.165 -3.119 -9.342 329 HA LEU 38 HA LEU 38 -3.664 -2.546 -6.632 330 HB2 LEU 38 2HB LEU 38 -2.288 -1.224 -8.368 331 HB3 LEU 38 3HB LEU 38 -3.793 -0.558 -8.953 332 HG LEU 38 HG LEU 38 -2.406 0.939 -7.430 333 HD11 LEU 38 1HD1 LEU 38 -4.271 1.885 -6.174 334 HD12 LEU 38 2HD1 LEU 38 -5.234 0.437 -6.479 335 HD13 LEU 38 3HD1 LEU 38 -4.745 1.475 -7.821 336 HD21 LEU 38 3HD2 LEU 38 -1.666 -0.752 -5.814 337 HD22 LEU 38 1HD2 LEU 38 -3.321 -0.928 -5.221 338 HD23 LEU 38 2HD2 LEU 38 -2.460 0.599 -5.011 339 H LYS 39 H LYS 39 -5.644 -2.153 -9.540 340 HA LYS 39 HA LYS 39 -7.961 -1.006 -8.433 341 HB2 LYS 39 2HB LYS 39 -7.510 -2.691 -10.933 342 HB3 LYS 39 3HB LYS 39 -9.072 -1.973 -10.547 343 HG2 LYS 39 2HG LYS 39 -8.257 0.244 -10.826 344 HG3 LYS 39 3HG LYS 39 -6.574 -0.282 -10.781 345 HD2 LYS 39 2HD LYS 39 -7.211 0.294 -13.074 346 HD3 LYS 39 3HD LYS 39 -6.864 -1.431 -12.956 347 HE2 LYS 39 2HE LYS 39 -9.343 -1.848 -12.792 348 HE3 LYS 39 3HE LYS 39 -9.602 -0.128 -13.085 349 HZ1 LYS 39 3HZ LYS 39 -9.799 -1.434 -15.118 350 HZ2 LYS 39 1HZ LYS 39 -8.217 -1.998 -14.940 351 HZ3 LYS 39 2HZ LYS 39 -8.503 -0.358 -15.218 352 H LYS 40 H LYS 40 -7.126 -4.458 -9.006 353 HA LYS 40 HA LYS 40 -9.700 -5.433 -8.286 354 HB2 LYS 40 2HB LYS 40 -8.870 -7.664 -8.503 355 HB3 LYS 40 3HB LYS 40 -8.135 -6.699 -9.772 356 HG2 LYS 40 2HG LYS 40 -6.041 -6.590 -8.460 357 HG3 LYS 40 3HG LYS 40 -6.779 -7.594 -7.212 358 HD2 LYS 40 2HD LYS 40 -6.237 -8.411 -10.099 359 HD3 LYS 40 3HD LYS 40 -5.331 -8.941 -8.681 360 HE2 LYS 40 2HE LYS 40 -8.258 -9.537 -9.226 361 HE3 LYS 40 3HE LYS 40 -6.920 -10.658 -9.465 362 HZ1 LYS 40 3HZ LYS 40 -6.462 -10.548 -7.095 363 HZ2 LYS 40 1HZ LYS 40 -8.039 -11.070 -7.386 364 HZ3 LYS 40 2HZ LYS 40 -7.757 -9.491 -6.870 365 H TYR 41 H TYR 41 -6.774 -4.877 -6.430 366 HA TYR 41 HA TYR 41 -7.669 -6.118 -4.016 367 HB2 TYR 41 2HB TYR 41 -5.633 -3.893 -4.441 368 HB3 TYR 41 3HB TYR 41 -5.903 -4.703 -2.901 369 HD1 TYR 41 HD1 TYR 41 -6.262 -7.558 -3.934 370 HD2 TYR 41 HD2 TYR 41 -3.358 -4.566 -4.886 371 HE1 TYR 41 HE1 TYR 41 -4.662 -9.305 -4.554 372 HE2 TYR 41 HE2 TYR 41 -1.761 -6.332 -5.513 373 HH TYR 41 HH TYR 41 -1.354 -8.697 -5.089 374 H LEU 42 H LEU 42 -7.950 -2.819 -5.319 375 HA LEU 42 HA LEU 42 -9.415 -1.700 -3.163 376 HB2 LEU 42 2HB LEU 42 -9.387 -0.943 -6.107 377 HB3 LEU 42 3HB LEU 42 -10.126 0.028 -4.845 378 HG LEU 42 HG LEU 42 -7.152 -0.588 -5.093 379 HD11 LEU 42 1HD1 LEU 42 -8.646 2.011 -5.587 380 HD12 LEU 42 2HD1 LEU 42 -7.939 0.965 -6.820 381 HD13 LEU 42 3HD1 LEU 42 -6.894 1.787 -5.666 382 HD21 LEU 42 3HD2 LEU 42 -8.584 1.158 -3.057 383 HD22 LEU 42 1HD2 LEU 42 -6.832 1.014 -3.242 384 HD23 LEU 42 2HD2 LEU 42 -7.780 -0.381 -2.736 385 H GLU 43 H GLU 43 -10.541 -3.491 -6.073 386 HA GLU 43 HA GLU 43 -13.308 -3.293 -5.894 387 HB2 GLU 43 2HB GLU 43 -11.690 -5.817 -6.499 388 HB3 GLU 43 3HB GLU 43 -13.402 -5.642 -6.840 389 HG2 GLU 43 2HG GLU 43 -11.337 -3.835 -8.107 390 HG3 GLU 43 3HG GLU 43 -11.705 -5.418 -8.774 391 H GLU 44 H GLU 44 -11.123 -5.495 -4.240 392 HA GLU 44 HA GLU 44 -12.935 -6.942 -2.641 393 HB2 GLU 44 2HB GLU 44 -10.684 -7.748 -3.103 394 HB3 GLU 44 3HB GLU 44 -9.959 -6.325 -2.366 395 HG2 GLU 44 2HG GLU 44 -10.846 -7.053 -0.162 396 HG3 GLU 44 3HG GLU 44 -11.490 -8.507 -0.926 397 H PHE 45 H PHE 45 -11.062 -3.963 -2.012 398 HA PHE 45 HA PHE 45 -11.872 -3.726 0.715 399 HB2 PHE 45 2HB PHE 45 -10.636 -1.653 -1.124 400 HB3 PHE 45 3HB PHE 45 -10.794 -1.490 0.621 401 HD1 PHE 45 HD2 PHE 45 -10.051 -4.668 0.909 402 HD2 PHE 45 HD1 PHE 45 -8.205 -1.231 -0.857 403 HE1 PHE 45 HE2 PHE 45 -7.841 -5.714 1.160 404 HE2 PHE 45 HE1 PHE 45 -6.005 -2.294 -0.593 405 HZ PHE 45 HZ PHE 45 -5.815 -4.533 0.411 406 H ARG 46 H ARG 46 -13.530 -2.809 -2.201 407 HA ARG 46 HA ARG 46 -14.979 -0.566 -1.132 408 HB2 ARG 46 2HB ARG 46 -15.632 -2.326 -3.519 409 HB3 ARG 46 3HB ARG 46 -16.523 -0.871 -3.084 410 HG2 ARG 46 2HG ARG 46 -14.416 0.449 -3.419 411 HG3 ARG 46 3HG ARG 46 -13.640 -1.027 -4.000 412 HD2 ARG 46 2HD ARG 46 -15.974 0.453 -5.238 413 HD3 ARG 46 3HD ARG 46 -14.377 0.172 -5.937 414 HE ARG 46 HE ARG 46 -16.147 -2.113 -5.352 415 HH11 ARG 46 1HH1 ARG 46 -14.530 -0.153 -7.791 416 HH12 ARG 46 2HH1 ARG 46 -14.832 -1.298 -9.057 417 HH21 ARG 46 1HH2 ARG 46 -16.518 -3.582 -6.992 418 HH22 ARG 46 2HH2 ARG 46 -15.966 -3.250 -8.600 419 H LYS 47 H LYS 47 -15.665 -4.045 -1.373 420 HA LYS 47 HA LYS 47 -18.397 -4.005 -0.634 421 HB2 LYS 47 2HB LYS 47 -18.212 -6.392 -0.221 422 HB3 LYS 47 3HB LYS 47 -17.210 -6.011 -1.618 423 HG2 LYS 47 2HG LYS 47 -15.204 -6.049 -0.176 424 HG3 LYS 47 3HG LYS 47 -16.209 -6.448 1.213 425 HD2 LYS 47 2HD LYS 47 -16.820 -8.599 0.183 426 HD3 LYS 47 3HD LYS 47 -15.896 -8.187 -1.266 427 HE2 LYS 47 2HE LYS 47 -13.812 -8.176 0.036 428 HE3 LYS 47 3HE LYS 47 -14.707 -8.520 1.518 429 HZ1 LYS 47 3HZ LYS 47 -14.484 -10.308 -0.845 430 HZ2 LYS 47 1HZ LYS 47 -15.390 -10.645 0.535 431 HZ3 LYS 47 2HZ LYS 47 -13.714 -10.517 0.636 432 H GLU 48 H GLU 48 -15.566 -3.484 1.161 433 HA GLU 48 HA GLU 48 -16.938 -3.488 3.765 434 HB2 GLU 48 2HB GLU 48 -14.734 -4.339 4.712 435 HB3 GLU 48 3HB GLU 48 -15.589 -5.511 3.708 436 HG2 GLU 48 2HG GLU 48 -14.110 -4.919 1.790 437 HG3 GLU 48 3HG GLU 48 -13.240 -3.790 2.836 438 H SER 49 H SER 49 -16.461 -1.325 1.849 439 HA SER 49 HA SER 49 -14.291 0.311 2.828 440 HB2 SER 49 2HB SER 49 -15.147 0.455 0.469 441 HB3 SER 49 3HB SER 49 -16.647 1.146 1.086 442 HG SER 49 HG SER 49 -15.646 2.996 1.491 443 H GLN 50 H GLN 50 -14.945 0.013 5.056 444 HA GLN 50 HA GLN 50 -16.655 2.121 6.133 445 HB2 GLN 50 2HB GLN 50 -17.836 0.475 7.661 446 HB3 GLN 50 3HB GLN 50 -18.293 0.320 5.971 447 HG2 GLN 50 2HG GLN 50 -16.907 -1.672 5.727 448 HG3 GLN 50 3HG GLN 50 -16.285 -1.480 7.364 449 HE21 GLN 50 1HE2 GLN 50 -17.667 -1.923 9.124 450 HE22 GLN 50 2HE2 GLN 50 -19.048 -2.948 8.948 451 H ASN 51 H ASN 51 -15.281 3.094 7.466 452 HA ASN 51 HA ASN 51 -13.736 3.563 9.077 453 HB2 ASN 51 2HB ASN 51 -14.001 0.696 10.089 454 HB3 ASN 51 3HB ASN 51 -13.567 2.134 11.007 455 HD21 ASN 51 1HD2 ASN 51 -15.691 0.102 11.365 456 HD22 ASN 51 2HD2 ASN 51 -17.165 0.997 11.484 457 H ILE 52 H ILE 52 -12.986 2.316 6.473 458 HA ILE 52 HA ILE 52 -10.650 0.658 7.064 459 HB ILE 52 HB ILE 52 -12.303 -0.140 5.371 460 HG12 ILE 52 2HG1 ILE 52 -9.583 0.462 4.101 461 HG13 ILE 52 3HG1 ILE 52 -9.895 -0.846 5.239 462 HG21 ILE 52 1HG2 ILE 52 -12.497 0.913 3.164 463 HG22 ILE 52 2HG2 ILE 52 -11.438 2.228 3.676 464 HG23 ILE 52 3HG2 ILE 52 -13.015 2.016 4.439 465 HD11 ILE 52 3HD1 ILE 52 -9.838 -1.686 2.986 466 HD12 ILE 52 1HD1 ILE 52 -11.096 -0.555 2.485 467 HD13 ILE 52 2HD1 ILE 52 -11.470 -1.845 3.633 468 H LYS 53 H LYS 53 -8.619 1.236 6.556 469 HA LYS 53 HA LYS 53 -8.014 3.829 5.294 470 HB2 LYS 53 2HB LYS 53 -6.750 2.628 7.803 471 HB3 LYS 53 3HB LYS 53 -6.042 3.963 6.904 472 HG2 LYS 53 2HG LYS 53 -7.783 5.463 7.551 473 HG3 LYS 53 3HG LYS 53 -8.812 4.144 8.114 474 HD2 LYS 53 2HD LYS 53 -7.781 5.418 9.995 475 HD3 LYS 53 3HD LYS 53 -7.346 3.710 10.003 476 HE2 LYS 53 2HE LYS 53 -5.362 4.933 10.529 477 HE3 LYS 53 3HE LYS 53 -5.170 4.352 8.879 478 HZ1 LYS 53 3HZ LYS 53 -4.452 6.654 9.154 479 HZ2 LYS 53 1HZ LYS 53 -6.006 7.091 9.647 480 HZ3 LYS 53 2HZ LYS 53 -5.747 6.550 8.075 481 H VAL 54 H VAL 54 -6.834 3.375 3.528 482 HA VAL 54 HA VAL 54 -5.160 0.924 3.426 483 HB VAL 54 HB VAL 54 -6.281 2.575 1.105 484 HG11 VAL 54 1HG1 VAL 54 -4.737 -0.046 1.022 485 HG12 VAL 54 2HG1 VAL 54 -4.144 1.533 0.501 486 HG13 VAL 54 3HG1 VAL 54 -5.473 0.765 -0.366 487 HG21 VAL 54 3HG2 VAL 54 -7.790 0.663 0.674 488 HG22 VAL 54 1HG2 VAL 54 -8.066 1.341 2.280 489 HG23 VAL 54 2HG2 VAL 54 -7.167 -0.169 2.103 490 H LEU 55 H LEU 55 -2.983 1.133 3.028 491 HA LEU 55 HA LEU 55 -1.848 3.830 2.498 492 HB2 LEU 55 2HB LEU 55 -1.416 3.110 4.837 493 HB3 LEU 55 3HB LEU 55 -0.722 1.605 4.256 494 HG LEU 55 HG LEU 55 1.104 2.922 3.142 495 HD11 LEU 55 1HD1 LEU 55 1.513 5.248 3.756 496 HD12 LEU 55 2HD1 LEU 55 -0.026 5.310 4.620 497 HD13 LEU 55 3HD1 LEU 55 -0.001 5.072 2.871 498 HD21 LEU 55 3HD2 LEU 55 2.381 3.360 5.183 499 HD22 LEU 55 1HD2 LEU 55 1.470 1.859 5.317 500 HD23 LEU 55 2HD2 LEU 55 0.902 3.310 6.146 501 H ILE 56 H ILE 56 -1.078 3.803 0.460 502 HA ILE 56 HA ILE 56 -0.123 1.291 -0.752 503 HB ILE 56 HB ILE 56 -0.835 3.905 -2.188 504 HG12 ILE 56 2HG1 ILE 56 -2.494 1.343 -1.922 505 HG13 ILE 56 3HG1 ILE 56 -2.863 2.889 -1.173 506 HG21 ILE 56 1HG2 ILE 56 0.808 2.528 -3.419 507 HG22 ILE 56 2HG2 ILE 56 -0.739 2.551 -4.260 508 HG23 ILE 56 3HG2 ILE 56 -0.268 1.129 -3.327 509 HD11 ILE 56 3HD1 ILE 56 -3.222 3.870 -3.393 510 HD12 ILE 56 1HD1 ILE 56 -4.273 2.488 -3.090 511 HD13 ILE 56 2HD1 ILE 56 -2.865 2.307 -4.133 512 H LEU 57 H LEU 57 2.033 1.038 -0.706 513 HA LEU 57 HA LEU 57 3.878 3.352 -0.728 514 HB2 LEU 57 2HB LEU 57 4.374 0.419 -0.005 515 HB3 LEU 57 3HB LEU 57 5.638 1.625 -0.128 516 HG LEU 57 HG LEU 57 5.246 1.330 2.186 517 HD11 LEU 57 1HD1 LEU 57 4.496 3.518 2.979 518 HD12 LEU 57 2HD1 LEU 57 3.792 3.865 1.398 519 HD13 LEU 57 3HD1 LEU 57 5.537 3.662 1.564 520 HD21 LEU 57 3HD2 LEU 57 2.260 1.672 1.737 521 HD22 LEU 57 1HD2 LEU 57 3.063 1.451 3.296 522 HD23 LEU 57 2HD2 LEU 57 3.096 0.160 2.100 523 H VAL 58 H VAL 58 4.452 3.836 -2.748 524 HA VAL 58 HA VAL 58 4.687 1.734 -4.821 525 HB VAL 58 HB VAL 58 4.447 3.516 -6.484 526 HG11 VAL 58 1HG1 VAL 58 2.383 2.491 -5.639 527 HG12 VAL 58 2HG1 VAL 58 2.106 4.173 -6.088 528 HG13 VAL 58 3HG1 VAL 58 2.254 3.726 -4.385 529 HG21 VAL 58 3HG2 VAL 58 3.998 5.851 -5.873 530 HG22 VAL 58 1HG2 VAL 58 5.564 5.340 -5.254 531 HG23 VAL 58 2HG2 VAL 58 4.183 5.464 -4.163 532 H SER 59 H SER 59 6.480 2.032 -6.373 533 HA SER 59 HA SER 59 8.941 3.043 -5.110 534 HB2 SER 59 2HB SER 59 10.055 1.772 -7.003 535 HB3 SER 59 3HB SER 59 9.080 0.771 -5.929 536 HG SER 59 HG SER 59 8.855 0.559 -8.349 537 H ASN 60 H ASN 60 6.873 3.518 -7.920 538 HA ASN 60 HA ASN 60 8.675 5.561 -9.077 539 HB2 ASN 60 2HB ASN 60 6.350 4.041 -10.345 540 HB3 ASN 60 3HB ASN 60 7.429 5.150 -11.184 541 HD21 ASN 60 1HD2 ASN 60 6.847 2.220 -11.562 542 HD22 ASN 60 2HD2 ASN 60 8.395 1.453 -11.516 543 H ASP 61 H ASP 61 7.925 7.639 -9.584 544 HA ASP 61 HA ASP 61 5.757 8.753 -8.116 545 HB2 ASP 61 2HB ASP 61 6.285 10.879 -9.216 546 HB3 ASP 61 3HB ASP 61 7.778 10.069 -8.759 547 H GLU 62 H GLU 62 6.006 7.472 -11.349 548 HA GLU 62 HA GLU 62 3.562 8.462 -12.423 549 HB2 GLU 62 2HB GLU 62 5.596 7.326 -13.617 550 HB3 GLU 62 3HB GLU 62 4.857 5.802 -13.165 551 HG2 GLU 62 2HG GLU 62 3.456 7.900 -14.857 552 HG3 GLU 62 3HG GLU 62 4.441 6.609 -15.534 553 H GLU 63 H GLU 63 4.445 5.493 -10.634 554 HA GLU 63 HA GLU 63 1.811 4.400 -10.466 555 HB2 GLU 63 2HB GLU 63 4.253 3.859 -8.715 556 HB3 GLU 63 3HB GLU 63 2.760 2.927 -8.668 557 HG2 GLU 63 2HG GLU 63 4.716 3.130 -10.967 558 HG3 GLU 63 3HG GLU 63 4.409 1.726 -9.949 559 H LEU 64 H LEU 64 3.626 6.656 -8.433 560 HA LEU 64 HA LEU 64 2.093 6.717 -6.111 561 HB2 LEU 64 2HB LEU 64 4.251 7.890 -6.330 562 HB3 LEU 64 3HB LEU 64 3.576 8.975 -7.530 563 HG LEU 64 HG LEU 64 2.074 9.940 -5.747 564 HD11 LEU 64 1HD1 LEU 64 3.705 8.241 -3.840 565 HD12 LEU 64 2HD1 LEU 64 1.987 8.072 -4.204 566 HD13 LEU 64 3HD1 LEU 64 2.568 9.514 -3.381 567 HD21 LEU 64 3HD2 LEU 64 5.060 10.135 -5.182 568 HD22 LEU 64 1HD2 LEU 64 3.826 11.283 -4.644 569 HD23 LEU 64 2HD2 LEU 64 4.154 11.086 -6.363 570 H ASP 65 H ASP 65 1.865 8.828 -8.958 571 HA ASP 65 HA ASP 65 -0.395 10.258 -8.085 572 HB2 ASP 65 2HB ASP 65 1.324 10.996 -9.858 573 HB3 ASP 65 3HB ASP 65 0.437 9.993 -11.002 574 H LYS 66 H LYS 66 0.006 7.468 -10.253 575 HA LYS 66 HA LYS 66 -2.678 7.315 -11.195 576 HB2 LYS 66 2HB LYS 66 -0.702 6.316 -12.309 577 HB3 LYS 66 3HB LYS 66 -0.629 5.097 -11.037 578 HG2 LYS 66 2HG LYS 66 -2.572 4.021 -11.759 579 HG3 LYS 66 3HG LYS 66 -3.217 5.470 -12.529 580 HD2 LYS 66 2HD LYS 66 -2.629 3.989 -14.272 581 HD3 LYS 66 3HD LYS 66 -1.415 5.263 -14.271 582 HE2 LYS 66 2HE LYS 66 -1.008 2.529 -13.007 583 HE3 LYS 66 3HE LYS 66 -0.509 2.958 -14.635 584 HZ1 LYS 66 3HZ LYS 66 0.520 4.074 -12.105 585 HZ2 LYS 66 1HZ LYS 66 0.865 4.734 -13.621 586 HZ3 LYS 66 2HZ LYS 66 1.349 3.167 -13.252 587 H ALA 67 H ALA 67 -0.988 5.783 -8.425 588 HA ALA 67 HA ALA 67 -3.075 4.033 -7.633 589 HB1 ALA 67 3HB ALA 67 -0.874 5.239 -5.922 590 HB2 ALA 67 1HB ALA 67 -0.764 3.743 -6.855 591 HB3 ALA 67 2HB ALA 67 -1.878 3.852 -5.490 592 H LYS 68 H LYS 68 -2.328 7.427 -6.819 593 HA LYS 68 HA LYS 68 -4.380 7.861 -4.905 594 HB2 LYS 68 2HB LYS 68 -3.270 9.845 -6.943 595 HB3 LYS 68 3HB LYS 68 -4.278 10.278 -5.570 596 HG2 LYS 68 2HG LYS 68 -2.448 9.393 -4.067 597 HG3 LYS 68 3HG LYS 68 -1.445 9.202 -5.504 598 HD2 LYS 68 2HD LYS 68 -2.654 11.857 -4.618 599 HD3 LYS 68 3HD LYS 68 -1.038 11.325 -4.174 600 HE2 LYS 68 2HE LYS 68 -0.847 12.871 -6.004 601 HE3 LYS 68 3HE LYS 68 -0.444 11.272 -6.609 602 HZ1 LYS 68 3HZ LYS 68 -2.638 11.145 -7.630 603 HZ2 LYS 68 1HZ LYS 68 -1.821 12.527 -8.153 604 HZ3 LYS 68 2HZ LYS 68 -3.051 12.656 -7.004 605 H GLU 69 H GLU 69 -4.359 8.097 -8.475 606 HA GLU 69 HA GLU 69 -6.931 9.249 -8.751 607 HB2 GLU 69 2HB GLU 69 -5.547 7.573 -10.887 608 HB3 GLU 69 3HB GLU 69 -6.781 8.805 -11.127 609 HG2 GLU 69 2HG GLU 69 -3.879 9.164 -10.399 610 HG3 GLU 69 3HG GLU 69 -4.734 9.780 -11.804 611 H LEU 70 H LEU 70 -5.833 5.879 -9.017 612 HA LEU 70 HA LEU 70 -8.307 4.684 -9.671 613 HB2 LEU 70 2HB LEU 70 -5.842 3.492 -8.336 614 HB3 LEU 70 3HB LEU 70 -7.185 2.539 -8.948 615 HG LEU 70 HG LEU 70 -5.365 4.291 -10.658 616 HD11 LEU 70 1HD1 LEU 70 -5.397 1.262 -10.412 617 HD12 LEU 70 2HD1 LEU 70 -4.146 2.344 -9.798 618 HD13 LEU 70 3HD1 LEU 70 -4.407 2.204 -11.535 619 HD21 LEU 70 3HD2 LEU 70 -7.612 4.149 -11.618 620 HD22 LEU 70 1HD2 LEU 70 -7.577 2.387 -11.511 621 HD23 LEU 70 2HD2 LEU 70 -6.473 3.233 -12.599 622 H ALA 71 H ALA 71 -6.691 5.277 -6.554 623 HA ALA 71 HA ALA 71 -8.572 4.148 -4.806 624 HB1 ALA 71 3HB ALA 71 -6.352 4.913 -4.096 625 HB2 ALA 71 1HB ALA 71 -7.610 5.659 -3.107 626 HB3 ALA 71 2HB ALA 71 -6.819 6.589 -4.385 627 H GLN 72 H GLN 72 -8.505 7.339 -6.353 628 HA GLN 72 HA GLN 72 -10.754 8.477 -5.004 629 HB2 GLN 72 2HB GLN 72 -9.325 9.222 -7.589 630 HB3 GLN 72 3HB GLN 72 -10.666 10.161 -6.939 631 HG2 GLN 72 2HG GLN 72 -9.380 10.719 -4.944 632 HG3 GLN 72 3HG GLN 72 -8.074 9.644 -5.444 633 HE21 GLN 72 1HE2 GLN 72 -6.682 10.296 -7.100 634 HE22 GLN 72 2HE2 GLN 72 -6.583 11.925 -7.650 635 H LYS 73 H LYS 73 -10.391 6.625 -8.065 636 HA LYS 73 HA LYS 73 -13.022 6.955 -9.051 637 HB2 LYS 73 2HB LYS 73 -11.456 4.355 -9.382 638 HB3 LYS 73 3HB LYS 73 -12.647 5.044 -10.476 639 HG2 LYS 73 2HG LYS 73 -9.804 5.931 -10.010 640 HG3 LYS 73 3HG LYS 73 -10.493 5.250 -11.477 641 HD2 LYS 73 2HD LYS 73 -11.187 7.975 -10.314 642 HD3 LYS 73 3HD LYS 73 -10.039 7.688 -11.622 643 HE2 LYS 73 2HE LYS 73 -11.860 6.771 -13.018 644 HE3 LYS 73 3HE LYS 73 -13.014 7.084 -11.714 645 HZ1 LYS 73 3HZ LYS 73 -12.460 9.446 -11.863 646 HZ2 LYS 73 1HZ LYS 73 -13.045 8.860 -13.340 647 HZ3 LYS 73 2HZ LYS 73 -11.390 9.129 -13.135 648 H MET 74 H MET 74 -11.647 4.820 -6.658 649 HA MET 74 HA MET 74 -14.048 3.208 -6.244 650 HB2 MET 74 2HB MET 74 -11.398 3.238 -4.736 651 HB3 MET 74 3HB MET 74 -12.651 2.006 -4.615 652 HG2 MET 74 2HG MET 74 -11.098 2.617 -7.132 653 HG3 MET 74 3HG MET 74 -10.693 1.343 -5.988 654 HE1 MET 74 3HE MET 74 -11.966 -0.940 -8.778 655 HE2 MET 74 1HE MET 74 -10.747 -0.662 -7.535 656 HE3 MET 74 2HE MET 74 -10.888 0.450 -8.900 657 H GLU 75 H GLU 75 -12.864 6.161 -5.153 658 HA GLU 75 HA GLU 75 -13.189 7.617 -3.454 659 HB2 GLU 75 2HB GLU 75 -15.827 6.127 -3.104 660 HB3 GLU 75 3HB GLU 75 -15.455 7.726 -2.466 661 HG2 GLU 75 2HG GLU 75 -15.145 8.513 -4.840 662 HG3 GLU 75 3HG GLU 75 -15.728 6.939 -5.376 663 H ILE 76 H ILE 76 -11.908 4.957 -2.735 664 HA ILE 76 HA ILE 76 -12.691 4.391 0.001 665 HB ILE 76 HB ILE 76 -10.265 3.392 -1.582 666 HG12 ILE 76 2HG1 ILE 76 -12.928 1.987 -1.013 667 HG13 ILE 76 3HG1 ILE 76 -12.469 2.702 -2.552 668 HG21 ILE 76 1HG2 ILE 76 -11.373 2.333 1.059 669 HG22 ILE 76 2HG2 ILE 76 -9.850 3.196 0.843 670 HG23 ILE 76 3HG2 ILE 76 -10.061 1.601 0.126 671 HD11 ILE 76 3HD1 ILE 76 -12.237 0.295 -2.582 672 HD12 ILE 76 1HD1 ILE 76 -11.108 0.357 -1.231 673 HD13 ILE 76 2HD1 ILE 76 -10.668 1.070 -2.788 674 H ASP 77 H ASP 77 -11.456 4.797 1.862 675 HA ASP 77 HA ASP 77 -10.133 7.354 1.977 676 HB2 ASP 77 2HB ASP 77 -11.832 6.366 3.628 677 HB3 ASP 77 3HB ASP 77 -10.564 5.286 4.182 678 H VAL 78 H VAL 78 -8.092 7.261 1.014 679 HA VAL 78 HA VAL 78 -6.175 5.117 1.819 680 HB VAL 78 HB VAL 78 -6.512 6.309 -0.988 681 HG11 VAL 78 1HG1 VAL 78 -4.167 5.725 -0.552 682 HG12 VAL 78 2HG1 VAL 78 -4.870 4.634 -1.743 683 HG13 VAL 78 3HG1 VAL 78 -4.636 4.089 -0.078 684 HG21 VAL 78 3HG2 VAL 78 -7.289 4.064 -1.681 685 HG22 VAL 78 1HG2 VAL 78 -8.358 4.783 -0.479 686 HG23 VAL 78 2HG2 VAL 78 -7.230 3.519 -0.006 687 H ARG 79 H ARG 79 -4.054 5.693 2.076 688 HA ARG 79 HA ARG 79 -3.116 8.455 1.560 689 HB2 ARG 79 2HB ARG 79 -2.001 6.498 3.653 690 HB3 ARG 79 3HB ARG 79 -1.403 8.118 3.325 691 HG2 ARG 79 2HG ARG 79 -2.613 8.387 5.298 692 HG3 ARG 79 3HG ARG 79 -3.746 8.937 4.066 693 HD2 ARG 79 2HD ARG 79 -4.802 6.648 4.132 694 HD3 ARG 79 3HD ARG 79 -3.747 6.260 5.499 695 HE ARG 79 HE ARG 79 -4.845 8.407 6.490 696 HH11 ARG 79 1HH1 ARG 79 -6.470 5.978 4.543 697 HH12 ARG 79 2HH1 ARG 79 -8.018 6.240 5.287 698 HH21 ARG 79 1HH2 ARG 79 -6.885 8.710 7.491 699 HH22 ARG 79 2HH2 ARG 79 -8.251 7.776 6.940 700 H THR 80 H THR 80 -1.506 8.517 0.010 701 HA THR 80 HA THR 80 -0.181 5.964 -0.768 702 HB THR 80 HB THR 80 -0.788 8.296 -2.660 703 HG1 THR 80 HG1 THR 80 -2.445 6.342 -1.690 704 HG21 THR 80 3HG2 THR 80 1.043 6.752 -3.386 705 HG22 THR 80 1HG2 THR 80 -0.370 6.635 -4.436 706 HG23 THR 80 2HG2 THR 80 -0.057 5.382 -3.232 707 H ARG 81 H ARG 81 1.947 5.965 -0.422 708 HA ARG 81 HA ARG 81 3.539 8.466 -0.327 709 HB2 ARG 81 2HB ARG 81 3.862 5.930 1.350 710 HB3 ARG 81 3HB ARG 81 5.012 7.258 1.347 711 HG2 ARG 81 2HG ARG 81 2.127 7.497 2.251 712 HG3 ARG 81 3HG ARG 81 3.480 7.177 3.337 713 HD2 ARG 81 2HD ARG 81 2.961 9.517 3.465 714 HD3 ARG 81 3HD ARG 81 4.492 9.372 2.594 715 HE ARG 81 HE ARG 81 2.160 9.477 0.896 716 HH11 ARG 81 1HH1 ARG 81 4.479 11.514 2.602 717 HH12 ARG 81 2HH1 ARG 81 4.228 12.871 1.551 718 HH21 ARG 81 1HH2 ARG 81 1.920 11.230 -0.535 719 HH22 ARG 81 2HH2 ARG 81 2.779 12.707 -0.231 720 H LYS 82 H LYS 82 5.366 8.484 -1.591 721 HA LYS 82 HA LYS 82 6.075 6.089 -3.142 722 HB2 LYS 82 2HB LYS 82 5.728 8.231 -4.384 723 HB3 LYS 82 3HB LYS 82 7.050 8.969 -3.478 724 HG2 LYS 82 2HG LYS 82 8.592 7.218 -4.429 725 HG3 LYS 82 3HG LYS 82 7.252 6.632 -5.417 726 HD2 LYS 82 2HD LYS 82 8.693 8.085 -6.744 727 HD3 LYS 82 3HD LYS 82 7.122 8.858 -6.526 728 HE2 LYS 82 2HE LYS 82 8.061 10.267 -4.741 729 HE3 LYS 82 3HE LYS 82 9.631 9.484 -4.935 730 HZ1 LYS 82 3HZ LYS 82 8.225 11.076 -7.010 731 HZ2 LYS 82 1HZ LYS 82 9.731 10.332 -7.188 732 HZ3 LYS 82 2HZ LYS 82 9.538 11.596 -6.088 733 H VAL 83 H VAL 83 7.800 4.941 -2.671 734 HA VAL 83 HA VAL 83 10.028 5.959 -1.057 735 HB VAL 83 HB VAL 83 9.982 3.865 0.352 736 HG11 VAL 83 1HG1 VAL 83 7.446 5.536 0.609 737 HG12 VAL 83 2HG1 VAL 83 9.030 5.949 1.268 738 HG13 VAL 83 3HG1 VAL 83 8.170 4.537 1.875 739 HG21 VAL 83 3HG2 VAL 83 7.255 3.381 -0.932 740 HG22 VAL 83 1HG2 VAL 83 7.906 2.486 0.446 741 HG23 VAL 83 2HG2 VAL 83 8.695 2.381 -1.125 742 H THR 84 H THR 84 11.946 5.334 -1.958 743 HA THR 84 HA THR 84 12.112 2.889 -3.631 744 HB THR 84 HB THR 84 14.418 3.812 -4.246 745 HG1 THR 84 HG1 THR 84 14.909 5.304 -2.753 746 HG21 THR 84 3HG2 THR 84 12.046 5.578 -4.954 747 HG22 THR 84 1HG2 THR 84 12.536 4.105 -5.801 748 HG23 THR 84 2HG2 THR 84 13.584 5.523 -5.815 749 H SER 85 H SER 85 13.439 4.564 -0.807 750 HA SER 85 HA SER 85 15.230 2.466 -0.039 751 HB2 SER 85 2HB SER 85 14.158 4.805 1.581 752 HB3 SER 85 3HB SER 85 15.551 3.806 2.006 753 HG SER 85 HG SER 85 16.383 4.518 -0.138 754 HA PRO 86 HA PRO 86 12.019 -0.273 1.808 755 HB2 PRO 86 2HB PRO 86 14.546 -1.258 3.165 756 HB3 PRO 86 3HB PRO 86 13.234 -2.190 2.409 757 HG2 PRO 86 2HG PRO 86 15.536 -1.878 1.144 758 HG3 PRO 86 3HG PRO 86 14.002 -1.795 0.245 759 HD2 PRO 86 2HD PRO 86 15.829 0.435 1.076 760 HD3 PRO 86 3HD PRO 86 14.838 0.272 -0.390 761 H ASP 87 H ASP 87 14.605 1.378 3.643 762 HA ASP 87 HA ASP 87 13.596 1.301 6.244 763 HB2 ASP 87 2HB ASP 87 15.846 2.098 5.816 764 HB3 ASP 87 3HB ASP 87 15.255 3.430 4.829 765 H GLU 88 H GLU 88 12.982 3.734 3.715 766 HA GLU 88 HA GLU 88 11.268 5.446 5.163 767 HB2 GLU 88 2HB GLU 88 11.412 4.894 2.162 768 HB3 GLU 88 3HB GLU 88 10.518 6.230 2.875 769 HG2 GLU 88 2HG GLU 88 13.519 5.876 3.192 770 HG3 GLU 88 3HG GLU 88 12.780 6.790 1.884 771 H ALA 89 H ALA 89 10.598 2.618 3.102 772 HA ALA 89 HA ALA 89 7.768 2.694 3.093 773 HB1 ALA 89 3HB ALA 89 9.103 1.331 1.519 774 HB2 ALA 89 1HB ALA 89 7.906 0.340 2.355 775 HB3 ALA 89 2HB ALA 89 9.603 0.279 2.843 776 H LYS 90 H LYS 90 10.068 1.002 5.207 777 HA LYS 90 HA LYS 90 8.235 -0.487 6.759 778 HB2 LYS 90 2HB LYS 90 11.077 0.448 7.346 779 HB3 LYS 90 3HB LYS 90 10.195 -0.691 8.359 780 HG2 LYS 90 2HG LYS 90 10.136 -2.326 6.547 781 HG3 LYS 90 3HG LYS 90 10.879 -1.168 5.442 782 HD2 LYS 90 2HD LYS 90 12.590 -2.712 6.195 783 HD3 LYS 90 3HD LYS 90 12.919 -1.130 6.900 784 HE2 LYS 90 2HE LYS 90 11.972 -1.864 9.042 785 HE3 LYS 90 3HE LYS 90 11.543 -3.428 8.338 786 HZ1 LYS 90 3HZ LYS 90 14.273 -2.361 8.809 787 HZ2 LYS 90 1HZ LYS 90 13.954 -3.750 7.894 788 HZ3 LYS 90 2HZ LYS 90 13.546 -3.706 9.526 789 H ARG 91 H ARG 91 9.696 2.717 7.156 790 HA ARG 91 HA ARG 91 8.841 3.291 9.753 791 HB2 ARG 91 2HB ARG 91 10.447 4.734 8.559 792 HB3 ARG 91 3HB ARG 91 9.188 5.242 7.433 793 HG2 ARG 91 2HG ARG 91 7.930 6.234 9.376 794 HG3 ARG 91 3HG ARG 91 9.288 5.813 10.421 795 HD2 ARG 91 2HD ARG 91 10.759 7.304 9.159 796 HD3 ARG 91 3HD ARG 91 9.456 7.662 8.019 797 HE ARG 91 HE ARG 91 9.081 8.301 10.867 798 HH11 ARG 91 1HH1 ARG 91 9.601 9.496 7.588 799 HH12 ARG 91 2HH1 ARG 91 9.167 11.129 7.998 800 HH21 ARG 91 1HH2 ARG 91 8.495 10.437 11.376 801 HH22 ARG 91 2HH2 ARG 91 8.538 11.661 10.142 802 H TRP 92 H TRP 92 7.192 4.092 6.615 803 HA TRP 92 HA TRP 92 4.956 5.296 7.754 804 HB2 TRP 92 2HB TRP 92 5.095 3.805 5.108 805 HB3 TRP 92 3HB TRP 92 3.838 4.947 5.573 806 HD1 TRP 92 HD1 TRP 92 6.448 4.968 3.273 807 HE1 TRP 92 HE1 TRP 92 7.584 7.243 2.968 808 HE3 TRP 92 HE3 TRP 92 4.816 7.309 7.535 809 HZ2 TRP 92 HZ2 TRP 92 7.774 9.680 4.302 810 HZ3 TRP 92 HZ3 TRP 92 5.536 9.627 7.933 811 HH2 TRP 92 HH2 TRP 92 6.985 10.792 6.348 812 H ILE 93 H ILE 93 5.589 1.862 7.294 813 HA ILE 93 HA ILE 93 2.888 0.930 7.681 814 HB ILE 93 HB ILE 93 5.588 -0.489 7.910 815 HG12 ILE 93 2HG1 ILE 93 3.506 -0.542 5.663 816 HG13 ILE 93 3HG1 ILE 93 5.012 0.371 5.633 817 HG21 ILE 93 1HG2 ILE 93 2.827 -1.776 7.898 818 HG22 ILE 93 2HG2 ILE 93 3.936 -1.706 9.268 819 HG23 ILE 93 3HG2 ILE 93 4.369 -2.637 7.836 820 HD11 ILE 93 3HD1 ILE 93 5.196 -1.637 4.322 821 HD12 ILE 93 1HD1 ILE 93 4.759 -2.628 5.713 822 HD13 ILE 93 2HD1 ILE 93 6.274 -1.721 5.714 823 H LYS 94 H LYS 94 5.807 1.179 9.738 824 HA LYS 94 HA LYS 94 4.816 0.423 12.212 825 HB2 LYS 94 2HB LYS 94 7.214 0.892 11.642 826 HB3 LYS 94 3HB LYS 94 6.843 2.608 11.564 827 HG2 LYS 94 2HG LYS 94 6.038 2.227 14.071 828 HG3 LYS 94 3HG LYS 94 7.083 0.808 13.968 829 HD2 LYS 94 2HD LYS 94 8.285 2.745 14.929 830 HD3 LYS 94 3HD LYS 94 9.010 2.252 13.395 831 HE2 LYS 94 2HE LYS 94 7.995 4.088 12.229 832 HE3 LYS 94 3HE LYS 94 6.971 4.493 13.608 833 HZ1 LYS 94 3HZ LYS 94 9.930 4.749 13.501 834 HZ2 LYS 94 1HZ LYS 94 8.966 5.094 14.846 835 HZ3 LYS 94 2HZ LYS 94 8.812 6.013 13.440 836 H GLU 95 H GLU 95 4.875 3.675 10.744 837 HA GLU 95 HA GLU 95 3.669 5.191 12.750 838 HB2 GLU 95 2HB GLU 95 3.576 5.564 9.719 839 HB3 GLU 95 3HB GLU 95 3.083 6.791 10.878 840 HG2 GLU 95 2HG GLU 95 5.889 5.662 10.706 841 HG3 GLU 95 3HG GLU 95 5.360 7.106 9.851 842 H PHE 96 H PHE 96 2.270 3.381 10.084 843 HA PHE 96 HA PHE 96 -0.417 4.302 10.282 844 HB2 PHE 96 2HB PHE 96 0.752 3.451 8.216 845 HB3 PHE 96 3HB PHE 96 0.691 1.830 8.887 846 HD1 PHE 96 HD1 PHE 96 -1.580 4.691 7.982 847 HD2 PHE 96 HD2 PHE 96 -1.096 0.454 8.226 848 HE1 PHE 96 HE1 PHE 96 -3.748 4.367 6.860 849 HE2 PHE 96 HE2 PHE 96 -3.261 0.137 7.111 850 HZ PHE 96 HZ PHE 96 -4.582 2.094 6.433 851 H SER 97 H SER 97 1.326 1.598 11.690 852 HA SER 97 HA SER 97 -1.074 0.289 12.701 853 HB2 SER 97 2HB SER 97 0.572 -1.282 13.774 854 HB3 SER 97 3HB SER 97 0.755 -1.133 12.027 855 HG SER 97 HG SER 97 2.539 0.155 12.329 856 H GLU 98 H GLU 98 1.551 2.340 13.982 857 HA GLU 98 HA GLU 98 0.924 2.169 16.741 858 HB2 GLU 98 2HB GLU 98 2.374 4.317 15.143 859 HB3 GLU 98 3HB GLU 98 2.230 4.362 16.898 860 HG2 GLU 98 2HG GLU 98 3.496 2.282 17.085 861 HG3 GLU 98 3HG GLU 98 3.601 2.154 15.329 862 H GLU 99 H GLU 99 -0.136 4.410 14.177 863 HA GLU 99 HA GLU 99 -1.848 5.939 15.876 864 HB2 GLU 99 2HB GLU 99 -2.861 6.853 13.865 865 HB3 GLU 99 3HB GLU 99 -1.118 6.798 13.660 866 HG2 GLU 99 2HG GLU 99 -1.341 4.823 12.209 867 HG3 GLU 99 3HG GLU 99 -3.083 4.826 12.459 868 H GLY 100 H GLY 100 -2.364 3.139 13.755 869 HA2 GLY 100 2HA GLY 100 -4.035 1.613 13.524 870 HA3 GLY 100 3HA GLY 100 -4.498 1.966 15.177 871 H GLY 101 H GLY 101 -4.583 4.750 13.220 872 HA2 GLY 101 2HA GLY 101 -6.624 5.571 12.060 873 HA3 GLY 101 3HA GLY 101 -7.545 4.689 13.283 874 H SER 102 H SER 102 -8.492 6.906 13.561 875 HA SER 102 HA SER 102 -9.101 8.261 15.228 876 HB2 SER 102 2HB SER 102 -8.031 6.722 16.853 877 HB3 SER 102 3HB SER 102 -6.518 7.610 16.701 878 HG SER 102 HG SER 102 -8.541 8.114 18.318 879 H LEU 103 H LEU 103 -6.019 8.772 13.699 880 HA LEU 103 HA LEU 103 -5.540 11.426 14.676 881 HB2 LEU 103 2HB LEU 103 -4.327 9.957 12.312 882 HB3 LEU 103 3HB LEU 103 -3.761 11.506 12.924 883 HG LEU 103 HG LEU 103 -3.639 8.824 14.358 884 HD11 LEU 103 1HD1 LEU 103 -1.419 10.644 13.369 885 HD12 LEU 103 2HD1 LEU 103 -1.927 9.119 12.638 886 HD13 LEU 103 3HD1 LEU 103 -1.210 9.125 14.245 887 HD21 LEU 103 3HD2 LEU 103 -2.521 9.990 16.227 888 HD22 LEU 103 1HD2 LEU 103 -4.179 10.552 16.013 889 HD23 LEU 103 2HD2 LEU 103 -2.833 11.546 15.451 890 H GLU 104 H GLU 104 -7.380 10.140 12.042 891 HA GLU 104 HA GLU 104 -7.860 12.740 10.846 892 HB2 GLU 104 2HB GLU 104 -9.648 11.542 9.513 893 HB3 GLU 104 3HB GLU 104 -8.009 10.982 9.259 894 HG2 GLU 104 2HG GLU 104 -9.957 9.541 11.067 895 HG3 GLU 104 3HG GLU 104 -9.846 9.223 9.339 896 H HIS 105 H HIS 105 -9.409 14.111 11.424 897 HA HIS 105 HA HIS 105 -11.100 13.775 13.674 898 HB2 HIS 105 2HB HIS 105 -12.224 15.877 12.858 899 HB3 HIS 105 3HB HIS 105 -10.473 16.014 12.958 900 HD1 HIS 105 HD1 HIS 105 -9.228 16.570 10.821 901 HD2 HIS 105 HD2 HIS 105 -13.265 15.811 10.188 902 HE1 HIS 105 HE1 HIS 105 -9.672 17.230 8.439 903 HE2 HIS 105 HE2 HIS 105 -12.045 16.513 8.016 904 H HIS 106 H HIS 106 -13.475 13.682 13.670 905 HA HIS 106 HA HIS 106 -15.270 12.330 13.442 906 HB2 HIS 106 2HB HIS 106 -14.612 12.575 10.477 907 HB3 HIS 106 3HB HIS 106 -16.002 11.674 11.070 908 HD1 HIS 106 HD1 HIS 106 -18.091 13.008 11.012 909 HD2 HIS 106 HD2 HIS 106 -14.759 15.427 11.582 910 HE1 HIS 106 HE1 HIS 106 -18.978 15.352 11.146 911 HE2 HIS 106 HE2 HIS 106 -16.974 16.767 11.661 912 H HIS 107 H HIS 107 -13.134 11.192 14.420 913 HA HIS 107 HA HIS 107 -12.474 8.726 13.087 914 HB2 HIS 107 2HB HIS 107 -11.222 8.171 15.205 915 HB3 HIS 107 3HB HIS 107 -10.709 9.636 14.392 916 HD1 HIS 107 HD1 HIS 107 -10.719 11.762 15.729 917 HD2 HIS 107 HD2 HIS 107 -12.527 8.612 17.750 918 HE1 HIS 107 HE1 HIS 107 -11.011 12.554 18.097 919 HE2 HIS 107 HE2 HIS 107 -12.202 10.681 19.271 920 H HIS 108 H HIS 108 -13.926 7.234 12.896 921 HA HIS 108 HA HIS 108 -15.600 6.424 15.204 922 HB2 HIS 108 2HB HIS 108 -17.327 5.706 13.438 923 HB3 HIS 108 3HB HIS 108 -17.141 7.439 13.675 924 HD1 HIS 108 HD1 HIS 108 -16.046 4.733 11.257 925 HD2 HIS 108 HD2 HIS 108 -16.645 8.840 11.370 926 HE1 HIS 108 HE1 HIS 108 -15.678 5.528 8.902 927 HE2 HIS 108 HE2 HIS 108 -15.827 8.028 9.052 928 H HIS 109 H HIS 109 -13.360 5.290 15.350 929 HA HIS 109 HA HIS 109 -12.834 3.057 13.636 930 HB2 HIS 109 2HB HIS 109 -10.941 2.636 14.952 931 HB3 HIS 109 3HB HIS 109 -11.173 4.347 15.253 932 HD1 HIS 109 HD1 HIS 109 -12.135 4.976 17.657 933 HD2 HIS 109 HD2 HIS 109 -11.068 0.985 17.194 934 HE1 HIS 109 HE1 HIS 109 -12.071 4.027 19.978 935 HE2 HIS 109 HE2 HIS 109 -11.376 1.627 19.686 936 H HIS 110 H HIS 110 -13.255 0.865 13.988 937 HA HIS 110 HA HIS 110 -14.761 0.083 16.408 938 HB2 HIS 110 2HB HIS 110 -15.439 -0.652 13.520 939 HB3 HIS 110 3HB HIS 110 -16.027 -1.582 14.896 940 HD1 HIS 110 HD1 HIS 110 -18.135 -0.764 15.968 941 HD2 HIS 110 HD2 HIS 110 -16.430 2.112 13.501 942 HE1 HIS 110 HE1 HIS 110 -19.822 1.091 15.822 943 HE2 HIS 110 HE2 HIS 110 -18.701 2.883 14.462 Start of MODEL 8 1 H1 MET 1 1H MET 1 -11.501 -1.141 13.958 2 H2 MET 1 2H MET 1 -10.046 -1.965 13.704 3 H3 MET 1 3H MET 1 -11.472 -2.540 13.008 4 HA MET 1 HA MET 1 -11.652 -0.638 11.614 5 HB2 MET 1 2HB MET 1 -10.671 1.046 13.057 6 HB3 MET 1 3HB MET 1 -9.108 0.241 13.038 7 HG2 MET 1 2HG MET 1 -8.757 0.849 10.734 8 HG3 MET 1 3HG MET 1 -10.403 1.462 10.592 9 HE1 MET 1 3HE MET 1 -10.322 4.777 12.535 10 HE2 MET 1 1HE MET 1 -11.043 3.232 12.990 11 HE3 MET 1 2HE MET 1 -11.167 3.821 11.326 12 H LEU 2 H LEU 2 -11.042 -1.089 9.534 13 HA LEU 2 HA LEU 2 -9.290 -3.373 9.115 14 HB2 LEU 2 2HB LEU 2 -10.956 -1.750 7.133 15 HB3 LEU 2 3HB LEU 2 -10.152 -3.269 6.778 16 HG LEU 2 HG LEU 2 -12.459 -2.923 8.731 17 HD11 LEU 2 1HD1 LEU 2 -13.812 -4.127 7.070 18 HD12 LEU 2 2HD1 LEU 2 -12.442 -4.162 5.955 19 HD13 LEU 2 3HD1 LEU 2 -13.180 -2.622 6.405 20 HD21 LEU 2 3HD2 LEU 2 -11.021 -5.443 7.834 21 HD22 LEU 2 1HD2 LEU 2 -12.493 -5.395 8.810 22 HD23 LEU 2 2HD2 LEU 2 -10.994 -4.728 9.450 23 H LEU 3 H LEU 3 -7.115 -2.898 9.049 24 HA LEU 3 HA LEU 3 -6.184 -0.510 7.546 25 HB2 LEU 3 2HB LEU 3 -4.783 -2.099 9.727 26 HB3 LEU 3 3HB LEU 3 -4.087 -0.732 8.882 27 HG LEU 3 HG LEU 3 -6.455 -0.650 10.792 28 HD11 LEU 3 1HD1 LEU 3 -3.637 0.450 11.098 29 HD12 LEU 3 2HD1 LEU 3 -4.306 -0.957 11.930 30 HD13 LEU 3 3HD1 LEU 3 -4.961 0.645 12.254 31 HD21 LEU 3 3HD2 LEU 3 -6.779 0.991 9.019 32 HD22 LEU 3 1HD2 LEU 3 -5.154 1.636 9.280 33 HD23 LEU 3 2HD2 LEU 3 -6.386 1.793 10.536 34 H TYR 4 H TYR 4 -5.363 -0.980 5.585 35 HA TYR 4 HA TYR 4 -4.126 -3.632 5.079 36 HB2 TYR 4 2HB TYR 4 -5.858 -1.956 3.201 37 HB3 TYR 4 3HB TYR 4 -4.993 -3.417 2.724 38 HD1 TYR 4 HD1 TYR 4 -5.556 -5.609 3.987 39 HD2 TYR 4 HD2 TYR 4 -8.077 -2.155 4.099 40 HE1 TYR 4 HE1 TYR 4 -7.445 -7.002 4.710 41 HE2 TYR 4 HE2 TYR 4 -9.957 -3.562 4.819 42 HH TYR 4 HH TYR 4 -10.664 -5.897 4.723 43 H VAL 5 H VAL 5 -2.374 -3.713 3.707 44 HA VAL 5 HA VAL 5 -1.068 -1.150 2.952 45 HB VAL 5 HB VAL 5 0.259 -3.750 3.915 46 HG11 VAL 5 1HG1 VAL 5 2.400 -2.524 3.787 47 HG12 VAL 5 2HG1 VAL 5 1.571 -1.139 3.077 48 HG13 VAL 5 3HG1 VAL 5 1.643 -2.669 2.199 49 HG21 VAL 5 3HG2 VAL 5 -0.759 -2.496 5.773 50 HG22 VAL 5 1HG2 VAL 5 0.087 -1.027 5.277 51 HG23 VAL 5 2HG2 VAL 5 1.000 -2.415 5.876 52 H LEU 6 H LEU 6 -1.039 -0.953 0.778 53 HA LEU 6 HA LEU 6 -0.806 -3.313 -0.994 54 HB2 LEU 6 2HB LEU 6 -1.753 -0.467 -1.599 55 HB3 LEU 6 3HB LEU 6 -1.606 -1.748 -2.791 56 HG LEU 6 HG LEU 6 -3.578 -1.609 -0.494 57 HD11 LEU 6 1HD1 LEU 6 -4.052 -1.646 -3.493 58 HD12 LEU 6 2HD1 LEU 6 -4.186 -0.239 -2.435 59 HD13 LEU 6 3HD1 LEU 6 -5.295 -1.592 -2.236 60 HD21 LEU 6 3HD2 LEU 6 -3.101 -3.908 -2.396 61 HD22 LEU 6 1HD2 LEU 6 -4.485 -3.755 -1.309 62 HD23 LEU 6 2HD2 LEU 6 -2.861 -3.896 -0.646 63 H ILE 7 H ILE 7 1.290 -3.643 -1.591 64 HA ILE 7 HA ILE 7 3.109 -1.302 -1.765 65 HB ILE 7 HB ILE 7 3.860 -2.855 -0.062 66 HG12 ILE 7 2HG1 ILE 7 5.589 -3.134 -2.564 67 HG13 ILE 7 3HG1 ILE 7 5.614 -1.776 -1.444 68 HG21 ILE 7 1HG2 ILE 7 4.404 -5.211 -0.436 69 HG22 ILE 7 2HG2 ILE 7 3.854 -5.084 -2.106 70 HG23 ILE 7 3HG2 ILE 7 2.700 -4.900 -0.787 71 HD11 ILE 7 3HD1 ILE 7 6.442 -3.237 0.312 72 HD12 ILE 7 1HD1 ILE 7 7.491 -3.264 -1.100 73 HD13 ILE 7 2HD1 ILE 7 6.397 -4.609 -0.797 74 H ILE 8 H ILE 8 3.184 -0.640 -3.855 75 HA ILE 8 HA ILE 8 3.316 -2.550 -6.069 76 HB ILE 8 HB ILE 8 3.662 0.473 -6.357 77 HG12 ILE 8 2HG1 ILE 8 1.021 -1.038 -6.132 78 HG13 ILE 8 3HG1 ILE 8 1.600 0.221 -5.057 79 HG21 ILE 8 1HG2 ILE 8 2.750 0.069 -8.616 80 HG22 ILE 8 2HG2 ILE 8 2.547 -1.644 -8.248 81 HG23 ILE 8 3HG2 ILE 8 4.166 -0.943 -8.326 82 HD11 ILE 8 3HD1 ILE 8 0.737 0.544 -7.917 83 HD12 ILE 8 1HD1 ILE 8 1.446 1.824 -6.928 84 HD13 ILE 8 2HD1 ILE 8 -0.091 1.101 -6.464 85 H SER 9 H SER 9 5.267 -3.559 -6.046 86 HA SER 9 HA SER 9 7.666 -2.024 -6.612 87 HB2 SER 9 2HB SER 9 7.616 -2.107 -4.108 88 HB3 SER 9 3HB SER 9 7.568 -3.867 -4.172 89 HG SER 9 HG SER 9 9.675 -2.104 -4.703 90 H ASN 10 H ASN 10 9.038 -3.122 -7.856 91 HA ASN 10 HA ASN 10 8.466 -5.856 -8.713 92 HB2 ASN 10 2HB ASN 10 10.576 -3.837 -9.625 93 HB3 ASN 10 3HB ASN 10 10.329 -5.426 -10.353 94 HD21 ASN 10 1HD2 ASN 10 8.572 -5.732 -11.734 95 HD22 ASN 10 2HD2 ASN 10 7.563 -4.436 -12.274 96 H ASP 11 H ASP 11 10.499 -4.199 -6.474 97 HA ASP 11 HA ASP 11 12.705 -6.095 -6.591 98 HB2 ASP 11 2HB ASP 11 13.170 -3.682 -6.231 99 HB3 ASP 11 3HB ASP 11 12.288 -3.731 -4.711 100 H LYS 12 H LYS 12 12.666 -7.898 -5.566 101 HA LYS 12 HA LYS 12 10.656 -8.845 -3.874 102 HB2 LYS 12 2HB LYS 12 13.460 -9.977 -4.217 103 HB3 LYS 12 3HB LYS 12 12.071 -10.854 -3.597 104 HG2 LYS 12 2HG LYS 12 12.205 -9.735 -6.411 105 HG3 LYS 12 3HG LYS 12 12.749 -11.352 -5.982 106 HD2 LYS 12 2HD LYS 12 10.584 -11.689 -6.842 107 HD3 LYS 12 3HD LYS 12 10.348 -11.753 -5.100 108 HE2 LYS 12 2HE LYS 12 9.401 -9.519 -5.100 109 HE3 LYS 12 3HE LYS 12 9.815 -9.294 -6.801 110 HZ1 LYS 12 3HZ LYS 12 8.255 -10.998 -7.409 111 HZ2 LYS 12 1HZ LYS 12 7.460 -9.859 -6.449 112 HZ3 LYS 12 2HZ LYS 12 7.914 -11.346 -5.794 113 H LYS 13 H LYS 13 13.734 -7.351 -3.091 114 HA LYS 13 HA LYS 13 13.892 -8.287 -0.379 115 HB2 LYS 13 2HB LYS 13 15.376 -6.003 -1.764 116 HB3 LYS 13 3HB LYS 13 15.741 -6.602 -0.151 117 HG2 LYS 13 2HG LYS 13 17.380 -7.571 -1.543 118 HG3 LYS 13 3HG LYS 13 16.229 -8.875 -1.256 119 HD2 LYS 13 2HD LYS 13 15.233 -8.501 -3.488 120 HD3 LYS 13 3HD LYS 13 16.317 -7.133 -3.757 121 HE2 LYS 13 2HE LYS 13 18.262 -8.697 -3.599 122 HE3 LYS 13 3HE LYS 13 17.132 -10.043 -3.442 123 HZ1 LYS 13 3HZ LYS 13 17.376 -8.226 -5.786 124 HZ2 LYS 13 1HZ LYS 13 16.237 -9.471 -5.638 125 HZ3 LYS 13 2HZ LYS 13 17.884 -9.833 -5.705 126 H LEU 14 H LEU 14 12.865 -5.300 -1.998 127 HA LEU 14 HA LEU 14 12.213 -3.749 0.256 128 HB2 LEU 14 2HB LEU 14 12.543 -3.081 -2.220 129 HB3 LEU 14 3HB LEU 14 10.878 -3.555 -2.481 130 HG LEU 14 HG LEU 14 11.580 -1.429 -0.412 131 HD11 LEU 14 1HD1 LEU 14 11.110 -0.913 -3.368 132 HD12 LEU 14 2HD1 LEU 14 12.635 -0.705 -2.502 133 HD13 LEU 14 3HD1 LEU 14 11.258 0.316 -2.107 134 HD21 LEU 14 3HD2 LEU 14 9.308 -0.600 -0.864 135 HD22 LEU 14 1HD2 LEU 14 9.283 -2.286 -0.345 136 HD23 LEU 14 2HD2 LEU 14 9.066 -1.888 -2.050 137 H ILE 15 H ILE 15 10.300 -6.027 -1.697 138 HA ILE 15 HA ILE 15 7.797 -5.734 -0.448 139 HB ILE 15 HB ILE 15 9.029 -8.108 -1.896 140 HG12 ILE 15 2HG1 ILE 15 6.973 -6.021 -2.783 141 HG13 ILE 15 3HG1 ILE 15 8.655 -6.092 -3.293 142 HG21 ILE 15 1HG2 ILE 15 6.750 -9.075 -2.064 143 HG22 ILE 15 2HG2 ILE 15 6.147 -7.816 -0.986 144 HG23 ILE 15 3HG2 ILE 15 7.315 -9.000 -0.392 145 HD11 ILE 15 3HD1 ILE 15 8.194 -8.242 -4.406 146 HD12 ILE 15 1HD1 ILE 15 7.228 -6.908 -5.035 147 HD13 ILE 15 2HD1 ILE 15 6.496 -8.089 -3.950 148 H GLU 16 H GLU 16 10.478 -7.956 0.277 149 HA GLU 16 HA GLU 16 9.172 -9.328 2.401 150 HB2 GLU 16 2HB GLU 16 12.146 -9.101 1.798 151 HB3 GLU 16 3HB GLU 16 11.464 -10.169 3.019 152 HG2 GLU 16 2HG GLU 16 11.067 -10.315 0.026 153 HG3 GLU 16 3HG GLU 16 11.923 -11.463 1.050 154 H GLU 17 H GLU 17 11.261 -6.471 2.357 155 HA GLU 17 HA GLU 17 11.660 -6.142 5.136 156 HB2 GLU 17 2HB GLU 17 11.672 -4.210 2.793 157 HB3 GLU 17 3HB GLU 17 12.010 -3.666 4.427 158 HG2 GLU 17 2HG GLU 17 13.584 -5.807 2.981 159 HG3 GLU 17 3HG GLU 17 14.039 -4.111 3.051 160 H ALA 18 H ALA 18 9.229 -4.736 2.940 161 HA ALA 18 HA ALA 18 7.734 -3.307 4.872 162 HB1 ALA 18 3HB ALA 18 7.596 -2.845 2.465 163 HB2 ALA 18 1HB ALA 18 5.996 -3.193 3.123 164 HB3 ALA 18 2HB ALA 18 6.855 -4.421 2.188 165 H ARG 19 H ARG 19 7.559 -6.612 3.654 166 HA ARG 19 HA ARG 19 5.171 -7.463 4.847 167 HB2 ARG 19 2HB ARG 19 6.476 -8.731 3.088 168 HB3 ARG 19 3HB ARG 19 7.629 -9.199 4.336 169 HG2 ARG 19 2HG ARG 19 5.725 -10.310 5.574 170 HG3 ARG 19 3HG ARG 19 4.684 -9.951 4.194 171 HD2 ARG 19 2HD ARG 19 7.095 -11.777 4.279 172 HD3 ARG 19 3HD ARG 19 5.422 -12.219 3.946 173 HE ARG 19 HE ARG 19 7.365 -11.079 2.115 174 HH11 ARG 19 1HH1 ARG 19 3.944 -11.816 2.591 175 HH12 ARG 19 2HH1 ARG 19 3.585 -11.760 0.896 176 HH21 ARG 19 1HH2 ARG 19 6.886 -11.026 -0.069 177 HH22 ARG 19 2HH2 ARG 19 5.263 -11.309 -0.615 178 H LYS 20 H LYS 20 8.524 -7.406 6.111 179 HA LYS 20 HA LYS 20 8.102 -8.849 8.504 180 HB2 LYS 20 2HB LYS 20 10.125 -6.629 7.959 181 HB3 LYS 20 3HB LYS 20 10.165 -7.678 9.371 182 HG2 LYS 20 2HG LYS 20 10.548 -8.507 6.486 183 HG3 LYS 20 3HG LYS 20 11.794 -8.413 7.723 184 HD2 LYS 20 2HD LYS 20 9.428 -10.327 7.772 185 HD3 LYS 20 3HD LYS 20 11.059 -10.743 7.252 186 HE2 LYS 20 2HE LYS 20 11.930 -10.346 9.490 187 HE3 LYS 20 3HE LYS 20 10.350 -9.769 10.036 188 HZ1 LYS 20 3HZ LYS 20 10.944 -12.524 9.082 189 HZ2 LYS 20 1HZ LYS 20 9.436 -11.969 9.603 190 HZ3 LYS 20 2HZ LYS 20 10.725 -12.067 10.692 191 H MET 21 H MET 21 7.660 -5.449 7.725 192 HA MET 21 HA MET 21 6.977 -4.586 10.377 193 HB2 MET 21 2HB MET 21 6.761 -3.326 7.619 194 HB3 MET 21 3HB MET 21 6.060 -2.538 9.032 195 HG2 MET 21 2HG MET 21 8.971 -3.252 8.640 196 HG3 MET 21 3HG MET 21 8.260 -1.641 8.607 197 HE1 MET 21 3HE MET 21 6.955 -0.617 10.811 198 HE2 MET 21 1HE MET 21 7.038 -1.378 12.401 199 HE3 MET 21 2HE MET 21 6.107 -2.137 11.110 200 H ALA 22 H ALA 22 5.103 -5.552 7.508 201 HA ALA 22 HA ALA 22 2.538 -5.035 8.524 202 HB1 ALA 22 3HB ALA 22 3.370 -7.175 6.529 203 HB2 ALA 22 1HB ALA 22 2.991 -5.496 6.146 204 HB3 ALA 22 2HB ALA 22 1.732 -6.561 6.772 205 H GLU 23 H GLU 23 4.666 -7.837 8.889 206 HA GLU 23 HA GLU 23 2.957 -9.658 10.181 207 HB2 GLU 23 2HB GLU 23 5.965 -9.247 10.483 208 HB3 GLU 23 3HB GLU 23 5.099 -10.648 11.104 209 HG2 GLU 23 2HG GLU 23 4.577 -11.412 8.879 210 HG3 GLU 23 3HG GLU 23 5.162 -9.914 8.162 211 H LYS 24 H LYS 24 5.208 -7.255 11.531 212 HA LYS 24 HA LYS 24 4.667 -7.701 14.278 213 HB2 LYS 24 2HB LYS 24 5.800 -5.238 12.865 214 HB3 LYS 24 3HB LYS 24 5.820 -5.483 14.612 215 HG2 LYS 24 2HG LYS 24 7.237 -7.473 14.340 216 HG3 LYS 24 3HG LYS 24 7.200 -7.272 12.586 217 HD2 LYS 24 2HD LYS 24 8.382 -5.113 12.791 218 HD3 LYS 24 3HD LYS 24 8.382 -5.266 14.552 219 HE2 LYS 24 2HE LYS 24 9.752 -7.348 14.330 220 HE3 LYS 24 3HE LYS 24 9.805 -7.094 12.584 221 HZ1 LYS 24 3HZ LYS 24 11.796 -6.287 13.713 222 HZ2 LYS 24 1HZ LYS 24 10.866 -5.197 14.611 223 HZ3 LYS 24 2HZ LYS 24 10.980 -5.034 12.931 224 H ALA 25 H ALA 25 3.313 -5.474 11.897 225 HA ALA 25 HA ALA 25 1.618 -4.030 13.733 226 HB1 ALA 25 3HB ALA 25 1.675 -4.106 10.689 227 HB2 ALA 25 1HB ALA 25 2.561 -2.981 11.722 228 HB3 ALA 25 2HB ALA 25 0.799 -2.935 11.682 229 H ASN 26 H ASN 26 1.405 -6.986 11.990 230 HA ASN 26 HA ASN 26 -0.128 -8.600 11.670 231 HB2 ASN 26 2HB ASN 26 -1.606 -7.141 13.908 232 HB3 ASN 26 3HB ASN 26 -2.136 -8.681 13.243 233 HD21 ASN 26 1HD2 ASN 26 0.423 -7.085 15.049 234 HD22 ASN 26 2HD2 ASN 26 1.067 -8.521 15.762 235 H LEU 27 H LEU 27 -0.219 -6.161 10.070 236 HA LEU 27 HA LEU 27 -3.057 -5.887 9.324 237 HB2 LEU 27 2HB LEU 27 -0.661 -4.413 8.147 238 HB3 LEU 27 3HB LEU 27 -2.359 -4.009 7.945 239 HG LEU 27 HG LEU 27 -0.671 -3.696 10.444 240 HD11 LEU 27 1HD1 LEU 27 -0.377 -1.917 8.809 241 HD12 LEU 27 2HD1 LEU 27 -1.203 -1.310 10.241 242 HD13 LEU 27 3HD1 LEU 27 -2.119 -1.629 8.766 243 HD21 LEU 27 3HD2 LEU 27 -3.675 -3.415 10.221 244 HD22 LEU 27 1HD2 LEU 27 -2.718 -2.765 11.556 245 HD23 LEU 27 2HD2 LEU 27 -2.764 -4.502 11.266 246 H GLU 28 H GLU 28 -3.734 -6.187 7.091 247 HA GLU 28 HA GLU 28 -2.474 -8.509 5.866 248 HB2 GLU 28 2HB GLU 28 -5.044 -7.008 5.218 249 HB3 GLU 28 3HB GLU 28 -4.462 -8.372 4.270 250 HG2 GLU 28 2HG GLU 28 -6.147 -9.191 5.755 251 HG3 GLU 28 3HG GLU 28 -4.599 -9.792 6.333 252 H LEU 29 H LEU 29 -0.973 -8.326 4.374 253 HA LEU 29 HA LEU 29 -0.648 -5.829 2.822 254 HB2 LEU 29 2HB LEU 29 1.232 -6.453 4.287 255 HB3 LEU 29 3HB LEU 29 1.376 -8.011 3.502 256 HG LEU 29 HG LEU 29 1.688 -5.544 1.768 257 HD11 LEU 29 1HD1 LEU 29 3.913 -6.518 3.586 258 HD12 LEU 29 2HD1 LEU 29 3.046 -4.988 3.735 259 HD13 LEU 29 3HD1 LEU 29 4.053 -5.290 2.322 260 HD21 LEU 29 3HD2 LEU 29 1.801 -7.733 0.684 261 HD22 LEU 29 1HD2 LEU 29 3.103 -8.236 1.768 262 HD23 LEU 29 2HD2 LEU 29 3.369 -6.935 0.604 263 H ARG 30 H ARG 30 -1.060 -5.906 0.725 264 HA ARG 30 HA ARG 30 -1.112 -8.477 -0.750 265 HB2 ARG 30 2HB ARG 30 -2.525 -5.854 -1.408 266 HB3 ARG 30 3HB ARG 30 -2.606 -7.312 -2.376 267 HG2 ARG 30 2HG ARG 30 -3.711 -7.018 0.436 268 HG3 ARG 30 3HG ARG 30 -4.653 -6.907 -1.050 269 HD2 ARG 30 2HD ARG 30 -3.946 -9.267 -1.587 270 HD3 ARG 30 3HD ARG 30 -3.210 -9.353 0.020 271 HE ARG 30 HE ARG 30 -6.071 -8.728 -0.342 272 HH11 ARG 30 1HH1 ARG 30 -3.626 -10.814 1.096 273 HH12 ARG 30 2HH1 ARG 30 -4.774 -11.655 2.090 274 HH21 ARG 30 1HH2 ARG 30 -7.545 -9.809 0.956 275 HH22 ARG 30 2HH2 ARG 30 -7.010 -11.085 2.014 276 H THR 31 H THR 31 0.594 -8.681 -2.119 277 HA THR 31 HA THR 31 2.341 -6.475 -2.770 278 HB THR 31 HB THR 31 3.582 -8.177 -4.139 279 HG1 THR 31 HG1 THR 31 2.032 -9.585 -4.822 280 HG21 THR 31 3HG2 THR 31 4.097 -7.910 -1.730 281 HG22 THR 31 1HG2 THR 31 4.308 -9.586 -2.249 282 HG23 THR 31 2HG2 THR 31 2.874 -9.121 -1.331 283 H VAL 32 H VAL 32 1.794 -5.058 -4.248 284 HA VAL 32 HA VAL 32 -0.051 -5.675 -6.448 285 HB VAL 32 HB VAL 32 1.062 -2.974 -5.536 286 HG11 VAL 32 1HG1 VAL 32 -0.778 -2.000 -6.840 287 HG12 VAL 32 2HG1 VAL 32 -1.285 -3.606 -7.362 288 HG13 VAL 32 3HG1 VAL 32 0.281 -2.965 -7.868 289 HG21 VAL 32 3HG2 VAL 32 -0.232 -3.965 -3.716 290 HG22 VAL 32 1HG2 VAL 32 -1.590 -4.260 -4.803 291 HG23 VAL 32 2HG2 VAL 32 -1.114 -2.607 -4.417 292 H LYS 33 H LYS 33 0.625 -5.598 -8.562 293 HA LYS 33 HA LYS 33 3.507 -5.181 -9.091 294 HB2 LYS 33 2HB LYS 33 1.488 -6.791 -10.723 295 HB3 LYS 33 3HB LYS 33 3.221 -6.670 -11.022 296 HG2 LYS 33 2HG LYS 33 3.564 -7.697 -8.693 297 HG3 LYS 33 3HG LYS 33 1.831 -8.038 -8.700 298 HD2 LYS 33 2HD LYS 33 3.038 -10.025 -9.432 299 HD3 LYS 33 3HD LYS 33 2.131 -9.366 -10.797 300 HE2 LYS 33 2HE LYS 33 4.185 -8.308 -11.657 301 HE3 LYS 33 3HE LYS 33 5.091 -8.927 -10.278 302 HZ1 LYS 33 3HZ LYS 33 5.404 -10.287 -12.249 303 HZ2 LYS 33 1HZ LYS 33 3.747 -10.602 -12.331 304 HZ3 LYS 33 2HZ LYS 33 4.651 -11.170 -11.023 305 H THR 34 H THR 34 0.473 -5.002 -10.983 306 HA THR 34 HA THR 34 1.392 -2.527 -12.317 307 HB THR 34 HB THR 34 -0.440 -3.047 -13.964 308 HG1 THR 34 HG1 THR 34 -1.291 -5.307 -13.706 309 HG21 THR 34 3HG2 THR 34 1.846 -3.903 -14.408 310 HG22 THR 34 1HG2 THR 34 0.614 -5.012 -15.014 311 HG23 THR 34 2HG2 THR 34 1.468 -5.379 -13.516 312 H GLU 35 H GLU 35 -0.536 -1.078 -12.926 313 HA GLU 35 HA GLU 35 -1.910 -0.064 -10.702 314 HB2 GLU 35 2HB GLU 35 -3.202 1.293 -12.318 315 HB3 GLU 35 3HB GLU 35 -1.481 1.314 -12.686 316 HG2 GLU 35 2HG GLU 35 -1.802 -0.253 -14.535 317 HG3 GLU 35 3HG GLU 35 -3.509 -0.429 -14.125 318 H ASP 36 H ASP 36 -2.771 -2.533 -13.039 319 HA ASP 36 HA ASP 36 -5.556 -2.657 -12.482 320 HB2 ASP 36 2HB ASP 36 -3.700 -4.697 -13.785 321 HB3 ASP 36 3HB ASP 36 -5.462 -4.794 -13.789 322 H GLU 37 H GLU 37 -2.729 -4.333 -11.126 323 HA GLU 37 HA GLU 37 -4.170 -6.108 -9.421 324 HB2 GLU 37 2HB GLU 37 -1.420 -4.880 -8.911 325 HB3 GLU 37 3HB GLU 37 -2.089 -6.281 -8.089 326 HG2 GLU 37 2HG GLU 37 -1.404 -6.125 -11.025 327 HG3 GLU 37 3HG GLU 37 -0.411 -6.883 -9.787 328 H LEU 38 H LEU 38 -3.045 -2.784 -9.105 329 HA LEU 38 HA LEU 38 -3.589 -2.314 -6.380 330 HB2 LEU 38 2HB LEU 38 -2.214 -0.934 -8.124 331 HB3 LEU 38 3HB LEU 38 -3.736 -0.218 -8.602 332 HG LEU 38 HG LEU 38 -2.303 1.178 -7.049 333 HD11 LEU 38 1HD1 LEU 38 -4.104 2.001 -5.642 334 HD12 LEU 38 2HD1 LEU 38 -5.049 0.541 -5.954 335 HD13 LEU 38 3HD1 LEU 38 -4.686 1.661 -7.271 336 HD21 LEU 38 3HD2 LEU 38 -2.208 0.644 -4.669 337 HD22 LEU 38 1HD2 LEU 38 -1.459 -0.636 -5.619 338 HD23 LEU 38 2HD2 LEU 38 -3.073 -0.869 -4.944 339 H LYS 39 H LYS 39 -5.520 -1.900 -9.315 340 HA LYS 39 HA LYS 39 -7.878 -0.817 -8.262 341 HB2 LYS 39 2HB LYS 39 -7.519 -2.652 -10.670 342 HB3 LYS 39 3HB LYS 39 -8.957 -1.689 -10.344 343 HG2 LYS 39 2HG LYS 39 -7.763 0.368 -10.725 344 HG3 LYS 39 3HG LYS 39 -6.217 -0.476 -10.791 345 HD2 LYS 39 2HD LYS 39 -7.057 -1.710 -12.835 346 HD3 LYS 39 3HD LYS 39 -8.492 -0.684 -12.806 347 HE2 LYS 39 2HE LYS 39 -7.140 1.300 -13.188 348 HE3 LYS 39 3HE LYS 39 -5.652 0.360 -13.047 349 HZ1 LYS 39 3HZ LYS 39 -6.122 0.724 -15.342 350 HZ2 LYS 39 1HZ LYS 39 -7.703 0.137 -15.186 351 HZ3 LYS 39 2HZ LYS 39 -6.387 -0.916 -15.025 352 H LYS 40 H LYS 40 -7.064 -4.262 -8.975 353 HA LYS 40 HA LYS 40 -9.621 -5.275 -8.283 354 HB2 LYS 40 2HB LYS 40 -8.683 -7.499 -8.556 355 HB3 LYS 40 3HB LYS 40 -8.074 -6.453 -9.830 356 HG2 LYS 40 2HG LYS 40 -5.940 -6.222 -8.612 357 HG3 LYS 40 3HG LYS 40 -6.537 -7.305 -7.357 358 HD2 LYS 40 2HD LYS 40 -6.161 -8.051 -10.286 359 HD3 LYS 40 3HD LYS 40 -5.031 -8.438 -8.989 360 HE2 LYS 40 2HE LYS 40 -7.887 -9.436 -9.226 361 HE3 LYS 40 3HE LYS 40 -6.425 -10.376 -9.520 362 HZ1 LYS 40 3HZ LYS 40 -7.191 -10.905 -7.369 363 HZ2 LYS 40 1HZ LYS 40 -7.373 -9.284 -6.932 364 HZ3 LYS 40 2HZ LYS 40 -5.830 -9.933 -7.152 365 H TYR 41 H TYR 41 -6.695 -4.819 -6.376 366 HA TYR 41 HA TYR 41 -7.630 -6.198 -4.039 367 HB2 TYR 41 2HB TYR 41 -5.469 -4.074 -4.336 368 HB3 TYR 41 3HB TYR 41 -5.792 -4.937 -2.838 369 HD1 TYR 41 HD1 TYR 41 -6.259 -7.740 -3.923 370 HD2 TYR 41 HD2 TYR 41 -3.277 -4.834 -4.883 371 HE1 TYR 41 HE1 TYR 41 -4.726 -9.534 -4.626 372 HE2 TYR 41 HE2 TYR 41 -1.752 -6.623 -5.583 373 HH TYR 41 HH TYR 41 -2.747 -9.745 -6.188 374 H LEU 42 H LEU 42 -7.704 -2.760 -5.075 375 HA LEU 42 HA LEU 42 -9.040 -1.754 -2.807 376 HB2 LEU 42 2HB LEU 42 -9.065 -0.801 -5.690 377 HB3 LEU 42 3HB LEU 42 -9.880 0.068 -4.400 378 HG LEU 42 HG LEU 42 -6.879 -0.439 -4.544 379 HD11 LEU 42 1HD1 LEU 42 -7.638 1.146 -6.247 380 HD12 LEU 42 2HD1 LEU 42 -6.689 1.961 -5.008 381 HD13 LEU 42 3HD1 LEU 42 -8.448 2.118 -5.014 382 HD21 LEU 42 3HD2 LEU 42 -8.477 1.180 -2.523 383 HD22 LEU 42 1HD2 LEU 42 -6.714 1.118 -2.633 384 HD23 LEU 42 2HD2 LEU 42 -7.619 -0.334 -2.215 385 H GLU 43 H GLU 43 -10.345 -3.327 -5.737 386 HA GLU 43 HA GLU 43 -13.103 -2.956 -5.231 387 HB2 GLU 43 2HB GLU 43 -11.781 -5.314 -6.648 388 HB3 GLU 43 3HB GLU 43 -13.484 -4.878 -6.744 389 HG2 GLU 43 2HG GLU 43 -12.808 -2.697 -7.795 390 HG3 GLU 43 3HG GLU 43 -11.146 -3.280 -7.826 391 H GLU 44 H GLU 44 -10.878 -5.541 -4.334 392 HA GLU 44 HA GLU 44 -12.484 -7.270 -2.841 393 HB2 GLU 44 2HB GLU 44 -10.138 -7.728 -3.504 394 HB3 GLU 44 3HB GLU 44 -9.571 -6.434 -2.462 395 HG2 GLU 44 2HG GLU 44 -10.493 -7.771 -0.500 396 HG3 GLU 44 3HG GLU 44 -10.735 -9.099 -1.636 397 H PHE 45 H PHE 45 -10.927 -4.217 -1.956 398 HA PHE 45 HA PHE 45 -11.831 -4.233 0.777 399 HB2 PHE 45 2HB PHE 45 -10.629 -1.960 -0.862 400 HB3 PHE 45 3HB PHE 45 -10.797 -1.997 0.888 401 HD1 PHE 45 HD2 PHE 45 -9.904 -5.123 0.945 402 HD2 PHE 45 HD1 PHE 45 -8.213 -1.514 -0.634 403 HE1 PHE 45 HE2 PHE 45 -7.652 -6.102 1.084 404 HE2 PHE 45 HE1 PHE 45 -5.972 -2.516 -0.486 405 HZ PHE 45 HZ PHE 45 -5.686 -4.804 0.370 406 H ARG 46 H ARG 46 -13.184 -3.011 -2.250 407 HA ARG 46 HA ARG 46 -14.893 -1.006 -1.127 408 HB2 ARG 46 2HB ARG 46 -14.999 -2.424 -3.817 409 HB3 ARG 46 3HB ARG 46 -16.159 -1.182 -3.347 410 HG2 ARG 46 2HG ARG 46 -14.256 0.420 -3.060 411 HG3 ARG 46 3HG ARG 46 -13.172 -0.825 -3.685 412 HD2 ARG 46 2HD ARG 46 -13.749 0.704 -5.465 413 HD3 ARG 46 3HD ARG 46 -14.483 -0.861 -5.807 414 HE ARG 46 HE ARG 46 -16.490 0.411 -4.575 415 HH11 ARG 46 1HH1 ARG 46 -14.436 1.506 -7.231 416 HH12 ARG 46 2HH1 ARG 46 -15.671 2.523 -7.903 417 HH21 ARG 46 1HH2 ARG 46 -18.064 1.749 -5.457 418 HH22 ARG 46 2HH2 ARG 46 -17.729 2.663 -6.898 419 H LYS 47 H LYS 47 -15.315 -4.436 -1.810 420 HA LYS 47 HA LYS 47 -18.142 -4.586 -1.421 421 HB2 LYS 47 2HB LYS 47 -17.802 -7.026 -1.296 422 HB3 LYS 47 3HB LYS 47 -16.874 -6.334 -2.620 423 HG2 LYS 47 2HG LYS 47 -14.831 -6.409 -1.223 424 HG3 LYS 47 3HG LYS 47 -15.761 -7.139 0.084 425 HD2 LYS 47 2HD LYS 47 -15.279 -8.369 -2.661 426 HD3 LYS 47 3HD LYS 47 -14.467 -8.830 -1.165 427 HE2 LYS 47 2HE LYS 47 -16.744 -9.455 -0.234 428 HE3 LYS 47 3HE LYS 47 -17.401 -9.193 -1.850 429 HZ1 LYS 47 3HZ LYS 47 -16.951 -11.496 -1.627 430 HZ2 LYS 47 1HZ LYS 47 -15.389 -11.220 -1.035 431 HZ3 LYS 47 2HZ LYS 47 -15.758 -10.876 -2.644 432 H GLU 48 H GLU 48 -15.606 -4.109 0.789 433 HA GLU 48 HA GLU 48 -17.368 -4.619 3.106 434 HB2 GLU 48 2HB GLU 48 -15.370 -5.363 4.386 435 HB3 GLU 48 3HB GLU 48 -15.682 -6.419 3.013 436 HG2 GLU 48 2HG GLU 48 -13.898 -5.279 1.734 437 HG3 GLU 48 3HG GLU 48 -13.571 -4.234 3.114 438 H SER 49 H SER 49 -16.645 -2.165 1.467 439 HA SER 49 HA SER 49 -14.724 -0.654 2.955 440 HB2 SER 49 2HB SER 49 -15.135 -0.295 0.515 441 HB3 SER 49 3HB SER 49 -16.698 0.413 0.909 442 HG SER 49 HG SER 49 -14.631 1.774 0.655 443 H GLN 50 H GLN 50 -15.473 -0.732 5.033 444 HA GLN 50 HA GLN 50 -16.867 1.662 5.777 445 HB2 GLN 50 2HB GLN 50 -18.345 0.402 7.490 446 HB3 GLN 50 3HB GLN 50 -18.854 0.380 5.812 447 HG2 GLN 50 2HG GLN 50 -19.241 -1.807 6.458 448 HG3 GLN 50 3HG GLN 50 -17.660 -1.930 5.691 449 HE21 GLN 50 1HE2 GLN 50 -17.007 -3.744 6.794 450 HE22 GLN 50 2HE2 GLN 50 -16.750 -3.803 8.501 451 H ASN 51 H ASN 51 -15.685 2.571 7.322 452 HA ASN 51 HA ASN 51 -14.120 2.974 8.944 453 HB2 ASN 51 2HB ASN 51 -14.682 0.118 9.893 454 HB3 ASN 51 3HB ASN 51 -13.935 1.398 10.839 455 HD21 ASN 51 1HD2 ASN 51 -16.927 0.198 9.514 456 HD22 ASN 51 2HD2 ASN 51 -17.972 1.215 10.440 457 H ILE 52 H ILE 52 -13.201 2.202 6.455 458 HA ILE 52 HA ILE 52 -11.007 0.266 6.898 459 HB ILE 52 HB ILE 52 -12.810 -0.540 5.405 460 HG12 ILE 52 2HG1 ILE 52 -10.274 -0.048 3.782 461 HG13 ILE 52 3HG1 ILE 52 -10.387 -1.237 5.077 462 HG21 ILE 52 1HG2 ILE 52 -13.183 0.454 3.175 463 HG22 ILE 52 2HG2 ILE 52 -12.084 1.773 3.579 464 HG23 ILE 52 3HG2 ILE 52 -13.596 1.581 4.470 465 HD11 ILE 52 3HD1 ILE 52 -12.154 -2.403 3.851 466 HD12 ILE 52 1HD1 ILE 52 -10.659 -2.287 2.927 467 HD13 ILE 52 2HD1 ILE 52 -12.015 -1.230 2.537 468 H LYS 53 H LYS 53 -9.005 0.791 6.238 469 HA LYS 53 HA LYS 53 -8.384 3.360 4.971 470 HB2 LYS 53 2HB LYS 53 -7.394 2.355 7.676 471 HB3 LYS 53 3HB LYS 53 -6.549 3.609 6.774 472 HG2 LYS 53 2HG LYS 53 -8.233 5.198 7.118 473 HG3 LYS 53 3HG LYS 53 -9.475 3.976 7.412 474 HD2 LYS 53 2HD LYS 53 -8.866 5.201 9.470 475 HD3 LYS 53 3HD LYS 53 -8.535 3.477 9.593 476 HE2 LYS 53 2HE LYS 53 -6.129 3.954 9.146 477 HE3 LYS 53 3HE LYS 53 -6.506 5.677 9.132 478 HZ1 LYS 53 3HZ LYS 53 -5.659 4.943 11.287 479 HZ2 LYS 53 1HZ LYS 53 -6.946 3.854 11.443 480 HZ3 LYS 53 2HZ LYS 53 -7.242 5.519 11.410 481 H VAL 54 H VAL 54 -6.828 3.085 3.495 482 HA VAL 54 HA VAL 54 -5.092 0.669 3.579 483 HB VAL 54 HB VAL 54 -6.087 2.084 1.057 484 HG11 VAL 54 1HG1 VAL 54 -4.589 -0.533 1.361 485 HG12 VAL 54 2HG1 VAL 54 -3.924 0.977 0.735 486 HG13 VAL 54 3HG1 VAL 54 -5.194 0.136 -0.157 487 HG21 VAL 54 3HG2 VAL 54 -7.582 0.156 0.691 488 HG22 VAL 54 1HG2 VAL 54 -7.976 0.982 2.201 489 HG23 VAL 54 2HG2 VAL 54 -7.078 -0.538 2.234 490 H LEU 55 H LEU 55 -2.935 0.930 3.055 491 HA LEU 55 HA LEU 55 -1.876 3.658 2.480 492 HB2 LEU 55 2HB LEU 55 -1.299 2.935 4.766 493 HB3 LEU 55 3HB LEU 55 -0.687 1.401 4.162 494 HG LEU 55 HG LEU 55 1.095 2.726 2.893 495 HD11 LEU 55 1HD1 LEU 55 0.179 5.027 4.625 496 HD12 LEU 55 2HD1 LEU 55 0.040 4.916 2.868 497 HD13 LEU 55 3HD1 LEU 55 1.631 4.983 3.620 498 HD21 LEU 55 3HD2 LEU 55 2.551 2.965 4.820 499 HD22 LEU 55 1HD2 LEU 55 1.582 1.500 4.952 500 HD23 LEU 55 2HD2 LEU 55 1.164 2.923 5.911 501 H ILE 56 H ILE 56 -0.998 3.711 0.485 502 HA ILE 56 HA ILE 56 -0.119 1.219 -0.836 503 HB ILE 56 HB ILE 56 -0.908 3.882 -2.134 504 HG12 ILE 56 2HG1 ILE 56 -2.468 1.251 -2.041 505 HG13 ILE 56 3HG1 ILE 56 -2.846 2.673 -1.078 506 HG21 ILE 56 1HG2 ILE 56 -0.831 2.610 -4.271 507 HG22 ILE 56 2HG2 ILE 56 -0.249 1.190 -3.404 508 HG23 ILE 56 3HG2 ILE 56 0.747 2.644 -3.480 509 HD11 ILE 56 3HD1 ILE 56 -4.323 2.478 -2.969 510 HD12 ILE 56 1HD1 ILE 56 -2.957 2.498 -4.085 511 HD13 ILE 56 2HD1 ILE 56 -3.331 3.926 -3.114 512 H LEU 57 H LEU 57 2.058 0.960 -0.787 513 HA LEU 57 HA LEU 57 3.884 3.295 -0.823 514 HB2 LEU 57 2HB LEU 57 4.528 0.360 -0.232 515 HB3 LEU 57 3HB LEU 57 5.669 1.689 -0.176 516 HG LEU 57 HG LEU 57 5.197 1.219 2.084 517 HD11 LEU 57 1HD1 LEU 57 4.084 3.190 2.978 518 HD12 LEU 57 2HD1 LEU 57 3.401 3.551 1.391 519 HD13 LEU 57 3HD1 LEU 57 5.148 3.607 1.637 520 HD21 LEU 57 3HD2 LEU 57 3.255 -0.244 1.768 521 HD22 LEU 57 1HD2 LEU 57 2.221 1.158 1.484 522 HD23 LEU 57 2HD2 LEU 57 2.976 0.914 3.063 523 H VAL 58 H VAL 58 4.513 3.830 -2.823 524 HA VAL 58 HA VAL 58 4.662 1.772 -4.956 525 HB VAL 58 HB VAL 58 4.338 3.533 -6.566 526 HG11 VAL 58 1HG1 VAL 58 2.376 3.975 -4.280 527 HG12 VAL 58 2HG1 VAL 58 2.284 2.701 -5.495 528 HG13 VAL 58 3HG1 VAL 58 2.101 4.386 -5.978 529 HG21 VAL 58 3HG2 VAL 58 5.704 5.297 -5.516 530 HG22 VAL 58 1HG2 VAL 58 4.446 5.564 -4.307 531 HG23 VAL 58 2HG2 VAL 58 4.132 5.910 -6.009 532 H SER 59 H SER 59 6.458 1.838 -6.418 533 HA SER 59 HA SER 59 8.978 2.690 -5.150 534 HB2 SER 59 2HB SER 59 8.484 0.908 -7.577 535 HB3 SER 59 3HB SER 59 10.056 1.215 -6.828 536 HG SER 59 HG SER 59 7.889 0.210 -5.326 537 H ASN 60 H ASN 60 6.838 3.785 -7.600 538 HA ASN 60 HA ASN 60 8.921 5.514 -8.836 539 HB2 ASN 60 2HB ASN 60 6.730 4.019 -10.360 540 HB3 ASN 60 3HB ASN 60 7.873 5.153 -11.069 541 HD21 ASN 60 1HD2 ASN 60 7.527 1.984 -9.623 542 HD22 ASN 60 2HD2 ASN 60 9.015 1.343 -10.211 543 H ASP 61 H ASP 61 8.221 7.513 -9.651 544 HA ASP 61 HA ASP 61 6.255 8.871 -8.155 545 HB2 ASP 61 2HB ASP 61 8.354 9.878 -9.165 546 HB3 ASP 61 3HB ASP 61 7.562 9.842 -10.736 547 H GLU 62 H GLU 62 6.115 7.420 -11.363 548 HA GLU 62 HA GLU 62 3.656 8.603 -12.200 549 HB2 GLU 62 2HB GLU 62 3.542 6.789 -13.895 550 HB3 GLU 62 3HB GLU 62 5.095 7.611 -13.888 551 HG2 GLU 62 2HG GLU 62 6.135 5.732 -12.723 552 HG3 GLU 62 3HG GLU 62 4.573 4.927 -12.573 553 H GLU 63 H GLU 63 4.480 5.669 -10.413 554 HA GLU 63 HA GLU 63 1.859 4.557 -10.259 555 HB2 GLU 63 2HB GLU 63 4.238 4.100 -8.404 556 HB3 GLU 63 3HB GLU 63 2.818 3.065 -8.545 557 HG2 GLU 63 2HG GLU 63 3.448 2.428 -10.810 558 HG3 GLU 63 3HG GLU 63 4.798 3.566 -10.786 559 H LEU 64 H LEU 64 3.721 6.844 -8.296 560 HA LEU 64 HA LEU 64 2.174 6.981 -5.986 561 HB2 LEU 64 2HB LEU 64 4.332 8.123 -6.175 562 HB3 LEU 64 3HB LEU 64 3.715 9.175 -7.438 563 HG LEU 64 HG LEU 64 2.147 10.210 -5.738 564 HD11 LEU 64 1HD1 LEU 64 3.709 8.572 -3.721 565 HD12 LEU 64 2HD1 LEU 64 2.001 8.391 -4.126 566 HD13 LEU 64 3HD1 LEU 64 2.565 9.863 -3.345 567 HD21 LEU 64 3HD2 LEU 64 5.103 10.400 -5.088 568 HD22 LEU 64 1HD2 LEU 64 3.863 11.575 -4.637 569 HD23 LEU 64 2HD2 LEU 64 4.245 11.309 -6.335 570 H ASP 65 H ASP 65 1.979 9.152 -8.822 571 HA ASP 65 HA ASP 65 -0.305 10.575 -7.997 572 HB2 ASP 65 2HB ASP 65 1.419 11.362 -9.680 573 HB3 ASP 65 3HB ASP 65 0.741 10.233 -10.850 574 H LYS 66 H LYS 66 0.125 7.687 -10.012 575 HA LYS 66 HA LYS 66 -2.542 7.607 -11.028 576 HB2 LYS 66 2HB LYS 66 -0.553 6.545 -12.165 577 HB3 LYS 66 3HB LYS 66 -0.541 5.306 -10.913 578 HG2 LYS 66 2HG LYS 66 -1.650 4.533 -12.996 579 HG3 LYS 66 3HG LYS 66 -2.756 4.524 -11.616 580 HD2 LYS 66 2HD LYS 66 -3.757 6.643 -12.364 581 HD3 LYS 66 3HD LYS 66 -2.611 6.742 -13.703 582 HE2 LYS 66 2HE LYS 66 -4.663 4.529 -13.363 583 HE3 LYS 66 3HE LYS 66 -4.892 5.964 -14.362 584 HZ1 LYS 66 3HZ LYS 66 -2.764 3.933 -14.733 585 HZ2 LYS 66 1HZ LYS 66 -2.991 5.305 -15.690 586 HZ3 LYS 66 2HZ LYS 66 -4.156 4.081 -15.671 587 H ALA 67 H ALA 67 -0.913 5.959 -8.296 588 HA ALA 67 HA ALA 67 -3.145 4.307 -7.609 589 HB1 ALA 67 3HB ALA 67 -0.868 3.714 -6.916 590 HB2 ALA 67 1HB ALA 67 -1.935 3.848 -5.519 591 HB3 ALA 67 2HB ALA 67 -0.790 5.143 -5.885 592 H LYS 68 H LYS 68 -2.149 7.609 -6.745 593 HA LYS 68 HA LYS 68 -4.105 8.148 -4.766 594 HB2 LYS 68 2HB LYS 68 -2.889 10.023 -6.850 595 HB3 LYS 68 3HB LYS 68 -3.951 10.566 -5.550 596 HG2 LYS 68 2HG LYS 68 -2.313 9.686 -3.893 597 HG3 LYS 68 3HG LYS 68 -1.229 9.272 -5.225 598 HD2 LYS 68 2HD LYS 68 -1.144 11.671 -5.877 599 HD3 LYS 68 3HD LYS 68 -2.209 12.068 -4.525 600 HE2 LYS 68 2HE LYS 68 -0.475 11.183 -2.958 601 HE3 LYS 68 3HE LYS 68 0.592 10.913 -4.339 602 HZ1 LYS 68 3HZ LYS 68 -0.518 13.548 -3.531 603 HZ2 LYS 68 1HZ LYS 68 0.555 13.270 -4.810 604 HZ3 LYS 68 2HZ LYS 68 1.050 13.011 -3.214 605 H GLU 69 H GLU 69 -4.152 8.438 -8.309 606 HA GLU 69 HA GLU 69 -6.729 9.473 -8.667 607 HB2 GLU 69 2HB GLU 69 -5.083 7.703 -10.539 608 HB3 GLU 69 3HB GLU 69 -6.594 8.478 -11.007 609 HG2 GLU 69 2HG GLU 69 -5.576 10.703 -10.545 610 HG3 GLU 69 3HG GLU 69 -4.052 9.904 -10.163 611 H LEU 70 H LEU 70 -5.635 6.076 -8.681 612 HA LEU 70 HA LEU 70 -8.106 4.859 -9.261 613 HB2 LEU 70 2HB LEU 70 -5.700 3.680 -7.792 614 HB3 LEU 70 3HB LEU 70 -7.017 2.748 -8.485 615 HG LEU 70 HG LEU 70 -5.001 4.409 -10.048 616 HD11 LEU 70 1HD1 LEU 70 -5.293 1.398 -9.869 617 HD12 LEU 70 2HD1 LEU 70 -4.011 2.371 -9.146 618 HD13 LEU 70 3HD1 LEU 70 -4.155 2.275 -10.899 619 HD21 LEU 70 3HD2 LEU 70 -6.007 3.503 -12.086 620 HD22 LEU 70 1HD2 LEU 70 -7.177 4.449 -11.170 621 HD23 LEU 70 2HD2 LEU 70 -7.248 2.686 -11.131 622 H ALA 71 H ALA 71 -6.431 5.357 -6.135 623 HA ALA 71 HA ALA 71 -8.236 4.117 -4.409 624 HB1 ALA 71 3HB ALA 71 -7.169 5.445 -2.630 625 HB2 ALA 71 1HB ALA 71 -6.442 6.498 -3.851 626 HB3 ALA 71 2HB ALA 71 -5.971 4.802 -3.753 627 H GLN 72 H GLN 72 -8.146 7.457 -5.559 628 HA GLN 72 HA GLN 72 -10.340 8.377 -3.954 629 HB2 GLN 72 2HB GLN 72 -8.889 9.643 -6.310 630 HB3 GLN 72 3HB GLN 72 -10.118 10.470 -5.349 631 HG2 GLN 72 2HG GLN 72 -8.730 10.284 -3.335 632 HG3 GLN 72 3HG GLN 72 -7.537 9.333 -4.222 633 HE21 GLN 72 1HE2 GLN 72 -5.871 10.785 -3.759 634 HE22 GLN 72 2HE2 GLN 72 -5.778 12.353 -4.485 635 H LYS 73 H LYS 73 -10.041 7.112 -7.272 636 HA LYS 73 HA LYS 73 -12.729 7.696 -8.049 637 HB2 LYS 73 2HB LYS 73 -10.887 5.493 -9.082 638 HB3 LYS 73 3HB LYS 73 -12.408 5.966 -9.826 639 HG2 LYS 73 2HG LYS 73 -9.886 7.617 -9.624 640 HG3 LYS 73 3HG LYS 73 -10.578 6.915 -11.076 641 HD2 LYS 73 2HD LYS 73 -11.801 9.148 -9.414 642 HD3 LYS 73 3HD LYS 73 -10.974 9.337 -10.958 643 HE2 LYS 73 2HE LYS 73 -12.732 7.962 -12.054 644 HE3 LYS 73 3HE LYS 73 -13.573 7.832 -10.505 645 HZ1 LYS 73 3HZ LYS 73 -13.769 10.265 -10.489 646 HZ2 LYS 73 1HZ LYS 73 -14.543 9.574 -11.825 647 HZ3 LYS 73 2HZ LYS 73 -13.046 10.340 -12.013 648 H MET 74 H MET 74 -11.260 5.102 -6.201 649 HA MET 74 HA MET 74 -13.702 3.531 -5.913 650 HB2 MET 74 2HB MET 74 -11.109 3.413 -4.289 651 HB3 MET 74 3HB MET 74 -12.398 2.217 -4.281 652 HG2 MET 74 2HG MET 74 -10.616 2.867 -6.619 653 HG3 MET 74 3HG MET 74 -10.490 1.460 -5.570 654 HE1 MET 74 3HE MET 74 -10.391 0.553 -8.320 655 HE2 MET 74 1HE MET 74 -11.756 -0.541 -8.532 656 HE3 MET 74 2HE MET 74 -10.824 -0.583 -7.036 657 H GLU 75 H GLU 75 -12.464 6.369 -4.588 658 HA GLU 75 HA GLU 75 -12.883 7.767 -2.881 659 HB2 GLU 75 2HB GLU 75 -15.557 6.305 -2.780 660 HB3 GLU 75 3HB GLU 75 -15.224 7.866 -2.035 661 HG2 GLU 75 2HG GLU 75 -14.745 8.819 -4.288 662 HG3 GLU 75 3HG GLU 75 -15.163 7.266 -5.010 663 H ILE 76 H ILE 76 -11.874 4.888 -2.176 664 HA ILE 76 HA ILE 76 -12.656 4.473 0.568 665 HB ILE 76 HB ILE 76 -10.188 3.351 -0.864 666 HG12 ILE 76 2HG1 ILE 76 -12.932 2.022 -0.595 667 HG13 ILE 76 3HG1 ILE 76 -12.321 2.760 -2.072 668 HG21 ILE 76 1HG2 ILE 76 -11.642 2.317 1.605 669 HG22 ILE 76 2HG2 ILE 76 -10.079 3.139 1.604 670 HG23 ILE 76 3HG2 ILE 76 -10.243 1.557 0.840 671 HD11 ILE 76 3HD1 ILE 76 -12.100 0.350 -2.145 672 HD12 ILE 76 1HD1 ILE 76 -11.132 0.361 -0.670 673 HD13 ILE 76 2HD1 ILE 76 -10.511 1.108 -2.146 674 H ASP 77 H ASP 77 -11.433 5.004 2.444 675 HA ASP 77 HA ASP 77 -9.889 7.415 2.360 676 HB2 ASP 77 2HB ASP 77 -11.488 6.785 4.200 677 HB3 ASP 77 3HB ASP 77 -10.378 5.511 4.691 678 H VAL 78 H VAL 78 -7.887 7.214 1.407 679 HA VAL 78 HA VAL 78 -6.044 5.024 2.217 680 HB VAL 78 HB VAL 78 -6.522 5.948 -0.668 681 HG11 VAL 78 1HG1 VAL 78 -4.998 4.113 -1.320 682 HG12 VAL 78 2HG1 VAL 78 -4.677 3.769 0.381 683 HG13 VAL 78 3HG1 VAL 78 -4.182 5.313 -0.316 684 HG21 VAL 78 3HG2 VAL 78 -7.410 3.665 -1.087 685 HG22 VAL 78 1HG2 VAL 78 -8.397 4.571 0.061 686 HG23 VAL 78 2HG2 VAL 78 -7.302 3.320 0.639 687 H ARG 79 H ARG 79 -3.897 5.584 2.330 688 HA ARG 79 HA ARG 79 -3.064 8.352 1.641 689 HB2 ARG 79 2HB ARG 79 -1.578 6.408 3.498 690 HB3 ARG 79 3HB ARG 79 -1.174 8.090 3.183 691 HG2 ARG 79 2HG ARG 79 -2.135 8.134 5.314 692 HG3 ARG 79 3HG ARG 79 -3.448 8.666 4.260 693 HD2 ARG 79 2HD ARG 79 -4.318 6.293 4.284 694 HD3 ARG 79 3HD ARG 79 -3.080 5.907 5.484 695 HE ARG 79 HE ARG 79 -4.184 7.792 6.822 696 HH11 ARG 79 1HH1 ARG 79 -5.955 5.641 4.661 697 HH12 ARG 79 2HH1 ARG 79 -7.444 5.796 5.549 698 HH21 ARG 79 1HH2 ARG 79 -6.156 7.982 7.945 699 HH22 ARG 79 2HH2 ARG 79 -7.555 7.108 7.388 700 H THR 80 H THR 80 -1.655 8.506 -0.048 701 HA THR 80 HA THR 80 -0.375 6.025 -1.065 702 HB THR 80 HB THR 80 -0.892 8.557 -2.691 703 HG1 THR 80 HG1 THR 80 -2.503 6.197 -2.599 704 HG21 THR 80 3HG2 THR 80 -0.307 5.681 -3.512 705 HG22 THR 80 1HG2 THR 80 0.816 7.042 -3.631 706 HG23 THR 80 2HG2 THR 80 -0.648 7.014 -4.617 707 H ARG 81 H ARG 81 1.691 5.946 -0.559 708 HA ARG 81 HA ARG 81 3.332 8.391 -0.248 709 HB2 ARG 81 2HB ARG 81 3.530 5.738 1.263 710 HB3 ARG 81 3HB ARG 81 4.659 7.072 1.435 711 HG2 ARG 81 2HG ARG 81 1.709 7.262 2.112 712 HG3 ARG 81 3HG ARG 81 2.965 6.859 3.282 713 HD2 ARG 81 2HD ARG 81 2.460 9.189 3.524 714 HD3 ARG 81 3HD ARG 81 4.056 9.068 2.781 715 HE ARG 81 HE ARG 81 1.701 9.486 1.067 716 HH11 ARG 81 1HH1 ARG 81 4.642 10.839 2.457 717 HH12 ARG 81 2HH1 ARG 81 4.671 12.191 1.371 718 HH21 ARG 81 1HH2 ARG 81 1.779 11.227 -0.370 719 HH22 ARG 81 2HH2 ARG 81 3.042 12.408 -0.232 720 H LYS 82 H LYS 82 5.105 8.491 -1.509 721 HA LYS 82 HA LYS 82 5.891 6.204 -3.165 722 HB2 LYS 82 2HB LYS 82 5.582 8.452 -4.211 723 HB3 LYS 82 3HB LYS 82 6.872 9.094 -3.199 724 HG2 LYS 82 2HG LYS 82 8.468 7.497 -4.285 725 HG3 LYS 82 3HG LYS 82 7.155 6.945 -5.331 726 HD2 LYS 82 2HD LYS 82 8.558 8.576 -6.515 727 HD3 LYS 82 3HD LYS 82 6.939 9.234 -6.268 728 HE2 LYS 82 2HE LYS 82 7.768 10.549 -4.344 729 HE3 LYS 82 3HE LYS 82 9.386 9.884 -4.580 730 HZ1 LYS 82 3HZ LYS 82 9.224 12.056 -5.551 731 HZ2 LYS 82 1HZ LYS 82 7.896 11.598 -6.497 732 HZ3 LYS 82 2HZ LYS 82 9.418 10.915 -6.781 733 H VAL 83 H VAL 83 7.691 5.061 -2.758 734 HA VAL 83 HA VAL 83 9.529 5.903 -0.602 735 HB VAL 83 HB VAL 83 9.707 3.600 0.151 736 HG11 VAL 83 1HG1 VAL 83 6.784 4.394 -0.146 737 HG12 VAL 83 2HG1 VAL 83 7.890 4.902 1.135 738 HG13 VAL 83 3HG1 VAL 83 7.412 3.211 1.004 739 HG21 VAL 83 3HG2 VAL 83 8.371 1.733 -0.768 740 HG22 VAL 83 1HG2 VAL 83 9.476 2.391 -1.978 741 HG23 VAL 83 2HG2 VAL 83 7.759 2.791 -2.043 742 H THR 84 H THR 84 11.665 5.813 -1.065 743 HA THR 84 HA THR 84 12.556 4.898 -3.710 744 HB THR 84 HB THR 84 14.740 5.966 -3.077 745 HG1 THR 84 HG1 THR 84 14.948 5.966 -0.934 746 HG21 THR 84 3HG2 THR 84 13.032 7.358 -4.212 747 HG22 THR 84 1HG2 THR 84 13.992 8.318 -3.082 748 HG23 THR 84 2HG2 THR 84 12.359 7.811 -2.644 749 H SER 85 H SER 85 13.627 4.560 -0.344 750 HA SER 85 HA SER 85 14.995 2.023 -0.869 751 HB2 SER 85 2HB SER 85 14.921 3.819 1.608 752 HB3 SER 85 3HB SER 85 15.974 2.417 1.381 753 HG SER 85 HG SER 85 16.860 3.536 -0.448 754 HA PRO 86 HA PRO 86 11.879 -0.531 1.253 755 HB2 PRO 86 2HB PRO 86 13.480 -2.093 2.932 756 HB3 PRO 86 3HB PRO 86 13.262 -2.387 1.196 757 HG2 PRO 86 2HG PRO 86 15.499 -0.919 2.568 758 HG3 PRO 86 3HG PRO 86 15.586 -2.163 1.294 759 HD2 PRO 86 2HD PRO 86 15.835 0.405 0.649 760 HD3 PRO 86 3HD PRO 86 14.870 -0.674 -0.387 761 H ASP 87 H ASP 87 14.309 1.116 3.163 762 HA ASP 87 HA ASP 87 13.248 0.964 5.753 763 HB2 ASP 87 2HB ASP 87 14.878 3.246 4.524 764 HB3 ASP 87 3HB ASP 87 14.706 2.916 6.245 765 H GLU 88 H GLU 88 12.586 3.159 3.082 766 HA GLU 88 HA GLU 88 11.023 5.084 4.434 767 HB2 GLU 88 2HB GLU 88 10.628 4.288 1.524 768 HB3 GLU 88 3HB GLU 88 10.308 5.851 2.257 769 HG2 GLU 88 2HG GLU 88 12.989 4.605 1.644 770 HG3 GLU 88 3HG GLU 88 12.281 6.033 0.901 771 H ALA 89 H ALA 89 10.168 2.153 2.599 772 HA ALA 89 HA ALA 89 7.358 2.356 2.761 773 HB1 ALA 89 3HB ALA 89 9.057 -0.139 2.401 774 HB2 ALA 89 1HB ALA 89 8.507 0.931 1.111 775 HB3 ALA 89 2HB ALA 89 7.332 -0.003 2.043 776 H LYS 90 H LYS 90 9.748 0.717 4.800 777 HA LYS 90 HA LYS 90 8.023 -0.679 6.519 778 HB2 LYS 90 2HB LYS 90 10.837 0.401 6.992 779 HB3 LYS 90 3HB LYS 90 10.024 -0.769 8.030 780 HG2 LYS 90 2HG LYS 90 9.990 -2.422 6.234 781 HG3 LYS 90 3HG LYS 90 10.655 -1.241 5.103 782 HD2 LYS 90 2HD LYS 90 12.481 -2.650 5.774 783 HD3 LYS 90 3HD LYS 90 12.715 -1.103 6.581 784 HE2 LYS 90 2HE LYS 90 11.846 -2.031 8.671 785 HE3 LYS 90 3HE LYS 90 11.493 -3.566 7.870 786 HZ1 LYS 90 3HZ LYS 90 14.199 -2.380 8.224 787 HZ2 LYS 90 1HZ LYS 90 13.859 -3.837 7.431 788 HZ3 LYS 90 2HZ LYS 90 13.562 -3.689 9.086 789 H ARG 91 H ARG 91 9.501 2.559 6.731 790 HA ARG 91 HA ARG 91 8.680 3.201 9.331 791 HB2 ARG 91 2HB ARG 91 10.421 4.494 8.147 792 HB3 ARG 91 3HB ARG 91 9.223 5.102 7.007 793 HG2 ARG 91 2HG ARG 91 8.098 6.353 8.757 794 HG3 ARG 91 3HG ARG 91 9.119 5.628 9.998 795 HD2 ARG 91 2HD ARG 91 11.083 6.791 9.103 796 HD3 ARG 91 3HD ARG 91 10.114 7.447 7.778 797 HE ARG 91 HE ARG 91 8.767 8.571 9.610 798 HH11 ARG 91 1HH1 ARG 91 12.218 7.942 9.996 799 HH12 ARG 91 2HH1 ARG 91 12.447 9.263 11.100 800 HH21 ARG 91 1HH2 ARG 91 9.071 10.259 11.081 801 HH22 ARG 91 2HH2 ARG 91 10.658 10.578 11.716 802 H TRP 92 H TRP 92 7.134 4.115 6.169 803 HA TRP 92 HA TRP 92 4.953 5.435 7.201 804 HB2 TRP 92 2HB TRP 92 5.071 3.780 4.651 805 HB3 TRP 92 3HB TRP 92 3.814 4.956 5.029 806 HD1 TRP 92 HD1 TRP 92 6.828 4.747 3.046 807 HE1 TRP 92 HE1 TRP 92 7.829 7.056 2.552 808 HE3 TRP 92 HE3 TRP 92 4.240 7.512 6.483 809 HZ2 TRP 92 HZ2 TRP 92 7.563 9.691 3.469 810 HZ3 TRP 92 HZ3 TRP 92 4.670 9.926 6.600 811 HH2 TRP 92 HH2 TRP 92 6.297 10.997 5.124 812 H ILE 93 H ILE 93 5.349 1.916 6.813 813 HA ILE 93 HA ILE 93 2.621 1.187 7.245 814 HB ILE 93 HB ILE 93 5.190 -0.420 7.634 815 HG12 ILE 93 2HG1 ILE 93 3.116 -0.526 5.393 816 HG13 ILE 93 3HG1 ILE 93 4.660 0.311 5.288 817 HG21 ILE 93 1HG2 ILE 93 3.430 -1.407 9.057 818 HG22 ILE 93 2HG2 ILE 93 3.783 -2.467 7.693 819 HG23 ILE 93 3HG2 ILE 93 2.328 -1.468 7.679 820 HD11 ILE 93 3HD1 ILE 93 4.750 -1.812 4.163 821 HD12 ILE 93 1HD1 ILE 93 4.279 -2.656 5.639 822 HD13 ILE 93 2HD1 ILE 93 5.831 -1.813 5.556 823 H LYS 94 H LYS 94 5.463 1.523 9.388 824 HA LYS 94 HA LYS 94 4.238 0.843 11.819 825 HB2 LYS 94 2HB LYS 94 6.703 1.121 11.490 826 HB3 LYS 94 3HB LYS 94 6.483 2.864 11.386 827 HG2 LYS 94 2HG LYS 94 5.768 2.978 13.708 828 HG3 LYS 94 3HG LYS 94 5.713 1.216 13.822 829 HD2 LYS 94 2HD LYS 94 7.724 2.009 14.929 830 HD3 LYS 94 3HD LYS 94 8.186 1.141 13.463 831 HE2 LYS 94 2HE LYS 94 9.536 3.150 13.696 832 HE3 LYS 94 3HE LYS 94 8.476 3.321 12.299 833 HZ1 LYS 94 3HZ LYS 94 7.047 4.750 13.553 834 HZ2 LYS 94 1HZ LYS 94 8.628 5.321 13.705 835 HZ3 LYS 94 2HZ LYS 94 7.915 4.475 14.977 836 H GLU 95 H GLU 95 4.518 4.008 10.161 837 HA GLU 95 HA GLU 95 3.356 5.603 12.191 838 HB2 GLU 95 2HB GLU 95 3.428 6.155 9.189 839 HB3 GLU 95 3HB GLU 95 3.159 7.349 10.450 840 HG2 GLU 95 2HG GLU 95 5.723 5.840 9.894 841 HG3 GLU 95 3HG GLU 95 5.422 7.547 9.616 842 H PHE 96 H PHE 96 2.001 3.809 9.507 843 HA PHE 96 HA PHE 96 -0.661 4.832 9.536 844 HB2 PHE 96 2HB PHE 96 0.386 3.739 7.578 845 HB3 PHE 96 3HB PHE 96 0.502 2.224 8.458 846 HD1 PHE 96 HD1 PHE 96 -2.165 4.742 7.567 847 HD2 PHE 96 HD2 PHE 96 -1.068 0.613 7.838 848 HE1 PHE 96 HE1 PHE 96 -4.344 4.091 6.623 849 HE2 PHE 96 HE2 PHE 96 -3.247 -0.022 6.900 850 HZ PHE 96 HZ PHE 96 -4.876 1.711 6.297 851 H SER 97 H SER 97 0.999 2.210 11.194 852 HA SER 97 HA SER 97 -1.334 1.129 12.499 853 HB2 SER 97 2HB SER 97 1.630 0.744 13.102 854 HB3 SER 97 3HB SER 97 0.308 -0.226 13.764 855 HG SER 97 HG SER 97 1.234 -0.070 11.105 856 H GLU 98 H GLU 98 1.159 3.553 13.298 857 HA GLU 98 HA GLU 98 0.407 3.938 16.017 858 HB2 GLU 98 2HB GLU 98 1.759 5.958 14.185 859 HB3 GLU 98 3HB GLU 98 1.729 6.009 15.941 860 HG2 GLU 98 2HG GLU 98 3.221 4.073 14.169 861 HG3 GLU 98 3HG GLU 98 3.899 5.277 15.248 862 H GLU 99 H GLU 99 -0.835 5.184 12.973 863 HA GLU 99 HA GLU 99 -2.551 7.191 13.926 864 HB2 GLU 99 2HB GLU 99 -2.955 5.231 11.633 865 HB3 GLU 99 3HB GLU 99 -4.014 6.603 11.933 866 HG2 GLU 99 2HG GLU 99 -1.060 6.785 11.276 867 HG3 GLU 99 3HG GLU 99 -2.373 7.005 10.124 868 H GLY 100 H GLY 100 -3.143 3.713 13.383 869 HA2 GLY 100 2HA GLY 100 -4.568 2.201 14.316 870 HA3 GLY 100 3HA GLY 100 -4.610 3.237 15.735 871 H GLY 101 H GLY 101 -6.288 4.741 15.973 872 HA2 GLY 101 2HA GLY 101 -8.714 4.220 14.390 873 HA3 GLY 101 3HA GLY 101 -8.636 4.986 15.965 874 H SER 102 H SER 102 -6.263 6.517 14.380 875 HA SER 102 HA SER 102 -7.639 8.960 14.005 876 HB2 SER 102 2HB SER 102 -5.276 8.983 14.519 877 HB3 SER 102 3HB SER 102 -4.881 7.984 13.125 878 HG SER 102 HG SER 102 -4.398 10.007 12.502 879 H LEU 103 H LEU 103 -9.069 9.350 12.416 880 HA LEU 103 HA LEU 103 -8.182 9.453 9.700 881 HB2 LEU 103 2HB LEU 103 -9.676 8.032 8.565 882 HB3 LEU 103 3HB LEU 103 -9.081 7.050 9.885 883 HG LEU 103 HG LEU 103 -11.829 8.376 9.785 884 HD11 LEU 103 1HD1 LEU 103 -11.630 6.576 8.133 885 HD12 LEU 103 2HD1 LEU 103 -12.727 6.121 9.431 886 HD13 LEU 103 3HD1 LEU 103 -11.092 5.453 9.387 887 HD21 LEU 103 3HD2 LEU 103 -11.091 8.128 12.102 888 HD22 LEU 103 1HD2 LEU 103 -10.716 6.425 11.835 889 HD23 LEU 103 2HD2 LEU 103 -12.387 6.993 11.748 890 H GLU 104 H GLU 104 -10.719 9.867 12.083 891 HA GLU 104 HA GLU 104 -12.604 11.347 10.633 892 HB2 GLU 104 2HB GLU 104 -13.612 11.954 12.768 893 HB3 GLU 104 3HB GLU 104 -13.101 10.279 12.831 894 HG2 GLU 104 2HG GLU 104 -11.540 12.568 14.051 895 HG3 GLU 104 3HG GLU 104 -12.708 11.603 14.939 896 H HIS 105 H HIS 105 -9.783 12.437 12.534 897 HA HIS 105 HA HIS 105 -10.204 15.193 11.694 898 HB2 HIS 105 2HB HIS 105 -8.139 15.737 12.897 899 HB3 HIS 105 3HB HIS 105 -9.264 14.866 13.919 900 HD1 HIS 105 HD1 HIS 105 -8.581 12.412 14.585 901 HD2 HIS 105 HD2 HIS 105 -5.619 14.575 12.635 902 HE1 HIS 105 HE1 HIS 105 -6.445 11.197 15.044 903 HE2 HIS 105 HE2 HIS 105 -4.728 12.391 13.674 904 H HIS 106 H HIS 106 -10.180 15.185 9.563 905 HA HIS 106 HA HIS 106 -7.620 14.630 8.182 906 HB2 HIS 106 2HB HIS 106 -9.073 14.202 6.113 907 HB3 HIS 106 3HB HIS 106 -9.069 12.948 7.339 908 HD1 HIS 106 HD1 HIS 106 -11.304 12.163 8.130 909 HD2 HIS 106 HD2 HIS 106 -11.564 15.796 6.150 910 HE1 HIS 106 HE1 HIS 106 -13.751 12.643 7.936 911 HE2 HIS 106 HE2 HIS 106 -13.867 14.715 6.518 912 H HIS 107 H HIS 107 -7.548 16.874 9.250 913 HA HIS 107 HA HIS 107 -8.749 19.046 7.718 914 HB2 HIS 107 2HB HIS 107 -6.605 19.058 9.897 915 HB3 HIS 107 3HB HIS 107 -7.287 20.509 9.170 916 HD1 HIS 107 HD1 HIS 107 -8.503 21.469 11.154 917 HD2 HIS 107 HD2 HIS 107 -9.406 17.456 10.584 918 HE1 HIS 107 HE1 HIS 107 -10.335 20.952 12.787 919 HE2 HIS 107 HE2 HIS 107 -11.001 18.592 12.260 920 H HIS 108 H HIS 108 -6.142 16.962 7.300 921 HA HIS 108 HA HIS 108 -4.836 18.693 5.290 922 HB2 HIS 108 2HB HIS 108 -3.853 16.161 6.687 923 HB3 HIS 108 3HB HIS 108 -2.972 16.992 5.405 924 HD1 HIS 108 HD1 HIS 108 -1.701 19.116 6.037 925 HD2 HIS 108 HD2 HIS 108 -3.899 17.538 9.185 926 HE1 HIS 108 HE1 HIS 108 -0.975 20.383 8.069 927 HE2 HIS 108 HE2 HIS 108 -2.461 19.549 9.905 928 H HIS 109 H HIS 109 -3.810 16.744 3.614 929 HA HIS 109 HA HIS 109 -6.250 15.536 2.430 930 HB2 HIS 109 2HB HIS 109 -3.716 16.517 1.029 931 HB3 HIS 109 3HB HIS 109 -5.101 15.774 0.234 932 HD1 HIS 109 HD1 HIS 109 -3.743 18.999 0.825 933 HD2 HIS 109 HD2 HIS 109 -7.591 17.442 0.842 934 HE1 HIS 109 HE1 HIS 109 -5.277 20.970 0.576 935 HE2 HIS 109 HE2 HIS 109 -7.588 20.016 0.777 936 H HIS 110 H HIS 110 -5.970 13.573 1.249 937 HA HIS 110 HA HIS 110 -4.100 11.682 2.504 938 HB2 HIS 110 2HB HIS 110 -6.839 11.406 1.230 939 HB3 HIS 110 3HB HIS 110 -5.783 10.009 1.288 940 HD1 HIS 110 HD1 HIS 110 -7.018 12.579 3.813 941 HD2 HIS 110 HD2 HIS 110 -6.258 8.517 3.482 942 HE1 HIS 110 HE1 HIS 110 -7.672 11.598 6.030 943 HE2 HIS 110 HE2 HIS 110 -7.487 9.120 5.667 Start of MODEL 9 1 H1 MET 1 1H MET 1 -10.551 -0.713 14.423 2 H2 MET 1 2H MET 1 -9.287 -1.705 13.896 3 H3 MET 1 3H MET 1 -10.882 -2.039 13.442 4 HA MET 1 HA MET 1 -11.024 -0.067 12.154 5 HB2 MET 1 2HB MET 1 -9.375 1.188 13.685 6 HB3 MET 1 3HB MET 1 -8.079 0.416 12.783 7 HG2 MET 1 2HG MET 1 -8.386 2.632 11.906 8 HG3 MET 1 3HG MET 1 -9.001 1.500 10.696 9 HE1 MET 1 3HE MET 1 -10.234 3.701 9.581 10 HE2 MET 1 1HE MET 1 -9.693 4.736 10.907 11 HE3 MET 1 2HE MET 1 -11.400 4.686 10.462 12 H LEU 2 H LEU 2 -10.997 -0.781 10.080 13 HA LEU 2 HA LEU 2 -9.443 -3.091 9.331 14 HB2 LEU 2 2HB LEU 2 -11.162 -1.296 7.566 15 HB3 LEU 2 3HB LEU 2 -10.655 -2.942 7.204 16 HG LEU 2 HG LEU 2 -12.556 -2.151 9.456 17 HD11 LEU 2 1HD1 LEU 2 -14.332 -3.170 8.124 18 HD12 LEU 2 2HD1 LEU 2 -13.199 -3.448 6.798 19 HD13 LEU 2 3HD1 LEU 2 -13.601 -1.800 7.289 20 HD21 LEU 2 3HD2 LEU 2 -11.759 -4.916 8.494 21 HD22 LEU 2 1HD2 LEU 2 -12.983 -4.555 9.715 22 HD23 LEU 2 2HD2 LEU 2 -11.293 -4.166 10.022 23 H LEU 3 H LEU 3 -7.266 -2.763 9.043 24 HA LEU 3 HA LEU 3 -6.342 -0.454 7.420 25 HB2 LEU 3 2HB LEU 3 -4.825 -2.006 9.552 26 HB3 LEU 3 3HB LEU 3 -4.198 -0.646 8.637 27 HG LEU 3 HG LEU 3 -6.470 -0.506 10.664 28 HD11 LEU 3 1HD1 LEU 3 -4.300 -0.944 11.722 29 HD12 LEU 3 2HD1 LEU 3 -4.897 0.665 12.113 30 HD13 LEU 3 3HD1 LEU 3 -3.609 0.470 10.920 31 HD21 LEU 3 3HD2 LEU 3 -6.279 1.938 10.441 32 HD22 LEU 3 1HD2 LEU 3 -6.757 1.177 8.924 33 HD23 LEU 3 2HD2 LEU 3 -5.096 1.733 9.146 34 H TYR 4 H TYR 4 -5.462 -0.950 5.519 35 HA TYR 4 HA TYR 4 -4.192 -3.580 5.055 36 HB2 TYR 4 2HB TYR 4 -6.115 -2.111 3.191 37 HB3 TYR 4 3HB TYR 4 -5.117 -3.471 2.684 38 HD1 TYR 4 HD1 TYR 4 -5.524 -5.745 3.635 39 HD2 TYR 4 HD2 TYR 4 -8.146 -2.480 4.492 40 HE1 TYR 4 HE1 TYR 4 -7.220 -7.323 4.430 41 HE2 TYR 4 HE2 TYR 4 -9.851 -4.069 5.289 42 HH TYR 4 HH TYR 4 -10.452 -6.424 5.003 43 H VAL 5 H VAL 5 -2.547 -3.583 3.531 44 HA VAL 5 HA VAL 5 -1.408 -0.989 2.670 45 HB VAL 5 HB VAL 5 0.109 -3.427 3.749 46 HG11 VAL 5 1HG1 VAL 5 1.214 -0.795 2.719 47 HG12 VAL 5 2HG1 VAL 5 1.375 -2.369 1.934 48 HG13 VAL 5 3HG1 VAL 5 2.160 -2.074 3.487 49 HG21 VAL 5 3HG2 VAL 5 0.833 -1.944 5.595 50 HG22 VAL 5 1HG2 VAL 5 -0.924 -2.113 5.562 51 HG23 VAL 5 2HG2 VAL 5 -0.168 -0.642 4.948 52 H LEU 6 H LEU 6 -1.048 -0.920 0.500 53 HA LEU 6 HA LEU 6 -0.711 -3.427 -1.061 54 HB2 LEU 6 2HB LEU 6 -1.708 -0.719 -2.071 55 HB3 LEU 6 3HB LEU 6 -1.609 -2.206 -3.002 56 HG LEU 6 HG LEU 6 -3.533 -1.608 -0.727 57 HD11 LEU 6 1HD1 LEU 6 -4.074 -2.069 -3.673 58 HD12 LEU 6 2HD1 LEU 6 -4.152 -0.526 -2.818 59 HD13 LEU 6 3HD1 LEU 6 -5.289 -1.809 -2.416 60 HD21 LEU 6 3HD2 LEU 6 -4.540 -3.812 -1.147 61 HD22 LEU 6 1HD2 LEU 6 -2.886 -3.935 -0.559 62 HD23 LEU 6 2HD2 LEU 6 -3.233 -4.197 -2.270 63 H ILE 7 H ILE 7 1.389 -3.645 -1.817 64 HA ILE 7 HA ILE 7 3.081 -1.203 -1.917 65 HB ILE 7 HB ILE 7 3.858 -2.864 -0.274 66 HG12 ILE 7 2HG1 ILE 7 5.725 -2.653 -2.682 67 HG13 ILE 7 3HG1 ILE 7 5.537 -1.444 -1.418 68 HG21 ILE 7 1HG2 ILE 7 4.691 -5.077 -0.916 69 HG22 ILE 7 2HG2 ILE 7 4.197 -4.798 -2.586 70 HG23 ILE 7 3HG2 ILE 7 2.978 -4.915 -1.314 71 HD11 ILE 7 3HD1 ILE 7 6.441 -3.010 0.221 72 HD12 ILE 7 1HD1 ILE 7 7.560 -2.736 -1.112 73 HD13 ILE 7 2HD1 ILE 7 6.631 -4.230 -1.042 74 H ILE 8 H ILE 8 3.636 -0.506 -3.891 75 HA ILE 8 HA ILE 8 3.858 -2.384 -6.158 76 HB ILE 8 HB ILE 8 3.759 0.674 -6.250 77 HG12 ILE 8 2HG1 ILE 8 1.461 -1.272 -6.765 78 HG13 ILE 8 3HG1 ILE 8 1.625 -0.275 -5.330 79 HG21 ILE 8 1HG2 ILE 8 4.837 -0.331 -8.211 80 HG22 ILE 8 2HG2 ILE 8 3.270 0.338 -8.662 81 HG23 ILE 8 3HG2 ILE 8 3.453 -1.403 -8.452 82 HD11 ILE 8 3HD1 ILE 8 0.005 0.628 -6.891 83 HD12 ILE 8 1HD1 ILE 8 1.246 0.766 -8.138 84 HD13 ILE 8 2HD1 ILE 8 1.357 1.727 -6.659 85 H SER 9 H SER 9 5.916 -3.169 -5.991 86 HA SER 9 HA SER 9 8.171 -1.436 -6.526 87 HB2 SER 9 2HB SER 9 8.081 -1.333 -4.032 88 HB3 SER 9 3HB SER 9 8.110 -3.091 -3.944 89 HG SER 9 HG SER 9 10.190 -2.600 -3.708 90 H ASN 10 H ASN 10 9.913 -2.603 -7.430 91 HA ASN 10 HA ASN 10 9.342 -5.394 -8.192 92 HB2 ASN 10 2HB ASN 10 9.962 -3.807 -10.002 93 HB3 ASN 10 3HB ASN 10 11.509 -3.504 -9.214 94 HD21 ASN 10 1HD2 ASN 10 12.869 -4.332 -10.728 95 HD22 ASN 10 2HD2 ASN 10 12.862 -5.966 -11.290 96 H ASP 11 H ASP 11 11.592 -3.426 -6.313 97 HA ASP 11 HA ASP 11 13.693 -5.316 -6.063 98 HB2 ASP 11 2HB ASP 11 13.966 -2.867 -5.585 99 HB3 ASP 11 3HB ASP 11 13.001 -3.061 -4.121 100 H LYS 12 H LYS 12 13.462 -7.227 -5.237 101 HA LYS 12 HA LYS 12 11.254 -8.121 -3.753 102 HB2 LYS 12 2HB LYS 12 13.919 -9.529 -4.192 103 HB3 LYS 12 3HB LYS 12 12.433 -10.302 -3.654 104 HG2 LYS 12 2HG LYS 12 12.885 -8.988 -6.354 105 HG3 LYS 12 3HG LYS 12 12.834 -10.723 -6.033 106 HD2 LYS 12 2HD LYS 12 10.458 -10.525 -5.352 107 HD3 LYS 12 3HD LYS 12 10.512 -8.787 -5.664 108 HE2 LYS 12 2HE LYS 12 10.920 -10.971 -7.741 109 HE3 LYS 12 3HE LYS 12 9.459 -10.007 -7.531 110 HZ1 LYS 12 3HZ LYS 12 12.132 -8.958 -8.309 111 HZ2 LYS 12 1HZ LYS 12 10.741 -8.022 -8.092 112 HZ3 LYS 12 2HZ LYS 12 10.807 -9.160 -9.338 113 H LYS 13 H LYS 13 14.372 -6.927 -2.669 114 HA LYS 13 HA LYS 13 14.220 -7.950 0.019 115 HB2 LYS 13 2HB LYS 13 15.891 -5.731 -1.223 116 HB3 LYS 13 3HB LYS 13 16.032 -6.212 0.467 117 HG2 LYS 13 2HG LYS 13 16.678 -8.504 -0.255 118 HG3 LYS 13 3HG LYS 13 16.574 -7.985 -1.939 119 HD2 LYS 13 2HD LYS 13 18.912 -7.963 -1.225 120 HD3 LYS 13 3HD LYS 13 18.372 -6.307 -1.513 121 HE2 LYS 13 2HE LYS 13 18.078 -5.985 0.924 122 HE3 LYS 13 3HE LYS 13 18.603 -7.646 1.206 123 HZ1 LYS 13 3HZ LYS 13 20.759 -7.108 0.322 124 HZ2 LYS 13 1HZ LYS 13 20.378 -6.023 1.562 125 HZ3 LYS 13 2HZ LYS 13 20.271 -5.534 -0.052 126 H LEU 14 H LEU 14 13.371 -4.902 -1.599 127 HA LEU 14 HA LEU 14 12.490 -3.438 0.637 128 HB2 LEU 14 2HB LEU 14 13.030 -2.608 -1.714 129 HB3 LEU 14 3HB LEU 14 11.458 -3.186 -2.220 130 HG LEU 14 HG LEU 14 11.746 -1.094 -0.024 131 HD11 LEU 14 1HD1 LEU 14 11.418 0.670 -1.707 132 HD12 LEU 14 2HD1 LEU 14 11.542 -0.533 -2.995 133 HD13 LEU 14 3HD1 LEU 14 12.930 -0.203 -1.954 134 HD21 LEU 14 3HD2 LEU 14 9.472 -0.409 -0.697 135 HD22 LEU 14 1HD2 LEU 14 9.520 -2.096 -0.188 136 HD23 LEU 14 2HD2 LEU 14 9.443 -1.699 -1.905 137 H ILE 15 H ILE 15 10.801 -5.593 -1.613 138 HA ILE 15 HA ILE 15 8.171 -5.375 -0.647 139 HB ILE 15 HB ILE 15 9.576 -7.686 -2.061 140 HG12 ILE 15 2HG1 ILE 15 7.691 -5.564 -3.203 141 HG13 ILE 15 3HG1 ILE 15 9.443 -5.531 -3.346 142 HG21 ILE 15 1HG2 ILE 15 6.591 -7.350 -1.604 143 HG22 ILE 15 2HG2 ILE 15 7.625 -8.590 -0.893 144 HG23 ILE 15 3HG2 ILE 15 7.336 -8.578 -2.632 145 HD11 ILE 15 3HD1 ILE 15 8.472 -6.311 -5.396 146 HD12 ILE 15 1HD1 ILE 15 7.593 -7.587 -4.552 147 HD13 ILE 15 2HD1 ILE 15 9.357 -7.630 -4.636 148 H GLU 16 H GLU 16 10.736 -7.722 0.084 149 HA GLU 16 HA GLU 16 9.379 -9.341 1.915 150 HB2 GLU 16 2HB GLU 16 12.284 -8.820 1.333 151 HB3 GLU 16 3HB GLU 16 11.890 -9.716 2.795 152 HG2 GLU 16 2HG GLU 16 10.934 -10.516 0.034 153 HG3 GLU 16 3HG GLU 16 12.401 -11.135 0.789 154 H GLU 17 H GLU 17 11.531 -6.562 2.604 155 HA GLU 17 HA GLU 17 11.381 -6.740 5.420 156 HB2 GLU 17 2HB GLU 17 12.111 -4.410 3.611 157 HB3 GLU 17 3HB GLU 17 12.255 -4.363 5.366 158 HG2 GLU 17 2HG GLU 17 13.844 -6.260 5.276 159 HG3 GLU 17 3HG GLU 17 13.733 -6.246 3.514 160 H ALA 18 H ALA 18 9.549 -4.746 3.090 161 HA ALA 18 HA ALA 18 8.000 -3.301 4.973 162 HB1 ALA 18 3HB ALA 18 8.292 -2.558 2.648 163 HB2 ALA 18 1HB ALA 18 6.582 -2.705 3.054 164 HB3 ALA 18 2HB ALA 18 7.366 -3.947 2.074 165 H ARG 19 H ARG 19 7.337 -6.279 3.128 166 HA ARG 19 HA ARG 19 4.719 -6.823 3.910 167 HB2 ARG 19 2HB ARG 19 5.782 -8.046 2.091 168 HB3 ARG 19 3HB ARG 19 6.964 -8.751 3.191 169 HG2 ARG 19 2HG ARG 19 5.192 -10.053 4.301 170 HG3 ARG 19 3HG ARG 19 3.972 -9.296 3.273 171 HD2 ARG 19 2HD ARG 19 6.250 -11.018 2.257 172 HD3 ARG 19 3HD ARG 19 4.609 -11.595 2.559 173 HE ARG 19 HE ARG 19 4.412 -9.410 0.840 174 HH11 ARG 19 1HH1 ARG 19 5.762 -12.657 0.721 175 HH12 ARG 19 2HH1 ARG 19 5.542 -12.802 -0.995 176 HH21 ARG 19 1HH2 ARG 19 4.090 -9.648 -1.395 177 HH22 ARG 19 2HH2 ARG 19 4.596 -11.106 -2.185 178 H LYS 20 H LYS 20 7.723 -8.022 5.305 179 HA LYS 20 HA LYS 20 6.468 -9.525 7.372 180 HB2 LYS 20 2HB LYS 20 9.360 -8.766 6.859 181 HB3 LYS 20 3HB LYS 20 8.883 -9.687 8.288 182 HG2 LYS 20 2HG LYS 20 7.931 -11.458 6.875 183 HG3 LYS 20 3HG LYS 20 8.312 -10.537 5.420 184 HD2 LYS 20 2HD LYS 20 10.404 -11.562 7.378 185 HD3 LYS 20 3HD LYS 20 9.907 -12.433 5.926 186 HE2 LYS 20 2HE LYS 20 10.591 -10.327 4.618 187 HE3 LYS 20 3HE LYS 20 11.367 -9.784 6.108 188 HZ1 LYS 20 3HZ LYS 20 12.733 -11.781 6.074 189 HZ2 LYS 20 1HZ LYS 20 12.915 -10.920 4.628 190 HZ3 LYS 20 2HZ LYS 20 11.961 -12.314 4.667 191 H MET 21 H MET 21 7.628 -6.204 7.201 192 HA MET 21 HA MET 21 7.322 -5.648 10.000 193 HB2 MET 21 2HB MET 21 7.701 -3.964 7.532 194 HB3 MET 21 3HB MET 21 7.068 -3.167 8.966 195 HG2 MET 21 2HG MET 21 9.674 -4.699 8.835 196 HG3 MET 21 3HG MET 21 9.509 -2.945 8.783 197 HE1 MET 21 3HE MET 21 8.124 -2.179 12.404 198 HE2 MET 21 1HE MET 21 7.136 -2.499 10.978 199 HE3 MET 21 2HE MET 21 8.576 -1.487 10.845 200 H ALA 22 H ALA 22 5.166 -5.431 7.183 201 HA ALA 22 HA ALA 22 2.960 -4.252 8.517 202 HB1 ALA 22 3HB ALA 22 3.188 -4.239 6.075 203 HB2 ALA 22 1HB ALA 22 1.651 -4.956 6.566 204 HB3 ALA 22 2HB ALA 22 2.980 -5.992 6.033 205 H GLU 23 H GLU 23 3.984 -7.609 8.068 206 HA GLU 23 HA GLU 23 1.726 -8.896 9.216 207 HB2 GLU 23 2HB GLU 23 4.631 -9.779 8.994 208 HB3 GLU 23 3HB GLU 23 3.323 -10.832 9.529 209 HG2 GLU 23 2HG GLU 23 2.237 -10.641 7.340 210 HG3 GLU 23 3HG GLU 23 3.493 -9.529 6.794 211 H LYS 24 H LYS 24 4.822 -7.758 10.568 212 HA LYS 24 HA LYS 24 4.400 -8.413 13.286 213 HB2 LYS 24 2HB LYS 24 6.065 -6.232 11.964 214 HB3 LYS 24 3HB LYS 24 6.095 -6.534 13.698 215 HG2 LYS 24 2HG LYS 24 7.033 -8.747 13.368 216 HG3 LYS 24 3HG LYS 24 6.842 -8.617 11.616 217 HD2 LYS 24 2HD LYS 24 9.186 -8.208 12.224 218 HD3 LYS 24 3HD LYS 24 8.466 -6.730 11.586 219 HE2 LYS 24 2HE LYS 24 8.137 -5.925 13.932 220 HE3 LYS 24 3HE LYS 24 8.949 -7.379 14.514 221 HZ1 LYS 24 3HZ LYS 24 10.481 -5.556 14.440 222 HZ2 LYS 24 1HZ LYS 24 10.150 -5.264 12.806 223 HZ3 LYS 24 2HZ LYS 24 10.928 -6.690 13.276 224 H ALA 25 H ALA 25 3.326 -5.722 11.306 225 HA ALA 25 HA ALA 25 2.212 -4.202 13.529 226 HB1 ALA 25 3HB ALA 25 3.374 -3.046 11.696 227 HB2 ALA 25 1HB ALA 25 1.690 -2.536 11.802 228 HB3 ALA 25 2HB ALA 25 2.192 -3.662 10.538 229 H ASN 26 H ASN 26 1.167 -6.898 12.009 230 HA ASN 26 HA ASN 26 -0.780 -8.054 12.016 231 HB2 ASN 26 2HB ASN 26 -1.237 -6.994 14.197 232 HB3 ASN 26 3HB ASN 26 -1.970 -5.613 13.404 233 HD21 ASN 26 1HD2 ASN 26 -4.099 -5.812 12.634 234 HD22 ASN 26 2HD2 ASN 26 -5.113 -7.154 13.026 235 H LEU 27 H LEU 27 -0.216 -5.446 10.142 236 HA LEU 27 HA LEU 27 -2.758 -5.034 8.824 237 HB2 LEU 27 2HB LEU 27 -0.014 -4.210 7.786 238 HB3 LEU 27 3HB LEU 27 -1.569 -3.490 7.399 239 HG LEU 27 HG LEU 27 -0.037 -3.248 10.014 240 HD11 LEU 27 1HD1 LEU 27 -0.786 -1.125 7.987 241 HD12 LEU 27 2HD1 LEU 27 0.822 -1.805 8.251 242 HD13 LEU 27 3HD1 LEU 27 0.053 -0.859 9.521 243 HD21 LEU 27 3HD2 LEU 27 -1.849 -1.762 10.798 244 HD22 LEU 27 1HD2 LEU 27 -2.365 -3.433 10.594 245 HD23 LEU 27 2HD2 LEU 27 -2.811 -2.222 9.392 246 H GLU 28 H GLU 28 -3.325 -5.806 6.737 247 HA GLU 28 HA GLU 28 -1.840 -8.125 5.729 248 HB2 GLU 28 2HB GLU 28 -4.304 -8.260 5.863 249 HB3 GLU 28 3HB GLU 28 -4.453 -6.882 4.774 250 HG2 GLU 28 2HG GLU 28 -3.317 -8.209 2.987 251 HG3 GLU 28 3HG GLU 28 -3.254 -9.590 4.079 252 H LEU 29 H LEU 29 -0.302 -7.865 4.239 253 HA LEU 29 HA LEU 29 -0.263 -5.435 2.552 254 HB2 LEU 29 2HB LEU 29 1.721 -5.641 3.940 255 HB3 LEU 29 3HB LEU 29 2.028 -7.265 3.358 256 HG LEU 29 HG LEU 29 1.922 -5.134 1.239 257 HD11 LEU 29 1HD1 LEU 29 4.265 -5.249 3.141 258 HD12 LEU 29 2HD1 LEU 29 3.126 -3.916 2.971 259 HD13 LEU 29 3HD1 LEU 29 4.192 -4.333 1.633 260 HD21 LEU 29 3HD2 LEU 29 2.453 -7.423 0.600 261 HD22 LEU 29 1HD2 LEU 29 3.805 -7.462 1.733 262 HD23 LEU 29 2HD2 LEU 29 3.856 -6.395 0.331 263 H ARG 30 H ARG 30 -0.646 -5.662 0.472 264 HA ARG 30 HA ARG 30 -0.603 -8.339 -0.788 265 HB2 ARG 30 2HB ARG 30 -2.410 -5.971 -1.443 266 HB3 ARG 30 3HB ARG 30 -2.421 -7.518 -2.269 267 HG2 ARG 30 2HG ARG 30 -3.106 -7.190 0.672 268 HG3 ARG 30 3HG ARG 30 -4.304 -7.130 -0.619 269 HD2 ARG 30 2HD ARG 30 -4.364 -9.331 0.294 270 HD3 ARG 30 3HD ARG 30 -3.588 -9.460 -1.283 271 HE ARG 30 HE ARG 30 -1.467 -9.269 0.347 272 HH11 ARG 30 1HH1 ARG 30 -4.279 -11.353 0.629 273 HH12 ARG 30 2HH1 ARG 30 -3.402 -12.589 1.469 274 HH21 ARG 30 1HH2 ARG 30 -0.351 -10.882 1.427 275 HH22 ARG 30 2HH2 ARG 30 -1.183 -12.324 1.918 276 H THR 31 H THR 31 0.818 -8.512 -2.415 277 HA THR 31 HA THR 31 2.421 -6.264 -3.242 278 HB THR 31 HB THR 31 2.863 -8.698 -4.862 279 HG1 THR 31 HG1 THR 31 2.362 -10.102 -3.367 280 HG21 THR 31 3HG2 THR 31 4.604 -6.974 -4.413 281 HG22 THR 31 1HG2 THR 31 5.122 -8.592 -3.915 282 HG23 THR 31 2HG2 THR 31 4.591 -7.422 -2.710 283 H VAL 32 H VAL 32 2.115 -5.073 -4.998 284 HA VAL 32 HA VAL 32 0.030 -5.789 -6.971 285 HB VAL 32 HB VAL 32 1.092 -3.044 -6.152 286 HG11 VAL 32 1HG1 VAL 32 0.424 -3.056 -8.512 287 HG12 VAL 32 2HG1 VAL 32 -0.709 -2.105 -7.553 288 HG13 VAL 32 3HG1 VAL 32 -1.153 -3.729 -8.085 289 HG21 VAL 32 3HG2 VAL 32 -0.300 -4.040 -4.376 290 HG22 VAL 32 1HG2 VAL 32 -1.608 -4.306 -5.535 291 HG23 VAL 32 2HG2 VAL 32 -1.114 -2.663 -5.119 292 H LYS 33 H LYS 33 0.994 -6.610 -8.722 293 HA LYS 33 HA LYS 33 3.645 -5.746 -9.601 294 HB2 LYS 33 2HB LYS 33 3.344 -7.630 -11.326 295 HB3 LYS 33 3HB LYS 33 3.539 -8.071 -9.642 296 HG2 LYS 33 2HG LYS 33 0.994 -8.246 -9.526 297 HG3 LYS 33 3HG LYS 33 1.011 -8.130 -11.292 298 HD2 LYS 33 2HD LYS 33 2.321 -10.152 -11.481 299 HD3 LYS 33 3HD LYS 33 2.602 -10.200 -9.738 300 HE2 LYS 33 2HE LYS 33 0.951 -11.840 -10.269 301 HE3 LYS 33 3HE LYS 33 0.137 -10.542 -9.415 302 HZ1 LYS 33 3HZ LYS 33 -0.729 -9.729 -11.491 303 HZ2 LYS 33 1HZ LYS 33 -1.116 -11.370 -11.339 304 HZ3 LYS 33 2HZ LYS 33 0.138 -10.888 -12.365 305 H THR 34 H THR 34 0.283 -5.504 -10.562 306 HA THR 34 HA THR 34 0.949 -3.410 -12.511 307 HB THR 34 HB THR 34 -0.728 -4.305 -14.158 308 HG1 THR 34 HG1 THR 34 -1.832 -6.060 -13.737 309 HG21 THR 34 3HG2 THR 34 1.513 -6.291 -13.576 310 HG22 THR 34 1HG2 THR 34 1.666 -4.827 -14.558 311 HG23 THR 34 2HG2 THR 34 0.630 -6.149 -15.102 312 H GLU 35 H GLU 35 -1.133 -2.193 -13.133 313 HA GLU 35 HA GLU 35 -2.559 -1.433 -10.794 314 HB2 GLU 35 2HB GLU 35 -3.874 0.079 -12.169 315 HB3 GLU 35 3HB GLU 35 -2.188 0.179 -12.636 316 HG2 GLU 35 2HG GLU 35 -4.237 -1.445 -14.173 317 HG3 GLU 35 3HG GLU 35 -3.882 0.246 -14.521 318 H ASP 36 H ASP 36 -3.153 -3.900 -13.149 319 HA ASP 36 HA ASP 36 -5.882 -4.419 -12.809 320 HB2 ASP 36 2HB ASP 36 -3.651 -6.503 -13.024 321 HB3 ASP 36 3HB ASP 36 -5.358 -6.783 -13.355 322 H GLU 37 H GLU 37 -3.089 -5.318 -10.824 323 HA GLU 37 HA GLU 37 -4.523 -6.820 -8.874 324 HB2 GLU 37 2HB GLU 37 -1.835 -5.461 -8.436 325 HB3 GLU 37 3HB GLU 37 -2.464 -6.898 -7.634 326 HG2 GLU 37 2HG GLU 37 -1.555 -6.656 -10.508 327 HG3 GLU 37 3HG GLU 37 -0.753 -7.534 -9.210 328 H LEU 38 H LEU 38 -3.310 -3.488 -9.054 329 HA LEU 38 HA LEU 38 -3.841 -2.610 -6.447 330 HB2 LEU 38 2HB LEU 38 -2.492 -1.525 -8.411 331 HB3 LEU 38 3HB LEU 38 -4.018 -0.849 -8.927 332 HG LEU 38 HG LEU 38 -2.532 0.736 -7.661 333 HD11 LEU 38 1HD1 LEU 38 -5.186 0.268 -6.298 334 HD12 LEU 38 2HD1 LEU 38 -4.919 1.205 -7.770 335 HD13 LEU 38 3HD1 LEU 38 -4.222 1.748 -6.246 336 HD21 LEU 38 3HD2 LEU 38 -2.253 0.540 -5.252 337 HD22 LEU 38 1HD2 LEU 38 -1.573 -0.868 -6.066 338 HD23 LEU 38 2HD2 LEU 38 -3.132 -0.992 -5.246 339 H LYS 39 H LYS 39 -5.789 -2.403 -9.392 340 HA LYS 39 HA LYS 39 -8.127 -1.225 -8.415 341 HB2 LYS 39 2HB LYS 39 -7.517 -3.012 -10.779 342 HB3 LYS 39 3HB LYS 39 -9.173 -2.507 -10.452 343 HG2 LYS 39 2HG LYS 39 -8.609 -0.180 -10.750 344 HG3 LYS 39 3HG LYS 39 -6.886 -0.557 -10.854 345 HD2 LYS 39 2HD LYS 39 -8.070 -0.099 -13.078 346 HD3 LYS 39 3HD LYS 39 -7.121 -1.583 -12.989 347 HE2 LYS 39 2HE LYS 39 -9.315 -1.884 -14.140 348 HE3 LYS 39 3HE LYS 39 -9.140 -2.918 -12.723 349 HZ1 LYS 39 3HZ LYS 39 -11.336 -1.865 -12.892 350 HZ2 LYS 39 1HZ LYS 39 -10.618 -0.342 -12.768 351 HZ3 LYS 39 2HZ LYS 39 -10.529 -1.425 -11.471 352 H LYS 40 H LYS 40 -7.370 -4.726 -8.885 353 HA LYS 40 HA LYS 40 -9.960 -5.607 -8.182 354 HB2 LYS 40 2HB LYS 40 -9.165 -7.841 -8.352 355 HB3 LYS 40 3HB LYS 40 -8.266 -6.920 -9.547 356 HG2 LYS 40 2HG LYS 40 -6.344 -6.832 -7.910 357 HG3 LYS 40 3HG LYS 40 -7.245 -7.931 -6.869 358 HD2 LYS 40 2HD LYS 40 -6.239 -8.502 -9.687 359 HD3 LYS 40 3HD LYS 40 -5.608 -9.174 -8.183 360 HE2 LYS 40 2HE LYS 40 -8.389 -9.683 -9.303 361 HE3 LYS 40 3HE LYS 40 -7.028 -10.800 -9.379 362 HZ1 LYS 40 3HZ LYS 40 -7.017 -10.883 -6.957 363 HZ2 LYS 40 1HZ LYS 40 -8.509 -11.373 -7.587 364 HZ3 LYS 40 2HZ LYS 40 -8.345 -9.839 -6.896 365 H TYR 41 H TYR 41 -7.085 -4.999 -6.258 366 HA TYR 41 HA TYR 41 -8.003 -6.178 -3.830 367 HB2 TYR 41 2HB TYR 41 -5.931 -3.986 -4.298 368 HB3 TYR 41 3HB TYR 41 -6.206 -4.769 -2.746 369 HD1 TYR 41 HD1 TYR 41 -6.597 -7.641 -3.977 370 HD2 TYR 41 HD2 TYR 41 -3.584 -4.641 -4.480 371 HE1 TYR 41 HE1 TYR 41 -4.959 -9.377 -4.575 372 HE2 TYR 41 HE2 TYR 41 -1.958 -6.379 -5.084 373 HH TYR 41 HH TYR 41 -2.855 -9.537 -5.882 374 H LEU 42 H LEU 42 -7.994 -2.785 -5.056 375 HA LEU 42 HA LEU 42 -9.311 -1.610 -2.862 376 HB2 LEU 42 2HB LEU 42 -9.184 -0.765 -5.770 377 HB3 LEU 42 3HB LEU 42 -9.920 0.225 -4.520 378 HG LEU 42 HG LEU 42 -6.985 -0.565 -4.660 379 HD11 LEU 42 1HD1 LEU 42 -7.612 1.084 -6.346 380 HD12 LEU 42 2HD1 LEU 42 -6.603 1.822 -5.106 381 HD13 LEU 42 3HD1 LEU 42 -8.345 2.110 -5.108 382 HD21 LEU 42 3HD2 LEU 42 -8.417 1.168 -2.611 383 HD22 LEU 42 1HD2 LEU 42 -6.666 0.969 -2.742 384 HD23 LEU 42 2HD2 LEU 42 -7.678 -0.410 -2.322 385 H GLU 43 H GLU 43 -10.707 -2.803 -5.928 386 HA GLU 43 HA GLU 43 -13.383 -2.106 -5.498 387 HB2 GLU 43 2HB GLU 43 -12.113 -4.274 -7.205 388 HB3 GLU 43 3HB GLU 43 -13.853 -3.980 -7.206 389 HG2 GLU 43 2HG GLU 43 -13.544 -1.733 -8.030 390 HG3 GLU 43 3HG GLU 43 -11.796 -1.859 -7.848 391 H GLU 44 H GLU 44 -11.512 -4.880 -4.477 392 HA GLU 44 HA GLU 44 -13.611 -6.418 -3.319 393 HB2 GLU 44 2HB GLU 44 -11.320 -7.251 -3.948 394 HB3 GLU 44 3HB GLU 44 -10.652 -6.334 -2.605 395 HG2 GLU 44 2HG GLU 44 -12.015 -7.704 -1.034 396 HG3 GLU 44 3HG GLU 44 -12.597 -8.652 -2.404 397 H PHE 45 H PHE 45 -11.301 -4.010 -2.024 398 HA PHE 45 HA PHE 45 -12.043 -4.143 0.696 399 HB2 PHE 45 2HB PHE 45 -10.685 -1.920 -0.883 400 HB3 PHE 45 3HB PHE 45 -10.822 -1.925 0.870 401 HD1 PHE 45 HD2 PHE 45 -10.306 -5.140 0.902 402 HD2 PHE 45 HD1 PHE 45 -8.221 -1.733 -0.669 403 HE1 PHE 45 HE2 PHE 45 -8.176 -6.364 1.032 404 HE2 PHE 45 HE1 PHE 45 -6.106 -2.979 -0.528 405 HZ PHE 45 HZ PHE 45 -6.079 -5.289 0.320 406 H ARG 46 H ARG 46 -13.678 -2.587 -1.937 407 HA ARG 46 HA ARG 46 -14.901 -0.422 -0.583 408 HB2 ARG 46 2HB ARG 46 -15.993 -1.952 -2.976 409 HB3 ARG 46 3HB ARG 46 -16.519 -0.362 -2.436 410 HG2 ARG 46 2HG ARG 46 -14.112 0.415 -2.863 411 HG3 ARG 46 3HG ARG 46 -13.873 -1.122 -3.694 412 HD2 ARG 46 2HD ARG 46 -14.396 0.497 -5.379 413 HD3 ARG 46 3HD ARG 46 -15.852 -0.487 -5.177 414 HE ARG 46 HE ARG 46 -15.840 1.854 -3.515 415 HH11 ARG 46 1HH1 ARG 46 -16.624 0.775 -6.778 416 HH12 ARG 46 2HH1 ARG 46 -17.732 2.075 -7.057 417 HH21 ARG 46 1HH2 ARG 46 -17.244 3.548 -3.900 418 HH22 ARG 46 2HH2 ARG 46 -18.084 3.658 -5.404 419 H LYS 47 H LYS 47 -15.721 -3.848 -0.734 420 HA LYS 47 HA LYS 47 -18.414 -3.746 0.123 421 HB2 LYS 47 2HB LYS 47 -18.238 -6.117 0.546 422 HB3 LYS 47 3HB LYS 47 -17.245 -5.773 -0.863 423 HG2 LYS 47 2HG LYS 47 -15.215 -5.805 0.627 424 HG3 LYS 47 3HG LYS 47 -16.260 -6.279 1.965 425 HD2 LYS 47 2HD LYS 47 -15.137 -8.243 1.014 426 HD3 LYS 47 3HD LYS 47 -16.879 -8.346 0.769 427 HE2 LYS 47 2HE LYS 47 -16.624 -7.674 -1.570 428 HE3 LYS 47 3HE LYS 47 -14.894 -7.422 -1.336 429 HZ1 LYS 47 3HZ LYS 47 -15.356 -9.530 -2.413 430 HZ2 LYS 47 1HZ LYS 47 -16.295 -10.031 -1.099 431 HZ3 LYS 47 2HZ LYS 47 -14.637 -9.777 -0.907 432 H GLU 48 H GLU 48 -15.421 -3.405 1.833 433 HA GLU 48 HA GLU 48 -16.814 -3.159 4.434 434 HB2 GLU 48 2HB GLU 48 -14.735 -3.999 5.508 435 HB3 GLU 48 3HB GLU 48 -15.431 -5.199 4.426 436 HG2 GLU 48 2HG GLU 48 -13.748 -4.706 2.725 437 HG3 GLU 48 3HG GLU 48 -13.086 -3.405 3.720 438 H SER 49 H SER 49 -16.469 -1.084 2.485 439 HA SER 49 HA SER 49 -14.223 0.559 3.021 440 HB2 SER 49 2HB SER 49 -15.676 0.720 0.965 441 HB3 SER 49 3HB SER 49 -16.900 1.506 1.947 442 HG SER 49 HG SER 49 -14.996 3.009 2.461 443 H GLN 50 H GLN 50 -16.816 -0.128 5.068 444 HA GLN 50 HA GLN 50 -17.032 2.299 6.535 445 HB2 GLN 50 2HB GLN 50 -18.003 0.860 8.339 446 HB3 GLN 50 3HB GLN 50 -18.757 0.617 6.772 447 HG2 GLN 50 2HG GLN 50 -17.676 -1.515 6.473 448 HG3 GLN 50 3HG GLN 50 -16.618 -1.242 7.853 449 HE21 GLN 50 1HE2 GLN 50 -17.487 -1.397 9.960 450 HE22 GLN 50 2HE2 GLN 50 -18.957 -2.252 10.266 451 H ASN 51 H ASN 51 -15.301 3.271 7.422 452 HA ASN 51 HA ASN 51 -13.382 3.733 8.536 453 HB2 ASN 51 2HB ASN 51 -14.557 1.519 10.233 454 HB3 ASN 51 3HB ASN 51 -13.025 2.252 10.689 455 HD21 ASN 51 1HD2 ASN 51 -15.585 2.293 12.070 456 HD22 ASN 51 2HD2 ASN 51 -15.979 3.958 12.298 457 H ILE 52 H ILE 52 -12.770 2.544 6.302 458 HA ILE 52 HA ILE 52 -10.612 0.629 6.923 459 HB ILE 52 HB ILE 52 -12.367 -0.137 5.256 460 HG12 ILE 52 2HG1 ILE 52 -9.537 0.056 4.121 461 HG13 ILE 52 3HG1 ILE 52 -10.047 -1.098 5.348 462 HG21 ILE 52 1HG2 ILE 52 -12.787 1.992 4.106 463 HG22 ILE 52 2HG2 ILE 52 -12.312 0.742 2.957 464 HG23 ILE 52 3HG2 ILE 52 -11.149 1.976 3.445 465 HD11 ILE 52 3HD1 ILE 52 -11.612 -2.100 3.758 466 HD12 ILE 52 1HD1 ILE 52 -9.951 -2.135 3.171 467 HD13 ILE 52 2HD1 ILE 52 -11.086 -0.957 2.518 468 H LYS 53 H LYS 53 -8.563 1.135 6.338 469 HA LYS 53 HA LYS 53 -7.964 3.656 4.949 470 HB2 LYS 53 2HB LYS 53 -6.617 2.628 7.494 471 HB3 LYS 53 3HB LYS 53 -6.082 4.015 6.553 472 HG2 LYS 53 2HG LYS 53 -8.122 5.238 7.129 473 HG3 LYS 53 3HG LYS 53 -8.754 3.830 7.983 474 HD2 LYS 53 2HD LYS 53 -7.809 5.554 9.522 475 HD3 LYS 53 3HD LYS 53 -7.002 3.992 9.663 476 HE2 LYS 53 2HE LYS 53 -5.124 4.815 8.331 477 HE3 LYS 53 3HE LYS 53 -5.951 6.351 8.078 478 HZ1 LYS 53 3HZ LYS 53 -5.808 6.818 10.405 479 HZ2 LYS 53 1HZ LYS 53 -4.267 6.447 9.826 480 HZ3 LYS 53 2HZ LYS 53 -5.130 5.304 10.726 481 H VAL 54 H VAL 54 -6.730 3.140 3.254 482 HA VAL 54 HA VAL 54 -5.045 0.692 3.318 483 HB VAL 54 HB VAL 54 -6.162 2.129 0.868 484 HG11 VAL 54 1HG1 VAL 54 -5.359 0.173 -0.416 485 HG12 VAL 54 2HG1 VAL 54 -4.640 -0.489 1.054 486 HG13 VAL 54 3HG1 VAL 54 -4.031 1.023 0.379 487 HG21 VAL 54 3HG2 VAL 54 -7.673 0.183 0.596 488 HG22 VAL 54 1HG2 VAL 54 -7.974 1.021 2.122 489 HG23 VAL 54 2HG2 VAL 54 -7.071 -0.495 2.111 490 H LEU 55 H LEU 55 -2.884 0.924 2.958 491 HA LEU 55 HA LEU 55 -1.783 3.613 2.353 492 HB2 LEU 55 2HB LEU 55 -1.315 2.760 4.665 493 HB3 LEU 55 3HB LEU 55 -0.529 1.354 3.966 494 HG LEU 55 HG LEU 55 1.158 2.911 2.884 495 HD11 LEU 55 1HD1 LEU 55 -0.150 4.961 2.857 496 HD12 LEU 55 2HD1 LEU 55 1.376 5.202 3.700 497 HD13 LEU 55 3HD1 LEU 55 -0.121 5.033 4.621 498 HD21 LEU 55 3HD2 LEU 55 1.035 3.002 5.906 499 HD22 LEU 55 1HD2 LEU 55 2.470 3.277 4.913 500 HD23 LEU 55 2HD2 LEU 55 1.698 1.693 4.926 501 H ILE 56 H ILE 56 -1.012 3.638 0.296 502 HA ILE 56 HA ILE 56 0.018 1.153 -0.908 503 HB ILE 56 HB ILE 56 -0.867 3.715 -2.317 504 HG12 ILE 56 2HG1 ILE 56 -2.273 1.006 -2.122 505 HG13 ILE 56 3HG1 ILE 56 -2.768 2.468 -1.281 506 HG21 ILE 56 1HG2 ILE 56 0.885 2.534 -3.584 507 HG22 ILE 56 2HG2 ILE 56 -0.667 2.385 -4.407 508 HG23 ILE 56 3HG2 ILE 56 -0.030 1.026 -3.480 509 HD11 ILE 56 3HD1 ILE 56 -2.772 2.082 -4.276 510 HD12 ILE 56 1HD1 ILE 56 -3.283 3.534 -3.410 511 HD13 ILE 56 2HD1 ILE 56 -4.171 2.026 -3.204 512 H LEU 57 H LEU 57 2.189 0.960 -0.792 513 HA LEU 57 HA LEU 57 3.928 3.358 -0.739 514 HB2 LEU 57 2HB LEU 57 4.617 0.442 -0.126 515 HB3 LEU 57 3HB LEU 57 5.756 1.772 -0.084 516 HG LEU 57 HG LEU 57 5.240 1.275 2.179 517 HD11 LEU 57 1HD1 LEU 57 3.603 3.707 1.459 518 HD12 LEU 57 2HD1 LEU 57 5.346 3.653 1.730 519 HD13 LEU 57 3HD1 LEU 57 4.243 3.305 3.056 520 HD21 LEU 57 3HD2 LEU 57 3.004 1.105 3.125 521 HD22 LEU 57 1HD2 LEU 57 3.227 -0.061 1.824 522 HD23 LEU 57 2HD2 LEU 57 2.285 1.403 1.539 523 H VAL 58 H VAL 58 4.589 3.940 -2.725 524 HA VAL 58 HA VAL 58 4.924 1.898 -4.841 525 HB VAL 58 HB VAL 58 4.652 3.727 -6.460 526 HG11 VAL 58 1HG1 VAL 58 2.436 3.734 -4.374 527 HG12 VAL 58 2HG1 VAL 58 2.631 2.569 -5.683 528 HG13 VAL 58 3HG1 VAL 58 2.273 4.254 -6.056 529 HG21 VAL 58 3HG2 VAL 58 5.646 5.577 -5.155 530 HG22 VAL 58 1HG2 VAL 58 4.248 5.581 -4.077 531 HG23 VAL 58 2HG2 VAL 58 4.060 6.014 -5.777 532 H SER 59 H SER 59 6.818 1.890 -6.071 533 HA SER 59 HA SER 59 9.208 3.010 -4.814 534 HB2 SER 59 2HB SER 59 9.175 0.654 -5.604 535 HB3 SER 59 3HB SER 59 8.916 1.208 -7.256 536 HG SER 59 HG SER 59 11.059 2.471 -6.294 537 H ASN 60 H ASN 60 7.009 3.937 -7.239 538 HA ASN 60 HA ASN 60 8.879 5.873 -8.430 539 HB2 ASN 60 2HB ASN 60 7.941 5.366 -10.699 540 HB3 ASN 60 3HB ASN 60 8.887 4.055 -10.015 541 HD21 ASN 60 1HD2 ASN 60 6.835 4.033 -12.121 542 HD22 ASN 60 2HD2 ASN 60 5.661 2.877 -11.603 543 H ASP 61 H ASP 61 8.019 7.755 -9.112 544 HA ASP 61 HA ASP 61 5.710 8.769 -7.855 545 HB2 ASP 61 2HB ASP 61 6.207 10.854 -9.137 546 HB3 ASP 61 3HB ASP 61 7.608 10.198 -8.299 547 H GLU 62 H GLU 62 6.158 7.369 -11.026 548 HA GLU 62 HA GLU 62 3.870 8.238 -12.379 549 HB2 GLU 62 2HB GLU 62 5.653 6.890 -13.454 550 HB3 GLU 62 3HB GLU 62 5.205 5.488 -12.486 551 HG2 GLU 62 2HG GLU 62 3.053 5.336 -13.613 552 HG3 GLU 62 3HG GLU 62 3.355 6.838 -14.480 553 H GLU 63 H GLU 63 4.321 5.387 -10.311 554 HA GLU 63 HA GLU 63 1.575 4.665 -10.251 555 HB2 GLU 63 2HB GLU 63 3.935 3.646 -8.645 556 HB3 GLU 63 3HB GLU 63 2.306 2.992 -8.499 557 HG2 GLU 63 2HG GLU 63 4.057 2.961 -10.965 558 HG3 GLU 63 3HG GLU 63 3.606 1.581 -9.971 559 H LEU 64 H LEU 64 3.592 6.697 -8.189 560 HA LEU 64 HA LEU 64 2.022 6.952 -5.913 561 HB2 LEU 64 2HB LEU 64 4.191 8.076 -6.180 562 HB3 LEU 64 3HB LEU 64 3.541 9.094 -7.451 563 HG LEU 64 HG LEU 64 2.010 10.157 -5.725 564 HD11 LEU 64 1HD1 LEU 64 2.549 9.889 -3.339 565 HD12 LEU 64 2HD1 LEU 64 3.686 8.599 -3.740 566 HD13 LEU 64 3HD1 LEU 64 1.963 8.392 -4.059 567 HD21 LEU 64 3HD2 LEU 64 3.744 11.582 -4.733 568 HD22 LEU 64 1HD2 LEU 64 4.065 11.274 -6.439 569 HD23 LEU 64 2HD2 LEU 64 4.987 10.418 -5.200 570 H ASP 65 H ASP 65 1.860 8.983 -8.838 571 HA ASP 65 HA ASP 65 -0.486 10.401 -8.238 572 HB2 ASP 65 2HB ASP 65 1.222 11.078 -9.941 573 HB3 ASP 65 3HB ASP 65 0.686 9.768 -10.986 574 H LYS 66 H LYS 66 0.096 7.445 -10.040 575 HA LYS 66 HA LYS 66 -2.428 7.107 -11.273 576 HB2 LYS 66 2HB LYS 66 -0.322 6.154 -12.084 577 HB3 LYS 66 3HB LYS 66 -0.216 5.125 -10.667 578 HG2 LYS 66 2HG LYS 66 -1.659 3.573 -11.506 579 HG3 LYS 66 3HG LYS 66 -2.710 4.784 -12.245 580 HD2 LYS 66 2HD LYS 66 -1.428 4.910 -14.205 581 HD3 LYS 66 3HD LYS 66 0.022 4.266 -13.428 582 HE2 LYS 66 2HE LYS 66 -2.476 2.635 -13.945 583 HE3 LYS 66 3HE LYS 66 -1.092 2.697 -15.030 584 HZ1 LYS 66 3HZ LYS 66 -1.117 1.695 -12.236 585 HZ2 LYS 66 1HZ LYS 66 0.293 1.918 -13.144 586 HZ3 LYS 66 2HZ LYS 66 -0.869 0.797 -13.649 587 H ALA 67 H ALA 67 -1.033 5.759 -8.278 588 HA ALA 67 HA ALA 67 -3.240 4.025 -7.707 589 HB1 ALA 67 3HB ALA 67 -0.972 3.495 -6.956 590 HB2 ALA 67 1HB ALA 67 -2.088 3.579 -5.595 591 HB3 ALA 67 2HB ALA 67 -0.968 4.913 -5.906 592 H LYS 68 H LYS 68 -2.269 7.304 -6.677 593 HA LYS 68 HA LYS 68 -4.285 7.723 -4.725 594 HB2 LYS 68 2HB LYS 68 -2.931 9.728 -6.582 595 HB3 LYS 68 3HB LYS 68 -4.033 10.192 -5.287 596 HG2 LYS 68 2HG LYS 68 -2.491 9.159 -3.637 597 HG3 LYS 68 3HG LYS 68 -1.370 8.783 -4.945 598 HD2 LYS 68 2HD LYS 68 -2.234 11.561 -4.043 599 HD3 LYS 68 3HD LYS 68 -0.656 10.817 -3.773 600 HE2 LYS 68 2HE LYS 68 -0.300 10.771 -6.250 601 HE3 LYS 68 3HE LYS 68 -1.843 11.604 -6.460 602 HZ1 LYS 68 3HZ LYS 68 0.562 12.648 -5.077 603 HZ2 LYS 68 1HZ LYS 68 -0.932 13.435 -5.109 604 HZ3 LYS 68 2HZ LYS 68 -0.076 13.189 -6.543 605 H GLU 69 H GLU 69 -4.247 8.178 -8.246 606 HA GLU 69 HA GLU 69 -6.801 9.362 -8.492 607 HB2 GLU 69 2HB GLU 69 -5.022 7.897 -10.459 608 HB3 GLU 69 3HB GLU 69 -6.630 8.441 -10.934 609 HG2 GLU 69 2HG GLU 69 -4.350 10.184 -9.961 610 HG3 GLU 69 3HG GLU 69 -4.965 10.077 -11.611 611 H LEU 70 H LEU 70 -5.771 5.949 -8.904 612 HA LEU 70 HA LEU 70 -8.290 4.884 -9.581 613 HB2 LEU 70 2HB LEU 70 -5.873 3.551 -8.286 614 HB3 LEU 70 3HB LEU 70 -7.278 2.664 -8.857 615 HG LEU 70 HG LEU 70 -5.420 4.314 -10.624 616 HD11 LEU 70 1HD1 LEU 70 -5.635 1.295 -10.377 617 HD12 LEU 70 2HD1 LEU 70 -4.307 2.294 -9.782 618 HD13 LEU 70 3HD1 LEU 70 -4.614 2.183 -11.512 619 HD21 LEU 70 3HD2 LEU 70 -7.739 2.513 -11.400 620 HD22 LEU 70 1HD2 LEU 70 -6.632 3.322 -12.515 621 HD23 LEU 70 2HD2 LEU 70 -7.708 4.276 -11.498 622 H ALA 71 H ALA 71 -6.660 5.279 -6.439 623 HA ALA 71 HA ALA 71 -8.473 4.043 -4.724 624 HB1 ALA 71 3HB ALA 71 -6.697 6.452 -4.240 625 HB2 ALA 71 1HB ALA 71 -6.233 4.758 -4.067 626 HB3 ALA 71 2HB ALA 71 -7.437 5.456 -2.985 627 H GLN 72 H GLN 72 -8.368 7.427 -5.839 628 HA GLN 72 HA GLN 72 -10.556 8.404 -4.337 629 HB2 GLN 72 2HB GLN 72 -9.265 9.431 -6.894 630 HB3 GLN 72 3HB GLN 72 -10.530 10.308 -6.039 631 HG2 GLN 72 2HG GLN 72 -9.089 10.522 -4.070 632 HG3 GLN 72 3HG GLN 72 -7.829 9.578 -4.861 633 HE21 GLN 72 1HE2 GLN 72 -6.682 10.521 -6.609 634 HE22 GLN 72 2HE2 GLN 72 -6.670 12.226 -6.885 635 H LYS 73 H LYS 73 -10.350 6.851 -7.531 636 HA LYS 73 HA LYS 73 -12.995 7.375 -8.419 637 HB2 LYS 73 2HB LYS 73 -11.477 4.827 -9.119 638 HB3 LYS 73 3HB LYS 73 -12.690 5.655 -10.083 639 HG2 LYS 73 2HG LYS 73 -9.831 6.479 -9.584 640 HG3 LYS 73 3HG LYS 73 -10.544 5.966 -11.107 641 HD2 LYS 73 2HD LYS 73 -11.848 8.054 -11.227 642 HD3 LYS 73 3HD LYS 73 -11.247 8.547 -9.640 643 HE2 LYS 73 2HE LYS 73 -8.934 8.612 -10.553 644 HE3 LYS 73 3HE LYS 73 -9.556 8.154 -12.140 645 HZ1 LYS 73 3HZ LYS 73 -10.769 10.201 -12.259 646 HZ2 LYS 73 1HZ LYS 73 -9.156 10.556 -11.884 647 HZ3 LYS 73 2HZ LYS 73 -10.342 10.615 -10.680 648 H MET 74 H MET 74 -11.600 4.936 -6.322 649 HA MET 74 HA MET 74 -13.962 3.275 -6.089 650 HB2 MET 74 2HB MET 74 -11.491 3.249 -4.304 651 HB3 MET 74 3HB MET 74 -12.671 1.960 -4.514 652 HG2 MET 74 2HG MET 74 -10.760 2.938 -6.619 653 HG3 MET 74 3HG MET 74 -10.547 1.506 -5.623 654 HE1 MET 74 3HE MET 74 -11.172 -0.104 -9.048 655 HE2 MET 74 1HE MET 74 -10.158 -0.043 -7.604 656 HE3 MET 74 2HE MET 74 -10.237 1.350 -8.691 657 H GLU 75 H GLU 75 -12.971 6.199 -4.748 658 HA GLU 75 HA GLU 75 -13.622 7.562 -3.065 659 HB2 GLU 75 2HB GLU 75 -15.988 5.663 -2.796 660 HB3 GLU 75 3HB GLU 75 -15.907 7.299 -2.144 661 HG2 GLU 75 2HG GLU 75 -15.818 8.233 -4.398 662 HG3 GLU 75 3HG GLU 75 -15.784 6.616 -5.099 663 H ILE 76 H ILE 76 -12.036 4.999 -2.457 664 HA ILE 76 HA ILE 76 -12.678 4.412 0.340 665 HB ILE 76 HB ILE 76 -10.318 3.409 -1.330 666 HG12 ILE 76 2HG1 ILE 76 -12.939 1.953 -0.755 667 HG13 ILE 76 3HG1 ILE 76 -12.548 2.725 -2.287 668 HG21 ILE 76 1HG2 ILE 76 -9.941 3.216 1.115 669 HG22 ILE 76 2HG2 ILE 76 -10.116 1.626 0.372 670 HG23 ILE 76 3HG2 ILE 76 -11.462 2.326 1.278 671 HD11 ILE 76 3HD1 ILE 76 -11.028 0.421 -1.062 672 HD12 ILE 76 1HD1 ILE 76 -10.695 1.187 -2.621 673 HD13 ILE 76 2HD1 ILE 76 -12.206 0.318 -2.369 674 H ASP 77 H ASP 77 -11.441 5.103 2.097 675 HA ASP 77 HA ASP 77 -9.739 7.389 1.850 676 HB2 ASP 77 2HB ASP 77 -11.118 7.113 3.843 677 HB3 ASP 77 3HB ASP 77 -10.356 5.568 4.208 678 H VAL 78 H VAL 78 -7.854 7.085 0.813 679 HA VAL 78 HA VAL 78 -6.005 4.925 1.649 680 HB VAL 78 HB VAL 78 -6.442 5.869 -1.222 681 HG11 VAL 78 1HG1 VAL 78 -4.113 5.220 -0.828 682 HG12 VAL 78 2HG1 VAL 78 -4.913 4.037 -1.864 683 HG13 VAL 78 3HG1 VAL 78 -4.635 3.671 -0.159 684 HG21 VAL 78 3HG2 VAL 78 -8.342 4.491 -0.553 685 HG22 VAL 78 1HG2 VAL 78 -7.263 3.234 0.050 686 HG23 VAL 78 2HG2 VAL 78 -7.328 3.584 -1.676 687 H ARG 79 H ARG 79 -3.868 5.504 1.756 688 HA ARG 79 HA ARG 79 -3.033 8.258 1.066 689 HB2 ARG 79 2HB ARG 79 -1.910 6.589 3.381 690 HB3 ARG 79 3HB ARG 79 -1.512 8.256 2.979 691 HG2 ARG 79 2HG ARG 79 -2.944 8.564 4.774 692 HG3 ARG 79 3HG ARG 79 -4.060 8.702 3.419 693 HD2 ARG 79 2HD ARG 79 -4.591 6.219 3.765 694 HD3 ARG 79 3HD ARG 79 -3.676 6.322 5.270 695 HE ARG 79 HE ARG 79 -6.348 7.125 4.842 696 HH11 ARG 79 1HH1 ARG 79 -3.485 8.223 6.617 697 HH12 ARG 79 2HH1 ARG 79 -4.428 9.048 7.813 698 HH21 ARG 79 1HH2 ARG 79 -7.523 8.136 6.431 699 HH22 ARG 79 2HH2 ARG 79 -6.718 8.997 7.711 700 H THR 80 H THR 80 -1.434 8.251 -0.414 701 HA THR 80 HA THR 80 0.030 5.722 -0.931 702 HB THR 80 HB THR 80 -0.570 7.933 -2.943 703 HG1 THR 80 HG1 THR 80 -1.781 5.361 -2.847 704 HG21 THR 80 3HG2 THR 80 0.125 6.260 -4.634 705 HG22 THR 80 1HG2 THR 80 0.523 5.124 -3.345 706 HG23 THR 80 2HG2 THR 80 1.445 6.621 -3.517 707 H ARG 81 H ARG 81 2.152 5.803 -0.562 708 HA ARG 81 HA ARG 81 3.571 8.391 -0.263 709 HB2 ARG 81 2HB ARG 81 4.232 5.715 1.055 710 HB3 ARG 81 3HB ARG 81 5.034 7.253 1.351 711 HG2 ARG 81 2HG ARG 81 2.149 6.631 2.049 712 HG3 ARG 81 3HG ARG 81 3.503 6.570 3.177 713 HD2 ARG 81 2HD ARG 81 3.899 9.024 2.678 714 HD3 ARG 81 3HD ARG 81 2.376 9.011 1.774 715 HE ARG 81 HE ARG 81 2.131 7.969 4.446 716 HH11 ARG 81 1HH1 ARG 81 2.101 10.956 2.580 717 HH12 ARG 81 2HH1 ARG 81 1.181 11.827 3.762 718 HH21 ARG 81 1HH2 ARG 81 0.963 9.115 5.992 719 HH22 ARG 81 2HH2 ARG 81 0.531 10.773 5.712 720 H LYS 82 H LYS 82 5.249 8.682 -1.711 721 HA LYS 82 HA LYS 82 6.253 6.421 -3.265 722 HB2 LYS 82 2HB LYS 82 5.905 8.667 -4.358 723 HB3 LYS 82 3HB LYS 82 7.181 9.327 -3.335 724 HG2 LYS 82 2HG LYS 82 8.745 7.576 -4.345 725 HG3 LYS 82 3HG LYS 82 7.453 7.198 -5.488 726 HD2 LYS 82 2HD LYS 82 9.004 8.724 -6.552 727 HD3 LYS 82 3HD LYS 82 7.489 9.578 -6.254 728 HE2 LYS 82 2HE LYS 82 8.480 10.648 -4.258 729 HE3 LYS 82 3HE LYS 82 9.986 9.769 -4.537 730 HZ1 LYS 82 3HZ LYS 82 10.267 10.918 -6.610 731 HZ2 LYS 82 1HZ LYS 82 10.076 12.043 -5.363 732 HZ3 LYS 82 2HZ LYS 82 8.798 11.729 -6.421 733 H VAL 83 H VAL 83 7.778 5.196 -2.428 734 HA VAL 83 HA VAL 83 9.682 6.249 -0.439 735 HB VAL 83 HB VAL 83 9.930 3.957 0.400 736 HG11 VAL 83 1HG1 VAL 83 8.179 5.335 1.408 737 HG12 VAL 83 2HG1 VAL 83 7.663 3.651 1.371 738 HG13 VAL 83 3HG1 VAL 83 7.009 4.795 0.198 739 HG21 VAL 83 3HG2 VAL 83 8.508 2.084 -0.394 740 HG22 VAL 83 1HG2 VAL 83 9.572 2.670 -1.675 741 HG23 VAL 83 2HG2 VAL 83 7.864 3.112 -1.678 742 H THR 84 H THR 84 11.791 6.189 -0.860 743 HA THR 84 HA THR 84 12.795 5.196 -3.432 744 HB THR 84 HB THR 84 14.892 6.443 -2.753 745 HG1 THR 84 HG1 THR 84 14.645 7.824 -0.872 746 HG21 THR 84 3HG2 THR 84 13.968 8.725 -2.977 747 HG22 THR 84 1HG2 THR 84 12.348 8.120 -2.607 748 HG23 THR 84 2HG2 THR 84 13.162 7.623 -4.093 749 H SER 85 H SER 85 12.826 4.473 -0.037 750 HA SER 85 HA SER 85 14.834 2.321 -0.357 751 HB2 SER 85 2HB SER 85 14.601 4.194 2.047 752 HB3 SER 85 3HB SER 85 15.829 2.955 1.791 753 HG SER 85 HG SER 85 15.462 5.377 0.352 754 HA PRO 86 HA PRO 86 11.847 -0.401 1.679 755 HB2 PRO 86 2HB PRO 86 13.693 -1.757 3.400 756 HB3 PRO 86 3HB PRO 86 13.189 -2.253 1.775 757 HG2 PRO 86 2HG PRO 86 15.640 -0.791 2.614 758 HG3 PRO 86 3HG PRO 86 15.414 -1.960 1.296 759 HD2 PRO 86 2HD PRO 86 15.647 0.678 0.793 760 HD3 PRO 86 3HD PRO 86 14.567 -0.350 -0.175 761 H ASP 87 H ASP 87 14.237 1.249 3.781 762 HA ASP 87 HA ASP 87 12.773 0.856 6.202 763 HB2 ASP 87 2HB ASP 87 15.026 2.782 5.526 764 HB3 ASP 87 3HB ASP 87 14.313 2.689 7.133 765 H GLU 88 H GLU 88 12.597 3.300 3.710 766 HA GLU 88 HA GLU 88 11.014 5.220 5.071 767 HB2 GLU 88 2HB GLU 88 11.020 4.523 2.101 768 HB3 GLU 88 3HB GLU 88 10.371 6.001 2.806 769 HG2 GLU 88 2HG GLU 88 13.287 5.170 2.888 770 HG3 GLU 88 3HG GLU 88 12.594 6.289 1.718 771 H ALA 89 H ALA 89 10.230 2.393 3.055 772 HA ALA 89 HA ALA 89 7.410 2.628 3.100 773 HB1 ALA 89 3HB ALA 89 7.394 0.332 2.221 774 HB2 ALA 89 1HB ALA 89 9.108 0.153 2.623 775 HB3 ALA 89 2HB ALA 89 8.602 1.316 1.395 776 H LYS 90 H LYS 90 9.701 0.796 5.108 777 HA LYS 90 HA LYS 90 7.866 -0.693 6.650 778 HB2 LYS 90 2HB LYS 90 10.709 0.215 7.266 779 HB3 LYS 90 3HB LYS 90 9.837 -1.028 8.161 780 HG2 LYS 90 2HG LYS 90 9.946 -2.573 6.367 781 HG3 LYS 90 3HG LYS 90 10.323 -1.309 5.190 782 HD2 LYS 90 2HD LYS 90 12.335 -2.609 5.631 783 HD3 LYS 90 3HD LYS 90 12.539 -0.980 6.260 784 HE2 LYS 90 2HE LYS 90 12.068 -1.807 8.544 785 HE3 LYS 90 3HE LYS 90 11.868 -3.443 7.902 786 HZ1 LYS 90 3HZ LYS 90 14.078 -3.090 8.821 787 HZ2 LYS 90 1HZ LYS 90 14.362 -1.837 7.725 788 HZ3 LYS 90 2HZ LYS 90 14.151 -3.414 7.165 789 H ARG 91 H ARG 91 9.439 2.474 7.079 790 HA ARG 91 HA ARG 91 8.561 2.995 9.697 791 HB2 ARG 91 2HB ARG 91 10.364 4.329 8.663 792 HB3 ARG 91 3HB ARG 91 9.218 5.013 7.509 793 HG2 ARG 91 2HG ARG 91 7.968 6.079 9.355 794 HG3 ARG 91 3HG ARG 91 9.071 5.363 10.528 795 HD2 ARG 91 2HD ARG 91 10.932 6.688 9.507 796 HD3 ARG 91 3HD ARG 91 9.747 7.450 8.441 797 HE ARG 91 HE ARG 91 9.008 8.738 10.181 798 HH11 ARG 91 1HH1 ARG 91 11.056 6.205 11.521 799 HH12 ARG 91 2HH1 ARG 91 11.078 6.892 13.110 800 HH21 ARG 91 1HH2 ARG 91 9.025 9.611 12.279 801 HH22 ARG 91 2HH2 ARG 91 9.925 8.825 13.539 802 H TRP 92 H TRP 92 7.186 4.128 6.530 803 HA TRP 92 HA TRP 92 4.977 5.427 7.517 804 HB2 TRP 92 2HB TRP 92 5.313 3.914 4.904 805 HB3 TRP 92 3HB TRP 92 3.897 4.897 5.259 806 HD1 TRP 92 HD1 TRP 92 6.912 5.186 3.356 807 HE1 TRP 92 HE1 TRP 92 7.645 7.625 3.035 808 HE3 TRP 92 HE3 TRP 92 4.055 7.397 6.993 809 HZ2 TRP 92 HZ2 TRP 92 7.103 10.143 4.155 810 HZ3 TRP 92 HZ3 TRP 92 4.219 9.834 7.296 811 HH2 TRP 92 HH2 TRP 92 5.715 11.182 5.903 812 H ILE 93 H ILE 93 5.424 1.951 7.099 813 HA ILE 93 HA ILE 93 2.680 1.179 7.440 814 HB ILE 93 HB ILE 93 5.316 -0.339 7.619 815 HG12 ILE 93 2HG1 ILE 93 3.079 -0.443 5.542 816 HG13 ILE 93 3HG1 ILE 93 4.594 0.429 5.358 817 HG21 ILE 93 1HG2 ILE 93 4.064 -2.461 7.717 818 HG22 ILE 93 2HG2 ILE 93 2.551 -1.567 7.868 819 HG23 ILE 93 3HG2 ILE 93 3.762 -1.472 9.147 820 HD11 ILE 93 3HD1 ILE 93 4.643 -1.634 4.118 821 HD12 ILE 93 1HD1 ILE 93 4.288 -2.565 5.576 822 HD13 ILE 93 2HD1 ILE 93 5.818 -1.693 5.432 823 H LYS 94 H LYS 94 5.556 1.223 9.589 824 HA LYS 94 HA LYS 94 4.442 0.477 12.008 825 HB2 LYS 94 2HB LYS 94 6.776 0.608 11.982 826 HB3 LYS 94 3HB LYS 94 6.795 2.171 11.183 827 HG2 LYS 94 2HG LYS 94 6.282 3.324 13.227 828 HG3 LYS 94 3HG LYS 94 5.941 1.816 14.071 829 HD2 LYS 94 2HD LYS 94 8.680 2.541 12.960 830 HD3 LYS 94 3HD LYS 94 8.171 2.877 14.616 831 HE2 LYS 94 2HE LYS 94 8.317 0.113 13.363 832 HE3 LYS 94 3HE LYS 94 9.508 0.806 14.465 833 HZ1 LYS 94 3HZ LYS 94 7.849 0.907 16.190 834 HZ2 LYS 94 1HZ LYS 94 7.931 -0.674 15.589 835 HZ3 LYS 94 2HZ LYS 94 6.651 0.338 15.142 836 H GLU 95 H GLU 95 4.658 3.750 10.631 837 HA GLU 95 HA GLU 95 3.433 5.198 12.702 838 HB2 GLU 95 2HB GLU 95 3.499 5.739 9.701 839 HB3 GLU 95 3HB GLU 95 2.999 6.917 10.911 840 HG2 GLU 95 2HG GLU 95 5.757 5.672 10.722 841 HG3 GLU 95 3HG GLU 95 5.317 7.262 10.105 842 H PHE 96 H PHE 96 2.137 3.800 9.731 843 HA PHE 96 HA PHE 96 -0.487 4.739 9.833 844 HB2 PHE 96 2HB PHE 96 0.675 3.882 7.827 845 HB3 PHE 96 3HB PHE 96 0.679 2.259 8.499 846 HD1 PHE 96 HD1 PHE 96 -1.630 4.995 7.373 847 HD2 PHE 96 HD2 PHE 96 -1.086 0.783 7.973 848 HE1 PHE 96 HE1 PHE 96 -3.757 4.536 6.228 849 HE2 PHE 96 HE2 PHE 96 -3.214 0.350 6.832 850 HZ PHE 96 HZ PHE 96 -4.531 2.222 5.966 851 H SER 97 H SER 97 0.957 1.847 11.236 852 HA SER 97 HA SER 97 -1.564 0.622 11.967 853 HB2 SER 97 2HB SER 97 -0.059 -1.055 13.120 854 HB3 SER 97 3HB SER 97 0.246 -0.853 11.397 855 HG SER 97 HG SER 97 2.129 0.021 11.804 856 H GLU 98 H GLU 98 1.082 2.314 13.710 857 HA GLU 98 HA GLU 98 -0.012 1.868 16.321 858 HB2 GLU 98 2HB GLU 98 2.191 3.723 15.349 859 HB3 GLU 98 3HB GLU 98 1.725 3.599 17.045 860 HG2 GLU 98 2HG GLU 98 2.286 1.190 17.023 861 HG3 GLU 98 3HG GLU 98 2.757 1.321 15.330 862 H GLU 99 H GLU 99 -0.154 4.611 14.055 863 HA GLU 99 HA GLU 99 -1.911 6.247 15.626 864 HB2 GLU 99 2HB GLU 99 -1.588 6.100 12.587 865 HB3 GLU 99 3HB GLU 99 -2.427 7.380 13.460 866 HG2 GLU 99 2HG GLU 99 -0.329 8.099 14.499 867 HG3 GLU 99 3HG GLU 99 0.530 6.757 13.741 868 H GLY 100 H GLY 100 -2.509 4.285 12.713 869 HA2 GLY 100 2HA GLY 100 -4.115 2.843 12.046 870 HA3 GLY 100 3HA GLY 100 -4.294 2.438 13.738 871 H GLY 101 H GLY 101 -5.848 3.540 14.963 872 HA2 GLY 101 2HA GLY 101 -7.734 5.372 14.502 873 HA3 GLY 101 3HA GLY 101 -8.306 4.048 13.478 874 H SER 102 H SER 102 -7.325 4.876 16.744 875 HA SER 102 HA SER 102 -7.667 2.494 18.076 876 HB2 SER 102 2HB SER 102 -7.995 3.985 20.118 877 HB3 SER 102 3HB SER 102 -6.571 4.342 19.144 878 HG SER 102 HG SER 102 -7.337 6.252 18.790 879 H LEU 103 H LEU 103 -10.046 5.160 18.082 880 HA LEU 103 HA LEU 103 -12.284 5.324 17.984 881 HB2 LEU 103 2HB LEU 103 -12.365 2.312 17.533 882 HB3 LEU 103 3HB LEU 103 -13.720 3.414 17.343 883 HG LEU 103 HG LEU 103 -11.192 3.449 15.642 884 HD11 LEU 103 1HD1 LEU 103 -12.537 1.462 15.184 885 HD12 LEU 103 2HD1 LEU 103 -12.565 2.577 13.822 886 HD13 LEU 103 3HD1 LEU 103 -13.962 2.466 14.899 887 HD21 LEU 103 3HD2 LEU 103 -12.373 5.044 14.204 888 HD22 LEU 103 1HD2 LEU 103 -12.158 5.688 15.830 889 HD23 LEU 103 2HD2 LEU 103 -13.736 5.076 15.327 890 H GLU 104 H GLU 104 -11.466 2.327 19.713 891 HA GLU 104 HA GLU 104 -13.155 2.753 21.959 892 HB2 GLU 104 2HB GLU 104 -11.735 0.971 23.051 893 HB3 GLU 104 3HB GLU 104 -12.398 0.492 21.493 894 HG2 GLU 104 2HG GLU 104 -10.285 0.676 20.402 895 HG3 GLU 104 3HG GLU 104 -9.581 1.585 21.733 896 H HIS 105 H HIS 105 -12.868 4.095 23.643 897 HA HIS 105 HA HIS 105 -12.118 5.903 24.812 898 HB2 HIS 105 2HB HIS 105 -10.334 5.326 26.425 899 HB3 HIS 105 3HB HIS 105 -11.453 3.990 26.209 900 HD1 HIS 105 HD1 HIS 105 -7.892 4.968 25.702 901 HD2 HIS 105 HD2 HIS 105 -10.282 1.627 25.123 902 HE1 HIS 105 HE1 HIS 105 -6.318 3.084 25.185 903 HE2 HIS 105 HE2 HIS 105 -7.800 1.103 24.741 904 H HIS 106 H HIS 106 -11.585 6.427 22.220 905 HA HIS 106 HA HIS 106 -8.980 6.512 21.294 906 HB2 HIS 106 2HB HIS 106 -9.792 7.994 19.478 907 HB3 HIS 106 3HB HIS 106 -10.887 6.653 19.766 908 HD1 HIS 106 HD1 HIS 106 -10.726 10.331 19.660 909 HD2 HIS 106 HD2 HIS 106 -13.366 7.433 21.046 910 HE1 HIS 106 HE1 HIS 106 -12.909 11.521 20.026 911 HE2 HIS 106 HE2 HIS 106 -14.492 9.743 20.835 912 H HIS 107 H HIS 107 -7.279 7.634 21.900 913 HA HIS 107 HA HIS 107 -7.344 10.482 22.479 914 HB2 HIS 107 2HB HIS 107 -6.435 10.366 24.728 915 HB3 HIS 107 3HB HIS 107 -7.866 9.338 24.715 916 HD1 HIS 107 HD1 HIS 107 -7.276 6.670 24.358 917 HD2 HIS 107 HD2 HIS 107 -4.181 9.108 25.657 918 HE1 HIS 107 HE1 HIS 107 -5.538 5.119 25.300 919 HE2 HIS 107 HE2 HIS 107 -3.753 6.627 26.196 920 H HIS 108 H HIS 108 -5.310 11.428 22.281 921 HA HIS 108 HA HIS 108 -2.876 9.851 22.065 922 HB2 HIS 108 2HB HIS 108 -2.270 10.756 19.806 923 HB3 HIS 108 3HB HIS 108 -3.670 9.691 19.750 924 HD1 HIS 108 HD1 HIS 108 -2.689 13.300 19.352 925 HD2 HIS 108 HD2 HIS 108 -6.052 10.905 18.886 926 HE1 HIS 108 HE1 HIS 108 -4.379 14.727 18.163 927 HE2 HIS 108 HE2 HIS 108 -6.445 13.312 18.047 928 H HIS 109 H HIS 109 -0.952 11.408 21.692 929 HA HIS 109 HA HIS 109 -1.117 13.524 23.604 930 HB2 HIS 109 2HB HIS 109 1.233 13.944 23.153 931 HB3 HIS 109 3HB HIS 109 0.985 12.204 23.132 932 HD1 HIS 109 HD1 HIS 109 1.802 15.107 20.866 933 HD2 HIS 109 HD2 HIS 109 1.498 10.960 20.668 934 HE1 HIS 109 HE1 HIS 109 2.838 14.453 18.675 935 HE2 HIS 109 HE2 HIS 109 2.424 11.979 18.488 936 H HIS 110 H HIS 110 -1.122 15.775 23.301 937 HA HIS 110 HA HIS 110 -1.981 16.774 20.693 938 HB2 HIS 110 2HB HIS 110 -2.085 19.033 21.927 939 HB3 HIS 110 3HB HIS 110 -3.208 17.785 22.431 940 HD1 HIS 110 HD1 HIS 110 0.094 19.284 23.588 941 HD2 HIS 110 HD2 HIS 110 -3.258 17.378 25.124 942 HE1 HIS 110 HE1 HIS 110 0.341 19.380 26.085 943 HE2 HIS 110 HE2 HIS 110 -1.657 18.151 26.982 Start of MODEL 10 1 H1 MET 1 1H MET 1 -10.726 -3.753 13.030 2 H2 MET 1 2H MET 1 -10.445 -2.626 14.260 3 H3 MET 1 3H MET 1 -9.168 -3.546 13.645 4 HA MET 1 HA MET 1 -10.753 -1.610 12.075 5 HB2 MET 1 2HB MET 1 -9.416 -0.480 13.854 6 HB3 MET 1 3HB MET 1 -7.960 -1.267 13.258 7 HG2 MET 1 2HG MET 1 -7.989 0.999 12.457 8 HG3 MET 1 3HG MET 1 -8.272 -0.069 11.082 9 HE1 MET 1 3HE MET 1 -9.204 1.808 9.544 10 HE2 MET 1 1HE MET 1 -8.906 3.029 10.784 11 HE3 MET 1 2HE MET 1 -10.482 2.937 9.994 12 H LEU 2 H LEU 2 -10.706 -2.239 10.035 13 HA LEU 2 HA LEU 2 -8.883 -4.141 8.921 14 HB2 LEU 2 2HB LEU 2 -10.772 -2.240 7.471 15 HB3 LEU 2 3HB LEU 2 -10.074 -3.706 6.815 16 HG LEU 2 HG LEU 2 -12.083 -3.644 9.101 17 HD11 LEU 2 1HD1 LEU 2 -13.749 -4.419 7.466 18 HD12 LEU 2 2HD1 LEU 2 -12.565 -4.264 6.166 19 HD13 LEU 2 3HD1 LEU 2 -13.118 -2.830 7.035 20 HD21 LEU 2 3HD2 LEU 2 -11.013 -5.988 7.483 21 HD22 LEU 2 1HD2 LEU 2 -12.311 -6.073 8.679 22 HD23 LEU 2 2HD2 LEU 2 -10.680 -5.646 9.183 23 H LEU 3 H LEU 3 -6.753 -3.458 8.870 24 HA LEU 3 HA LEU 3 -6.112 -0.934 7.422 25 HB2 LEU 3 2HB LEU 3 -4.520 -2.400 9.560 26 HB3 LEU 3 3HB LEU 3 -3.952 -0.984 8.693 27 HG LEU 3 HG LEU 3 -6.385 -1.023 10.520 28 HD11 LEU 3 1HD1 LEU 3 -4.300 -1.380 11.779 29 HD12 LEU 3 2HD1 LEU 3 -5.037 0.172 12.151 30 HD13 LEU 3 3HD1 LEU 3 -3.626 0.102 11.092 31 HD21 LEU 3 3HD2 LEU 3 -6.301 1.441 10.355 32 HD22 LEU 3 1HD2 LEU 3 -6.585 0.691 8.784 33 HD23 LEU 3 2HD2 LEU 3 -4.986 1.321 9.182 34 H TYR 4 H TYR 4 -5.478 -1.331 5.411 35 HA TYR 4 HA TYR 4 -4.004 -3.826 4.773 36 HB2 TYR 4 2HB TYR 4 -5.897 -2.209 3.007 37 HB3 TYR 4 3HB TYR 4 -5.021 -3.659 2.514 38 HD1 TYR 4 HD1 TYR 4 -5.540 -5.867 3.678 39 HD2 TYR 4 HD2 TYR 4 -7.999 -2.410 4.179 40 HE1 TYR 4 HE1 TYR 4 -7.349 -7.276 4.553 41 HE2 TYR 4 HE2 TYR 4 -9.806 -3.831 5.041 42 HH TYR 4 HH TYR 4 -10.537 -6.105 5.030 43 H VAL 5 H VAL 5 -2.386 -3.715 3.249 44 HA VAL 5 HA VAL 5 -1.179 -1.079 2.650 45 HB VAL 5 HB VAL 5 0.228 -3.622 3.674 46 HG11 VAL 5 1HG1 VAL 5 1.502 -0.996 2.816 47 HG12 VAL 5 2HG1 VAL 5 1.635 -2.544 1.979 48 HG13 VAL 5 3HG1 VAL 5 2.338 -2.348 3.583 49 HG21 VAL 5 3HG2 VAL 5 -0.038 -0.875 4.976 50 HG22 VAL 5 1HG2 VAL 5 0.890 -2.234 5.620 51 HG23 VAL 5 2HG2 VAL 5 -0.863 -2.352 5.479 52 H LEU 6 H LEU 6 -0.998 -0.878 0.475 53 HA LEU 6 HA LEU 6 -0.794 -3.266 -1.262 54 HB2 LEU 6 2HB LEU 6 -1.650 -0.420 -1.958 55 HB3 LEU 6 3HB LEU 6 -1.589 -1.768 -3.077 56 HG LEU 6 HG LEU 6 -3.505 -1.406 -0.755 57 HD11 LEU 6 1HD1 LEU 6 -4.050 -1.625 -3.738 58 HD12 LEU 6 2HD1 LEU 6 -4.129 -0.148 -2.777 59 HD13 LEU 6 3HD1 LEU 6 -5.267 -1.457 -2.468 60 HD21 LEU 6 3HD2 LEU 6 -2.851 -3.729 -0.779 61 HD22 LEU 6 1HD2 LEU 6 -3.158 -3.841 -2.515 62 HD23 LEU 6 2HD2 LEU 6 -4.494 -3.576 -1.392 63 H ILE 7 H ILE 7 1.289 -3.663 -1.822 64 HA ILE 7 HA ILE 7 3.183 -1.385 -1.945 65 HB ILE 7 HB ILE 7 3.737 -2.990 -0.187 66 HG12 ILE 7 2HG1 ILE 7 5.713 -3.192 -2.510 67 HG13 ILE 7 3HG1 ILE 7 5.575 -1.818 -1.418 68 HG21 ILE 7 1HG2 ILE 7 2.710 -5.036 -1.079 69 HG22 ILE 7 2HG2 ILE 7 4.390 -5.322 -0.623 70 HG23 ILE 7 3HG2 ILE 7 3.958 -5.133 -2.324 71 HD11 ILE 7 3HD1 ILE 7 6.251 -3.231 0.447 72 HD12 ILE 7 1HD1 ILE 7 7.448 -3.222 -0.844 73 HD13 ILE 7 2HD1 ILE 7 6.384 -4.611 -0.647 74 H ILE 8 H ILE 8 4.031 -0.870 -3.837 75 HA ILE 8 HA ILE 8 4.010 -2.729 -6.141 76 HB ILE 8 HB ILE 8 4.048 0.341 -6.290 77 HG12 ILE 8 2HG1 ILE 8 1.581 -1.440 -6.522 78 HG13 ILE 8 3HG1 ILE 8 1.939 -0.388 -5.162 79 HG21 ILE 8 1HG2 ILE 8 4.873 -0.835 -8.303 80 HG22 ILE 8 2HG2 ILE 8 3.359 -0.001 -8.645 81 HG23 ILE 8 3HG2 ILE 8 3.365 -1.749 -8.404 82 HD11 ILE 8 3HD1 ILE 8 0.286 0.612 -6.573 83 HD12 ILE 8 1HD1 ILE 8 1.334 0.467 -7.982 84 HD13 ILE 8 2HD1 ILE 8 1.773 1.552 -6.663 85 H SER 9 H SER 9 6.097 -3.544 -6.019 86 HA SER 9 HA SER 9 8.337 -1.707 -6.372 87 HB2 SER 9 2HB SER 9 8.145 -1.861 -3.900 88 HB3 SER 9 3HB SER 9 8.256 -3.618 -3.993 89 HG SER 9 HG SER 9 10.274 -2.716 -3.515 90 H ASN 10 H ASN 10 9.899 -2.549 -7.583 91 HA ASN 10 HA ASN 10 9.787 -5.241 -8.645 92 HB2 ASN 10 2HB ASN 10 11.843 -3.012 -9.048 93 HB3 ASN 10 3HB ASN 10 11.794 -4.522 -9.960 94 HD21 ASN 10 1HD2 ASN 10 10.136 -4.824 -11.509 95 HD22 ASN 10 2HD2 ASN 10 9.187 -3.505 -12.096 96 H ASP 11 H ASP 11 11.306 -3.671 -5.986 97 HA ASP 11 HA ASP 11 13.545 -5.526 -5.731 98 HB2 ASP 11 2HB ASP 11 12.564 -3.380 -3.804 99 HB3 ASP 11 3HB ASP 11 14.069 -4.286 -3.658 100 H LYS 12 H LYS 12 12.986 -7.502 -5.165 101 HA LYS 12 HA LYS 12 10.818 -8.359 -3.572 102 HB2 LYS 12 2HB LYS 12 13.422 -9.716 -4.380 103 HB3 LYS 12 3HB LYS 12 12.248 -10.530 -3.352 104 HG2 LYS 12 2HG LYS 12 11.965 -11.266 -5.647 105 HG3 LYS 12 3HG LYS 12 10.545 -10.346 -5.152 106 HD2 LYS 12 2HD LYS 12 11.381 -8.379 -6.389 107 HD3 LYS 12 3HD LYS 12 12.829 -9.273 -6.857 108 HE2 LYS 12 2HE LYS 12 9.989 -10.016 -7.640 109 HE3 LYS 12 3HE LYS 12 11.139 -9.169 -8.674 110 HZ1 LYS 12 3HZ LYS 12 11.465 -11.922 -7.597 111 HZ2 LYS 12 1HZ LYS 12 12.592 -11.102 -8.564 112 HZ3 LYS 12 2HZ LYS 12 11.078 -11.507 -9.193 113 H LYS 13 H LYS 13 14.052 -7.262 -2.742 114 HA LYS 13 HA LYS 13 14.122 -8.154 -0.037 115 HB2 LYS 13 2HB LYS 13 15.533 -5.733 -1.235 116 HB3 LYS 13 3HB LYS 13 15.945 -6.524 0.276 117 HG2 LYS 13 2HG LYS 13 16.236 -7.735 -2.486 118 HG3 LYS 13 3HG LYS 13 17.530 -7.024 -1.537 119 HD2 LYS 13 2HD LYS 13 17.895 -9.274 -1.105 120 HD3 LYS 13 3HD LYS 13 16.834 -8.880 0.245 121 HE2 LYS 13 2HE LYS 13 14.924 -9.829 -0.957 122 HE3 LYS 13 3HE LYS 13 15.931 -10.136 -2.368 123 HZ1 LYS 13 3HZ LYS 13 17.174 -11.751 -1.156 124 HZ2 LYS 13 1HZ LYS 13 15.532 -12.109 -0.953 125 HZ3 LYS 13 2HZ LYS 13 16.397 -11.365 0.293 126 H LEU 14 H LEU 14 13.052 -5.142 -1.617 127 HA LEU 14 HA LEU 14 12.361 -3.669 0.698 128 HB2 LEU 14 2HB LEU 14 12.726 -2.821 -1.675 129 HB3 LEU 14 3HB LEU 14 11.131 -3.407 -2.087 130 HG LEU 14 HG LEU 14 11.528 -1.314 0.089 131 HD11 LEU 14 1HD1 LEU 14 11.135 0.456 -1.575 132 HD12 LEU 14 2HD1 LEU 14 11.180 -0.742 -2.871 133 HD13 LEU 14 3HD1 LEU 14 12.623 -0.427 -1.906 134 HD21 LEU 14 3HD2 LEU 14 9.224 -0.644 -0.455 135 HD22 LEU 14 1HD2 LEU 14 9.305 -2.336 0.035 136 HD23 LEU 14 2HD2 LEU 14 9.132 -1.920 -1.670 137 H ILE 15 H ILE 15 10.496 -5.908 -1.357 138 HA ILE 15 HA ILE 15 7.964 -5.540 -0.107 139 HB ILE 15 HB ILE 15 8.939 -7.965 -1.686 140 HG12 ILE 15 2HG1 ILE 15 7.380 -5.525 -2.690 141 HG13 ILE 15 3HG1 ILE 15 9.094 -5.795 -2.965 142 HG21 ILE 15 1HG2 ILE 15 6.536 -8.417 -2.101 143 HG22 ILE 15 2HG2 ILE 15 6.099 -7.058 -1.064 144 HG23 ILE 15 3HG2 ILE 15 6.908 -8.466 -0.375 145 HD11 ILE 15 3HD1 ILE 15 7.797 -6.365 -4.921 146 HD12 ILE 15 1HD1 ILE 15 6.851 -7.524 -3.988 147 HD13 ILE 15 2HD1 ILE 15 8.573 -7.803 -4.259 148 H GLU 16 H GLU 16 10.599 -7.837 0.407 149 HA GLU 16 HA GLU 16 9.421 -9.438 2.424 150 HB2 GLU 16 2HB GLU 16 12.315 -8.854 1.706 151 HB3 GLU 16 3HB GLU 16 11.910 -9.884 3.076 152 HG2 GLU 16 2HG GLU 16 10.778 -11.470 1.636 153 HG3 GLU 16 3HG GLU 16 10.967 -10.405 0.245 154 H GLU 17 H GLU 17 11.547 -6.583 2.683 155 HA GLU 17 HA GLU 17 11.692 -6.385 5.477 156 HB2 GLU 17 2HB GLU 17 11.950 -4.311 3.274 157 HB3 GLU 17 3HB GLU 17 12.190 -3.902 4.963 158 HG2 GLU 17 2HG GLU 17 13.806 -5.874 3.348 159 HG3 GLU 17 3HG GLU 17 14.321 -4.276 3.877 160 H ALA 18 H ALA 18 9.418 -4.995 3.180 161 HA ALA 18 HA ALA 18 7.877 -3.453 4.975 162 HB1 ALA 18 3HB ALA 18 7.852 -3.110 2.559 163 HB2 ALA 18 1HB ALA 18 6.219 -3.425 3.144 164 HB3 ALA 18 2HB ALA 18 7.121 -4.697 2.311 165 H ARG 19 H ARG 19 7.529 -6.775 3.742 166 HA ARG 19 HA ARG 19 5.052 -7.407 4.943 167 HB2 ARG 19 2HB ARG 19 6.019 -8.683 3.044 168 HB3 ARG 19 3HB ARG 19 7.287 -9.307 4.096 169 HG2 ARG 19 2HG ARG 19 5.588 -10.478 5.456 170 HG3 ARG 19 3HG ARG 19 4.309 -9.850 4.414 171 HD2 ARG 19 2HD ARG 19 6.553 -11.698 3.523 172 HD3 ARG 19 3HD ARG 19 4.902 -12.202 3.880 173 HE ARG 19 HE ARG 19 5.876 -10.890 1.497 174 HH11 ARG 19 1HH1 ARG 19 2.964 -11.594 3.364 175 HH12 ARG 19 2HH1 ARG 19 1.916 -11.384 2.000 176 HH21 ARG 19 1HH2 ARG 19 4.475 -10.626 -0.249 177 HH22 ARG 19 2HH2 ARG 19 2.764 -10.838 -0.037 178 H LYS 20 H LYS 20 8.373 -7.715 6.108 179 HA LYS 20 HA LYS 20 7.964 -9.270 8.416 180 HB2 LYS 20 2HB LYS 20 10.035 -7.093 7.884 181 HB3 LYS 20 3HB LYS 20 10.085 -8.175 9.274 182 HG2 LYS 20 2HG LYS 20 10.352 -10.109 7.797 183 HG3 LYS 20 3HG LYS 20 10.226 -9.071 6.379 184 HD2 LYS 20 2HD LYS 20 12.306 -7.894 7.071 185 HD3 LYS 20 3HD LYS 20 12.432 -8.962 8.474 186 HE2 LYS 20 2HE LYS 20 12.639 -10.914 6.946 187 HE3 LYS 20 3HE LYS 20 12.553 -9.823 5.560 188 HZ1 LYS 20 3HZ LYS 20 14.825 -10.369 6.035 189 HZ2 LYS 20 1HZ LYS 20 14.674 -9.868 7.641 190 HZ3 LYS 20 2HZ LYS 20 14.583 -8.733 6.389 191 H MET 21 H MET 21 8.004 -5.746 7.974 192 HA MET 21 HA MET 21 7.314 -5.093 10.668 193 HB2 MET 21 2HB MET 21 7.445 -3.503 8.086 194 HB3 MET 21 3HB MET 21 6.811 -2.771 9.558 195 HG2 MET 21 2HG MET 21 9.580 -3.927 9.187 196 HG3 MET 21 3HG MET 21 9.154 -2.221 9.291 197 HE1 MET 21 3HE MET 21 7.817 -2.116 13.064 198 HE2 MET 21 1HE MET 21 6.850 -2.527 11.644 199 HE3 MET 21 2HE MET 21 7.987 -1.176 11.582 200 H ALA 22 H ALA 22 5.404 -5.561 7.724 201 HA ALA 22 HA ALA 22 2.969 -4.564 8.622 202 HB1 ALA 22 3HB ALA 22 3.420 -5.127 6.275 203 HB2 ALA 22 1HB ALA 22 1.938 -5.902 6.839 204 HB3 ALA 22 2HB ALA 22 3.423 -6.845 6.672 205 H GLU 23 H GLU 23 4.223 -7.906 8.809 206 HA GLU 23 HA GLU 23 2.033 -9.075 10.175 207 HB2 GLU 23 2HB GLU 23 4.970 -9.887 10.149 208 HB3 GLU 23 3HB GLU 23 3.661 -10.902 10.752 209 HG2 GLU 23 2HG GLU 23 2.661 -11.006 8.524 210 HG3 GLU 23 3HG GLU 23 3.872 -9.890 7.899 211 H LYS 24 H LYS 24 4.934 -7.441 11.385 212 HA LYS 24 HA LYS 24 4.520 -7.943 14.172 213 HB2 LYS 24 2HB LYS 24 6.108 -5.756 12.764 214 HB3 LYS 24 3HB LYS 24 6.177 -6.074 14.497 215 HG2 LYS 24 2HG LYS 24 7.102 -8.297 14.088 216 HG3 LYS 24 3HG LYS 24 6.957 -8.063 12.345 217 HD2 LYS 24 2HD LYS 24 8.555 -6.121 12.537 218 HD3 LYS 24 3HD LYS 24 8.774 -6.527 14.243 219 HE2 LYS 24 2HE LYS 24 9.589 -8.787 13.559 220 HE3 LYS 24 3HE LYS 24 9.439 -8.300 11.869 221 HZ1 LYS 24 3HZ LYS 24 11.692 -8.051 12.586 222 HZ2 LYS 24 1HZ LYS 24 11.232 -7.094 13.903 223 HZ3 LYS 24 2HZ LYS 24 11.046 -6.511 12.329 224 H ALA 25 H ALA 25 3.485 -5.402 11.962 225 HA ALA 25 HA ALA 25 2.191 -3.802 14.029 226 HB1 ALA 25 3HB ALA 25 2.341 -3.475 11.009 227 HB2 ALA 25 1HB ALA 25 3.374 -2.686 12.202 228 HB3 ALA 25 2HB ALA 25 1.656 -2.299 12.133 229 H ASN 26 H ASN 26 1.379 -6.583 12.407 230 HA ASN 26 HA ASN 26 -0.460 -7.842 12.117 231 HB2 ASN 26 2HB ASN 26 -0.919 -7.153 14.484 232 HB3 ASN 26 3HB ASN 26 -1.877 -5.805 13.894 233 HD21 ASN 26 1HD2 ASN 26 -1.896 -9.149 12.622 234 HD22 ASN 26 2HD2 ASN 26 -3.527 -9.485 13.070 235 H LEU 27 H LEU 27 0.090 -5.390 10.393 236 HA LEU 27 HA LEU 27 -2.491 -4.775 9.187 237 HB2 LEU 27 2HB LEU 27 0.255 -4.117 8.042 238 HB3 LEU 27 3HB LEU 27 -1.283 -3.352 7.671 239 HG LEU 27 HG LEU 27 0.373 -3.058 10.188 240 HD11 LEU 27 1HD1 LEU 27 1.096 -1.669 8.332 241 HD12 LEU 27 2HD1 LEU 27 0.390 -0.673 9.601 242 HD13 LEU 27 3HD1 LEU 27 -0.536 -1.024 8.140 243 HD21 LEU 27 3HD2 LEU 27 -1.371 -1.592 11.104 244 HD22 LEU 27 1HD2 LEU 27 -1.938 -3.251 10.913 245 HD23 LEU 27 2HD2 LEU 27 -2.429 -2.014 9.759 246 H GLU 28 H GLU 28 -3.142 -5.459 7.111 247 HA GLU 28 HA GLU 28 -2.010 -7.987 6.171 248 HB2 GLU 28 2HB GLU 28 -4.656 -6.756 6.104 249 HB3 GLU 28 3HB GLU 28 -4.188 -7.129 4.454 250 HG2 GLU 28 2HG GLU 28 -4.410 -9.062 6.778 251 HG3 GLU 28 3HG GLU 28 -5.440 -8.980 5.351 252 H LEU 29 H LEU 29 -0.471 -8.008 4.617 253 HA LEU 29 HA LEU 29 -0.113 -5.632 2.886 254 HB2 LEU 29 2HB LEU 29 1.849 -6.305 4.230 255 HB3 LEU 29 3HB LEU 29 1.830 -7.905 3.519 256 HG LEU 29 HG LEU 29 2.094 -5.601 1.579 257 HD11 LEU 29 1HD1 LEU 29 4.444 -6.409 3.319 258 HD12 LEU 29 2HD1 LEU 29 3.584 -4.872 3.398 259 HD13 LEU 29 3HD1 LEU 29 4.482 -5.299 1.944 260 HD21 LEU 29 3HD2 LEU 29 3.657 -7.113 0.434 261 HD22 LEU 29 1HD2 LEU 29 2.116 -7.914 0.746 262 HD23 LEU 29 2HD2 LEU 29 3.520 -8.281 1.751 263 H ARG 30 H ARG 30 -0.549 -5.804 0.808 264 HA ARG 30 HA ARG 30 -1.196 -8.406 -0.444 265 HB2 ARG 30 2HB ARG 30 -2.486 -5.767 -1.266 266 HB3 ARG 30 3HB ARG 30 -3.077 -7.394 -1.527 267 HG2 ARG 30 2HG ARG 30 -3.020 -6.033 1.182 268 HG3 ARG 30 3HG ARG 30 -4.409 -6.000 0.101 269 HD2 ARG 30 2HD ARG 30 -3.186 -8.557 1.182 270 HD3 ARG 30 3HD ARG 30 -4.521 -7.703 1.956 271 HE ARG 30 HE ARG 30 -5.369 -8.068 -0.624 272 HH11 ARG 30 1HH1 ARG 30 -4.348 -10.237 1.971 273 HH12 ARG 30 2HH1 ARG 30 -5.347 -11.548 1.411 274 HH21 ARG 30 1HH2 ARG 30 -6.669 -9.795 -1.328 275 HH22 ARG 30 2HH2 ARG 30 -6.656 -11.299 -0.449 276 H THR 31 H THR 31 0.278 -8.775 -2.139 277 HA THR 31 HA THR 31 2.100 -6.648 -2.886 278 HB THR 31 HB THR 31 3.164 -8.434 -4.359 279 HG1 THR 31 HG1 THR 31 2.452 -10.592 -3.965 280 HG21 THR 31 3HG2 THR 31 4.143 -9.674 -2.476 281 HG22 THR 31 1HG2 THR 31 2.833 -9.140 -1.417 282 HG23 THR 31 2HG2 THR 31 3.981 -7.965 -2.065 283 H VAL 32 H VAL 32 1.618 -5.217 -4.345 284 HA VAL 32 HA VAL 32 -0.208 -5.751 -6.598 285 HB VAL 32 HB VAL 32 0.893 -3.102 -5.527 286 HG11 VAL 32 1HG1 VAL 32 -0.752 -2.004 -6.995 287 HG12 VAL 32 2HG1 VAL 32 -1.239 -3.569 -7.649 288 HG13 VAL 32 3HG1 VAL 32 0.393 -2.963 -7.932 289 HG21 VAL 32 3HG2 VAL 32 -1.390 -2.711 -4.663 290 HG22 VAL 32 1HG2 VAL 32 -0.647 -4.133 -3.928 291 HG23 VAL 32 2HG2 VAL 32 -1.869 -4.327 -5.186 292 H LYS 33 H LYS 33 0.438 -5.354 -8.712 293 HA LYS 33 HA LYS 33 3.356 -5.216 -9.248 294 HB2 LYS 33 2HB LYS 33 1.251 -6.955 -10.628 295 HB3 LYS 33 3HB LYS 33 2.969 -6.904 -11.029 296 HG2 LYS 33 2HG LYS 33 3.601 -7.995 -9.020 297 HG3 LYS 33 3HG LYS 33 2.053 -7.651 -8.247 298 HD2 LYS 33 2HD LYS 33 2.262 -10.032 -8.840 299 HD3 LYS 33 3HD LYS 33 0.921 -9.264 -9.687 300 HE2 LYS 33 2HE LYS 33 2.253 -9.138 -11.735 301 HE3 LYS 33 3HE LYS 33 3.655 -9.806 -10.895 302 HZ1 LYS 33 3HZ LYS 33 2.447 -11.466 -12.211 303 HZ2 LYS 33 1HZ LYS 33 1.067 -11.223 -11.262 304 HZ3 LYS 33 2HZ LYS 33 2.472 -11.854 -10.569 305 H THR 34 H THR 34 0.190 -5.085 -10.907 306 HA THR 34 HA THR 34 1.067 -2.768 -12.547 307 HB THR 34 HB THR 34 -0.792 -3.489 -14.099 308 HG1 THR 34 HG1 THR 34 -1.549 -5.723 -13.684 309 HG21 THR 34 3HG2 THR 34 1.515 -4.235 -14.569 310 HG22 THR 34 1HG2 THR 34 0.342 -5.475 -15.030 311 HG23 THR 34 2HG2 THR 34 1.274 -5.651 -13.544 312 H GLU 35 H GLU 35 -0.919 -1.370 -13.205 313 HA GLU 35 HA GLU 35 -2.219 -0.264 -10.980 314 HB2 GLU 35 2HB GLU 35 -3.604 1.019 -12.545 315 HB3 GLU 35 3HB GLU 35 -1.939 0.989 -13.110 316 HG2 GLU 35 2HG GLU 35 -2.431 -0.472 -14.906 317 HG3 GLU 35 3HG GLU 35 -3.950 -0.995 -14.190 318 H ASP 36 H ASP 36 -3.127 -2.876 -13.113 319 HA ASP 36 HA ASP 36 -5.905 -3.014 -12.478 320 HB2 ASP 36 2HB ASP 36 -4.079 -5.151 -13.658 321 HB3 ASP 36 3HB ASP 36 -5.838 -5.155 -13.712 322 H GLU 37 H GLU 37 -2.980 -4.533 -11.140 323 HA GLU 37 HA GLU 37 -4.296 -6.256 -9.291 324 HB2 GLU 37 2HB GLU 37 -1.533 -4.975 -9.174 325 HB3 GLU 37 3HB GLU 37 -2.100 -6.217 -8.066 326 HG2 GLU 37 2HG GLU 37 -1.809 -6.567 -11.055 327 HG3 GLU 37 3HG GLU 37 -0.621 -7.079 -9.862 328 H LEU 38 H LEU 38 -3.125 -2.921 -9.156 329 HA LEU 38 HA LEU 38 -3.570 -2.308 -6.456 330 HB2 LEU 38 2HB LEU 38 -2.333 -1.003 -8.359 331 HB3 LEU 38 3HB LEU 38 -3.898 -0.328 -8.752 332 HG LEU 38 HG LEU 38 -2.413 1.179 -7.401 333 HD11 LEU 38 1HD1 LEU 38 -4.826 1.559 -7.364 334 HD12 LEU 38 2HD1 LEU 38 -4.070 2.003 -5.839 335 HD13 LEU 38 3HD1 LEU 38 -4.985 0.497 -5.963 336 HD21 LEU 38 3HD2 LEU 38 -1.307 -0.497 -6.000 337 HD22 LEU 38 1HD2 LEU 38 -2.820 -0.809 -5.145 338 HD23 LEU 38 2HD2 LEU 38 -2.038 0.767 -5.017 339 H LYS 39 H LYS 39 -5.632 -2.027 -9.303 340 HA LYS 39 HA LYS 39 -7.957 -0.934 -8.097 341 HB2 LYS 39 2HB LYS 39 -7.446 -2.368 -10.732 342 HB3 LYS 39 3HB LYS 39 -9.030 -1.730 -10.301 343 HG2 LYS 39 2HG LYS 39 -8.394 0.480 -10.589 344 HG3 LYS 39 3HG LYS 39 -6.712 0.170 -10.152 345 HD2 LYS 39 2HD LYS 39 -6.984 0.773 -12.555 346 HD3 LYS 39 3HD LYS 39 -6.260 -0.817 -12.326 347 HE2 LYS 39 2HE LYS 39 -8.501 -1.843 -12.746 348 HE3 LYS 39 3HE LYS 39 -9.136 -0.234 -13.089 349 HZ1 LYS 39 3HZ LYS 39 -8.579 -1.314 -15.127 350 HZ2 LYS 39 1HZ LYS 39 -7.009 -1.659 -14.593 351 HZ3 LYS 39 2HZ LYS 39 -7.473 -0.058 -14.881 352 H LYS 40 H LYS 40 -6.929 -4.275 -8.806 353 HA LYS 40 HA LYS 40 -9.374 -5.570 -8.298 354 HB2 LYS 40 2HB LYS 40 -8.233 -7.538 -8.665 355 HB3 LYS 40 3HB LYS 40 -6.964 -6.463 -9.220 356 HG2 LYS 40 2HG LYS 40 -5.998 -6.602 -6.861 357 HG3 LYS 40 3HG LYS 40 -7.146 -7.900 -6.556 358 HD2 LYS 40 2HD LYS 40 -4.930 -7.883 -8.636 359 HD3 LYS 40 3HD LYS 40 -4.955 -8.812 -7.140 360 HE2 LYS 40 2HE LYS 40 -6.848 -10.140 -7.981 361 HE3 LYS 40 3HE LYS 40 -6.876 -9.180 -9.463 362 HZ1 LYS 40 3HZ LYS 40 -5.701 -11.226 -9.844 363 HZ2 LYS 40 1HZ LYS 40 -4.658 -10.932 -8.545 364 HZ3 LYS 40 2HZ LYS 40 -4.596 -9.948 -9.916 365 H TYR 41 H TYR 41 -6.711 -4.678 -6.178 366 HA TYR 41 HA TYR 41 -7.854 -5.833 -3.805 367 HB2 TYR 41 2HB TYR 41 -5.570 -3.861 -4.170 368 HB3 TYR 41 3HB TYR 41 -6.053 -4.519 -2.608 369 HD1 TYR 41 HD1 TYR 41 -6.445 -7.296 -2.849 370 HD2 TYR 41 HD2 TYR 41 -3.603 -4.925 -4.989 371 HE1 TYR 41 HE1 TYR 41 -5.040 -9.277 -3.191 372 HE2 TYR 41 HE2 TYR 41 -2.203 -6.917 -5.330 373 HH TYR 41 HH TYR 41 -3.324 -10.061 -4.759 374 H LEU 42 H LEU 42 -7.887 -2.599 -5.277 375 HA LEU 42 HA LEU 42 -9.177 -1.187 -3.234 376 HB2 LEU 42 2HB LEU 42 -9.368 -0.827 -6.246 377 HB3 LEU 42 3HB LEU 42 -10.074 0.296 -5.096 378 HG LEU 42 HG LEU 42 -7.102 -0.292 -5.387 379 HD11 LEU 42 1HD1 LEU 42 -7.996 0.967 -7.286 380 HD12 LEU 42 2HD1 LEU 42 -6.914 1.960 -6.318 381 HD13 LEU 42 3HD1 LEU 42 -8.660 2.180 -6.190 382 HD21 LEU 42 3HD2 LEU 42 -8.468 1.730 -3.582 383 HD22 LEU 42 1HD2 LEU 42 -6.725 1.574 -3.830 384 HD23 LEU 42 2HD2 LEU 42 -7.624 0.269 -3.062 385 H GLU 43 H GLU 43 -10.622 -3.062 -5.934 386 HA GLU 43 HA GLU 43 -13.359 -2.677 -5.397 387 HB2 GLU 43 2HB GLU 43 -11.958 -5.115 -6.579 388 HB3 GLU 43 3HB GLU 43 -13.698 -4.856 -6.622 389 HG2 GLU 43 2HG GLU 43 -13.407 -2.893 -8.049 390 HG3 GLU 43 3HG GLU 43 -11.652 -3.057 -7.949 391 H GLU 44 H GLU 44 -11.096 -5.098 -4.287 392 HA GLU 44 HA GLU 44 -12.665 -6.745 -2.656 393 HB2 GLU 44 2HB GLU 44 -10.497 -7.448 -3.370 394 HB3 GLU 44 3HB GLU 44 -9.716 -5.999 -2.764 395 HG2 GLU 44 2HG GLU 44 -10.082 -6.782 -0.458 396 HG3 GLU 44 3HG GLU 44 -10.853 -8.241 -1.078 397 H PHE 45 H PHE 45 -11.042 -3.650 -1.952 398 HA PHE 45 HA PHE 45 -11.797 -3.650 0.842 399 HB2 PHE 45 2HB PHE 45 -10.615 -1.400 -0.834 400 HB3 PHE 45 3HB PHE 45 -10.699 -1.454 0.925 401 HD1 PHE 45 HD2 PHE 45 -9.899 -4.560 0.983 402 HD2 PHE 45 HD1 PHE 45 -8.185 -1.071 -0.809 403 HE1 PHE 45 HE2 PHE 45 -7.688 -5.633 0.992 404 HE2 PHE 45 HE1 PHE 45 -5.982 -2.162 -0.789 405 HZ PHE 45 HZ PHE 45 -5.730 -4.438 0.108 406 H ARG 46 H ARG 46 -13.220 -2.459 -2.125 407 HA ARG 46 HA ARG 46 -14.809 -0.351 -1.036 408 HB2 ARG 46 2HB ARG 46 -15.185 -1.966 -3.596 409 HB3 ARG 46 3HB ARG 46 -16.172 -0.575 -3.157 410 HG2 ARG 46 2HG ARG 46 -14.065 0.813 -3.155 411 HG3 ARG 46 3HG ARG 46 -13.225 -0.594 -3.815 412 HD2 ARG 46 2HD ARG 46 -13.845 0.873 -5.634 413 HD3 ARG 46 3HD ARG 46 -14.816 -0.597 -5.743 414 HE ARG 46 HE ARG 46 -16.414 1.071 -4.330 415 HH11 ARG 46 1HH1 ARG 46 -14.763 1.487 -7.418 416 HH12 ARG 46 2HH1 ARG 46 -15.960 2.580 -8.041 417 HH21 ARG 46 1HH2 ARG 46 -17.974 2.484 -5.152 418 HH22 ARG 46 2HH2 ARG 46 -17.790 3.150 -6.746 419 H LYS 47 H LYS 47 -15.382 -3.781 -1.647 420 HA LYS 47 HA LYS 47 -18.179 -3.816 -1.208 421 HB2 LYS 47 2HB LYS 47 -17.957 -6.257 -1.094 422 HB3 LYS 47 3HB LYS 47 -16.995 -5.610 -2.413 423 HG2 LYS 47 2HG LYS 47 -14.954 -5.837 -1.034 424 HG3 LYS 47 3HG LYS 47 -15.919 -6.505 0.281 425 HD2 LYS 47 2HD LYS 47 -15.730 -7.789 -2.474 426 HD3 LYS 47 3HD LYS 47 -14.651 -8.193 -1.143 427 HE2 LYS 47 2HE LYS 47 -16.357 -9.876 -1.230 428 HE3 LYS 47 3HE LYS 47 -16.670 -8.891 0.193 429 HZ1 LYS 47 3HZ LYS 47 -18.091 -8.622 -2.408 430 HZ2 LYS 47 1HZ LYS 47 -18.436 -7.775 -0.983 431 HZ3 LYS 47 2HZ LYS 47 -18.687 -9.444 -1.054 432 H GLU 48 H GLU 48 -15.633 -3.416 0.980 433 HA GLU 48 HA GLU 48 -17.373 -3.812 3.317 434 HB2 GLU 48 2HB GLU 48 -15.457 -4.846 4.538 435 HB3 GLU 48 3HB GLU 48 -15.952 -5.821 3.157 436 HG2 GLU 48 2HG GLU 48 -14.054 -4.854 1.830 437 HG3 GLU 48 3HG GLU 48 -13.547 -3.964 3.265 438 H SER 49 H SER 49 -16.525 -1.431 1.757 439 HA SER 49 HA SER 49 -14.444 -0.061 3.132 440 HB2 SER 49 2HB SER 49 -15.293 1.975 1.913 441 HB3 SER 49 3HB SER 49 -14.910 0.600 0.875 442 HG SER 49 HG SER 49 -17.532 0.846 1.813 443 H GLN 50 H GLN 50 -14.955 -0.363 5.214 444 HA GLN 50 HA GLN 50 -16.042 1.840 6.593 445 HB2 GLN 50 2HB GLN 50 -17.625 0.479 8.081 446 HB3 GLN 50 3HB GLN 50 -18.224 0.864 6.481 447 HG2 GLN 50 2HG GLN 50 -18.905 -1.351 6.872 448 HG3 GLN 50 3HG GLN 50 -17.522 -1.497 5.796 449 HE21 GLN 50 1HE2 GLN 50 -15.703 -2.589 6.525 450 HE22 GLN 50 2HE2 GLN 50 -15.652 -3.442 8.026 451 H ASN 51 H ASN 51 -15.123 1.914 8.665 452 HA ASN 51 HA ASN 51 -13.529 1.573 10.267 453 HB2 ASN 51 2HB ASN 51 -14.292 -1.365 9.910 454 HB3 ASN 51 3HB ASN 51 -13.453 -0.684 11.302 455 HD21 ASN 51 1HD2 ASN 51 -16.057 -2.093 11.089 456 HD22 ASN 51 2HD2 ASN 51 -17.204 -1.034 11.828 457 H ILE 52 H ILE 52 -12.586 1.797 7.597 458 HA ILE 52 HA ILE 52 -10.316 -0.078 7.429 459 HB ILE 52 HB ILE 52 -12.247 -0.801 5.991 460 HG12 ILE 52 2HG1 ILE 52 -9.811 0.059 4.349 461 HG13 ILE 52 3HG1 ILE 52 -9.875 -1.374 5.372 462 HG21 ILE 52 1HG2 ILE 52 -13.179 1.404 5.431 463 HG22 ILE 52 2HG2 ILE 52 -12.846 0.482 3.967 464 HG23 ILE 52 3HG2 ILE 52 -11.757 1.781 4.457 465 HD11 ILE 52 3HD1 ILE 52 -10.207 -1.955 3.053 466 HD12 ILE 52 1HD1 ILE 52 -11.583 -0.860 2.939 467 HD13 ILE 52 2HD1 ILE 52 -11.672 -2.287 3.976 468 H LYS 53 H LYS 53 -8.469 0.731 6.661 469 HA LYS 53 HA LYS 53 -8.349 3.214 5.095 470 HB2 LYS 53 2HB LYS 53 -6.550 2.599 7.488 471 HB3 LYS 53 3HB LYS 53 -6.208 3.855 6.305 472 HG2 LYS 53 2HG LYS 53 -8.210 5.089 6.995 473 HG3 LYS 53 3HG LYS 53 -8.628 3.805 8.136 474 HD2 LYS 53 2HD LYS 53 -6.509 4.236 9.379 475 HD3 LYS 53 3HD LYS 53 -6.123 5.540 8.250 476 HE2 LYS 53 2HE LYS 53 -8.056 6.822 8.993 477 HE3 LYS 53 3HE LYS 53 -8.596 5.485 10.016 478 HZ1 LYS 53 3HZ LYS 53 -6.638 5.746 11.378 479 HZ2 LYS 53 1HZ LYS 53 -7.456 7.221 11.266 480 HZ3 LYS 53 2HZ LYS 53 -6.048 6.975 10.372 481 H VAL 54 H VAL 54 -6.656 3.170 3.578 482 HA VAL 54 HA VAL 54 -5.091 0.647 3.322 483 HB VAL 54 HB VAL 54 -6.181 2.394 1.056 484 HG11 VAL 54 1HG1 VAL 54 -4.729 -0.278 0.904 485 HG12 VAL 54 2HG1 VAL 54 -4.072 1.289 0.426 486 HG13 VAL 54 3HG1 VAL 54 -5.429 0.596 -0.461 487 HG21 VAL 54 3HG2 VAL 54 -7.749 0.550 0.584 488 HG22 VAL 54 1HG2 VAL 54 -7.995 1.188 2.212 489 HG23 VAL 54 2HG2 VAL 54 -7.143 -0.341 1.982 490 H LEU 55 H LEU 55 -2.922 0.860 3.030 491 HA LEU 55 HA LEU 55 -1.690 3.537 2.616 492 HB2 LEU 55 2HB LEU 55 -1.159 2.571 4.804 493 HB3 LEU 55 3HB LEU 55 -0.722 1.038 4.070 494 HG LEU 55 HG LEU 55 1.212 2.264 2.928 495 HD11 LEU 55 1HD1 LEU 55 0.448 4.559 3.143 496 HD12 LEU 55 2HD1 LEU 55 2.020 4.346 3.907 497 HD13 LEU 55 3HD1 LEU 55 0.563 4.461 4.901 498 HD21 LEU 55 3HD2 LEU 55 1.250 2.107 5.953 499 HD22 LEU 55 1HD2 LEU 55 2.662 2.133 4.892 500 HD23 LEU 55 2HD2 LEU 55 1.543 0.774 4.833 501 H ILE 56 H ILE 56 -1.092 3.657 0.472 502 HA ILE 56 HA ILE 56 -0.169 1.203 -0.903 503 HB ILE 56 HB ILE 56 -1.011 3.877 -2.147 504 HG12 ILE 56 2HG1 ILE 56 -2.450 1.175 -2.136 505 HG13 ILE 56 3HG1 ILE 56 -2.920 2.574 -1.184 506 HG21 ILE 56 1HG2 ILE 56 -0.224 1.255 -3.499 507 HG22 ILE 56 2HG2 ILE 56 0.715 2.750 -3.508 508 HG23 ILE 56 3HG2 ILE 56 -0.844 2.685 -4.326 509 HD11 ILE 56 3HD1 ILE 56 -3.424 3.802 -3.233 510 HD12 ILE 56 1HD1 ILE 56 -4.339 2.300 -3.117 511 HD13 ILE 56 2HD1 ILE 56 -2.946 2.398 -4.193 512 H LEU 57 H LEU 57 2.001 0.953 -0.726 513 HA LEU 57 HA LEU 57 3.815 3.290 -0.881 514 HB2 LEU 57 2HB LEU 57 4.499 0.329 -0.488 515 HB3 LEU 57 3HB LEU 57 5.658 1.642 -0.537 516 HG LEU 57 HG LEU 57 5.471 1.073 1.742 517 HD11 LEU 57 1HD1 LEU 57 4.563 3.034 2.858 518 HD12 LEU 57 2HD1 LEU 57 3.676 3.485 1.400 519 HD13 LEU 57 3HD1 LEU 57 5.440 3.489 1.399 520 HD21 LEU 57 3HD2 LEU 57 3.456 -0.310 1.640 521 HD22 LEU 57 1HD2 LEU 57 2.447 1.137 1.536 522 HD23 LEU 57 2HD2 LEU 57 3.393 0.816 2.993 523 H VAL 58 H VAL 58 4.201 3.897 -2.946 524 HA VAL 58 HA VAL 58 4.174 1.923 -5.141 525 HB VAL 58 HB VAL 58 4.020 3.822 -6.665 526 HG11 VAL 58 1HG1 VAL 58 1.834 4.763 -6.040 527 HG12 VAL 58 2HG1 VAL 58 2.048 4.196 -4.382 528 HG13 VAL 58 3HG1 VAL 58 1.899 3.036 -5.700 529 HG21 VAL 58 3HG2 VAL 58 5.466 5.413 -5.444 530 HG22 VAL 58 1HG2 VAL 58 4.192 5.655 -4.245 531 HG23 VAL 58 2HG2 VAL 58 3.942 6.156 -5.921 532 H SER 59 H SER 59 5.901 2.221 -6.812 533 HA SER 59 HA SER 59 8.532 2.714 -5.636 534 HB2 SER 59 2HB SER 59 8.165 0.701 -7.065 535 HB3 SER 59 3HB SER 59 7.768 1.743 -8.431 536 HG SER 59 HG SER 59 10.235 2.053 -7.100 537 H ASN 60 H ASN 60 6.503 3.992 -8.289 538 HA ASN 60 HA ASN 60 8.469 6.167 -8.785 539 HB2 ASN 60 2HB ASN 60 6.446 4.911 -10.692 540 HB3 ASN 60 3HB ASN 60 7.578 6.198 -11.103 541 HD21 ASN 60 1HD2 ASN 60 7.246 3.430 -12.181 542 HD22 ASN 60 2HD2 ASN 60 8.805 2.695 -12.017 543 H ASP 61 H ASP 61 7.653 8.262 -9.381 544 HA ASP 61 HA ASP 61 5.455 9.288 -7.938 545 HB2 ASP 61 2HB ASP 61 6.993 10.484 -10.286 546 HB3 ASP 61 3HB ASP 61 5.769 11.377 -9.383 547 H GLU 62 H GLU 62 5.654 8.039 -11.204 548 HA GLU 62 HA GLU 62 3.137 9.034 -12.157 549 HB2 GLU 62 2HB GLU 62 5.024 8.265 -13.643 550 HB3 GLU 62 3HB GLU 62 4.718 6.609 -13.129 551 HG2 GLU 62 2HG GLU 62 2.444 6.737 -14.104 552 HG3 GLU 62 3HG GLU 62 2.771 8.391 -14.627 553 H GLU 63 H GLU 63 4.243 6.107 -10.522 554 HA GLU 63 HA GLU 63 1.721 4.748 -10.488 555 HB2 GLU 63 2HB GLU 63 4.109 4.337 -8.630 556 HB3 GLU 63 3HB GLU 63 2.785 3.211 -8.897 557 HG2 GLU 63 2HG GLU 63 4.915 4.014 -10.890 558 HG3 GLU 63 3HG GLU 63 4.746 2.452 -10.093 559 H LEU 64 H LEU 64 3.351 7.022 -8.349 560 HA LEU 64 HA LEU 64 1.741 6.933 -6.075 561 HB2 LEU 64 2HB LEU 64 3.927 8.157 -6.331 562 HB3 LEU 64 3HB LEU 64 3.113 9.359 -7.315 563 HG LEU 64 HG LEU 64 1.705 9.974 -5.325 564 HD11 LEU 64 1HD1 LEU 64 2.383 9.224 -3.086 565 HD12 LEU 64 2HD1 LEU 64 3.534 8.091 -3.803 566 HD13 LEU 64 3HD1 LEU 64 1.802 7.889 -4.076 567 HD21 LEU 64 3HD2 LEU 64 3.467 11.210 -4.138 568 HD22 LEU 64 1HD2 LEU 64 3.698 11.285 -5.883 569 HD23 LEU 64 2HD2 LEU 64 4.705 10.214 -4.906 570 H ASP 65 H ASP 65 1.549 9.110 -8.874 571 HA ASP 65 HA ASP 65 -0.915 10.298 -8.121 572 HB2 ASP 65 2HB ASP 65 0.786 10.373 -10.624 573 HB3 ASP 65 3HB ASP 65 -0.798 11.149 -10.596 574 H LYS 66 H LYS 66 -0.119 7.526 -10.173 575 HA LYS 66 HA LYS 66 -2.658 7.187 -11.370 576 HB2 LYS 66 2HB LYS 66 -0.509 6.001 -12.054 577 HB3 LYS 66 3HB LYS 66 -0.701 4.957 -10.651 578 HG2 LYS 66 2HG LYS 66 -1.512 3.814 -12.639 579 HG3 LYS 66 3HG LYS 66 -2.877 4.156 -11.572 580 HD2 LYS 66 2HD LYS 66 -3.475 6.117 -12.956 581 HD3 LYS 66 3HD LYS 66 -2.096 5.805 -14.010 582 HE2 LYS 66 2HE LYS 66 -3.109 3.646 -14.678 583 HE3 LYS 66 3HE LYS 66 -4.491 3.974 -13.626 584 HZ1 LYS 66 3HZ LYS 66 -3.675 5.778 -15.833 585 HZ2 LYS 66 1HZ LYS 66 -5.121 5.814 -14.958 586 HZ3 LYS 66 2HZ LYS 66 -4.807 4.540 -16.027 587 H ALA 67 H ALA 67 -1.222 5.775 -8.429 588 HA ALA 67 HA ALA 67 -3.410 4.160 -7.663 589 HB1 ALA 67 3HB ALA 67 -2.237 3.930 -5.517 590 HB2 ALA 67 1HB ALA 67 -1.179 5.285 -5.933 591 HB3 ALA 67 2HB ALA 67 -1.109 3.789 -6.863 592 H LYS 68 H LYS 68 -2.564 7.540 -6.933 593 HA LYS 68 HA LYS 68 -4.592 8.023 -4.989 594 HB2 LYS 68 2HB LYS 68 -3.077 9.914 -6.830 595 HB3 LYS 68 3HB LYS 68 -4.298 10.494 -5.699 596 HG2 LYS 68 2HG LYS 68 -2.994 9.527 -3.817 597 HG3 LYS 68 3HG LYS 68 -1.752 9.014 -4.956 598 HD2 LYS 68 2HD LYS 68 -2.582 11.899 -4.443 599 HD3 LYS 68 3HD LYS 68 -1.147 11.119 -3.776 600 HE2 LYS 68 2HE LYS 68 -0.194 10.858 -5.991 601 HE3 LYS 68 3HE LYS 68 -1.672 11.454 -6.748 602 HZ1 LYS 68 3HZ LYS 68 -0.055 13.188 -6.725 603 HZ2 LYS 68 1HZ LYS 68 0.223 12.999 -5.067 604 HZ3 LYS 68 2HZ LYS 68 -1.257 13.601 -5.606 605 H GLU 69 H GLU 69 -4.516 8.474 -8.534 606 HA GLU 69 HA GLU 69 -7.061 9.637 -8.900 607 HB2 GLU 69 2HB GLU 69 -5.373 7.933 -10.783 608 HB3 GLU 69 3HB GLU 69 -6.874 8.707 -11.281 609 HG2 GLU 69 2HG GLU 69 -5.939 10.909 -10.871 610 HG3 GLU 69 3HG GLU 69 -4.467 10.199 -10.214 611 H LEU 70 H LEU 70 -6.027 6.252 -9.073 612 HA LEU 70 HA LEU 70 -8.487 5.045 -9.693 613 HB2 LEU 70 2HB LEU 70 -6.079 3.891 -8.214 614 HB3 LEU 70 3HB LEU 70 -7.390 2.935 -8.884 615 HG LEU 70 HG LEU 70 -5.470 4.635 -10.532 616 HD11 LEU 70 1HD1 LEU 70 -4.450 2.516 -11.260 617 HD12 LEU 70 2HD1 LEU 70 -5.492 1.624 -10.148 618 HD13 LEU 70 3HD1 LEU 70 -4.288 2.750 -9.520 619 HD21 LEU 70 3HD2 LEU 70 -7.585 2.661 -11.457 620 HD22 LEU 70 1HD2 LEU 70 -6.419 3.484 -12.497 621 HD23 LEU 70 2HD2 LEU 70 -7.643 4.414 -11.638 622 H ALA 71 H ALA 71 -6.859 5.629 -6.570 623 HA ALA 71 HA ALA 71 -8.720 4.518 -4.810 624 HB1 ALA 71 3HB ALA 71 -7.678 5.932 -3.085 625 HB2 ALA 71 1HB ALA 71 -6.911 6.910 -4.344 626 HB3 ALA 71 2HB ALA 71 -6.460 5.218 -4.141 627 H GLN 72 H GLN 72 -8.688 7.707 -6.348 628 HA GLN 72 HA GLN 72 -10.827 8.850 -4.828 629 HB2 GLN 72 2HB GLN 72 -9.562 9.624 -7.482 630 HB3 GLN 72 3HB GLN 72 -10.856 10.564 -6.734 631 HG2 GLN 72 2HG GLN 72 -9.467 11.034 -4.789 632 HG3 GLN 72 3HG GLN 72 -8.201 9.965 -5.392 633 HE21 GLN 72 1HE2 GLN 72 -6.914 10.658 -7.122 634 HE22 GLN 72 2HE2 GLN 72 -6.814 12.316 -7.589 635 H LYS 73 H LYS 73 -10.673 7.098 -7.930 636 HA LYS 73 HA LYS 73 -13.415 7.452 -8.678 637 HB2 LYS 73 2HB LYS 73 -11.761 5.004 -9.420 638 HB3 LYS 73 3HB LYS 73 -13.091 5.722 -10.321 639 HG2 LYS 73 2HG LYS 73 -10.299 6.809 -9.976 640 HG3 LYS 73 3HG LYS 73 -11.030 6.197 -11.456 641 HD2 LYS 73 2HD LYS 73 -12.538 8.123 -11.557 642 HD3 LYS 73 3HD LYS 73 -11.974 8.694 -9.983 643 HE2 LYS 73 2HE LYS 73 -9.717 9.056 -10.913 644 HE3 LYS 73 3HE LYS 73 -10.264 8.478 -12.489 645 HZ1 LYS 73 3HZ LYS 73 -11.840 10.338 -12.553 646 HZ2 LYS 73 1HZ LYS 73 -10.238 10.871 -12.428 647 HZ3 LYS 73 2HZ LYS 73 -11.246 10.899 -11.072 648 H MET 74 H MET 74 -11.709 5.121 -6.697 649 HA MET 74 HA MET 74 -14.003 3.423 -6.154 650 HB2 MET 74 2HB MET 74 -11.240 3.474 -4.862 651 HB3 MET 74 3HB MET 74 -12.430 2.185 -4.729 652 HG2 MET 74 2HG MET 74 -11.035 3.005 -7.278 653 HG3 MET 74 3HG MET 74 -10.593 1.641 -6.263 654 HE1 MET 74 3HE MET 74 -10.772 0.816 -9.060 655 HE2 MET 74 1HE MET 74 -11.954 -0.489 -9.084 656 HE3 MET 74 2HE MET 74 -10.798 -0.376 -7.756 657 H GLU 75 H GLU 75 -12.808 6.361 -5.003 658 HA GLU 75 HA GLU 75 -13.198 7.770 -3.283 659 HB2 GLU 75 2HB GLU 75 -15.644 6.007 -2.826 660 HB3 GLU 75 3HB GLU 75 -15.400 7.596 -2.109 661 HG2 GLU 75 2HG GLU 75 -15.400 8.624 -4.347 662 HG3 GLU 75 3HG GLU 75 -15.611 7.037 -5.080 663 H ILE 76 H ILE 76 -11.619 5.245 -2.751 664 HA ILE 76 HA ILE 76 -12.108 4.578 0.034 665 HB ILE 76 HB ILE 76 -9.833 3.684 -1.810 666 HG12 ILE 76 2HG1 ILE 76 -12.422 2.247 -1.036 667 HG13 ILE 76 3HG1 ILE 76 -12.072 2.953 -2.608 668 HG21 ILE 76 1HG2 ILE 76 -9.424 1.877 -0.169 669 HG22 ILE 76 2HG2 ILE 76 -10.691 2.518 0.877 670 HG23 ILE 76 3HG2 ILE 76 -9.225 3.459 0.591 671 HD11 ILE 76 3HD1 ILE 76 -11.838 0.544 -2.607 672 HD12 ILE 76 1HD1 ILE 76 -10.589 0.644 -1.367 673 HD13 ILE 76 2HD1 ILE 76 -10.308 1.334 -2.971 674 H ASP 77 H ASP 77 -10.870 5.127 1.770 675 HA ASP 77 HA ASP 77 -9.260 7.523 1.667 676 HB2 ASP 77 2HB ASP 77 -10.840 7.197 3.497 677 HB3 ASP 77 3HB ASP 77 -10.088 5.666 3.930 678 H VAL 78 H VAL 78 -7.190 7.401 1.060 679 HA VAL 78 HA VAL 78 -5.529 5.053 1.805 680 HB VAL 78 HB VAL 78 -5.597 6.474 -0.907 681 HG11 VAL 78 1HG1 VAL 78 -3.306 5.821 -0.348 682 HG12 VAL 78 2HG1 VAL 78 -3.934 4.813 -1.647 683 HG13 VAL 78 3HG1 VAL 78 -3.829 4.171 -0.005 684 HG21 VAL 78 3HG2 VAL 78 -7.501 4.928 -0.610 685 HG22 VAL 78 1HG2 VAL 78 -6.393 3.616 -0.214 686 HG23 VAL 78 2HG2 VAL 78 -6.383 4.324 -1.830 687 H ARG 79 H ARG 79 -3.554 5.503 2.596 688 HA ARG 79 HA ARG 79 -2.345 8.179 2.431 689 HB2 ARG 79 2HB ARG 79 -1.648 5.680 4.043 690 HB3 ARG 79 3HB ARG 79 -0.483 6.978 3.823 691 HG2 ARG 79 2HG ARG 79 -1.520 7.220 5.971 692 HG3 ARG 79 3HG ARG 79 -2.044 8.551 4.940 693 HD2 ARG 79 2HD ARG 79 -4.211 7.467 4.594 694 HD3 ARG 79 3HD ARG 79 -3.682 6.057 5.525 695 HE ARG 79 HE ARG 79 -3.316 7.960 7.316 696 HH11 ARG 79 1HH1 ARG 79 -6.087 7.459 5.226 697 HH12 ARG 79 2HH1 ARG 79 -7.213 8.147 6.343 698 HH21 ARG 79 1HH2 ARG 79 -4.771 8.841 8.781 699 HH22 ARG 79 2HH2 ARG 79 -6.460 8.944 8.382 700 H THR 80 H THR 80 -1.411 8.414 0.451 701 HA THR 80 HA THR 80 -0.278 6.032 -0.894 702 HB THR 80 HB THR 80 -0.767 8.672 -2.334 703 HG1 THR 80 HG1 THR 80 -2.674 7.181 -1.135 704 HG21 THR 80 3HG2 THR 80 0.426 6.844 -3.536 705 HG22 THR 80 1HG2 THR 80 -1.152 7.159 -4.261 706 HG23 THR 80 2HG2 THR 80 -0.923 5.752 -3.220 707 H ARG 81 H ARG 81 1.796 5.872 -0.425 708 HA ARG 81 HA ARG 81 3.554 8.239 -0.132 709 HB2 ARG 81 2HB ARG 81 3.725 5.492 1.207 710 HB3 ARG 81 3HB ARG 81 4.854 6.816 1.460 711 HG2 ARG 81 2HG ARG 81 1.908 7.036 2.125 712 HG3 ARG 81 3HG ARG 81 3.099 6.426 3.273 713 HD2 ARG 81 2HD ARG 81 4.203 8.528 3.414 714 HD3 ARG 81 3HD ARG 81 3.416 9.134 1.958 715 HE ARG 81 HE ARG 81 1.732 9.900 3.251 716 HH11 ARG 81 1HH1 ARG 81 3.177 7.260 5.111 717 HH12 ARG 81 2HH1 ARG 81 2.140 7.526 6.478 718 HH21 ARG 81 1HH2 ARG 81 0.421 10.209 5.047 719 HH22 ARG 81 2HH2 ARG 81 0.589 9.185 6.440 720 H LYS 82 H LYS 82 5.552 8.139 -1.205 721 HA LYS 82 HA LYS 82 5.977 5.891 -3.086 722 HB2 LYS 82 2HB LYS 82 5.865 8.136 -4.135 723 HB3 LYS 82 3HB LYS 82 7.168 8.706 -3.096 724 HG2 LYS 82 2HG LYS 82 8.657 6.920 -4.146 725 HG3 LYS 82 3HG LYS 82 7.350 6.612 -5.293 726 HD2 LYS 82 2HD LYS 82 9.025 8.111 -6.280 727 HD3 LYS 82 3HD LYS 82 7.492 8.963 -6.082 728 HE2 LYS 82 2HE LYS 82 8.368 10.007 -3.997 729 HE3 LYS 82 3HE LYS 82 9.907 9.176 -4.244 730 HZ1 LYS 82 3HZ LYS 82 10.185 10.374 -6.311 731 HZ2 LYS 82 1HZ LYS 82 9.977 11.457 -5.034 732 HZ3 LYS 82 2HZ LYS 82 8.706 11.155 -6.105 733 H VAL 83 H VAL 83 7.703 4.587 -2.821 734 HA VAL 83 HA VAL 83 9.828 5.329 -0.912 735 HB VAL 83 HB VAL 83 9.912 3.033 -0.036 736 HG11 VAL 83 1HG1 VAL 83 7.814 3.064 1.297 737 HG12 VAL 83 2HG1 VAL 83 7.145 4.279 0.207 738 HG13 VAL 83 3HG1 VAL 83 8.563 4.656 1.189 739 HG21 VAL 83 3HG2 VAL 83 8.139 1.365 -0.515 740 HG22 VAL 83 1HG2 VAL 83 9.051 1.770 -1.970 741 HG23 VAL 83 2HG2 VAL 83 7.439 2.445 -1.724 742 H THR 84 H THR 84 11.830 4.937 -1.561 743 HA THR 84 HA THR 84 12.322 3.454 -4.093 744 HB THR 84 HB THR 84 14.372 4.875 -4.335 745 HG1 THR 84 HG1 THR 84 13.328 6.151 -1.999 746 HG21 THR 84 3HG2 THR 84 11.842 6.539 -4.033 747 HG22 THR 84 1HG2 THR 84 12.318 5.644 -5.475 748 HG23 THR 84 2HG2 THR 84 13.289 7.009 -4.928 749 H SER 85 H SER 85 12.922 3.684 -0.709 750 HA SER 85 HA SER 85 14.998 1.574 -0.792 751 HB2 SER 85 2HB SER 85 14.859 3.923 1.167 752 HB3 SER 85 3HB SER 85 16.111 2.679 1.111 753 HG SER 85 HG SER 85 15.529 4.619 -0.880 754 HA PRO 86 HA PRO 86 12.235 -0.876 1.607 755 HB2 PRO 86 2HB PRO 86 13.880 -2.164 3.453 756 HB3 PRO 86 3HB PRO 86 13.781 -2.583 1.731 757 HG2 PRO 86 2HG PRO 86 15.801 -0.853 3.125 758 HG3 PRO 86 3HG PRO 86 16.052 -2.125 1.902 759 HD2 PRO 86 2HD PRO 86 16.090 0.457 1.198 760 HD3 PRO 86 3HD PRO 86 15.349 -0.759 0.136 761 H ASP 87 H ASP 87 14.357 1.061 3.696 762 HA ASP 87 HA ASP 87 12.776 0.606 6.061 763 HB2 ASP 87 2HB ASP 87 15.109 2.471 5.530 764 HB3 ASP 87 3HB ASP 87 14.295 2.393 7.090 765 H GLU 88 H GLU 88 12.746 3.063 3.571 766 HA GLU 88 HA GLU 88 11.037 4.958 4.778 767 HB2 GLU 88 2HB GLU 88 11.150 4.059 1.860 768 HB3 GLU 88 3HB GLU 88 10.286 5.484 2.433 769 HG2 GLU 88 2HG GLU 88 12.443 6.442 3.223 770 HG3 GLU 88 3HG GLU 88 13.277 5.031 2.569 771 H ALA 89 H ALA 89 10.310 1.978 2.974 772 HA ALA 89 HA ALA 89 7.479 2.144 3.058 773 HB1 ALA 89 3HB ALA 89 7.507 -0.222 2.370 774 HB2 ALA 89 1HB ALA 89 9.232 -0.322 2.748 775 HB3 ALA 89 2HB ALA 89 8.671 0.722 1.442 776 H LYS 90 H LYS 90 9.844 0.433 5.103 777 HA LYS 90 HA LYS 90 8.130 -0.942 6.827 778 HB2 LYS 90 2HB LYS 90 10.891 0.231 7.373 779 HB3 LYS 90 3HB LYS 90 10.100 -0.998 8.359 780 HG2 LYS 90 2HG LYS 90 10.216 -2.614 6.550 781 HG3 LYS 90 3HG LYS 90 10.827 -1.383 5.442 782 HD2 LYS 90 2HD LYS 90 12.684 -2.775 6.181 783 HD3 LYS 90 3HD LYS 90 12.875 -1.160 6.852 784 HE2 LYS 90 2HE LYS 90 12.071 -1.924 9.020 785 HE3 LYS 90 3HE LYS 90 11.721 -3.524 8.361 786 HZ1 LYS 90 3HZ LYS 90 13.796 -3.545 9.548 787 HZ2 LYS 90 1HZ LYS 90 14.412 -2.280 8.606 788 HZ3 LYS 90 2HZ LYS 90 14.089 -3.786 7.899 789 H ARG 91 H ARG 91 9.510 2.318 7.033 790 HA ARG 91 HA ARG 91 8.618 3.083 9.573 791 HB2 ARG 91 2HB ARG 91 10.267 4.442 8.449 792 HB3 ARG 91 3HB ARG 91 9.209 4.710 7.068 793 HG2 ARG 91 2HG ARG 91 7.682 6.040 8.540 794 HG3 ARG 91 3HG ARG 91 8.836 5.847 9.865 795 HD2 ARG 91 2HD ARG 91 9.039 8.033 8.683 796 HD3 ARG 91 3HD ARG 91 10.527 7.083 8.633 797 HE ARG 91 HE ARG 91 8.707 6.868 6.343 798 HH11 ARG 91 1HH1 ARG 91 11.670 8.284 7.616 799 HH12 ARG 91 2HH1 ARG 91 12.292 8.691 6.048 800 HH21 ARG 91 1HH2 ARG 91 9.556 7.401 4.282 801 HH22 ARG 91 2HH2 ARG 91 11.094 8.194 4.160 802 H TRP 92 H TRP 92 7.090 3.758 6.344 803 HA TRP 92 HA TRP 92 4.877 5.085 7.367 804 HB2 TRP 92 2HB TRP 92 5.120 3.557 4.752 805 HB3 TRP 92 3HB TRP 92 3.837 4.703 5.136 806 HD1 TRP 92 HD1 TRP 92 6.489 4.749 2.930 807 HE1 TRP 92 HE1 TRP 92 7.627 7.028 2.674 808 HE3 TRP 92 HE3 TRP 92 4.830 7.001 7.211 809 HZ2 TRP 92 HZ2 TRP 92 7.816 9.444 4.066 810 HZ3 TRP 92 HZ3 TRP 92 5.546 9.312 7.679 811 HH2 TRP 92 HH2 TRP 92 7.011 10.509 6.132 812 H ILE 93 H ILE 93 5.402 1.652 6.949 813 HA ILE 93 HA ILE 93 2.710 0.777 7.286 814 HB ILE 93 HB ILE 93 5.419 -0.584 7.611 815 HG12 ILE 93 2HG1 ILE 93 3.236 -0.895 5.489 816 HG13 ILE 93 3HG1 ILE 93 4.686 0.085 5.307 817 HG21 ILE 93 1HG2 ILE 93 2.710 -1.950 7.820 818 HG22 ILE 93 2HG2 ILE 93 3.875 -1.748 9.130 819 HG23 ILE 93 3HG2 ILE 93 4.274 -2.764 7.747 820 HD11 ILE 93 3HD1 ILE 93 6.057 -1.938 5.497 821 HD12 ILE 93 1HD1 ILE 93 4.925 -1.990 4.144 822 HD13 ILE 93 2HD1 ILE 93 4.580 -2.905 5.611 823 H LYS 94 H LYS 94 5.455 1.233 9.516 824 HA LYS 94 HA LYS 94 4.164 0.426 11.895 825 HB2 LYS 94 2HB LYS 94 6.642 0.642 11.502 826 HB3 LYS 94 3HB LYS 94 6.473 2.391 11.557 827 HG2 LYS 94 2HG LYS 94 5.829 2.311 13.897 828 HG3 LYS 94 3HG LYS 94 5.765 0.545 13.859 829 HD2 LYS 94 2HD LYS 94 8.229 0.523 13.332 830 HD3 LYS 94 3HD LYS 94 8.248 2.276 13.541 831 HE2 LYS 94 2HE LYS 94 7.585 2.032 15.888 832 HE3 LYS 94 3HE LYS 94 7.446 0.283 15.688 833 HZ1 LYS 94 3HZ LYS 94 9.830 0.198 15.207 834 HZ2 LYS 94 1HZ LYS 94 9.524 0.862 16.732 835 HZ3 LYS 94 2HZ LYS 94 9.953 1.868 15.447 836 H GLU 95 H GLU 95 4.459 3.610 10.314 837 HA GLU 95 HA GLU 95 3.278 5.151 12.421 838 HB2 GLU 95 2HB GLU 95 3.677 5.886 9.486 839 HB3 GLU 95 3HB GLU 95 3.300 7.016 10.783 840 HG2 GLU 95 2HG GLU 95 5.844 5.397 10.504 841 HG3 GLU 95 3HG GLU 95 5.666 7.119 10.194 842 H PHE 96 H PHE 96 2.068 3.663 9.483 843 HA PHE 96 HA PHE 96 -0.553 4.779 9.442 844 HB2 PHE 96 2HB PHE 96 0.487 3.795 7.457 845 HB3 PHE 96 3HB PHE 96 0.608 2.230 8.245 846 HD1 PHE 96 HD1 PHE 96 -1.923 4.755 7.090 847 HD2 PHE 96 HD2 PHE 96 -1.079 0.643 7.887 848 HE1 PHE 96 HE1 PHE 96 -4.069 4.102 6.083 849 HE2 PHE 96 HE2 PHE 96 -3.221 -0.001 6.885 850 HZ PHE 96 HZ PHE 96 -4.704 1.727 5.984 851 H SER 97 H SER 97 0.883 1.920 10.893 852 HA SER 97 HA SER 97 -1.495 0.738 11.914 853 HB2 SER 97 2HB SER 97 0.785 -0.381 11.607 854 HB3 SER 97 3HB SER 97 1.309 0.455 13.067 855 HG SER 97 HG SER 97 -0.216 -1.778 12.798 856 H GLU 98 H GLU 98 0.748 3.220 13.120 857 HA GLU 98 HA GLU 98 -0.330 3.458 15.741 858 HB2 GLU 98 2HB GLU 98 1.157 5.549 14.087 859 HB3 GLU 98 3HB GLU 98 0.795 5.697 15.803 860 HG2 GLU 98 2HG GLU 98 2.652 3.707 14.488 861 HG3 GLU 98 3HG GLU 98 3.082 5.027 15.571 862 H GLU 99 H GLU 99 -1.099 5.021 12.637 863 HA GLU 99 HA GLU 99 -3.038 6.874 13.493 864 HB2 GLU 99 2HB GLU 99 -2.963 5.334 10.858 865 HB3 GLU 99 3HB GLU 99 -3.958 6.753 11.176 866 HG2 GLU 99 2HG GLU 99 -1.847 8.054 11.566 867 HG3 GLU 99 3HG GLU 99 -0.942 6.634 11.041 868 H GLY 100 H GLY 100 -3.313 3.520 12.433 869 HA2 GLY 100 2HA GLY 100 -4.821 1.867 12.747 870 HA3 GLY 100 3HA GLY 100 -5.010 2.564 14.344 871 H GLY 101 H GLY 101 -7.025 2.957 14.847 872 HA2 GLY 101 2HA GLY 101 -9.183 2.956 12.972 873 HA3 GLY 101 3HA GLY 101 -9.293 3.206 14.705 874 H SER 102 H SER 102 -7.723 5.429 15.085 875 HA SER 102 HA SER 102 -8.166 7.608 15.510 876 HB2 SER 102 2HB SER 102 -8.870 7.718 12.548 877 HB3 SER 102 3HB SER 102 -8.492 9.112 13.566 878 HG SER 102 HG SER 102 -6.500 7.454 13.896 879 H LEU 103 H LEU 103 -10.174 5.774 16.086 880 HA LEU 103 HA LEU 103 -12.760 6.449 15.123 881 HB2 LEU 103 2HB LEU 103 -12.038 4.917 17.651 882 HB3 LEU 103 3HB LEU 103 -13.576 4.863 16.806 883 HG LEU 103 HG LEU 103 -10.928 3.798 15.738 884 HD11 LEU 103 1HD1 LEU 103 -13.357 2.276 16.730 885 HD12 LEU 103 2HD1 LEU 103 -11.800 2.411 17.550 886 HD13 LEU 103 3HD1 LEU 103 -11.909 1.566 16.009 887 HD21 LEU 103 3HD2 LEU 103 -12.315 4.595 13.886 888 HD22 LEU 103 1HD2 LEU 103 -13.684 3.643 14.470 889 HD23 LEU 103 2HD2 LEU 103 -12.228 2.836 13.883 890 H GLU 104 H GLU 104 -10.875 7.404 17.916 891 HA GLU 104 HA GLU 104 -12.878 8.794 19.391 892 HB2 GLU 104 2HB GLU 104 -9.866 9.256 19.370 893 HB3 GLU 104 3HB GLU 104 -10.987 9.789 20.619 894 HG2 GLU 104 2HG GLU 104 -11.426 7.501 21.289 895 HG3 GLU 104 3HG GLU 104 -10.469 6.879 19.944 896 H HIS 105 H HIS 105 -10.943 9.639 16.633 897 HA HIS 105 HA HIS 105 -11.447 12.519 16.841 898 HB2 HIS 105 2HB HIS 105 -9.763 10.838 14.943 899 HB3 HIS 105 3HB HIS 105 -10.023 12.566 14.706 900 HD1 HIS 105 HD1 HIS 105 -8.573 14.142 16.042 901 HD2 HIS 105 HD2 HIS 105 -8.215 10.203 17.317 902 HE1 HIS 105 HE1 HIS 105 -6.664 14.131 17.663 903 HE2 HIS 105 HE2 HIS 105 -6.578 11.784 18.549 904 H HIS 106 H HIS 106 -13.092 13.483 15.768 905 HA HIS 106 HA HIS 106 -14.993 11.982 14.280 906 HB2 HIS 106 2HB HIS 106 -16.103 14.254 13.894 907 HB3 HIS 106 3HB HIS 106 -15.915 13.735 15.558 908 HD1 HIS 106 HD1 HIS 106 -14.991 15.412 17.103 909 HD2 HIS 106 HD2 HIS 106 -14.042 16.318 13.156 910 HE1 HIS 106 HE1 HIS 106 -13.878 17.666 17.173 911 HE2 HIS 106 HE2 HIS 106 -13.494 18.263 14.767 912 H HIS 107 H HIS 107 -13.892 11.092 12.562 913 HA HIS 107 HA HIS 107 -13.758 12.852 10.163 914 HB2 HIS 107 2HB HIS 107 -12.079 10.332 10.690 915 HB3 HIS 107 3HB HIS 107 -12.130 11.214 9.163 916 HD1 HIS 107 HD1 HIS 107 -10.432 13.040 8.902 917 HD2 HIS 107 HD2 HIS 107 -10.892 11.892 12.862 918 HE1 HIS 107 HE1 HIS 107 -8.663 14.286 10.176 919 HE2 HIS 107 HE2 HIS 107 -9.080 13.702 12.579 920 H HIS 108 H HIS 108 -15.644 12.408 9.125 921 HA HIS 108 HA HIS 108 -17.369 10.306 9.706 922 HB2 HIS 108 2HB HIS 108 -18.130 12.387 8.623 923 HB3 HIS 108 3HB HIS 108 -17.265 11.965 7.148 924 HD1 HIS 108 HD1 HIS 108 -18.431 10.357 5.542 925 HD2 HIS 108 HD2 HIS 108 -20.488 10.844 9.115 926 HE1 HIS 108 HE1 HIS 108 -20.643 9.232 5.202 927 HE2 HIS 108 HE2 HIS 108 -21.780 9.353 7.441 928 H HIS 109 H HIS 109 -14.947 10.517 7.066 929 HA HIS 109 HA HIS 109 -15.454 7.759 6.313 930 HB2 HIS 109 2HB HIS 109 -13.750 7.991 4.618 931 HB3 HIS 109 3HB HIS 109 -14.791 9.398 4.566 932 HD1 HIS 109 HD1 HIS 109 -13.659 11.659 4.716 933 HD2 HIS 109 HD2 HIS 109 -11.089 8.516 5.584 934 HE1 HIS 109 HE1 HIS 109 -11.346 12.645 4.700 935 HE2 HIS 109 HE2 HIS 109 -9.808 10.696 5.078 936 H HIS 110 H HIS 110 -14.903 6.277 7.646 937 HA HIS 110 HA HIS 110 -12.171 5.620 8.083 938 HB2 HIS 110 2HB HIS 110 -12.311 5.324 10.580 939 HB3 HIS 110 3HB HIS 110 -12.341 7.008 10.084 940 HD1 HIS 110 HD1 HIS 110 -15.182 7.692 9.737 941 HD2 HIS 110 HD2 HIS 110 -13.972 5.052 12.693 942 HE1 HIS 110 HE1 HIS 110 -17.037 7.680 11.415 943 HE2 HIS 110 HE2 HIS 110 -16.152 6.288 13.308 Start of MODEL 11 1 H1 MET 1 1H MET 1 -11.568 -1.183 13.415 2 H2 MET 1 2H MET 1 -11.428 0.254 14.290 3 H3 MET 1 3H MET 1 -10.106 -0.786 14.166 4 HA MET 1 HA MET 1 -11.382 0.671 11.935 5 HB2 MET 1 2HB MET 1 -9.995 2.021 13.647 6 HB3 MET 1 3HB MET 1 -8.591 1.127 13.080 7 HG2 MET 1 2HG MET 1 -8.629 3.244 11.964 8 HG3 MET 1 3HG MET 1 -9.068 2.018 10.771 9 HE1 MET 1 3HE MET 1 -11.201 5.216 9.785 10 HE2 MET 1 1HE MET 1 -10.016 4.047 9.203 11 HE3 MET 1 2HE MET 1 -9.575 5.197 10.469 12 H LEU 2 H LEU 2 -10.994 -0.247 10.002 13 HA LEU 2 HA LEU 2 -9.424 -2.688 9.810 14 HB2 LEU 2 2HB LEU 2 -11.084 -1.196 7.726 15 HB3 LEU 2 3HB LEU 2 -10.345 -2.768 7.483 16 HG LEU 2 HG LEU 2 -12.556 -2.164 9.486 17 HD11 LEU 2 1HD1 LEU 2 -12.696 -3.653 6.844 18 HD12 LEU 2 2HD1 LEU 2 -13.375 -2.057 7.183 19 HD13 LEU 2 3HD1 LEU 2 -14.013 -3.475 8.008 20 HD21 LEU 2 3HD2 LEU 2 -12.689 -4.612 9.811 21 HD22 LEU 2 1HD2 LEU 2 -11.119 -3.976 10.304 22 HD23 LEU 2 2HD2 LEU 2 -11.282 -4.831 8.768 23 H LEU 3 H LEU 3 -7.261 -2.564 9.396 24 HA LEU 3 HA LEU 3 -6.184 -0.267 7.849 25 HB2 LEU 3 2HB LEU 3 -4.799 -1.939 9.999 26 HB3 LEU 3 3HB LEU 3 -4.084 -0.590 9.136 27 HG LEU 3 HG LEU 3 -6.369 -0.427 11.143 28 HD11 LEU 3 1HD1 LEU 3 -3.503 0.557 11.368 29 HD12 LEU 3 2HD1 LEU 3 -4.194 -0.836 12.201 30 HD13 LEU 3 3HD1 LEU 3 -4.779 0.784 12.569 31 HD21 LEU 3 3HD2 LEU 3 -6.195 2.027 10.921 32 HD22 LEU 3 1HD2 LEU 3 -6.705 1.262 9.417 33 HD23 LEU 3 2HD2 LEU 3 -5.043 1.826 9.598 34 H TYR 4 H TYR 4 -5.547 -0.894 5.840 35 HA TYR 4 HA TYR 4 -4.391 -3.596 5.413 36 HB2 TYR 4 2HB TYR 4 -6.375 -2.110 3.621 37 HB3 TYR 4 3HB TYR 4 -5.477 -3.541 3.111 38 HD1 TYR 4 HD1 TYR 4 -5.852 -5.739 4.296 39 HD2 TYR 4 HD2 TYR 4 -8.350 -2.344 5.012 40 HE1 TYR 4 HE1 TYR 4 -7.524 -7.186 5.380 41 HE2 TYR 4 HE2 TYR 4 -10.022 -3.799 6.071 42 HH TYR 4 HH TYR 4 -10.680 -6.105 6.176 43 H VAL 5 H VAL 5 -2.666 -3.710 4.058 44 HA VAL 5 HA VAL 5 -1.480 -1.180 3.083 45 HB VAL 5 HB VAL 5 0.018 -3.669 4.069 46 HG11 VAL 5 1HG1 VAL 5 1.090 -0.941 3.248 47 HG12 VAL 5 2HG1 VAL 5 1.260 -2.441 2.331 48 HG13 VAL 5 3HG1 VAL 5 2.048 -2.274 3.899 49 HG21 VAL 5 3HG2 VAL 5 -0.315 -0.981 5.465 50 HG22 VAL 5 1HG2 VAL 5 0.691 -2.320 6.029 51 HG23 VAL 5 2HG2 VAL 5 -1.063 -2.501 5.959 52 H LEU 6 H LEU 6 -1.107 -1.124 0.951 53 HA LEU 6 HA LEU 6 -0.749 -3.588 -0.642 54 HB2 LEU 6 2HB LEU 6 -1.707 -0.841 -1.593 55 HB3 LEU 6 3HB LEU 6 -1.536 -2.278 -2.593 56 HG LEU 6 HG LEU 6 -3.552 -1.880 -0.349 57 HD11 LEU 6 1HD1 LEU 6 -5.267 -1.989 -2.089 58 HD12 LEU 6 2HD1 LEU 6 -4.024 -2.135 -3.334 59 HD13 LEU 6 3HD1 LEU 6 -4.154 -0.653 -2.384 60 HD21 LEU 6 3HD2 LEU 6 -3.178 -4.313 -2.114 61 HD22 LEU 6 1HD2 LEU 6 -4.452 -4.076 -0.920 62 HD23 LEU 6 2HD2 LEU 6 -2.784 -4.205 -0.395 63 H ILE 7 H ILE 7 1.011 -3.523 -2.177 64 HA ILE 7 HA ILE 7 2.849 -1.228 -2.007 65 HB ILE 7 HB ILE 7 3.700 -2.737 -0.297 66 HG12 ILE 7 2HG1 ILE 7 5.447 -2.857 -2.796 67 HG13 ILE 7 3HG1 ILE 7 5.375 -1.517 -1.657 68 HG21 ILE 7 1HG2 ILE 7 2.713 -4.867 -1.041 69 HG22 ILE 7 2HG2 ILE 7 4.438 -5.041 -0.721 70 HG23 ILE 7 3HG2 ILE 7 3.859 -4.934 -2.384 71 HD11 ILE 7 3HD1 ILE 7 7.354 -2.864 -1.327 72 HD12 ILE 7 1HD1 ILE 7 6.366 -4.297 -1.058 73 HD13 ILE 7 2HD1 ILE 7 6.303 -2.952 0.084 74 H ILE 8 H ILE 8 3.203 -0.582 -4.011 75 HA ILE 8 HA ILE 8 3.324 -2.496 -6.261 76 HB ILE 8 HB ILE 8 3.268 0.559 -6.438 77 HG12 ILE 8 2HG1 ILE 8 0.840 -1.285 -6.549 78 HG13 ILE 8 3HG1 ILE 8 1.254 -0.267 -5.178 79 HG21 ILE 8 1HG2 ILE 8 2.534 -1.567 -8.495 80 HG22 ILE 8 2HG2 ILE 8 4.019 -0.613 -8.486 81 HG23 ILE 8 3HG2 ILE 8 2.464 0.180 -8.746 82 HD11 ILE 8 3HD1 ILE 8 0.955 1.710 -6.571 83 HD12 ILE 8 1HD1 ILE 8 -0.495 0.715 -6.482 84 HD13 ILE 8 2HD1 ILE 8 0.506 0.676 -7.929 85 H SER 9 H SER 9 5.417 -3.256 -6.189 86 HA SER 9 HA SER 9 7.559 -1.492 -6.968 87 HB2 SER 9 2HB SER 9 7.628 -1.225 -4.479 88 HB3 SER 9 3HB SER 9 7.800 -2.969 -4.295 89 HG SER 9 HG SER 9 9.724 -1.243 -4.535 90 H ASN 10 H ASN 10 9.312 -2.616 -7.835 91 HA ASN 10 HA ASN 10 8.927 -5.512 -8.305 92 HB2 ASN 10 2HB ASN 10 10.399 -5.252 -10.258 93 HB3 ASN 10 3HB ASN 10 9.060 -4.119 -10.349 94 HD21 ASN 10 1HD2 ASN 10 11.605 -4.013 -11.721 95 HD22 ASN 10 2HD2 ASN 10 12.333 -2.506 -11.282 96 H ASP 11 H ASP 11 10.608 -3.469 -6.301 97 HA ASP 11 HA ASP 11 13.192 -4.821 -6.286 98 HB2 ASP 11 2HB ASP 11 12.936 -2.331 -5.957 99 HB3 ASP 11 3HB ASP 11 12.122 -2.647 -4.426 100 H LYS 12 H LYS 12 13.274 -6.751 -5.350 101 HA LYS 12 HA LYS 12 11.280 -7.857 -3.698 102 HB2 LYS 12 2HB LYS 12 14.092 -8.891 -4.221 103 HB3 LYS 12 3HB LYS 12 12.796 -9.828 -3.484 104 HG2 LYS 12 2HG LYS 12 12.819 -8.728 -6.309 105 HG3 LYS 12 3HG LYS 12 13.077 -10.409 -5.841 106 HD2 LYS 12 2HD LYS 12 10.751 -10.473 -4.917 107 HD3 LYS 12 3HD LYS 12 10.508 -8.816 -5.479 108 HE2 LYS 12 2HE LYS 12 10.833 -9.550 -7.808 109 HE3 LYS 12 3HE LYS 12 11.128 -11.202 -7.258 110 HZ1 LYS 12 3HZ LYS 12 8.871 -10.994 -7.999 111 HZ2 LYS 12 1HZ LYS 12 8.596 -9.674 -6.979 112 HZ3 LYS 12 2HZ LYS 12 8.864 -11.204 -6.322 113 H LYS 13 H LYS 13 14.281 -6.209 -2.836 114 HA LYS 13 HA LYS 13 14.412 -6.987 -0.096 115 HB2 LYS 13 2HB LYS 13 15.336 -4.424 -1.467 116 HB3 LYS 13 3HB LYS 13 15.663 -4.795 0.221 117 HG2 LYS 13 2HG LYS 13 17.019 -6.734 -0.445 118 HG3 LYS 13 3HG LYS 13 16.651 -6.420 -2.145 119 HD2 LYS 13 2HD LYS 13 18.898 -5.549 -1.509 120 HD3 LYS 13 3HD LYS 13 17.816 -4.262 -2.042 121 HE2 LYS 13 2HE LYS 13 17.373 -3.672 0.329 122 HE3 LYS 13 3HE LYS 13 18.485 -4.938 0.846 123 HZ1 LYS 13 3HZ LYS 13 19.523 -2.766 0.862 124 HZ2 LYS 13 1HZ LYS 13 19.208 -2.567 -0.787 125 HZ3 LYS 13 2HZ LYS 13 20.272 -3.770 -0.269 126 H LEU 14 H LEU 14 12.966 -4.179 -1.750 127 HA LEU 14 HA LEU 14 11.928 -2.863 0.508 128 HB2 LEU 14 2HB LEU 14 12.393 -2.022 -1.891 129 HB3 LEU 14 3HB LEU 14 10.825 -2.658 -2.326 130 HG LEU 14 HG LEU 14 11.060 -0.601 -0.099 131 HD11 LEU 14 1HD1 LEU 14 10.934 0.067 -3.064 132 HD12 LEU 14 2HD1 LEU 14 12.301 0.363 -1.986 133 HD13 LEU 14 3HD1 LEU 14 10.785 1.219 -1.732 134 HD21 LEU 14 3HD2 LEU 14 8.837 -1.188 -2.086 135 HD22 LEU 14 1HD2 LEU 14 8.793 0.047 -0.821 136 HD23 LEU 14 2HD2 LEU 14 8.869 -1.657 -0.385 137 H ILE 15 H ILE 15 10.589 -5.353 -1.567 138 HA ILE 15 HA ILE 15 7.888 -5.306 -0.670 139 HB ILE 15 HB ILE 15 9.499 -7.457 -2.107 140 HG12 ILE 15 2HG1 ILE 15 7.443 -5.465 -3.187 141 HG13 ILE 15 3HG1 ILE 15 9.187 -5.282 -3.332 142 HG21 ILE 15 1HG2 ILE 15 7.606 -8.535 -0.978 143 HG22 ILE 15 2HG2 ILE 15 7.339 -8.505 -2.721 144 HG23 ILE 15 3HG2 ILE 15 6.493 -7.359 -1.679 145 HD11 ILE 15 3HD1 ILE 15 9.260 -7.340 -4.682 146 HD12 ILE 15 1HD1 ILE 15 8.262 -6.074 -5.395 147 HD13 ILE 15 2HD1 ILE 15 7.501 -7.440 -4.582 148 H GLU 16 H GLU 16 10.613 -7.484 0.102 149 HA GLU 16 HA GLU 16 9.251 -9.048 2.059 150 HB2 GLU 16 2HB GLU 16 12.223 -8.629 1.547 151 HB3 GLU 16 3HB GLU 16 11.618 -9.739 2.776 152 HG2 GLU 16 2HG GLU 16 10.467 -11.061 1.092 153 HG3 GLU 16 3HG GLU 16 10.924 -9.914 -0.168 154 H GLU 17 H GLU 17 11.297 -6.158 2.357 155 HA GLU 17 HA GLU 17 11.464 -6.049 5.172 156 HB2 GLU 17 2HB GLU 17 11.635 -3.821 3.101 157 HB3 GLU 17 3HB GLU 17 11.951 -3.577 4.809 158 HG2 GLU 17 2HG GLU 17 13.548 -5.215 2.846 159 HG3 GLU 17 3HG GLU 17 14.057 -3.785 3.736 160 H ALA 18 H ALA 18 9.198 -4.550 2.891 161 HA ALA 18 HA ALA 18 7.577 -3.181 4.745 162 HB1 ALA 18 3HB ALA 18 6.871 -4.275 2.005 163 HB2 ALA 18 1HB ALA 18 7.581 -2.697 2.342 164 HB3 ALA 18 2HB ALA 18 5.945 -3.063 2.895 165 H ARG 19 H ARG 19 7.202 -6.426 3.267 166 HA ARG 19 HA ARG 19 4.719 -7.075 4.406 167 HB2 ARG 19 2HB ARG 19 5.523 -8.352 2.509 168 HB3 ARG 19 3HB ARG 19 6.921 -8.931 3.415 169 HG2 ARG 19 2HG ARG 19 5.471 -10.252 4.884 170 HG3 ARG 19 3HG ARG 19 4.033 -9.596 4.101 171 HD2 ARG 19 2HD ARG 19 4.675 -11.932 3.392 172 HD3 ARG 19 3HD ARG 19 4.490 -10.776 2.075 173 HE ARG 19 HE ARG 19 6.725 -10.952 1.593 174 HH11 ARG 19 1HH1 ARG 19 6.166 -12.576 4.666 175 HH12 ARG 19 2HH1 ARG 19 7.746 -13.295 4.695 176 HH21 ARG 19 1HH2 ARG 19 8.777 -11.875 1.663 177 HH22 ARG 19 2HH2 ARG 19 9.227 -12.897 2.997 178 H LYS 20 H LYS 20 8.021 -7.703 5.608 179 HA LYS 20 HA LYS 20 7.390 -9.292 7.841 180 HB2 LYS 20 2HB LYS 20 9.692 -7.347 7.425 181 HB3 LYS 20 3HB LYS 20 9.555 -8.353 8.866 182 HG2 LYS 20 2HG LYS 20 9.624 -10.382 7.443 183 HG3 LYS 20 3HG LYS 20 9.819 -9.365 6.014 184 HD2 LYS 20 2HD LYS 20 11.758 -9.575 8.352 185 HD3 LYS 20 3HD LYS 20 11.991 -10.261 6.745 186 HE2 LYS 20 2HE LYS 20 12.023 -7.978 5.785 187 HE3 LYS 20 3HE LYS 20 11.807 -7.301 7.399 188 HZ1 LYS 20 3HZ LYS 20 14.119 -8.937 6.511 189 HZ2 LYS 20 1HZ LYS 20 13.924 -8.260 8.051 190 HZ3 LYS 20 2HZ LYS 20 14.119 -7.258 6.698 191 H MET 21 H MET 21 7.444 -5.781 7.469 192 HA MET 21 HA MET 21 6.891 -5.140 10.193 193 HB2 MET 21 2HB MET 21 6.772 -3.585 7.598 194 HB3 MET 21 3HB MET 21 6.159 -2.870 9.086 195 HG2 MET 21 2HG MET 21 8.981 -3.820 8.573 196 HG3 MET 21 3HG MET 21 8.432 -2.155 8.739 197 HE1 MET 21 3HE MET 21 7.297 -2.224 12.583 198 HE2 MET 21 1HE MET 21 6.273 -2.744 11.243 199 HE3 MET 21 2HE MET 21 7.251 -1.281 11.096 200 H ALA 22 H ALA 22 4.827 -5.710 7.375 201 HA ALA 22 HA ALA 22 2.362 -5.048 8.627 202 HB1 ALA 22 3HB ALA 22 1.329 -6.258 6.750 203 HB2 ALA 22 1HB ALA 22 2.901 -6.941 6.313 204 HB3 ALA 22 2HB ALA 22 2.625 -5.203 6.184 205 H GLU 23 H GLU 23 4.296 -8.017 8.495 206 HA GLU 23 HA GLU 23 2.400 -9.770 9.730 207 HB2 GLU 23 2HB GLU 23 5.437 -9.975 9.462 208 HB3 GLU 23 3HB GLU 23 4.395 -11.287 10.006 209 HG2 GLU 23 2HG GLU 23 3.335 -11.448 7.846 210 HG3 GLU 23 3HG GLU 23 4.123 -9.978 7.282 211 H LYS 24 H LYS 24 5.022 -7.697 10.935 212 HA LYS 24 HA LYS 24 4.920 -8.427 13.691 213 HB2 LYS 24 2HB LYS 24 5.819 -5.831 12.357 214 HB3 LYS 24 3HB LYS 24 6.050 -6.183 14.068 215 HG2 LYS 24 2HG LYS 24 7.553 -8.026 13.535 216 HG3 LYS 24 3HG LYS 24 7.243 -7.821 11.810 217 HD2 LYS 24 2HD LYS 24 8.237 -5.526 11.936 218 HD3 LYS 24 3HD LYS 24 8.614 -5.804 13.639 219 HE2 LYS 24 2HE LYS 24 9.706 -7.409 11.301 220 HE3 LYS 24 3HE LYS 24 10.579 -6.159 12.183 221 HZ1 LYS 24 3HZ LYS 24 11.186 -8.372 12.928 222 HZ2 LYS 24 1HZ LYS 24 9.584 -8.705 13.342 223 HZ3 LYS 24 2HZ LYS 24 10.440 -7.515 14.176 224 H ALA 25 H ALA 25 3.295 -5.952 11.757 225 HA ALA 25 HA ALA 25 1.864 -4.798 14.027 226 HB1 ALA 25 3HB ALA 25 1.797 -4.076 11.070 227 HB2 ALA 25 1HB ALA 25 2.810 -3.318 12.301 228 HB3 ALA 25 2HB ALA 25 1.055 -3.151 12.378 229 H ASN 26 H ASN 26 1.383 -7.484 12.144 230 HA ASN 26 HA ASN 26 -0.286 -8.992 11.937 231 HB2 ASN 26 2HB ASN 26 -0.764 -8.379 14.326 232 HB3 ASN 26 3HB ASN 26 -1.900 -7.166 13.772 233 HD21 ASN 26 1HD2 ASN 26 -1.551 -10.459 12.451 234 HD22 ASN 26 2HD2 ASN 26 -3.106 -10.994 12.966 235 H LEU 27 H LEU 27 -0.205 -6.242 10.405 236 HA LEU 27 HA LEU 27 -2.902 -5.956 9.348 237 HB2 LEU 27 2HB LEU 27 -0.332 -4.579 8.457 238 HB3 LEU 27 3HB LEU 27 -1.974 -4.095 8.053 239 HG LEU 27 HG LEU 27 -0.662 -3.945 10.790 240 HD11 LEU 27 1HD1 LEU 27 0.103 -2.180 9.312 241 HD12 LEU 27 2HD1 LEU 27 -0.950 -1.507 10.552 242 HD13 LEU 27 3HD1 LEU 27 -1.562 -1.739 8.913 243 HD21 LEU 27 3HD2 LEU 27 -3.524 -3.272 10.045 244 HD22 LEU 27 1HD2 LEU 27 -2.749 -2.857 11.577 245 HD23 LEU 27 2HD2 LEU 27 -2.980 -4.546 11.138 246 H GLU 28 H GLU 28 -3.462 -6.272 7.146 247 HA GLU 28 HA GLU 28 -2.109 -8.492 5.827 248 HB2 GLU 28 2HB GLU 28 -4.723 -7.025 5.265 249 HB3 GLU 28 3HB GLU 28 -4.121 -8.334 4.255 250 HG2 GLU 28 2HG GLU 28 -4.817 -8.563 7.198 251 HG3 GLU 28 3HG GLU 28 -5.833 -9.102 5.860 252 H LEU 29 H LEU 29 -0.672 -8.226 4.245 253 HA LEU 29 HA LEU 29 -0.547 -5.671 2.729 254 HB2 LEU 29 2HB LEU 29 1.408 -5.977 4.171 255 HB3 LEU 29 3HB LEU 29 1.714 -7.562 3.498 256 HG LEU 29 HG LEU 29 1.722 -5.308 1.506 257 HD11 LEU 29 1HD1 LEU 29 3.988 -5.551 3.501 258 HD12 LEU 29 2HD1 LEU 29 2.852 -4.210 3.376 259 HD13 LEU 29 3HD1 LEU 29 3.969 -4.536 2.056 260 HD21 LEU 29 3HD2 LEU 29 3.614 -7.651 1.945 261 HD22 LEU 29 1HD2 LEU 29 3.670 -6.517 0.592 262 HD23 LEU 29 2HD2 LEU 29 2.285 -7.585 0.785 263 H ARG 30 H ARG 30 -0.835 -5.836 0.573 264 HA ARG 30 HA ARG 30 -0.733 -8.517 -0.716 265 HB2 ARG 30 2HB ARG 30 -2.410 -6.148 -1.655 266 HB3 ARG 30 3HB ARG 30 -2.424 -7.768 -2.320 267 HG2 ARG 30 2HG ARG 30 -3.423 -7.021 0.444 268 HG3 ARG 30 3HG ARG 30 -4.444 -7.191 -0.980 269 HD2 ARG 30 2HD ARG 30 -4.735 -9.238 0.111 270 HD3 ARG 30 3HD ARG 30 -3.493 -9.629 -1.075 271 HE ARG 30 HE ARG 30 -1.850 -9.569 0.690 272 HH11 ARG 30 1HH1 ARG 30 -5.182 -9.636 1.824 273 HH12 ARG 30 2HH1 ARG 30 -4.748 -10.210 3.406 274 HH21 ARG 30 1HH2 ARG 30 -1.303 -10.229 2.797 275 HH22 ARG 30 2HH2 ARG 30 -2.570 -10.543 3.952 276 H THR 31 H THR 31 0.765 -8.674 -2.337 277 HA THR 31 HA THR 31 2.375 -6.380 -3.129 278 HB THR 31 HB THR 31 3.596 -8.106 -4.558 279 HG1 THR 31 HG1 THR 31 1.812 -9.559 -4.785 280 HG21 THR 31 3HG2 THR 31 4.379 -7.591 -2.271 281 HG22 THR 31 1HG2 THR 31 4.631 -9.295 -2.663 282 HG23 THR 31 2HG2 THR 31 3.292 -8.819 -1.619 283 H VAL 32 H VAL 32 2.252 -5.337 -5.073 284 HA VAL 32 HA VAL 32 -0.008 -6.020 -6.860 285 HB VAL 32 HB VAL 32 1.129 -3.256 -6.223 286 HG11 VAL 32 1HG1 VAL 32 -0.880 -2.385 -7.343 287 HG12 VAL 32 2HG1 VAL 32 -1.387 -4.029 -7.735 288 HG13 VAL 32 3HG1 VAL 32 0.092 -3.370 -8.438 289 HG21 VAL 32 3HG2 VAL 32 -1.422 -4.513 -5.135 290 HG22 VAL 32 1HG2 VAL 32 -0.883 -2.855 -4.857 291 HG23 VAL 32 2HG2 VAL 32 0.052 -4.205 -4.214 292 H LYS 33 H LYS 33 0.549 -6.473 -8.902 293 HA LYS 33 HA LYS 33 3.245 -6.025 -9.912 294 HB2 LYS 33 2HB LYS 33 0.814 -7.461 -11.050 295 HB3 LYS 33 3HB LYS 33 2.298 -7.274 -11.967 296 HG2 LYS 33 2HG LYS 33 2.453 -8.573 -9.250 297 HG3 LYS 33 3HG LYS 33 1.770 -9.492 -10.587 298 HD2 LYS 33 2HD LYS 33 4.119 -10.048 -10.391 299 HD3 LYS 33 3HD LYS 33 3.887 -9.137 -11.880 300 HE2 LYS 33 2HE LYS 33 4.728 -7.100 -10.700 301 HE3 LYS 33 3HE LYS 33 5.046 -8.091 -9.276 302 HZ1 LYS 33 3HZ LYS 33 6.258 -8.565 -11.946 303 HZ2 LYS 33 1HZ LYS 33 6.648 -9.353 -10.504 304 HZ3 LYS 33 2HZ LYS 33 7.011 -7.717 -10.700 305 H THR 34 H THR 34 -0.076 -5.090 -10.841 306 HA THR 34 HA THR 34 0.932 -2.750 -12.341 307 HB THR 34 HB THR 34 -0.834 -3.207 -14.113 308 HG1 THR 34 HG1 THR 34 -1.672 -5.351 -14.198 309 HG21 THR 34 3HG2 THR 34 1.278 -5.375 -13.863 310 HG22 THR 34 1HG2 THR 34 1.517 -3.784 -14.592 311 HG23 THR 34 2HG2 THR 34 0.415 -4.943 -15.341 312 H GLU 35 H GLU 35 -0.995 -1.321 -12.978 313 HA GLU 35 HA GLU 35 -2.427 -0.488 -10.707 314 HB2 GLU 35 2HB GLU 35 -3.541 1.131 -12.116 315 HB3 GLU 35 3HB GLU 35 -1.859 1.043 -12.581 316 HG2 GLU 35 2HG GLU 35 -4.113 -0.296 -14.087 317 HG3 GLU 35 3HG GLU 35 -3.484 1.301 -14.469 318 H ASP 36 H ASP 36 -3.271 -2.695 -13.295 319 HA ASP 36 HA ASP 36 -6.065 -2.902 -12.832 320 HB2 ASP 36 2HB ASP 36 -4.926 -3.649 -14.919 321 HB3 ASP 36 3HB ASP 36 -4.156 -4.957 -14.029 322 H GLU 37 H GLU 37 -3.260 -4.629 -11.507 323 HA GLU 37 HA GLU 37 -4.650 -6.443 -9.825 324 HB2 GLU 37 2HB GLU 37 -1.886 -5.210 -9.459 325 HB3 GLU 37 3HB GLU 37 -2.492 -6.623 -8.603 326 HG2 GLU 37 2HG GLU 37 -2.142 -6.489 -11.608 327 HG3 GLU 37 3HG GLU 37 -0.917 -7.105 -10.505 328 H LEU 38 H LEU 38 -3.398 -3.152 -9.342 329 HA LEU 38 HA LEU 38 -3.875 -2.854 -6.582 330 HB2 LEU 38 2HB LEU 38 -2.477 -1.405 -8.213 331 HB3 LEU 38 3HB LEU 38 -3.969 -0.606 -8.645 332 HG LEU 38 HG LEU 38 -2.483 0.641 -7.013 333 HD11 LEU 38 1HD1 LEU 38 -4.243 1.444 -5.535 334 HD12 LEU 38 2HD1 LEU 38 -5.254 0.062 -5.955 335 HD13 LEU 38 3HD1 LEU 38 -4.833 1.253 -7.183 336 HD21 LEU 38 3HD2 LEU 38 -3.316 -1.498 -5.030 337 HD22 LEU 38 1HD2 LEU 38 -2.424 -0.020 -4.656 338 HD23 LEU 38 2HD2 LEU 38 -1.692 -1.255 -5.676 339 H LYS 39 H LYS 39 -5.906 -2.297 -9.404 340 HA LYS 39 HA LYS 39 -8.158 -1.100 -8.196 341 HB2 LYS 39 2HB LYS 39 -7.837 -2.709 -10.759 342 HB3 LYS 39 3HB LYS 39 -9.362 -1.958 -10.298 343 HG2 LYS 39 2HG LYS 39 -8.436 0.244 -10.467 344 HG3 LYS 39 3HG LYS 39 -6.799 -0.386 -10.603 345 HD2 LYS 39 2HD LYS 39 -7.510 0.357 -12.788 346 HD3 LYS 39 3HD LYS 39 -7.412 -1.401 -12.815 347 HE2 LYS 39 2HE LYS 39 -10.011 0.109 -12.406 348 HE3 LYS 39 3HE LYS 39 -9.414 -0.371 -13.991 349 HZ1 LYS 39 3HZ LYS 39 -10.962 -1.980 -13.257 350 HZ2 LYS 39 1HZ LYS 39 -10.195 -2.164 -11.763 351 HZ3 LYS 39 2HZ LYS 39 -9.436 -2.695 -13.177 352 H LYS 40 H LYS 40 -7.450 -4.556 -8.939 353 HA LYS 40 HA LYS 40 -10.032 -5.483 -8.169 354 HB2 LYS 40 2HB LYS 40 -9.260 -7.700 -8.535 355 HB3 LYS 40 3HB LYS 40 -8.375 -6.717 -9.694 356 HG2 LYS 40 2HG LYS 40 -6.417 -6.739 -8.126 357 HG3 LYS 40 3HG LYS 40 -7.308 -7.850 -7.089 358 HD2 LYS 40 2HD LYS 40 -7.380 -9.496 -8.964 359 HD3 LYS 40 3HD LYS 40 -6.446 -8.375 -9.961 360 HE2 LYS 40 2HE LYS 40 -4.599 -8.480 -8.281 361 HE3 LYS 40 3HE LYS 40 -5.522 -9.686 -7.380 362 HZ1 LYS 40 3HZ LYS 40 -5.393 -11.166 -9.250 363 HZ2 LYS 40 1HZ LYS 40 -3.834 -10.648 -8.848 364 HZ3 LYS 40 2HZ LYS 40 -4.619 -9.988 -10.190 365 H TYR 41 H TYR 41 -6.975 -5.083 -6.393 366 HA TYR 41 HA TYR 41 -7.776 -6.344 -3.977 367 HB2 TYR 41 2HB TYR 41 -5.780 -4.065 -4.363 368 HB3 TYR 41 3HB TYR 41 -5.966 -4.999 -2.880 369 HD1 TYR 41 HD1 TYR 41 -6.186 -7.782 -3.825 370 HD2 TYR 41 HD2 TYR 41 -3.647 -4.644 -5.243 371 HE1 TYR 41 HE1 TYR 41 -4.585 -9.449 -4.664 372 HE2 TYR 41 HE2 TYR 41 -2.056 -6.320 -6.082 373 HH TYR 41 HH TYR 41 -1.447 -8.594 -5.824 374 H LEU 42 H LEU 42 -7.915 -2.925 -5.019 375 HA LEU 42 HA LEU 42 -9.173 -1.890 -2.739 376 HB2 LEU 42 2HB LEU 42 -9.178 -0.888 -5.606 377 HB3 LEU 42 3HB LEU 42 -9.932 -0.002 -4.293 378 HG LEU 42 HG LEU 42 -6.960 -0.587 -4.628 379 HD11 LEU 42 1HD1 LEU 42 -7.805 1.243 -6.020 380 HD12 LEU 42 2HD1 LEU 42 -6.745 1.860 -4.757 381 HD13 LEU 42 3HD1 LEU 42 -8.496 2.034 -4.600 382 HD21 LEU 42 3HD2 LEU 42 -8.320 0.771 -2.266 383 HD22 LEU 42 1HD2 LEU 42 -6.578 0.684 -2.542 384 HD23 LEU 42 2HD2 LEU 42 -7.494 -0.789 -2.240 385 H GLU 43 H GLU 43 -10.609 -3.356 -5.665 386 HA GLU 43 HA GLU 43 -13.323 -2.872 -5.236 387 HB2 GLU 43 2HB GLU 43 -11.838 -5.151 -6.561 388 HB3 GLU 43 3HB GLU 43 -13.573 -5.301 -6.334 389 HG2 GLU 43 2HG GLU 43 -12.234 -3.030 -7.826 390 HG3 GLU 43 3HG GLU 43 -12.907 -4.468 -8.587 391 H GLU 44 H GLU 44 -11.284 -5.452 -3.918 392 HA GLU 44 HA GLU 44 -13.312 -6.801 -2.442 393 HB2 GLU 44 2HB GLU 44 -11.134 -7.821 -3.147 394 HB3 GLU 44 3HB GLU 44 -10.291 -6.782 -2.003 395 HG2 GLU 44 2HG GLU 44 -11.566 -7.877 -0.147 396 HG3 GLU 44 3HG GLU 44 -12.296 -8.960 -1.333 397 H PHE 45 H PHE 45 -11.035 -4.186 -1.647 398 HA PHE 45 HA PHE 45 -11.751 -3.986 1.112 399 HB2 PHE 45 2HB PHE 45 -10.409 -1.937 -0.692 400 HB3 PHE 45 3HB PHE 45 -10.490 -1.846 1.064 401 HD1 PHE 45 HD2 PHE 45 -9.936 -4.775 1.729 402 HD2 PHE 45 HD1 PHE 45 -8.063 -2.087 -1.027 403 HE1 PHE 45 HE2 PHE 45 -7.851 -6.079 1.858 404 HE2 PHE 45 HE1 PHE 45 -6.007 -3.396 -0.888 405 HZ PHE 45 HZ PHE 45 -5.881 -5.394 0.548 406 H ARG 46 H ARG 46 -13.244 -2.756 -1.791 407 HA ARG 46 HA ARG 46 -14.710 -0.605 -0.604 408 HB2 ARG 46 2HB ARG 46 -15.256 -2.178 -3.155 409 HB3 ARG 46 3HB ARG 46 -16.199 -0.775 -2.648 410 HG2 ARG 46 2HG ARG 46 -14.154 0.619 -2.731 411 HG3 ARG 46 3HG ARG 46 -13.237 -0.779 -3.279 412 HD2 ARG 46 2HD ARG 46 -13.738 0.548 -5.200 413 HD3 ARG 46 3HD ARG 46 -14.757 -0.893 -5.287 414 HE ARG 46 HE ARG 46 -16.038 1.346 -4.013 415 HH11 ARG 46 1HH1 ARG 46 -15.399 -0.126 -7.147 416 HH12 ARG 46 2HH1 ARG 46 -16.749 0.664 -7.907 417 HH21 ARG 46 1HH2 ARG 46 -17.759 2.376 -5.023 418 HH22 ARG 46 2HH2 ARG 46 -18.082 2.080 -6.704 419 H LYS 47 H LYS 47 -15.227 -4.059 -0.857 420 HA LYS 47 HA LYS 47 -17.882 -4.442 -0.152 421 HB2 LYS 47 2HB LYS 47 -15.444 -5.992 0.844 422 HB3 LYS 47 3HB LYS 47 -17.106 -6.555 0.995 423 HG2 LYS 47 2HG LYS 47 -17.317 -6.720 -1.428 424 HG3 LYS 47 3HG LYS 47 -15.703 -6.034 -1.643 425 HD2 LYS 47 2HD LYS 47 -15.698 -8.503 -1.909 426 HD3 LYS 47 3HD LYS 47 -14.685 -7.982 -0.564 427 HE2 LYS 47 2HE LYS 47 -15.998 -9.990 0.009 428 HE3 LYS 47 3HE LYS 47 -16.443 -8.627 1.033 429 HZ1 LYS 47 3HZ LYS 47 -18.379 -8.275 -0.420 430 HZ2 LYS 47 1HZ LYS 47 -18.396 -9.793 0.319 431 HZ3 LYS 47 2HZ LYS 47 -17.962 -9.652 -1.304 432 H GLU 48 H GLU 48 -15.209 -3.387 1.804 433 HA GLU 48 HA GLU 48 -16.866 -3.079 4.234 434 HB2 GLU 48 2HB GLU 48 -14.903 -3.959 5.532 435 HB3 GLU 48 3HB GLU 48 -15.606 -5.160 4.453 436 HG2 GLU 48 2HG GLU 48 -13.744 -4.402 2.767 437 HG3 GLU 48 3HG GLU 48 -12.974 -3.700 4.189 438 H SER 49 H SER 49 -16.142 -1.152 2.200 439 HA SER 49 HA SER 49 -13.882 0.406 2.882 440 HB2 SER 49 2HB SER 49 -15.015 2.196 1.485 441 HB3 SER 49 3HB SER 49 -14.846 0.631 0.692 442 HG SER 49 HG SER 49 -16.904 1.134 0.311 443 H GLN 50 H GLN 50 -16.802 0.120 4.640 444 HA GLN 50 HA GLN 50 -16.766 2.610 6.017 445 HB2 GLN 50 2HB GLN 50 -18.080 1.378 7.795 446 HB3 GLN 50 3HB GLN 50 -18.752 1.297 6.181 447 HG2 GLN 50 2HG GLN 50 -19.080 -0.869 6.882 448 HG3 GLN 50 3HG GLN 50 -17.525 -1.034 6.074 449 HE21 GLN 50 1HE2 GLN 50 -15.720 -1.591 7.317 450 HE22 GLN 50 2HE2 GLN 50 -15.835 -2.061 8.979 451 H ASN 51 H ASN 51 -15.504 3.365 7.656 452 HA ASN 51 HA ASN 51 -13.767 3.620 9.102 453 HB2 ASN 51 2HB ASN 51 -14.822 0.897 9.969 454 HB3 ASN 51 3HB ASN 51 -13.562 1.740 10.867 455 HD21 ASN 51 1HD2 ASN 51 -16.229 1.006 11.771 456 HD22 ASN 51 2HD2 ASN 51 -17.006 2.481 12.229 457 H ILE 52 H ILE 52 -12.948 2.646 6.518 458 HA ILE 52 HA ILE 52 -10.754 0.756 7.126 459 HB ILE 52 HB ILE 52 -12.499 0.211 5.267 460 HG12 ILE 52 2HG1 ILE 52 -9.543 0.112 4.497 461 HG13 ILE 52 3HG1 ILE 52 -10.309 -1.001 5.623 462 HG21 ILE 52 1HG2 ILE 52 -12.054 1.111 3.014 463 HG22 ILE 52 2HG2 ILE 52 -10.811 2.178 3.665 464 HG23 ILE 52 3HG2 ILE 52 -12.499 2.411 4.121 465 HD11 ILE 52 3HD1 ILE 52 -10.049 -2.004 3.446 466 HD12 ILE 52 1HD1 ILE 52 -10.976 -0.703 2.698 467 HD13 ILE 52 2HD1 ILE 52 -11.759 -1.813 3.827 468 H LYS 53 H LYS 53 -8.697 1.166 6.420 469 HA LYS 53 HA LYS 53 -8.010 3.669 5.055 470 HB2 LYS 53 2HB LYS 53 -6.823 2.571 7.637 471 HB3 LYS 53 3HB LYS 53 -5.882 3.601 6.572 472 HG2 LYS 53 2HG LYS 53 -7.335 5.468 6.923 473 HG3 LYS 53 3HG LYS 53 -8.530 4.463 7.751 474 HD2 LYS 53 2HD LYS 53 -7.124 5.890 9.282 475 HD3 LYS 53 3HD LYS 53 -7.092 4.166 9.656 476 HE2 LYS 53 2HE LYS 53 -4.851 5.090 9.851 477 HE3 LYS 53 3HE LYS 53 -4.900 3.995 8.469 478 HZ1 LYS 53 3HZ LYS 53 -5.243 6.007 7.065 479 HZ2 LYS 53 1HZ LYS 53 -3.737 5.941 7.831 480 HZ3 LYS 53 2HZ LYS 53 -4.946 6.954 8.433 481 H VAL 54 H VAL 54 -6.663 3.227 3.403 482 HA VAL 54 HA VAL 54 -5.126 0.680 3.376 483 HB VAL 54 HB VAL 54 -6.212 2.224 0.970 484 HG11 VAL 54 1HG1 VAL 54 -4.649 -0.379 1.017 485 HG12 VAL 54 2HG1 VAL 54 -4.056 1.176 0.430 486 HG13 VAL 54 3HG1 VAL 54 -5.373 0.359 -0.415 487 HG21 VAL 54 3HG2 VAL 54 -7.994 1.013 2.172 488 HG22 VAL 54 1HG2 VAL 54 -7.060 -0.483 2.069 489 HG23 VAL 54 2HG2 VAL 54 -7.687 0.269 0.599 490 H LEU 55 H LEU 55 -2.937 0.830 2.994 491 HA LEU 55 HA LEU 55 -1.735 3.498 2.432 492 HB2 LEU 55 2HB LEU 55 -1.227 2.743 4.717 493 HB3 LEU 55 3HB LEU 55 -0.684 1.187 4.112 494 HG LEU 55 HG LEU 55 1.174 2.448 2.871 495 HD11 LEU 55 1HD1 LEU 55 0.245 4.699 2.922 496 HD12 LEU 55 2HD1 LEU 55 1.833 4.649 3.681 497 HD13 LEU 55 3HD1 LEU 55 0.382 4.736 4.682 498 HD21 LEU 55 3HD2 LEU 55 1.594 1.135 4.878 499 HD22 LEU 55 1HD2 LEU 55 1.221 2.533 5.890 500 HD23 LEU 55 2HD2 LEU 55 2.623 2.562 4.819 501 H ILE 56 H ILE 56 -0.919 3.507 0.414 502 HA ILE 56 HA ILE 56 -0.016 0.980 -0.840 503 HB ILE 56 HB ILE 56 -0.831 3.601 -2.204 504 HG12 ILE 56 2HG1 ILE 56 -2.352 0.948 -2.062 505 HG13 ILE 56 3HG1 ILE 56 -2.757 2.375 -1.121 506 HG21 ILE 56 1HG2 ILE 56 0.847 2.365 -3.513 507 HG22 ILE 56 2HG2 ILE 56 -0.723 2.265 -4.308 508 HG23 ILE 56 3HG2 ILE 56 -0.113 0.888 -3.394 509 HD11 ILE 56 3HD1 ILE 56 -4.234 2.115 -3.008 510 HD12 ILE 56 1HD1 ILE 56 -2.867 2.145 -4.122 511 HD13 ILE 56 2HD1 ILE 56 -3.273 3.583 -3.180 512 H LEU 57 H LEU 57 2.156 0.743 -0.787 513 HA LEU 57 HA LEU 57 3.950 3.098 -0.720 514 HB2 LEU 57 2HB LEU 57 4.605 0.154 -0.216 515 HB3 LEU 57 3HB LEU 57 5.766 1.467 -0.172 516 HG LEU 57 HG LEU 57 5.327 0.945 2.088 517 HD11 LEU 57 1HD1 LEU 57 5.379 3.355 1.696 518 HD12 LEU 57 2HD1 LEU 57 4.319 2.956 3.045 519 HD13 LEU 57 3HD1 LEU 57 3.625 3.379 1.478 520 HD21 LEU 57 3HD2 LEU 57 3.316 -0.424 1.790 521 HD22 LEU 57 1HD2 LEU 57 2.342 1.029 1.541 522 HD23 LEU 57 2HD2 LEU 57 3.111 0.732 3.104 523 H VAL 58 H VAL 58 4.551 3.728 -2.680 524 HA VAL 58 HA VAL 58 5.153 1.746 -4.800 525 HB VAL 58 HB VAL 58 4.779 3.510 -6.439 526 HG11 VAL 58 1HG1 VAL 58 2.476 3.447 -4.450 527 HG12 VAL 58 2HG1 VAL 58 2.782 2.270 -5.729 528 HG13 VAL 58 3HG1 VAL 58 2.360 3.931 -6.146 529 HG21 VAL 58 3HG2 VAL 58 5.639 5.433 -5.148 530 HG22 VAL 58 1HG2 VAL 58 4.204 5.399 -4.119 531 HG23 VAL 58 2HG2 VAL 58 4.061 5.785 -5.833 532 H SER 59 H SER 59 6.974 2.517 -6.244 533 HA SER 59 HA SER 59 9.062 3.991 -4.739 534 HB2 SER 59 2HB SER 59 9.559 1.555 -5.002 535 HB3 SER 59 3HB SER 59 9.478 1.737 -6.753 536 HG SER 59 HG SER 59 11.298 3.040 -4.997 537 H ASN 60 H ASN 60 7.562 3.369 -7.902 538 HA ASN 60 HA ASN 60 9.004 5.526 -9.245 539 HB2 ASN 60 2HB ASN 60 6.714 3.722 -10.156 540 HB3 ASN 60 3HB ASN 60 7.423 4.973 -11.169 541 HD21 ASN 60 1HD2 ASN 60 7.807 1.772 -9.927 542 HD22 ASN 60 2HD2 ASN 60 9.260 1.396 -10.777 543 H ASP 61 H ASP 61 8.263 7.566 -9.567 544 HA ASP 61 HA ASP 61 6.181 8.707 -8.055 545 HB2 ASP 61 2HB ASP 61 6.670 10.797 -9.273 546 HB3 ASP 61 3HB ASP 61 8.156 9.985 -8.796 547 H GLU 62 H GLU 62 6.132 7.393 -11.319 548 HA GLU 62 HA GLU 62 3.623 8.557 -12.089 549 HB2 GLU 62 2HB GLU 62 5.280 7.599 -13.754 550 HB3 GLU 62 3HB GLU 62 4.835 5.985 -13.202 551 HG2 GLU 62 2HG GLU 62 2.446 6.522 -13.827 552 HG3 GLU 62 3HG GLU 62 3.027 8.025 -14.539 553 H GLU 63 H GLU 63 4.625 5.559 -10.479 554 HA GLU 63 HA GLU 63 1.998 4.431 -10.355 555 HB2 GLU 63 2HB GLU 63 4.438 3.672 -8.696 556 HB3 GLU 63 3HB GLU 63 2.937 2.758 -8.802 557 HG2 GLU 63 2HG GLU 63 5.039 3.155 -10.923 558 HG3 GLU 63 3HG GLU 63 4.421 1.646 -10.258 559 H LEU 64 H LEU 64 3.836 6.580 -8.248 560 HA LEU 64 HA LEU 64 2.176 6.730 -6.020 561 HB2 LEU 64 2HB LEU 64 4.301 7.983 -6.219 562 HB3 LEU 64 3HB LEU 64 3.616 8.985 -7.485 563 HG LEU 64 HG LEU 64 1.984 9.916 -5.783 564 HD11 LEU 64 1HD1 LEU 64 2.454 9.608 -3.387 565 HD12 LEU 64 2HD1 LEU 64 3.676 8.396 -3.779 566 HD13 LEU 64 3HD1 LEU 64 1.980 8.099 -4.164 567 HD21 LEU 64 3HD2 LEU 64 3.616 11.401 -4.676 568 HD22 LEU 64 1HD2 LEU 64 3.991 11.180 -6.385 569 HD23 LEU 64 2HD2 LEU 64 4.931 10.326 -5.158 570 H ASP 65 H ASP 65 1.980 8.620 -9.046 571 HA ASP 65 HA ASP 65 -0.476 9.895 -8.452 572 HB2 ASP 65 2HB ASP 65 1.357 10.633 -10.134 573 HB3 ASP 65 3HB ASP 65 0.624 9.497 -11.265 574 H LYS 66 H LYS 66 0.351 6.935 -10.125 575 HA LYS 66 HA LYS 66 -2.037 6.321 -11.469 576 HB2 LYS 66 2HB LYS 66 0.228 5.188 -11.743 577 HB3 LYS 66 3HB LYS 66 -0.044 4.378 -10.210 578 HG2 LYS 66 2HG LYS 66 -0.640 2.733 -11.726 579 HG3 LYS 66 3HG LYS 66 -2.204 3.450 -11.349 580 HD2 LYS 66 2HD LYS 66 -2.315 3.282 -13.669 581 HD3 LYS 66 3HD LYS 66 -1.740 4.937 -13.486 582 HE2 LYS 66 2HE LYS 66 -0.032 2.499 -14.127 583 HE3 LYS 66 3HE LYS 66 -0.514 3.750 -15.265 584 HZ1 LYS 66 3HZ LYS 66 1.356 4.015 -12.979 585 HZ2 LYS 66 1HZ LYS 66 0.756 5.341 -13.844 586 HZ3 LYS 66 2HZ LYS 66 1.698 4.179 -14.625 587 H ALA 67 H ALA 67 -0.820 5.270 -8.307 588 HA ALA 67 HA ALA 67 -3.077 3.719 -7.566 589 HB1 ALA 67 3HB ALA 67 -1.940 3.526 -5.404 590 HB2 ALA 67 1HB ALA 67 -0.830 4.829 -5.852 591 HB3 ALA 67 2HB ALA 67 -0.804 3.300 -6.732 592 H LYS 68 H LYS 68 -2.121 7.101 -6.934 593 HA LYS 68 HA LYS 68 -4.119 7.715 -5.012 594 HB2 LYS 68 2HB LYS 68 -2.666 9.509 -6.995 595 HB3 LYS 68 3HB LYS 68 -3.805 10.131 -5.807 596 HG2 LYS 68 2HG LYS 68 -2.344 9.195 -3.993 597 HG3 LYS 68 3HG LYS 68 -1.173 8.733 -5.230 598 HD2 LYS 68 2HD LYS 68 -2.087 11.563 -4.569 599 HD3 LYS 68 3HD LYS 68 -0.513 10.860 -4.198 600 HE2 LYS 68 2HE LYS 68 0.044 10.728 -6.563 601 HE3 LYS 68 3HE LYS 68 -1.577 11.256 -7.019 602 HZ1 LYS 68 3HZ LYS 68 0.504 12.859 -5.637 603 HZ2 LYS 68 1HZ LYS 68 -1.090 13.377 -5.859 604 HZ3 LYS 68 2HZ LYS 68 -0.100 13.092 -7.197 605 H GLU 69 H GLU 69 -4.065 8.078 -8.574 606 HA GLU 69 HA GLU 69 -6.589 9.262 -8.915 607 HB2 GLU 69 2HB GLU 69 -4.845 7.600 -10.754 608 HB3 GLU 69 3HB GLU 69 -6.425 8.155 -11.288 609 HG2 GLU 69 2HG GLU 69 -4.187 9.965 -10.348 610 HG3 GLU 69 3HG GLU 69 -4.562 9.615 -12.032 611 H LEU 70 H LEU 70 -5.652 5.830 -8.954 612 HA LEU 70 HA LEU 70 -8.175 4.679 -9.402 613 HB2 LEU 70 2HB LEU 70 -5.819 3.576 -7.815 614 HB3 LEU 70 3HB LEU 70 -7.197 2.624 -8.346 615 HG LEU 70 HG LEU 70 -5.173 3.977 -10.173 616 HD11 LEU 70 1HD1 LEU 70 -4.416 1.727 -10.717 617 HD12 LEU 70 2HD1 LEU 70 -5.548 1.038 -9.557 618 HD13 LEU 70 3HD1 LEU 70 -4.220 2.061 -9.002 619 HD21 LEU 70 3HD2 LEU 70 -7.533 2.210 -10.917 620 HD22 LEU 70 1HD2 LEU 70 -6.276 2.766 -12.026 621 HD23 LEU 70 2HD2 LEU 70 -7.357 3.930 -11.268 622 H ALA 71 H ALA 71 -6.458 5.281 -6.319 623 HA ALA 71 HA ALA 71 -8.273 4.300 -4.483 624 HB1 ALA 71 3HB ALA 71 -6.388 6.660 -4.167 625 HB2 ALA 71 1HB ALA 71 -5.969 4.961 -3.950 626 HB3 ALA 71 2HB ALA 71 -7.106 5.736 -2.846 627 H GLN 72 H GLN 72 -8.135 7.566 -5.855 628 HA GLN 72 HA GLN 72 -10.212 8.770 -4.353 629 HB2 GLN 72 2HB GLN 72 -9.104 9.444 -7.111 630 HB3 GLN 72 3HB GLN 72 -10.204 10.484 -6.209 631 HG2 GLN 72 2HG GLN 72 -8.546 10.816 -4.465 632 HG3 GLN 72 3HG GLN 72 -7.457 9.653 -5.226 633 HE21 GLN 72 1HE2 GLN 72 -6.427 10.235 -7.198 634 HE22 GLN 72 2HE2 GLN 72 -6.270 11.883 -7.689 635 H LYS 73 H LYS 73 -10.192 7.198 -7.576 636 HA LYS 73 HA LYS 73 -12.983 7.706 -8.103 637 HB2 LYS 73 2HB LYS 73 -11.046 5.787 -9.455 638 HB3 LYS 73 3HB LYS 73 -12.655 6.179 -10.057 639 HG2 LYS 73 2HG LYS 73 -11.966 8.557 -10.306 640 HG3 LYS 73 3HG LYS 73 -10.345 8.126 -9.750 641 HD2 LYS 73 2HD LYS 73 -10.149 6.553 -11.703 642 HD3 LYS 73 3HD LYS 73 -11.720 7.123 -12.274 643 HE2 LYS 73 2HE LYS 73 -9.993 8.283 -13.499 644 HE3 LYS 73 3HE LYS 73 -10.756 9.444 -12.412 645 HZ1 LYS 73 3HZ LYS 73 -8.893 9.123 -10.875 646 HZ2 LYS 73 1HZ LYS 73 -8.371 9.689 -12.382 647 HZ3 LYS 73 2HZ LYS 73 -8.163 8.063 -11.971 648 H MET 74 H MET 74 -11.236 5.096 -6.555 649 HA MET 74 HA MET 74 -13.474 3.235 -6.435 650 HB2 MET 74 2HB MET 74 -10.810 3.185 -4.926 651 HB3 MET 74 3HB MET 74 -11.948 1.846 -5.064 652 HG2 MET 74 2HG MET 74 -10.495 3.098 -7.401 653 HG3 MET 74 3HG MET 74 -9.959 1.652 -6.558 654 HE1 MET 74 3HE MET 74 -11.991 -0.358 -6.179 655 HE2 MET 74 1HE MET 74 -10.614 -0.664 -7.240 656 HE3 MET 74 2HE MET 74 -12.244 -1.092 -7.760 657 H GLU 75 H GLU 75 -12.528 6.039 -4.885 658 HA GLU 75 HA GLU 75 -13.287 7.305 -3.171 659 HB2 GLU 75 2HB GLU 75 -15.651 5.384 -3.289 660 HB3 GLU 75 3HB GLU 75 -15.666 6.966 -2.514 661 HG2 GLU 75 2HG GLU 75 -15.312 8.070 -4.667 662 HG3 GLU 75 3HG GLU 75 -15.169 6.510 -5.473 663 H ILE 76 H ILE 76 -11.468 5.305 -2.443 664 HA ILE 76 HA ILE 76 -12.300 4.480 0.282 665 HB ILE 76 HB ILE 76 -9.902 3.525 -1.364 666 HG12 ILE 76 2HG1 ILE 76 -12.549 2.122 -0.752 667 HG13 ILE 76 3HG1 ILE 76 -12.043 2.731 -2.325 668 HG21 ILE 76 1HG2 ILE 76 -9.456 3.415 1.068 669 HG22 ILE 76 2HG2 ILE 76 -9.611 1.797 0.388 670 HG23 ILE 76 3HG2 ILE 76 -10.943 2.495 1.310 671 HD11 ILE 76 3HD1 ILE 76 -10.217 1.097 -2.347 672 HD12 ILE 76 1HD1 ILE 76 -11.804 0.347 -2.213 673 HD13 ILE 76 2HD1 ILE 76 -10.773 0.473 -0.793 674 H ASP 77 H ASP 77 -11.200 5.277 2.052 675 HA ASP 77 HA ASP 77 -9.569 7.632 1.797 676 HB2 ASP 77 2HB ASP 77 -11.189 7.379 3.645 677 HB3 ASP 77 3HB ASP 77 -10.329 5.957 4.229 678 H VAL 78 H VAL 78 -7.485 7.452 1.165 679 HA VAL 78 HA VAL 78 -5.828 5.141 2.038 680 HB VAL 78 HB VAL 78 -5.935 6.326 -0.783 681 HG11 VAL 78 1HG1 VAL 78 -4.415 4.503 -1.455 682 HG12 VAL 78 2HG1 VAL 78 -4.287 3.980 0.227 683 HG13 VAL 78 3HG1 VAL 78 -3.662 5.557 -0.257 684 HG21 VAL 78 3HG2 VAL 78 -7.916 4.966 -0.373 685 HG22 VAL 78 1HG2 VAL 78 -6.924 3.634 0.218 686 HG23 VAL 78 2HG2 VAL 78 -6.840 4.109 -1.477 687 H ARG 79 H ARG 79 -3.674 5.536 2.382 688 HA ARG 79 HA ARG 79 -2.516 8.230 1.947 689 HB2 ARG 79 2HB ARG 79 -1.757 6.003 3.912 690 HB3 ARG 79 3HB ARG 79 -0.631 7.279 3.478 691 HG2 ARG 79 2HG ARG 79 -1.585 7.891 5.564 692 HG3 ARG 79 3HG ARG 79 -2.285 8.959 4.350 693 HD2 ARG 79 2HD ARG 79 -4.304 7.400 4.324 694 HD3 ARG 79 3HD ARG 79 -3.601 6.605 5.736 695 HE ARG 79 HE ARG 79 -3.679 8.888 6.814 696 HH11 ARG 79 1HH1 ARG 79 -5.979 7.949 4.336 697 HH12 ARG 79 2HH1 ARG 79 -7.214 9.032 4.888 698 HH21 ARG 79 1HH2 ARG 79 -5.271 10.387 7.473 699 HH22 ARG 79 2HH2 ARG 79 -6.814 10.423 6.674 700 H THR 80 H THR 80 -1.303 8.244 0.101 701 HA THR 80 HA THR 80 -0.062 5.717 -0.844 702 HB THR 80 HB THR 80 -0.809 8.131 -2.567 703 HG1 THR 80 HG1 THR 80 -2.206 5.652 -2.296 704 HG21 THR 80 3HG2 THR 80 -0.535 6.561 -4.456 705 HG22 THR 80 1HG2 THR 80 -0.071 5.276 -3.337 706 HG23 THR 80 2HG2 THR 80 0.967 6.689 -3.539 707 H ARG 81 H ARG 81 2.076 5.714 -0.532 708 HA ARG 81 HA ARG 81 3.588 8.254 -0.333 709 HB2 ARG 81 2HB ARG 81 3.870 5.696 1.305 710 HB3 ARG 81 3HB ARG 81 5.095 6.960 1.292 711 HG2 ARG 81 2HG ARG 81 2.229 7.268 2.246 712 HG3 ARG 81 3HG ARG 81 3.664 7.144 3.267 713 HD2 ARG 81 2HD ARG 81 2.967 9.405 1.361 714 HD3 ARG 81 3HD ARG 81 3.030 9.474 3.126 715 HE ARG 81 HE ARG 81 5.544 8.699 2.419 716 HH11 ARG 81 1HH1 ARG 81 3.572 11.492 1.546 717 HH12 ARG 81 2HH1 ARG 81 4.952 12.516 1.297 718 HH21 ARG 81 1HH2 ARG 81 7.322 10.053 2.043 719 HH22 ARG 81 2HH2 ARG 81 7.062 11.706 1.575 720 H LYS 82 H LYS 82 5.332 8.437 -1.569 721 HA LYS 82 HA LYS 82 6.305 6.174 -3.179 722 HB2 LYS 82 2HB LYS 82 5.710 8.292 -4.362 723 HB3 LYS 82 3HB LYS 82 6.881 9.169 -3.382 724 HG2 LYS 82 2HG LYS 82 8.682 7.665 -4.369 725 HG3 LYS 82 3HG LYS 82 7.450 7.036 -5.468 726 HD2 LYS 82 2HD LYS 82 8.746 8.780 -6.588 727 HD3 LYS 82 3HD LYS 82 7.088 9.335 -6.350 728 HE2 LYS 82 2HE LYS 82 7.796 10.670 -4.411 729 HE3 LYS 82 3HE LYS 82 9.448 10.073 -4.585 730 HZ1 LYS 82 3HZ LYS 82 9.501 11.130 -6.790 731 HZ2 LYS 82 1HZ LYS 82 9.278 12.237 -5.537 732 HZ3 LYS 82 2HZ LYS 82 7.972 11.787 -6.505 733 H VAL 83 H VAL 83 8.158 5.214 -2.598 734 HA VAL 83 HA VAL 83 9.933 6.468 -0.583 735 HB VAL 83 HB VAL 83 10.233 4.238 0.459 736 HG11 VAL 83 1HG1 VAL 83 7.301 5.052 0.284 737 HG12 VAL 83 2HG1 VAL 83 8.504 5.713 1.394 738 HG13 VAL 83 3HG1 VAL 83 8.007 4.028 1.538 739 HG21 VAL 83 3HG2 VAL 83 8.780 2.316 -0.119 740 HG22 VAL 83 1HG2 VAL 83 9.792 2.782 -1.486 741 HG23 VAL 83 2HG2 VAL 83 8.088 3.233 -1.457 742 H THR 84 H THR 84 12.114 6.288 -0.951 743 HA THR 84 HA THR 84 13.003 4.958 -3.447 744 HB THR 84 HB THR 84 15.105 6.317 -3.188 745 HG1 THR 84 HG1 THR 84 13.678 7.427 -0.981 746 HG21 THR 84 3HG2 THR 84 14.137 8.501 -3.803 747 HG22 THR 84 1HG2 THR 84 12.553 7.964 -3.245 748 HG23 THR 84 2HG2 THR 84 13.313 7.180 -4.633 749 H SER 85 H SER 85 13.240 4.826 0.012 750 HA SER 85 HA SER 85 15.277 2.675 -0.102 751 HB2 SER 85 2HB SER 85 14.558 4.482 2.255 752 HB3 SER 85 3HB SER 85 15.889 3.322 2.182 753 HG SER 85 HG SER 85 15.575 5.760 0.791 754 HA PRO 86 HA PRO 86 12.014 -0.111 1.410 755 HB2 PRO 86 2HB PRO 86 13.604 -1.866 2.905 756 HB3 PRO 86 3HB PRO 86 13.397 -1.955 1.146 757 HG2 PRO 86 2HG PRO 86 15.631 -0.714 2.708 758 HG3 PRO 86 3HG PRO 86 15.702 -1.723 1.244 759 HD2 PRO 86 2HD PRO 86 15.966 0.945 1.082 760 HD3 PRO 86 3HD PRO 86 15.079 0.045 -0.170 761 H ASP 87 H ASP 87 14.411 1.291 3.598 762 HA ASP 87 HA ASP 87 13.291 0.866 6.116 763 HB2 ASP 87 2HB ASP 87 15.546 1.832 5.763 764 HB3 ASP 87 3HB ASP 87 14.841 3.310 5.124 765 H GLU 88 H GLU 88 12.646 3.461 3.778 766 HA GLU 88 HA GLU 88 10.872 5.032 5.300 767 HB2 GLU 88 2HB GLU 88 10.980 4.647 2.279 768 HB3 GLU 88 3HB GLU 88 10.094 5.927 3.100 769 HG2 GLU 88 2HG GLU 88 12.162 6.897 3.924 770 HG3 GLU 88 3HG GLU 88 13.095 5.563 3.236 771 H ALA 89 H ALA 89 10.291 2.336 3.040 772 HA ALA 89 HA ALA 89 7.463 2.441 2.977 773 HB1 ALA 89 3HB ALA 89 9.276 0.042 2.510 774 HB2 ALA 89 1HB ALA 89 8.807 1.228 1.294 775 HB3 ALA 89 2HB ALA 89 7.587 0.176 2.011 776 H LYS 90 H LYS 90 9.746 0.623 4.987 777 HA LYS 90 HA LYS 90 7.966 -0.930 6.512 778 HB2 LYS 90 2HB LYS 90 10.660 0.233 7.359 779 HB3 LYS 90 3HB LYS 90 9.833 -1.119 8.125 780 HG2 LYS 90 2HG LYS 90 10.157 -2.501 6.154 781 HG3 LYS 90 3HG LYS 90 10.842 -1.135 5.277 782 HD2 LYS 90 2HD LYS 90 12.707 -2.457 5.981 783 HD3 LYS 90 3HD LYS 90 12.686 -1.050 7.040 784 HE2 LYS 90 2HE LYS 90 11.689 -2.367 8.833 785 HE3 LYS 90 3HE LYS 90 11.534 -3.765 7.765 786 HZ1 LYS 90 3HZ LYS 90 13.925 -3.894 7.616 787 HZ2 LYS 90 1HZ LYS 90 13.452 -3.929 9.238 788 HZ3 LYS 90 2HZ LYS 90 14.109 -2.515 8.574 789 H ARG 91 H ARG 91 9.325 2.308 6.977 790 HA ARG 91 HA ARG 91 8.405 2.746 9.592 791 HB2 ARG 91 2HB ARG 91 10.222 4.114 8.564 792 HB3 ARG 91 3HB ARG 91 9.042 4.872 7.492 793 HG2 ARG 91 2HG ARG 91 7.853 5.799 9.455 794 HG3 ARG 91 3HG ARG 91 9.001 5.006 10.525 795 HD2 ARG 91 2HD ARG 91 10.821 6.420 9.506 796 HD3 ARG 91 3HD ARG 91 9.561 7.295 8.616 797 HE ARG 91 HE ARG 91 9.209 7.100 11.503 798 HH11 ARG 91 1HH1 ARG 91 10.354 9.180 8.892 799 HH12 ARG 91 2HH1 ARG 91 10.282 10.613 9.867 800 HH21 ARG 91 1HH2 ARG 91 9.124 8.976 12.742 801 HH22 ARG 91 2HH2 ARG 91 9.586 10.497 12.046 802 H TRP 92 H TRP 92 7.010 3.824 6.416 803 HA TRP 92 HA TRP 92 4.812 5.132 7.460 804 HB2 TRP 92 2HB TRP 92 5.057 3.694 4.785 805 HB3 TRP 92 3HB TRP 92 3.766 4.822 5.200 806 HD1 TRP 92 HD1 TRP 92 6.858 4.841 3.349 807 HE1 TRP 92 HE1 TRP 92 7.899 7.181 3.183 808 HE3 TRP 92 HE3 TRP 92 4.136 7.203 6.972 809 HZ2 TRP 92 HZ2 TRP 92 7.602 9.693 4.392 810 HZ3 TRP 92 HZ3 TRP 92 4.572 9.590 7.400 811 HH2 TRP 92 HH2 TRP 92 6.270 10.808 6.133 812 H ILE 93 H ILE 93 5.209 1.646 6.918 813 HA ILE 93 HA ILE 93 2.448 0.927 7.270 814 HB ILE 93 HB ILE 93 4.987 -0.741 7.599 815 HG12 ILE 93 2HG1 ILE 93 3.008 -0.609 5.275 816 HG13 ILE 93 3HG1 ILE 93 4.574 0.194 5.304 817 HG21 ILE 93 1HG2 ILE 93 3.146 -1.798 8.866 818 HG22 ILE 93 2HG2 ILE 93 3.545 -2.756 7.441 819 HG23 ILE 93 3HG2 ILE 93 2.107 -1.732 7.441 820 HD11 ILE 93 3HD1 ILE 93 4.663 -1.823 4.009 821 HD12 ILE 93 1HD1 ILE 93 4.105 -2.774 5.386 822 HD13 ILE 93 2HD1 ILE 93 5.683 -1.972 5.444 823 H LYS 94 H LYS 94 5.275 1.098 9.406 824 HA LYS 94 HA LYS 94 4.132 0.340 11.833 825 HB2 LYS 94 2HB LYS 94 6.557 0.602 11.417 826 HB3 LYS 94 3HB LYS 94 6.359 2.343 11.256 827 HG2 LYS 94 2HG LYS 94 5.693 2.481 13.628 828 HG3 LYS 94 3HG LYS 94 5.890 0.734 13.788 829 HD2 LYS 94 2HD LYS 94 8.084 2.747 13.145 830 HD3 LYS 94 3HD LYS 94 7.855 1.907 14.679 831 HE2 LYS 94 2HE LYS 94 8.295 -0.258 13.531 832 HE3 LYS 94 3HE LYS 94 8.569 0.615 12.023 833 HZ1 LYS 94 3HZ LYS 94 10.648 0.103 13.067 834 HZ2 LYS 94 1HZ LYS 94 10.171 0.850 14.509 835 HZ3 LYS 94 2HZ LYS 94 10.411 1.775 13.118 836 H GLU 95 H GLU 95 4.357 3.565 10.310 837 HA GLU 95 HA GLU 95 3.142 5.048 12.420 838 HB2 GLU 95 2HB GLU 95 3.483 5.755 9.469 839 HB3 GLU 95 3HB GLU 95 3.035 6.893 10.734 840 HG2 GLU 95 2HG GLU 95 5.661 5.396 10.550 841 HG3 GLU 95 3HG GLU 95 5.407 7.085 10.130 842 H PHE 96 H PHE 96 1.965 3.520 9.506 843 HA PHE 96 HA PHE 96 -0.699 4.457 9.426 844 HB2 PHE 96 2HB PHE 96 0.396 3.451 7.498 845 HB3 PHE 96 3HB PHE 96 0.643 1.941 8.359 846 HD1 PHE 96 HD1 PHE 96 -2.106 4.192 7.152 847 HD2 PHE 96 HD2 PHE 96 -0.860 0.193 7.992 848 HE1 PHE 96 HE1 PHE 96 -4.175 3.330 6.159 849 HE2 PHE 96 HE2 PHE 96 -2.940 -0.658 7.009 850 HZ PHE 96 HZ PHE 96 -4.596 0.907 6.092 851 H SER 97 H SER 97 0.832 1.680 10.946 852 HA SER 97 HA SER 97 -1.445 0.468 12.099 853 HB2 SER 97 2HB SER 97 0.668 -0.739 11.863 854 HB3 SER 97 3HB SER 97 1.500 0.425 12.891 855 HG SER 97 HG SER 97 0.319 -0.310 14.634 856 H GLU 98 H GLU 98 0.680 3.129 13.132 857 HA GLU 98 HA GLU 98 -0.574 3.335 15.752 858 HB2 GLU 98 2HB GLU 98 1.496 5.214 14.538 859 HB3 GLU 98 3HB GLU 98 1.040 5.084 16.231 860 HG2 GLU 98 2HG GLU 98 2.688 3.183 14.580 861 HG3 GLU 98 3HG GLU 98 3.129 4.004 16.068 862 H GLU 99 H GLU 99 -1.283 4.589 12.639 863 HA GLU 99 HA GLU 99 -2.291 7.169 13.274 864 HB2 GLU 99 2HB GLU 99 -2.969 5.240 11.014 865 HB3 GLU 99 3HB GLU 99 -3.758 6.798 11.166 866 HG2 GLU 99 2HG GLU 99 -1.503 7.889 11.008 867 HG3 GLU 99 3HG GLU 99 -0.823 6.300 10.667 868 H GLY 100 H GLY 100 -4.066 4.106 12.741 869 HA2 GLY 100 2HA GLY 100 -6.159 3.376 13.283 870 HA3 GLY 100 3HA GLY 100 -6.036 4.360 14.734 871 H GLY 101 H GLY 101 -7.048 6.362 14.789 872 HA2 GLY 101 2HA GLY 101 -8.929 7.089 12.663 873 HA3 GLY 101 3HA GLY 101 -8.751 7.868 14.236 874 H SER 102 H SER 102 -8.354 8.467 11.061 875 HA SER 102 HA SER 102 -6.008 10.265 11.421 876 HB2 SER 102 2HB SER 102 -6.607 8.595 8.942 877 HB3 SER 102 3HB SER 102 -5.178 9.586 9.239 878 HG SER 102 HG SER 102 -5.051 8.073 11.201 879 H LEU 103 H LEU 103 -8.978 10.683 11.443 880 HA LEU 103 HA LEU 103 -9.361 12.356 9.033 881 HB2 LEU 103 2HB LEU 103 -11.837 12.056 9.431 882 HB3 LEU 103 3HB LEU 103 -10.983 10.634 8.902 883 HG LEU 103 HG LEU 103 -12.803 10.134 10.518 884 HD11 LEU 103 1HD1 LEU 103 -11.624 8.590 12.007 885 HD12 LEU 103 2HD1 LEU 103 -10.090 9.370 11.622 886 HD13 LEU 103 3HD1 LEU 103 -10.988 8.526 10.362 887 HD21 LEU 103 3HD2 LEU 103 -11.195 11.610 12.621 888 HD22 LEU 103 1HD2 LEU 103 -12.674 10.682 12.889 889 HD23 LEU 103 2HD2 LEU 103 -12.719 12.153 11.917 890 H GLU 104 H GLU 104 -8.048 13.032 11.594 891 HA GLU 104 HA GLU 104 -9.776 14.319 13.419 892 HB2 GLU 104 2HB GLU 104 -6.830 15.011 13.192 893 HB3 GLU 104 3HB GLU 104 -7.828 14.915 14.634 894 HG2 GLU 104 2HG GLU 104 -6.692 12.633 13.006 895 HG3 GLU 104 3HG GLU 104 -6.318 13.055 14.672 896 H HIS 105 H HIS 105 -7.830 15.528 10.746 897 HA HIS 105 HA HIS 105 -9.625 17.799 10.452 898 HB2 HIS 105 2HB HIS 105 -7.867 19.496 10.316 899 HB3 HIS 105 3HB HIS 105 -7.770 18.701 11.883 900 HD1 HIS 105 HD1 HIS 105 -5.951 18.990 8.598 901 HD2 HIS 105 HD2 HIS 105 -5.349 17.372 12.379 902 HE1 HIS 105 HE1 HIS 105 -3.535 18.319 8.669 903 HE2 HIS 105 HE2 HIS 105 -3.157 17.550 11.030 904 H HIS 106 H HIS 106 -8.476 15.171 9.106 905 HA HIS 106 HA HIS 106 -7.501 16.056 6.558 906 HB2 HIS 106 2HB HIS 106 -8.338 13.390 7.673 907 HB3 HIS 106 3HB HIS 106 -8.422 13.568 5.925 908 HD1 HIS 106 HD1 HIS 106 -6.402 12.538 4.949 909 HD2 HIS 106 HD2 HIS 106 -5.532 14.609 8.431 910 HE1 HIS 106 HE1 HIS 106 -3.918 12.341 5.245 911 HE2 HIS 106 HE2 HIS 106 -3.468 13.393 7.484 912 H HIS 107 H HIS 107 -8.887 17.655 5.948 913 HA HIS 107 HA HIS 107 -11.696 17.155 5.417 914 HB2 HIS 107 2HB HIS 107 -10.961 19.356 6.305 915 HB3 HIS 107 3HB HIS 107 -9.936 19.597 4.894 916 HD1 HIS 107 HD1 HIS 107 -10.997 21.366 3.529 917 HD2 HIS 107 HD2 HIS 107 -13.826 18.731 5.064 918 HE1 HIS 107 HE1 HIS 107 -13.196 22.073 2.535 919 HE2 HIS 107 HE2 HIS 107 -14.832 20.329 3.305 920 H HIS 108 H HIS 108 -11.724 15.608 3.835 921 HA HIS 108 HA HIS 108 -10.378 15.648 1.343 922 HB2 HIS 108 2HB HIS 108 -13.039 14.402 2.166 923 HB3 HIS 108 3HB HIS 108 -12.341 14.185 0.566 924 HD1 HIS 108 HD1 HIS 108 -11.452 11.894 0.454 925 HD2 HIS 108 HD2 HIS 108 -10.687 13.636 4.148 926 HE1 HIS 108 HE1 HIS 108 -10.146 10.186 1.744 927 HE2 HIS 108 HE2 HIS 108 -9.921 11.170 4.044 928 H HIS 109 H HIS 109 -11.199 16.248 -0.713 929 HA HIS 109 HA HIS 109 -12.755 18.733 -0.722 930 HB2 HIS 109 2HB HIS 109 -11.023 17.344 -2.819 931 HB3 HIS 109 3HB HIS 109 -11.971 18.783 -3.178 932 HD1 HIS 109 HD1 HIS 109 -10.393 20.668 -3.318 933 HD2 HIS 109 HD2 HIS 109 -9.442 18.137 -0.163 934 HE1 HIS 109 HE1 HIS 109 -8.437 21.739 -2.166 935 HE2 HIS 109 HE2 HIS 109 -8.009 20.285 -0.153 936 H HIS 110 H HIS 110 -14.332 16.652 -0.049 937 HA HIS 110 HA HIS 110 -16.171 15.450 -0.395 938 HB2 HIS 110 2HB HIS 110 -17.094 17.639 -1.041 939 HB3 HIS 110 3HB HIS 110 -16.591 17.390 -2.708 940 HD1 HIS 110 HD1 HIS 110 -18.960 15.858 -0.147 941 HD2 HIS 110 HD2 HIS 110 -18.506 16.203 -4.269 942 HE1 HIS 110 HE1 HIS 110 -21.018 14.822 -1.145 943 HE2 HIS 110 HE2 HIS 110 -20.766 15.134 -3.625 Start of MODEL 12 1 H1 MET 1 1H MET 1 -9.296 -2.012 13.932 2 H2 MET 1 2H MET 1 -10.839 -2.447 13.402 3 H3 MET 1 3H MET 1 -10.653 -1.182 14.503 4 HA MET 1 HA MET 1 -11.117 -0.357 12.294 5 HB2 MET 1 2HB MET 1 -9.640 0.904 13.940 6 HB3 MET 1 3HB MET 1 -8.236 0.230 13.124 7 HG2 MET 1 2HG MET 1 -8.607 2.497 12.360 8 HG3 MET 1 3HG MET 1 -8.956 1.383 11.031 9 HE1 MET 1 3HE MET 1 -11.563 4.346 10.550 10 HE2 MET 1 1HE MET 1 -10.277 3.423 9.769 11 HE3 MET 1 2HE MET 1 -9.905 4.474 11.138 12 H LEU 2 H LEU 2 -11.115 -1.104 10.225 13 HA LEU 2 HA LEU 2 -9.462 -3.211 9.294 14 HB2 LEU 2 2HB LEU 2 -11.252 -1.274 7.766 15 HB3 LEU 2 3HB LEU 2 -10.541 -2.713 7.059 16 HG LEU 2 HG LEU 2 -12.544 -2.713 9.355 17 HD11 LEU 2 1HD1 LEU 2 -14.172 -3.563 7.734 18 HD12 LEU 2 2HD1 LEU 2 -12.993 -3.387 6.430 19 HD13 LEU 2 3HD1 LEU 2 -13.593 -1.960 7.279 20 HD21 LEU 2 3HD2 LEU 2 -11.390 -5.034 7.771 21 HD22 LEU 2 1HD2 LEU 2 -12.677 -5.144 8.977 22 HD23 LEU 2 2HD2 LEU 2 -11.059 -4.648 9.463 23 H LEU 3 H LEU 3 -7.300 -2.915 9.040 24 HA LEU 3 HA LEU 3 -6.287 -0.589 7.498 25 HB2 LEU 3 2HB LEU 3 -4.922 -2.094 9.767 26 HB3 LEU 3 3HB LEU 3 -4.203 -0.781 8.848 27 HG LEU 3 HG LEU 3 -6.588 -0.556 10.728 28 HD11 LEU 3 1HD1 LEU 3 -4.480 -0.841 11.928 29 HD12 LEU 3 2HD1 LEU 3 -5.111 0.789 12.146 30 HD13 LEU 3 3HD1 LEU 3 -3.763 0.506 11.039 31 HD21 LEU 3 3HD2 LEU 3 -6.860 0.983 8.862 32 HD22 LEU 3 1HD2 LEU 3 -5.231 1.620 9.107 33 HD23 LEU 3 2HD2 LEU 3 -6.477 1.868 10.335 34 H TYR 4 H TYR 4 -5.514 -1.180 5.593 35 HA TYR 4 HA TYR 4 -4.221 -3.815 5.182 36 HB2 TYR 4 2HB TYR 4 -6.135 -2.359 3.281 37 HB3 TYR 4 3HB TYR 4 -5.230 -3.820 2.872 38 HD1 TYR 4 HD2 TYR 4 -8.021 -2.479 4.914 39 HD2 TYR 4 HD1 TYR 4 -5.873 -5.993 3.784 40 HE1 TYR 4 HE2 TYR 4 -9.744 -3.866 5.970 41 HE2 TYR 4 HE1 TYR 4 -7.597 -7.379 4.853 42 HH TYR 4 HH TYR 4 -10.583 -6.110 5.958 43 H VAL 5 H VAL 5 -2.593 -3.852 3.551 44 HA VAL 5 HA VAL 5 -1.432 -1.224 2.793 45 HB VAL 5 HB VAL 5 0.104 -3.678 3.806 46 HG11 VAL 5 1HG1 VAL 5 1.375 -2.515 2.056 47 HG12 VAL 5 2HG1 VAL 5 2.132 -2.270 3.632 48 HG13 VAL 5 3HG1 VAL 5 1.169 -0.981 2.906 49 HG21 VAL 5 3HG2 VAL 5 0.763 -2.261 5.726 50 HG22 VAL 5 1HG2 VAL 5 -0.993 -2.455 5.649 51 HG23 VAL 5 2HG2 VAL 5 -0.246 -0.950 5.108 52 H LEU 6 H LEU 6 -1.248 -1.069 0.630 53 HA LEU 6 HA LEU 6 -0.866 -3.475 -1.056 54 HB2 LEU 6 2HB LEU 6 -1.953 -0.721 -1.799 55 HB3 LEU 6 3HB LEU 6 -1.748 -2.061 -2.915 56 HG LEU 6 HG LEU 6 -3.728 -1.859 -0.628 57 HD11 LEU 6 1HD1 LEU 6 -5.436 -2.084 -2.364 58 HD12 LEU 6 2HD1 LEU 6 -4.185 -2.136 -3.611 59 HD13 LEU 6 3HD1 LEU 6 -4.411 -0.677 -2.643 60 HD21 LEU 6 3HD2 LEU 6 -3.161 -4.284 -2.343 61 HD22 LEU 6 1HD2 LEU 6 -4.527 -4.100 -1.241 62 HD23 LEU 6 2HD2 LEU 6 -2.888 -4.118 -0.605 63 H ILE 7 H ILE 7 1.200 -3.689 -1.794 64 HA ILE 7 HA ILE 7 2.947 -1.280 -1.809 65 HB ILE 7 HB ILE 7 3.647 -2.884 -0.129 66 HG12 ILE 7 2HG1 ILE 7 5.582 -2.970 -2.486 67 HG13 ILE 7 3HG1 ILE 7 5.408 -1.623 -1.364 68 HG21 ILE 7 1HG2 ILE 7 4.369 -5.181 -0.624 69 HG22 ILE 7 2HG2 ILE 7 3.888 -4.977 -2.309 70 HG23 ILE 7 3HG2 ILE 7 2.667 -4.945 -1.036 71 HD11 ILE 7 3HD1 ILE 7 7.343 -3.000 -0.859 72 HD12 ILE 7 1HD1 ILE 7 6.308 -4.403 -0.622 73 HD13 ILE 7 2HD1 ILE 7 6.182 -3.013 0.461 74 H ILE 8 H ILE 8 3.260 -0.533 -3.818 75 HA ILE 8 HA ILE 8 3.357 -2.333 -6.134 76 HB ILE 8 HB ILE 8 3.473 0.719 -6.157 77 HG12 ILE 8 2HG1 ILE 8 1.014 -1.073 -6.354 78 HG13 ILE 8 3HG1 ILE 8 1.385 0.026 -5.035 79 HG21 ILE 8 1HG2 ILE 8 2.747 0.486 -8.512 80 HG22 ILE 8 2HG2 ILE 8 2.738 -1.270 -8.342 81 HG23 ILE 8 3HG2 ILE 8 4.259 -0.383 -8.230 82 HD11 ILE 8 3HD1 ILE 8 -0.308 0.939 -6.453 83 HD12 ILE 8 1HD1 ILE 8 0.734 0.802 -7.868 84 HD13 ILE 8 2HD1 ILE 8 1.153 1.914 -6.561 85 H SER 9 H SER 9 5.353 -3.255 -6.198 86 HA SER 9 HA SER 9 7.565 -1.647 -7.088 87 HB2 SER 9 2HB SER 9 7.893 -1.492 -4.613 88 HB3 SER 9 3HB SER 9 7.896 -3.251 -4.497 89 HG SER 9 HG SER 9 9.990 -1.908 -4.696 90 H ASN 10 H ASN 10 9.312 -2.979 -7.934 91 HA ASN 10 HA ASN 10 8.579 -5.803 -8.500 92 HB2 ASN 10 2HB ASN 10 10.069 -5.689 -10.461 93 HB3 ASN 10 3HB ASN 10 8.831 -4.448 -10.546 94 HD21 ASN 10 1HD2 ASN 10 11.578 -4.692 -11.773 95 HD22 ASN 10 2HD2 ASN 10 12.363 -3.207 -11.363 96 H ASP 11 H ASP 11 10.577 -3.891 -6.594 97 HA ASP 11 HA ASP 11 12.970 -5.549 -6.649 98 HB2 ASP 11 2HB ASP 11 13.101 -3.062 -6.321 99 HB3 ASP 11 3HB ASP 11 12.243 -3.232 -4.793 100 H LYS 12 H LYS 12 12.976 -7.416 -5.650 101 HA LYS 12 HA LYS 12 10.940 -8.424 -3.998 102 HB2 LYS 12 2HB LYS 12 13.745 -9.545 -4.453 103 HB3 LYS 12 3HB LYS 12 12.482 -10.400 -3.578 104 HG2 LYS 12 2HG LYS 12 12.397 -11.356 -5.713 105 HG3 LYS 12 3HG LYS 12 11.077 -10.188 -5.737 106 HD2 LYS 12 2HD LYS 12 12.628 -8.573 -6.906 107 HD3 LYS 12 3HD LYS 12 13.830 -9.863 -6.998 108 HE2 LYS 12 2HE LYS 12 12.651 -9.739 -9.111 109 HE3 LYS 12 3HE LYS 12 12.157 -11.227 -8.300 110 HZ1 LYS 12 3HZ LYS 12 10.282 -10.008 -9.271 111 HZ2 LYS 12 1HZ LYS 12 10.620 -8.681 -8.281 112 HZ3 LYS 12 2HZ LYS 12 10.130 -10.146 -7.595 113 H LYS 13 H LYS 13 13.933 -6.822 -3.201 114 HA LYS 13 HA LYS 13 14.213 -7.735 -0.513 115 HB2 LYS 13 2HB LYS 13 15.453 -5.394 -2.030 116 HB3 LYS 13 3HB LYS 13 15.799 -5.692 -0.331 117 HG2 LYS 13 2HG LYS 13 17.595 -6.616 -1.623 118 HG3 LYS 13 3HG LYS 13 16.668 -7.950 -0.939 119 HD2 LYS 13 2HD LYS 13 15.502 -8.154 -3.198 120 HD3 LYS 13 3HD LYS 13 16.661 -6.976 -3.819 121 HE2 LYS 13 2HE LYS 13 17.361 -9.676 -2.612 122 HE3 LYS 13 3HE LYS 13 17.340 -9.300 -4.332 123 HZ1 LYS 13 3HZ LYS 13 19.575 -9.253 -3.369 124 HZ2 LYS 13 1HZ LYS 13 19.111 -7.998 -2.337 125 HZ3 LYS 13 2HZ LYS 13 19.138 -7.753 -4.008 126 H LEU 14 H LEU 14 13.028 -4.682 -1.965 127 HA LEU 14 HA LEU 14 12.243 -3.425 0.423 128 HB2 LEU 14 2HB LEU 14 12.623 -2.331 -1.807 129 HB3 LEU 14 3HB LEU 14 11.096 -2.981 -2.364 130 HG LEU 14 HG LEU 14 11.008 -1.269 0.128 131 HD11 LEU 14 1HD1 LEU 14 10.992 0.829 -1.100 132 HD12 LEU 14 2HD1 LEU 14 11.375 -0.016 -2.602 133 HD13 LEU 14 3HD1 LEU 14 12.543 0.010 -1.277 134 HD21 LEU 14 3HD2 LEU 14 9.186 -1.439 -2.296 135 HD22 LEU 14 1HD2 LEU 14 8.894 -0.455 -0.855 136 HD23 LEU 14 2HD2 LEU 14 8.927 -2.210 -0.732 137 H ILE 15 H ILE 15 10.534 -5.596 -1.768 138 HA ILE 15 HA ILE 15 7.929 -5.366 -0.719 139 HB ILE 15 HB ILE 15 9.253 -7.635 -2.258 140 HG12 ILE 15 2HG1 ILE 15 7.317 -5.470 -3.205 141 HG13 ILE 15 3HG1 ILE 15 9.062 -5.396 -3.410 142 HG21 ILE 15 1HG2 ILE 15 6.293 -7.281 -1.663 143 HG22 ILE 15 2HG2 ILE 15 7.331 -8.567 -1.043 144 HG23 ILE 15 3HG2 ILE 15 6.975 -8.478 -2.768 145 HD11 ILE 15 3HD1 ILE 15 7.993 -6.063 -5.457 146 HD12 ILE 15 1HD1 ILE 15 7.210 -7.426 -4.654 147 HD13 ILE 15 2HD1 ILE 15 8.968 -7.393 -4.834 148 H GLU 16 H GLU 16 10.455 -7.826 -0.047 149 HA GLU 16 HA GLU 16 8.899 -9.276 1.849 150 HB2 GLU 16 2HB GLU 16 11.900 -9.333 1.371 151 HB3 GLU 16 3HB GLU 16 11.058 -10.416 2.482 152 HG2 GLU 16 2HG GLU 16 9.628 -11.143 0.495 153 HG3 GLU 16 3HG GLU 16 10.768 -10.262 -0.527 154 H GLU 17 H GLU 17 11.392 -6.749 2.286 155 HA GLU 17 HA GLU 17 11.566 -6.958 5.117 156 HB2 GLU 17 2HB GLU 17 12.210 -4.569 3.343 157 HB3 GLU 17 3HB GLU 17 12.684 -4.735 5.029 158 HG2 GLU 17 2HG GLU 17 13.662 -6.334 2.663 159 HG3 GLU 17 3HG GLU 17 14.592 -5.251 3.687 160 H ALA 18 H ALA 18 9.617 -4.879 2.979 161 HA ALA 18 HA ALA 18 8.317 -3.365 4.998 162 HB1 ALA 18 3HB ALA 18 8.371 -2.652 2.648 163 HB2 ALA 18 1HB ALA 18 6.707 -2.774 3.221 164 HB3 ALA 18 2HB ALA 18 7.380 -4.039 2.189 165 H ARG 19 H ARG 19 7.500 -6.391 3.340 166 HA ARG 19 HA ARG 19 4.919 -6.810 4.364 167 HB2 ARG 19 2HB ARG 19 6.082 -8.014 2.410 168 HB3 ARG 19 3HB ARG 19 6.856 -9.033 3.620 169 HG2 ARG 19 2HG ARG 19 4.542 -9.690 4.416 170 HG3 ARG 19 3HG ARG 19 3.887 -8.801 3.037 171 HD2 ARG 19 2HD ARG 19 4.018 -11.166 2.481 172 HD3 ARG 19 3HD ARG 19 5.196 -10.279 1.508 173 HE ARG 19 HE ARG 19 6.876 -11.437 2.536 174 HH11 ARG 19 1HH1 ARG 19 3.979 -11.837 4.502 175 HH12 ARG 19 2HH1 ARG 19 4.721 -12.985 5.565 176 HH21 ARG 19 1HH2 ARG 19 7.833 -12.896 3.963 177 HH22 ARG 19 2HH2 ARG 19 6.906 -13.587 5.258 178 H LYS 20 H LYS 20 8.087 -7.613 5.655 179 HA LYS 20 HA LYS 20 7.408 -9.239 7.852 180 HB2 LYS 20 2HB LYS 20 9.699 -7.269 7.467 181 HB3 LYS 20 3HB LYS 20 9.571 -8.304 8.887 182 HG2 LYS 20 2HG LYS 20 9.714 -10.303 7.465 183 HG3 LYS 20 3HG LYS 20 9.811 -9.283 6.026 184 HD2 LYS 20 2HD LYS 20 11.926 -8.296 6.880 185 HD3 LYS 20 3HD LYS 20 11.830 -9.337 8.305 186 HE2 LYS 20 2HE LYS 20 13.401 -10.253 6.676 187 HE3 LYS 20 3HE LYS 20 12.011 -11.327 6.844 188 HZ1 LYS 20 3HZ LYS 20 12.638 -11.041 4.537 189 HZ2 LYS 20 1HZ LYS 20 12.433 -9.365 4.652 190 HZ3 LYS 20 2HZ LYS 20 11.099 -10.393 4.806 191 H MET 21 H MET 21 7.726 -5.702 7.582 192 HA MET 21 HA MET 21 7.041 -5.125 10.290 193 HB2 MET 21 2HB MET 21 7.471 -3.472 7.816 194 HB3 MET 21 3HB MET 21 6.605 -2.721 9.150 195 HG2 MET 21 2HG MET 21 9.361 -3.952 9.327 196 HG3 MET 21 3HG MET 21 9.000 -2.231 9.237 197 HE1 MET 21 3HE MET 21 7.572 -0.944 11.136 198 HE2 MET 21 1HE MET 21 7.109 -1.683 12.670 199 HE3 MET 21 2HE MET 21 6.319 -2.187 11.177 200 H ALA 22 H ALA 22 5.139 -5.389 7.327 201 HA ALA 22 HA ALA 22 2.677 -4.490 8.302 202 HB1 ALA 22 3HB ALA 22 1.660 -5.860 6.533 203 HB2 ALA 22 1HB ALA 22 3.188 -6.720 6.304 204 HB3 ALA 22 2HB ALA 22 3.076 -4.999 5.929 205 H GLU 23 H GLU 23 4.210 -7.705 8.510 206 HA GLU 23 HA GLU 23 2.080 -8.995 9.919 207 HB2 GLU 23 2HB GLU 23 5.023 -9.736 9.674 208 HB3 GLU 23 3HB GLU 23 3.771 -10.795 10.329 209 HG2 GLU 23 2HG GLU 23 2.615 -10.824 8.176 210 HG3 GLU 23 3HG GLU 23 3.785 -9.691 7.501 211 H LYS 24 H LYS 24 4.940 -7.214 10.933 212 HA LYS 24 HA LYS 24 4.797 -7.762 13.727 213 HB2 LYS 24 2HB LYS 24 6.130 -5.533 12.141 214 HB3 LYS 24 3HB LYS 24 6.266 -5.660 13.893 215 HG2 LYS 24 2HG LYS 24 7.385 -7.823 13.705 216 HG3 LYS 24 3HG LYS 24 7.141 -7.832 11.955 217 HD2 LYS 24 2HD LYS 24 9.469 -7.212 12.648 218 HD3 LYS 24 3HD LYS 24 8.675 -5.986 11.659 219 HE2 LYS 24 2HE LYS 24 9.981 -5.054 13.587 220 HE3 LYS 24 3HE LYS 24 8.280 -4.589 13.607 221 HZ1 LYS 24 3HZ LYS 24 9.055 -5.238 15.803 222 HZ2 LYS 24 1HZ LYS 24 9.506 -6.757 15.226 223 HZ3 LYS 24 2HZ LYS 24 7.880 -6.320 15.256 224 H ALA 25 H ALA 25 3.426 -5.226 11.666 225 HA ALA 25 HA ALA 25 2.120 -3.878 13.912 226 HB1 ALA 25 3HB ALA 25 2.122 -3.231 10.940 227 HB2 ALA 25 1HB ALA 25 3.182 -2.520 12.161 228 HB3 ALA 25 2HB ALA 25 1.447 -2.219 12.220 229 H ASN 26 H ASN 26 1.447 -6.586 12.171 230 HA ASN 26 HA ASN 26 -0.326 -7.960 11.940 231 HB2 ASN 26 2HB ASN 26 -1.845 -5.976 13.686 232 HB3 ASN 26 3HB ASN 26 -2.394 -7.599 13.286 233 HD21 ASN 26 1HD2 ASN 26 -1.920 -6.468 15.904 234 HD22 ASN 26 2HD2 ASN 26 -0.717 -7.453 16.656 235 H LEU 27 H LEU 27 -0.004 -5.356 10.267 236 HA LEU 27 HA LEU 27 -2.623 -4.847 9.166 237 HB2 LEU 27 2HB LEU 27 0.079 -4.090 7.978 238 HB3 LEU 27 3HB LEU 27 -1.478 -3.341 7.647 239 HG LEU 27 HG LEU 27 0.059 -3.181 10.269 240 HD11 LEU 27 1HD1 LEU 27 1.100 -1.832 8.555 241 HD12 LEU 27 2HD1 LEU 27 0.326 -0.798 9.751 242 HD13 LEU 27 3HD1 LEU 27 -0.437 -1.053 8.177 243 HD21 LEU 27 3HD2 LEU 27 -1.641 -1.571 11.014 244 HD22 LEU 27 1HD2 LEU 27 -2.330 -3.169 10.733 245 HD23 LEU 27 2HD2 LEU 27 -2.583 -1.881 9.555 246 H GLU 28 H GLU 28 -3.485 -5.687 7.276 247 HA GLU 28 HA GLU 28 -2.325 -8.181 6.298 248 HB2 GLU 28 2HB GLU 28 -4.797 -7.806 6.946 249 HB3 GLU 28 3HB GLU 28 -4.962 -6.898 5.458 250 HG2 GLU 28 2HG GLU 28 -4.100 -9.800 5.596 251 HG3 GLU 28 3HG GLU 28 -5.766 -9.282 5.367 252 H LEU 29 H LEU 29 -1.075 -8.210 4.510 253 HA LEU 29 HA LEU 29 -0.938 -5.780 2.823 254 HB2 LEU 29 2HB LEU 29 1.039 -6.118 4.257 255 HB3 LEU 29 3HB LEU 29 1.308 -7.704 3.566 256 HG LEU 29 HG LEU 29 1.316 -5.335 1.670 257 HD11 LEU 29 1HD1 LEU 29 2.686 -4.509 3.518 258 HD12 LEU 29 2HD1 LEU 29 3.673 -4.841 2.096 259 HD13 LEU 29 3HD1 LEU 29 3.672 -5.967 3.455 260 HD21 LEU 29 3HD2 LEU 29 1.596 -7.588 0.741 261 HD22 LEU 29 1HD2 LEU 29 2.995 -7.865 1.777 262 HD23 LEU 29 2HD2 LEU 29 3.058 -6.636 0.511 263 H ARG 30 H ARG 30 -1.105 -5.971 0.692 264 HA ARG 30 HA ARG 30 -1.028 -8.608 -0.636 265 HB2 ARG 30 2HB ARG 30 -2.728 -6.191 -1.363 266 HB3 ARG 30 3HB ARG 30 -2.648 -7.677 -2.294 267 HG2 ARG 30 2HG ARG 30 -3.694 -7.458 0.547 268 HG3 ARG 30 3HG ARG 30 -4.700 -7.500 -0.904 269 HD2 ARG 30 2HD ARG 30 -3.831 -9.754 -1.441 270 HD3 ARG 30 3HD ARG 30 -2.827 -9.719 0.014 271 HE ARG 30 HE ARG 30 -4.997 -9.497 1.262 272 HH11 ARG 30 1HH1 ARG 30 -4.838 -11.203 -1.801 273 HH12 ARG 30 2HH1 ARG 30 -6.191 -12.225 -1.448 274 HH21 ARG 30 1HH2 ARG 30 -6.778 -10.839 1.728 275 HH22 ARG 30 2HH2 ARG 30 -7.293 -12.015 0.560 276 H THR 31 H THR 31 0.514 -8.757 -2.137 277 HA THR 31 HA THR 31 2.274 -6.533 -2.728 278 HB THR 31 HB THR 31 3.570 -8.287 -4.027 279 HG1 THR 31 HG1 THR 31 2.759 -10.523 -3.485 280 HG21 THR 31 3HG2 THR 31 4.062 -7.885 -1.626 281 HG22 THR 31 1HG2 THR 31 4.289 -9.584 -2.054 282 HG23 THR 31 2HG2 THR 31 2.845 -9.082 -1.175 283 H VAL 32 H VAL 32 1.859 -5.157 -4.328 284 HA VAL 32 HA VAL 32 -0.012 -5.827 -6.497 285 HB VAL 32 HB VAL 32 1.144 -3.112 -5.702 286 HG11 VAL 32 1HG1 VAL 32 -0.704 -2.159 -7.028 287 HG12 VAL 32 2HG1 VAL 32 -1.222 -3.784 -7.486 288 HG13 VAL 32 3HG1 VAL 32 0.344 -3.173 -8.024 289 HG21 VAL 32 3HG2 VAL 32 -0.992 -2.666 -4.561 290 HG22 VAL 32 1HG2 VAL 32 -0.171 -4.054 -3.843 291 HG23 VAL 32 2HG2 VAL 32 -1.542 -4.301 -4.927 292 H LYS 33 H LYS 33 0.789 -6.333 -8.458 293 HA LYS 33 HA LYS 33 3.576 -5.855 -9.171 294 HB2 LYS 33 2HB LYS 33 1.328 -7.206 -10.734 295 HB3 LYS 33 3HB LYS 33 3.033 -7.206 -11.188 296 HG2 LYS 33 2HG LYS 33 3.619 -8.519 -9.223 297 HG3 LYS 33 3HG LYS 33 1.966 -8.411 -8.609 298 HD2 LYS 33 2HD LYS 33 1.195 -9.673 -10.665 299 HD3 LYS 33 3HD LYS 33 2.889 -9.892 -11.110 300 HE2 LYS 33 2HE LYS 33 3.265 -11.135 -9.000 301 HE3 LYS 33 3HE LYS 33 1.565 -10.916 -8.575 302 HZ1 LYS 33 3HZ LYS 33 1.935 -13.091 -9.518 303 HZ2 LYS 33 1HZ LYS 33 2.602 -12.424 -10.921 304 HZ3 LYS 33 2HZ LYS 33 0.967 -12.185 -10.564 305 H THR 34 H THR 34 0.366 -5.012 -10.510 306 HA THR 34 HA THR 34 1.501 -2.618 -11.860 307 HB THR 34 HB THR 34 -0.061 -3.029 -13.775 308 HG1 THR 34 HG1 THR 34 -0.771 -5.429 -13.751 309 HG21 THR 34 3HG2 THR 34 1.135 -4.896 -14.849 310 HG22 THR 34 1HG2 THR 34 1.812 -5.379 -13.291 311 HG23 THR 34 2HG2 THR 34 2.269 -3.833 -14.013 312 H GLU 35 H GLU 35 -0.397 -1.188 -12.657 313 HA GLU 35 HA GLU 35 -2.006 -0.259 -10.557 314 HB2 GLU 35 2HB GLU 35 -3.155 1.104 -12.323 315 HB3 GLU 35 3HB GLU 35 -1.398 1.206 -12.400 316 HG2 GLU 35 2HG GLU 35 -1.364 -0.399 -14.269 317 HG3 GLU 35 3HG GLU 35 -3.120 -0.549 -14.183 318 H ASP 36 H ASP 36 -2.643 -2.594 -13.105 319 HA ASP 36 HA ASP 36 -5.434 -2.876 -12.907 320 HB2 ASP 36 2HB ASP 36 -4.046 -3.750 -14.776 321 HB3 ASP 36 3HB ASP 36 -3.309 -4.924 -13.693 322 H GLU 37 H GLU 37 -2.759 -4.436 -11.201 323 HA GLU 37 HA GLU 37 -4.336 -6.210 -9.615 324 HB2 GLU 37 2HB GLU 37 -1.497 -5.204 -9.168 325 HB3 GLU 37 3HB GLU 37 -2.237 -6.581 -8.359 326 HG2 GLU 37 2HG GLU 37 -1.607 -6.356 -11.316 327 HG3 GLU 37 3HG GLU 37 -0.750 -7.340 -10.130 328 H LEU 38 H LEU 38 -3.084 -2.937 -9.176 329 HA LEU 38 HA LEU 38 -3.621 -2.539 -6.444 330 HB2 LEU 38 2HB LEU 38 -2.273 -1.091 -8.124 331 HB3 LEU 38 3HB LEU 38 -3.804 -0.412 -8.626 332 HG LEU 38 HG LEU 38 -2.450 1.016 -7.041 333 HD11 LEU 38 1HD1 LEU 38 -5.176 0.283 -5.959 334 HD12 LEU 38 2HD1 LEU 38 -4.851 1.424 -7.267 335 HD13 LEU 38 3HD1 LEU 38 -4.277 1.771 -5.638 336 HD21 LEU 38 3HD2 LEU 38 -2.340 0.457 -4.674 337 HD22 LEU 38 1HD2 LEU 38 -1.552 -0.791 -5.636 338 HD23 LEU 38 2HD2 LEU 38 -3.161 -1.077 -4.967 339 H LYS 39 H LYS 39 -5.548 -1.924 -9.341 340 HA LYS 39 HA LYS 39 -7.942 -0.988 -8.137 341 HB2 LYS 39 2HB LYS 39 -7.433 -2.312 -10.833 342 HB3 LYS 39 3HB LYS 39 -8.956 -1.548 -10.384 343 HG2 LYS 39 2HG LYS 39 -7.966 0.625 -10.317 344 HG3 LYS 39 3HG LYS 39 -6.333 -0.041 -10.394 345 HD2 LYS 39 2HD LYS 39 -6.986 0.910 -12.569 346 HD3 LYS 39 3HD LYS 39 -6.744 -0.832 -12.694 347 HE2 LYS 39 2HE LYS 39 -9.203 -1.161 -12.590 348 HE3 LYS 39 3HE LYS 39 -9.421 0.587 -12.491 349 HZ1 LYS 39 3HZ LYS 39 -8.394 0.802 -14.665 350 HZ2 LYS 39 1HZ LYS 39 -9.740 -0.212 -14.738 351 HZ3 LYS 39 2HZ LYS 39 -8.183 -0.869 -14.770 352 H LYS 40 H LYS 40 -6.769 -4.181 -9.072 353 HA LYS 40 HA LYS 40 -9.118 -5.701 -8.864 354 HB2 LYS 40 2HB LYS 40 -7.044 -6.461 -9.967 355 HB3 LYS 40 3HB LYS 40 -6.211 -6.499 -8.419 356 HG2 LYS 40 2HG LYS 40 -7.664 -8.334 -7.667 357 HG3 LYS 40 3HG LYS 40 -8.549 -8.283 -9.190 358 HD2 LYS 40 2HD LYS 40 -5.562 -8.850 -9.036 359 HD3 LYS 40 3HD LYS 40 -6.781 -10.121 -8.959 360 HE2 LYS 40 2HE LYS 40 -5.951 -9.991 -11.226 361 HE3 LYS 40 3HE LYS 40 -7.610 -9.400 -11.213 362 HZ1 LYS 40 3HZ LYS 40 -5.196 -7.660 -11.206 363 HZ2 LYS 40 1HZ LYS 40 -6.800 -7.146 -11.346 364 HZ3 LYS 40 2HZ LYS 40 -6.088 -8.050 -12.585 365 H TYR 41 H TYR 41 -6.672 -4.858 -6.482 366 HA TYR 41 HA TYR 41 -7.818 -6.352 -4.311 367 HB2 TYR 41 2HB TYR 41 -5.772 -4.099 -4.286 368 HB3 TYR 41 3HB TYR 41 -6.191 -5.077 -2.884 369 HD1 TYR 41 HD1 TYR 41 -6.377 -7.802 -4.270 370 HD2 TYR 41 HD2 TYR 41 -3.450 -4.698 -4.545 371 HE1 TYR 41 HE1 TYR 41 -4.680 -9.454 -4.910 372 HE2 TYR 41 HE2 TYR 41 -1.755 -6.359 -5.190 373 HH TYR 41 HH TYR 41 -1.358 -8.776 -4.951 374 H LEU 42 H LEU 42 -8.012 -2.956 -5.392 375 HA LEU 42 HA LEU 42 -9.543 -1.963 -3.237 376 HB2 LEU 42 2HB LEU 42 -9.390 -1.012 -6.114 377 HB3 LEU 42 3HB LEU 42 -10.231 -0.134 -4.843 378 HG LEU 42 HG LEU 42 -7.241 -0.694 -4.944 379 HD11 LEU 42 1HD1 LEU 42 -7.944 1.010 -6.549 380 HD12 LEU 42 2HD1 LEU 42 -7.001 1.721 -5.243 381 HD13 LEU 42 3HD1 LEU 42 -8.756 1.914 -5.267 382 HD21 LEU 42 3HD2 LEU 42 -7.067 0.735 -2.940 383 HD22 LEU 42 1HD2 LEU 42 -7.995 -0.729 -2.623 384 HD23 LEU 42 2HD2 LEU 42 -8.828 0.813 -2.836 385 H GLU 43 H GLU 43 -10.575 -3.550 -6.267 386 HA GLU 43 HA GLU 43 -13.332 -3.271 -6.186 387 HB2 GLU 43 2HB GLU 43 -11.720 -5.727 -7.006 388 HB3 GLU 43 3HB GLU 43 -13.450 -5.564 -7.288 389 HG2 GLU 43 2HG GLU 43 -13.033 -3.622 -8.748 390 HG3 GLU 43 3HG GLU 43 -11.299 -3.783 -8.468 391 H GLU 44 H GLU 44 -11.279 -5.543 -4.477 392 HA GLU 44 HA GLU 44 -13.335 -7.022 -3.189 393 HB2 GLU 44 2HB GLU 44 -10.948 -7.796 -3.700 394 HB3 GLU 44 3HB GLU 44 -10.412 -6.798 -2.356 395 HG2 GLU 44 2HG GLU 44 -10.580 -9.056 -1.576 396 HG3 GLU 44 3HG GLU 44 -11.895 -8.140 -0.842 397 H PHE 45 H PHE 45 -11.157 -4.342 -2.139 398 HA PHE 45 HA PHE 45 -12.024 -4.279 0.573 399 HB2 PHE 45 2HB PHE 45 -10.616 -2.120 -1.051 400 HB3 PHE 45 3HB PHE 45 -10.811 -2.091 0.698 401 HD1 PHE 45 HD2 PHE 45 -10.231 -5.066 1.244 402 HD2 PHE 45 HD1 PHE 45 -8.226 -2.149 -1.178 403 HE1 PHE 45 HE2 PHE 45 -8.117 -6.302 1.488 404 HE2 PHE 45 HE1 PHE 45 -6.129 -3.396 -0.919 405 HZ PHE 45 HZ PHE 45 -6.063 -5.470 0.409 406 H ARG 46 H ARG 46 -13.515 -3.036 -2.248 407 HA ARG 46 HA ARG 46 -14.971 -0.830 -1.296 408 HB2 ARG 46 2HB ARG 46 -15.482 -2.865 -3.469 409 HB3 ARG 46 3HB ARG 46 -16.683 -1.627 -3.120 410 HG2 ARG 46 2HG ARG 46 -15.235 0.134 -3.787 411 HG3 ARG 46 3HG ARG 46 -13.816 -0.920 -3.793 412 HD2 ARG 46 2HD ARG 46 -14.705 -0.372 -6.082 413 HD3 ARG 46 3HD ARG 46 -14.598 -2.097 -5.743 414 HE ARG 46 HE ARG 46 -17.088 -0.492 -5.859 415 HH11 ARG 46 1HH1 ARG 46 -15.555 -3.675 -5.855 416 HH12 ARG 46 2HH1 ARG 46 -17.015 -4.500 -6.290 417 HH21 ARG 46 1HH2 ARG 46 -18.976 -1.596 -6.394 418 HH22 ARG 46 2HH2 ARG 46 -18.961 -3.320 -6.599 419 H LYS 47 H LYS 47 -15.617 -4.300 -1.020 420 HA LYS 47 HA LYS 47 -18.332 -4.274 -0.287 421 HB2 LYS 47 2HB LYS 47 -18.026 -6.572 0.332 422 HB3 LYS 47 3HB LYS 47 -16.900 -6.278 -0.988 423 HG2 LYS 47 2HG LYS 47 -15.126 -5.875 0.869 424 HG3 LYS 47 3HG LYS 47 -16.291 -6.626 1.959 425 HD2 LYS 47 2HD LYS 47 -15.053 -7.900 -0.505 426 HD3 LYS 47 3HD LYS 47 -14.635 -8.252 1.170 427 HE2 LYS 47 2HE LYS 47 -16.871 -9.187 1.557 428 HE3 LYS 47 3HE LYS 47 -17.348 -8.768 -0.093 429 HZ1 LYS 47 3HZ LYS 47 -16.732 -11.073 -0.001 430 HZ2 LYS 47 1HZ LYS 47 -15.229 -10.702 0.686 431 HZ3 LYS 47 2HZ LYS 47 -15.569 -10.235 -0.901 432 H GLU 48 H GLU 48 -15.506 -3.456 1.498 433 HA GLU 48 HA GLU 48 -16.941 -3.214 4.071 434 HB2 GLU 48 2HB GLU 48 -14.862 -4.081 5.183 435 HB3 GLU 48 3HB GLU 48 -15.636 -5.284 4.153 436 HG2 GLU 48 2HG GLU 48 -13.992 -4.804 2.355 437 HG3 GLU 48 3HG GLU 48 -13.203 -3.623 3.403 438 H SER 49 H SER 49 -16.332 -1.236 1.999 439 HA SER 49 HA SER 49 -13.971 0.220 2.644 440 HB2 SER 49 2HB SER 49 -14.952 2.012 1.162 441 HB3 SER 49 3HB SER 49 -14.851 0.420 0.411 442 HG SER 49 HG SER 49 -16.930 0.425 0.188 443 H GLN 50 H GLN 50 -16.740 -0.035 4.492 444 HA GLN 50 HA GLN 50 -16.634 2.563 5.742 445 HB2 GLN 50 2HB GLN 50 -18.096 1.549 7.469 446 HB3 GLN 50 3HB GLN 50 -18.700 1.266 5.850 447 HG2 GLN 50 2HG GLN 50 -19.080 -0.825 6.691 448 HG3 GLN 50 3HG GLN 50 -17.417 -1.071 6.180 449 HE21 GLN 50 1HE2 GLN 50 -15.830 -1.404 7.772 450 HE22 GLN 50 2HE2 GLN 50 -16.211 -1.623 9.447 451 H ASN 51 H ASN 51 -15.315 3.201 7.396 452 HA ASN 51 HA ASN 51 -13.673 3.284 8.967 453 HB2 ASN 51 2HB ASN 51 -14.791 0.521 9.632 454 HB3 ASN 51 3HB ASN 51 -13.701 1.426 10.678 455 HD21 ASN 51 1HD2 ASN 51 -16.955 1.260 9.406 456 HD22 ASN 51 2HD2 ASN 51 -17.650 2.395 10.505 457 H ILE 52 H ILE 52 -12.846 2.341 6.370 458 HA ILE 52 HA ILE 52 -10.671 0.438 6.976 459 HB ILE 52 HB ILE 52 -12.391 -0.248 5.196 460 HG12 ILE 52 2HG1 ILE 52 -9.497 -0.085 4.230 461 HG13 ILE 52 3HG1 ILE 52 -10.095 -1.266 5.390 462 HG21 ILE 52 1HG2 ILE 52 -12.667 1.949 4.101 463 HG22 ILE 52 2HG2 ILE 52 -12.195 0.707 2.940 464 HG23 ILE 52 3HG2 ILE 52 -11.003 1.874 3.517 465 HD11 ILE 52 3HD1 ILE 52 -11.583 -2.194 3.688 466 HD12 ILE 52 1HD1 ILE 52 -9.895 -2.234 3.183 467 HD13 ILE 52 2HD1 ILE 52 -10.984 -1.020 2.513 468 H LYS 53 H LYS 53 -8.597 0.963 6.392 469 HA LYS 53 HA LYS 53 -8.033 3.389 4.854 470 HB2 LYS 53 2HB LYS 53 -6.502 2.652 7.403 471 HB3 LYS 53 3HB LYS 53 -6.186 4.027 6.350 472 HG2 LYS 53 2HG LYS 53 -8.565 4.821 6.968 473 HG3 LYS 53 3HG LYS 53 -8.497 3.611 8.254 474 HD2 LYS 53 2HD LYS 53 -6.546 4.716 9.246 475 HD3 LYS 53 3HD LYS 53 -6.474 5.861 7.900 476 HE2 LYS 53 2HE LYS 53 -8.653 5.641 10.001 477 HE3 LYS 53 3HE LYS 53 -7.518 6.973 9.773 478 HZ1 LYS 53 3HZ LYS 53 -9.705 7.485 8.869 479 HZ2 LYS 53 1HZ LYS 53 -9.618 6.153 7.836 480 HZ3 LYS 53 2HZ LYS 53 -8.548 7.441 7.632 481 H VAL 54 H VAL 54 -6.548 2.945 3.335 482 HA VAL 54 HA VAL 54 -4.975 0.422 3.475 483 HB VAL 54 HB VAL 54 -6.088 1.781 0.985 484 HG11 VAL 54 1HG1 VAL 54 -4.508 -0.793 1.202 485 HG12 VAL 54 2HG1 VAL 54 -3.929 0.724 0.511 486 HG13 VAL 54 3HG1 VAL 54 -5.240 -0.159 -0.274 487 HG21 VAL 54 3HG2 VAL 54 -7.549 -0.192 0.740 488 HG22 VAL 54 1HG2 VAL 54 -7.863 0.644 2.264 489 HG23 VAL 54 2HG2 VAL 54 -6.922 -0.851 2.253 490 H LEU 55 H LEU 55 -2.787 0.594 3.108 491 HA LEU 55 HA LEU 55 -1.635 3.284 2.649 492 HB2 LEU 55 2HB LEU 55 -1.085 2.210 4.821 493 HB3 LEU 55 3HB LEU 55 -0.428 0.824 3.969 494 HG LEU 55 HG LEU 55 1.295 2.412 2.927 495 HD11 LEU 55 1HD1 LEU 55 1.756 4.531 4.040 496 HD12 LEU 55 2HD1 LEU 55 0.313 4.339 5.041 497 HD13 LEU 55 3HD1 LEU 55 0.160 4.529 3.292 498 HD21 LEU 55 3HD2 LEU 55 1.888 0.879 4.705 499 HD22 LEU 55 1HD2 LEU 55 1.370 2.043 5.924 500 HD23 LEU 55 2HD2 LEU 55 2.755 2.402 4.890 501 H ILE 56 H ILE 56 -0.983 3.503 0.569 502 HA ILE 56 HA ILE 56 0.010 1.141 -0.883 503 HB ILE 56 HB ILE 56 -0.928 3.804 -2.037 504 HG12 ILE 56 2HG1 ILE 56 -2.269 1.056 -2.095 505 HG13 ILE 56 3HG1 ILE 56 -2.789 2.409 -1.101 506 HG21 ILE 56 1HG2 ILE 56 -0.740 2.671 -4.236 507 HG22 ILE 56 2HG2 ILE 56 -0.070 1.246 -3.445 508 HG23 ILE 56 3HG2 ILE 56 0.826 2.766 -3.426 509 HD11 ILE 56 3HD1 ILE 56 -4.204 2.149 -3.043 510 HD12 ILE 56 1HD1 ILE 56 -2.818 2.327 -4.120 511 HD13 ILE 56 2HD1 ILE 56 -3.339 3.682 -3.113 512 H LEU 57 H LEU 57 2.157 0.911 -0.706 513 HA LEU 57 HA LEU 57 3.955 3.262 -0.626 514 HB2 LEU 57 2HB LEU 57 4.657 0.308 -0.265 515 HB3 LEU 57 3HB LEU 57 5.796 1.635 -0.183 516 HG LEU 57 HG LEU 57 5.438 1.024 2.060 517 HD11 LEU 57 1HD1 LEU 57 3.605 3.391 1.617 518 HD12 LEU 57 2HD1 LEU 57 5.363 3.440 1.780 519 HD13 LEU 57 3HD1 LEU 57 4.371 2.923 3.141 520 HD21 LEU 57 3HD2 LEU 57 3.499 -0.423 1.700 521 HD22 LEU 57 1HD2 LEU 57 2.449 0.992 1.592 522 HD23 LEU 57 2HD2 LEU 57 3.283 0.618 3.104 523 H VAL 58 H VAL 58 4.644 3.959 -2.520 524 HA VAL 58 HA VAL 58 4.784 2.102 -4.839 525 HB VAL 58 HB VAL 58 4.453 4.144 -6.236 526 HG11 VAL 58 1HG1 VAL 58 2.055 4.483 -5.754 527 HG12 VAL 58 2HG1 VAL 58 2.253 3.716 -4.175 528 HG13 VAL 58 3HG1 VAL 58 2.497 2.777 -5.650 529 HG21 VAL 58 3HG2 VAL 58 3.715 6.247 -5.178 530 HG22 VAL 58 1HG2 VAL 58 5.359 5.831 -4.713 531 HG23 VAL 58 2HG2 VAL 58 4.027 5.568 -3.586 532 H SER 59 H SER 59 6.581 2.220 -6.192 533 HA SER 59 HA SER 59 9.040 3.156 -4.912 534 HB2 SER 59 2HB SER 59 8.873 0.843 -5.790 535 HB3 SER 59 3HB SER 59 8.646 1.473 -7.420 536 HG SER 59 HG SER 59 10.907 0.951 -6.193 537 H ASN 60 H ASN 60 6.885 4.371 -7.275 538 HA ASN 60 HA ASN 60 8.873 6.318 -8.289 539 HB2 ASN 60 2HB ASN 60 7.009 4.698 -10.100 540 HB3 ASN 60 3HB ASN 60 7.964 6.073 -10.624 541 HD21 ASN 60 1HD2 ASN 60 8.093 2.739 -9.573 542 HD22 ASN 60 2HD2 ASN 60 9.699 2.426 -10.131 543 H ASP 61 H ASP 61 7.994 8.269 -9.097 544 HA ASP 61 HA ASP 61 5.704 9.381 -7.891 545 HB2 ASP 61 2HB ASP 61 7.134 10.324 -10.429 546 HB3 ASP 61 3HB ASP 61 6.014 11.293 -9.474 547 H GLU 62 H GLU 62 6.150 7.807 -10.992 548 HA GLU 62 HA GLU 62 3.738 8.411 -12.292 549 HB2 GLU 62 2HB GLU 62 5.722 7.302 -13.361 550 HB3 GLU 62 3HB GLU 62 5.387 5.845 -12.433 551 HG2 GLU 62 2HG GLU 62 4.589 5.501 -14.674 552 HG3 GLU 62 3HG GLU 62 3.185 5.652 -13.621 553 H GLU 63 H GLU 63 4.639 5.735 -10.173 554 HA GLU 63 HA GLU 63 2.134 4.405 -10.138 555 HB2 GLU 63 2HB GLU 63 4.290 4.196 -8.005 556 HB3 GLU 63 3HB GLU 63 3.122 2.967 -8.473 557 HG2 GLU 63 2HG GLU 63 5.472 3.937 -10.107 558 HG3 GLU 63 3HG GLU 63 5.365 2.410 -9.250 559 H LEU 64 H LEU 64 3.696 6.821 -8.075 560 HA LEU 64 HA LEU 64 2.036 6.904 -5.856 561 HB2 LEU 64 2HB LEU 64 4.180 8.097 -5.993 562 HB3 LEU 64 3HB LEU 64 3.549 9.149 -7.247 563 HG LEU 64 HG LEU 64 1.927 10.106 -5.549 564 HD11 LEU 64 1HD1 LEU 64 3.539 8.507 -3.542 565 HD12 LEU 64 2HD1 LEU 64 1.838 8.273 -3.952 566 HD13 LEU 64 3HD1 LEU 64 2.351 9.757 -3.156 567 HD21 LEU 64 3HD2 LEU 64 3.569 11.524 -4.429 568 HD22 LEU 64 1HD2 LEU 64 3.998 11.280 -6.122 569 HD23 LEU 64 2HD2 LEU 64 4.863 10.402 -4.857 570 H ASP 65 H ASP 65 1.892 8.989 -8.740 571 HA ASP 65 HA ASP 65 -0.417 10.397 -7.985 572 HB2 ASP 65 2HB ASP 65 1.285 11.195 -9.663 573 HB3 ASP 65 3HB ASP 65 0.637 10.038 -10.823 574 H LYS 66 H LYS 66 0.078 7.525 -10.026 575 HA LYS 66 HA LYS 66 -2.572 7.385 -11.061 576 HB2 LYS 66 2HB LYS 66 -0.573 6.295 -12.133 577 HB3 LYS 66 3HB LYS 66 -0.527 5.130 -10.813 578 HG2 LYS 66 2HG LYS 66 -1.595 4.235 -12.887 579 HG3 LYS 66 3HG LYS 66 -2.667 4.191 -11.483 580 HD2 LYS 66 2HD LYS 66 -3.901 6.126 -12.269 581 HD3 LYS 66 3HD LYS 66 -2.741 6.419 -13.566 582 HE2 LYS 66 2HE LYS 66 -4.444 3.912 -13.383 583 HE3 LYS 66 3HE LYS 66 -4.918 5.355 -14.283 584 HZ1 LYS 66 3HZ LYS 66 -2.414 3.845 -14.770 585 HZ2 LYS 66 1HZ LYS 66 -3.032 5.112 -15.696 586 HZ3 LYS 66 2HZ LYS 66 -3.837 3.626 -15.651 587 H ALA 67 H ALA 67 -0.968 5.813 -8.261 588 HA ALA 67 HA ALA 67 -3.115 4.092 -7.567 589 HB1 ALA 67 3HB ALA 67 -0.806 3.696 -6.835 590 HB2 ALA 67 1HB ALA 67 -1.907 3.756 -5.462 591 HB3 ALA 67 2HB ALA 67 -0.864 5.138 -5.819 592 H LYS 68 H LYS 68 -2.256 7.414 -6.548 593 HA LYS 68 HA LYS 68 -4.241 7.800 -4.580 594 HB2 LYS 68 2HB LYS 68 -3.031 9.812 -6.522 595 HB3 LYS 68 3HB LYS 68 -4.103 10.262 -5.198 596 HG2 LYS 68 2HG LYS 68 -2.453 9.292 -3.592 597 HG3 LYS 68 3HG LYS 68 -1.361 8.990 -4.941 598 HD2 LYS 68 2HD LYS 68 -2.403 11.753 -4.195 599 HD3 LYS 68 3HD LYS 68 -0.883 11.094 -3.596 600 HE2 LYS 68 2HE LYS 68 -0.353 12.535 -5.431 601 HE3 LYS 68 3HE LYS 68 -0.130 10.885 -6.008 602 HZ1 LYS 68 3HZ LYS 68 -2.208 11.025 -7.184 603 HZ2 LYS 68 1HZ LYS 68 -1.263 12.364 -7.595 604 HZ3 LYS 68 2HZ LYS 68 -2.547 12.540 -6.514 605 H GLU 69 H GLU 69 -4.318 8.192 -8.102 606 HA GLU 69 HA GLU 69 -6.888 9.362 -8.362 607 HB2 GLU 69 2HB GLU 69 -5.386 7.623 -10.367 608 HB3 GLU 69 3HB GLU 69 -6.801 8.609 -10.740 609 HG2 GLU 69 2HG GLU 69 -5.532 10.645 -10.103 610 HG3 GLU 69 3HG GLU 69 -4.113 9.647 -9.808 611 H LEU 70 H LEU 70 -5.832 5.971 -8.547 612 HA LEU 70 HA LEU 70 -8.310 4.803 -9.253 613 HB2 LEU 70 2HB LEU 70 -5.946 3.519 -7.812 614 HB3 LEU 70 3HB LEU 70 -7.230 2.653 -8.645 615 HG LEU 70 HG LEU 70 -5.230 4.502 -9.998 616 HD11 LEU 70 1HD1 LEU 70 -4.095 2.520 -9.164 617 HD12 LEU 70 2HD1 LEU 70 -4.186 2.493 -10.923 618 HD13 LEU 70 3HD1 LEU 70 -5.268 1.474 -9.970 619 HD21 LEU 70 3HD2 LEU 70 -6.093 3.592 -12.113 620 HD22 LEU 70 1HD2 LEU 70 -7.340 4.448 -11.209 621 HD23 LEU 70 2HD2 LEU 70 -7.319 2.683 -11.227 622 H ALA 71 H ALA 71 -6.670 5.264 -6.128 623 HA ALA 71 HA ALA 71 -8.422 4.033 -4.372 624 HB1 ALA 71 3HB ALA 71 -6.692 6.488 -3.960 625 HB2 ALA 71 1HB ALA 71 -6.183 4.809 -3.782 626 HB3 ALA 71 2HB ALA 71 -7.376 5.490 -2.673 627 H GLN 72 H GLN 72 -8.411 7.432 -5.472 628 HA GLN 72 HA GLN 72 -10.580 8.301 -3.835 629 HB2 GLN 72 2HB GLN 72 -9.347 9.553 -6.319 630 HB3 GLN 72 3HB GLN 72 -10.526 10.362 -5.287 631 HG2 GLN 72 2HG GLN 72 -8.983 10.312 -3.405 632 HG3 GLN 72 3HG GLN 72 -7.813 9.385 -4.346 633 HE21 GLN 72 1HE2 GLN 72 -6.700 10.442 -6.067 634 HE22 GLN 72 2HE2 GLN 72 -6.567 12.164 -6.122 635 H LYS 73 H LYS 73 -10.362 7.013 -7.099 636 HA LYS 73 HA LYS 73 -13.025 7.534 -7.954 637 HB2 LYS 73 2HB LYS 73 -11.039 5.386 -8.807 638 HB3 LYS 73 3HB LYS 73 -12.586 5.644 -9.605 639 HG2 LYS 73 2HG LYS 73 -10.316 7.649 -9.438 640 HG3 LYS 73 3HG LYS 73 -10.748 6.689 -10.849 641 HD2 LYS 73 2HD LYS 73 -12.490 8.821 -9.550 642 HD3 LYS 73 3HD LYS 73 -11.574 9.000 -11.047 643 HE2 LYS 73 2HE LYS 73 -12.947 7.304 -12.145 644 HE3 LYS 73 3HE LYS 73 -13.814 6.988 -10.640 645 HZ1 LYS 73 3HZ LYS 73 -15.083 8.419 -12.097 646 HZ2 LYS 73 1HZ LYS 73 -13.829 9.550 -12.140 647 HZ3 LYS 73 2HZ LYS 73 -14.649 9.253 -10.692 648 H MET 74 H MET 74 -11.546 4.953 -6.104 649 HA MET 74 HA MET 74 -13.985 3.383 -5.862 650 HB2 MET 74 2HB MET 74 -11.266 3.117 -4.514 651 HB3 MET 74 3HB MET 74 -12.583 1.963 -4.346 652 HG2 MET 74 2HG MET 74 -11.202 2.634 -6.950 653 HG3 MET 74 3HG MET 74 -10.854 1.233 -5.938 654 HE1 MET 74 3HE MET 74 -12.618 -0.706 -8.728 655 HE2 MET 74 1HE MET 74 -11.315 -0.700 -7.539 656 HE3 MET 74 2HE MET 74 -11.350 0.516 -8.820 657 H GLU 75 H GLU 75 -12.744 6.152 -4.398 658 HA GLU 75 HA GLU 75 -13.080 7.361 -2.521 659 HB2 GLU 75 2HB GLU 75 -15.743 5.888 -2.569 660 HB3 GLU 75 3HB GLU 75 -15.415 7.313 -1.583 661 HG2 GLU 75 2HG GLU 75 -14.968 8.630 -3.635 662 HG3 GLU 75 3HG GLU 75 -15.318 7.207 -4.618 663 H ILE 76 H ILE 76 -11.976 4.548 -2.205 664 HA ILE 76 HA ILE 76 -12.463 3.852 0.572 665 HB ILE 76 HB ILE 76 -10.348 2.897 -1.424 666 HG12 ILE 76 2HG1 ILE 76 -12.895 1.487 -0.500 667 HG13 ILE 76 3HG1 ILE 76 -12.725 2.332 -2.034 668 HG21 ILE 76 1HG2 ILE 76 -9.558 2.580 0.899 669 HG22 ILE 76 2HG2 ILE 76 -9.890 1.033 0.119 670 HG23 ILE 76 3HG2 ILE 76 -11.040 1.696 1.279 671 HD11 ILE 76 3HD1 ILE 76 -11.002 0.730 -2.723 672 HD12 ILE 76 1HD1 ILE 76 -12.533 -0.055 -2.337 673 HD13 ILE 76 2HD1 ILE 76 -11.195 -0.130 -1.191 674 H ASP 77 H ASP 77 -11.259 4.675 2.309 675 HA ASP 77 HA ASP 77 -9.588 6.944 1.867 676 HB2 ASP 77 2HB ASP 77 -10.885 6.747 3.958 677 HB3 ASP 77 3HB ASP 77 -9.944 5.322 4.419 678 H VAL 78 H VAL 78 -7.561 6.908 1.206 679 HA VAL 78 HA VAL 78 -5.775 4.665 1.911 680 HB VAL 78 HB VAL 78 -6.105 5.946 -0.842 681 HG11 VAL 78 1HG1 VAL 78 -4.110 3.841 0.048 682 HG12 VAL 78 2HG1 VAL 78 -3.729 5.510 -0.388 683 HG13 VAL 78 3HG1 VAL 78 -4.349 4.401 -1.609 684 HG21 VAL 78 3HG2 VAL 78 -7.853 4.288 -0.388 685 HG22 VAL 78 1HG2 VAL 78 -6.642 3.107 0.098 686 HG23 VAL 78 2HG2 VAL 78 -6.720 3.639 -1.579 687 H ARG 79 H ARG 79 -3.820 5.243 2.569 688 HA ARG 79 HA ARG 79 -2.767 7.985 2.340 689 HB2 ARG 79 2HB ARG 79 -2.195 5.620 4.181 690 HB3 ARG 79 3HB ARG 79 -0.958 6.841 3.935 691 HG2 ARG 79 2HG ARG 79 -2.160 7.212 6.007 692 HG3 ARG 79 3HG ARG 79 -2.400 8.553 4.897 693 HD2 ARG 79 2HD ARG 79 -4.475 6.362 5.096 694 HD3 ARG 79 3HD ARG 79 -4.421 7.643 6.307 695 HE ARG 79 HE ARG 79 -5.073 7.943 3.466 696 HH11 ARG 79 1HH1 ARG 79 -4.843 9.450 6.632 697 HH12 ARG 79 2HH1 ARG 79 -5.730 10.859 6.151 698 HH21 ARG 79 1HH2 ARG 79 -6.202 9.793 2.839 699 HH22 ARG 79 2HH2 ARG 79 -6.504 11.053 3.993 700 H THR 80 H THR 80 -1.604 8.159 0.426 701 HA THR 80 HA THR 80 -0.153 5.772 -0.595 702 HB THR 80 HB THR 80 -0.933 8.229 -2.240 703 HG1 THR 80 HG1 THR 80 -2.288 5.726 -2.190 704 HG21 THR 80 3HG2 THR 80 -0.112 5.415 -3.055 705 HG22 THR 80 1HG2 THR 80 0.884 6.870 -3.217 706 HG23 THR 80 2HG2 THR 80 -0.596 6.698 -4.164 707 H ARG 81 H ARG 81 1.979 5.885 -0.171 708 HA ARG 81 HA ARG 81 3.375 8.508 -0.006 709 HB2 ARG 81 2HB ARG 81 3.906 6.005 1.671 710 HB3 ARG 81 3HB ARG 81 4.827 7.501 1.755 711 HG2 ARG 81 2HG ARG 81 1.898 7.207 2.494 712 HG3 ARG 81 3HG ARG 81 3.240 7.243 3.638 713 HD2 ARG 81 2HD ARG 81 3.798 9.559 2.823 714 HD3 ARG 81 3HD ARG 81 2.350 9.502 1.807 715 HE ARG 81 HE ARG 81 1.766 8.940 4.552 716 HH11 ARG 81 1HH1 ARG 81 2.324 11.627 2.330 717 HH12 ARG 81 2HH1 ARG 81 1.436 12.762 3.297 718 HH21 ARG 81 1HH2 ARG 81 0.628 10.449 5.811 719 HH22 ARG 81 2HH2 ARG 81 0.480 12.090 5.263 720 H LYS 82 H LYS 82 5.192 8.659 -1.259 721 HA LYS 82 HA LYS 82 6.042 6.355 -2.836 722 HB2 LYS 82 2HB LYS 82 5.742 8.658 -3.887 723 HB3 LYS 82 3HB LYS 82 7.155 9.191 -2.977 724 HG2 LYS 82 2HG LYS 82 8.452 7.295 -4.101 725 HG3 LYS 82 3HG LYS 82 7.043 7.060 -5.137 726 HD2 LYS 82 2HD LYS 82 8.589 8.421 -6.364 727 HD3 LYS 82 3HD LYS 82 7.278 9.485 -5.852 728 HE2 LYS 82 2HE LYS 82 8.673 10.350 -4.020 729 HE3 LYS 82 3HE LYS 82 9.962 9.225 -4.453 730 HZ1 LYS 82 3HZ LYS 82 10.422 11.404 -5.339 731 HZ2 LYS 82 1HZ LYS 82 8.944 11.437 -6.159 732 HZ3 LYS 82 2HZ LYS 82 10.133 10.329 -6.611 733 H VAL 83 H VAL 83 7.597 5.093 -2.137 734 HA VAL 83 HA VAL 83 9.737 6.098 -0.349 735 HB VAL 83 HB VAL 83 9.834 3.824 0.654 736 HG11 VAL 83 1HG1 VAL 83 7.732 3.946 1.975 737 HG12 VAL 83 2HG1 VAL 83 7.072 5.098 0.814 738 HG13 VAL 83 3HG1 VAL 83 8.484 5.530 1.781 739 HG21 VAL 83 3HG2 VAL 83 8.025 2.167 0.224 740 HG22 VAL 83 1HG2 VAL 83 8.975 2.490 -1.227 741 HG23 VAL 83 2HG2 VAL 83 7.377 3.210 -1.044 742 H THR 84 H THR 84 11.833 5.424 -0.817 743 HA THR 84 HA THR 84 12.267 4.047 -3.411 744 HB THR 84 HB THR 84 14.338 5.512 -3.627 745 HG1 THR 84 HG1 THR 84 14.790 6.435 -1.760 746 HG21 THR 84 3HG2 THR 84 11.696 7.023 -3.508 747 HG22 THR 84 1HG2 THR 84 12.277 6.086 -4.886 748 HG23 THR 84 2HG2 THR 84 13.143 7.539 -4.378 749 H SER 85 H SER 85 12.518 3.451 -0.253 750 HA SER 85 HA SER 85 14.745 1.580 -0.548 751 HB2 SER 85 2HB SER 85 14.757 3.689 1.660 752 HB3 SER 85 3HB SER 85 15.913 2.370 1.495 753 HG SER 85 HG SER 85 16.079 3.492 -0.778 754 HA PRO 86 HA PRO 86 12.136 -1.239 1.647 755 HB2 PRO 86 2HB PRO 86 14.546 -1.977 3.310 756 HB3 PRO 86 3HB PRO 86 13.436 -3.022 2.390 757 HG2 PRO 86 2HG PRO 86 15.834 -2.487 1.398 758 HG3 PRO 86 3HG PRO 86 14.407 -2.506 0.337 759 HD2 PRO 86 2HD PRO 86 15.910 -0.135 1.425 760 HD3 PRO 86 3HD PRO 86 15.176 -0.378 -0.178 761 H ASP 87 H ASP 87 14.353 0.453 3.884 762 HA ASP 87 HA ASP 87 12.602 0.016 6.158 763 HB2 ASP 87 2HB ASP 87 15.207 1.569 5.931 764 HB3 ASP 87 3HB ASP 87 14.297 1.408 7.431 765 H GLU 88 H GLU 88 13.103 2.605 3.854 766 HA GLU 88 HA GLU 88 11.596 4.630 5.148 767 HB2 GLU 88 2HB GLU 88 11.882 4.069 2.159 768 HB3 GLU 88 3HB GLU 88 11.183 5.536 2.835 769 HG2 GLU 88 2HG GLU 88 14.042 4.618 3.242 770 HG3 GLU 88 3HG GLU 88 13.529 5.819 2.067 771 H ALA 89 H ALA 89 10.646 1.951 2.976 772 HA ALA 89 HA ALA 89 7.859 2.399 2.922 773 HB1 ALA 89 3HB ALA 89 8.990 0.860 1.364 774 HB2 ALA 89 1HB ALA 89 7.666 0.052 2.205 775 HB3 ALA 89 2HB ALA 89 9.338 -0.248 2.693 776 H LYS 90 H LYS 90 9.863 0.363 5.023 777 HA LYS 90 HA LYS 90 7.935 -0.758 6.701 778 HB2 LYS 90 2HB LYS 90 10.859 -0.058 7.178 779 HB3 LYS 90 3HB LYS 90 9.907 -1.047 8.281 780 HG2 LYS 90 2HG LYS 90 9.654 -2.793 6.639 781 HG3 LYS 90 3HG LYS 90 10.329 -1.771 5.368 782 HD2 LYS 90 2HD LYS 90 11.989 -3.422 6.114 783 HD3 LYS 90 3HD LYS 90 12.522 -1.786 6.495 784 HE2 LYS 90 2HE LYS 90 11.793 -2.117 8.843 785 HE3 LYS 90 3HE LYS 90 11.295 -3.761 8.446 786 HZ1 LYS 90 3HZ LYS 90 14.056 -2.674 8.370 787 HZ2 LYS 90 1HZ LYS 90 13.619 -4.203 7.793 788 HZ3 LYS 90 2HZ LYS 90 13.436 -3.839 9.432 789 H ARG 91 H ARG 91 9.629 2.329 6.877 790 HA ARG 91 HA ARG 91 8.964 3.170 9.451 791 HB2 ARG 91 2HB ARG 91 10.644 4.321 8.064 792 HB3 ARG 91 3HB ARG 91 9.397 4.820 6.925 793 HG2 ARG 91 2HG ARG 91 8.345 6.180 8.769 794 HG3 ARG 91 3HG ARG 91 9.719 5.758 9.795 795 HD2 ARG 91 2HD ARG 91 11.247 6.839 8.167 796 HD3 ARG 91 3HD ARG 91 9.856 7.270 7.166 797 HE ARG 91 HE ARG 91 10.299 8.278 9.913 798 HH11 ARG 91 1HH1 ARG 91 9.154 8.825 6.633 799 HH12 ARG 91 2HH1 ARG 91 8.717 10.475 6.942 800 HH21 ARG 91 1HH2 ARG 91 9.781 10.442 10.286 801 HH22 ARG 91 2HH2 ARG 91 9.075 11.388 9.014 802 H TRP 92 H TRP 92 7.325 4.017 6.344 803 HA TRP 92 HA TRP 92 5.165 5.339 7.541 804 HB2 TRP 92 2HB TRP 92 5.475 4.154 4.759 805 HB3 TRP 92 3HB TRP 92 4.092 5.136 5.249 806 HD1 TRP 92 HD1 TRP 92 7.653 5.473 4.056 807 HE1 TRP 92 HE1 TRP 92 8.307 7.952 3.967 808 HE3 TRP 92 HE3 TRP 92 3.652 7.461 6.536 809 HZ2 TRP 92 HZ2 TRP 92 7.279 10.421 4.816 810 HZ3 TRP 92 HZ3 TRP 92 3.561 9.904 6.858 811 HH2 TRP 92 HH2 TRP 92 5.341 11.350 6.011 812 H ILE 93 H ILE 93 5.649 1.924 6.974 813 HA ILE 93 HA ILE 93 2.912 1.105 7.238 814 HB ILE 93 HB ILE 93 5.524 -0.417 7.659 815 HG12 ILE 93 2HG1 ILE 93 3.503 -0.505 5.371 816 HG13 ILE 93 3HG1 ILE 93 5.047 0.336 5.329 817 HG21 ILE 93 1HG2 ILE 93 3.768 -1.493 9.029 818 HG22 ILE 93 2HG2 ILE 93 4.229 -2.519 7.670 819 HG23 ILE 93 3HG2 ILE 93 2.722 -1.602 7.611 820 HD11 ILE 93 3HD1 ILE 93 6.202 -1.813 5.577 821 HD12 ILE 93 1HD1 ILE 93 5.195 -1.728 4.134 822 HD13 ILE 93 2HD1 ILE 93 4.641 -2.639 5.538 823 H LYS 94 H LYS 94 5.652 1.409 9.497 824 HA LYS 94 HA LYS 94 4.359 0.740 11.891 825 HB2 LYS 94 2HB LYS 94 6.833 0.962 11.577 826 HB3 LYS 94 3HB LYS 94 6.645 2.708 11.458 827 HG2 LYS 94 2HG LYS 94 5.814 2.779 13.785 828 HG3 LYS 94 3HG LYS 94 5.973 1.023 13.893 829 HD2 LYS 94 2HD LYS 94 8.449 1.302 13.417 830 HD3 LYS 94 3HD LYS 94 8.218 3.048 13.547 831 HE2 LYS 94 2HE LYS 94 9.082 2.148 15.646 832 HE3 LYS 94 3HE LYS 94 7.437 2.742 15.890 833 HZ1 LYS 94 3HZ LYS 94 8.205 -0.098 15.464 834 HZ2 LYS 94 1HZ LYS 94 6.633 0.470 15.727 835 HZ3 LYS 94 2HZ LYS 94 7.794 0.599 16.948 836 H GLU 95 H GLU 95 4.693 3.854 10.189 837 HA GLU 95 HA GLU 95 3.401 5.414 12.212 838 HB2 GLU 95 2HB GLU 95 4.020 6.104 9.311 839 HB3 GLU 95 3HB GLU 95 3.420 7.246 10.509 840 HG2 GLU 95 2HG GLU 95 5.538 6.605 11.889 841 HG3 GLU 95 3HG GLU 95 6.129 5.913 10.380 842 H PHE 96 H PHE 96 2.285 3.594 9.434 843 HA PHE 96 HA PHE 96 -0.235 4.920 9.077 844 HB2 PHE 96 2HB PHE 96 0.729 3.693 7.226 845 HB3 PHE 96 3HB PHE 96 0.792 2.203 8.161 846 HD1 PHE 96 HD1 PHE 96 -1.691 4.729 6.870 847 HD2 PHE 96 HD2 PHE 96 -0.928 0.638 7.888 848 HE1 PHE 96 HE1 PHE 96 -3.902 4.081 6.009 849 HE2 PHE 96 HE2 PHE 96 -3.133 0.011 7.027 850 HZ PHE 96 HZ PHE 96 -4.608 1.728 6.098 851 H SER 97 H SER 97 0.759 1.945 10.767 852 HA SER 97 HA SER 97 -1.771 1.242 11.796 853 HB2 SER 97 2HB SER 97 -0.287 0.101 13.646 854 HB3 SER 97 3HB SER 97 -0.164 -0.460 11.978 855 HG SER 97 HG SER 97 1.778 0.398 11.799 856 H GLU 98 H GLU 98 0.569 3.660 12.836 857 HA GLU 98 HA GLU 98 -0.837 4.441 15.224 858 HB2 GLU 98 2HB GLU 98 1.174 6.043 13.593 859 HB3 GLU 98 3HB GLU 98 0.676 6.378 15.245 860 HG2 GLU 98 2HG GLU 98 2.222 3.934 14.332 861 HG3 GLU 98 3HG GLU 98 2.921 5.350 15.109 862 H GLU 99 H GLU 99 -0.945 5.420 11.808 863 HA GLU 99 HA GLU 99 -2.724 7.670 12.174 864 HB2 GLU 99 2HB GLU 99 -1.967 6.102 9.663 865 HB3 GLU 99 3HB GLU 99 -2.955 7.556 9.657 866 HG2 GLU 99 2HG GLU 99 -0.055 7.367 10.494 867 HG3 GLU 99 3HG GLU 99 -0.665 8.063 8.999 868 H GLY 100 H GLY 100 -3.143 4.304 12.170 869 HA2 GLY 100 2HA GLY 100 -5.694 4.085 10.885 870 HA3 GLY 100 3HA GLY 100 -4.874 2.860 11.835 871 H GLY 101 H GLY 101 -6.808 5.808 12.106 872 HA2 GLY 101 2HA GLY 101 -8.672 4.826 13.937 873 HA3 GLY 101 3HA GLY 101 -7.402 5.617 14.872 874 H SER 102 H SER 102 -8.625 7.324 15.587 875 HA SER 102 HA SER 102 -10.179 8.970 13.749 876 HB2 SER 102 2HB SER 102 -9.782 9.145 16.769 877 HB3 SER 102 3HB SER 102 -10.928 10.106 15.829 878 HG SER 102 HG SER 102 -11.672 7.875 15.103 879 H LEU 103 H LEU 103 -7.246 8.995 13.392 880 HA LEU 103 HA LEU 103 -6.611 11.833 13.827 881 HB2 LEU 103 2HB LEU 103 -5.087 9.680 12.289 882 HB3 LEU 103 3HB LEU 103 -4.503 11.306 12.614 883 HG LEU 103 HG LEU 103 -4.984 9.116 14.672 884 HD11 LEU 103 1HD1 LEU 103 -2.925 8.823 13.387 885 HD12 LEU 103 2HD1 LEU 103 -2.578 9.229 15.064 886 HD13 LEU 103 3HD1 LEU 103 -2.406 10.457 13.807 887 HD21 LEU 103 3HD2 LEU 103 -5.643 11.260 15.643 888 HD22 LEU 103 1HD2 LEU 103 -4.105 11.981 15.163 889 HD23 LEU 103 2HD2 LEU 103 -4.143 10.690 16.367 890 H GLU 104 H GLU 104 -8.682 10.305 11.953 891 HA GLU 104 HA GLU 104 -8.269 11.644 9.403 892 HB2 GLU 104 2HB GLU 104 -10.265 10.373 8.717 893 HB3 GLU 104 3HB GLU 104 -9.035 9.316 9.397 894 HG2 GLU 104 2HG GLU 104 -10.264 9.086 11.464 895 HG3 GLU 104 3HG GLU 104 -11.425 10.324 10.979 896 H HIS 105 H HIS 105 -10.712 12.304 8.540 897 HA HIS 105 HA HIS 105 -12.293 13.918 8.425 898 HB2 HIS 105 2HB HIS 105 -13.198 12.423 10.321 899 HB3 HIS 105 3HB HIS 105 -12.581 13.617 11.453 900 HD1 HIS 105 HD1 HIS 105 -15.216 13.114 8.807 901 HD2 HIS 105 HD2 HIS 105 -14.276 15.835 11.794 902 HE1 HIS 105 HE1 HIS 105 -17.215 14.610 8.998 903 HE2 HIS 105 HE2 HIS 105 -16.618 16.257 10.803 904 H HIS 106 H HIS 106 -9.505 14.672 8.927 905 HA HIS 106 HA HIS 106 -9.521 16.860 10.843 906 HB2 HIS 106 2HB HIS 106 -7.082 16.911 10.567 907 HB3 HIS 106 3HB HIS 106 -7.642 15.286 10.918 908 HD1 HIS 106 HD1 HIS 106 -5.225 16.892 8.930 909 HD2 HIS 106 HD2 HIS 106 -7.895 13.798 8.218 910 HE1 HIS 106 HE1 HIS 106 -4.331 15.678 6.924 911 HE2 HIS 106 HE2 HIS 106 -5.936 13.784 6.544 912 H HIS 107 H HIS 107 -10.751 18.453 9.868 913 HA HIS 107 HA HIS 107 -9.803 19.786 7.462 914 HB2 HIS 107 2HB HIS 107 -11.397 21.671 8.330 915 HB3 HIS 107 3HB HIS 107 -12.107 20.174 7.753 916 HD1 HIS 107 HD1 HIS 107 -13.502 18.847 9.349 917 HD2 HIS 107 HD2 HIS 107 -11.562 21.999 11.208 918 HE1 HIS 107 HE1 HIS 107 -14.523 19.005 11.628 919 HE2 HIS 107 HE2 HIS 107 -13.212 20.811 12.786 920 H HIS 108 H HIS 108 -7.639 19.645 8.248 921 HA HIS 108 HA HIS 108 -6.414 21.852 9.432 922 HB2 HIS 108 2HB HIS 108 -7.472 21.107 11.546 923 HB3 HIS 108 3HB HIS 108 -6.863 19.475 11.312 924 HD1 HIS 108 HD1 HIS 108 -5.842 22.880 12.480 925 HD2 HIS 108 HD2 HIS 108 -4.152 19.113 12.034 926 HE1 HIS 108 HE1 HIS 108 -3.713 22.928 13.805 927 HE2 HIS 108 HE2 HIS 108 -2.647 20.685 13.397 928 H HIS 109 H HIS 109 -4.899 21.606 7.881 929 HA HIS 109 HA HIS 109 -3.049 19.321 7.992 930 HB2 HIS 109 2HB HIS 109 -4.611 18.671 6.213 931 HB3 HIS 109 3HB HIS 109 -4.471 20.253 5.455 932 HD1 HIS 109 HD1 HIS 109 -2.800 16.925 5.682 933 HD2 HIS 109 HD2 HIS 109 -2.035 20.639 3.972 934 HE1 HIS 109 HE1 HIS 109 -0.961 16.544 4.019 935 HE2 HIS 109 HE2 HIS 109 -0.625 18.770 2.902 936 H HIS 110 H HIS 110 -1.187 20.311 8.453 937 HA HIS 110 HA HIS 110 -0.523 22.925 7.266 938 HB2 HIS 110 2HB HIS 110 -0.196 22.656 9.711 939 HB3 HIS 110 3HB HIS 110 0.919 21.319 9.430 940 HD1 HIS 110 HD1 HIS 110 3.325 21.946 9.248 941 HD2 HIS 110 HD2 HIS 110 0.836 25.203 8.574 942 HE1 HIS 110 HE1 HIS 110 4.852 23.930 9.046 943 HE2 HIS 110 HE2 HIS 110 3.316 25.893 8.712 Start of MODEL 13 1 H1 MET 1 1H MET 1 -11.993 -2.562 12.896 2 H2 MET 1 2H MET 1 -12.025 -1.108 13.755 3 H3 MET 1 3H MET 1 -10.639 -2.078 13.782 4 HA MET 1 HA MET 1 -11.752 -0.757 11.387 5 HB2 MET 1 2HB MET 1 -10.848 0.931 12.888 6 HB3 MET 1 3HB MET 1 -9.393 -0.013 13.166 7 HG2 MET 1 2HG MET 1 -8.674 0.361 10.863 8 HG3 MET 1 3HG MET 1 -10.165 1.235 10.514 9 HE1 MET 1 3HE MET 1 -10.720 3.638 11.362 10 HE2 MET 1 1HE MET 1 -9.769 4.499 12.573 11 HE3 MET 1 2HE MET 1 -10.657 3.044 13.024 12 H LEU 2 H LEU 2 -11.069 -1.648 9.528 13 HA LEU 2 HA LEU 2 -9.062 -3.766 9.499 14 HB2 LEU 2 2HB LEU 2 -10.816 -2.590 7.296 15 HB3 LEU 2 3HB LEU 2 -9.716 -3.939 7.066 16 HG LEU 2 HG LEU 2 -12.157 -3.952 8.884 17 HD11 LEU 2 1HD1 LEU 2 -11.722 -5.289 6.192 18 HD12 LEU 2 2HD1 LEU 2 -12.778 -3.911 6.523 19 HD13 LEU 2 3HD1 LEU 2 -13.139 -5.482 7.231 20 HD21 LEU 2 3HD2 LEU 2 -10.231 -6.208 8.216 21 HD22 LEU 2 1HD2 LEU 2 -11.736 -6.375 9.125 22 HD23 LEU 2 2HD2 LEU 2 -10.417 -5.412 9.782 23 H LEU 3 H LEU 3 -6.940 -3.228 9.268 24 HA LEU 3 HA LEU 3 -6.202 -0.813 7.711 25 HB2 LEU 3 2HB LEU 3 -4.650 -2.271 9.894 26 HB3 LEU 3 3HB LEU 3 -4.041 -0.901 8.982 27 HG LEU 3 HG LEU 3 -6.403 -0.843 10.905 28 HD11 LEU 3 1HD1 LEU 3 -4.254 -1.053 12.069 29 HD12 LEU 3 2HD1 LEU 3 -4.982 0.523 12.355 30 HD13 LEU 3 3HD1 LEU 3 -3.636 0.368 11.221 31 HD21 LEU 3 3HD2 LEU 3 -5.168 1.445 9.336 32 HD22 LEU 3 1HD2 LEU 3 -6.409 1.596 10.583 33 HD23 LEU 3 2HD2 LEU 3 -6.768 0.742 9.087 34 H TYR 4 H TYR 4 -5.605 -1.315 5.713 35 HA TYR 4 HA TYR 4 -4.088 -3.801 5.159 36 HB2 TYR 4 2HB TYR 4 -6.282 -2.437 3.553 37 HB3 TYR 4 3HB TYR 4 -5.130 -3.514 2.774 38 HD1 TYR 4 HD2 TYR 4 -7.799 -3.391 5.394 39 HD2 TYR 4 HD1 TYR 4 -5.374 -5.903 2.931 40 HE1 TYR 4 HE2 TYR 4 -9.135 -5.344 6.057 41 HE2 TYR 4 HE1 TYR 4 -6.711 -7.851 3.600 42 HH TYR 4 HH TYR 4 -9.673 -7.583 5.253 43 H VAL 5 H VAL 5 -2.483 -3.705 3.607 44 HA VAL 5 HA VAL 5 -1.378 -1.039 2.907 45 HB VAL 5 HB VAL 5 0.135 -3.532 3.883 46 HG11 VAL 5 1HG1 VAL 5 2.195 -2.184 3.732 47 HG12 VAL 5 2HG1 VAL 5 1.285 -0.865 2.996 48 HG13 VAL 5 3HG1 VAL 5 1.443 -2.405 2.150 49 HG21 VAL 5 3HG2 VAL 5 0.813 -2.148 5.821 50 HG22 VAL 5 1HG2 VAL 5 -0.943 -2.312 5.733 51 HG23 VAL 5 2HG2 VAL 5 -0.170 -0.810 5.223 52 H LEU 6 H LEU 6 -1.280 -0.847 0.709 53 HA LEU 6 HA LEU 6 -0.968 -3.240 -1.012 54 HB2 LEU 6 2HB LEU 6 -1.992 -0.440 -1.649 55 HB3 LEU 6 3HB LEU 6 -1.735 -1.682 -2.862 56 HG LEU 6 HG LEU 6 -3.776 -1.715 -0.620 57 HD11 LEU 6 1HD1 LEU 6 -4.439 -0.326 -2.524 58 HD12 LEU 6 2HD1 LEU 6 -5.449 -1.764 -2.409 59 HD13 LEU 6 3HD1 LEU 6 -4.175 -1.678 -3.631 60 HD21 LEU 6 3HD2 LEU 6 -2.913 -3.940 -0.800 61 HD22 LEU 6 1HD2 LEU 6 -3.067 -3.923 -2.561 62 HD23 LEU 6 2HD2 LEU 6 -4.508 -3.896 -1.544 63 H ILE 7 H ILE 7 1.129 -3.567 -1.542 64 HA ILE 7 HA ILE 7 2.936 -1.226 -1.645 65 HB ILE 7 HB ILE 7 3.544 -2.902 0.039 66 HG12 ILE 7 2HG1 ILE 7 5.559 -2.981 -2.248 67 HG13 ILE 7 3HG1 ILE 7 5.318 -1.593 -1.190 68 HG21 ILE 7 1HG2 ILE 7 2.590 -4.934 -0.953 69 HG22 ILE 7 2HG2 ILE 7 4.274 -5.178 -0.485 70 HG23 ILE 7 3HG2 ILE 7 3.857 -4.936 -2.182 71 HD11 ILE 7 3HD1 ILE 7 6.180 -4.324 -0.262 72 HD12 ILE 7 1HD1 ILE 7 6.043 -2.865 0.718 73 HD13 ILE 7 2HD1 ILE 7 7.250 -2.959 -0.562 74 H ILE 8 H ILE 8 2.958 -0.484 -3.699 75 HA ILE 8 HA ILE 8 3.264 -2.279 -5.988 76 HB ILE 8 HB ILE 8 3.451 0.770 -6.062 77 HG12 ILE 8 2HG1 ILE 8 0.921 -0.923 -6.192 78 HG13 ILE 8 3HG1 ILE 8 1.321 0.277 -4.975 79 HG21 ILE 8 1HG2 ILE 8 2.784 0.511 -8.421 80 HG22 ILE 8 2HG2 ILE 8 2.667 -1.236 -8.216 81 HG23 ILE 8 3HG2 ILE 8 4.234 -0.437 -8.077 82 HD11 ILE 8 3HD1 ILE 8 1.203 2.016 -6.714 83 HD12 ILE 8 1HD1 ILE 8 -0.308 1.150 -6.457 84 HD13 ILE 8 2HD1 ILE 8 0.683 0.778 -7.864 85 H SER 9 H SER 9 5.257 -3.182 -5.843 86 HA SER 9 HA SER 9 7.577 -1.465 -6.255 87 HB2 SER 9 2HB SER 9 7.526 -1.743 -3.783 88 HB3 SER 9 3HB SER 9 7.457 -3.493 -3.970 89 HG SER 9 HG SER 9 9.602 -1.731 -4.489 90 H ASN 10 H ASN 10 9.144 -2.446 -7.429 91 HA ASN 10 HA ASN 10 8.531 -5.075 -8.617 92 HB2 ASN 10 2HB ASN 10 10.514 -2.944 -9.529 93 HB3 ASN 10 3HB ASN 10 10.047 -4.387 -10.425 94 HD21 ASN 10 1HD2 ASN 10 7.170 -4.138 -9.806 95 HD22 ASN 10 2HD2 ASN 10 6.600 -2.800 -10.739 96 H ASP 11 H ASP 11 10.495 -3.643 -6.271 97 HA ASP 11 HA ASP 11 12.739 -5.511 -6.535 98 HB2 ASP 11 2HB ASP 11 13.202 -3.128 -5.943 99 HB3 ASP 11 3HB ASP 11 12.254 -3.307 -4.471 100 H LYS 12 H LYS 12 12.505 -7.452 -5.712 101 HA LYS 12 HA LYS 12 10.410 -8.368 -4.082 102 HB2 LYS 12 2HB LYS 12 13.081 -9.655 -4.785 103 HB3 LYS 12 3HB LYS 12 11.887 -10.471 -3.782 104 HG2 LYS 12 2HG LYS 12 11.631 -11.319 -5.993 105 HG3 LYS 12 3HG LYS 12 10.246 -10.275 -5.680 106 HD2 LYS 12 2HD LYS 12 11.336 -8.465 -6.995 107 HD3 LYS 12 3HD LYS 12 12.700 -9.540 -7.322 108 HE2 LYS 12 2HE LYS 12 11.205 -11.088 -8.524 109 HE3 LYS 12 3HE LYS 12 9.824 -10.050 -8.163 110 HZ1 LYS 12 3HZ LYS 12 10.595 -9.648 -10.380 111 HZ2 LYS 12 1HZ LYS 12 12.166 -9.327 -9.839 112 HZ3 LYS 12 2HZ LYS 12 10.903 -8.280 -9.436 113 H LYS 13 H LYS 13 13.621 -7.186 -3.229 114 HA LYS 13 HA LYS 13 13.717 -8.203 -0.553 115 HB2 LYS 13 2HB LYS 13 15.233 -5.847 -1.772 116 HB3 LYS 13 3HB LYS 13 15.631 -6.638 -0.252 117 HG2 LYS 13 2HG LYS 13 15.745 -7.924 -2.999 118 HG3 LYS 13 3HG LYS 13 17.133 -7.347 -2.070 119 HD2 LYS 13 2HD LYS 13 16.654 -9.020 -0.308 120 HD3 LYS 13 3HD LYS 13 15.248 -9.586 -1.214 121 HE2 LYS 13 2HE LYS 13 17.135 -11.102 -1.540 122 HE3 LYS 13 3HE LYS 13 16.751 -10.298 -3.061 123 HZ1 LYS 13 3HZ LYS 13 18.598 -8.798 -2.711 124 HZ2 LYS 13 1HZ LYS 13 19.144 -10.397 -2.626 125 HZ3 LYS 13 2HZ LYS 13 18.936 -9.498 -1.212 126 H LEU 14 H LEU 14 12.710 -5.140 -2.023 127 HA LEU 14 HA LEU 14 12.104 -3.696 0.315 128 HB2 LEU 14 2HB LEU 14 12.384 -2.838 -2.092 129 HB3 LEU 14 3HB LEU 14 10.737 -3.348 -2.394 130 HG LEU 14 HG LEU 14 11.398 -1.334 -0.206 131 HD11 LEU 14 1HD1 LEU 14 10.794 -0.663 -3.096 132 HD12 LEU 14 2HD1 LEU 14 12.340 -0.447 -2.270 133 HD13 LEU 14 3HD1 LEU 14 10.940 0.490 -1.761 134 HD21 LEU 14 3HD2 LEU 14 8.836 -1.812 -1.758 135 HD22 LEU 14 1HD2 LEU 14 9.086 -0.556 -0.538 136 HD23 LEU 14 2HD2 LEU 14 9.144 -2.253 -0.078 137 H ILE 15 H ILE 15 10.095 -5.724 -1.800 138 HA ILE 15 HA ILE 15 7.613 -5.411 -0.521 139 HB ILE 15 HB ILE 15 8.653 -7.788 -2.122 140 HG12 ILE 15 2HG1 ILE 15 6.925 -5.428 -3.020 141 HG13 ILE 15 3HG1 ILE 15 8.636 -5.625 -3.375 142 HG21 ILE 15 1HG2 ILE 15 6.729 -8.496 -0.779 143 HG22 ILE 15 2HG2 ILE 15 6.278 -8.413 -2.480 144 HG23 ILE 15 3HG2 ILE 15 5.778 -7.133 -1.372 145 HD11 ILE 15 3HD1 ILE 15 6.398 -7.390 -4.358 146 HD12 ILE 15 1HD1 ILE 15 8.117 -7.645 -4.678 147 HD13 ILE 15 2HD1 ILE 15 7.309 -6.203 -5.291 148 H GLU 16 H GLU 16 10.190 -7.781 -0.023 149 HA GLU 16 HA GLU 16 8.824 -9.397 1.857 150 HB2 GLU 16 2HB GLU 16 11.768 -9.124 1.175 151 HB3 GLU 16 3HB GLU 16 11.192 -10.253 2.398 152 HG2 GLU 16 2HG GLU 16 10.334 -10.254 -0.506 153 HG3 GLU 16 3HG GLU 16 11.548 -11.322 0.190 154 H GLU 17 H GLU 17 11.258 -6.807 2.360 155 HA GLU 17 HA GLU 17 11.334 -7.166 5.204 156 HB2 GLU 17 2HB GLU 17 12.393 -4.877 3.492 157 HB3 GLU 17 3HB GLU 17 12.743 -5.103 5.208 158 HG2 GLU 17 2HG GLU 17 13.785 -7.290 4.707 159 HG3 GLU 17 3HG GLU 17 13.452 -7.045 2.993 160 H ALA 18 H ALA 18 9.525 -5.004 3.071 161 HA ALA 18 HA ALA 18 8.308 -3.425 5.113 162 HB1 ALA 18 3HB ALA 18 7.258 -4.121 2.346 163 HB2 ALA 18 1HB ALA 18 8.278 -2.740 2.750 164 HB3 ALA 18 2HB ALA 18 6.638 -2.840 3.392 165 H ARG 19 H ARG 19 7.415 -6.476 3.499 166 HA ARG 19 HA ARG 19 4.891 -6.851 4.709 167 HB2 ARG 19 2HB ARG 19 5.627 -8.053 2.654 168 HB3 ARG 19 3HB ARG 19 6.760 -9.000 3.614 169 HG2 ARG 19 2HG ARG 19 4.920 -10.062 4.822 170 HG3 ARG 19 3HG ARG 19 3.745 -9.021 4.011 171 HD2 ARG 19 2HD ARG 19 3.748 -11.250 3.003 172 HD3 ARG 19 3HD ARG 19 4.330 -10.060 1.841 173 HE ARG 19 HE ARG 19 6.452 -11.005 1.927 174 HH11 ARG 19 1HH1 ARG 19 4.386 -12.613 4.304 175 HH12 ARG 19 2HH1 ARG 19 5.499 -13.927 4.529 176 HH21 ARG 19 1HH2 ARG 19 7.854 -12.745 2.227 177 HH22 ARG 19 2HH2 ARG 19 7.448 -13.997 3.360 178 H LYS 20 H LYS 20 8.150 -7.809 5.743 179 HA LYS 20 HA LYS 20 7.542 -9.468 7.934 180 HB2 LYS 20 2HB LYS 20 9.864 -7.497 7.667 181 HB3 LYS 20 3HB LYS 20 9.772 -8.783 8.867 182 HG2 LYS 20 2HG LYS 20 9.879 -10.479 7.110 183 HG3 LYS 20 3HG LYS 20 9.862 -9.226 5.868 184 HD2 LYS 20 2HD LYS 20 12.026 -8.340 6.826 185 HD3 LYS 20 3HD LYS 20 12.050 -9.722 7.922 186 HE2 LYS 20 2HE LYS 20 12.062 -11.233 5.918 187 HE3 LYS 20 3HE LYS 20 12.192 -9.801 4.895 188 HZ1 LYS 20 3HZ LYS 20 14.287 -9.268 6.055 189 HZ2 LYS 20 1HZ LYS 20 14.351 -10.750 5.249 190 HZ3 LYS 20 2HZ LYS 20 14.163 -10.711 6.925 191 H MET 21 H MET 21 7.969 -5.949 7.743 192 HA MET 21 HA MET 21 7.424 -5.354 10.466 193 HB2 MET 21 2HB MET 21 7.563 -3.704 7.928 194 HB3 MET 21 3HB MET 21 6.986 -2.965 9.417 195 HG2 MET 21 2HG MET 21 9.679 -4.293 9.058 196 HG3 MET 21 3HG MET 21 9.377 -2.557 9.066 197 HE1 MET 21 3HE MET 21 8.078 -2.083 12.790 198 HE2 MET 21 1HE MET 21 7.063 -2.514 11.414 199 HE3 MET 21 2HE MET 21 8.320 -1.284 11.238 200 H ALA 22 H ALA 22 5.344 -5.483 7.596 201 HA ALA 22 HA ALA 22 2.995 -4.459 8.747 202 HB1 ALA 22 3HB ALA 22 3.298 -4.692 6.321 203 HB2 ALA 22 1HB ALA 22 1.826 -5.507 6.847 204 HB3 ALA 22 2HB ALA 22 3.272 -6.450 6.469 205 H GLU 23 H GLU 23 4.220 -7.787 8.517 206 HA GLU 23 HA GLU 23 2.017 -9.120 9.706 207 HB2 GLU 23 2HB GLU 23 4.945 -9.933 9.482 208 HB3 GLU 23 3HB GLU 23 3.664 -11.016 10.014 209 HG2 GLU 23 2HG GLU 23 2.589 -10.922 7.843 210 HG3 GLU 23 3HG GLU 23 3.704 -9.675 7.291 211 H LYS 24 H LYS 24 4.973 -7.713 11.049 212 HA LYS 24 HA LYS 24 4.580 -8.549 13.760 213 HB2 LYS 24 2HB LYS 24 6.274 -6.287 12.610 214 HB3 LYS 24 3HB LYS 24 6.328 -6.802 14.296 215 HG2 LYS 24 2HG LYS 24 7.106 -9.033 13.608 216 HG3 LYS 24 3HG LYS 24 6.997 -8.557 11.918 217 HD2 LYS 24 2HD LYS 24 9.285 -8.349 12.355 218 HD3 LYS 24 3HD LYS 24 8.718 -6.693 12.550 219 HE2 LYS 24 2HE LYS 24 9.132 -8.625 14.858 220 HE3 LYS 24 3HE LYS 24 10.352 -7.486 14.299 221 HZ1 LYS 24 3HZ LYS 24 8.877 -5.668 14.849 222 HZ2 LYS 24 1HZ LYS 24 9.139 -6.647 16.202 223 HZ3 LYS 24 2HZ LYS 24 7.680 -6.749 15.359 224 H ALA 25 H ALA 25 3.648 -5.703 11.890 225 HA ALA 25 HA ALA 25 2.457 -4.322 14.161 226 HB1 ALA 25 3HB ALA 25 1.874 -2.584 12.505 227 HB2 ALA 25 1HB ALA 25 2.440 -3.632 11.195 228 HB3 ALA 25 2HB ALA 25 3.577 -3.024 12.398 229 H ASN 26 H ASN 26 1.519 -6.878 12.245 230 HA ASN 26 HA ASN 26 -0.356 -8.098 12.026 231 HB2 ASN 26 2HB ASN 26 -1.410 -6.189 14.151 232 HB3 ASN 26 3HB ASN 26 -2.393 -7.492 13.495 233 HD21 ASN 26 1HD2 ASN 26 1.081 -7.906 14.040 234 HD22 ASN 26 2HD2 ASN 26 0.910 -8.992 15.367 235 H LEU 27 H LEU 27 0.129 -5.448 10.528 236 HA LEU 27 HA LEU 27 -2.486 -4.803 9.435 237 HB2 LEU 27 2HB LEU 27 0.248 -3.952 8.389 238 HB3 LEU 27 3HB LEU 27 -1.303 -3.199 8.050 239 HG LEU 27 HG LEU 27 0.255 -3.119 10.655 240 HD11 LEU 27 1HD1 LEU 27 1.068 -1.575 8.973 241 HD12 LEU 27 2HD1 LEU 27 0.291 -0.690 10.279 242 HD13 LEU 27 3HD1 LEU 27 -0.551 -0.915 8.744 243 HD21 LEU 27 3HD2 LEU 27 -2.539 -2.051 10.174 244 HD22 LEU 27 1HD2 LEU 27 -1.547 -1.721 11.596 245 HD23 LEU 27 2HD2 LEU 27 -2.083 -3.364 11.259 246 H GLU 28 H GLU 28 -3.245 -5.479 7.422 247 HA GLU 28 HA GLU 28 -2.043 -7.940 6.409 248 HB2 GLU 28 2HB GLU 28 -4.738 -6.615 5.930 249 HB3 GLU 28 3HB GLU 28 -4.238 -8.104 5.136 250 HG2 GLU 28 2HG GLU 28 -4.537 -7.722 8.133 251 HG3 GLU 28 3HG GLU 28 -5.696 -8.533 7.083 252 H LEU 29 H LEU 29 -0.630 -7.838 4.809 253 HA LEU 29 HA LEU 29 -0.546 -5.492 3.014 254 HB2 LEU 29 2HB LEU 29 1.459 -5.841 4.378 255 HB3 LEU 29 3HB LEU 29 1.639 -7.478 3.788 256 HG LEU 29 HG LEU 29 1.684 -5.303 1.698 257 HD11 LEU 29 1HD1 LEU 29 4.026 -4.726 2.062 258 HD12 LEU 29 2HD1 LEU 29 4.063 -5.699 3.534 259 HD13 LEU 29 3HD1 LEU 29 3.042 -4.264 3.451 260 HD21 LEU 29 3HD2 LEU 29 3.450 -6.701 0.695 261 HD22 LEU 29 1HD2 LEU 29 1.983 -7.630 1.004 262 HD23 LEU 29 2HD2 LEU 29 3.376 -7.798 2.074 263 H ARG 30 H ARG 30 -1.123 -5.770 1.013 264 HA ARG 30 HA ARG 30 -1.379 -8.433 -0.232 265 HB2 ARG 30 2HB ARG 30 -2.995 -5.935 -0.903 266 HB3 ARG 30 3HB ARG 30 -3.328 -7.578 -1.420 267 HG2 ARG 30 2HG ARG 30 -3.481 -6.665 1.470 268 HG3 ARG 30 3HG ARG 30 -4.859 -6.642 0.374 269 HD2 ARG 30 2HD ARG 30 -3.296 -9.175 0.949 270 HD3 ARG 30 3HD ARG 30 -4.664 -8.651 1.938 271 HE ARG 30 HE ARG 30 -5.896 -8.609 -0.332 272 HH11 ARG 30 1HH1 ARG 30 -3.486 -11.035 0.545 273 HH12 ARG 30 2HH1 ARG 30 -4.191 -12.251 -0.470 274 HH21 ARG 30 1HH2 ARG 30 -6.812 -10.220 -1.627 275 HH22 ARG 30 2HH2 ARG 30 -6.069 -11.794 -1.694 276 H THR 31 H THR 31 0.068 -8.681 -1.910 277 HA THR 31 HA THR 31 1.882 -6.514 -2.510 278 HB THR 31 HB THR 31 3.104 -8.263 -3.860 279 HG1 THR 31 HG1 THR 31 1.379 -9.588 -4.495 280 HG21 THR 31 3HG2 THR 31 3.588 -7.987 -1.435 281 HG22 THR 31 1HG2 THR 31 3.773 -9.668 -1.949 282 HG23 THR 31 2HG2 THR 31 2.336 -9.173 -1.055 283 H VAL 32 H VAL 32 1.493 -5.040 -4.048 284 HA VAL 32 HA VAL 32 -0.155 -5.686 -6.402 285 HB VAL 32 HB VAL 32 0.755 -3.005 -5.245 286 HG11 VAL 32 1HG1 VAL 32 0.502 -2.855 -7.677 287 HG12 VAL 32 2HG1 VAL 32 -0.771 -1.956 -6.857 288 HG13 VAL 32 3HG1 VAL 32 -1.128 -3.530 -7.571 289 HG21 VAL 32 3HG2 VAL 32 -1.995 -4.315 -5.196 290 HG22 VAL 32 1HG2 VAL 32 -1.606 -2.705 -4.580 291 HG23 VAL 32 2HG2 VAL 32 -0.905 -4.133 -3.819 292 H LYS 33 H LYS 33 0.946 -6.245 -8.179 293 HA LYS 33 HA LYS 33 3.763 -5.543 -8.557 294 HB2 LYS 33 2HB LYS 33 1.907 -7.295 -10.235 295 HB3 LYS 33 3HB LYS 33 3.641 -7.108 -10.494 296 HG2 LYS 33 2HG LYS 33 4.117 -8.145 -8.320 297 HG3 LYS 33 3HG LYS 33 2.391 -8.248 -7.971 298 HD2 LYS 33 2HD LYS 33 3.148 -10.438 -8.662 299 HD3 LYS 33 3HD LYS 33 2.133 -9.787 -9.947 300 HE2 LYS 33 2HE LYS 33 4.209 -9.127 -11.181 301 HE3 LYS 33 3HE LYS 33 5.166 -9.898 -9.913 302 HZ1 LYS 33 3HZ LYS 33 4.124 -12.009 -10.439 303 HZ2 LYS 33 1HZ LYS 33 4.846 -11.359 -11.821 304 HZ3 LYS 33 2HZ LYS 33 3.168 -11.287 -11.634 305 H THR 34 H THR 34 0.626 -5.007 -10.139 306 HA THR 34 HA THR 34 1.719 -2.716 -11.658 307 HB THR 34 HB THR 34 0.238 -3.297 -13.589 308 HG1 THR 34 HG1 THR 34 -0.994 -5.097 -13.586 309 HG21 THR 34 3HG2 THR 34 2.599 -4.058 -13.662 310 HG22 THR 34 1HG2 THR 34 1.534 -5.197 -14.492 311 HG23 THR 34 2HG2 THR 34 2.135 -5.569 -12.875 312 H GLU 35 H GLU 35 -0.141 -1.351 -12.540 313 HA GLU 35 HA GLU 35 -1.669 -0.361 -10.373 314 HB2 GLU 35 2HB GLU 35 -2.457 1.349 -11.876 315 HB3 GLU 35 3HB GLU 35 -0.773 1.046 -12.255 316 HG2 GLU 35 2HG GLU 35 -3.177 0.121 -13.837 317 HG3 GLU 35 3HG GLU 35 -2.067 1.410 -14.282 318 H ASP 36 H ASP 36 -2.457 -2.597 -12.960 319 HA ASP 36 HA ASP 36 -5.271 -2.713 -12.600 320 HB2 ASP 36 2HB ASP 36 -4.083 -3.584 -14.607 321 HB3 ASP 36 3HB ASP 36 -3.369 -4.862 -13.634 322 H GLU 37 H GLU 37 -2.587 -4.483 -11.048 323 HA GLU 37 HA GLU 37 -4.155 -6.173 -9.369 324 HB2 GLU 37 2HB GLU 37 -1.389 -5.045 -8.749 325 HB3 GLU 37 3HB GLU 37 -2.132 -6.444 -7.987 326 HG2 GLU 37 2HG GLU 37 -1.248 -6.222 -10.871 327 HG3 GLU 37 3HG GLU 37 -0.443 -7.126 -9.592 328 H LEU 38 H LEU 38 -3.037 -2.870 -9.119 329 HA LEU 38 HA LEU 38 -3.672 -2.305 -6.429 330 HB2 LEU 38 2HB LEU 38 -2.269 -0.968 -8.184 331 HB3 LEU 38 3HB LEU 38 -3.787 -0.297 -8.729 332 HG LEU 38 HG LEU 38 -2.397 1.168 -7.194 333 HD11 LEU 38 1HD1 LEU 38 -4.762 1.657 -7.520 334 HD12 LEU 38 2HD1 LEU 38 -4.239 2.057 -5.888 335 HD13 LEU 38 3HD1 LEU 38 -5.185 0.593 -6.178 336 HD21 LEU 38 3HD2 LEU 38 -3.242 -0.781 -5.031 337 HD22 LEU 38 1HD2 LEU 38 -2.369 0.736 -4.800 338 HD23 LEU 38 2HD2 LEU 38 -1.607 -0.592 -5.669 339 H LYS 39 H LYS 39 -5.511 -1.939 -9.464 340 HA LYS 39 HA LYS 39 -7.916 -0.880 -8.470 341 HB2 LYS 39 2HB LYS 39 -7.388 -2.617 -10.916 342 HB3 LYS 39 3HB LYS 39 -8.922 -1.809 -10.607 343 HG2 LYS 39 2HG LYS 39 -7.919 0.370 -10.851 344 HG3 LYS 39 3HG LYS 39 -6.294 -0.322 -10.887 345 HD2 LYS 39 2HD LYS 39 -7.059 0.321 -13.156 346 HD3 LYS 39 3HD LYS 39 -6.770 -1.416 -13.039 347 HE2 LYS 39 2HE LYS 39 -9.244 -1.738 -12.709 348 HE3 LYS 39 3HE LYS 39 -9.462 -0.010 -12.994 349 HZ1 LYS 39 3HZ LYS 39 -8.563 -0.279 -15.202 350 HZ2 LYS 39 1HZ LYS 39 -9.858 -1.339 -14.979 351 HZ3 LYS 39 2HZ LYS 39 -8.275 -1.926 -14.936 352 H LYS 40 H LYS 40 -7.014 -4.314 -9.067 353 HA LYS 40 HA LYS 40 -9.552 -5.426 -8.484 354 HB2 LYS 40 2HB LYS 40 -8.557 -7.575 -8.653 355 HB3 LYS 40 3HB LYS 40 -7.593 -6.571 -9.725 356 HG2 LYS 40 2HG LYS 40 -5.922 -6.352 -7.823 357 HG3 LYS 40 3HG LYS 40 -6.841 -7.582 -6.969 358 HD2 LYS 40 2HD LYS 40 -5.485 -7.946 -9.667 359 HD3 LYS 40 3HD LYS 40 -4.848 -8.499 -8.123 360 HE2 LYS 40 2HE LYS 40 -6.814 -10.007 -7.881 361 HE3 LYS 40 3HE LYS 40 -7.382 -9.482 -9.472 362 HZ1 LYS 40 3HZ LYS 40 -6.121 -11.581 -9.554 363 HZ2 LYS 40 1HZ LYS 40 -4.749 -10.783 -8.966 364 HZ3 LYS 40 2HZ LYS 40 -5.392 -10.367 -10.474 365 H TYR 41 H TYR 41 -6.754 -4.708 -6.464 366 HA TYR 41 HA TYR 41 -7.836 -5.896 -4.076 367 HB2 TYR 41 2HB TYR 41 -5.432 -4.124 -4.606 368 HB3 TYR 41 3HB TYR 41 -5.925 -4.504 -2.957 369 HD1 TYR 41 HD1 TYR 41 -6.741 -7.254 -3.015 370 HD2 TYR 41 HD2 TYR 41 -3.470 -5.452 -5.085 371 HE1 TYR 41 HE1 TYR 41 -5.599 -9.410 -3.073 372 HE2 TYR 41 HE2 TYR 41 -2.316 -7.628 -5.146 373 HH TYR 41 HH TYR 41 -3.935 -10.559 -4.346 374 H LEU 42 H LEU 42 -7.964 -2.654 -5.477 375 HA LEU 42 HA LEU 42 -9.145 -1.333 -3.274 376 HB2 LEU 42 2HB LEU 42 -9.475 -0.814 -6.257 377 HB3 LEU 42 3HB LEU 42 -10.128 0.241 -5.015 378 HG LEU 42 HG LEU 42 -7.175 -0.312 -5.490 379 HD11 LEU 42 1HD1 LEU 42 -8.780 2.190 -6.069 380 HD12 LEU 42 2HD1 LEU 42 -8.155 1.049 -7.261 381 HD13 LEU 42 3HD1 LEU 42 -7.038 1.994 -6.282 382 HD21 LEU 42 3HD2 LEU 42 -7.567 0.098 -3.113 383 HD22 LEU 42 1HD2 LEU 42 -8.447 1.584 -3.487 384 HD23 LEU 42 2HD2 LEU 42 -6.720 1.458 -3.841 385 H GLU 43 H GLU 43 -10.607 -3.123 -5.995 386 HA GLU 43 HA GLU 43 -13.351 -2.751 -5.351 387 HB2 GLU 43 2HB GLU 43 -11.999 -5.022 -6.878 388 HB3 GLU 43 3HB GLU 43 -13.735 -4.720 -6.861 389 HG2 GLU 43 2HG GLU 43 -13.435 -2.595 -7.995 390 HG3 GLU 43 3HG GLU 43 -11.681 -2.744 -7.888 391 H GLU 44 H GLU 44 -10.996 -5.195 -4.481 392 HA GLU 44 HA GLU 44 -12.544 -7.015 -3.014 393 HB2 GLU 44 2HB GLU 44 -10.230 -7.445 -3.762 394 HB3 GLU 44 3HB GLU 44 -9.619 -6.173 -2.713 395 HG2 GLU 44 2HG GLU 44 -10.268 -7.493 -0.738 396 HG3 GLU 44 3HG GLU 44 -10.907 -8.759 -1.784 397 H PHE 45 H PHE 45 -10.739 -4.117 -1.972 398 HA PHE 45 HA PHE 45 -11.468 -4.275 0.773 399 HB2 PHE 45 2HB PHE 45 -10.312 -1.970 -0.838 400 HB3 PHE 45 3HB PHE 45 -10.450 -1.990 0.919 401 HD1 PHE 45 HD2 PHE 45 -9.691 -5.260 0.578 402 HD2 PHE 45 HD1 PHE 45 -7.876 -1.474 -0.260 403 HE1 PHE 45 HE2 PHE 45 -7.468 -6.292 0.690 404 HE2 PHE 45 HE1 PHE 45 -5.664 -2.525 -0.139 405 HZ PHE 45 HZ PHE 45 -5.453 -4.926 0.334 406 H ARG 46 H ARG 46 -13.135 -2.990 -1.951 407 HA ARG 46 HA ARG 46 -14.840 -1.153 -0.548 408 HB2 ARG 46 2HB ARG 46 -15.100 -2.512 -3.262 409 HB3 ARG 46 3HB ARG 46 -16.275 -1.346 -2.650 410 HG2 ARG 46 2HG ARG 46 -14.606 0.407 -2.599 411 HG3 ARG 46 3HG ARG 46 -13.332 -0.734 -3.029 412 HD2 ARG 46 2HD ARG 46 -14.004 0.622 -4.957 413 HD3 ARG 46 3HD ARG 46 -14.369 -1.085 -5.229 414 HE ARG 46 HE ARG 46 -16.667 0.042 -4.175 415 HH11 ARG 46 1HH1 ARG 46 -14.730 0.508 -7.088 416 HH12 ARG 46 2HH1 ARG 46 -16.087 1.032 -8.032 417 HH21 ARG 46 1HH2 ARG 46 -18.414 0.723 -5.435 418 HH22 ARG 46 2HH2 ARG 46 -18.165 1.150 -7.096 419 H LYS 47 H LYS 47 -14.942 -4.593 -1.306 420 HA LYS 47 HA LYS 47 -17.617 -5.197 -0.588 421 HB2 LYS 47 2HB LYS 47 -15.179 -7.019 -0.294 422 HB3 LYS 47 3HB LYS 47 -16.862 -7.533 -0.405 423 HG2 LYS 47 2HG LYS 47 -16.984 -6.696 -2.721 424 HG3 LYS 47 3HG LYS 47 -15.318 -6.128 -2.607 425 HD2 LYS 47 2HD LYS 47 -15.383 -8.236 -3.835 426 HD3 LYS 47 3HD LYS 47 -14.548 -8.477 -2.300 427 HE2 LYS 47 2HE LYS 47 -16.543 -9.528 -1.349 428 HE3 LYS 47 3HE LYS 47 -17.455 -9.198 -2.824 429 HZ1 LYS 47 3HZ LYS 47 -16.692 -11.473 -2.781 430 HZ2 LYS 47 1HZ LYS 47 -15.083 -10.983 -2.600 431 HZ3 LYS 47 2HZ LYS 47 -15.919 -10.645 -4.032 432 H GLU 48 H GLU 48 -14.775 -4.560 1.277 433 HA GLU 48 HA GLU 48 -16.107 -5.149 3.861 434 HB2 GLU 48 2HB GLU 48 -13.836 -5.745 4.704 435 HB3 GLU 48 3HB GLU 48 -14.308 -6.773 3.357 436 HG2 GLU 48 2HG GLU 48 -12.954 -5.297 1.833 437 HG3 GLU 48 3HG GLU 48 -12.378 -4.430 3.254 438 H SER 49 H SER 49 -16.081 -2.646 2.255 439 HA SER 49 HA SER 49 -14.088 -0.807 2.950 440 HB2 SER 49 2HB SER 49 -15.793 0.934 2.192 441 HB3 SER 49 3HB SER 49 -15.484 -0.375 1.055 442 HG SER 49 HG SER 49 -17.532 -0.762 1.121 443 H GLN 50 H GLN 50 -16.604 -1.906 4.991 444 HA GLN 50 HA GLN 50 -17.078 0.343 6.587 445 HB2 GLN 50 2HB GLN 50 -17.738 -1.465 8.369 446 HB3 GLN 50 3HB GLN 50 -18.672 -1.273 6.905 447 HG2 GLN 50 2HG GLN 50 -18.569 -3.565 7.106 448 HG3 GLN 50 3HG GLN 50 -17.258 -3.249 5.978 449 HE21 GLN 50 1HE2 GLN 50 -15.128 -3.624 6.664 450 HE22 GLN 50 2HE2 GLN 50 -14.771 -4.517 8.098 451 H ASN 51 H ASN 51 -15.653 1.529 7.585 452 HA ASN 51 HA ASN 51 -13.942 2.319 8.830 453 HB2 ASN 51 2HB ASN 51 -14.372 -0.320 10.287 454 HB3 ASN 51 3HB ASN 51 -13.229 0.889 10.851 455 HD21 ASN 51 1HD2 ASN 51 -16.614 0.132 10.427 456 HD22 ASN 51 2HD2 ASN 51 -17.214 1.401 11.432 457 H ILE 52 H ILE 52 -13.037 1.409 6.420 458 HA ILE 52 HA ILE 52 -10.593 -0.146 7.032 459 HB ILE 52 HB ILE 52 -12.223 -0.995 5.195 460 HG12 ILE 52 2HG1 ILE 52 -9.321 -0.624 4.304 461 HG13 ILE 52 3HG1 ILE 52 -9.796 -1.737 5.581 462 HG21 ILE 52 1HG2 ILE 52 -11.931 -0.054 2.928 463 HG22 ILE 52 2HG2 ILE 52 -10.913 1.231 3.591 464 HG23 ILE 52 3HG2 ILE 52 -12.618 1.139 4.038 465 HD11 ILE 52 3HD1 ILE 52 -9.477 -2.882 3.470 466 HD12 ILE 52 1HD1 ILE 52 -10.713 -1.878 2.712 467 HD13 ILE 52 2HD1 ILE 52 -11.152 -2.999 4.004 468 H LYS 53 H LYS 53 -8.632 0.667 6.610 469 HA LYS 53 HA LYS 53 -8.299 3.223 5.184 470 HB2 LYS 53 2HB LYS 53 -7.024 2.403 7.835 471 HB3 LYS 53 3HB LYS 53 -6.244 3.560 6.769 472 HG2 LYS 53 2HG LYS 53 -7.362 4.848 8.387 473 HG3 LYS 53 3HG LYS 53 -8.341 4.978 6.942 474 HD2 LYS 53 2HD LYS 53 -9.839 3.184 7.922 475 HD3 LYS 53 3HD LYS 53 -8.910 3.306 9.413 476 HE2 LYS 53 2HE LYS 53 -10.964 4.624 9.554 477 HE3 LYS 53 3HE LYS 53 -9.561 5.690 9.608 478 HZ1 LYS 53 3HZ LYS 53 -11.336 6.524 8.164 479 HZ2 LYS 53 1HZ LYS 53 -11.193 5.154 7.183 480 HZ3 LYS 53 2HZ LYS 53 -9.908 6.248 7.307 481 H VAL 54 H VAL 54 -6.843 3.022 3.599 482 HA VAL 54 HA VAL 54 -5.169 0.574 3.437 483 HB VAL 54 HB VAL 54 -6.264 2.239 1.126 484 HG11 VAL 54 1HG1 VAL 54 -4.161 1.119 0.548 485 HG12 VAL 54 2HG1 VAL 54 -5.509 0.391 -0.326 486 HG13 VAL 54 3HG1 VAL 54 -4.823 -0.431 1.077 487 HG21 VAL 54 3HG2 VAL 54 -7.849 0.395 0.701 488 HG22 VAL 54 1HG2 VAL 54 -8.102 1.094 2.304 489 HG23 VAL 54 2HG2 VAL 54 -7.261 -0.448 2.136 490 H LEU 55 H LEU 55 -3.015 0.804 3.044 491 HA LEU 55 HA LEU 55 -1.865 3.526 2.645 492 HB2 LEU 55 2HB LEU 55 -1.370 2.576 4.881 493 HB3 LEU 55 3HB LEU 55 -0.753 1.108 4.138 494 HG LEU 55 HG LEU 55 1.052 2.560 3.043 495 HD11 LEU 55 1HD1 LEU 55 0.144 4.636 5.043 496 HD12 LEU 55 2HD1 LEU 55 0.039 4.750 3.283 497 HD13 LEU 55 3HD1 LEU 55 1.615 4.697 4.067 498 HD21 LEU 55 3HD2 LEU 55 1.074 2.313 6.060 499 HD22 LEU 55 1HD2 LEU 55 2.487 2.543 5.025 500 HD23 LEU 55 2HD2 LEU 55 1.534 1.067 4.899 501 H ILE 56 H ILE 56 -1.334 3.606 0.501 502 HA ILE 56 HA ILE 56 -0.287 1.211 -0.855 503 HB ILE 56 HB ILE 56 -1.176 3.869 -2.094 504 HG12 ILE 56 2HG1 ILE 56 -2.566 1.147 -2.149 505 HG13 ILE 56 3HG1 ILE 56 -3.077 2.513 -1.173 506 HG21 ILE 56 1HG2 ILE 56 0.592 2.785 -3.426 507 HG22 ILE 56 2HG2 ILE 56 -0.951 2.706 -4.271 508 HG23 ILE 56 3HG2 ILE 56 -0.326 1.276 -3.449 509 HD11 ILE 56 3HD1 ILE 56 -4.457 2.240 -3.148 510 HD12 ILE 56 1HD1 ILE 56 -3.047 2.424 -4.192 511 HD13 ILE 56 2HD1 ILE 56 -3.593 3.775 -3.193 512 H LEU 57 H LEU 57 1.908 1.008 -0.716 513 HA LEU 57 HA LEU 57 3.634 3.423 -0.792 514 HB2 LEU 57 2HB LEU 57 4.433 0.538 -0.163 515 HB3 LEU 57 3HB LEU 57 5.515 1.916 -0.184 516 HG LEU 57 HG LEU 57 5.163 1.566 2.094 517 HD11 LEU 57 1HD1 LEU 57 3.099 3.661 1.369 518 HD12 LEU 57 2HD1 LEU 57 4.835 3.915 1.569 519 HD13 LEU 57 3HD1 LEU 57 3.853 3.444 2.952 520 HD21 LEU 57 3HD2 LEU 57 2.196 1.156 1.624 521 HD22 LEU 57 1HD2 LEU 57 3.045 1.037 3.168 522 HD23 LEU 57 2HD2 LEU 57 3.390 -0.120 1.886 523 H VAL 58 H VAL 58 4.228 3.960 -2.761 524 HA VAL 58 HA VAL 58 4.125 1.988 -4.947 525 HB VAL 58 HB VAL 58 3.920 3.883 -6.445 526 HG11 VAL 58 1HG1 VAL 58 1.777 4.853 -5.703 527 HG12 VAL 58 2HG1 VAL 58 2.070 4.264 -4.063 528 HG13 VAL 58 3HG1 VAL 58 1.841 3.119 -5.384 529 HG21 VAL 58 3HG2 VAL 58 5.452 5.439 -5.307 530 HG22 VAL 58 1HG2 VAL 58 4.254 5.699 -4.039 531 HG23 VAL 58 2HG2 VAL 58 3.921 6.207 -5.693 532 H SER 59 H SER 59 5.754 2.142 -6.648 533 HA SER 59 HA SER 59 8.440 2.289 -5.602 534 HB2 SER 59 2HB SER 59 9.042 1.443 -7.912 535 HB3 SER 59 3HB SER 59 7.858 0.439 -7.074 536 HG SER 59 HG SER 59 7.202 0.796 -9.193 537 H ASN 60 H ASN 60 6.704 3.853 -8.309 538 HA ASN 60 HA ASN 60 8.765 5.977 -8.443 539 HB2 ASN 60 2HB ASN 60 6.878 4.890 -10.573 540 HB3 ASN 60 3HB ASN 60 7.847 6.343 -10.800 541 HD21 ASN 60 1HD2 ASN 60 7.919 3.841 -12.295 542 HD22 ASN 60 2HD2 ASN 60 9.538 3.253 -12.162 543 H ASP 61 H ASP 61 8.061 8.096 -9.118 544 HA ASP 61 HA ASP 61 5.847 9.258 -7.789 545 HB2 ASP 61 2HB ASP 61 6.455 11.304 -9.032 546 HB3 ASP 61 3HB ASP 61 7.907 10.511 -8.433 547 H GLU 62 H GLU 62 6.286 7.911 -10.984 548 HA GLU 62 HA GLU 62 3.871 8.627 -12.233 549 HB2 GLU 62 2HB GLU 62 5.869 6.390 -12.537 550 HB3 GLU 62 3HB GLU 62 4.311 6.183 -13.323 551 HG2 GLU 62 2HG GLU 62 6.135 8.565 -13.773 552 HG3 GLU 62 3HG GLU 62 6.088 7.128 -14.796 553 H GLU 63 H GLU 63 4.693 5.827 -10.214 554 HA GLU 63 HA GLU 63 2.122 4.601 -10.277 555 HB2 GLU 63 2HB GLU 63 4.285 4.166 -8.178 556 HB3 GLU 63 3HB GLU 63 3.030 3.036 -8.666 557 HG2 GLU 63 2HG GLU 63 5.416 3.913 -10.310 558 HG3 GLU 63 3HG GLU 63 5.193 2.351 -9.541 559 H LEU 64 H LEU 64 3.686 6.953 -8.202 560 HA LEU 64 HA LEU 64 2.013 7.035 -5.987 561 HB2 LEU 64 2HB LEU 64 4.189 8.235 -6.196 562 HB3 LEU 64 3HB LEU 64 3.460 9.348 -7.341 563 HG LEU 64 HG LEU 64 1.935 10.171 -5.525 564 HD11 LEU 64 1HD1 LEU 64 3.575 8.393 -3.699 565 HD12 LEU 64 2HD1 LEU 64 1.871 8.189 -4.108 566 HD13 LEU 64 3HD1 LEU 64 2.386 9.596 -3.187 567 HD21 LEU 64 3HD2 LEU 64 4.894 10.369 -4.877 568 HD22 LEU 64 1HD2 LEU 64 3.630 11.470 -4.318 569 HD23 LEU 64 2HD2 LEU 64 4.012 11.370 -6.035 570 H ASP 65 H ASP 65 1.876 9.132 -8.897 571 HA ASP 65 HA ASP 65 -0.584 10.366 -8.283 572 HB2 ASP 65 2HB ASP 65 1.090 11.281 -9.927 573 HB3 ASP 65 3HB ASP 65 0.649 10.001 -11.054 574 H LYS 66 H LYS 66 0.252 7.475 -10.111 575 HA LYS 66 HA LYS 66 -2.143 6.970 -11.482 576 HB2 LYS 66 2HB LYS 66 0.271 5.861 -11.634 577 HB3 LYS 66 3HB LYS 66 -0.361 4.728 -10.456 578 HG2 LYS 66 2HG LYS 66 -0.563 3.742 -12.635 579 HG3 LYS 66 3HG LYS 66 -2.193 4.159 -12.094 580 HD2 LYS 66 2HD LYS 66 -2.220 6.137 -13.511 581 HD3 LYS 66 3HD LYS 66 -0.520 5.918 -13.935 582 HE2 LYS 66 2HE LYS 66 -2.009 5.210 -15.763 583 HE3 LYS 66 3HE LYS 66 -1.081 3.846 -15.141 584 HZ1 LYS 66 3HZ LYS 66 -3.051 3.226 -13.819 585 HZ2 LYS 66 1HZ LYS 66 -3.346 3.199 -15.481 586 HZ3 LYS 66 2HZ LYS 66 -3.920 4.479 -14.544 587 H ALA 67 H ALA 67 -0.959 5.776 -8.351 588 HA ALA 67 HA ALA 67 -3.273 4.194 -7.744 589 HB1 ALA 67 3HB ALA 67 -0.957 5.016 -5.962 590 HB2 ALA 67 1HB ALA 67 -1.038 3.561 -6.954 591 HB3 ALA 67 2HB ALA 67 -2.153 3.766 -5.602 592 H LYS 68 H LYS 68 -2.205 7.505 -6.889 593 HA LYS 68 HA LYS 68 -4.121 8.080 -4.893 594 HB2 LYS 68 2HB LYS 68 -2.862 9.957 -6.947 595 HB3 LYS 68 3HB LYS 68 -3.946 10.521 -5.680 596 HG2 LYS 68 2HG LYS 68 -2.314 9.592 -3.992 597 HG3 LYS 68 3HG LYS 68 -1.209 9.275 -5.323 598 HD2 LYS 68 2HD LYS 68 -2.286 12.024 -4.576 599 HD3 LYS 68 3HD LYS 68 -0.717 11.396 -4.084 600 HE2 LYS 68 2HE LYS 68 -0.311 12.848 -5.923 601 HE3 LYS 68 3HE LYS 68 -0.134 11.215 -6.554 602 HZ1 LYS 68 3HZ LYS 68 -2.328 11.396 -7.554 603 HZ2 LYS 68 1HZ LYS 68 -1.363 12.692 -8.052 604 HZ3 LYS 68 2HZ LYS 68 -2.552 12.925 -6.875 605 H GLU 69 H GLU 69 -4.248 8.425 -8.432 606 HA GLU 69 HA GLU 69 -6.818 9.654 -8.494 607 HB2 GLU 69 2HB GLU 69 -5.460 8.212 -10.812 608 HB3 GLU 69 3HB GLU 69 -6.785 9.362 -10.920 609 HG2 GLU 69 2HG GLU 69 -3.878 9.870 -10.366 610 HG3 GLU 69 3HG GLU 69 -4.915 10.608 -11.573 611 H LEU 70 H LEU 70 -5.715 6.288 -8.950 612 HA LEU 70 HA LEU 70 -8.173 5.090 -9.644 613 HB2 LEU 70 2HB LEU 70 -5.715 3.973 -8.237 614 HB3 LEU 70 3HB LEU 70 -7.089 2.959 -8.650 615 HG LEU 70 HG LEU 70 -5.397 4.485 -10.671 616 HD11 LEU 70 1HD1 LEU 70 -4.441 2.327 -11.306 617 HD12 LEU 70 2HD1 LEU 70 -5.367 1.510 -10.044 618 HD13 LEU 70 3HD1 LEU 70 -4.111 2.671 -9.608 619 HD21 LEU 70 3HD2 LEU 70 -6.608 3.186 -12.373 620 HD22 LEU 70 1HD2 LEU 70 -7.714 4.181 -11.425 621 HD23 LEU 70 2HD2 LEU 70 -7.608 2.447 -11.120 622 H ALA 71 H ALA 71 -6.629 5.539 -6.461 623 HA ALA 71 HA ALA 71 -8.532 4.247 -4.853 624 HB1 ALA 71 3HB ALA 71 -6.640 6.516 -4.150 625 HB2 ALA 71 1HB ALA 71 -6.264 4.795 -4.099 626 HB3 ALA 71 2HB ALA 71 -7.460 5.468 -2.988 627 H GLN 72 H GLN 72 -8.295 7.625 -5.913 628 HA GLN 72 HA GLN 72 -10.502 8.585 -4.339 629 HB2 GLN 72 2HB GLN 72 -8.950 9.838 -6.641 630 HB3 GLN 72 3HB GLN 72 -10.195 10.689 -5.724 631 HG2 GLN 72 2HG GLN 72 -8.893 10.505 -3.672 632 HG3 GLN 72 3HG GLN 72 -7.701 9.485 -4.480 633 HE21 GLN 72 1HE2 GLN 72 -5.994 10.883 -3.985 634 HE22 GLN 72 2HE2 GLN 72 -5.803 12.422 -4.743 635 H LYS 73 H LYS 73 -10.177 7.379 -7.674 636 HA LYS 73 HA LYS 73 -12.845 8.022 -8.500 637 HB2 LYS 73 2HB LYS 73 -10.895 5.929 -9.561 638 HB3 LYS 73 3HB LYS 73 -12.438 6.305 -10.322 639 HG2 LYS 73 2HG LYS 73 -10.121 8.220 -9.958 640 HG3 LYS 73 3HG LYS 73 -10.557 7.416 -11.457 641 HD2 LYS 73 2HD LYS 73 -12.500 9.272 -10.042 642 HD3 LYS 73 3HD LYS 73 -11.253 9.900 -11.114 643 HE2 LYS 73 2HE LYS 73 -13.365 9.687 -12.309 644 HE3 LYS 73 3HE LYS 73 -12.184 8.564 -12.979 645 HZ1 LYS 73 3HZ LYS 73 -14.393 7.579 -12.733 646 HZ2 LYS 73 1HZ LYS 73 -14.338 7.835 -11.062 647 HZ3 LYS 73 2HZ LYS 73 -13.250 6.767 -11.791 648 H MET 74 H MET 74 -11.402 5.327 -6.792 649 HA MET 74 HA MET 74 -13.882 3.816 -6.505 650 HB2 MET 74 2HB MET 74 -11.183 3.538 -5.105 651 HB3 MET 74 3HB MET 74 -12.525 2.412 -4.938 652 HG2 MET 74 2HG MET 74 -11.186 2.982 -7.577 653 HG3 MET 74 3HG MET 74 -10.666 1.707 -6.477 654 HE1 MET 74 3HE MET 74 -11.186 0.797 -9.288 655 HE2 MET 74 1HE MET 74 -12.299 -0.553 -9.085 656 HE3 MET 74 2HE MET 74 -10.961 -0.339 -7.953 657 H GLU 75 H GLU 75 -12.635 6.602 -5.174 658 HA GLU 75 HA GLU 75 -12.972 7.954 -3.417 659 HB2 GLU 75 2HB GLU 75 -15.553 6.366 -3.147 660 HB3 GLU 75 3HB GLU 75 -15.224 7.878 -2.306 661 HG2 GLU 75 2HG GLU 75 -14.988 9.020 -4.509 662 HG3 GLU 75 3HG GLU 75 -15.413 7.513 -5.312 663 H ILE 76 H ILE 76 -11.775 5.127 -2.896 664 HA ILE 76 HA ILE 76 -12.367 4.472 -0.170 665 HB ILE 76 HB ILE 76 -9.973 3.586 -1.861 666 HG12 ILE 76 2HG1 ILE 76 -12.650 2.190 -1.395 667 HG13 ILE 76 3HG1 ILE 76 -12.129 2.938 -2.899 668 HG21 ILE 76 1HG2 ILE 76 -9.573 3.256 0.565 669 HG22 ILE 76 2HG2 ILE 76 -9.737 1.711 -0.268 670 HG23 ILE 76 3HG2 ILE 76 -11.078 2.339 0.694 671 HD11 ILE 76 3HD1 ILE 76 -10.305 1.291 -3.056 672 HD12 ILE 76 1HD1 ILE 76 -11.907 0.561 -3.043 673 HD13 ILE 76 2HD1 ILE 76 -10.912 0.512 -1.591 674 H ASP 77 H ASP 77 -11.380 5.118 1.644 675 HA ASP 77 HA ASP 77 -9.674 7.392 1.721 676 HB2 ASP 77 2HB ASP 77 -11.321 7.037 3.449 677 HB3 ASP 77 3HB ASP 77 -10.654 5.455 3.837 678 H VAL 78 H VAL 78 -7.643 7.210 1.033 679 HA VAL 78 HA VAL 78 -5.902 4.962 1.895 680 HB VAL 78 HB VAL 78 -6.065 6.157 -0.918 681 HG11 VAL 78 1HG1 VAL 78 -4.408 4.471 -1.575 682 HG12 VAL 78 2HG1 VAL 78 -4.254 3.947 0.102 683 HG13 VAL 78 3HG1 VAL 78 -3.758 5.576 -0.366 684 HG21 VAL 78 3HG2 VAL 78 -6.810 3.912 -1.660 685 HG22 VAL 78 1HG2 VAL 78 -7.945 4.642 -0.523 686 HG23 VAL 78 2HG2 VAL 78 -6.852 3.376 0.017 687 H ARG 79 H ARG 79 -3.790 5.491 2.345 688 HA ARG 79 HA ARG 79 -2.800 8.252 1.934 689 HB2 ARG 79 2HB ARG 79 -1.546 6.042 3.649 690 HB3 ARG 79 3HB ARG 79 -0.981 7.698 3.506 691 HG2 ARG 79 2HG ARG 79 -2.004 7.566 5.614 692 HG3 ARG 79 3HG ARG 79 -3.177 8.406 4.602 693 HD2 ARG 79 2HD ARG 79 -4.577 6.468 4.468 694 HD3 ARG 79 3HD ARG 79 -3.315 5.423 5.125 695 HE ARG 79 HE ARG 79 -3.594 6.570 7.269 696 HH11 ARG 79 1HH1 ARG 79 -6.236 6.851 4.972 697 HH12 ARG 79 2HH1 ARG 79 -7.420 7.179 6.197 698 HH21 ARG 79 1HH2 ARG 79 -5.132 6.977 8.838 699 HH22 ARG 79 2HH2 ARG 79 -6.791 7.255 8.390 700 H THR 80 H THR 80 -1.725 8.356 -0.012 701 HA THR 80 HA THR 80 -0.342 5.931 -1.036 702 HB THR 80 HB THR 80 -1.153 8.386 -2.674 703 HG1 THR 80 HG1 THR 80 -2.703 6.405 -1.672 704 HG21 THR 80 3HG2 THR 80 0.618 6.954 -3.690 705 HG22 THR 80 1HG2 THR 80 -0.891 6.858 -4.602 706 HG23 THR 80 2HG2 THR 80 -0.428 5.544 -3.519 707 H ARG 81 H ARG 81 1.796 5.988 -0.658 708 HA ARG 81 HA ARG 81 3.298 8.546 -0.610 709 HB2 ARG 81 2HB ARG 81 3.586 6.209 1.351 710 HB3 ARG 81 3HB ARG 81 4.658 7.605 1.297 711 HG2 ARG 81 2HG ARG 81 1.703 7.655 1.974 712 HG3 ARG 81 3HG ARG 81 3.036 7.804 3.121 713 HD2 ARG 81 2HD ARG 81 3.714 9.925 2.134 714 HD3 ARG 81 3HD ARG 81 2.513 9.759 0.848 715 HE ARG 81 HE ARG 81 1.946 10.275 3.705 716 HH11 ARG 81 1HH1 ARG 81 0.901 10.364 0.337 717 HH12 ARG 81 2HH1 ARG 81 -0.548 11.254 0.686 718 HH21 ARG 81 1HH2 ARG 81 0.060 11.438 4.143 719 HH22 ARG 81 2HH2 ARG 81 -1.022 11.861 2.854 720 H LYS 82 H LYS 82 5.242 8.504 -1.651 721 HA LYS 82 HA LYS 82 5.978 6.154 -3.199 722 HB2 LYS 82 2HB LYS 82 6.043 8.480 -4.181 723 HB3 LYS 82 3HB LYS 82 7.353 8.876 -3.072 724 HG2 LYS 82 2HG LYS 82 8.738 7.069 -4.122 725 HG3 LYS 82 3HG LYS 82 7.434 6.794 -5.282 726 HD2 LYS 82 2HD LYS 82 9.184 8.214 -6.272 727 HD3 LYS 82 3HD LYS 82 7.676 9.118 -6.113 728 HE2 LYS 82 2HE LYS 82 8.563 10.161 -4.025 729 HE3 LYS 82 3HE LYS 82 10.078 9.292 -4.260 730 HZ1 LYS 82 3HZ LYS 82 10.413 10.479 -6.322 731 HZ2 LYS 82 1HZ LYS 82 10.209 11.573 -5.052 732 HZ3 LYS 82 2HZ LYS 82 8.946 11.295 -6.141 733 H VAL 83 H VAL 83 7.408 4.706 -2.533 734 HA VAL 83 HA VAL 83 9.468 5.435 -0.532 735 HB VAL 83 HB VAL 83 9.596 3.072 0.101 736 HG11 VAL 83 1HG1 VAL 83 7.363 2.858 1.179 737 HG12 VAL 83 2HG1 VAL 83 6.751 4.151 0.147 738 HG13 VAL 83 3HG1 VAL 83 8.032 4.484 1.316 739 HG21 VAL 83 3HG2 VAL 83 7.364 2.532 -1.913 740 HG22 VAL 83 1HG2 VAL 83 8.007 1.363 -0.752 741 HG23 VAL 83 2HG2 VAL 83 9.035 1.983 -2.042 742 H THR 84 H THR 84 11.569 5.064 -1.029 743 HA THR 84 HA THR 84 12.253 4.159 -3.773 744 HB THR 84 HB THR 84 13.795 6.243 -2.154 745 HG1 THR 84 HG1 THR 84 11.484 6.517 -3.762 746 HG21 THR 84 3HG2 THR 84 14.630 6.969 -4.347 747 HG22 THR 84 1HG2 THR 84 13.643 5.754 -5.157 748 HG23 THR 84 2HG2 THR 84 14.984 5.253 -4.119 749 H SER 85 H SER 85 12.797 3.885 -0.366 750 HA SER 85 HA SER 85 14.595 1.577 -0.818 751 HB2 SER 85 2HB SER 85 15.773 2.134 1.329 752 HB3 SER 85 3HB SER 85 15.979 3.397 0.117 753 HG SER 85 HG SER 85 14.276 4.545 1.152 754 HA PRO 86 HA PRO 86 11.613 -0.851 1.547 755 HB2 PRO 86 2HB PRO 86 13.384 -2.332 3.197 756 HB3 PRO 86 3HB PRO 86 12.874 -2.767 1.560 757 HG2 PRO 86 2HG PRO 86 15.373 -1.383 2.432 758 HG3 PRO 86 3HG PRO 86 15.142 -2.618 1.171 759 HD2 PRO 86 2HD PRO 86 15.458 -0.053 0.499 760 HD3 PRO 86 3HD PRO 86 14.292 -1.073 -0.378 761 H ASP 87 H ASP 87 14.180 0.765 3.427 762 HA ASP 87 HA ASP 87 13.016 0.507 5.981 763 HB2 ASP 87 2HB ASP 87 14.939 2.637 4.952 764 HB3 ASP 87 3HB ASP 87 14.511 2.429 6.650 765 H GLU 88 H GLU 88 12.490 2.917 3.461 766 HA GLU 88 HA GLU 88 10.870 4.690 5.021 767 HB2 GLU 88 2HB GLU 88 10.971 4.304 1.993 768 HB3 GLU 88 3HB GLU 88 10.198 5.654 2.826 769 HG2 GLU 88 2HG GLU 88 12.373 6.358 3.736 770 HG3 GLU 88 3HG GLU 88 13.155 4.996 2.934 771 H ALA 89 H ALA 89 10.177 1.908 2.914 772 HA ALA 89 HA ALA 89 7.344 2.059 2.923 773 HB1 ALA 89 3HB ALA 89 9.101 -0.405 2.603 774 HB2 ALA 89 1HB ALA 89 8.604 0.681 1.306 775 HB3 ALA 89 2HB ALA 89 7.395 -0.285 2.158 776 H LYS 90 H LYS 90 9.621 0.243 4.937 777 HA LYS 90 HA LYS 90 7.902 -1.046 6.714 778 HB2 LYS 90 2HB LYS 90 10.752 -0.001 7.020 779 HB3 LYS 90 3HB LYS 90 9.977 -1.066 8.189 780 HG2 LYS 90 2HG LYS 90 9.994 -2.915 6.712 781 HG3 LYS 90 3HG LYS 90 10.248 -1.895 5.293 782 HD2 LYS 90 2HD LYS 90 12.295 -3.178 5.945 783 HD3 LYS 90 3HD LYS 90 12.541 -1.432 5.944 784 HE2 LYS 90 2HE LYS 90 12.190 -1.481 8.452 785 HE3 LYS 90 3HE LYS 90 12.195 -3.243 8.351 786 HZ1 LYS 90 3HZ LYS 90 14.427 -1.477 7.466 787 HZ2 LYS 90 1HZ LYS 90 14.428 -3.168 7.451 788 HZ3 LYS 90 2HZ LYS 90 14.383 -2.335 8.921 789 H ARG 91 H ARG 91 9.457 2.156 6.830 790 HA ARG 91 HA ARG 91 8.683 2.879 9.435 791 HB2 ARG 91 2HB ARG 91 10.499 4.022 8.133 792 HB3 ARG 91 3HB ARG 91 9.274 4.764 7.107 793 HG2 ARG 91 2HG ARG 91 8.376 6.011 9.009 794 HG3 ARG 91 3HG ARG 91 9.482 5.191 10.112 795 HD2 ARG 91 2HD ARG 91 11.405 6.216 8.854 796 HD3 ARG 91 3HD ARG 91 10.232 7.119 7.888 797 HE ARG 91 HE ARG 91 9.477 7.971 10.227 798 HH11 ARG 91 1HH1 ARG 91 12.835 7.427 9.254 799 HH12 ARG 91 2HH1 ARG 91 13.463 8.634 10.328 800 HH21 ARG 91 1HH2 ARG 91 10.344 9.552 11.627 801 HH22 ARG 91 2HH2 ARG 91 12.057 9.832 11.664 802 H TRP 92 H TRP 92 7.222 3.900 6.262 803 HA TRP 92 HA TRP 92 5.036 5.235 7.246 804 HB2 TRP 92 2HB TRP 92 5.359 3.647 4.677 805 HB3 TRP 92 3HB TRP 92 3.904 4.572 5.024 806 HD1 TRP 92 HD1 TRP 92 7.037 4.950 3.202 807 HE1 TRP 92 HE1 TRP 92 7.562 7.420 2.741 808 HE3 TRP 92 HE3 TRP 92 3.741 7.124 6.470 809 HZ2 TRP 92 HZ2 TRP 92 6.705 9.946 3.622 810 HZ3 TRP 92 HZ3 TRP 92 3.655 9.583 6.591 811 HH2 TRP 92 HH2 TRP 92 5.111 10.964 5.192 812 H ILE 93 H ILE 93 5.429 1.725 6.958 813 HA ILE 93 HA ILE 93 2.696 0.996 7.391 814 HB ILE 93 HB ILE 93 5.328 -0.508 7.687 815 HG12 ILE 93 2HG1 ILE 93 3.027 -0.827 5.700 816 HG13 ILE 93 3HG1 ILE 93 4.529 0.031 5.385 817 HG21 ILE 93 1HG2 ILE 93 4.112 -2.619 8.038 818 HG22 ILE 93 2HG2 ILE 93 2.587 -1.740 8.135 819 HG23 ILE 93 3HG2 ILE 93 3.823 -1.492 9.368 820 HD11 ILE 93 3HD1 ILE 93 4.586 -2.125 4.355 821 HD12 ILE 93 1HD1 ILE 93 4.230 -2.924 5.888 822 HD13 ILE 93 2HD1 ILE 93 5.766 -2.078 5.665 823 H LYS 94 H LYS 94 5.515 1.326 9.549 824 HA LYS 94 HA LYS 94 4.292 0.856 12.028 825 HB2 LYS 94 2HB LYS 94 6.701 0.935 11.855 826 HB3 LYS 94 3HB LYS 94 6.667 2.568 11.201 827 HG2 LYS 94 2HG LYS 94 5.782 3.359 13.429 828 HG3 LYS 94 3HG LYS 94 6.055 1.728 14.052 829 HD2 LYS 94 2HD LYS 94 8.448 1.913 13.710 830 HD3 LYS 94 3HD LYS 94 8.258 3.413 12.793 831 HE2 LYS 94 2HE LYS 94 7.684 3.051 15.754 832 HE3 LYS 94 3HE LYS 94 9.069 3.888 15.047 833 HZ1 LYS 94 3HZ LYS 94 7.410 5.478 15.701 834 HZ2 LYS 94 1HZ LYS 94 6.222 4.688 14.799 835 HZ3 LYS 94 2HZ LYS 94 7.502 5.452 14.013 836 H GLU 95 H GLU 95 4.631 3.905 10.158 837 HA GLU 95 HA GLU 95 3.594 5.656 12.140 838 HB2 GLU 95 2HB GLU 95 3.691 6.110 9.119 839 HB3 GLU 95 3HB GLU 95 3.511 7.352 10.349 840 HG2 GLU 95 2HG GLU 95 5.958 5.664 9.810 841 HG3 GLU 95 3HG GLU 95 5.771 7.382 9.497 842 H PHE 96 H PHE 96 2.177 3.936 9.427 843 HA PHE 96 HA PHE 96 -0.434 5.052 9.403 844 HB2 PHE 96 2HB PHE 96 0.467 3.898 7.462 845 HB3 PHE 96 3HB PHE 96 0.711 2.420 8.378 846 HD1 PHE 96 HD1 PHE 96 -2.063 4.728 7.296 847 HD2 PHE 96 HD2 PHE 96 -0.868 0.713 8.127 848 HE1 PHE 96 HE1 PHE 96 -4.244 3.904 6.512 849 HE2 PHE 96 HE2 PHE 96 -3.050 -0.103 7.347 850 HZ PHE 96 HZ PHE 96 -4.742 1.497 6.548 851 H SER 97 H SER 97 1.007 2.268 11.004 852 HA SER 97 HA SER 97 -1.317 1.127 12.137 853 HB2 SER 97 2HB SER 97 0.836 -0.091 11.925 854 HB3 SER 97 3HB SER 97 1.579 0.990 13.105 855 HG SER 97 HG SER 97 -0.732 -0.531 13.689 856 H GLU 98 H GLU 98 0.974 3.596 13.252 857 HA GLU 98 HA GLU 98 -0.076 3.866 15.910 858 HB2 GLU 98 2HB GLU 98 1.771 5.684 14.292 859 HB3 GLU 98 3HB GLU 98 1.426 5.881 16.010 860 HG2 GLU 98 2HG GLU 98 2.464 3.760 16.532 861 HG3 GLU 98 3HG GLU 98 2.696 3.397 14.822 862 H GLU 99 H GLU 99 -0.553 5.647 12.841 863 HA GLU 99 HA GLU 99 -2.013 7.762 14.153 864 HB2 GLU 99 2HB GLU 99 -2.278 8.803 11.968 865 HB3 GLU 99 3HB GLU 99 -0.618 8.335 12.242 866 HG2 GLU 99 2HG GLU 99 -0.957 7.897 9.985 867 HG3 GLU 99 3HG GLU 99 -1.122 6.308 10.731 868 H GLY 100 H GLY 100 -2.937 5.135 11.910 869 HA2 GLY 100 2HA GLY 100 -4.878 3.982 11.582 870 HA3 GLY 100 3HA GLY 100 -5.077 4.142 13.314 871 H GLY 101 H GLY 101 -5.201 6.776 10.936 872 HA2 GLY 101 2HA GLY 101 -7.368 7.541 9.992 873 HA3 GLY 101 3HA GLY 101 -8.082 7.227 11.566 874 H SER 102 H SER 102 -5.062 8.489 12.154 875 HA SER 102 HA SER 102 -6.072 10.903 13.255 876 HB2 SER 102 2HB SER 102 -4.102 9.776 14.210 877 HB3 SER 102 3HB SER 102 -3.188 10.064 12.732 878 HG SER 102 HG SER 102 -3.104 12.209 13.188 879 H LEU 103 H LEU 103 -4.335 10.167 10.255 880 HA LEU 103 HA LEU 103 -3.709 12.782 9.408 881 HB2 LEU 103 2HB LEU 103 -4.145 10.247 7.784 882 HB3 LEU 103 3HB LEU 103 -3.497 11.731 7.105 883 HG LEU 103 HG LEU 103 -2.172 10.102 9.314 884 HD11 LEU 103 1HD1 LEU 103 -1.410 10.299 6.382 885 HD12 LEU 103 2HD1 LEU 103 -2.104 8.894 7.194 886 HD13 LEU 103 3HD1 LEU 103 -0.498 9.459 7.641 887 HD21 LEU 103 3HD2 LEU 103 -0.221 11.569 8.972 888 HD22 LEU 103 1HD2 LEU 103 -1.633 12.470 9.524 889 HD23 LEU 103 2HD2 LEU 103 -1.148 12.544 7.829 890 H GLU 104 H GLU 104 -6.731 11.155 9.421 891 HA GLU 104 HA GLU 104 -8.062 12.972 7.525 892 HB2 GLU 104 2HB GLU 104 -9.232 10.818 9.335 893 HB3 GLU 104 3HB GLU 104 -10.052 11.605 7.993 894 HG2 GLU 104 2HG GLU 104 -8.863 10.386 6.384 895 HG3 GLU 104 3HG GLU 104 -7.562 9.985 7.509 896 H HIS 105 H HIS 105 -8.247 12.028 10.957 897 HA HIS 105 HA HIS 105 -10.423 13.948 11.423 898 HB2 HIS 105 2HB HIS 105 -9.443 11.613 13.132 899 HB3 HIS 105 3HB HIS 105 -10.871 12.592 13.450 900 HD1 HIS 105 HD1 HIS 105 -12.816 12.382 11.575 901 HD2 HIS 105 HD2 HIS 105 -9.911 9.409 11.543 902 HE1 HIS 105 HE1 HIS 105 -13.820 10.467 10.300 903 HE2 HIS 105 HE2 HIS 105 -11.953 8.800 10.083 904 H HIS 106 H HIS 106 -9.811 15.874 12.215 905 HA HIS 106 HA HIS 106 -9.344 17.382 13.819 906 HB2 HIS 106 2HB HIS 106 -10.253 15.537 15.295 907 HB3 HIS 106 3HB HIS 106 -8.600 15.025 15.601 908 HD1 HIS 106 HD1 HIS 106 -7.639 15.949 17.701 909 HD2 HIS 106 HD2 HIS 106 -10.640 18.393 16.188 910 HE1 HIS 106 HE1 HIS 106 -7.933 17.784 19.388 911 HE2 HIS 106 HE2 HIS 106 -9.791 19.213 18.485 912 H HIS 107 H HIS 107 -6.976 15.870 12.228 913 HA HIS 107 HA HIS 107 -4.617 16.235 13.773 914 HB2 HIS 107 2HB HIS 107 -3.364 15.769 11.738 915 HB3 HIS 107 3HB HIS 107 -4.742 14.681 11.831 916 HD1 HIS 107 HD1 HIS 107 -3.092 17.052 9.630 917 HD2 HIS 107 HD2 HIS 107 -6.918 15.472 9.990 918 HE1 HIS 107 HE1 HIS 107 -4.207 17.486 7.425 919 HE2 HIS 107 HE2 HIS 107 -6.547 16.596 7.697 920 H HIS 108 H HIS 108 -6.398 18.368 11.640 921 HA HIS 108 HA HIS 108 -4.509 20.549 11.777 922 HB2 HIS 108 2HB HIS 108 -6.224 20.325 9.924 923 HB3 HIS 108 3HB HIS 108 -7.493 20.648 11.099 924 HD1 HIS 108 HD1 HIS 108 -5.434 22.320 8.676 925 HD2 HIS 108 HD2 HIS 108 -7.056 23.401 12.353 926 HE1 HIS 108 HE1 HIS 108 -5.400 24.829 8.724 927 HE2 HIS 108 HE2 HIS 108 -6.356 25.453 10.959 928 H HIS 109 H HIS 109 -4.044 20.692 13.983 929 HA HIS 109 HA HIS 109 -5.993 21.000 16.043 930 HB2 HIS 109 2HB HIS 109 -3.697 20.217 16.539 931 HB3 HIS 109 3HB HIS 109 -3.038 21.769 16.029 932 HD1 HIS 109 HD1 HIS 109 -2.476 23.226 17.952 933 HD2 HIS 109 HD2 HIS 109 -5.669 20.718 18.854 934 HE1 HIS 109 HE1 HIS 109 -3.098 23.754 20.325 935 HE2 HIS 109 HE2 HIS 109 -5.149 22.367 20.773 936 H HIS 110 H HIS 110 -7.412 22.586 15.625 937 HA HIS 110 HA HIS 110 -6.538 25.342 15.114 938 HB2 HIS 110 2HB HIS 110 -9.035 25.777 14.829 939 HB3 HIS 110 3HB HIS 110 -8.326 24.673 13.661 940 HD1 HIS 110 HD1 HIS 110 -8.939 22.116 13.940 941 HD2 HIS 110 HD2 HIS 110 -11.153 24.733 16.292 942 HE1 HIS 110 HE1 HIS 110 -10.911 20.795 14.740 943 HE2 HIS 110 HE2 HIS 110 -12.154 22.349 16.274 Start of MODEL 14 1 H1 MET 1 1H MET 1 -11.460 -2.526 13.081 2 H2 MET 1 2H MET 1 -11.419 -1.181 14.105 3 H3 MET 1 3H MET 1 -10.014 -2.086 13.842 4 HA MET 1 HA MET 1 -11.475 -0.550 11.772 5 HB2 MET 1 2HB MET 1 -10.245 0.805 13.591 6 HB3 MET 1 3HB MET 1 -8.752 0.109 12.984 7 HG2 MET 1 2HG MET 1 -8.933 2.277 12.024 8 HG3 MET 1 3HG MET 1 -9.331 1.143 10.728 9 HE1 MET 1 3HE MET 1 -10.053 4.290 10.620 10 HE2 MET 1 1HE MET 1 -11.717 4.263 10.034 11 HE3 MET 1 2HE MET 1 -10.512 3.195 9.312 12 H LEU 2 H LEU 2 -11.284 -1.753 9.972 13 HA LEU 2 HA LEU 2 -9.430 -3.744 9.371 14 HB2 LEU 2 2HB LEU 2 -10.907 -1.974 7.388 15 HB3 LEU 2 3HB LEU 2 -10.161 -3.513 7.015 16 HG LEU 2 HG LEU 2 -12.591 -3.088 8.792 17 HD11 LEU 2 1HD1 LEU 2 -12.370 -4.350 6.037 18 HD12 LEU 2 2HD1 LEU 2 -13.073 -2.774 6.410 19 HD13 LEU 2 3HD1 LEU 2 -13.836 -4.239 7.018 20 HD21 LEU 2 3HD2 LEU 2 -11.288 -4.972 9.651 21 HD22 LEU 2 1HD2 LEU 2 -11.224 -5.699 8.043 22 HD23 LEU 2 2HD2 LEU 2 -12.766 -5.550 8.890 23 H LEU 3 H LEU 3 -7.231 -3.527 9.193 24 HA LEU 3 HA LEU 3 -6.124 -1.129 7.842 25 HB2 LEU 3 2HB LEU 3 -4.790 -2.969 9.878 26 HB3 LEU 3 3HB LEU 3 -4.039 -1.579 9.108 27 HG LEU 3 HG LEU 3 -6.361 -1.508 11.072 28 HD11 LEU 3 1HD1 LEU 3 -4.201 -1.930 12.146 29 HD12 LEU 3 2HD1 LEU 3 -4.819 -0.338 12.569 30 HD13 LEU 3 3HD1 LEU 3 -3.520 -0.491 11.382 31 HD21 LEU 3 3HD2 LEU 3 -6.216 0.944 10.950 32 HD22 LEU 3 1HD2 LEU 3 -6.688 0.233 9.409 33 HD23 LEU 3 2HD2 LEU 3 -5.037 0.813 9.641 34 H TYR 4 H TYR 4 -5.585 -1.545 5.831 35 HA TYR 4 HA TYR 4 -4.316 -4.101 5.052 36 HB2 TYR 4 2HB TYR 4 -6.255 -2.377 3.428 37 HB3 TYR 4 3HB TYR 4 -5.360 -3.752 2.777 38 HD1 TYR 4 HD1 TYR 4 -5.804 -6.073 3.728 39 HD2 TYR 4 HD2 TYR 4 -8.323 -2.742 4.637 40 HE1 TYR 4 HE1 TYR 4 -7.550 -7.605 4.511 41 HE2 TYR 4 HE2 TYR 4 -10.069 -4.290 5.409 42 HH TYR 4 HH TYR 4 -10.737 -6.588 5.185 43 H VAL 5 H VAL 5 -2.676 -3.959 3.567 44 HA VAL 5 HA VAL 5 -1.539 -1.306 2.895 45 HB VAL 5 HB VAL 5 -0.055 -3.763 4.010 46 HG11 VAL 5 1HG1 VAL 5 1.168 -1.188 2.952 47 HG12 VAL 5 2HG1 VAL 5 1.294 -2.783 2.209 48 HG13 VAL 5 3HG1 VAL 5 2.039 -2.483 3.777 49 HG21 VAL 5 3HG2 VAL 5 -1.112 -2.370 5.751 50 HG22 VAL 5 1HG2 VAL 5 -0.292 -0.934 5.132 51 HG23 VAL 5 2HG2 VAL 5 0.643 -2.254 5.843 52 H LEU 6 H LEU 6 -1.411 -1.155 0.716 53 HA LEU 6 HA LEU 6 -1.032 -3.577 -0.957 54 HB2 LEU 6 2HB LEU 6 -2.043 -0.803 -1.725 55 HB3 LEU 6 3HB LEU 6 -1.822 -2.138 -2.844 56 HG LEU 6 HG LEU 6 -3.861 -1.958 -0.605 57 HD11 LEU 6 1HD1 LEU 6 -5.533 -2.042 -2.407 58 HD12 LEU 6 2HD1 LEU 6 -4.247 -2.069 -3.617 59 HD13 LEU 6 3HD1 LEU 6 -4.465 -0.650 -2.589 60 HD21 LEU 6 3HD2 LEU 6 -3.063 -4.244 -0.689 61 HD22 LEU 6 1HD2 LEU 6 -3.301 -4.305 -2.439 62 HD23 LEU 6 2HD2 LEU 6 -4.688 -4.162 -1.357 63 H ILE 7 H ILE 7 1.118 -3.851 -1.449 64 HA ILE 7 HA ILE 7 2.811 -1.430 -1.597 65 HB ILE 7 HB ILE 7 3.550 -2.987 0.121 66 HG12 ILE 7 2HG1 ILE 7 5.489 -3.035 -2.241 67 HG13 ILE 7 3HG1 ILE 7 5.232 -1.649 -1.189 68 HG21 ILE 7 1HG2 ILE 7 4.385 -5.254 -0.331 69 HG22 ILE 7 2HG2 ILE 7 3.897 -5.107 -2.019 70 HG23 ILE 7 3HG2 ILE 7 2.674 -5.113 -0.750 71 HD11 ILE 7 3HD1 ILE 7 7.252 -2.826 -0.606 72 HD12 ILE 7 1HD1 ILE 7 6.347 -4.319 -0.360 73 HD13 ILE 7 2HD1 ILE 7 6.080 -2.937 0.704 74 H ILE 8 H ILE 8 2.868 -0.721 -3.627 75 HA ILE 8 HA ILE 8 3.346 -2.509 -5.912 76 HB ILE 8 HB ILE 8 3.240 0.555 -5.899 77 HG12 ILE 8 2HG1 ILE 8 0.943 -1.369 -6.479 78 HG13 ILE 8 3HG1 ILE 8 1.090 -0.367 -5.044 79 HG21 ILE 8 1HG2 ILE 8 2.832 0.331 -8.334 80 HG22 ILE 8 2HG2 ILE 8 2.925 -1.426 -8.197 81 HG23 ILE 8 3HG2 ILE 8 4.352 -0.441 -7.875 82 HD11 ILE 8 3HD1 ILE 8 0.918 1.633 -6.441 83 HD12 ILE 8 1HD1 ILE 8 -0.480 0.577 -6.590 84 HD13 ILE 8 2HD1 ILE 8 0.733 0.611 -7.868 85 H SER 9 H SER 9 5.461 -3.252 -5.688 86 HA SER 9 HA SER 9 7.586 -1.237 -5.953 87 HB2 SER 9 2HB SER 9 7.537 -1.805 -3.546 88 HB3 SER 9 3HB SER 9 7.686 -3.515 -3.936 89 HG SER 9 HG SER 9 9.629 -1.723 -3.623 90 H ASN 10 H ASN 10 9.141 -1.793 -7.312 91 HA ASN 10 HA ASN 10 8.920 -4.187 -8.929 92 HB2 ASN 10 2HB ASN 10 11.019 -1.963 -8.955 93 HB3 ASN 10 3HB ASN 10 10.836 -3.210 -10.189 94 HD21 ASN 10 1HD2 ASN 10 9.018 -3.090 -11.619 95 HD22 ASN 10 2HD2 ASN 10 8.136 -1.617 -11.814 96 H ASP 11 H ASP 11 10.716 -3.134 -6.176 97 HA ASP 11 HA ASP 11 12.819 -5.156 -6.448 98 HB2 ASP 11 2HB ASP 11 13.391 -2.835 -5.714 99 HB3 ASP 11 3HB ASP 11 12.410 -3.069 -4.275 100 H LYS 12 H LYS 12 12.356 -7.091 -5.813 101 HA LYS 12 HA LYS 12 10.132 -7.877 -4.250 102 HB2 LYS 12 2HB LYS 12 12.566 -9.434 -5.220 103 HB3 LYS 12 3HB LYS 12 11.279 -10.193 -4.294 104 HG2 LYS 12 2HG LYS 12 10.933 -10.671 -6.634 105 HG3 LYS 12 3HG LYS 12 9.657 -9.581 -6.091 106 HD2 LYS 12 2HD LYS 12 10.868 -7.671 -7.112 107 HD3 LYS 12 3HD LYS 12 12.133 -8.773 -7.660 108 HE2 LYS 12 2HE LYS 12 10.555 -9.920 -9.123 109 HE3 LYS 12 3HE LYS 12 9.223 -8.945 -8.496 110 HZ1 LYS 12 3HZ LYS 12 9.958 -8.107 -10.611 111 HZ2 LYS 12 1HZ LYS 12 11.545 -7.927 -10.045 112 HZ3 LYS 12 2HZ LYS 12 10.303 -6.973 -9.408 113 H LYS 13 H LYS 13 13.500 -7.244 -3.417 114 HA LYS 13 HA LYS 13 13.313 -8.491 -0.817 115 HB2 LYS 13 2HB LYS 13 15.581 -8.068 -0.542 116 HB3 LYS 13 3HB LYS 13 15.439 -8.223 -2.283 117 HG2 LYS 13 2HG LYS 13 15.458 -5.743 -2.470 118 HG3 LYS 13 3HG LYS 13 15.711 -5.643 -0.726 119 HD2 LYS 13 2HD LYS 13 17.582 -6.886 -2.777 120 HD3 LYS 13 3HD LYS 13 17.850 -5.399 -1.868 121 HE2 LYS 13 2HE LYS 13 17.733 -8.210 -0.721 122 HE3 LYS 13 3HE LYS 13 19.178 -7.228 -0.934 123 HZ1 LYS 13 3HZ LYS 13 18.468 -7.161 1.337 124 HZ2 LYS 13 1HZ LYS 13 16.916 -6.657 0.900 125 HZ3 LYS 13 2HZ LYS 13 18.238 -5.633 0.655 126 H LEU 14 H LEU 14 12.997 -5.164 -2.085 127 HA LEU 14 HA LEU 14 12.600 -3.795 0.336 128 HB2 LEU 14 2HB LEU 14 12.758 -2.778 -1.966 129 HB3 LEU 14 3HB LEU 14 11.124 -3.301 -2.299 130 HG LEU 14 HG LEU 14 11.686 -1.400 0.014 131 HD11 LEU 14 1HD1 LEU 14 12.762 -0.383 -1.936 132 HD12 LEU 14 2HD1 LEU 14 11.331 0.526 -1.466 133 HD13 LEU 14 3HD1 LEU 14 11.270 -0.544 -2.870 134 HD21 LEU 14 3HD2 LEU 14 9.390 -0.610 -0.399 135 HD22 LEU 14 1HD2 LEU 14 9.417 -2.344 -0.086 136 HD23 LEU 14 2HD2 LEU 14 9.223 -1.752 -1.736 137 H ILE 15 H ILE 15 10.341 -5.686 -1.664 138 HA ILE 15 HA ILE 15 7.970 -5.222 -0.231 139 HB ILE 15 HB ILE 15 8.738 -7.671 -1.880 140 HG12 ILE 15 2HG1 ILE 15 7.098 -5.206 -2.662 141 HG13 ILE 15 3HG1 ILE 15 8.758 -5.508 -3.149 142 HG21 ILE 15 1HG2 ILE 15 6.303 -8.134 -2.041 143 HG22 ILE 15 2HG2 ILE 15 5.982 -6.819 -0.908 144 HG23 ILE 15 3HG2 ILE 15 6.884 -8.241 -0.378 145 HD11 ILE 15 3HD1 ILE 15 7.229 -5.995 -4.950 146 HD12 ILE 15 1HD1 ILE 15 6.352 -7.147 -3.941 147 HD13 ILE 15 2HD1 ILE 15 8.020 -7.477 -4.414 148 H GLU 16 H GLU 16 10.395 -7.836 0.162 149 HA GLU 16 HA GLU 16 8.900 -9.196 2.191 150 HB2 GLU 16 2HB GLU 16 10.895 -10.565 2.604 151 HB3 GLU 16 3HB GLU 16 10.547 -10.441 0.884 152 HG2 GLU 16 2HG GLU 16 12.322 -8.808 0.609 153 HG3 GLU 16 3HG GLU 16 12.638 -8.815 2.338 154 H GLU 17 H GLU 17 11.542 -6.749 2.409 155 HA GLU 17 HA GLU 17 11.823 -6.793 5.237 156 HB2 GLU 17 2HB GLU 17 12.232 -4.413 3.374 157 HB3 GLU 17 3HB GLU 17 12.809 -4.513 5.032 158 HG2 GLU 17 2HG GLU 17 13.746 -6.137 2.661 159 HG3 GLU 17 3HG GLU 17 14.653 -4.930 3.560 160 H ALA 18 H ALA 18 9.617 -5.035 3.135 161 HA ALA 18 HA ALA 18 8.317 -3.469 5.123 162 HB1 ALA 18 3HB ALA 18 8.254 -2.912 2.736 163 HB2 ALA 18 1HB ALA 18 6.619 -3.092 3.376 164 HB3 ALA 18 2HB ALA 18 7.332 -4.379 2.397 165 H ARG 19 H ARG 19 7.621 -6.629 3.647 166 HA ARG 19 HA ARG 19 5.112 -7.164 4.769 167 HB2 ARG 19 2HB ARG 19 6.205 -8.483 2.903 168 HB3 ARG 19 3HB ARG 19 7.245 -9.237 4.103 169 HG2 ARG 19 2HG ARG 19 4.820 -9.828 5.204 170 HG3 ARG 19 3HG ARG 19 4.345 -9.734 3.508 171 HD2 ARG 19 2HD ARG 19 4.910 -12.036 4.087 172 HD3 ARG 19 3HD ARG 19 6.125 -11.411 2.961 173 HE ARG 19 HE ARG 19 6.861 -11.020 5.703 174 HH11 ARG 19 1HH1 ARG 19 6.878 -13.480 3.172 175 HH12 ARG 19 2HH1 ARG 19 8.195 -14.356 3.897 176 HH21 ARG 19 1HH2 ARG 19 8.517 -12.195 6.634 177 HH22 ARG 19 2HH2 ARG 19 9.125 -13.631 5.859 178 H LYS 20 H LYS 20 8.366 -7.822 5.982 179 HA LYS 20 HA LYS 20 7.738 -9.354 8.271 180 HB2 LYS 20 2HB LYS 20 10.122 -7.539 7.706 181 HB3 LYS 20 3HB LYS 20 10.038 -8.654 9.068 182 HG2 LYS 20 2HG LYS 20 10.015 -10.574 7.594 183 HG3 LYS 20 3HG LYS 20 9.839 -9.545 6.172 184 HD2 LYS 20 2HD LYS 20 12.105 -8.557 6.681 185 HD3 LYS 20 3HD LYS 20 12.276 -9.731 7.990 186 HE2 LYS 20 2HE LYS 20 12.141 -11.581 6.365 187 HE3 LYS 20 3HE LYS 20 11.906 -10.425 5.050 188 HZ1 LYS 20 3HZ LYS 20 14.109 -9.503 5.557 189 HZ2 LYS 20 1HZ LYS 20 14.190 -11.137 5.129 190 HZ3 LYS 20 2HZ LYS 20 14.333 -10.679 6.748 191 H MET 21 H MET 21 7.996 -5.867 7.757 192 HA MET 21 HA MET 21 7.584 -5.083 10.485 193 HB2 MET 21 2HB MET 21 7.464 -3.604 7.836 194 HB3 MET 21 3HB MET 21 7.014 -2.805 9.342 195 HG2 MET 21 2HG MET 21 9.699 -4.033 8.707 196 HG3 MET 21 3HG MET 21 9.311 -2.316 8.779 197 HE1 MET 21 3HE MET 21 8.478 -1.114 11.087 198 HE2 MET 21 1HE MET 21 8.455 -1.950 12.642 199 HE3 MET 21 2HE MET 21 7.304 -2.404 11.381 200 H ALA 22 H ALA 22 5.445 -5.418 7.678 201 HA ALA 22 HA ALA 22 3.089 -4.469 8.832 202 HB1 ALA 22 3HB ALA 22 3.402 -6.593 6.681 203 HB2 ALA 22 1HB ALA 22 3.346 -4.849 6.418 204 HB3 ALA 22 2HB ALA 22 1.923 -5.694 7.033 205 H GLU 23 H GLU 23 4.529 -7.719 8.851 206 HA GLU 23 HA GLU 23 2.502 -9.150 10.174 207 HB2 GLU 23 2HB GLU 23 5.532 -9.545 10.176 208 HB3 GLU 23 3HB GLU 23 4.401 -10.702 10.870 209 HG2 GLU 23 2HG GLU 23 3.395 -11.102 8.680 210 HG3 GLU 23 3HG GLU 23 4.411 -9.860 7.958 211 H LYS 24 H LYS 24 5.201 -7.229 11.468 212 HA LYS 24 HA LYS 24 4.785 -7.811 14.237 213 HB2 LYS 24 2HB LYS 24 6.227 -5.459 12.929 214 HB3 LYS 24 3HB LYS 24 6.315 -5.874 14.642 215 HG2 LYS 24 2HG LYS 24 7.386 -8.018 14.086 216 HG3 LYS 24 3HG LYS 24 7.260 -7.639 12.366 217 HD2 LYS 24 2HD LYS 24 8.733 -5.639 12.735 218 HD3 LYS 24 3HD LYS 24 8.911 -6.125 14.428 219 HE2 LYS 24 2HE LYS 24 10.842 -6.863 13.124 220 HE3 LYS 24 3HE LYS 24 9.931 -8.263 13.692 221 HZ1 LYS 24 3HZ LYS 24 8.933 -8.471 11.519 222 HZ2 LYS 24 1HZ LYS 24 10.616 -8.472 11.377 223 HZ3 LYS 24 2HZ LYS 24 9.740 -7.088 10.970 224 H ALA 25 H ALA 25 3.746 -5.169 12.100 225 HA ALA 25 HA ALA 25 2.428 -3.630 14.161 226 HB1 ALA 25 3HB ALA 25 1.782 -2.166 12.283 227 HB2 ALA 25 1HB ALA 25 2.384 -3.365 11.132 228 HB3 ALA 25 2HB ALA 25 3.500 -2.555 12.232 229 H ASN 26 H ASN 26 1.585 -6.422 12.518 230 HA ASN 26 HA ASN 26 -0.228 -7.571 11.921 231 HB2 ASN 26 2HB ASN 26 -0.745 -7.485 14.324 232 HB3 ASN 26 3HB ASN 26 -1.602 -5.965 14.120 233 HD21 ASN 26 1HD2 ASN 26 -1.702 -9.416 13.490 234 HD22 ASN 26 2HD2 ASN 26 -3.393 -9.503 13.155 235 H LEU 27 H LEU 27 0.037 -6.434 9.940 236 HA LEU 27 HA LEU 27 -2.359 -4.928 9.098 237 HB2 LEU 27 2HB LEU 27 0.477 -4.398 8.078 238 HB3 LEU 27 3HB LEU 27 -0.982 -3.560 7.580 239 HG LEU 27 HG LEU 27 0.335 -3.364 10.320 240 HD11 LEU 27 1HD1 LEU 27 0.893 -1.061 9.705 241 HD12 LEU 27 2HD1 LEU 27 0.190 -1.298 8.102 242 HD13 LEU 27 3HD1 LEU 27 1.621 -2.211 8.584 243 HD21 LEU 27 3HD2 LEU 27 -1.265 -1.579 10.822 244 HD22 LEU 27 1HD2 LEU 27 -2.081 -3.115 10.542 245 HD23 LEU 27 2HD2 LEU 27 -2.092 -1.872 9.289 246 H GLU 28 H GLU 28 -3.281 -5.826 7.292 247 HA GLU 28 HA GLU 28 -2.143 -8.287 6.245 248 HB2 GLU 28 2HB GLU 28 -4.557 -8.205 6.633 249 HB3 GLU 28 3HB GLU 28 -4.725 -6.801 5.586 250 HG2 GLU 28 2HG GLU 28 -5.501 -8.912 4.528 251 HG3 GLU 28 3HG GLU 28 -4.214 -8.126 3.619 252 H LEU 29 H LEU 29 -0.588 -8.189 4.744 253 HA LEU 29 HA LEU 29 -0.368 -5.796 3.022 254 HB2 LEU 29 2HB LEU 29 1.555 -6.208 4.483 255 HB3 LEU 29 3HB LEU 29 1.754 -7.828 3.848 256 HG LEU 29 HG LEU 29 1.894 -5.618 1.804 257 HD11 LEU 29 1HD1 LEU 29 4.164 -5.982 3.782 258 HD12 LEU 29 2HD1 LEU 29 3.127 -4.563 3.637 259 HD13 LEU 29 3HD1 LEU 29 4.204 -4.999 2.314 260 HD21 LEU 29 3HD2 LEU 29 2.275 -7.939 1.125 261 HD22 LEU 29 1HD2 LEU 29 3.615 -8.081 2.267 262 HD23 LEU 29 2HD2 LEU 29 3.732 -6.982 0.890 263 H ARG 30 H ARG 30 -0.865 -6.027 1.001 264 HA ARG 30 HA ARG 30 -0.954 -8.654 -0.339 265 HB2 ARG 30 2HB ARG 30 -2.702 -6.192 -0.793 266 HB3 ARG 30 3HB ARG 30 -2.790 -7.672 -1.733 267 HG2 ARG 30 2HG ARG 30 -3.372 -7.523 1.241 268 HG3 ARG 30 3HG ARG 30 -4.606 -7.361 -0.005 269 HD2 ARG 30 2HD ARG 30 -4.696 -9.613 0.776 270 HD3 ARG 30 3HD ARG 30 -3.954 -9.666 -0.825 271 HE ARG 30 HE ARG 30 -2.207 -9.624 1.532 272 HH11 ARG 30 1HH1 ARG 30 -3.609 -11.553 -1.058 273 HH12 ARG 30 2HH1 ARG 30 -2.466 -12.843 -0.873 274 HH21 ARG 30 1HH2 ARG 30 -0.700 -11.307 1.746 275 HH22 ARG 30 2HH2 ARG 30 -0.811 -12.704 0.718 276 H THR 31 H THR 31 0.433 -8.789 -2.003 277 HA THR 31 HA THR 31 2.106 -6.556 -2.757 278 HB THR 31 HB THR 31 3.194 -8.331 -4.267 279 HG1 THR 31 HG1 THR 31 1.047 -9.655 -4.037 280 HG21 THR 31 3HG2 THR 31 4.289 -9.514 -2.420 281 HG22 THR 31 1HG2 THR 31 2.979 -9.066 -1.319 282 HG23 THR 31 2HG2 THR 31 4.046 -7.826 -1.975 283 H VAL 32 H VAL 32 1.395 -5.122 -4.187 284 HA VAL 32 HA VAL 32 -0.319 -5.919 -6.460 285 HB VAL 32 HB VAL 32 0.304 -3.153 -5.304 286 HG11 VAL 32 1HG1 VAL 32 -1.553 -3.883 -7.604 287 HG12 VAL 32 2HG1 VAL 32 -0.016 -3.024 -7.735 288 HG13 VAL 32 3HG1 VAL 32 -1.367 -2.279 -6.887 289 HG21 VAL 32 3HG2 VAL 32 -2.068 -3.141 -4.598 290 HG22 VAL 32 1HG2 VAL 32 -1.185 -4.477 -3.859 291 HG23 VAL 32 2HG2 VAL 32 -2.271 -4.783 -5.216 292 H LYS 33 H LYS 33 0.428 -5.719 -8.523 293 HA LYS 33 HA LYS 33 3.244 -4.900 -8.920 294 HB2 LYS 33 2HB LYS 33 1.524 -6.758 -10.623 295 HB3 LYS 33 3HB LYS 33 3.221 -6.374 -10.908 296 HG2 LYS 33 2HG LYS 33 2.106 -7.837 -8.498 297 HG3 LYS 33 3HG LYS 33 2.975 -8.572 -9.849 298 HD2 LYS 33 2HD LYS 33 5.027 -7.402 -9.237 299 HD3 LYS 33 3HD LYS 33 4.179 -6.469 -8.000 300 HE2 LYS 33 2HE LYS 33 5.524 -8.344 -7.064 301 HE3 LYS 33 3HE LYS 33 3.810 -8.459 -6.668 302 HZ1 LYS 33 3HZ LYS 33 4.827 -10.582 -7.356 303 HZ2 LYS 33 1HZ LYS 33 5.105 -9.941 -8.896 304 HZ3 LYS 33 2HZ LYS 33 3.522 -10.128 -8.327 305 H THR 34 H THR 34 0.396 -5.157 -11.077 306 HA THR 34 HA THR 34 1.091 -2.603 -12.352 307 HB THR 34 HB THR 34 -0.524 -3.328 -14.117 308 HG1 THR 34 HG1 THR 34 -1.420 -5.468 -13.908 309 HG21 THR 34 3HG2 THR 34 1.845 -4.073 -14.309 310 HG22 THR 34 1HG2 THR 34 0.728 -5.259 -14.996 311 HG23 THR 34 2HG2 THR 34 1.446 -5.536 -13.410 312 H GLU 35 H GLU 35 -0.932 -1.353 -13.136 313 HA GLU 35 HA GLU 35 -2.513 -0.476 -10.949 314 HB2 GLU 35 2HB GLU 35 -3.613 1.005 -12.470 315 HB3 GLU 35 3HB GLU 35 -1.937 0.930 -12.983 316 HG2 GLU 35 2HG GLU 35 -4.206 -0.601 -14.276 317 HG3 GLU 35 3HG GLU 35 -3.598 0.942 -14.853 318 H ASP 36 H ASP 36 -2.979 -2.899 -13.431 319 HA ASP 36 HA ASP 36 -5.746 -3.377 -13.208 320 HB2 ASP 36 2HB ASP 36 -4.376 -4.274 -15.055 321 HB3 ASP 36 3HB ASP 36 -3.475 -5.292 -13.936 322 H GLU 37 H GLU 37 -2.961 -4.674 -11.431 323 HA GLU 37 HA GLU 37 -4.463 -6.368 -9.683 324 HB2 GLU 37 2HB GLU 37 -1.679 -5.199 -9.215 325 HB3 GLU 37 3HB GLU 37 -2.389 -6.574 -8.376 326 HG2 GLU 37 2HG GLU 37 -1.489 -6.422 -11.259 327 HG3 GLU 37 3HG GLU 37 -0.856 -7.450 -9.974 328 H LEU 38 H LEU 38 -3.384 -3.003 -9.562 329 HA LEU 38 HA LEU 38 -3.888 -2.476 -6.832 330 HB2 LEU 38 2HB LEU 38 -2.489 -1.113 -8.521 331 HB3 LEU 38 3HB LEU 38 -3.993 -0.408 -9.071 332 HG LEU 38 HG LEU 38 -2.558 0.963 -7.412 333 HD11 LEU 38 1HD1 LEU 38 -4.454 1.927 -6.215 334 HD12 LEU 38 2HD1 LEU 38 -5.457 0.539 -6.641 335 HD13 LEU 38 3HD1 LEU 38 -4.860 1.618 -7.902 336 HD21 LEU 38 3HD2 LEU 38 -3.715 -0.949 -5.351 337 HD22 LEU 38 1HD2 LEU 38 -2.729 0.479 -5.034 338 HD23 LEU 38 2HD2 LEU 38 -2.027 -0.906 -5.862 339 H LYS 39 H LYS 39 -5.840 -1.893 -9.736 340 HA LYS 39 HA LYS 39 -8.182 -0.873 -8.528 341 HB2 LYS 39 2HB LYS 39 -7.782 -2.347 -11.166 342 HB3 LYS 39 3HB LYS 39 -9.288 -1.565 -10.700 343 HG2 LYS 39 2HG LYS 39 -8.249 0.631 -10.782 344 HG3 LYS 39 3HG LYS 39 -6.655 -0.093 -11.036 345 HD2 LYS 39 2HD LYS 39 -7.624 0.762 -13.166 346 HD3 LYS 39 3HD LYS 39 -7.358 -0.982 -13.217 347 HE2 LYS 39 2HE LYS 39 -9.795 -1.296 -12.641 348 HE3 LYS 39 3HE LYS 39 -10.007 0.447 -12.805 349 HZ1 LYS 39 3HZ LYS 39 -9.307 0.270 -15.110 350 HZ2 LYS 39 1HZ LYS 39 -10.639 -0.726 -14.812 351 HZ3 LYS 39 2HZ LYS 39 -9.095 -1.399 -14.953 352 H LYS 40 H LYS 40 -7.115 -4.144 -9.344 353 HA LYS 40 HA LYS 40 -9.444 -5.634 -8.938 354 HB2 LYS 40 2HB LYS 40 -7.360 -6.467 -9.988 355 HB3 LYS 40 3HB LYS 40 -6.529 -6.387 -8.442 356 HG2 LYS 40 2HG LYS 40 -8.038 -8.147 -7.566 357 HG3 LYS 40 3HG LYS 40 -8.822 -8.249 -9.142 358 HD2 LYS 40 2HD LYS 40 -5.858 -8.789 -8.668 359 HD3 LYS 40 3HD LYS 40 -7.093 -10.042 -8.706 360 HE2 LYS 40 2HE LYS 40 -6.043 -10.054 -10.850 361 HE3 LYS 40 3HE LYS 40 -7.620 -9.307 -11.081 362 HZ1 LYS 40 3HZ LYS 40 -6.554 -7.140 -11.114 363 HZ2 LYS 40 1HZ LYS 40 -5.851 -8.149 -12.272 364 HZ3 LYS 40 2HZ LYS 40 -5.043 -7.844 -10.824 365 H TYR 41 H TYR 41 -6.916 -4.661 -6.672 366 HA TYR 41 HA TYR 41 -8.113 -5.924 -4.373 367 HB2 TYR 41 2HB TYR 41 -5.752 -4.053 -4.744 368 HB3 TYR 41 3HB TYR 41 -6.349 -4.415 -3.126 369 HD1 TYR 41 HD1 TYR 41 -6.535 -6.891 -2.423 370 HD2 TYR 41 HD2 TYR 41 -4.269 -5.634 -5.825 371 HE1 TYR 41 HE1 TYR 41 -5.354 -9.033 -2.444 372 HE2 TYR 41 HE2 TYR 41 -3.079 -7.786 -5.829 373 HH TYR 41 HH TYR 41 -4.144 -10.430 -3.876 374 H LEU 42 H LEU 42 -8.190 -2.669 -5.753 375 HA LEU 42 HA LEU 42 -9.473 -1.311 -3.668 376 HB2 LEU 42 2HB LEU 42 -9.677 -0.873 -6.663 377 HB3 LEU 42 3HB LEU 42 -10.360 0.225 -5.475 378 HG LEU 42 HG LEU 42 -7.402 -0.364 -5.864 379 HD11 LEU 42 1HD1 LEU 42 -8.350 0.985 -7.658 380 HD12 LEU 42 2HD1 LEU 42 -7.275 1.958 -6.660 381 HD13 LEU 42 3HD1 LEU 42 -9.024 2.121 -6.486 382 HD21 LEU 42 3HD2 LEU 42 -6.986 1.431 -4.216 383 HD22 LEU 42 1HD2 LEU 42 -7.836 0.066 -3.492 384 HD23 LEU 42 2HD2 LEU 42 -8.719 1.540 -3.893 385 H GLU 43 H GLU 43 -10.891 -3.083 -6.421 386 HA GLU 43 HA GLU 43 -13.616 -2.638 -5.914 387 HB2 GLU 43 2HB GLU 43 -12.249 -4.998 -7.272 388 HB3 GLU 43 3HB GLU 43 -13.979 -4.679 -7.357 389 HG2 GLU 43 2HG GLU 43 -13.643 -2.662 -8.601 390 HG3 GLU 43 3HG GLU 43 -11.908 -2.680 -8.304 391 H GLU 44 H GLU 44 -11.398 -5.048 -4.639 392 HA GLU 44 HA GLU 44 -13.246 -6.609 -3.157 393 HB2 GLU 44 2HB GLU 44 -10.848 -7.251 -3.713 394 HB3 GLU 44 3HB GLU 44 -10.304 -6.074 -2.523 395 HG2 GLU 44 2HG GLU 44 -10.219 -8.273 -1.538 396 HG3 GLU 44 3HG GLU 44 -11.502 -7.359 -0.749 397 H PHE 45 H PHE 45 -11.251 -3.771 -2.326 398 HA PHE 45 HA PHE 45 -12.147 -3.561 0.385 399 HB2 PHE 45 2HB PHE 45 -10.604 -1.576 -1.324 400 HB3 PHE 45 3HB PHE 45 -10.827 -1.447 0.419 401 HD1 PHE 45 HD2 PHE 45 -10.449 -4.471 1.040 402 HD2 PHE 45 HD1 PHE 45 -8.178 -1.715 -1.325 403 HE1 PHE 45 HE2 PHE 45 -8.430 -5.831 1.375 404 HE2 PHE 45 HE1 PHE 45 -6.176 -3.095 -0.977 405 HZ PHE 45 HZ PHE 45 -6.293 -5.152 0.367 406 H ARG 46 H ARG 46 -13.570 -2.547 -2.540 407 HA ARG 46 HA ARG 46 -15.194 -0.395 -1.508 408 HB2 ARG 46 2HB ARG 46 -15.609 -2.218 -3.917 409 HB3 ARG 46 3HB ARG 46 -16.645 -0.845 -3.527 410 HG2 ARG 46 2HG ARG 46 -14.724 0.684 -3.809 411 HG3 ARG 46 3HG ARG 46 -13.697 -0.691 -4.229 412 HD2 ARG 46 2HD ARG 46 -14.498 0.511 -6.236 413 HD3 ARG 46 3HD ARG 46 -15.079 -1.159 -6.201 414 HE ARG 46 HE ARG 46 -16.874 0.823 -5.072 415 HH11 ARG 46 1HH1 ARG 46 -16.047 -0.972 -7.991 416 HH12 ARG 46 2HH1 ARG 46 -17.603 -0.723 -8.715 417 HH21 ARG 46 1HH2 ARG 46 -18.883 1.133 -6.022 418 HH22 ARG 46 2HH2 ARG 46 -19.215 0.473 -7.591 419 H LYS 47 H LYS 47 -15.515 -3.874 -1.897 420 HA LYS 47 HA LYS 47 -18.219 -4.228 -1.169 421 HB2 LYS 47 2HB LYS 47 -15.899 -6.175 -0.774 422 HB3 LYS 47 3HB LYS 47 -17.612 -6.593 -0.808 423 HG2 LYS 47 2HG LYS 47 -17.749 -5.921 -3.173 424 HG3 LYS 47 3HG LYS 47 -16.052 -5.441 -3.138 425 HD2 LYS 47 2HD LYS 47 -16.270 -7.628 -4.202 426 HD3 LYS 47 3HD LYS 47 -15.398 -7.793 -2.676 427 HE2 LYS 47 2HE LYS 47 -17.030 -9.611 -2.983 428 HE3 LYS 47 3HE LYS 47 -17.441 -8.620 -1.585 429 HZ1 LYS 47 3HZ LYS 47 -19.400 -9.132 -2.870 430 HZ2 LYS 47 1HZ LYS 47 -18.714 -8.474 -4.269 431 HZ3 LYS 47 2HZ LYS 47 -19.094 -7.474 -2.960 432 H GLU 48 H GLU 48 -15.407 -3.590 0.694 433 HA GLU 48 HA GLU 48 -16.831 -3.909 3.268 434 HB2 GLU 48 2HB GLU 48 -14.658 -4.664 4.229 435 HB3 GLU 48 3HB GLU 48 -15.204 -5.750 2.954 436 HG2 GLU 48 2HG GLU 48 -13.669 -4.532 1.356 437 HG3 GLU 48 3HG GLU 48 -13.039 -3.629 2.731 438 H SER 49 H SER 49 -16.596 -1.518 1.570 439 HA SER 49 HA SER 49 -14.594 0.237 2.653 440 HB2 SER 49 2HB SER 49 -15.885 2.021 1.419 441 HB3 SER 49 3HB SER 49 -15.441 0.642 0.414 442 HG SER 49 HG SER 49 -17.493 0.569 -0.040 443 H GLN 50 H GLN 50 -15.123 -0.352 4.933 444 HA GLN 50 HA GLN 50 -16.589 1.716 6.256 445 HB2 GLN 50 2HB GLN 50 -17.972 -0.051 7.642 446 HB3 GLN 50 3HB GLN 50 -18.582 0.542 6.116 447 HG2 GLN 50 2HG GLN 50 -19.052 -1.751 6.103 448 HG3 GLN 50 3HG GLN 50 -17.639 -1.594 5.062 449 HE21 GLN 50 1HE2 GLN 50 -15.732 -2.596 5.697 450 HE22 GLN 50 2HE2 GLN 50 -15.650 -3.703 7.016 451 H ASN 51 H ASN 51 -15.408 2.291 7.961 452 HA ASN 51 HA ASN 51 -13.685 2.404 9.446 453 HB2 ASN 51 2HB ASN 51 -14.695 -0.403 10.045 454 HB3 ASN 51 3HB ASN 51 -13.403 0.345 10.979 455 HD21 ASN 51 1HD2 ASN 51 -14.648 0.257 12.861 456 HD22 ASN 51 2HD2 ASN 51 -15.981 1.320 13.146 457 H ILE 52 H ILE 52 -12.946 1.751 6.768 458 HA ILE 52 HA ILE 52 -10.737 -0.190 7.060 459 HB ILE 52 HB ILE 52 -12.487 -0.842 5.426 460 HG12 ILE 52 2HG1 ILE 52 -9.851 -0.170 4.029 461 HG13 ILE 52 3HG1 ILE 52 -10.078 -1.536 5.113 462 HG21 ILE 52 1HG2 ILE 52 -13.242 1.374 4.684 463 HG22 ILE 52 2HG2 ILE 52 -12.794 0.376 3.303 464 HG23 ILE 52 3HG2 ILE 52 -11.702 1.644 3.863 465 HD11 ILE 52 3HD1 ILE 52 -10.154 -2.237 2.809 466 HD12 ILE 52 1HD1 ILE 52 -11.473 -1.116 2.474 467 HD13 ILE 52 2HD1 ILE 52 -11.726 -2.479 3.567 468 H LYS 53 H LYS 53 -8.725 0.353 6.455 469 HA LYS 53 HA LYS 53 -8.085 3.004 5.328 470 HB2 LYS 53 2HB LYS 53 -6.733 1.616 7.694 471 HB3 LYS 53 3HB LYS 53 -6.133 3.075 6.911 472 HG2 LYS 53 2HG LYS 53 -8.025 4.350 7.699 473 HG3 LYS 53 3HG LYS 53 -8.815 2.897 8.308 474 HD2 LYS 53 2HD LYS 53 -7.780 4.243 10.117 475 HD3 LYS 53 3HD LYS 53 -7.101 2.619 10.015 476 HE2 LYS 53 2HE LYS 53 -5.320 4.234 10.391 477 HE3 LYS 53 3HE LYS 53 -5.154 3.549 8.774 478 HZ1 LYS 53 3HZ LYS 53 -6.414 6.163 9.392 479 HZ2 LYS 53 1HZ LYS 53 -6.150 5.524 7.850 480 HZ3 LYS 53 2HZ LYS 53 -4.840 5.960 8.820 481 H VAL 54 H VAL 54 -6.875 2.665 3.546 482 HA VAL 54 HA VAL 54 -5.273 0.179 3.252 483 HB VAL 54 HB VAL 54 -6.485 1.966 1.077 484 HG11 VAL 54 1HG1 VAL 54 -5.735 0.250 -0.528 485 HG12 VAL 54 2HG1 VAL 54 -4.954 -0.645 0.777 486 HG13 VAL 54 3HG1 VAL 54 -4.369 0.960 0.333 487 HG21 VAL 54 3HG2 VAL 54 -7.324 -0.836 1.936 488 HG22 VAL 54 1HG2 VAL 54 -8.018 0.090 0.601 489 HG23 VAL 54 2HG2 VAL 54 -8.214 0.652 2.262 490 H LEU 55 H LEU 55 -3.084 0.450 3.118 491 HA LEU 55 HA LEU 55 -1.961 3.180 2.705 492 HB2 LEU 55 2HB LEU 55 -1.468 2.159 4.924 493 HB3 LEU 55 3HB LEU 55 -0.780 0.751 4.132 494 HG LEU 55 HG LEU 55 0.967 2.318 3.106 495 HD11 LEU 55 1HD1 LEU 55 1.408 4.458 4.181 496 HD12 LEU 55 2HD1 LEU 55 -0.055 4.294 5.154 497 HD13 LEU 55 3HD1 LEU 55 -0.171 4.448 3.400 498 HD21 LEU 55 3HD2 LEU 55 2.388 2.333 5.107 499 HD22 LEU 55 1HD2 LEU 55 1.517 0.810 4.946 500 HD23 LEU 55 2HD2 LEU 55 0.983 2.010 6.124 501 H ILE 56 H ILE 56 -1.342 3.338 0.585 502 HA ILE 56 HA ILE 56 -0.305 0.961 -0.812 503 HB ILE 56 HB ILE 56 -1.202 3.636 -1.996 504 HG12 ILE 56 2HG1 ILE 56 -2.519 0.875 -2.113 505 HG13 ILE 56 3HG1 ILE 56 -3.095 2.236 -1.166 506 HG21 ILE 56 1HG2 ILE 56 -0.237 1.113 -3.416 507 HG22 ILE 56 2HG2 ILE 56 0.608 2.660 -3.350 508 HG23 ILE 56 3HG2 ILE 56 -0.921 2.530 -4.213 509 HD11 ILE 56 3HD1 ILE 56 -4.411 1.919 -3.171 510 HD12 ILE 56 1HD1 ILE 56 -2.976 2.110 -4.177 511 HD13 ILE 56 2HD1 ILE 56 -3.572 3.468 -3.217 512 H LEU 57 H LEU 57 1.868 0.729 -0.668 513 HA LEU 57 HA LEU 57 3.636 3.110 -0.608 514 HB2 LEU 57 2HB LEU 57 4.360 0.166 -0.193 515 HB3 LEU 57 3HB LEU 57 5.489 1.506 -0.139 516 HG LEU 57 HG LEU 57 5.117 0.909 2.116 517 HD11 LEU 57 1HD1 LEU 57 5.107 3.319 1.792 518 HD12 LEU 57 2HD1 LEU 57 4.071 2.866 3.142 519 HD13 LEU 57 3HD1 LEU 57 3.352 3.312 1.593 520 HD21 LEU 57 3HD2 LEU 57 2.943 0.606 3.172 521 HD22 LEU 57 1HD2 LEU 57 3.122 -0.492 1.806 522 HD23 LEU 57 2HD2 LEU 57 2.120 0.953 1.650 523 H VAL 58 H VAL 58 4.102 3.778 -2.613 524 HA VAL 58 HA VAL 58 4.418 1.838 -4.820 525 HB VAL 58 HB VAL 58 4.274 3.782 -6.330 526 HG11 VAL 58 1HG1 VAL 58 1.993 3.718 -4.315 527 HG12 VAL 58 2HG1 VAL 58 2.192 2.652 -5.704 528 HG13 VAL 58 3HG1 VAL 58 1.900 4.370 -5.955 529 HG21 VAL 58 3HG2 VAL 58 3.764 6.040 -5.508 530 HG22 VAL 58 1HG2 VAL 58 5.306 5.486 -4.865 531 HG23 VAL 58 2HG2 VAL 58 3.870 5.484 -3.838 532 H SER 59 H SER 59 6.345 1.669 -5.929 533 HA SER 59 HA SER 59 8.752 2.764 -4.711 534 HB2 SER 59 2HB SER 59 9.901 1.337 -6.440 535 HB3 SER 59 3HB SER 59 8.778 0.440 -5.417 536 HG SER 59 HG SER 59 8.783 0.649 -8.062 537 H ASN 60 H ASN 60 6.627 3.566 -7.329 538 HA ASN 60 HA ASN 60 8.675 5.249 -8.667 539 HB2 ASN 60 2HB ASN 60 6.141 4.051 -9.867 540 HB3 ASN 60 3HB ASN 60 7.311 5.036 -10.731 541 HD21 ASN 60 1HD2 ASN 60 6.605 1.895 -9.450 542 HD22 ASN 60 2HD2 ASN 60 7.947 1.079 -10.166 543 H ASP 61 H ASP 61 8.219 7.319 -9.163 544 HA ASP 61 HA ASP 61 6.429 8.916 -7.703 545 HB2 ASP 61 2HB ASP 61 8.561 9.703 -8.693 546 HB3 ASP 61 3HB ASP 61 7.911 9.490 -10.313 547 H GLU 62 H GLU 62 6.227 7.565 -10.949 548 HA GLU 62 HA GLU 62 3.849 8.883 -11.817 549 HB2 GLU 62 2HB GLU 62 5.524 7.852 -13.368 550 HB3 GLU 62 3HB GLU 62 5.058 6.255 -12.798 551 HG2 GLU 62 2HG GLU 62 2.756 6.655 -13.679 552 HG3 GLU 62 3HG GLU 62 3.290 8.214 -14.305 553 H GLU 63 H GLU 63 4.552 5.752 -10.322 554 HA GLU 63 HA GLU 63 1.908 4.750 -10.313 555 HB2 GLU 63 2HB GLU 63 4.370 3.956 -8.730 556 HB3 GLU 63 3HB GLU 63 2.823 3.148 -8.514 557 HG2 GLU 63 2HG GLU 63 4.416 3.301 -11.084 558 HG3 GLU 63 3HG GLU 63 4.226 1.885 -10.052 559 H LEU 64 H LEU 64 3.587 6.884 -8.068 560 HA LEU 64 HA LEU 64 1.790 6.801 -5.931 561 HB2 LEU 64 2HB LEU 64 3.945 8.112 -5.967 562 HB3 LEU 64 3HB LEU 64 3.160 9.308 -6.987 563 HG LEU 64 HG LEU 64 1.457 9.644 -5.096 564 HD11 LEU 64 1HD1 LEU 64 1.773 7.579 -3.875 565 HD12 LEU 64 2HD1 LEU 64 2.100 8.956 -2.827 566 HD13 LEU 64 3HD1 LEU 64 3.441 8.015 -3.487 567 HD21 LEU 64 3HD2 LEU 64 3.267 11.263 -5.499 568 HD22 LEU 64 1HD2 LEU 64 4.343 10.343 -4.444 569 HD23 LEU 64 2HD2 LEU 64 2.902 11.122 -3.784 570 H ASP 65 H ASP 65 1.744 8.986 -8.774 571 HA ASP 65 HA ASP 65 -0.749 10.209 -8.261 572 HB2 ASP 65 2HB ASP 65 0.911 11.200 -9.800 573 HB3 ASP 65 3HB ASP 65 0.751 9.831 -10.896 574 H LYS 66 H LYS 66 0.165 7.311 -10.035 575 HA LYS 66 HA LYS 66 -2.206 6.735 -11.433 576 HB2 LYS 66 2HB LYS 66 0.120 5.717 -11.747 577 HB3 LYS 66 3HB LYS 66 -0.182 4.737 -10.324 578 HG2 LYS 66 2HG LYS 66 -0.564 3.360 -12.233 579 HG3 LYS 66 3HG LYS 66 -2.152 3.722 -11.548 580 HD2 LYS 66 2HD LYS 66 -2.610 5.355 -13.276 581 HD3 LYS 66 3HD LYS 66 -0.944 5.291 -13.861 582 HE2 LYS 66 2HE LYS 66 -2.967 3.030 -14.022 583 HE3 LYS 66 3HE LYS 66 -2.448 4.065 -15.353 584 HZ1 LYS 66 3HZ LYS 66 -0.679 2.230 -13.818 585 HZ2 LYS 66 1HZ LYS 66 -0.206 3.216 -15.107 586 HZ3 LYS 66 2HZ LYS 66 -1.283 1.945 -15.371 587 H ALA 67 H ALA 67 -0.986 5.512 -8.324 588 HA ALA 67 HA ALA 67 -3.190 3.848 -7.704 589 HB1 ALA 67 3HB ALA 67 -2.119 3.613 -5.503 590 HB2 ALA 67 1HB ALA 67 -1.041 4.966 -5.870 591 HB3 ALA 67 2HB ALA 67 -0.935 3.473 -6.803 592 H LYS 68 H LYS 68 -2.352 7.204 -6.839 593 HA LYS 68 HA LYS 68 -4.357 7.648 -4.890 594 HB2 LYS 68 2HB LYS 68 -2.973 9.635 -6.742 595 HB3 LYS 68 3HB LYS 68 -4.089 10.115 -5.464 596 HG2 LYS 68 2HG LYS 68 -2.557 8.985 -3.812 597 HG3 LYS 68 3HG LYS 68 -1.408 8.750 -5.124 598 HD2 LYS 68 2HD LYS 68 -2.425 11.427 -4.108 599 HD3 LYS 68 3HD LYS 68 -0.842 10.730 -3.767 600 HE2 LYS 68 2HE LYS 68 -0.229 10.888 -6.128 601 HE3 LYS 68 3HE LYS 68 -1.841 11.486 -6.533 602 HZ1 LYS 68 3HZ LYS 68 -1.432 13.444 -5.206 603 HZ2 LYS 68 1HZ LYS 68 -0.195 13.270 -6.345 604 HZ3 LYS 68 2HZ LYS 68 0.076 12.860 -4.731 605 H GLU 69 H GLU 69 -4.292 8.214 -8.399 606 HA GLU 69 HA GLU 69 -6.801 9.484 -8.592 607 HB2 GLU 69 2HB GLU 69 -5.018 8.100 -10.621 608 HB3 GLU 69 3HB GLU 69 -6.616 8.668 -11.094 609 HG2 GLU 69 2HG GLU 69 -4.432 10.412 -9.912 610 HG3 GLU 69 3HG GLU 69 -4.822 10.287 -11.624 611 H LEU 70 H LEU 70 -5.879 6.077 -9.171 612 HA LEU 70 HA LEU 70 -8.396 5.057 -9.903 613 HB2 LEU 70 2HB LEU 70 -6.084 3.655 -8.502 614 HB3 LEU 70 3HB LEU 70 -7.436 2.825 -9.253 615 HG LEU 70 HG LEU 70 -5.437 4.562 -10.758 616 HD11 LEU 70 1HD1 LEU 70 -4.487 2.467 -11.632 617 HD12 LEU 70 2HD1 LEU 70 -5.568 1.531 -10.595 618 HD13 LEU 70 3HD1 LEU 70 -4.328 2.564 -9.878 619 HD21 LEU 70 3HD2 LEU 70 -7.629 2.739 -11.812 620 HD22 LEU 70 1HD2 LEU 70 -6.433 3.584 -12.800 621 HD23 LEU 70 2HD2 LEU 70 -7.616 4.503 -11.872 622 H ALA 71 H ALA 71 -6.819 5.294 -6.728 623 HA ALA 71 HA ALA 71 -8.762 4.054 -5.131 624 HB1 ALA 71 3HB ALA 71 -6.471 4.518 -4.382 625 HB2 ALA 71 1HB ALA 71 -7.646 5.192 -3.254 626 HB3 ALA 71 2HB ALA 71 -6.802 6.251 -4.388 627 H GLN 72 H GLN 72 -8.435 7.442 -6.171 628 HA GLN 72 HA GLN 72 -10.550 8.478 -4.525 629 HB2 GLN 72 2HB GLN 72 -9.096 9.662 -6.918 630 HB3 GLN 72 3HB GLN 72 -10.319 10.538 -5.996 631 HG2 GLN 72 2HG GLN 72 -8.925 10.389 -3.971 632 HG3 GLN 72 3HG GLN 72 -7.710 9.472 -4.869 633 HE21 GLN 72 1HE2 GLN 72 -6.543 10.554 -6.552 634 HE22 GLN 72 2HE2 GLN 72 -6.392 12.273 -6.566 635 H LYS 73 H LYS 73 -10.379 7.241 -7.870 636 HA LYS 73 HA LYS 73 -12.948 8.065 -8.721 637 HB2 LYS 73 2HB LYS 73 -11.604 5.471 -9.607 638 HB3 LYS 73 3HB LYS 73 -12.815 6.396 -10.485 639 HG2 LYS 73 2HG LYS 73 -9.915 7.074 -10.030 640 HG3 LYS 73 3HG LYS 73 -10.721 6.768 -11.564 641 HD2 LYS 73 2HD LYS 73 -11.884 8.903 -11.450 642 HD3 LYS 73 3HD LYS 73 -11.346 9.168 -9.790 643 HE2 LYS 73 2HE LYS 73 -8.973 9.230 -10.639 644 HE3 LYS 73 3HE LYS 73 -9.611 9.164 -12.284 645 HZ1 LYS 73 3HZ LYS 73 -10.719 11.242 -11.944 646 HZ2 LYS 73 1HZ LYS 73 -9.098 11.431 -11.500 647 HZ3 LYS 73 2HZ LYS 73 -10.294 11.278 -10.310 648 H MET 74 H MET 74 -11.835 5.276 -6.890 649 HA MET 74 HA MET 74 -14.559 4.243 -6.481 650 HB2 MET 74 2HB MET 74 -11.914 3.186 -5.389 651 HB3 MET 74 3HB MET 74 -13.471 2.364 -5.345 652 HG2 MET 74 2HG MET 74 -13.413 2.475 -7.912 653 HG3 MET 74 3HG MET 74 -11.712 2.907 -7.729 654 HE1 MET 74 3HE MET 74 -12.460 0.321 -9.447 655 HE2 MET 74 1HE MET 74 -11.250 -0.784 -8.788 656 HE3 MET 74 2HE MET 74 -10.829 0.900 -9.088 657 H GLU 75 H GLU 75 -12.684 6.591 -5.159 658 HA GLU 75 HA GLU 75 -12.745 7.963 -3.375 659 HB2 GLU 75 2HB GLU 75 -15.456 6.684 -2.890 660 HB3 GLU 75 3HB GLU 75 -14.896 8.179 -2.151 661 HG2 GLU 75 2HG GLU 75 -14.784 9.246 -4.374 662 HG3 GLU 75 3HG GLU 75 -15.321 7.742 -5.121 663 H ILE 76 H ILE 76 -11.794 5.064 -2.941 664 HA ILE 76 HA ILE 76 -12.491 4.277 -0.288 665 HB ILE 76 HB ILE 76 -10.121 3.386 -2.004 666 HG12 ILE 76 2HG1 ILE 76 -12.859 2.077 -1.626 667 HG13 ILE 76 3HG1 ILE 76 -12.379 3.010 -3.039 668 HG21 ILE 76 1HG2 ILE 76 -10.031 1.358 -0.568 669 HG22 ILE 76 2HG2 ILE 76 -11.314 2.014 0.451 670 HG23 ILE 76 3HG2 ILE 76 -9.747 2.818 0.384 671 HD11 ILE 76 3HD1 ILE 76 -12.250 0.669 -3.496 672 HD12 ILE 76 1HD1 ILE 76 -11.174 0.415 -2.122 673 HD13 ILE 76 2HD1 ILE 76 -10.632 1.364 -3.511 674 H ASP 77 H ASP 77 -11.383 4.490 1.638 675 HA ASP 77 HA ASP 77 -9.785 6.823 2.043 676 HB2 ASP 77 2HB ASP 77 -10.501 4.544 3.939 677 HB3 ASP 77 3HB ASP 77 -9.716 6.045 4.429 678 H VAL 78 H VAL 78 -7.861 6.702 0.999 679 HA VAL 78 HA VAL 78 -5.984 4.489 1.617 680 HB VAL 78 HB VAL 78 -6.393 5.971 -1.034 681 HG11 VAL 78 1HG1 VAL 78 -4.564 4.582 -1.951 682 HG12 VAL 78 2HG1 VAL 78 -4.245 3.928 -0.343 683 HG13 VAL 78 3HG1 VAL 78 -3.988 5.642 -0.667 684 HG21 VAL 78 3HG2 VAL 78 -8.026 4.161 -0.623 685 HG22 VAL 78 1HG2 VAL 78 -6.710 3.016 -0.358 686 HG23 VAL 78 2HG2 VAL 78 -6.943 3.742 -1.948 687 H ARG 79 H ARG 79 -3.988 5.070 2.270 688 HA ARG 79 HA ARG 79 -3.066 7.868 2.059 689 HB2 ARG 79 2HB ARG 79 -3.242 6.244 4.358 690 HB3 ARG 79 3HB ARG 79 -1.557 6.054 3.900 691 HG2 ARG 79 2HG ARG 79 -1.823 7.855 5.527 692 HG3 ARG 79 3HG ARG 79 -1.261 8.519 3.988 693 HD2 ARG 79 2HD ARG 79 -3.511 9.269 3.445 694 HD3 ARG 79 3HD ARG 79 -4.170 8.485 4.880 695 HE ARG 79 HE ARG 79 -2.209 10.372 5.644 696 HH11 ARG 79 1HH1 ARG 79 -5.474 10.246 4.327 697 HH12 ARG 79 2HH1 ARG 79 -5.942 11.771 5.015 698 HH21 ARG 79 1HH2 ARG 79 -2.875 12.355 6.601 699 HH22 ARG 79 2HH2 ARG 79 -4.472 12.954 6.296 700 H THR 80 H THR 80 -1.649 8.077 0.432 701 HA THR 80 HA THR 80 -0.192 5.736 -0.626 702 HB THR 80 HB THR 80 0.176 7.461 -2.604 703 HG1 THR 80 HG1 THR 80 -0.686 9.314 -2.018 704 HG21 THR 80 3HG2 THR 80 -2.586 6.268 -2.173 705 HG22 THR 80 1HG2 THR 80 -1.189 5.405 -2.827 706 HG23 THR 80 2HG2 THR 80 -1.879 6.765 -3.713 707 H ARG 81 H ARG 81 1.910 5.654 -0.287 708 HA ARG 81 HA ARG 81 3.519 8.079 0.223 709 HB2 ARG 81 2HB ARG 81 3.711 5.410 1.706 710 HB3 ARG 81 3HB ARG 81 4.831 6.751 1.902 711 HG2 ARG 81 2HG ARG 81 1.880 6.819 2.597 712 HG3 ARG 81 3HG ARG 81 3.198 6.597 3.750 713 HD2 ARG 81 2HD ARG 81 4.072 8.830 3.212 714 HD3 ARG 81 3HD ARG 81 2.808 9.055 1.998 715 HE ARG 81 HE ARG 81 2.244 8.727 4.886 716 HH11 ARG 81 1HH1 ARG 81 1.675 10.394 1.853 717 HH12 ARG 81 2HH1 ARG 81 0.459 11.442 2.510 718 HH21 ARG 81 1HH2 ARG 81 0.660 10.115 5.758 719 HH22 ARG 81 2HH2 ARG 81 -0.116 11.287 4.729 720 H LYS 82 H LYS 82 5.184 8.194 -1.151 721 HA LYS 82 HA LYS 82 5.984 5.952 -2.823 722 HB2 LYS 82 2HB LYS 82 5.761 8.198 -3.832 723 HB3 LYS 82 3HB LYS 82 6.957 8.847 -2.715 724 HG2 LYS 82 2HG LYS 82 8.715 7.481 -3.752 725 HG3 LYS 82 3HG LYS 82 7.527 6.725 -4.818 726 HD2 LYS 82 2HD LYS 82 8.814 8.482 -5.991 727 HD3 LYS 82 3HD LYS 82 7.096 8.872 -5.921 728 HE2 LYS 82 2HE LYS 82 8.436 10.864 -5.494 729 HE3 LYS 82 3HE LYS 82 7.545 10.429 -4.037 730 HZ1 LYS 82 3HZ LYS 82 10.406 9.874 -4.581 731 HZ2 LYS 82 1HZ LYS 82 9.577 9.386 -3.190 732 HZ3 LYS 82 2HZ LYS 82 9.801 11.031 -3.510 733 H VAL 83 H VAL 83 7.940 4.912 -2.701 734 HA VAL 83 HA VAL 83 9.770 5.507 -0.469 735 HB VAL 83 HB VAL 83 10.003 3.104 0.042 736 HG11 VAL 83 1HG1 VAL 83 7.098 4.009 0.155 737 HG12 VAL 83 2HG1 VAL 83 8.356 4.376 1.339 738 HG13 VAL 83 3HG1 VAL 83 7.807 2.715 1.125 739 HG21 VAL 83 3HG2 VAL 83 7.776 2.589 -1.983 740 HG22 VAL 83 1HG2 VAL 83 8.484 1.385 -0.902 741 HG23 VAL 83 2HG2 VAL 83 9.466 2.120 -2.167 742 H THR 84 H THR 84 11.846 5.449 -1.013 743 HA THR 84 HA THR 84 12.695 4.431 -3.668 744 HB THR 84 HB THR 84 14.643 5.998 -3.382 745 HG1 THR 84 HG1 THR 84 14.891 7.119 -1.597 746 HG21 THR 84 3HG2 THR 84 13.436 8.110 -3.799 747 HG22 THR 84 1HG2 THR 84 11.945 7.404 -3.170 748 HG23 THR 84 2HG2 THR 84 12.658 6.784 -4.662 749 H SER 85 H SER 85 13.140 4.338 -0.212 750 HA SER 85 HA SER 85 15.146 2.179 -0.426 751 HB2 SER 85 2HB SER 85 14.764 4.219 1.818 752 HB3 SER 85 3HB SER 85 15.970 2.930 1.794 753 HG SER 85 HG SER 85 16.945 3.909 0.038 754 HA PRO 86 HA PRO 86 12.107 -0.524 1.707 755 HB2 PRO 86 2HB PRO 86 14.603 -1.567 3.074 756 HB3 PRO 86 3HB PRO 86 13.285 -2.466 2.283 757 HG2 PRO 86 2HG PRO 86 15.597 -2.183 1.041 758 HG3 PRO 86 3HG PRO 86 14.076 -2.023 0.132 759 HD2 PRO 86 2HD PRO 86 15.942 0.138 1.092 760 HD3 PRO 86 3HD PRO 86 15.043 0.020 -0.437 761 H ASP 87 H ASP 87 14.665 1.189 3.505 762 HA ASP 87 HA ASP 87 13.684 1.124 6.109 763 HB2 ASP 87 2HB ASP 87 15.889 2.064 5.518 764 HB3 ASP 87 3HB ASP 87 15.119 3.411 4.687 765 H GLU 88 H GLU 88 12.801 3.271 3.445 766 HA GLU 88 HA GLU 88 11.021 4.938 4.906 767 HB2 GLU 88 2HB GLU 88 11.152 4.403 1.904 768 HB3 GLU 88 3HB GLU 88 10.215 5.689 2.662 769 HG2 GLU 88 2HG GLU 88 13.224 5.402 2.590 770 HG3 GLU 88 3HG GLU 88 12.245 6.644 1.813 771 H ALA 89 H ALA 89 10.546 2.006 2.940 772 HA ALA 89 HA ALA 89 7.730 1.907 2.966 773 HB1 ALA 89 3HB ALA 89 9.095 0.491 1.495 774 HB2 ALA 89 1HB ALA 89 7.986 -0.495 2.450 775 HB3 ALA 89 2HB ALA 89 9.696 -0.408 2.889 776 H LYS 90 H LYS 90 10.130 0.504 5.173 777 HA LYS 90 HA LYS 90 8.420 -0.744 7.010 778 HB2 LYS 90 2HB LYS 90 11.239 0.384 7.317 779 HB3 LYS 90 3HB LYS 90 10.469 -0.683 8.488 780 HG2 LYS 90 2HG LYS 90 10.418 -2.508 6.880 781 HG3 LYS 90 3HG LYS 90 10.994 -1.446 5.599 782 HD2 LYS 90 2HD LYS 90 12.830 -2.854 6.349 783 HD3 LYS 90 3HD LYS 90 13.165 -1.187 6.806 784 HE2 LYS 90 2HE LYS 90 11.975 -3.199 8.739 785 HE3 LYS 90 3HE LYS 90 13.711 -2.988 8.538 786 HZ1 LYS 90 3HZ LYS 90 11.778 -0.942 9.490 787 HZ2 LYS 90 1HZ LYS 90 13.401 -0.623 9.139 788 HZ3 LYS 90 2HZ LYS 90 12.997 -1.693 10.384 789 H ARG 91 H ARG 91 9.803 2.533 6.893 790 HA ARG 91 HA ARG 91 8.961 3.519 9.374 791 HB2 ARG 91 2HB ARG 91 10.524 4.880 8.243 792 HB3 ARG 91 3HB ARG 91 9.629 4.842 6.730 793 HG2 ARG 91 2HG ARG 91 7.969 6.397 7.604 794 HG3 ARG 91 3HG ARG 91 8.698 6.352 9.208 795 HD2 ARG 91 2HD ARG 91 10.159 7.362 6.737 796 HD3 ARG 91 3HD ARG 91 9.230 8.408 7.812 797 HE ARG 91 HE ARG 91 10.786 8.041 9.538 798 HH11 ARG 91 1HH1 ARG 91 11.839 6.472 6.569 799 HH12 ARG 91 2HH1 ARG 91 13.479 6.307 7.106 800 HH21 ARG 91 1HH2 ARG 91 12.909 7.827 10.222 801 HH22 ARG 91 2HH2 ARG 91 14.091 7.082 9.187 802 H TRP 92 H TRP 92 7.309 3.963 6.168 803 HA TRP 92 HA TRP 92 5.084 5.264 7.194 804 HB2 TRP 92 2HB TRP 92 5.359 3.661 4.629 805 HB3 TRP 92 3HB TRP 92 4.038 4.776 4.980 806 HD1 TRP 92 HD1 TRP 92 7.083 4.779 3.053 807 HE1 TRP 92 HE1 TRP 92 8.050 7.136 2.739 808 HE3 TRP 92 HE3 TRP 92 4.402 7.238 6.639 809 HZ2 TRP 92 HZ2 TRP 92 7.713 9.701 3.840 810 HZ3 TRP 92 HZ3 TRP 92 4.775 9.651 6.945 811 HH2 TRP 92 HH2 TRP 92 6.398 10.860 5.572 812 H ILE 93 H ILE 93 5.687 1.834 6.975 813 HA ILE 93 HA ILE 93 3.036 0.899 7.482 814 HB ILE 93 HB ILE 93 5.815 -0.302 7.818 815 HG12 ILE 93 2HG1 ILE 93 3.527 -0.998 5.914 816 HG13 ILE 93 3HG1 ILE 93 4.896 0.031 5.507 817 HG21 ILE 93 1HG2 ILE 93 3.233 -1.791 8.381 818 HG22 ILE 93 2HG2 ILE 93 4.432 -1.331 9.584 819 HG23 ILE 93 3HG2 ILE 93 4.845 -2.500 8.330 820 HD11 ILE 93 3HD1 ILE 93 5.217 -2.148 4.597 821 HD12 ILE 93 1HD1 ILE 93 4.989 -2.898 6.177 822 HD13 ILE 93 2HD1 ILE 93 6.399 -1.877 5.878 823 H LYS 94 H LYS 94 5.851 1.653 9.565 824 HA LYS 94 HA LYS 94 4.653 1.186 12.058 825 HB2 LYS 94 2HB LYS 94 7.109 1.477 11.659 826 HB3 LYS 94 3HB LYS 94 6.846 3.197 11.386 827 HG2 LYS 94 2HG LYS 94 6.048 3.450 13.710 828 HG3 LYS 94 3HG LYS 94 6.274 1.719 13.977 829 HD2 LYS 94 2HD LYS 94 8.158 2.891 14.941 830 HD3 LYS 94 3HD LYS 94 8.723 2.007 13.523 831 HE2 LYS 94 2HE LYS 94 9.731 4.225 13.592 832 HE3 LYS 94 3HE LYS 94 8.648 4.110 12.207 833 HZ1 LYS 94 3HZ LYS 94 7.954 5.379 14.804 834 HZ2 LYS 94 1HZ LYS 94 6.986 5.342 13.417 835 HZ3 LYS 94 2HZ LYS 94 8.432 6.215 13.414 836 H GLU 95 H GLU 95 4.729 4.183 10.066 837 HA GLU 95 HA GLU 95 3.574 5.930 11.972 838 HB2 GLU 95 2HB GLU 95 3.304 6.208 8.946 839 HB3 GLU 95 3HB GLU 95 3.196 7.489 10.143 840 HG2 GLU 95 2HG GLU 95 5.665 5.992 9.256 841 HG3 GLU 95 3HG GLU 95 5.293 7.689 9.011 842 H PHE 96 H PHE 96 2.201 3.935 9.437 843 HA PHE 96 HA PHE 96 -0.520 4.748 9.579 844 HB2 PHE 96 2HB PHE 96 0.544 3.677 7.615 845 HB3 PHE 96 3HB PHE 96 0.775 2.197 8.527 846 HD1 PHE 96 HD1 PHE 96 -1.893 4.467 7.180 847 HD2 PHE 96 HD2 PHE 96 -0.885 0.502 8.445 848 HE1 PHE 96 HE1 PHE 96 -4.033 3.631 6.291 849 HE2 PHE 96 HE2 PHE 96 -3.026 -0.321 7.561 850 HZ PHE 96 HZ PHE 96 -4.595 1.236 6.485 851 H SER 97 H SER 97 1.382 2.444 11.383 852 HA SER 97 HA SER 97 -0.875 1.115 12.620 853 HB2 SER 97 2HB SER 97 1.227 -0.092 12.098 854 HB3 SER 97 3HB SER 97 2.116 0.947 13.213 855 HG SER 97 HG SER 97 0.134 -0.992 13.760 856 H GLU 98 H GLU 98 1.547 3.584 13.463 857 HA GLU 98 HA GLU 98 0.932 3.824 16.223 858 HB2 GLU 98 2HB GLU 98 2.321 5.736 14.312 859 HB3 GLU 98 3HB GLU 98 2.162 6.050 16.039 860 HG2 GLU 98 2HG GLU 98 3.463 4.037 16.556 861 HG3 GLU 98 3HG GLU 98 3.592 3.655 14.842 862 H GLU 99 H GLU 99 -0.319 5.469 13.343 863 HA GLU 99 HA GLU 99 -1.872 7.429 14.737 864 HB2 GLU 99 2HB GLU 99 -2.978 7.889 12.629 865 HB3 GLU 99 3HB GLU 99 -1.260 7.675 12.326 866 HG2 GLU 99 2HG GLU 99 -1.586 5.550 11.308 867 HG3 GLU 99 3HG GLU 99 -3.230 5.408 11.920 868 H GLY 100 H GLY 100 -2.340 4.081 13.975 869 HA2 GLY 100 2HA GLY 100 -3.891 2.550 14.649 870 HA3 GLY 100 3HA GLY 100 -4.636 3.797 15.638 871 H GLY 101 H GLY 101 -6.157 5.222 14.670 872 HA2 GLY 101 2HA GLY 101 -7.500 4.135 12.247 873 HA3 GLY 101 3HA GLY 101 -8.347 4.799 13.636 874 H SER 102 H SER 102 -7.865 7.075 14.174 875 HA SER 102 HA SER 102 -7.641 9.271 13.842 876 HB2 SER 102 2HB SER 102 -6.304 8.697 11.170 877 HB3 SER 102 3HB SER 102 -6.283 10.222 12.061 878 HG SER 102 HG SER 102 -4.727 8.034 12.355 879 H LEU 103 H LEU 103 -8.801 7.560 10.943 880 HA LEU 103 HA LEU 103 -10.091 9.741 9.698 881 HB2 LEU 103 2HB LEU 103 -10.628 6.769 9.357 882 HB3 LEU 103 3HB LEU 103 -11.109 8.032 8.235 883 HG LEU 103 HG LEU 103 -8.266 7.121 8.839 884 HD11 LEU 103 1HD1 LEU 103 -9.876 6.945 6.274 885 HD12 LEU 103 2HD1 LEU 103 -9.508 5.611 7.369 886 HD13 LEU 103 3HD1 LEU 103 -8.204 6.414 6.502 887 HD21 LEU 103 3HD2 LEU 103 -7.489 8.736 7.142 888 HD22 LEU 103 1HD2 LEU 103 -8.227 9.547 8.523 889 HD23 LEU 103 2HD2 LEU 103 -9.123 9.393 7.011 890 H GLU 104 H GLU 104 -11.361 7.078 11.710 891 HA GLU 104 HA GLU 104 -13.986 8.375 11.885 892 HB2 GLU 104 2HB GLU 104 -13.085 5.661 12.937 893 HB3 GLU 104 3HB GLU 104 -14.722 6.290 13.054 894 HG2 GLU 104 2HG GLU 104 -13.227 5.512 10.529 895 HG3 GLU 104 3HG GLU 104 -14.654 4.738 11.221 896 H HIS 105 H HIS 105 -11.491 9.473 13.248 897 HA HIS 105 HA HIS 105 -12.667 10.011 15.848 898 HB2 HIS 105 2HB HIS 105 -10.650 11.549 14.154 899 HB3 HIS 105 3HB HIS 105 -11.263 12.174 15.683 900 HD1 HIS 105 HD1 HIS 105 -8.233 11.182 14.896 901 HD2 HIS 105 HD2 HIS 105 -10.996 9.314 17.384 902 HE1 HIS 105 HE1 HIS 105 -6.882 9.729 16.451 903 HE2 HIS 105 HE2 HIS 105 -8.576 8.568 17.896 904 H HIS 106 H HIS 106 -13.385 10.778 12.589 905 HA HIS 106 HA HIS 106 -15.477 12.711 13.192 906 HB2 HIS 106 2HB HIS 106 -15.010 10.965 10.718 907 HB3 HIS 106 3HB HIS 106 -16.130 12.320 10.816 908 HD1 HIS 106 HD1 HIS 106 -12.964 11.575 9.464 909 HD2 HIS 106 HD2 HIS 106 -14.489 14.820 11.566 910 HE1 HIS 106 HE1 HIS 106 -11.437 13.496 8.946 911 HE2 HIS 106 HE2 HIS 106 -12.387 15.447 10.201 912 H HIS 107 H HIS 107 -17.730 11.741 11.998 913 HA HIS 107 HA HIS 107 -18.153 8.916 12.584 914 HB2 HIS 107 2HB HIS 107 -18.881 10.073 14.692 915 HB3 HIS 107 3HB HIS 107 -20.054 11.007 13.761 916 HD1 HIS 107 HD1 HIS 107 -22.267 9.854 13.222 917 HD2 HIS 107 HD2 HIS 107 -19.460 7.256 14.849 918 HE1 HIS 107 HE1 HIS 107 -23.506 7.717 13.667 919 HE2 HIS 107 HE2 HIS 107 -21.738 6.107 14.422 920 H HIS 108 H HIS 108 -18.660 8.284 10.611 921 HA HIS 108 HA HIS 108 -20.430 9.840 8.866 922 HB2 HIS 108 2HB HIS 108 -18.909 7.234 8.397 923 HB3 HIS 108 3HB HIS 108 -19.883 8.060 7.183 924 HD1 HIS 108 HD1 HIS 108 -16.559 8.117 8.809 925 HD2 HIS 108 HD2 HIS 108 -18.743 10.540 6.230 926 HE1 HIS 108 HE1 HIS 108 -14.918 9.760 7.880 927 HE2 HIS 108 HE2 HIS 108 -16.270 11.276 6.397 928 H HIS 109 H HIS 109 -22.514 9.659 9.413 929 HA HIS 109 HA HIS 109 -23.628 7.438 10.843 930 HB2 HIS 109 2HB HIS 109 -24.406 9.738 11.234 931 HB3 HIS 109 3HB HIS 109 -24.974 9.863 9.576 932 HD1 HIS 109 HD1 HIS 109 -25.760 8.041 12.812 933 HD2 HIS 109 HD2 HIS 109 -27.575 8.991 9.190 934 HE1 HIS 109 HE1 HIS 109 -28.162 7.365 13.062 935 HE2 HIS 109 HE2 HIS 109 -29.183 7.763 10.808 936 H HIS 110 H HIS 110 -24.327 5.611 10.012 937 HA HIS 110 HA HIS 110 -25.492 5.480 7.289 938 HB2 HIS 110 2HB HIS 110 -23.604 3.473 8.608 939 HB3 HIS 110 3HB HIS 110 -24.532 3.126 7.153 940 HD1 HIS 110 HD1 HIS 110 -21.563 5.012 8.368 941 HD2 HIS 110 HD2 HIS 110 -23.608 4.398 4.807 942 HE1 HIS 110 HE1 HIS 110 -20.028 5.831 6.565 943 HE2 HIS 110 HE2 HIS 110 -21.261 5.411 4.415 Start of MODEL 15 1 H1 MET 1 1H MET 1 -10.965 -1.594 14.301 2 H2 MET 1 2H MET 1 -9.547 -2.437 13.934 3 H3 MET 1 3H MET 1 -11.007 -2.885 13.209 4 HA MET 1 HA MET 1 -11.139 -0.818 12.041 5 HB2 MET 1 2HB MET 1 -9.877 0.502 13.792 6 HB3 MET 1 3HB MET 1 -8.379 -0.215 13.207 7 HG2 MET 1 2HG MET 1 -8.670 2.026 12.294 8 HG3 MET 1 3HG MET 1 -8.772 0.829 10.993 9 HE1 MET 1 3HE MET 1 -9.846 3.828 10.610 10 HE2 MET 1 1HE MET 1 -11.373 3.503 9.790 11 HE3 MET 1 2HE MET 1 -9.933 2.575 9.370 12 H LEU 2 H LEU 2 -10.997 -1.743 10.078 13 HA LEU 2 HA LEU 2 -9.095 -3.716 9.335 14 HB2 LEU 2 2HB LEU 2 -10.931 -2.077 7.544 15 HB3 LEU 2 3HB LEU 2 -10.081 -3.536 7.062 16 HG LEU 2 HG LEU 2 -12.326 -3.358 9.106 17 HD11 LEU 2 1HD1 LEU 2 -13.621 -4.682 7.497 18 HD12 LEU 2 2HD1 LEU 2 -12.278 -4.631 6.352 19 HD13 LEU 2 3HD1 LEU 2 -13.114 -3.142 6.800 20 HD21 LEU 2 3HD2 LEU 2 -10.744 -5.797 8.231 21 HD22 LEU 2 1HD2 LEU 2 -12.206 -5.824 9.223 22 HD23 LEU 2 2HD2 LEU 2 -10.745 -5.055 9.833 23 H LEU 3 H LEU 3 -6.980 -3.235 9.140 24 HA LEU 3 HA LEU 3 -6.143 -0.793 7.677 25 HB2 LEU 3 2HB LEU 3 -4.682 -2.394 9.815 26 HB3 LEU 3 3HB LEU 3 -3.995 -1.023 8.955 27 HG LEU 3 HG LEU 3 -6.382 -0.941 10.844 28 HD11 LEU 3 1HD1 LEU 3 -4.256 -1.173 12.024 29 HD12 LEU 3 2HD1 LEU 3 -4.955 0.420 12.297 30 HD13 LEU 3 3HD1 LEU 3 -3.604 0.232 11.175 31 HD21 LEU 3 3HD2 LEU 3 -6.738 0.659 9.036 32 HD22 LEU 3 1HD2 LEU 3 -5.129 1.344 9.282 33 HD23 LEU 3 2HD2 LEU 3 -6.367 1.507 10.532 34 H TYR 4 H TYR 4 -5.517 -1.167 5.687 35 HA TYR 4 HA TYR 4 -4.176 -3.702 4.942 36 HB2 TYR 4 2HB TYR 4 -6.265 -2.075 3.440 37 HB3 TYR 4 3HB TYR 4 -5.255 -3.273 2.636 38 HD1 TYR 4 HD2 TYR 4 -8.005 -2.807 5.082 39 HD2 TYR 4 HD1 TYR 4 -5.608 -5.660 2.988 40 HE1 TYR 4 HE2 TYR 4 -9.561 -4.597 5.723 41 HE2 TYR 4 HE1 TYR 4 -7.166 -7.434 3.635 42 HH TYR 4 HH TYR 4 -10.212 -6.867 4.810 43 H VAL 5 H VAL 5 -2.394 -3.564 3.760 44 HA VAL 5 HA VAL 5 -1.336 -0.924 2.933 45 HB VAL 5 HB VAL 5 0.256 -3.355 3.931 46 HG11 VAL 5 1HG1 VAL 5 1.205 -0.547 3.254 47 HG12 VAL 5 2HG1 VAL 5 1.531 -2.014 2.328 48 HG13 VAL 5 3HG1 VAL 5 2.198 -1.831 3.948 49 HG21 VAL 5 3HG2 VAL 5 -0.998 -2.332 5.792 50 HG22 VAL 5 1HG2 VAL 5 -0.320 -0.748 5.403 51 HG23 VAL 5 2HG2 VAL 5 0.733 -2.046 5.974 52 H LEU 6 H LEU 6 -1.072 -0.782 0.776 53 HA LEU 6 HA LEU 6 -0.876 -3.194 -0.936 54 HB2 LEU 6 2HB LEU 6 -1.607 -0.316 -1.665 55 HB3 LEU 6 3HB LEU 6 -1.577 -1.668 -2.779 56 HG LEU 6 HG LEU 6 -3.533 -1.248 -0.495 57 HD11 LEU 6 1HD1 LEU 6 -3.995 0.141 -2.483 58 HD12 LEU 6 2HD1 LEU 6 -5.243 -1.072 -2.231 59 HD13 LEU 6 3HD1 LEU 6 -4.031 -1.308 -3.492 60 HD21 LEU 6 3HD2 LEU 6 -4.652 -3.296 -1.291 61 HD22 LEU 6 1HD2 LEU 6 -3.047 -3.599 -0.632 62 HD23 LEU 6 2HD2 LEU 6 -3.298 -3.596 -2.380 63 H ILE 7 H ILE 7 1.244 -3.609 -1.590 64 HA ILE 7 HA ILE 7 3.104 -1.298 -1.721 65 HB ILE 7 HB ILE 7 3.765 -2.889 -0.024 66 HG12 ILE 7 2HG1 ILE 7 5.627 -3.129 -2.430 67 HG13 ILE 7 3HG1 ILE 7 5.530 -1.725 -1.372 68 HG21 ILE 7 1HG2 ILE 7 3.871 -5.051 -2.148 69 HG22 ILE 7 2HG2 ILE 7 2.686 -4.940 -0.849 70 HG23 ILE 7 3HG2 ILE 7 4.385 -5.227 -0.468 71 HD11 ILE 7 3HD1 ILE 7 7.431 -3.144 -0.861 72 HD12 ILE 7 1HD1 ILE 7 6.345 -4.489 -0.522 73 HD13 ILE 7 2HD1 ILE 7 6.306 -3.045 0.490 74 H ILE 8 H ILE 8 3.443 -0.602 -3.724 75 HA ILE 8 HA ILE 8 3.730 -2.464 -6.002 76 HB ILE 8 HB ILE 8 3.603 0.597 -6.077 77 HG12 ILE 8 2HG1 ILE 8 1.312 -1.366 -6.532 78 HG13 ILE 8 3HG1 ILE 8 1.490 -0.329 -5.126 79 HG21 ILE 8 1HG2 ILE 8 3.217 -1.453 -8.302 80 HG22 ILE 8 2HG2 ILE 8 4.657 -0.460 -8.062 81 HG23 ILE 8 3HG2 ILE 8 3.122 0.301 -8.482 82 HD11 ILE 8 3HD1 ILE 8 -0.135 0.550 -6.659 83 HD12 ILE 8 1HD1 ILE 8 1.056 0.591 -7.957 84 HD13 ILE 8 2HD1 ILE 8 1.245 1.634 -6.543 85 H SER 9 H SER 9 5.841 -3.193 -5.895 86 HA SER 9 HA SER 9 7.932 -1.266 -6.544 87 HB2 SER 9 2HB SER 9 8.098 -1.457 -4.060 88 HB3 SER 9 3HB SER 9 8.269 -3.206 -4.205 89 HG SER 9 HG SER 9 10.198 -1.466 -4.208 90 H ASN 10 H ASN 10 9.755 -2.251 -7.533 91 HA ASN 10 HA ASN 10 9.239 -4.855 -8.790 92 HB2 ASN 10 2HB ASN 10 11.315 -2.696 -9.371 93 HB3 ASN 10 3HB ASN 10 11.229 -4.233 -10.233 94 HD21 ASN 10 1HD2 ASN 10 10.882 -1.462 -11.200 95 HD22 ASN 10 2HD2 ASN 10 9.339 -1.438 -11.975 96 H ASP 11 H ASP 11 11.362 -3.288 -6.491 97 HA ASP 11 HA ASP 11 13.372 -5.359 -6.435 98 HB2 ASP 11 2HB ASP 11 12.826 -2.992 -4.592 99 HB3 ASP 11 3HB ASP 11 14.181 -4.103 -4.379 100 H LYS 12 H LYS 12 12.860 -7.275 -5.704 101 HA LYS 12 HA LYS 12 10.745 -7.974 -3.966 102 HB2 LYS 12 2HB LYS 12 13.245 -9.603 -4.598 103 HB3 LYS 12 3HB LYS 12 11.753 -10.236 -3.916 104 HG2 LYS 12 2HG LYS 12 12.057 -9.028 -6.680 105 HG3 LYS 12 3HG LYS 12 11.956 -10.753 -6.316 106 HD2 LYS 12 2HD LYS 12 9.671 -10.494 -5.502 107 HD3 LYS 12 3HD LYS 12 9.767 -8.739 -5.683 108 HE2 LYS 12 2HE LYS 12 9.892 -10.762 -7.944 109 HE3 LYS 12 3HE LYS 12 8.508 -9.746 -7.533 110 HZ1 LYS 12 3HZ LYS 12 9.860 -7.792 -8.015 111 HZ2 LYS 12 1HZ LYS 12 9.743 -8.806 -9.361 112 HZ3 LYS 12 2HZ LYS 12 11.162 -8.779 -8.447 113 H LYS 13 H LYS 13 13.979 -6.918 -3.343 114 HA LYS 13 HA LYS 13 14.300 -7.680 -0.643 115 HB2 LYS 13 2HB LYS 13 15.363 -5.276 -2.197 116 HB3 LYS 13 3HB LYS 13 15.929 -5.748 -0.594 117 HG2 LYS 13 2HG LYS 13 16.835 -7.829 -1.447 118 HG3 LYS 13 3HG LYS 13 16.100 -7.554 -3.030 119 HD2 LYS 13 2HD LYS 13 18.491 -7.041 -3.125 120 HD3 LYS 13 3HD LYS 13 17.549 -5.570 -3.358 121 HE2 LYS 13 2HE LYS 13 17.913 -5.098 -0.873 122 HE3 LYS 13 3HE LYS 13 19.077 -6.422 -0.883 123 HZ1 LYS 13 3HZ LYS 13 20.321 -5.238 -2.599 124 HZ2 LYS 13 1HZ LYS 13 20.179 -4.320 -1.188 125 HZ3 LYS 13 2HZ LYS 13 19.223 -3.957 -2.533 126 H LEU 14 H LEU 14 13.066 -4.637 -2.126 127 HA LEU 14 HA LEU 14 12.248 -3.365 0.243 128 HB2 LEU 14 2HB LEU 14 12.567 -2.326 -2.062 129 HB3 LEU 14 3HB LEU 14 11.000 -2.958 -2.508 130 HG LEU 14 HG LEU 14 11.226 -1.096 -0.111 131 HD11 LEU 14 1HD1 LEU 14 12.431 0.089 -1.866 132 HD12 LEU 14 2HD1 LEU 14 10.890 0.873 -1.540 133 HD13 LEU 14 3HD1 LEU 14 11.080 -0.131 -2.982 134 HD21 LEU 14 3HD2 LEU 14 8.953 -0.409 -0.744 135 HD22 LEU 14 1HD2 LEU 14 9.047 -2.152 -0.497 136 HD23 LEU 14 2HD2 LEU 14 9.001 -1.499 -2.134 137 H ILE 15 H ILE 15 10.545 -5.558 -1.924 138 HA ILE 15 HA ILE 15 7.958 -5.318 -0.869 139 HB ILE 15 HB ILE 15 9.211 -7.630 -2.395 140 HG12 ILE 15 2HG1 ILE 15 7.393 -5.336 -3.305 141 HG13 ILE 15 3HG1 ILE 15 9.113 -5.472 -3.643 142 HG21 ILE 15 1HG2 ILE 15 6.272 -7.172 -1.756 143 HG22 ILE 15 2HG2 ILE 15 7.279 -8.481 -1.135 144 HG23 ILE 15 3HG2 ILE 15 6.893 -8.407 -2.853 145 HD11 ILE 15 3HD1 ILE 15 6.945 -7.286 -4.679 146 HD12 ILE 15 1HD1 ILE 15 8.671 -7.473 -4.992 147 HD13 ILE 15 2HD1 ILE 15 7.816 -6.050 -5.583 148 H GLU 16 H GLU 16 10.529 -7.650 -0.158 149 HA GLU 16 HA GLU 16 9.052 -9.035 1.859 150 HB2 GLU 16 2HB GLU 16 12.021 -9.050 1.241 151 HB3 GLU 16 3HB GLU 16 11.268 -10.070 2.468 152 HG2 GLU 16 2HG GLU 16 9.794 -11.037 0.671 153 HG3 GLU 16 3HG GLU 16 10.725 -10.126 -0.517 154 H GLU 17 H GLU 17 11.301 -6.284 1.997 155 HA GLU 17 HA GLU 17 11.725 -6.221 4.797 156 HB2 GLU 17 2HB GLU 17 11.805 -4.071 2.661 157 HB3 GLU 17 3HB GLU 17 12.110 -3.679 4.346 158 HG2 GLU 17 2HG GLU 17 13.696 -5.715 2.766 159 HG3 GLU 17 3HG GLU 17 14.169 -4.033 2.970 160 H ALA 18 H ALA 18 9.309 -4.560 2.789 161 HA ALA 18 HA ALA 18 7.886 -3.375 4.972 162 HB1 ALA 18 3HB ALA 18 6.224 -2.774 3.262 163 HB2 ALA 18 1HB ALA 18 7.032 -3.825 2.096 164 HB3 ALA 18 2HB ALA 18 7.862 -2.400 2.725 165 H ARG 19 H ARG 19 7.624 -6.427 3.189 166 HA ARG 19 HA ARG 19 5.105 -7.297 4.110 167 HB2 ARG 19 2HB ARG 19 6.254 -8.425 2.245 168 HB3 ARG 19 3HB ARG 19 7.538 -8.962 3.324 169 HG2 ARG 19 2HG ARG 19 5.928 -10.372 4.553 170 HG3 ARG 19 3HG ARG 19 4.628 -9.821 3.495 171 HD2 ARG 19 2HD ARG 19 5.471 -12.064 2.869 172 HD3 ARG 19 3HD ARG 19 5.690 -10.889 1.573 173 HE ARG 19 HE ARG 19 7.925 -11.270 1.676 174 HH11 ARG 19 1HH1 ARG 19 6.643 -12.300 4.802 175 HH12 ARG 19 2HH1 ARG 19 8.164 -12.934 5.331 176 HH21 ARG 19 1HH2 ARG 19 9.877 -12.149 2.385 177 HH22 ARG 19 2HH2 ARG 19 9.988 -12.850 3.969 178 H LYS 20 H LYS 20 8.371 -7.687 5.458 179 HA LYS 20 HA LYS 20 7.777 -9.339 7.646 180 HB2 LYS 20 2HB LYS 20 9.913 -7.164 7.484 181 HB3 LYS 20 3HB LYS 20 9.835 -8.393 8.737 182 HG2 LYS 20 2HG LYS 20 10.378 -8.848 5.795 183 HG3 LYS 20 3HG LYS 20 11.546 -8.950 7.107 184 HD2 LYS 20 2HD LYS 20 10.331 -10.892 8.046 185 HD3 LYS 20 3HD LYS 20 9.144 -10.785 6.739 186 HE2 LYS 20 2HE LYS 20 10.784 -12.541 6.270 187 HE3 LYS 20 3HE LYS 20 10.930 -11.245 5.085 188 HZ1 LYS 20 3HZ LYS 20 12.832 -10.400 6.318 189 HZ2 LYS 20 1HZ LYS 20 13.087 -11.999 5.837 190 HZ3 LYS 20 2HZ LYS 20 12.691 -11.650 7.444 191 H MET 21 H MET 21 7.876 -5.778 7.387 192 HA MET 21 HA MET 21 7.121 -5.225 10.065 193 HB2 MET 21 2HB MET 21 7.470 -3.609 7.564 194 HB3 MET 21 3HB MET 21 6.409 -2.906 8.771 195 HG2 MET 21 2HG MET 21 8.930 -3.865 9.951 196 HG3 MET 21 3HG MET 21 9.166 -2.654 8.699 197 HE1 MET 21 3HE MET 21 7.251 -3.410 12.115 198 HE2 MET 21 1HE MET 21 5.943 -2.792 11.108 199 HE3 MET 21 2HE MET 21 6.552 -1.826 12.456 200 H ALA 22 H ALA 22 5.180 -5.693 7.142 201 HA ALA 22 HA ALA 22 2.680 -4.922 8.180 202 HB1 ALA 22 3HB ALA 22 3.286 -7.036 6.086 203 HB2 ALA 22 1HB ALA 22 3.083 -5.310 5.785 204 HB3 ALA 22 2HB ALA 22 1.717 -6.271 6.357 205 H GLU 23 H GLU 23 4.401 -8.036 8.261 206 HA GLU 23 HA GLU 23 2.339 -9.539 9.571 207 HB2 GLU 23 2HB GLU 23 5.328 -10.084 9.245 208 HB3 GLU 23 3HB GLU 23 4.153 -11.265 9.816 209 HG2 GLU 23 2HG GLU 23 3.037 -11.307 7.670 210 HG3 GLU 23 3HG GLU 23 3.994 -9.950 7.087 211 H LYS 24 H LYS 24 5.167 -7.717 10.668 212 HA LYS 24 HA LYS 24 5.202 -8.566 13.405 213 HB2 LYS 24 2HB LYS 24 6.358 -6.078 12.059 214 HB3 LYS 24 3HB LYS 24 6.669 -6.516 13.737 215 HG2 LYS 24 2HG LYS 24 7.890 -8.488 13.089 216 HG3 LYS 24 3HG LYS 24 7.399 -8.305 11.400 217 HD2 LYS 24 2HD LYS 24 8.685 -6.183 11.260 218 HD3 LYS 24 3HD LYS 24 9.187 -6.382 12.943 219 HE2 LYS 24 2HE LYS 24 10.356 -8.480 12.336 220 HE3 LYS 24 3HE LYS 24 9.864 -8.261 10.653 221 HZ1 LYS 24 3HZ LYS 24 12.132 -7.507 11.089 222 HZ2 LYS 24 1HZ LYS 24 11.555 -6.363 12.192 223 HZ3 LYS 24 2HZ LYS 24 11.150 -6.239 10.553 224 H ALA 25 H ALA 25 3.879 -5.744 11.711 225 HA ALA 25 HA ALA 25 2.710 -4.578 14.114 226 HB1 ALA 25 3HB ALA 25 2.501 -3.698 11.206 227 HB2 ALA 25 1HB ALA 25 3.686 -3.125 12.381 228 HB3 ALA 25 2HB ALA 25 1.975 -2.771 12.615 229 H ASN 26 H ASN 26 1.832 -7.093 12.181 230 HA ASN 26 HA ASN 26 0.010 -8.396 11.977 231 HB2 ASN 26 2HB ASN 26 -0.940 -6.732 14.341 232 HB3 ASN 26 3HB ASN 26 -1.878 -8.069 13.695 233 HD21 ASN 26 1HD2 ASN 26 1.673 -8.000 14.054 234 HD22 ASN 26 2HD2 ASN 26 1.735 -9.250 15.236 235 H LEU 27 H LEU 27 0.242 -5.921 10.432 236 HA LEU 27 HA LEU 27 -2.520 -5.217 9.735 237 HB2 LEU 27 2HB LEU 27 0.080 -4.323 8.418 238 HB3 LEU 27 3HB LEU 27 -1.510 -3.604 8.206 239 HG LEU 27 HG LEU 27 0.209 -3.499 10.713 240 HD11 LEU 27 1HD1 LEU 27 0.986 -1.990 8.975 241 HD12 LEU 27 2HD1 LEU 27 0.272 -1.072 10.296 242 HD13 LEU 27 3HD1 LEU 27 -0.630 -1.309 8.799 243 HD21 LEU 27 3HD2 LEU 27 -2.579 -2.384 10.308 244 HD22 LEU 27 1HD2 LEU 27 -1.537 -2.049 11.693 245 HD23 LEU 27 2HD2 LEU 27 -2.114 -3.687 11.401 246 H GLU 28 H GLU 28 -3.360 -5.602 7.594 247 HA GLU 28 HA GLU 28 -2.448 -8.077 6.362 248 HB2 GLU 28 2HB GLU 28 -4.903 -6.339 6.159 249 HB3 GLU 28 3HB GLU 28 -4.520 -7.352 4.776 250 HG2 GLU 28 2HG GLU 28 -4.891 -8.386 7.602 251 HG3 GLU 28 3HG GLU 28 -6.137 -8.386 6.355 252 H LEU 29 H LEU 29 -1.038 -8.134 4.715 253 HA LEU 29 HA LEU 29 -0.538 -5.686 3.129 254 HB2 LEU 29 2HB LEU 29 1.418 -6.939 4.204 255 HB3 LEU 29 3HB LEU 29 1.081 -8.271 3.116 256 HG LEU 29 HG LEU 29 1.379 -6.514 1.195 257 HD11 LEU 29 1HD1 LEU 29 1.346 -4.495 2.520 258 HD12 LEU 29 2HD1 LEU 29 2.882 -4.646 1.672 259 HD13 LEU 29 3HD1 LEU 29 2.792 -5.006 3.398 260 HD21 LEU 29 3HD2 LEU 29 2.952 -8.344 1.534 261 HD22 LEU 29 1HD2 LEU 29 3.818 -7.400 2.750 262 HD23 LEU 29 2HD2 LEU 29 3.786 -6.865 1.066 263 H ARG 30 H ARG 30 -0.662 -5.716 0.924 264 HA ARG 30 HA ARG 30 -1.403 -8.174 -0.548 265 HB2 ARG 30 2HB ARG 30 -2.366 -5.333 -1.111 266 HB3 ARG 30 3HB ARG 30 -2.710 -6.729 -2.115 267 HG2 ARG 30 2HG ARG 30 -3.671 -6.435 0.746 268 HG3 ARG 30 3HG ARG 30 -4.609 -5.935 -0.661 269 HD2 ARG 30 2HD ARG 30 -4.579 -8.258 -1.500 270 HD3 ARG 30 3HD ARG 30 -3.663 -8.765 -0.078 271 HE ARG 30 HE ARG 30 -6.484 -7.956 -0.186 272 HH11 ARG 30 1HH1 ARG 30 -3.810 -9.070 1.822 273 HH12 ARG 30 2HH1 ARG 30 -4.853 -9.543 3.134 274 HH21 ARG 30 1HH2 ARG 30 -7.812 -8.647 1.476 275 HH22 ARG 30 2HH2 ARG 30 -7.123 -9.310 2.934 276 H THR 31 H THR 31 0.372 -8.619 -1.834 277 HA THR 31 HA THR 31 2.284 -6.554 -2.559 278 HB THR 31 HB THR 31 3.419 -8.449 -3.820 279 HG1 THR 31 HG1 THR 31 1.487 -9.699 -4.175 280 HG21 THR 31 3HG2 THR 31 4.151 -9.699 -1.822 281 HG22 THR 31 1HG2 THR 31 2.778 -9.063 -0.906 282 HG23 THR 31 2HG2 THR 31 4.046 -7.973 -1.470 283 H VAL 32 H VAL 32 1.781 -5.194 -4.138 284 HA VAL 32 HA VAL 32 -0.268 -5.863 -6.115 285 HB VAL 32 HB VAL 32 1.040 -3.169 -5.526 286 HG11 VAL 32 1HG1 VAL 32 -1.466 -3.827 -7.117 287 HG12 VAL 32 2HG1 VAL 32 0.080 -3.303 -7.788 288 HG13 VAL 32 3HG1 VAL 32 -0.854 -2.207 -6.772 289 HG21 VAL 32 3HG2 VAL 32 -0.179 -4.004 -3.554 290 HG22 VAL 32 1HG2 VAL 32 -1.625 -4.248 -4.536 291 HG23 VAL 32 2HG2 VAL 32 -1.008 -2.617 -4.264 292 H LYS 33 H LYS 33 0.351 -6.613 -7.970 293 HA LYS 33 HA LYS 33 3.043 -6.600 -8.963 294 HB2 LYS 33 2HB LYS 33 0.486 -7.415 -10.417 295 HB3 LYS 33 3HB LYS 33 2.125 -7.958 -10.776 296 HG2 LYS 33 2HG LYS 33 2.213 -9.328 -8.821 297 HG3 LYS 33 3HG LYS 33 0.782 -8.559 -8.124 298 HD2 LYS 33 2HD LYS 33 -0.573 -9.512 -10.032 299 HD3 LYS 33 3HD LYS 33 0.861 -10.404 -10.546 300 HE2 LYS 33 2HE LYS 33 0.860 -11.707 -8.514 301 HE3 LYS 33 3HE LYS 33 -0.388 -10.682 -7.793 302 HZ1 LYS 33 3HZ LYS 33 -1.964 -11.461 -9.413 303 HZ2 LYS 33 1HZ LYS 33 -1.260 -12.790 -8.642 304 HZ3 LYS 33 2HZ LYS 33 -0.782 -12.372 -10.208 305 H THR 34 H THR 34 -0.040 -5.216 -10.054 306 HA THR 34 HA THR 34 1.289 -3.035 -11.509 307 HB THR 34 HB THR 34 -0.315 -3.445 -13.471 308 HG1 THR 34 HG1 THR 34 -1.272 -5.483 -13.612 309 HG21 THR 34 3HG2 THR 34 1.037 -5.210 -14.552 310 HG22 THR 34 1HG2 THR 34 1.739 -5.640 -12.992 311 HG23 THR 34 2HG2 THR 34 2.070 -4.059 -13.701 312 H GLU 35 H GLU 35 -0.511 -1.580 -12.470 313 HA GLU 35 HA GLU 35 -2.093 -0.488 -10.422 314 HB2 GLU 35 2HB GLU 35 -2.910 1.081 -12.062 315 HB3 GLU 35 3HB GLU 35 -1.222 0.769 -12.421 316 HG2 GLU 35 2HG GLU 35 -3.618 -0.324 -13.906 317 HG3 GLU 35 3HG GLU 35 -2.518 0.926 -14.474 318 H ASP 36 H ASP 36 -2.890 -2.839 -12.931 319 HA ASP 36 HA ASP 36 -5.684 -2.961 -12.685 320 HB2 ASP 36 2HB ASP 36 -4.470 -4.018 -14.526 321 HB3 ASP 36 3HB ASP 36 -3.650 -5.112 -13.421 322 H GLU 37 H GLU 37 -3.122 -4.729 -10.978 323 HA GLU 37 HA GLU 37 -4.797 -6.254 -9.259 324 HB2 GLU 37 2HB GLU 37 -1.874 -5.433 -9.019 325 HB3 GLU 37 3HB GLU 37 -2.667 -6.538 -7.901 326 HG2 GLU 37 2HG GLU 37 -2.443 -7.010 -10.884 327 HG3 GLU 37 3HG GLU 37 -1.334 -7.663 -9.685 328 H LEU 38 H LEU 38 -3.313 -3.066 -9.002 329 HA LEU 38 HA LEU 38 -3.790 -2.456 -6.314 330 HB2 LEU 38 2HB LEU 38 -2.422 -1.202 -8.142 331 HB3 LEU 38 3HB LEU 38 -3.929 -0.449 -8.609 332 HG LEU 38 HG LEU 38 -2.470 1.004 -7.197 333 HD11 LEU 38 1HD1 LEU 38 -4.136 1.851 -5.652 334 HD12 LEU 38 2HD1 LEU 38 -5.079 0.366 -5.802 335 HD13 LEU 38 3HD1 LEU 38 -4.882 1.434 -7.195 336 HD21 LEU 38 3HD2 LEU 38 -1.437 -0.721 -5.802 337 HD22 LEU 38 1HD2 LEU 38 -2.972 -0.998 -4.975 338 HD23 LEU 38 2HD2 LEU 38 -2.144 0.553 -4.815 339 H LYS 39 H LYS 39 -5.783 -1.901 -9.211 340 HA LYS 39 HA LYS 39 -8.046 -0.729 -7.970 341 HB2 LYS 39 2HB LYS 39 -7.833 -2.277 -10.590 342 HB3 LYS 39 3HB LYS 39 -9.234 -1.327 -10.103 343 HG2 LYS 39 2HG LYS 39 -7.927 0.728 -10.169 344 HG3 LYS 39 3HG LYS 39 -6.457 -0.190 -10.509 345 HD2 LYS 39 2HD LYS 39 -7.319 0.823 -12.570 346 HD3 LYS 39 3HD LYS 39 -7.415 -0.937 -12.668 347 HE2 LYS 39 2HE LYS 39 -9.824 -0.823 -12.098 348 HE3 LYS 39 3HE LYS 39 -9.716 0.937 -12.025 349 HZ1 LYS 39 3HZ LYS 39 -9.156 0.993 -14.343 350 HZ2 LYS 39 1HZ LYS 39 -10.594 0.128 -14.143 351 HZ3 LYS 39 2HZ LYS 39 -9.147 -0.694 -14.439 352 H LYS 40 H LYS 40 -7.225 -4.078 -8.792 353 HA LYS 40 HA LYS 40 -9.726 -5.286 -8.365 354 HB2 LYS 40 2HB LYS 40 -7.803 -6.275 -9.620 355 HB3 LYS 40 3HB LYS 40 -6.932 -6.489 -8.107 356 HG2 LYS 40 2HG LYS 40 -8.605 -8.093 -7.336 357 HG3 LYS 40 3HG LYS 40 -9.566 -7.840 -8.791 358 HD2 LYS 40 2HD LYS 40 -6.729 -8.951 -8.793 359 HD3 LYS 40 3HD LYS 40 -8.179 -9.952 -8.794 360 HE2 LYS 40 2HE LYS 40 -7.422 -9.860 -11.056 361 HE3 LYS 40 3HE LYS 40 -8.832 -8.807 -10.974 362 HZ1 LYS 40 3HZ LYS 40 -7.407 -6.895 -10.943 363 HZ2 LYS 40 1HZ LYS 40 -6.964 -7.866 -12.251 364 HZ3 LYS 40 2HZ LYS 40 -6.018 -7.855 -10.850 365 H TYR 41 H TYR 41 -6.964 -4.744 -6.234 366 HA TYR 41 HA TYR 41 -8.026 -6.053 -3.923 367 HB2 TYR 41 2HB TYR 41 -5.846 -3.925 -4.088 368 HB3 TYR 41 3HB TYR 41 -6.174 -4.947 -2.695 369 HD1 TYR 41 HD1 TYR 41 -6.660 -7.490 -4.701 370 HD2 TYR 41 HD2 TYR 41 -3.479 -4.705 -4.056 371 HE1 TYR 41 HE1 TYR 41 -5.037 -9.139 -5.537 372 HE2 TYR 41 HE2 TYR 41 -1.868 -6.360 -4.895 373 HH TYR 41 HH TYR 41 -2.763 -9.129 -6.578 374 H LEU 42 H LEU 42 -8.056 -2.696 -5.100 375 HA LEU 42 HA LEU 42 -9.347 -1.474 -2.934 376 HB2 LEU 42 2HB LEU 42 -9.417 -0.803 -5.893 377 HB3 LEU 42 3HB LEU 42 -10.178 0.207 -4.675 378 HG LEU 42 HG LEU 42 -7.192 -0.386 -4.838 379 HD11 LEU 42 1HD1 LEU 42 -8.704 2.153 -5.540 380 HD12 LEU 42 2HD1 LEU 42 -7.943 1.041 -6.681 381 HD13 LEU 42 3HD1 LEU 42 -6.948 1.952 -5.548 382 HD21 LEU 42 3HD2 LEU 42 -6.940 1.353 -3.102 383 HD22 LEU 42 1HD2 LEU 42 -7.881 -0.018 -2.521 384 HD23 LEU 42 2HD2 LEU 42 -8.697 1.479 -2.968 385 H GLU 43 H GLU 43 -10.735 -3.276 -5.686 386 HA GLU 43 HA GLU 43 -13.465 -2.780 -5.243 387 HB2 GLU 43 2HB GLU 43 -12.177 -5.303 -6.367 388 HB3 GLU 43 3HB GLU 43 -13.889 -4.906 -6.491 389 HG2 GLU 43 2HG GLU 43 -13.296 -2.880 -7.809 390 HG3 GLU 43 3HG GLU 43 -11.601 -3.353 -7.734 391 H GLU 44 H GLU 44 -11.302 -5.185 -3.798 392 HA GLU 44 HA GLU 44 -13.143 -6.533 -2.136 393 HB2 GLU 44 2HB GLU 44 -10.932 -7.481 -2.397 394 HB3 GLU 44 3HB GLU 44 -10.156 -5.998 -1.861 395 HG2 GLU 44 2HG GLU 44 -11.058 -6.394 0.435 396 HG3 GLU 44 3HG GLU 44 -11.759 -7.906 -0.124 397 H PHE 45 H PHE 45 -11.114 -3.664 -1.572 398 HA PHE 45 HA PHE 45 -11.905 -3.192 1.111 399 HB2 PHE 45 2HB PHE 45 -10.770 -1.165 -0.849 400 HB3 PHE 45 3HB PHE 45 -10.733 -1.056 0.908 401 HD1 PHE 45 HD2 PHE 45 -9.973 -4.126 1.256 402 HD2 PHE 45 HD1 PHE 45 -8.369 -0.924 -1.076 403 HE1 PHE 45 HE2 PHE 45 -7.783 -5.228 1.226 404 HE2 PHE 45 HE1 PHE 45 -6.188 -2.046 -1.093 405 HZ PHE 45 HZ PHE 45 -5.888 -4.195 0.058 406 H ARG 46 H ARG 46 -13.535 -2.486 -1.832 407 HA ARG 46 HA ARG 46 -15.244 -0.395 -0.821 408 HB2 ARG 46 2HB ARG 46 -15.571 -2.249 -3.235 409 HB3 ARG 46 3HB ARG 46 -16.615 -0.870 -2.880 410 HG2 ARG 46 2HG ARG 46 -14.699 0.662 -3.120 411 HG3 ARG 46 3HG ARG 46 -13.639 -0.709 -3.441 412 HD2 ARG 46 2HD ARG 46 -14.177 0.332 -5.536 413 HD3 ARG 46 3HD ARG 46 -15.017 -1.219 -5.480 414 HE ARG 46 HE ARG 46 -16.907 0.458 -4.574 415 HH11 ARG 46 1HH1 ARG 46 -14.856 0.678 -7.441 416 HH12 ARG 46 2HH1 ARG 46 -16.032 1.576 -8.346 417 HH21 ARG 46 1HH2 ARG 46 -18.408 1.639 -5.779 418 HH22 ARG 46 2HH2 ARG 46 -18.039 2.123 -7.404 419 H LYS 47 H LYS 47 -15.550 -3.924 -1.337 420 HA LYS 47 HA LYS 47 -18.189 -4.392 -0.552 421 HB2 LYS 47 2HB LYS 47 -15.888 -6.271 0.126 422 HB3 LYS 47 3HB LYS 47 -17.573 -6.706 -0.134 423 HG2 LYS 47 2HG LYS 47 -17.331 -6.114 -2.532 424 HG3 LYS 47 3HG LYS 47 -15.629 -5.740 -2.248 425 HD2 LYS 47 2HD LYS 47 -16.986 -8.452 -1.984 426 HD3 LYS 47 3HD LYS 47 -15.769 -7.982 -3.168 427 HE2 LYS 47 2HE LYS 47 -14.123 -7.717 -1.281 428 HE3 LYS 47 3HE LYS 47 -15.348 -8.326 -0.175 429 HZ1 LYS 47 3HZ LYS 47 -14.208 -9.812 -2.480 430 HZ2 LYS 47 1HZ LYS 47 -15.378 -10.403 -1.410 431 HZ3 LYS 47 2HZ LYS 47 -13.817 -10.066 -0.853 432 H GLU 48 H GLU 48 -15.253 -4.239 1.368 433 HA GLU 48 HA GLU 48 -16.780 -4.266 3.913 434 HB2 GLU 48 2HB GLU 48 -14.726 -5.295 4.921 435 HB3 GLU 48 3HB GLU 48 -15.470 -6.304 3.685 436 HG2 GLU 48 2HG GLU 48 -13.751 -5.469 2.049 437 HG3 GLU 48 3HG GLU 48 -12.960 -4.619 3.378 438 H SER 49 H SER 49 -16.444 -1.924 2.461 439 HA SER 49 HA SER 49 -14.326 -0.288 3.399 440 HB2 SER 49 2HB SER 49 -15.877 1.593 2.679 441 HB3 SER 49 3HB SER 49 -15.550 0.371 1.453 442 HG SER 49 HG SER 49 -17.598 -0.003 1.371 443 H GLN 50 H GLN 50 -16.709 -1.654 5.300 444 HA GLN 50 HA GLN 50 -17.427 0.345 7.128 445 HB2 GLN 50 2HB GLN 50 -17.863 -1.573 8.718 446 HB3 GLN 50 3HB GLN 50 -18.642 -1.726 7.152 447 HG2 GLN 50 2HG GLN 50 -17.021 -3.381 6.430 448 HG3 GLN 50 3HG GLN 50 -16.062 -3.138 7.895 449 HE21 GLN 50 1HE2 GLN 50 -16.856 -3.967 9.876 450 HE22 GLN 50 2HE2 GLN 50 -18.080 -5.184 9.933 451 H ASN 51 H ASN 51 -15.815 1.673 7.784 452 HA ASN 51 HA ASN 51 -14.008 2.528 8.824 453 HB2 ASN 51 2HB ASN 51 -14.539 0.162 10.670 454 HB3 ASN 51 3HB ASN 51 -13.375 1.427 11.047 455 HD21 ASN 51 1HD2 ASN 51 -15.839 0.644 12.449 456 HD22 ASN 51 2HD2 ASN 51 -16.799 2.075 12.541 457 H ILE 52 H ILE 52 -12.897 1.920 6.804 458 HA ILE 52 HA ILE 52 -10.658 0.042 7.273 459 HB ILE 52 HB ILE 52 -12.364 -0.735 5.532 460 HG12 ILE 52 2HG1 ILE 52 -9.594 -0.263 4.331 461 HG13 ILE 52 3HG1 ILE 52 -9.900 -1.454 5.588 462 HG21 ILE 52 1HG2 ILE 52 -12.354 0.305 3.292 463 HG22 ILE 52 2HG2 ILE 52 -11.278 1.577 3.873 464 HG23 ILE 52 3HG2 ILE 52 -12.916 1.448 4.517 465 HD11 ILE 52 3HD1 ILE 52 -9.818 -2.457 3.376 466 HD12 ILE 52 1HD1 ILE 52 -11.165 -1.448 2.850 467 HD13 ILE 52 2HD1 ILE 52 -11.406 -2.660 4.111 468 H LYS 53 H LYS 53 -8.643 0.718 6.580 469 HA LYS 53 HA LYS 53 -8.340 3.306 5.196 470 HB2 LYS 53 2HB LYS 53 -6.703 2.365 7.599 471 HB3 LYS 53 3HB LYS 53 -6.242 3.705 6.558 472 HG2 LYS 53 2HG LYS 53 -8.360 4.874 7.201 473 HG3 LYS 53 3HG LYS 53 -8.683 3.564 8.339 474 HD2 LYS 53 2HD LYS 53 -6.623 4.106 9.585 475 HD3 LYS 53 3HD LYS 53 -6.232 5.365 8.408 476 HE2 LYS 53 2HE LYS 53 -8.361 6.537 9.040 477 HE3 LYS 53 3HE LYS 53 -8.600 5.331 10.307 478 HZ1 LYS 53 3HZ LYS 53 -7.586 7.359 11.149 479 HZ2 LYS 53 1HZ LYS 53 -6.273 7.166 10.099 480 HZ3 LYS 53 2HZ LYS 53 -6.541 6.046 11.337 481 H VAL 54 H VAL 54 -6.795 3.273 3.636 482 HA VAL 54 HA VAL 54 -5.177 0.815 3.253 483 HB VAL 54 HB VAL 54 -6.350 2.630 1.091 484 HG11 VAL 54 1HG1 VAL 54 -5.596 0.903 -0.514 485 HG12 VAL 54 2HG1 VAL 54 -4.834 0.014 0.805 486 HG13 VAL 54 3HG1 VAL 54 -4.240 1.616 0.364 487 HG21 VAL 54 3HG2 VAL 54 -7.243 -0.161 1.907 488 HG22 VAL 54 1HG2 VAL 54 -7.884 0.767 0.548 489 HG23 VAL 54 2HG2 VAL 54 -8.131 1.336 2.201 490 H LEU 55 H LEU 55 -3.020 1.118 3.091 491 HA LEU 55 HA LEU 55 -1.901 3.806 2.469 492 HB2 LEU 55 2HB LEU 55 -1.401 3.107 4.786 493 HB3 LEU 55 3HB LEU 55 -0.762 1.578 4.210 494 HG LEU 55 HG LEU 55 1.006 2.998 2.935 495 HD11 LEU 55 1HD1 LEU 55 -0.047 5.182 3.123 496 HD12 LEU 55 2HD1 LEU 55 1.552 5.187 3.860 497 HD13 LEU 55 3HD1 LEU 55 0.112 5.134 4.881 498 HD21 LEU 55 3HD2 LEU 55 1.535 1.596 4.867 499 HD22 LEU 55 1HD2 LEU 55 1.121 2.921 5.955 500 HD23 LEU 55 2HD2 LEU 55 2.492 3.073 4.857 501 H ILE 56 H ILE 56 -0.982 3.801 0.469 502 HA ILE 56 HA ILE 56 -0.035 1.251 -0.700 503 HB ILE 56 HB ILE 56 -0.704 3.849 -2.180 504 HG12 ILE 56 2HG1 ILE 56 -2.359 1.292 -1.965 505 HG13 ILE 56 3HG1 ILE 56 -2.735 2.807 -1.164 506 HG21 ILE 56 1HG2 ILE 56 -0.110 1.058 -3.261 507 HG22 ILE 56 2HG2 ILE 56 0.964 2.455 -3.363 508 HG23 ILE 56 3HG2 ILE 56 -0.570 2.457 -4.231 509 HD11 ILE 56 3HD1 ILE 56 -4.120 2.474 -3.105 510 HD12 ILE 56 1HD1 ILE 56 -2.697 2.343 -4.139 511 HD13 ILE 56 2HD1 ILE 56 -3.069 3.872 -3.335 512 H LEU 57 H LEU 57 2.152 0.990 -0.636 513 HA LEU 57 HA LEU 57 3.941 3.361 -0.668 514 HB2 LEU 57 2HB LEU 57 4.605 0.443 -0.014 515 HB3 LEU 57 3HB LEU 57 5.775 1.747 -0.087 516 HG LEU 57 HG LEU 57 5.397 1.397 2.215 517 HD11 LEU 57 1HD1 LEU 57 5.430 3.763 1.656 518 HD12 LEU 57 2HD1 LEU 57 4.381 3.469 3.038 519 HD13 LEU 57 3HD1 LEU 57 3.676 3.770 1.450 520 HD21 LEU 57 3HD2 LEU 57 2.400 1.444 1.742 521 HD22 LEU 57 1HD2 LEU 57 3.213 1.237 3.296 522 HD23 LEU 57 2HD2 LEU 57 3.377 0.007 2.048 523 H VAL 58 H VAL 58 4.466 3.890 -2.664 524 HA VAL 58 HA VAL 58 4.775 1.835 -4.773 525 HB VAL 58 HB VAL 58 4.564 3.692 -6.381 526 HG11 VAL 58 1HG1 VAL 58 2.192 4.263 -6.019 527 HG12 VAL 58 2HG1 VAL 58 2.310 3.740 -4.336 528 HG13 VAL 58 3HG1 VAL 58 2.503 2.569 -5.641 529 HG21 VAL 58 3HG2 VAL 58 4.034 5.982 -5.680 530 HG22 VAL 58 1HG2 VAL 58 5.588 5.488 -5.019 531 HG23 VAL 58 2HG2 VAL 58 4.161 5.523 -3.983 532 H SER 59 H SER 59 6.678 1.919 -6.080 533 HA SER 59 HA SER 59 9.043 3.077 -4.796 534 HB2 SER 59 2HB SER 59 9.112 0.736 -5.632 535 HB3 SER 59 3HB SER 59 8.803 1.310 -7.270 536 HG SER 59 HG SER 59 10.959 2.449 -5.908 537 H ASN 60 H ASN 60 6.973 3.541 -7.582 538 HA ASN 60 HA ASN 60 8.772 5.565 -8.793 539 HB2 ASN 60 2HB ASN 60 6.401 4.087 -10.036 540 HB3 ASN 60 3HB ASN 60 7.501 5.175 -10.880 541 HD21 ASN 60 1HD2 ASN 60 6.856 2.348 -11.406 542 HD22 ASN 60 2HD2 ASN 60 8.366 1.509 -11.363 543 H ASP 61 H ASP 61 8.047 7.682 -9.044 544 HA ASP 61 HA ASP 61 5.704 8.651 -7.745 545 HB2 ASP 61 2HB ASP 61 6.224 10.846 -8.814 546 HB3 ASP 61 3HB ASP 61 7.626 10.133 -8.032 547 H GLU 62 H GLU 62 6.357 7.537 -10.965 548 HA GLU 62 HA GLU 62 4.086 8.259 -12.388 549 HB2 GLU 62 2HB GLU 62 6.006 7.050 -13.356 550 HB3 GLU 62 3HB GLU 62 5.656 5.642 -12.362 551 HG2 GLU 62 2HG GLU 62 4.981 5.310 -14.698 552 HG3 GLU 62 3HG GLU 62 3.608 5.219 -13.598 553 H GLU 63 H GLU 63 4.608 5.441 -10.286 554 HA GLU 63 HA GLU 63 1.898 4.534 -10.353 555 HB2 GLU 63 2HB GLU 63 4.211 3.665 -8.580 556 HB3 GLU 63 3HB GLU 63 2.660 2.838 -8.699 557 HG2 GLU 63 2HG GLU 63 4.729 3.157 -10.887 558 HG3 GLU 63 3HG GLU 63 4.264 1.669 -10.070 559 H LEU 64 H LEU 64 3.706 6.637 -8.184 560 HA LEU 64 HA LEU 64 2.014 6.782 -5.981 561 HB2 LEU 64 2HB LEU 64 4.198 7.961 -6.162 562 HB3 LEU 64 3HB LEU 64 3.519 9.051 -7.355 563 HG LEU 64 HG LEU 64 1.929 9.898 -5.557 564 HD11 LEU 64 1HD1 LEU 64 2.502 9.488 -3.199 565 HD12 LEU 64 2HD1 LEU 64 3.682 8.272 -3.697 566 HD13 LEU 64 3HD1 LEU 64 1.967 8.029 -4.023 567 HD21 LEU 64 3HD2 LEU 64 3.594 11.333 -4.462 568 HD22 LEU 64 1HD2 LEU 64 3.923 11.168 -6.186 569 HD23 LEU 64 2HD2 LEU 64 4.893 10.271 -5.016 570 H ASP 65 H ASP 65 1.959 8.825 -8.912 571 HA ASP 65 HA ASP 65 -0.482 10.147 -8.449 572 HB2 ASP 65 2HB ASP 65 1.202 10.951 -10.074 573 HB3 ASP 65 3HB ASP 65 0.941 9.530 -11.081 574 H LYS 66 H LYS 66 0.328 7.150 -10.148 575 HA LYS 66 HA LYS 66 -2.069 6.642 -11.495 576 HB2 LYS 66 2HB LYS 66 0.245 5.489 -11.700 577 HB3 LYS 66 3HB LYS 66 -0.241 4.507 -10.331 578 HG2 LYS 66 2HG LYS 66 -0.599 3.245 -12.346 579 HG3 LYS 66 3HG LYS 66 -2.177 3.663 -11.678 580 HD2 LYS 66 2HD LYS 66 -2.020 3.898 -14.179 581 HD3 LYS 66 3HD LYS 66 -2.513 5.376 -13.351 582 HE2 LYS 66 2HE LYS 66 -0.854 5.771 -15.184 583 HE3 LYS 66 3HE LYS 66 -0.298 6.336 -13.612 584 HZ1 LYS 66 3HZ LYS 66 1.465 5.225 -14.784 585 HZ2 LYS 66 1HZ LYS 66 0.537 3.825 -14.970 586 HZ3 LYS 66 2HZ LYS 66 1.047 4.302 -13.433 587 H ALA 67 H ALA 67 -0.915 5.437 -8.366 588 HA ALA 67 HA ALA 67 -3.161 3.851 -7.727 589 HB1 ALA 67 3HB ALA 67 -0.914 3.459 -6.818 590 HB2 ALA 67 1HB ALA 67 -2.097 3.637 -5.527 591 HB3 ALA 67 2HB ALA 67 -1.000 4.969 -5.905 592 H LYS 68 H LYS 68 -2.283 7.225 -6.953 593 HA LYS 68 HA LYS 68 -4.407 7.687 -5.098 594 HB2 LYS 68 2HB LYS 68 -2.800 9.672 -6.759 595 HB3 LYS 68 3HB LYS 68 -3.955 10.145 -5.516 596 HG2 LYS 68 2HG LYS 68 -2.598 8.829 -3.854 597 HG3 LYS 68 3HG LYS 68 -1.403 8.560 -5.111 598 HD2 LYS 68 2HD LYS 68 -2.204 11.271 -3.989 599 HD3 LYS 68 3HD LYS 68 -0.761 10.371 -3.541 600 HE2 LYS 68 2HE LYS 68 0.039 11.958 -5.066 601 HE3 LYS 68 3HE LYS 68 -0.140 10.517 -6.064 602 HZ1 LYS 68 3HZ LYS 68 -2.228 11.389 -6.891 603 HZ2 LYS 68 1HZ LYS 68 -0.998 12.514 -7.139 604 HZ3 LYS 68 2HZ LYS 68 -2.105 12.741 -5.889 605 H GLU 69 H GLU 69 -4.180 8.040 -8.634 606 HA GLU 69 HA GLU 69 -6.696 9.262 -9.077 607 HB2 GLU 69 2HB GLU 69 -5.056 7.404 -10.847 608 HB3 GLU 69 3HB GLU 69 -6.531 8.185 -11.397 609 HG2 GLU 69 2HG GLU 69 -4.054 9.639 -10.441 610 HG3 GLU 69 3HG GLU 69 -4.477 9.354 -12.126 611 H LEU 70 H LEU 70 -5.718 5.855 -8.946 612 HA LEU 70 HA LEU 70 -8.208 4.670 -9.584 613 HB2 LEU 70 2HB LEU 70 -5.929 3.491 -7.938 614 HB3 LEU 70 3HB LEU 70 -7.190 2.578 -8.756 615 HG LEU 70 HG LEU 70 -5.040 4.237 -10.123 616 HD11 LEU 70 1HD1 LEU 70 -4.096 2.223 -9.133 617 HD12 LEU 70 2HD1 LEU 70 -4.092 2.113 -10.890 618 HD13 LEU 70 3HD1 LEU 70 -5.299 1.227 -9.957 619 HD21 LEU 70 3HD2 LEU 70 -5.859 3.276 -12.241 620 HD22 LEU 70 1HD2 LEU 70 -7.074 4.282 -11.452 621 HD23 LEU 70 2HD2 LEU 70 -7.199 2.526 -11.374 622 H ALA 71 H ALA 71 -6.659 5.442 -6.489 623 HA ALA 71 HA ALA 71 -8.531 4.529 -4.666 624 HB1 ALA 71 3HB ALA 71 -6.302 5.351 -4.058 625 HB2 ALA 71 1HB ALA 71 -7.543 6.186 -3.123 626 HB3 ALA 71 2HB ALA 71 -6.769 6.997 -4.490 627 H GLN 72 H GLN 72 -8.384 7.683 -6.323 628 HA GLN 72 HA GLN 72 -10.676 8.866 -5.135 629 HB2 GLN 72 2HB GLN 72 -9.267 9.453 -7.769 630 HB3 GLN 72 3HB GLN 72 -10.542 10.466 -7.097 631 HG2 GLN 72 2HG GLN 72 -9.163 11.054 -5.188 632 HG3 GLN 72 3HG GLN 72 -7.932 9.882 -5.666 633 HE21 GLN 72 1HE2 GLN 72 -6.274 11.373 -5.851 634 HE22 GLN 72 2HE2 GLN 72 -6.227 12.596 -7.070 635 H LYS 73 H LYS 73 -10.238 6.957 -8.112 636 HA LYS 73 HA LYS 73 -12.839 7.172 -9.181 637 HB2 LYS 73 2HB LYS 73 -10.826 4.892 -9.410 638 HB3 LYS 73 3HB LYS 73 -12.287 5.004 -10.381 639 HG2 LYS 73 2HG LYS 73 -10.011 7.006 -10.406 640 HG3 LYS 73 3HG LYS 73 -10.257 5.734 -11.597 641 HD2 LYS 73 2HD LYS 73 -12.166 8.044 -11.067 642 HD3 LYS 73 3HD LYS 73 -11.028 7.941 -12.411 643 HE2 LYS 73 2HE LYS 73 -12.204 5.988 -13.303 644 HE3 LYS 73 3HE LYS 73 -13.306 5.991 -11.923 645 HZ1 LYS 73 3HZ LYS 73 -14.086 8.185 -12.627 646 HZ2 LYS 73 1HZ LYS 73 -14.338 7.016 -13.826 647 HZ3 LYS 73 2HZ LYS 73 -13.070 8.122 -13.976 648 H MET 74 H MET 74 -11.488 5.078 -6.709 649 HA MET 74 HA MET 74 -13.933 3.505 -6.376 650 HB2 MET 74 2HB MET 74 -11.302 3.471 -4.824 651 HB3 MET 74 3HB MET 74 -12.624 2.327 -4.622 652 HG2 MET 74 2HG MET 74 -11.021 2.695 -7.146 653 HG3 MET 74 3HG MET 74 -10.787 1.418 -5.957 654 HE1 MET 74 3HE MET 74 -11.025 0.447 -8.806 655 HE2 MET 74 1HE MET 74 -12.291 -0.775 -8.708 656 HE3 MET 74 2HE MET 74 -11.093 -0.647 -7.420 657 H GLU 75 H GLU 75 -12.691 6.448 -5.260 658 HA GLU 75 HA GLU 75 -13.107 7.933 -3.599 659 HB2 GLU 75 2HB GLU 75 -15.726 6.396 -3.399 660 HB3 GLU 75 3HB GLU 75 -15.441 7.984 -2.695 661 HG2 GLU 75 2HG GLU 75 -15.184 8.985 -4.886 662 HG3 GLU 75 3HG GLU 75 -15.240 7.409 -5.667 663 H ILE 76 H ILE 76 -11.835 5.299 -2.820 664 HA ILE 76 HA ILE 76 -12.594 4.899 -0.024 665 HB ILE 76 HB ILE 76 -10.233 3.700 -1.565 666 HG12 ILE 76 2HG1 ILE 76 -12.954 2.423 -1.005 667 HG13 ILE 76 3HG1 ILE 76 -12.454 3.075 -2.558 668 HG21 ILE 76 1HG2 ILE 76 -10.160 1.994 0.235 669 HG22 ILE 76 2HG2 ILE 76 -11.462 2.827 1.086 670 HG23 ILE 76 3HG2 ILE 76 -9.895 3.616 0.880 671 HD11 ILE 76 3HD1 ILE 76 -11.174 0.741 -1.143 672 HD12 ILE 76 1HD1 ILE 76 -10.697 1.393 -2.714 673 HD13 ILE 76 2HD1 ILE 76 -12.285 0.661 -2.508 674 H ASP 77 H ASP 77 -11.446 5.695 1.738 675 HA ASP 77 HA ASP 77 -9.606 7.857 1.397 676 HB2 ASP 77 2HB ASP 77 -9.448 7.877 3.877 677 HB3 ASP 77 3HB ASP 77 -11.113 7.878 3.325 678 H VAL 78 H VAL 78 -7.628 7.561 0.742 679 HA VAL 78 HA VAL 78 -5.985 5.267 1.652 680 HB VAL 78 HB VAL 78 -6.117 6.344 -1.212 681 HG11 VAL 78 1HG1 VAL 78 -3.845 5.642 -0.655 682 HG12 VAL 78 2HG1 VAL 78 -4.568 4.513 -1.796 683 HG13 VAL 78 3HG1 VAL 78 -4.434 4.075 -0.091 684 HG21 VAL 78 3HG2 VAL 78 -7.083 3.661 -0.143 685 HG22 VAL 78 1HG2 VAL 78 -7.016 4.118 -1.847 686 HG23 VAL 78 2HG2 VAL 78 -8.092 4.974 -0.743 687 H ARG 79 H ARG 79 -3.876 5.718 2.055 688 HA ARG 79 HA ARG 79 -2.820 8.456 1.622 689 HB2 ARG 79 2HB ARG 79 -1.858 6.444 3.730 690 HB3 ARG 79 3HB ARG 79 -1.329 8.110 3.537 691 HG2 ARG 79 2HG ARG 79 -2.746 8.218 5.392 692 HG3 ARG 79 3HG ARG 79 -3.794 8.750 4.075 693 HD2 ARG 79 2HD ARG 79 -4.649 6.360 3.929 694 HD3 ARG 79 3HD ARG 79 -3.743 6.023 5.409 695 HE ARG 79 HE ARG 79 -5.159 8.040 6.269 696 HH11 ARG 79 1HH1 ARG 79 -6.227 5.406 4.221 697 HH12 ARG 79 2HH1 ARG 79 -7.875 5.474 4.781 698 HH21 ARG 79 1HH2 ARG 79 -7.316 8.158 6.971 699 HH22 ARG 79 2HH2 ARG 79 -8.485 7.035 6.339 700 H THR 80 H THR 80 -1.251 8.461 0.088 701 HA THR 80 HA THR 80 0.027 5.884 -0.651 702 HB THR 80 HB THR 80 -0.682 8.145 -2.584 703 HG1 THR 80 HG1 THR 80 -2.644 7.378 -2.050 704 HG21 THR 80 3HG2 THR 80 -0.376 6.444 -4.331 705 HG22 THR 80 1HG2 THR 80 0.023 5.228 -3.117 706 HG23 THR 80 2HG2 THR 80 1.103 6.596 -3.384 707 H ARG 81 H ARG 81 2.165 5.915 -0.436 708 HA ARG 81 HA ARG 81 3.668 8.469 -0.290 709 HB2 ARG 81 2HB ARG 81 4.188 5.973 1.396 710 HB3 ARG 81 3HB ARG 81 5.004 7.522 1.537 711 HG2 ARG 81 2HG ARG 81 2.089 7.006 2.184 712 HG3 ARG 81 3HG ARG 81 3.393 7.120 3.363 713 HD2 ARG 81 2HD ARG 81 3.762 9.470 2.773 714 HD3 ARG 81 3HD ARG 81 2.530 9.370 1.507 715 HE ARG 81 HE ARG 81 1.844 8.878 4.342 716 HH11 ARG 81 1HH1 ARG 81 1.333 10.740 1.394 717 HH12 ARG 81 2HH1 ARG 81 -0.059 11.565 2.024 718 HH21 ARG 81 1HH2 ARG 81 0.033 9.957 5.149 719 HH22 ARG 81 2HH2 ARG 81 -0.801 11.117 4.161 720 H LYS 82 H LYS 82 5.474 8.497 -1.579 721 HA LYS 82 HA LYS 82 6.263 6.073 -3.019 722 HB2 LYS 82 2HB LYS 82 6.008 8.164 -4.337 723 HB3 LYS 82 3HB LYS 82 7.251 8.944 -3.357 724 HG2 LYS 82 2HG LYS 82 8.877 7.150 -4.137 725 HG3 LYS 82 3HG LYS 82 7.618 6.578 -5.237 726 HD2 LYS 82 2HD LYS 82 9.175 8.014 -6.443 727 HD3 LYS 82 3HD LYS 82 7.601 8.804 -6.340 728 HE2 LYS 82 2HE LYS 82 8.440 10.191 -4.455 729 HE3 LYS 82 3HE LYS 82 10.022 9.420 -4.608 730 HZ1 LYS 82 3HZ LYS 82 8.690 10.943 -6.779 731 HZ2 LYS 82 1HZ LYS 82 10.265 10.323 -6.794 732 HZ3 LYS 82 2HZ LYS 82 9.859 11.584 -5.744 733 H VAL 83 H VAL 83 7.864 4.875 -2.300 734 HA VAL 83 HA VAL 83 9.961 5.996 -0.549 735 HB VAL 83 HB VAL 83 10.201 3.715 0.409 736 HG11 VAL 83 1HG1 VAL 83 8.088 3.687 1.717 737 HG12 VAL 83 2HG1 VAL 83 7.351 4.792 0.557 738 HG13 VAL 83 3HG1 VAL 83 8.720 5.323 1.536 739 HG21 VAL 83 3HG2 VAL 83 7.807 2.962 -1.329 740 HG22 VAL 83 1HG2 VAL 83 8.496 1.950 -0.056 741 HG23 VAL 83 2HG2 VAL 83 9.449 2.338 -1.486 742 H THR 84 H THR 84 11.989 5.853 -1.231 743 HA THR 84 HA THR 84 12.669 4.368 -3.701 744 HB THR 84 HB THR 84 14.747 5.809 -3.685 745 HG1 THR 84 HG1 THR 84 14.190 6.270 -1.215 746 HG21 THR 84 3HG2 THR 84 13.643 7.907 -4.376 747 HG22 THR 84 1HG2 THR 84 12.134 7.385 -3.616 748 HG23 THR 84 2HG2 THR 84 12.768 6.518 -5.015 749 H SER 85 H SER 85 13.007 4.359 -0.292 750 HA SER 85 HA SER 85 15.092 2.264 -0.353 751 HB2 SER 85 2HB SER 85 14.518 4.192 1.946 752 HB3 SER 85 3HB SER 85 15.852 3.041 1.826 753 HG SER 85 HG SER 85 15.540 5.546 0.693 754 HA PRO 86 HA PRO 86 11.879 -0.405 1.444 755 HB2 PRO 86 2HB PRO 86 13.665 -2.073 2.867 756 HB3 PRO 86 3HB PRO 86 13.148 -2.287 1.193 757 HG2 PRO 86 2HG PRO 86 15.658 -1.077 2.228 758 HG3 PRO 86 3HG PRO 86 15.403 -2.096 0.796 759 HD2 PRO 86 2HD PRO 86 15.750 0.557 0.583 760 HD3 PRO 86 3HD PRO 86 14.641 -0.318 -0.496 761 H ASP 87 H ASP 87 14.460 0.962 3.496 762 HA ASP 87 HA ASP 87 13.345 0.546 6.030 763 HB2 ASP 87 2HB ASP 87 15.696 1.386 5.454 764 HB3 ASP 87 3HB ASP 87 15.001 2.988 5.253 765 H GLU 88 H GLU 88 12.757 3.106 3.680 766 HA GLU 88 HA GLU 88 11.146 4.816 5.294 767 HB2 GLU 88 2HB GLU 88 11.167 4.516 2.256 768 HB3 GLU 88 3HB GLU 88 10.484 5.869 3.152 769 HG2 GLU 88 2HG GLU 88 12.742 6.455 3.976 770 HG3 GLU 88 3HG GLU 88 13.420 5.114 3.054 771 H ALA 89 H ALA 89 10.442 2.105 3.105 772 HA ALA 89 HA ALA 89 7.609 2.289 3.073 773 HB1 ALA 89 3HB ALA 89 8.880 0.970 1.416 774 HB2 ALA 89 1HB ALA 89 7.648 -0.015 2.203 775 HB3 ALA 89 2HB ALA 89 9.345 -0.179 2.670 776 H LYS 90 H LYS 90 9.907 0.597 5.160 777 HA LYS 90 HA LYS 90 8.142 -0.828 6.812 778 HB2 LYS 90 2HB LYS 90 10.929 0.307 7.305 779 HB3 LYS 90 3HB LYS 90 10.115 -0.792 8.413 780 HG2 LYS 90 2HG LYS 90 10.165 -2.590 6.798 781 HG3 LYS 90 3HG LYS 90 10.731 -1.501 5.528 782 HD2 LYS 90 2HD LYS 90 12.565 -2.931 6.440 783 HD3 LYS 90 3HD LYS 90 12.878 -1.209 6.655 784 HE2 LYS 90 2HE LYS 90 12.160 -1.375 9.015 785 HE3 LYS 90 3HE LYS 90 11.836 -3.095 8.798 786 HZ1 LYS 90 3HZ LYS 90 14.496 -1.800 8.502 787 HZ2 LYS 90 1HZ LYS 90 14.170 -3.451 8.340 788 HZ3 LYS 90 2HZ LYS 90 13.985 -2.695 9.840 789 H ARG 91 H ARG 91 9.552 2.448 7.085 790 HA ARG 91 HA ARG 91 8.653 3.142 9.621 791 HB2 ARG 91 2HB ARG 91 10.248 4.571 8.426 792 HB3 ARG 91 3HB ARG 91 9.033 4.970 7.214 793 HG2 ARG 91 2HG ARG 91 7.645 5.950 9.161 794 HG3 ARG 91 3HG ARG 91 9.110 5.817 10.127 795 HD2 ARG 91 2HD ARG 91 10.261 7.403 8.740 796 HD3 ARG 91 3HD ARG 91 8.980 7.358 7.521 797 HE ARG 91 HE ARG 91 8.307 8.275 10.231 798 HH11 ARG 91 1HH1 ARG 91 8.860 9.137 6.865 799 HH12 ARG 91 2HH1 ARG 91 8.123 10.700 7.019 800 HH21 ARG 91 1HH2 ARG 91 7.317 10.313 10.413 801 HH22 ARG 91 2HH2 ARG 91 7.245 11.371 9.039 802 H TRP 92 H TRP 92 7.045 3.847 6.460 803 HA TRP 92 HA TRP 92 4.837 5.136 7.548 804 HB2 TRP 92 2HB TRP 92 5.118 3.708 4.883 805 HB3 TRP 92 3HB TRP 92 3.751 4.736 5.309 806 HD1 TRP 92 HD1 TRP 92 7.051 4.942 3.675 807 HE1 TRP 92 HE1 TRP 92 7.801 7.379 3.413 808 HE3 TRP 92 HE3 TRP 92 3.639 7.192 6.755 809 HZ2 TRP 92 HZ2 TRP 92 7.056 9.917 4.352 810 HZ3 TRP 92 HZ3 TRP 92 3.721 9.638 7.010 811 HH2 TRP 92 HH2 TRP 92 5.397 10.975 5.832 812 H ILE 93 H ILE 93 5.394 1.702 7.256 813 HA ILE 93 HA ILE 93 2.669 0.860 7.633 814 HB ILE 93 HB ILE 93 5.332 -0.577 8.040 815 HG12 ILE 93 2HG1 ILE 93 3.242 -0.816 5.820 816 HG13 ILE 93 3HG1 ILE 93 4.753 0.077 5.695 817 HG21 ILE 93 1HG2 ILE 93 2.558 -1.830 8.133 818 HG22 ILE 93 2HG2 ILE 93 3.650 -1.641 9.505 819 HG23 ILE 93 3HG2 ILE 93 4.088 -2.707 8.172 820 HD11 ILE 93 3HD1 ILE 93 4.920 -2.043 4.589 821 HD12 ILE 93 1HD1 ILE 93 4.477 -2.893 6.070 822 HD13 ILE 93 2HD1 ILE 93 5.999 -1.999 5.984 823 H LYS 94 H LYS 94 5.504 1.282 9.792 824 HA LYS 94 HA LYS 94 4.273 0.810 12.268 825 HB2 LYS 94 2HB LYS 94 6.701 0.993 12.024 826 HB3 LYS 94 3HB LYS 94 6.565 2.675 11.525 827 HG2 LYS 94 2HG LYS 94 5.687 3.242 13.791 828 HG3 LYS 94 3HG LYS 94 5.933 1.561 14.276 829 HD2 LYS 94 2HD LYS 94 8.345 1.769 13.917 830 HD3 LYS 94 3HD LYS 94 8.136 3.409 13.291 831 HE2 LYS 94 2HE LYS 94 8.935 3.479 15.593 832 HE3 LYS 94 3HE LYS 94 7.303 4.142 15.508 833 HZ1 LYS 94 3HZ LYS 94 6.457 2.020 16.320 834 HZ2 LYS 94 1HZ LYS 94 7.565 2.686 17.406 835 HZ3 LYS 94 2HZ LYS 94 8.025 1.403 16.411 836 H GLU 95 H GLU 95 4.361 3.781 10.282 837 HA GLU 95 HA GLU 95 3.095 5.528 12.113 838 HB2 GLU 95 2HB GLU 95 2.849 5.650 9.072 839 HB3 GLU 95 3HB GLU 95 2.601 6.977 10.196 840 HG2 GLU 95 2HG GLU 95 5.216 5.637 9.496 841 HG3 GLU 95 3HG GLU 95 4.705 7.260 9.064 842 H PHE 96 H PHE 96 1.846 3.546 9.470 843 HA PHE 96 HA PHE 96 -0.816 4.412 9.428 844 HB2 PHE 96 2HB PHE 96 0.300 3.383 7.526 845 HB3 PHE 96 3HB PHE 96 0.527 1.881 8.408 846 HD1 PHE 96 HD1 PHE 96 -2.282 4.140 7.311 847 HD2 PHE 96 HD2 PHE 96 -0.914 0.141 7.867 848 HE1 PHE 96 HE1 PHE 96 -4.361 3.287 6.322 849 HE2 PHE 96 HE2 PHE 96 -2.995 -0.708 6.892 850 HZ PHE 96 HZ PHE 96 -4.715 0.861 6.119 851 H SER 97 H SER 97 0.682 1.658 11.089 852 HA SER 97 HA SER 97 -1.640 0.373 12.017 853 HB2 SER 97 2HB SER 97 -0.096 -0.544 13.828 854 HB3 SER 97 3HB SER 97 0.482 -0.761 12.176 855 HG SER 97 HG SER 97 2.004 0.742 12.475 856 H GLU 98 H GLU 98 0.302 2.985 13.440 857 HA GLU 98 HA GLU 98 -1.328 3.223 15.830 858 HB2 GLU 98 2HB GLU 98 1.009 4.877 14.797 859 HB3 GLU 98 3HB GLU 98 0.257 5.092 16.380 860 HG2 GLU 98 2HG GLU 98 0.904 2.798 17.015 861 HG3 GLU 98 3HG GLU 98 1.610 2.546 15.422 862 H GLU 99 H GLU 99 -1.255 4.722 12.685 863 HA GLU 99 HA GLU 99 -2.894 7.002 13.370 864 HB2 GLU 99 2HB GLU 99 -2.209 5.743 10.678 865 HB3 GLU 99 3HB GLU 99 -3.165 7.212 10.852 866 HG2 GLU 99 2HG GLU 99 -1.234 8.328 11.954 867 HG3 GLU 99 3HG GLU 99 -0.281 6.865 11.728 868 H GLY 100 H GLY 100 -3.420 3.715 12.255 869 HA2 GLY 100 2HA GLY 100 -6.290 3.977 11.917 870 HA3 GLY 100 3HA GLY 100 -5.343 2.497 11.855 871 H GLY 101 H GLY 101 -4.098 3.160 14.498 872 HA2 GLY 101 2HA GLY 101 -6.063 3.441 16.520 873 HA3 GLY 101 3HA GLY 101 -5.736 1.726 16.252 874 H SER 102 H SER 102 -4.874 4.254 18.175 875 HA SER 102 HA SER 102 -2.056 4.296 18.182 876 HB2 SER 102 2HB SER 102 -2.272 5.364 20.429 877 HB3 SER 102 3HB SER 102 -3.359 6.075 19.242 878 HG SER 102 HG SER 102 -4.167 5.444 21.475 879 H LEU 103 H LEU 103 -4.360 2.198 19.801 880 HA LEU 103 HA LEU 103 -4.247 0.306 21.017 881 HB2 LEU 103 2HB LEU 103 -1.648 -0.012 19.474 882 HB3 LEU 103 3HB LEU 103 -2.418 -1.300 20.385 883 HG LEU 103 HG LEU 103 -3.610 0.076 17.944 884 HD11 LEU 103 1HD1 LEU 103 -1.710 -1.359 17.366 885 HD12 LEU 103 2HD1 LEU 103 -3.222 -2.048 16.786 886 HD13 LEU 103 3HD1 LEU 103 -2.448 -2.714 18.226 887 HD21 LEU 103 3HD2 LEU 103 -5.376 -0.643 19.492 888 HD22 LEU 103 1HD2 LEU 103 -4.692 -2.270 19.547 889 HD23 LEU 103 2HD2 LEU 103 -5.375 -1.644 18.043 890 H GLU 104 H GLU 104 -3.359 2.614 22.268 891 HA GLU 104 HA GLU 104 -0.870 2.542 23.543 892 HB2 GLU 104 2HB GLU 104 -1.873 4.331 25.013 893 HB3 GLU 104 3HB GLU 104 -2.005 4.627 23.286 894 HG2 GLU 104 2HG GLU 104 -4.369 3.829 23.358 895 HG3 GLU 104 3HG GLU 104 -4.223 3.626 25.100 896 H HIS 105 H HIS 105 -4.039 1.425 24.670 897 HA HIS 105 HA HIS 105 -2.913 0.500 27.227 898 HB2 HIS 105 2HB HIS 105 -5.035 1.791 27.252 899 HB3 HIS 105 3HB HIS 105 -5.801 0.570 26.247 900 HD1 HIS 105 HD1 HIS 105 -7.293 -0.846 27.625 901 HD2 HIS 105 HD2 HIS 105 -3.925 0.323 29.767 902 HE1 HIS 105 HE1 HIS 105 -7.522 -1.921 29.879 903 HE2 HIS 105 HE2 HIS 105 -5.528 -1.123 31.190 904 H HIS 106 H HIS 106 -3.667 -0.670 24.098 905 HA HIS 106 HA HIS 106 -4.029 -3.451 24.740 906 HB2 HIS 106 2HB HIS 106 -4.736 -2.465 22.551 907 HB3 HIS 106 3HB HIS 106 -3.053 -2.160 22.143 908 HD1 HIS 106 HD1 HIS 106 -1.604 -4.227 21.461 909 HD2 HIS 106 HD2 HIS 106 -5.597 -5.108 22.219 910 HE1 HIS 106 HE1 HIS 106 -1.949 -6.568 20.632 911 HE2 HIS 106 HE2 HIS 106 -4.280 -7.150 21.332 912 H HIS 107 H HIS 107 -2.437 -5.140 24.480 913 HA HIS 107 HA HIS 107 0.157 -4.539 25.508 914 HB2 HIS 107 2HB HIS 107 -0.958 -7.154 24.402 915 HB3 HIS 107 3HB HIS 107 0.608 -7.003 25.191 916 HD1 HIS 107 HD1 HIS 107 -2.480 -8.297 25.974 917 HD2 HIS 107 HD2 HIS 107 -0.051 -5.556 27.940 918 HE1 HIS 107 HE1 HIS 107 -3.203 -8.359 28.376 919 HE2 HIS 107 HE2 HIS 107 -1.671 -6.752 29.557 920 H HIS 108 H HIS 108 1.033 -3.090 23.955 921 HA HIS 108 HA HIS 108 2.000 -4.132 21.420 922 HB2 HIS 108 2HB HIS 108 3.518 -2.015 21.532 923 HB3 HIS 108 3HB HIS 108 1.787 -1.773 21.360 924 HD1 HIS 108 HD1 HIS 108 0.502 -1.022 23.602 925 HD2 HIS 108 HD2 HIS 108 4.652 -0.719 23.699 926 HE1 HIS 108 HE1 HIS 108 1.024 0.531 25.500 927 HE2 HIS 108 HE2 HIS 108 3.528 0.640 25.590 928 H HIS 109 H HIS 109 3.439 -5.702 21.416 929 HA HIS 109 HA HIS 109 4.858 -6.464 23.780 930 HB2 HIS 109 2HB HIS 109 3.954 -8.154 22.228 931 HB3 HIS 109 3HB HIS 109 5.035 -7.594 20.956 932 HD1 HIS 109 HD1 HIS 109 7.302 -8.664 20.861 933 HD2 HIS 109 HD2 HIS 109 5.386 -9.400 24.472 934 HE1 HIS 109 HE1 HIS 109 8.747 -10.327 22.061 935 HE2 HIS 109 HE2 HIS 109 7.422 -10.949 24.104 936 H HIS 110 H HIS 110 6.771 -5.813 24.421 937 HA HIS 110 HA HIS 110 8.399 -4.023 22.920 938 HB2 HIS 110 2HB HIS 110 9.958 -4.087 24.857 939 HB3 HIS 110 3HB HIS 110 8.297 -3.805 25.349 940 HD1 HIS 110 HD1 HIS 110 7.146 -5.657 26.773 941 HD2 HIS 110 HD2 HIS 110 11.127 -6.445 25.860 942 HE1 HIS 110 HE1 HIS 110 7.824 -7.552 28.274 943 HE2 HIS 110 HE2 HIS 110 10.164 -8.133 27.566 Start of MODEL 16 1 H1 MET 1 1H MET 1 -12.100 -1.280 12.669 2 H2 MET 1 2H MET 1 -12.111 0.284 13.312 3 H3 MET 1 3H MET 1 -10.698 -0.640 13.362 4 HA MET 1 HA MET 1 -12.043 0.289 10.912 5 HB2 MET 1 2HB MET 1 -11.117 2.193 12.095 6 HB3 MET 1 3HB MET 1 -9.597 1.361 12.371 7 HG2 MET 1 2HG MET 1 -8.940 1.596 10.106 8 HG3 MET 1 3HG MET 1 -10.568 2.025 9.590 9 HE1 MET 1 3HE MET 1 -11.682 4.382 9.939 10 HE2 MET 1 1HE MET 1 -10.981 5.655 10.937 11 HE3 MET 1 2HE MET 1 -11.550 4.164 11.686 12 H LEU 2 H LEU 2 -11.372 -0.682 9.083 13 HA LEU 2 HA LEU 2 -9.603 -2.974 9.224 14 HB2 LEU 2 2HB LEU 2 -11.057 -1.745 6.841 15 HB3 LEU 2 3HB LEU 2 -10.259 -3.306 6.857 16 HG LEU 2 HG LEU 2 -12.758 -2.574 8.425 17 HD11 LEU 2 1HD1 LEU 2 -13.169 -2.763 6.025 18 HD12 LEU 2 2HD1 LEU 2 -13.919 -4.100 6.892 19 HD13 LEU 2 3HD1 LEU 2 -12.419 -4.363 5.997 20 HD21 LEU 2 3HD2 LEU 2 -12.886 -4.962 9.029 21 HD22 LEU 2 1HD2 LEU 2 -11.435 -4.200 9.680 22 HD23 LEU 2 2HD2 LEU 2 -11.321 -5.247 8.263 23 H LEU 3 H LEU 3 -7.406 -2.704 9.006 24 HA LEU 3 HA LEU 3 -6.373 -0.386 7.472 25 HB2 LEU 3 2HB LEU 3 -5.131 -1.888 9.814 26 HB3 LEU 3 3HB LEU 3 -4.345 -0.590 8.934 27 HG LEU 3 HG LEU 3 -6.872 -0.302 10.611 28 HD11 LEU 3 1HD1 LEU 3 -4.901 -0.710 12.001 29 HD12 LEU 3 2HD1 LEU 3 -5.471 0.944 12.193 30 HD13 LEU 3 3HD1 LEU 3 -4.038 0.614 11.212 31 HD21 LEU 3 3HD2 LEU 3 -6.877 1.295 8.758 32 HD22 LEU 3 1HD2 LEU 3 -5.252 1.840 9.183 33 HD23 LEU 3 2HD2 LEU 3 -6.603 2.128 10.285 34 H TYR 4 H TYR 4 -5.581 -0.980 5.544 35 HA TYR 4 HA TYR 4 -4.237 -3.608 5.205 36 HB2 TYR 4 2HB TYR 4 -6.012 -2.114 3.218 37 HB3 TYR 4 3HB TYR 4 -5.072 -3.554 2.825 38 HD1 TYR 4 HD1 TYR 4 -5.603 -5.732 4.003 39 HD2 TYR 4 HD2 TYR 4 -8.162 -2.329 4.310 40 HE1 TYR 4 HE1 TYR 4 -7.411 -7.163 4.840 41 HE2 TYR 4 HE2 TYR 4 -9.970 -3.775 5.133 42 HH TYR 4 HH TYR 4 -10.631 -6.114 5.114 43 H VAL 5 H VAL 5 -2.412 -3.663 3.973 44 HA VAL 5 HA VAL 5 -1.240 -1.101 3.052 45 HB VAL 5 HB VAL 5 0.209 -3.590 4.116 46 HG11 VAL 5 1HG1 VAL 5 2.293 -2.283 3.892 47 HG12 VAL 5 2HG1 VAL 5 1.392 -0.968 3.135 48 HG13 VAL 5 3HG1 VAL 5 1.516 -2.530 2.325 49 HG21 VAL 5 3HG2 VAL 5 0.918 -2.143 5.995 50 HG22 VAL 5 1HG2 VAL 5 -0.842 -2.279 5.919 51 HG23 VAL 5 2HG2 VAL 5 -0.044 -0.813 5.343 52 H LEU 6 H LEU 6 -1.073 -0.998 0.892 53 HA LEU 6 HA LEU 6 -0.609 -3.427 -0.739 54 HB2 LEU 6 2HB LEU 6 -1.445 -0.627 -1.644 55 HB3 LEU 6 3HB LEU 6 -1.270 -2.034 -2.679 56 HG LEU 6 HG LEU 6 -3.404 -1.560 -0.574 57 HD11 LEU 6 1HD1 LEU 6 -4.994 -1.663 -2.428 58 HD12 LEU 6 2HD1 LEU 6 -3.675 -1.905 -3.576 59 HD13 LEU 6 3HD1 LEU 6 -3.805 -0.386 -2.689 60 HD21 LEU 6 3HD2 LEU 6 -2.783 -3.891 -0.445 61 HD22 LEU 6 1HD2 LEU 6 -2.951 -4.069 -2.195 62 HD23 LEU 6 2HD2 LEU 6 -4.367 -3.730 -1.197 63 H ILE 7 H ILE 7 1.291 -3.449 -2.064 64 HA ILE 7 HA ILE 7 3.066 -1.097 -1.912 65 HB ILE 7 HB ILE 7 3.846 -2.620 -0.130 66 HG12 ILE 7 2HG1 ILE 7 5.788 -2.553 -2.486 67 HG13 ILE 7 3HG1 ILE 7 5.464 -1.194 -1.415 68 HG21 ILE 7 1HG2 ILE 7 4.807 -4.834 -0.589 69 HG22 ILE 7 2HG2 ILE 7 4.324 -4.703 -2.280 70 HG23 ILE 7 3HG2 ILE 7 3.094 -4.786 -1.020 71 HD11 ILE 7 3HD1 ILE 7 6.700 -3.819 -0.611 72 HD12 ILE 7 1HD1 ILE 7 6.376 -2.452 0.459 73 HD13 ILE 7 2HD1 ILE 7 7.536 -2.289 -0.856 74 H ILE 8 H ILE 8 3.716 -0.532 -3.851 75 HA ILE 8 HA ILE 8 3.891 -2.503 -6.043 76 HB ILE 8 HB ILE 8 3.822 0.533 -6.399 77 HG12 ILE 8 2HG1 ILE 8 1.366 -1.278 -6.351 78 HG13 ILE 8 3HG1 ILE 8 1.764 -0.093 -5.125 79 HG21 ILE 8 1HG2 ILE 8 4.579 -0.817 -8.304 80 HG22 ILE 8 2HG2 ILE 8 3.030 -0.061 -8.661 81 HG23 ILE 8 3HG2 ILE 8 3.093 -1.773 -8.245 82 HD11 ILE 8 3HD1 ILE 8 0.029 0.686 -6.626 83 HD12 ILE 8 1HD1 ILE 8 1.120 0.523 -8.001 84 HD13 ILE 8 2HD1 ILE 8 1.468 1.694 -6.727 85 H SER 9 H SER 9 6.010 -3.189 -5.969 86 HA SER 9 HA SER 9 8.103 -1.252 -6.586 87 HB2 SER 9 2HB SER 9 8.216 -1.376 -4.110 88 HB3 SER 9 3HB SER 9 8.339 -3.130 -4.185 89 HG SER 9 HG SER 9 10.370 -1.952 -3.938 90 H ASN 10 H ASN 10 9.868 -2.179 -7.671 91 HA ASN 10 HA ASN 10 9.454 -4.851 -8.804 92 HB2 ASN 10 2HB ASN 10 11.465 -2.650 -9.430 93 HB3 ASN 10 3HB ASN 10 11.550 -4.245 -10.164 94 HD21 ASN 10 1HD2 ASN 10 8.553 -2.403 -9.544 95 HD22 ASN 10 2HD2 ASN 10 8.155 -2.201 -11.209 96 H ASP 11 H ASP 11 11.461 -3.197 -6.470 97 HA ASP 11 HA ASP 11 13.454 -5.286 -6.216 98 HB2 ASP 11 2HB ASP 11 13.921 -2.823 -5.728 99 HB3 ASP 11 3HB ASP 11 12.936 -2.978 -4.280 100 H LYS 12 H LYS 12 12.630 -7.126 -5.609 101 HA LYS 12 HA LYS 12 10.357 -7.521 -3.986 102 HB2 LYS 12 2HB LYS 12 12.496 -9.522 -4.836 103 HB3 LYS 12 3HB LYS 12 10.943 -9.951 -4.118 104 HG2 LYS 12 2HG LYS 12 11.365 -8.547 -6.773 105 HG3 LYS 12 3HG LYS 12 10.847 -10.219 -6.541 106 HD2 LYS 12 2HD LYS 12 8.744 -9.472 -5.529 107 HD3 LYS 12 3HD LYS 12 9.274 -7.789 -5.588 108 HE2 LYS 12 2HE LYS 12 7.697 -8.227 -7.386 109 HE3 LYS 12 3HE LYS 12 9.290 -7.901 -8.068 110 HZ1 LYS 12 3HZ LYS 12 8.230 -9.760 -9.161 111 HZ2 LYS 12 1HZ LYS 12 8.073 -10.584 -7.692 112 HZ3 LYS 12 2HZ LYS 12 9.605 -10.286 -8.333 113 H LYS 13 H LYS 13 13.732 -7.265 -3.140 114 HA LYS 13 HA LYS 13 13.591 -8.456 -0.530 115 HB2 LYS 13 2HB LYS 13 15.581 -6.530 -1.801 116 HB3 LYS 13 3HB LYS 13 15.811 -7.256 -0.211 117 HG2 LYS 13 2HG LYS 13 15.981 -9.470 -1.146 118 HG3 LYS 13 3HG LYS 13 15.435 -8.908 -2.725 119 HD2 LYS 13 2HD LYS 13 17.805 -9.289 -2.868 120 HD3 LYS 13 3HD LYS 13 17.544 -7.550 -2.918 121 HE2 LYS 13 2HE LYS 13 18.299 -9.013 -0.375 122 HE3 LYS 13 3HE LYS 13 19.499 -8.386 -1.504 123 HZ1 LYS 13 3HZ LYS 13 18.490 -6.164 -1.188 124 HZ2 LYS 13 1HZ LYS 13 19.167 -6.805 0.220 125 HZ3 LYS 13 2HZ LYS 13 17.493 -6.810 0.019 126 H LEU 14 H LEU 14 13.244 -5.162 -1.798 127 HA LEU 14 HA LEU 14 12.779 -3.719 0.571 128 HB2 LEU 14 2HB LEU 14 13.177 -2.755 -1.699 129 HB3 LEU 14 3HB LEU 14 11.593 -3.285 -2.210 130 HG LEU 14 HG LEU 14 11.872 -1.289 0.065 131 HD11 LEU 14 1HD1 LEU 14 11.850 -0.567 -2.880 132 HD12 LEU 14 2HD1 LEU 14 13.208 -0.377 -1.768 133 HD13 LEU 14 3HD1 LEU 14 11.743 0.570 -1.529 134 HD21 LEU 14 3HD2 LEU 14 9.657 -1.690 -1.979 135 HD22 LEU 14 1HD2 LEU 14 9.669 -0.476 -0.696 136 HD23 LEU 14 2HD2 LEU 14 9.610 -2.188 -0.288 137 H ILE 15 H ILE 15 10.568 -5.442 -1.615 138 HA ILE 15 HA ILE 15 8.132 -4.957 -0.270 139 HB ILE 15 HB ILE 15 8.926 -7.276 -2.089 140 HG12 ILE 15 2HG1 ILE 15 7.484 -4.645 -2.654 141 HG13 ILE 15 3HG1 ILE 15 9.075 -5.119 -3.235 142 HG21 ILE 15 1HG2 ILE 15 6.127 -6.476 -1.224 143 HG22 ILE 15 2HG2 ILE 15 6.979 -7.943 -0.741 144 HG23 ILE 15 3HG2 ILE 15 6.519 -7.705 -2.427 145 HD11 ILE 15 3HD1 ILE 15 7.478 -5.270 -5.009 146 HD12 ILE 15 1HD1 ILE 15 6.429 -6.312 -4.048 147 HD13 ILE 15 2HD1 ILE 15 8.006 -6.894 -4.582 148 H GLU 16 H GLU 16 10.553 -7.506 0.111 149 HA GLU 16 HA GLU 16 9.129 -9.125 1.952 150 HB2 GLU 16 2HB GLU 16 12.126 -8.892 1.478 151 HB3 GLU 16 3HB GLU 16 11.398 -10.070 2.568 152 HG2 GLU 16 2HG GLU 16 10.158 -11.072 0.704 153 HG3 GLU 16 3HG GLU 16 10.849 -9.889 -0.404 154 H GLU 17 H GLU 17 11.426 -6.424 2.497 155 HA GLU 17 HA GLU 17 11.476 -6.581 5.340 156 HB2 GLU 17 2HB GLU 17 12.034 -4.239 3.469 157 HB3 GLU 17 3HB GLU 17 12.221 -4.136 5.218 158 HG2 GLU 17 2HG GLU 17 13.841 -6.051 5.092 159 HG3 GLU 17 3HG GLU 17 13.742 -5.949 3.338 160 H ALA 18 H ALA 18 9.427 -4.802 3.095 161 HA ALA 18 HA ALA 18 7.814 -3.427 4.973 162 HB1 ALA 18 3HB ALA 18 7.181 -4.307 2.131 163 HB2 ALA 18 1HB ALA 18 7.937 -2.787 2.607 164 HB3 ALA 18 2HB ALA 18 6.266 -3.121 3.066 165 H ARG 19 H ARG 19 7.516 -6.585 3.393 166 HA ARG 19 HA ARG 19 4.997 -7.414 4.271 167 HB2 ARG 19 2HB ARG 19 6.225 -8.599 2.512 168 HB3 ARG 19 3HB ARG 19 7.498 -9.048 3.641 169 HG2 ARG 19 2HG ARG 19 5.787 -10.418 4.899 170 HG3 ARG 19 3HG ARG 19 4.639 -10.065 3.607 171 HD2 ARG 19 2HD ARG 19 6.140 -11.174 1.981 172 HD3 ARG 19 3HD ARG 19 7.284 -11.526 3.282 173 HE ARG 19 HE ARG 19 4.526 -12.547 3.459 174 HH11 ARG 19 1HH1 ARG 19 7.952 -13.253 3.058 175 HH12 ARG 19 2HH1 ARG 19 7.759 -14.956 3.325 176 HH21 ARG 19 1HH2 ARG 19 4.278 -14.777 3.801 177 HH22 ARG 19 2HH2 ARG 19 5.660 -15.827 3.750 178 H LYS 20 H LYS 20 8.202 -7.902 5.736 179 HA LYS 20 HA LYS 20 7.328 -9.464 7.939 180 HB2 LYS 20 2HB LYS 20 9.854 -7.763 7.756 181 HB3 LYS 20 3HB LYS 20 9.543 -8.990 8.977 182 HG2 LYS 20 2HG LYS 20 10.043 -9.390 6.024 183 HG3 LYS 20 3HG LYS 20 11.026 -9.949 7.369 184 HD2 LYS 20 2HD LYS 20 8.269 -10.988 6.607 185 HD3 LYS 20 3HD LYS 20 9.805 -11.799 6.315 186 HE2 LYS 20 2HE LYS 20 10.165 -12.090 8.702 187 HE3 LYS 20 3HE LYS 20 8.717 -11.146 9.069 188 HZ1 LYS 20 3HZ LYS 20 8.229 -13.481 9.240 189 HZ2 LYS 20 1HZ LYS 20 8.795 -13.768 7.668 190 HZ3 LYS 20 2HZ LYS 20 7.400 -12.842 7.910 191 H MET 21 H MET 21 7.815 -5.975 7.537 192 HA MET 21 HA MET 21 7.262 -5.178 10.200 193 HB2 MET 21 2HB MET 21 7.248 -3.757 7.527 194 HB3 MET 21 3HB MET 21 6.605 -2.928 8.940 195 HG2 MET 21 2HG MET 21 9.406 -4.038 8.680 196 HG3 MET 21 3HG MET 21 8.944 -2.347 8.533 197 HE1 MET 21 3HE MET 21 7.726 -1.016 10.590 198 HE2 MET 21 1HE MET 21 7.673 -1.637 12.243 199 HE3 MET 21 2HE MET 21 6.649 -2.353 11.001 200 H ALA 22 H ALA 22 5.166 -5.648 7.381 201 HA ALA 22 HA ALA 22 2.763 -4.725 8.532 202 HB1 ALA 22 3HB ALA 22 3.059 -5.027 6.119 203 HB2 ALA 22 1HB ALA 22 1.650 -5.918 6.697 204 HB3 ALA 22 2HB ALA 22 3.153 -6.777 6.332 205 H GLU 23 H GLU 23 4.281 -7.941 8.472 206 HA GLU 23 HA GLU 23 2.183 -9.401 9.711 207 HB2 GLU 23 2HB GLU 23 5.177 -9.974 9.557 208 HB3 GLU 23 3HB GLU 23 3.983 -11.126 10.147 209 HG2 GLU 23 2HG GLU 23 2.870 -11.111 7.929 210 HG3 GLU 23 3HG GLU 23 4.075 -9.968 7.343 211 H LYS 24 H LYS 24 5.049 -7.773 11.006 212 HA LYS 24 HA LYS 24 4.764 -8.470 13.736 213 HB2 LYS 24 2HB LYS 24 6.139 -6.090 12.413 214 HB3 LYS 24 3HB LYS 24 6.265 -6.452 14.134 215 HG2 LYS 24 2HG LYS 24 7.342 -8.596 13.642 216 HG3 LYS 24 3HG LYS 24 7.154 -8.319 11.909 217 HD2 LYS 24 2HD LYS 24 8.652 -6.334 12.081 218 HD3 LYS 24 3HD LYS 24 8.853 -6.647 13.808 219 HE2 LYS 24 2HE LYS 24 9.840 -8.876 13.244 220 HE3 LYS 24 3HE LYS 24 9.714 -8.463 11.532 221 HZ1 LYS 24 3HZ LYS 24 11.936 -8.053 12.458 222 HZ2 LYS 24 1HZ LYS 24 11.287 -6.921 13.528 223 HZ3 LYS 24 2HZ LYS 24 11.232 -6.639 11.864 224 H ALA 25 H ALA 25 3.657 -5.678 11.865 225 HA ALA 25 HA ALA 25 2.367 -4.313 14.039 226 HB1 ALA 25 3HB ALA 25 2.115 -3.904 11.031 227 HB2 ALA 25 1HB ALA 25 3.275 -3.108 12.099 228 HB3 ALA 25 2HB ALA 25 1.551 -2.787 12.280 229 H ASN 26 H ASN 26 1.490 -7.036 12.218 230 HA ASN 26 HA ASN 26 -0.338 -8.077 11.486 231 HB2 ASN 26 2HB ASN 26 -1.352 -6.972 14.107 232 HB3 ASN 26 3HB ASN 26 -2.448 -7.863 13.064 233 HD21 ASN 26 1HD2 ASN 26 -0.417 -9.764 12.102 234 HD22 ASN 26 2HD2 ASN 26 -0.091 -10.816 13.433 235 H LEU 27 H LEU 27 -0.230 -6.802 9.693 236 HA LEU 27 HA LEU 27 -2.664 -5.300 9.028 237 HB2 LEU 27 2HB LEU 27 0.189 -4.453 8.302 238 HB3 LEU 27 3HB LEU 27 -1.257 -3.745 7.602 239 HG LEU 27 HG LEU 27 -0.411 -3.532 10.521 240 HD11 LEU 27 1HD1 LEU 27 -0.013 -1.153 10.034 241 HD12 LEU 27 2HD1 LEU 27 -0.388 -1.428 8.332 242 HD13 LEU 27 3HD1 LEU 27 1.023 -2.198 9.060 243 HD21 LEU 27 3HD2 LEU 27 -2.793 -2.291 9.109 244 HD22 LEU 27 1HD2 LEU 27 -2.270 -1.919 10.756 245 HD23 LEU 27 2HD2 LEU 27 -2.839 -3.537 10.359 246 H GLU 28 H GLU 28 -3.446 -6.017 7.022 247 HA GLU 28 HA GLU 28 -2.151 -8.335 5.864 248 HB2 GLU 28 2HB GLU 28 -4.597 -8.307 6.080 249 HB3 GLU 28 3HB GLU 28 -4.700 -6.872 5.067 250 HG2 GLU 28 2HG GLU 28 -3.765 -8.192 3.156 251 HG3 GLU 28 3HG GLU 28 -3.756 -9.624 4.182 252 H LEU 29 H LEU 29 -0.556 -8.124 4.426 253 HA LEU 29 HA LEU 29 -0.376 -5.677 2.777 254 HB2 LEU 29 2HB LEU 29 1.566 -6.166 4.230 255 HB3 LEU 29 3HB LEU 29 1.815 -7.691 3.406 256 HG LEU 29 HG LEU 29 1.814 -5.210 1.681 257 HD11 LEU 29 1HD1 LEU 29 4.191 -5.881 3.433 258 HD12 LEU 29 2HD1 LEU 29 3.148 -4.467 3.597 259 HD13 LEU 29 3HD1 LEU 29 4.139 -4.665 2.153 260 HD21 LEU 29 3HD2 LEU 29 3.522 -7.720 1.667 261 HD22 LEU 29 1HD2 LEU 29 3.617 -6.408 0.491 262 HD23 LEU 29 2HD2 LEU 29 2.150 -7.371 0.611 263 H ARG 30 H ARG 30 -0.788 -5.805 0.703 264 HA ARG 30 HA ARG 30 -0.957 -8.423 -0.674 265 HB2 ARG 30 2HB ARG 30 -2.528 -5.898 -1.347 266 HB3 ARG 30 3HB ARG 30 -2.781 -7.502 -2.001 267 HG2 ARG 30 2HG ARG 30 -3.247 -6.798 0.913 268 HG3 ARG 30 3HG ARG 30 -4.505 -6.709 -0.320 269 HD2 ARG 30 2HD ARG 30 -2.963 -9.225 0.391 270 HD3 ARG 30 3HD ARG 30 -4.558 -8.814 1.019 271 HE ARG 30 HE ARG 30 -3.897 -9.606 -1.729 272 HH11 ARG 30 1HH1 ARG 30 -6.430 -8.750 0.595 273 HH12 ARG 30 2HH1 ARG 30 -7.705 -9.330 -0.433 274 HH21 ARG 30 1HH2 ARG 30 -5.583 -10.336 -3.036 275 HH22 ARG 30 2HH2 ARG 30 -7.224 -10.223 -2.483 276 H THR 31 H THR 31 0.583 -8.605 -2.218 277 HA THR 31 HA THR 31 2.312 -6.381 -2.887 278 HB THR 31 HB THR 31 3.602 -8.143 -4.161 279 HG1 THR 31 HG1 THR 31 2.542 -10.354 -3.209 280 HG21 THR 31 3HG2 THR 31 4.360 -9.392 -2.182 281 HG22 THR 31 1HG2 THR 31 2.907 -8.914 -1.300 282 HG23 THR 31 2HG2 THR 31 4.096 -7.695 -1.767 283 H VAL 32 H VAL 32 1.843 -5.050 -4.476 284 HA VAL 32 HA VAL 32 -0.082 -5.700 -6.581 285 HB VAL 32 HB VAL 32 1.233 -3.022 -5.957 286 HG11 VAL 32 1HG1 VAL 32 -0.640 -2.032 -7.223 287 HG12 VAL 32 2HG1 VAL 32 -1.257 -3.646 -7.587 288 HG13 VAL 32 3HG1 VAL 32 0.306 -3.132 -8.229 289 HG21 VAL 32 3HG2 VAL 32 -0.007 -3.795 -3.987 290 HG22 VAL 32 1HG2 VAL 32 -1.450 -4.050 -4.971 291 HG23 VAL 32 2HG2 VAL 32 -0.822 -2.419 -4.730 292 H LYS 33 H LYS 33 0.398 -5.462 -8.778 293 HA LYS 33 HA LYS 33 3.252 -5.881 -9.501 294 HB2 LYS 33 2HB LYS 33 0.830 -7.268 -10.750 295 HB3 LYS 33 3HB LYS 33 2.529 -7.714 -10.925 296 HG2 LYS 33 2HG LYS 33 2.644 -8.680 -8.789 297 HG3 LYS 33 3HG LYS 33 1.284 -7.740 -8.177 298 HD2 LYS 33 2HD LYS 33 -0.167 -9.130 -9.814 299 HD3 LYS 33 3HD LYS 33 1.223 -10.216 -9.923 300 HE2 LYS 33 2HE LYS 33 1.139 -10.641 -7.528 301 HE3 LYS 33 3HE LYS 33 -0.115 -9.417 -7.311 302 HZ1 LYS 33 3HZ LYS 33 -1.623 -10.766 -8.613 303 HZ2 LYS 33 1HZ LYS 33 -1.018 -11.655 -7.307 304 HZ3 LYS 33 2HZ LYS 33 -0.421 -11.932 -8.863 305 H THR 34 H THR 34 0.022 -5.132 -10.810 306 HA THR 34 HA THR 34 1.121 -2.965 -12.509 307 HB THR 34 HB THR 34 -0.723 -3.445 -14.136 308 HG1 THR 34 HG1 THR 34 -1.723 -5.627 -13.836 309 HG21 THR 34 3HG2 THR 34 0.160 -5.514 -15.135 310 HG22 THR 34 1HG2 THR 34 1.018 -5.888 -13.637 311 HG23 THR 34 2HG2 THR 34 1.478 -4.475 -14.591 312 H GLU 35 H GLU 35 -0.818 -1.418 -13.120 313 HA GLU 35 HA GLU 35 -1.962 -0.407 -10.714 314 HB2 GLU 35 2HB GLU 35 -2.945 1.346 -12.022 315 HB3 GLU 35 3HB GLU 35 -1.370 1.008 -12.732 316 HG2 GLU 35 2HG GLU 35 -2.410 -0.224 -14.565 317 HG3 GLU 35 3HG GLU 35 -3.992 -0.059 -13.807 318 H ASP 36 H ASP 36 -3.085 -2.642 -13.145 319 HA ASP 36 HA ASP 36 -5.868 -2.572 -12.443 320 HB2 ASP 36 2HB ASP 36 -4.989 -3.263 -14.689 321 HB3 ASP 36 3HB ASP 36 -4.358 -4.732 -13.963 322 H GLU 37 H GLU 37 -3.064 -4.381 -11.308 323 HA GLU 37 HA GLU 37 -4.515 -6.161 -9.590 324 HB2 GLU 37 2HB GLU 37 -1.639 -5.156 -9.406 325 HB3 GLU 37 3HB GLU 37 -2.317 -6.457 -8.433 326 HG2 GLU 37 2HG GLU 37 -2.063 -6.491 -11.448 327 HG3 GLU 37 3HG GLU 37 -0.949 -7.265 -10.332 328 H LEU 38 H LEU 38 -3.123 -2.924 -9.273 329 HA LEU 38 HA LEU 38 -3.607 -2.398 -6.550 330 HB2 LEU 38 2HB LEU 38 -2.237 -1.079 -8.321 331 HB3 LEU 38 3HB LEU 38 -3.745 -0.351 -8.814 332 HG LEU 38 HG LEU 38 -2.287 1.076 -7.329 333 HD11 LEU 38 1HD1 LEU 38 -5.029 0.513 -6.180 334 HD12 LEU 38 2HD1 LEU 38 -4.655 1.605 -7.516 335 HD13 LEU 38 3HD1 LEU 38 -4.051 1.958 -5.900 336 HD21 LEU 38 3HD2 LEU 38 -2.157 0.626 -4.932 337 HD22 LEU 38 1HD2 LEU 38 -1.428 -0.691 -5.853 338 HD23 LEU 38 2HD2 LEU 38 -3.032 -0.891 -5.145 339 H LYS 39 H LYS 39 -5.601 -1.985 -9.445 340 HA LYS 39 HA LYS 39 -7.964 -0.944 -8.338 341 HB2 LYS 39 2HB LYS 39 -7.456 -2.657 -10.796 342 HB3 LYS 39 3HB LYS 39 -9.064 -2.067 -10.389 343 HG2 LYS 39 2HG LYS 39 -8.398 0.223 -10.694 344 HG3 LYS 39 3HG LYS 39 -6.695 -0.231 -10.825 345 HD2 LYS 39 2HD LYS 39 -7.707 0.273 -13.046 346 HD3 LYS 39 3HD LYS 39 -7.100 -1.377 -12.940 347 HE2 LYS 39 2HE LYS 39 -9.474 -2.121 -12.467 348 HE3 LYS 39 3HE LYS 39 -9.993 -0.471 -12.810 349 HZ1 LYS 39 3HZ LYS 39 -9.083 -0.684 -15.039 350 HZ2 LYS 39 1HZ LYS 39 -10.223 -1.897 -14.747 351 HZ3 LYS 39 2HZ LYS 39 -8.573 -2.263 -14.714 352 H LYS 40 H LYS 40 -6.944 -4.347 -8.888 353 HA LYS 40 HA LYS 40 -9.422 -5.555 -8.304 354 HB2 LYS 40 2HB LYS 40 -8.370 -7.583 -8.692 355 HB3 LYS 40 3HB LYS 40 -7.148 -6.536 -9.390 356 HG2 LYS 40 2HG LYS 40 -6.010 -6.627 -7.071 357 HG3 LYS 40 3HG LYS 40 -7.094 -7.969 -6.722 358 HD2 LYS 40 2HD LYS 40 -5.083 -7.849 -8.992 359 HD3 LYS 40 3HD LYS 40 -4.863 -8.713 -7.475 360 HE2 LYS 40 2HE LYS 40 -6.735 -10.207 -8.044 361 HE3 LYS 40 3HE LYS 40 -6.987 -9.324 -9.554 362 HZ1 LYS 40 3HZ LYS 40 -5.681 -11.318 -9.929 363 HZ2 LYS 40 1HZ LYS 40 -4.518 -10.805 -8.810 364 HZ3 LYS 40 2HZ LYS 40 -4.747 -9.941 -10.243 365 H TYR 41 H TYR 41 -6.648 -4.771 -6.268 366 HA TYR 41 HA TYR 41 -7.567 -6.044 -3.894 367 HB2 TYR 41 2HB TYR 41 -5.527 -3.810 -4.263 368 HB3 TYR 41 3HB TYR 41 -5.820 -4.636 -2.735 369 HD1 TYR 41 HD1 TYR 41 -6.066 -7.470 -3.532 370 HD2 TYR 41 HD2 TYR 41 -3.344 -4.490 -4.941 371 HE1 TYR 41 HE1 TYR 41 -4.456 -9.218 -4.137 372 HE2 TYR 41 HE2 TYR 41 -1.736 -6.253 -5.550 373 HH TYR 41 HH TYR 41 -1.220 -8.605 -4.946 374 H LEU 42 H LEU 42 -7.695 -2.649 -5.033 375 HA LEU 42 HA LEU 42 -9.119 -1.598 -2.843 376 HB2 LEU 42 2HB LEU 42 -9.003 -0.662 -5.733 377 HB3 LEU 42 3HB LEU 42 -9.805 0.243 -4.460 378 HG LEU 42 HG LEU 42 -6.823 -0.370 -4.594 379 HD11 LEU 42 1HD1 LEU 42 -8.300 2.259 -4.957 380 HD12 LEU 42 2HD1 LEU 42 -7.522 1.313 -6.230 381 HD13 LEU 42 3HD1 LEU 42 -6.546 2.045 -4.959 382 HD21 LEU 42 3HD2 LEU 42 -7.550 -0.334 -2.256 383 HD22 LEU 42 1HD2 LEU 42 -8.354 1.221 -2.500 384 HD23 LEU 42 2HD2 LEU 42 -6.596 1.101 -2.616 385 H GLU 43 H GLU 43 -10.312 -3.241 -5.771 386 HA GLU 43 HA GLU 43 -13.079 -2.873 -5.450 387 HB2 GLU 43 2HB GLU 43 -11.490 -5.182 -6.632 388 HB3 GLU 43 3HB GLU 43 -13.247 -5.152 -6.659 389 HG2 GLU 43 2HG GLU 43 -11.492 -3.035 -7.922 390 HG3 GLU 43 3HG GLU 43 -12.159 -4.419 -8.784 391 H GLU 44 H GLU 44 -10.935 -5.399 -4.163 392 HA GLU 44 HA GLU 44 -12.850 -6.841 -2.644 393 HB2 GLU 44 2HB GLU 44 -9.839 -6.565 -2.206 394 HB3 GLU 44 3HB GLU 44 -10.865 -7.789 -1.458 395 HG2 GLU 44 2HG GLU 44 -11.350 -8.782 -3.626 396 HG3 GLU 44 3HG GLU 44 -10.472 -7.494 -4.447 397 H PHE 45 H PHE 45 -11.026 -3.907 -2.008 398 HA PHE 45 HA PHE 45 -11.836 -3.705 0.757 399 HB2 PHE 45 2HB PHE 45 -10.464 -1.654 -1.032 400 HB3 PHE 45 3HB PHE 45 -10.614 -1.556 0.719 401 HD1 PHE 45 HD2 PHE 45 -9.970 -4.734 0.985 402 HD2 PHE 45 HD1 PHE 45 -8.024 -1.399 -0.859 403 HE1 PHE 45 HE2 PHE 45 -7.797 -5.883 1.181 404 HE2 PHE 45 HE1 PHE 45 -5.867 -2.558 -0.654 405 HZ PHE 45 HZ PHE 45 -5.746 -4.795 0.361 406 H ARG 46 H ARG 46 -13.264 -2.745 -2.266 407 HA ARG 46 HA ARG 46 -14.715 -0.430 -1.445 408 HB2 ARG 46 2HB ARG 46 -15.154 -2.401 -3.720 409 HB3 ARG 46 3HB ARG 46 -16.279 -1.079 -3.430 410 HG2 ARG 46 2HG ARG 46 -14.464 0.551 -3.788 411 HG3 ARG 46 3HG ARG 46 -13.337 -0.774 -4.093 412 HD2 ARG 46 2HD ARG 46 -14.165 0.225 -6.194 413 HD3 ARG 46 3HD ARG 46 -14.624 -1.470 -6.051 414 HE ARG 46 HE ARG 46 -16.651 0.351 -5.116 415 HH11 ARG 46 1HH1 ARG 46 -15.417 -1.240 -8.030 416 HH12 ARG 46 2HH1 ARG 46 -16.931 -1.096 -8.872 417 HH21 ARG 46 1HH2 ARG 46 -18.611 0.508 -6.238 418 HH22 ARG 46 2HH2 ARG 46 -18.731 -0.111 -7.861 419 H LYS 47 H LYS 47 -15.654 -3.832 -1.720 420 HA LYS 47 HA LYS 47 -18.320 -3.711 -0.885 421 HB2 LYS 47 2HB LYS 47 -17.965 -6.184 -0.287 422 HB3 LYS 47 3HB LYS 47 -17.559 -5.716 -1.935 423 HG2 LYS 47 2HG LYS 47 -15.172 -5.654 -1.362 424 HG3 LYS 47 3HG LYS 47 -15.545 -6.077 0.310 425 HD2 LYS 47 2HD LYS 47 -16.216 -7.855 -2.067 426 HD3 LYS 47 3HD LYS 47 -14.722 -7.987 -1.140 427 HE2 LYS 47 2HE LYS 47 -17.512 -8.319 0.016 428 HE3 LYS 47 3HE LYS 47 -16.429 -9.638 -0.428 429 HZ1 LYS 47 3HZ LYS 47 -14.821 -8.801 1.185 430 HZ2 LYS 47 1HZ LYS 47 -16.290 -9.203 1.922 431 HZ3 LYS 47 2HZ LYS 47 -15.894 -7.584 1.647 432 H GLU 48 H GLU 48 -15.418 -3.527 0.981 433 HA GLU 48 HA GLU 48 -16.933 -3.474 3.525 434 HB2 GLU 48 2HB GLU 48 -14.895 -4.518 4.579 435 HB3 GLU 48 3HB GLU 48 -15.721 -5.574 3.437 436 HG2 GLU 48 2HG GLU 48 -13.993 -4.782 1.692 437 HG3 GLU 48 3HG GLU 48 -13.108 -4.088 3.054 438 H SER 49 H SER 49 -16.371 -1.266 1.829 439 HA SER 49 HA SER 49 -14.098 0.188 2.825 440 HB2 SER 49 2HB SER 49 -14.982 0.481 0.516 441 HB3 SER 49 3HB SER 49 -16.432 1.228 1.176 442 HG SER 49 HG SER 49 -15.154 2.919 1.953 443 H GLN 50 H GLN 50 -16.680 -0.627 4.505 444 HA GLN 50 HA GLN 50 -17.380 1.747 5.920 445 HB2 GLN 50 2HB GLN 50 -18.261 0.123 7.647 446 HB3 GLN 50 3HB GLN 50 -18.893 -0.110 6.026 447 HG2 GLN 50 2HG GLN 50 -17.409 -2.032 5.685 448 HG3 GLN 50 3HG GLN 50 -16.689 -1.777 7.274 449 HE21 GLN 50 1HE2 GLN 50 -17.869 -2.352 9.127 450 HE22 GLN 50 2HE2 GLN 50 -19.279 -3.347 9.057 451 H ASN 51 H ASN 51 -15.752 2.922 6.772 452 HA ASN 51 HA ASN 51 -14.034 3.631 8.062 453 HB2 ASN 51 2HB ASN 51 -14.958 1.287 9.777 454 HB3 ASN 51 3HB ASN 51 -13.737 2.443 10.302 455 HD21 ASN 51 1HD2 ASN 51 -15.035 3.101 12.047 456 HD22 ASN 51 2HD2 ASN 51 -16.449 4.078 11.840 457 H ILE 52 H ILE 52 -12.946 2.694 6.046 458 HA ILE 52 HA ILE 52 -10.849 0.729 6.783 459 HB ILE 52 HB ILE 52 -12.546 -0.051 5.032 460 HG12 ILE 52 2HG1 ILE 52 -9.679 0.079 3.985 461 HG13 ILE 52 3HG1 ILE 52 -10.207 -1.009 5.263 462 HG21 ILE 52 1HG2 ILE 52 -12.339 0.795 2.724 463 HG22 ILE 52 2HG2 ILE 52 -11.184 2.015 3.262 464 HG23 ILE 52 3HG2 ILE 52 -12.854 2.075 3.827 465 HD11 ILE 52 3HD1 ILE 52 -10.092 -2.146 3.129 466 HD12 ILE 52 1HD1 ILE 52 -11.240 -1.005 2.428 467 HD13 ILE 52 2HD1 ILE 52 -11.752 -2.096 3.719 468 H LYS 53 H LYS 53 -8.758 1.201 6.176 469 HA LYS 53 HA LYS 53 -8.173 3.592 4.601 470 HB2 LYS 53 2HB LYS 53 -6.912 2.971 7.314 471 HB3 LYS 53 3HB LYS 53 -6.293 4.175 6.184 472 HG2 LYS 53 2HG LYS 53 -8.432 5.420 6.352 473 HG3 LYS 53 3HG LYS 53 -9.020 4.226 7.512 474 HD2 LYS 53 2HD LYS 53 -7.216 4.857 9.082 475 HD3 LYS 53 3HD LYS 53 -6.613 6.041 7.916 476 HE2 LYS 53 2HE LYS 53 -9.384 6.103 9.159 477 HE3 LYS 53 3HE LYS 53 -8.010 7.053 9.711 478 HZ1 LYS 53 3HZ LYS 53 -9.205 7.212 7.004 479 HZ2 LYS 53 1HZ LYS 53 -7.929 8.152 7.584 480 HZ3 LYS 53 2HZ LYS 53 -9.473 8.319 8.255 481 H VAL 54 H VAL 54 -6.622 3.235 3.194 482 HA VAL 54 HA VAL 54 -5.039 0.722 3.304 483 HB VAL 54 HB VAL 54 -6.018 2.162 0.791 484 HG11 VAL 54 1HG1 VAL 54 -3.918 0.953 0.428 485 HG12 VAL 54 2HG1 VAL 54 -5.246 0.167 -0.427 486 HG13 VAL 54 3HG1 VAL 54 -4.638 -0.523 1.079 487 HG21 VAL 54 3HG2 VAL 54 -7.924 1.164 1.999 488 HG22 VAL 54 1HG2 VAL 54 -7.101 -0.399 2.024 489 HG23 VAL 54 2HG2 VAL 54 -7.615 0.304 0.488 490 H LEU 55 H LEU 55 -2.863 0.937 3.108 491 HA LEU 55 HA LEU 55 -1.685 3.595 2.499 492 HB2 LEU 55 2HB LEU 55 -1.264 2.727 4.805 493 HB3 LEU 55 3HB LEU 55 -0.561 1.270 4.119 494 HG LEU 55 HG LEU 55 1.178 2.810 2.995 495 HD11 LEU 55 1HD1 LEU 55 0.041 4.943 3.233 496 HD12 LEU 55 2HD1 LEU 55 1.616 4.977 4.021 497 HD13 LEU 55 3HD1 LEU 55 0.149 4.833 4.993 498 HD21 LEU 55 3HD2 LEU 55 1.211 2.596 6.010 499 HD22 LEU 55 1HD2 LEU 55 2.606 2.856 4.961 500 HD23 LEU 55 2HD2 LEU 55 1.707 1.344 4.871 501 H ILE 56 H ILE 56 -0.874 3.611 0.460 502 HA ILE 56 HA ILE 56 0.084 1.077 -0.748 503 HB ILE 56 HB ILE 56 -0.797 3.611 -2.226 504 HG12 ILE 56 2HG1 ILE 56 -2.356 1.006 -1.824 505 HG13 ILE 56 3HG1 ILE 56 -2.704 2.516 -1.000 506 HG21 ILE 56 1HG2 ILE 56 -0.778 2.136 -4.232 507 HG22 ILE 56 2HG2 ILE 56 -0.168 0.808 -3.246 508 HG23 ILE 56 3HG2 ILE 56 0.819 2.250 -3.489 509 HD11 ILE 56 3HD1 ILE 56 -3.303 3.550 -3.112 510 HD12 ILE 56 1HD1 ILE 56 -4.246 2.091 -2.813 511 HD13 ILE 56 2HD1 ILE 56 -2.915 2.055 -3.968 512 H LEU 57 H LEU 57 2.257 0.923 -0.669 513 HA LEU 57 HA LEU 57 3.972 3.336 -0.643 514 HB2 LEU 57 2HB LEU 57 4.724 0.433 -0.036 515 HB3 LEU 57 3HB LEU 57 5.814 1.803 0.038 516 HG LEU 57 HG LEU 57 5.307 1.317 2.285 517 HD11 LEU 57 1HD1 LEU 57 5.205 3.703 1.832 518 HD12 LEU 57 2HD1 LEU 57 4.113 3.266 3.141 519 HD13 LEU 57 3HD1 LEU 57 3.466 3.601 1.533 520 HD21 LEU 57 3HD2 LEU 57 2.349 1.162 1.614 521 HD22 LEU 57 1HD2 LEU 57 3.075 0.941 3.209 522 HD23 LEU 57 2HD2 LEU 57 3.419 -0.209 1.921 523 H VAL 58 H VAL 58 4.699 3.912 -2.591 524 HA VAL 58 HA VAL 58 4.929 1.863 -4.731 525 HB VAL 58 HB VAL 58 4.468 3.667 -6.340 526 HG11 VAL 58 1HG1 VAL 58 2.560 2.405 -5.431 527 HG12 VAL 58 2HG1 VAL 58 2.093 4.061 -5.811 528 HG13 VAL 58 3HG1 VAL 58 2.371 3.586 -4.132 529 HG21 VAL 58 3HG2 VAL 58 3.774 5.919 -5.623 530 HG22 VAL 58 1HG2 VAL 58 5.426 5.580 -5.121 531 HG23 VAL 58 2HG2 VAL 58 4.115 5.510 -3.943 532 H SER 59 H SER 59 6.841 1.704 -5.822 533 HA SER 59 HA SER 59 9.154 3.207 -4.853 534 HB2 SER 59 2HB SER 59 9.193 0.692 -5.049 535 HB3 SER 59 3HB SER 59 9.072 0.864 -6.798 536 HG SER 59 HG SER 59 11.053 2.119 -6.657 537 H ASN 60 H ASN 60 6.881 3.563 -7.242 538 HA ASN 60 HA ASN 60 8.680 5.020 -9.093 539 HB2 ASN 60 2HB ASN 60 6.340 3.180 -9.782 540 HB3 ASN 60 3HB ASN 60 7.154 4.218 -10.948 541 HD21 ASN 60 1HD2 ASN 60 6.886 1.244 -10.732 542 HD22 ASN 60 2HD2 ASN 60 8.506 0.651 -10.830 543 H ASP 61 H ASP 61 7.971 7.040 -9.636 544 HA ASP 61 HA ASP 61 5.904 8.291 -8.182 545 HB2 ASP 61 2HB ASP 61 6.446 10.329 -9.415 546 HB3 ASP 61 3HB ASP 61 7.925 9.499 -8.960 547 H GLU 62 H GLU 62 5.857 6.802 -11.361 548 HA GLU 62 HA GLU 62 3.383 7.964 -12.246 549 HB2 GLU 62 2HB GLU 62 5.006 6.876 -13.822 550 HB3 GLU 62 3HB GLU 62 4.634 5.309 -13.113 551 HG2 GLU 62 2HG GLU 62 2.308 5.481 -13.890 552 HG3 GLU 62 3HG GLU 62 2.617 7.095 -14.521 553 H GLU 63 H GLU 63 4.297 5.087 -10.422 554 HA GLU 63 HA GLU 63 1.681 3.998 -10.131 555 HB2 GLU 63 2HB GLU 63 4.201 3.540 -8.491 556 HB3 GLU 63 3HB GLU 63 2.713 2.617 -8.301 557 HG2 GLU 63 2HG GLU 63 4.486 2.712 -10.753 558 HG3 GLU 63 3HG GLU 63 4.272 1.359 -9.647 559 H LEU 64 H LEU 64 3.546 6.359 -8.279 560 HA LEU 64 HA LEU 64 1.893 6.745 -6.069 561 HB2 LEU 64 2HB LEU 64 4.084 7.876 -6.386 562 HB3 LEU 64 3HB LEU 64 3.413 8.828 -7.694 563 HG LEU 64 HG LEU 64 1.856 9.925 -6.030 564 HD11 LEU 64 1HD1 LEU 64 1.791 8.218 -4.307 565 HD12 LEU 64 2HD1 LEU 64 2.342 9.746 -3.629 566 HD13 LEU 64 3HD1 LEU 64 3.503 8.456 -3.955 567 HD21 LEU 64 3HD2 LEU 64 3.549 11.402 -5.035 568 HD22 LEU 64 1HD2 LEU 64 3.915 11.053 -6.726 569 HD23 LEU 64 2HD2 LEU 64 4.819 10.245 -5.444 570 H ASP 65 H ASP 65 1.730 8.207 -9.329 571 HA ASP 65 HA ASP 65 -0.563 9.785 -8.916 572 HB2 ASP 65 2HB ASP 65 1.123 10.108 -10.777 573 HB3 ASP 65 3HB ASP 65 0.458 8.689 -11.579 574 H LYS 66 H LYS 66 -0.114 6.514 -10.250 575 HA LYS 66 HA LYS 66 -2.738 6.043 -11.161 576 HB2 LYS 66 2HB LYS 66 -0.319 4.368 -10.619 577 HB3 LYS 66 3HB LYS 66 -1.837 3.493 -10.510 578 HG2 LYS 66 2HG LYS 66 -0.780 3.307 -12.730 579 HG3 LYS 66 3HG LYS 66 -2.388 4.032 -12.804 580 HD2 LYS 66 2HD LYS 66 -1.368 6.271 -13.017 581 HD3 LYS 66 3HD LYS 66 0.244 5.556 -12.918 582 HE2 LYS 66 2HE LYS 66 -0.422 6.096 -15.249 583 HE3 LYS 66 3HE LYS 66 -0.121 4.371 -15.031 584 HZ1 LYS 66 3HZ LYS 66 -2.436 3.937 -15.007 585 HZ2 LYS 66 1HZ LYS 66 -2.149 4.946 -16.335 586 HZ3 LYS 66 2HZ LYS 66 -2.822 5.578 -14.921 587 H ALA 67 H ALA 67 -1.132 5.158 -8.092 588 HA ALA 67 HA ALA 67 -3.266 3.749 -6.951 589 HB1 ALA 67 3HB ALA 67 -1.964 3.909 -4.863 590 HB2 ALA 67 1HB ALA 67 -0.912 5.119 -5.614 591 HB3 ALA 67 2HB ALA 67 -0.953 3.471 -6.236 592 H LYS 68 H LYS 68 -2.321 7.205 -6.624 593 HA LYS 68 HA LYS 68 -4.242 7.982 -4.700 594 HB2 LYS 68 2HB LYS 68 -3.020 9.610 -6.964 595 HB3 LYS 68 3HB LYS 68 -4.020 10.303 -5.691 596 HG2 LYS 68 2HG LYS 68 -2.338 9.617 -4.003 597 HG3 LYS 68 3HG LYS 68 -1.327 8.957 -5.291 598 HD2 LYS 68 2HD LYS 68 -2.128 11.873 -4.927 599 HD3 LYS 68 3HD LYS 68 -0.520 11.190 -4.688 600 HE2 LYS 68 2HE LYS 68 -0.329 10.699 -7.076 601 HE3 LYS 68 3HE LYS 68 -1.988 11.236 -7.353 602 HZ1 LYS 68 3HZ LYS 68 0.284 12.927 -6.473 603 HZ2 LYS 68 1HZ LYS 68 -1.309 13.465 -6.624 604 HZ3 LYS 68 2HZ LYS 68 -0.457 12.954 -7.990 605 H GLU 69 H GLU 69 -4.387 8.187 -8.264 606 HA GLU 69 HA GLU 69 -6.902 9.491 -8.385 607 HB2 GLU 69 2HB GLU 69 -5.507 7.859 -10.549 608 HB3 GLU 69 3HB GLU 69 -6.839 8.975 -10.818 609 HG2 GLU 69 2HG GLU 69 -4.085 9.717 -9.804 610 HG3 GLU 69 3HG GLU 69 -4.663 9.946 -11.442 611 H LEU 70 H LEU 70 -5.987 6.077 -8.734 612 HA LEU 70 HA LEU 70 -8.515 4.982 -9.317 613 HB2 LEU 70 2HB LEU 70 -6.112 3.706 -7.929 614 HB3 LEU 70 3HB LEU 70 -7.512 2.808 -8.497 615 HG LEU 70 HG LEU 70 -5.583 4.364 -10.271 616 HD11 LEU 70 1HD1 LEU 70 -4.832 2.173 -11.104 617 HD12 LEU 70 2HD1 LEU 70 -5.876 1.362 -9.933 618 HD13 LEU 70 3HD1 LEU 70 -4.526 2.350 -9.375 619 HD21 LEU 70 3HD2 LEU 70 -7.846 4.382 -11.194 620 HD22 LEU 70 1HD2 LEU 70 -7.934 2.623 -11.066 621 HD23 LEU 70 2HD2 LEU 70 -6.778 3.378 -12.168 622 H ALA 71 H ALA 71 -6.802 5.441 -6.197 623 HA ALA 71 HA ALA 71 -8.594 4.314 -4.401 624 HB1 ALA 71 3HB ALA 71 -6.822 6.748 -4.020 625 HB2 ALA 71 1HB ALA 71 -6.345 5.068 -3.791 626 HB3 ALA 71 2HB ALA 71 -7.543 5.799 -2.717 627 H GLN 72 H GLN 72 -8.564 7.604 -5.712 628 HA GLN 72 HA GLN 72 -10.707 8.674 -4.163 629 HB2 GLN 72 2HB GLN 72 -9.723 9.592 -6.901 630 HB3 GLN 72 3HB GLN 72 -10.655 10.555 -5.753 631 HG2 GLN 72 2HG GLN 72 -8.798 10.674 -4.223 632 HG3 GLN 72 3HG GLN 72 -7.900 9.461 -5.134 633 HE21 GLN 72 1HE2 GLN 72 -6.117 10.690 -5.617 634 HE22 GLN 72 2HE2 GLN 72 -6.157 12.081 -6.645 635 H LYS 73 H LYS 73 -10.501 7.131 -7.357 636 HA LYS 73 HA LYS 73 -13.260 7.458 -8.065 637 HB2 LYS 73 2HB LYS 73 -11.172 5.539 -9.187 638 HB3 LYS 73 3HB LYS 73 -12.760 5.817 -9.894 639 HG2 LYS 73 2HG LYS 73 -10.535 7.858 -9.628 640 HG3 LYS 73 3HG LYS 73 -11.029 7.049 -11.108 641 HD2 LYS 73 2HD LYS 73 -12.843 8.910 -9.520 642 HD3 LYS 73 3HD LYS 73 -11.823 9.448 -10.850 643 HE2 LYS 73 2HE LYS 73 -14.041 9.153 -11.719 644 HE3 LYS 73 3HE LYS 73 -13.063 7.833 -12.352 645 HZ1 LYS 73 3HZ LYS 73 -14.886 7.608 -10.014 646 HZ2 LYS 73 1HZ LYS 73 -14.042 6.347 -10.755 647 HZ3 LYS 73 2HZ LYS 73 -15.281 7.135 -11.584 648 H MET 74 H MET 74 -11.627 5.252 -6.002 649 HA MET 74 HA MET 74 -13.766 3.248 -5.984 650 HB2 MET 74 2HB MET 74 -11.202 3.452 -4.338 651 HB3 MET 74 3HB MET 74 -12.326 2.098 -4.303 652 HG2 MET 74 2HG MET 74 -10.805 2.962 -6.753 653 HG3 MET 74 3HG MET 74 -10.273 1.706 -5.641 654 HE1 MET 74 3HE MET 74 -11.250 -0.559 -8.575 655 HE2 MET 74 1HE MET 74 -10.105 -0.270 -7.267 656 HE3 MET 74 2HE MET 74 -10.298 0.927 -8.551 657 H GLU 75 H GLU 75 -13.451 6.242 -4.667 658 HA GLU 75 HA GLU 75 -14.189 7.415 -2.852 659 HB2 GLU 75 2HB GLU 75 -16.145 5.110 -2.444 660 HB3 GLU 75 3HB GLU 75 -16.331 6.756 -1.856 661 HG2 GLU 75 2HG GLU 75 -16.417 5.847 -4.746 662 HG3 GLU 75 3HG GLU 75 -17.778 6.389 -3.767 663 H ILE 76 H ILE 76 -12.141 5.122 -2.335 664 HA ILE 76 HA ILE 76 -12.652 4.423 0.479 665 HB ILE 76 HB ILE 76 -10.423 3.517 -1.415 666 HG12 ILE 76 2HG1 ILE 76 -12.873 1.972 -0.439 667 HG13 ILE 76 3HG1 ILE 76 -12.723 2.704 -2.031 668 HG21 ILE 76 1HG2 ILE 76 -9.895 1.787 0.281 669 HG22 ILE 76 2HG2 ILE 76 -11.110 2.472 1.358 670 HG23 ILE 76 3HG2 ILE 76 -9.676 3.410 0.940 671 HD11 ILE 76 3HD1 ILE 76 -12.319 0.323 -2.105 672 HD12 ILE 76 1HD1 ILE 76 -10.993 0.485 -0.953 673 HD13 ILE 76 2HD1 ILE 76 -10.870 1.214 -2.558 674 H ASP 77 H ASP 77 -11.460 5.249 2.191 675 HA ASP 77 HA ASP 77 -9.795 7.567 1.825 676 HB2 ASP 77 2HB ASP 77 -11.251 7.197 3.861 677 HB3 ASP 77 3HB ASP 77 -10.179 5.887 4.346 678 H VAL 78 H VAL 78 -7.779 7.348 1.002 679 HA VAL 78 HA VAL 78 -6.033 5.110 1.875 680 HB VAL 78 HB VAL 78 -6.369 6.158 -0.978 681 HG11 VAL 78 1HG1 VAL 78 -4.474 4.007 0.019 682 HG12 VAL 78 2HG1 VAL 78 -4.015 5.610 -0.558 683 HG13 VAL 78 3HG1 VAL 78 -4.741 4.451 -1.671 684 HG21 VAL 78 3HG2 VAL 78 -7.133 3.843 -1.511 685 HG22 VAL 78 1HG2 VAL 78 -8.203 4.668 -0.374 686 HG23 VAL 78 2HG2 VAL 78 -7.072 3.448 0.206 687 H ARG 79 H ARG 79 -3.953 5.630 2.274 688 HA ARG 79 HA ARG 79 -2.907 8.327 1.664 689 HB2 ARG 79 2HB ARG 79 -2.471 6.477 4.019 690 HB3 ARG 79 3HB ARG 79 -1.106 7.446 3.480 691 HG2 ARG 79 2HG ARG 79 -2.251 8.587 5.295 692 HG3 ARG 79 3HG ARG 79 -2.417 9.511 3.804 693 HD2 ARG 79 2HD ARG 79 -4.728 8.390 3.564 694 HD3 ARG 79 3HD ARG 79 -4.530 7.875 5.241 695 HE ARG 79 HE ARG 79 -4.132 10.449 5.564 696 HH11 ARG 79 1HH1 ARG 79 -6.546 8.940 3.492 697 HH12 ARG 79 2HH1 ARG 79 -7.661 10.259 3.622 698 HH21 ARG 79 1HH2 ARG 79 -5.607 12.192 5.702 699 HH22 ARG 79 2HH2 ARG 79 -7.128 12.101 4.869 700 H THR 80 H THR 80 -1.600 8.280 -0.052 701 HA THR 80 HA THR 80 -0.222 5.783 -0.826 702 HB THR 80 HB THR 80 -0.848 8.200 -2.596 703 HG1 THR 80 HG1 THR 80 -2.206 5.743 -2.859 704 HG21 THR 80 3HG2 THR 80 0.005 5.367 -3.327 705 HG22 THR 80 1HG2 THR 80 1.052 6.791 -3.373 706 HG23 THR 80 2HG2 THR 80 -0.333 6.680 -4.457 707 H ARG 81 H ARG 81 1.873 5.806 -0.261 708 HA ARG 81 HA ARG 81 3.366 8.366 -0.062 709 HB2 ARG 81 2HB ARG 81 3.613 5.871 1.678 710 HB3 ARG 81 3HB ARG 81 4.660 7.275 1.795 711 HG2 ARG 81 2HG ARG 81 1.665 7.397 2.259 712 HG3 ARG 81 3HG ARG 81 2.829 7.090 3.547 713 HD2 ARG 81 2HD ARG 81 2.242 9.410 3.613 714 HD3 ARG 81 3HD ARG 81 3.899 9.302 3.019 715 HE ARG 81 HE ARG 81 2.275 9.411 0.776 716 HH11 ARG 81 1HH1 ARG 81 2.880 11.527 3.521 717 HH12 ARG 81 2HH1 ARG 81 2.543 12.981 2.634 718 HH21 ARG 81 1HH2 ARG 81 1.897 11.332 -0.398 719 HH22 ARG 81 2HH2 ARG 81 1.986 12.865 0.413 720 H LYS 82 H LYS 82 5.208 8.475 -1.241 721 HA LYS 82 HA LYS 82 5.960 6.138 -2.854 722 HB2 LYS 82 2HB LYS 82 5.464 8.316 -4.010 723 HB3 LYS 82 3HB LYS 82 6.844 9.039 -3.183 724 HG2 LYS 82 2HG LYS 82 8.304 7.254 -4.273 725 HG3 LYS 82 3HG LYS 82 6.890 6.785 -5.222 726 HD2 LYS 82 2HD LYS 82 8.307 8.272 -6.535 727 HD3 LYS 82 3HD LYS 82 6.783 9.084 -6.162 728 HE2 LYS 82 2HE LYS 82 7.874 10.339 -4.351 729 HE3 LYS 82 3HE LYS 82 9.391 9.487 -4.655 730 HZ1 LYS 82 3HZ LYS 82 8.022 11.204 -6.649 731 HZ2 LYS 82 1HZ LYS 82 9.546 10.497 -6.797 732 HZ3 LYS 82 2HZ LYS 82 9.287 11.721 -5.659 733 H VAL 83 H VAL 83 7.638 4.994 -2.298 734 HA VAL 83 HA VAL 83 9.765 6.068 -0.545 735 HB VAL 83 HB VAL 83 9.952 3.807 0.416 736 HG11 VAL 83 1HG1 VAL 83 7.785 3.726 1.629 737 HG12 VAL 83 2HG1 VAL 83 7.079 4.828 0.449 738 HG13 VAL 83 3HG1 VAL 83 8.397 5.375 1.489 739 HG21 VAL 83 3HG2 VAL 83 9.304 2.434 -1.530 740 HG22 VAL 83 1HG2 VAL 83 7.640 3.010 -1.415 741 HG23 VAL 83 2HG2 VAL 83 8.320 2.004 -0.133 742 H THR 84 H THR 84 11.850 5.830 -1.259 743 HA THR 84 HA THR 84 12.392 4.189 -3.676 744 HB THR 84 HB THR 84 14.415 5.684 -3.982 745 HG1 THR 84 HG1 THR 84 14.840 6.735 -2.163 746 HG21 THR 84 3HG2 THR 84 12.347 6.149 -5.274 747 HG22 THR 84 1HG2 THR 84 13.193 7.642 -4.859 748 HG23 THR 84 2HG2 THR 84 11.754 7.164 -3.958 749 H SER 85 H SER 85 12.900 4.480 -0.326 750 HA SER 85 HA SER 85 15.129 2.531 -0.330 751 HB2 SER 85 2HB SER 85 14.414 4.444 1.942 752 HB3 SER 85 3HB SER 85 15.881 3.480 1.766 753 HG SER 85 HG SER 85 15.068 5.703 0.193 754 HA PRO 86 HA PRO 86 12.201 -0.399 1.572 755 HB2 PRO 86 2HB PRO 86 14.613 -1.201 3.208 756 HB3 PRO 86 3HB PRO 86 13.482 -2.214 2.281 757 HG2 PRO 86 2HG PRO 86 15.881 -1.716 1.294 758 HG3 PRO 86 3HG PRO 86 14.455 -1.688 0.229 759 HD2 PRO 86 2HD PRO 86 15.994 0.633 1.377 760 HD3 PRO 86 3HD PRO 86 15.286 0.438 -0.245 761 H ASP 87 H ASP 87 14.432 1.407 3.702 762 HA ASP 87 HA ASP 87 12.969 0.928 6.112 763 HB2 ASP 87 2HB ASP 87 15.150 2.926 5.448 764 HB3 ASP 87 3HB ASP 87 14.380 2.901 7.032 765 H GLU 88 H GLU 88 12.649 3.382 3.635 766 HA GLU 88 HA GLU 88 10.938 5.184 5.036 767 HB2 GLU 88 2HB GLU 88 11.112 4.583 2.044 768 HB3 GLU 88 3HB GLU 88 10.217 5.927 2.744 769 HG2 GLU 88 2HG GLU 88 12.359 6.840 3.644 770 HG3 GLU 88 3HG GLU 88 13.219 5.524 2.846 771 H ALA 89 H ALA 89 10.343 2.335 2.979 772 HA ALA 89 HA ALA 89 7.514 2.398 2.949 773 HB1 ALA 89 3HB ALA 89 8.840 1.076 1.334 774 HB2 ALA 89 1HB ALA 89 7.647 0.070 2.154 775 HB3 ALA 89 2HB ALA 89 9.348 -0.012 2.627 776 H LYS 90 H LYS 90 9.844 0.687 4.996 777 HA LYS 90 HA LYS 90 8.133 -0.789 6.628 778 HB2 LYS 90 2HB LYS 90 10.877 0.412 7.153 779 HB3 LYS 90 3HB LYS 90 10.098 -0.754 8.217 780 HG2 LYS 90 2HG LYS 90 10.234 -2.493 6.554 781 HG3 LYS 90 3HG LYS 90 10.752 -1.344 5.314 782 HD2 LYS 90 2HD LYS 90 12.638 -2.731 6.260 783 HD3 LYS 90 3HD LYS 90 12.877 -0.989 6.411 784 HE2 LYS 90 2HE LYS 90 12.178 -1.091 8.772 785 HE3 LYS 90 3HE LYS 90 11.905 -2.828 8.626 786 HZ1 LYS 90 3HZ LYS 90 14.524 -1.492 8.203 787 HZ2 LYS 90 1HZ LYS 90 14.226 -3.156 8.216 788 HZ3 LYS 90 2HZ LYS 90 14.052 -2.254 9.637 789 H ARG 91 H ARG 91 9.487 2.507 7.014 790 HA ARG 91 HA ARG 91 8.557 2.995 9.612 791 HB2 ARG 91 2HB ARG 91 10.251 4.479 8.568 792 HB3 ARG 91 3HB ARG 91 9.037 5.077 7.435 793 HG2 ARG 91 2HG ARG 91 7.694 5.762 9.575 794 HG3 ARG 91 3HG ARG 91 9.218 5.547 10.424 795 HD2 ARG 91 2HD ARG 91 10.235 7.356 9.261 796 HD3 ARG 91 3HD ARG 91 8.967 7.372 8.025 797 HE ARG 91 HE ARG 91 8.173 7.943 10.785 798 HH11 ARG 91 1HH1 ARG 91 8.872 9.268 7.591 799 HH12 ARG 91 2HH1 ARG 91 8.061 10.769 7.918 800 HH21 ARG 91 1HH2 ARG 91 7.052 9.873 11.170 801 HH22 ARG 91 2HH2 ARG 91 7.028 11.115 9.956 802 H TRP 92 H TRP 92 7.077 3.976 6.435 803 HA TRP 92 HA TRP 92 4.854 5.222 7.524 804 HB2 TRP 92 2HB TRP 92 5.149 3.830 4.838 805 HB3 TRP 92 3HB TRP 92 3.760 4.823 5.274 806 HD1 TRP 92 HD1 TRP 92 6.790 5.138 3.372 807 HE1 TRP 92 HE1 TRP 92 7.569 7.568 3.158 808 HE3 TRP 92 HE3 TRP 92 3.949 7.254 7.072 809 HZ2 TRP 92 HZ2 TRP 92 7.064 10.048 4.358 810 HZ3 TRP 92 HZ3 TRP 92 4.158 9.675 7.467 811 HH2 TRP 92 HH2 TRP 92 5.686 11.044 6.137 812 H ILE 93 H ILE 93 5.381 1.768 6.999 813 HA ILE 93 HA ILE 93 2.680 0.893 7.354 814 HB ILE 93 HB ILE 93 5.346 -0.555 7.705 815 HG12 ILE 93 2HG1 ILE 93 3.248 -0.732 5.489 816 HG13 ILE 93 3HG1 ILE 93 4.758 0.166 5.387 817 HG21 ILE 93 1HG2 ILE 93 3.693 -1.684 9.147 818 HG22 ILE 93 2HG2 ILE 93 4.110 -2.699 7.767 819 HG23 ILE 93 3HG2 ILE 93 2.578 -1.823 7.785 820 HD11 ILE 93 3HD1 ILE 93 4.919 -1.921 4.209 821 HD12 ILE 93 1HD1 ILE 93 4.491 -2.818 5.667 822 HD13 ILE 93 2HD1 ILE 93 6.010 -1.917 5.596 823 H LYS 94 H LYS 94 5.482 1.287 9.552 824 HA LYS 94 HA LYS 94 4.239 0.663 11.980 825 HB2 LYS 94 2HB LYS 94 6.643 0.939 11.910 826 HB3 LYS 94 3HB LYS 94 6.504 2.600 11.342 827 HG2 LYS 94 2HG LYS 94 5.514 3.248 13.520 828 HG3 LYS 94 3HG LYS 94 5.689 1.584 14.082 829 HD2 LYS 94 2HD LYS 94 8.142 1.756 13.883 830 HD3 LYS 94 3HD LYS 94 7.984 3.398 13.244 831 HE2 LYS 94 2HE LYS 94 8.595 3.358 15.655 832 HE3 LYS 94 3HE LYS 94 7.058 4.178 15.362 833 HZ1 LYS 94 3HZ LYS 94 7.024 2.649 17.284 834 HZ2 LYS 94 1HZ LYS 94 7.307 1.348 16.242 835 HZ3 LYS 94 2HZ LYS 94 5.879 2.244 16.110 836 H GLU 95 H GLU 95 4.455 3.841 10.280 837 HA GLU 95 HA GLU 95 3.215 5.429 12.259 838 HB2 GLU 95 2HB GLU 95 3.180 5.924 9.247 839 HB3 GLU 95 3HB GLU 95 2.973 7.132 10.509 840 HG2 GLU 95 2HG GLU 95 5.507 5.586 9.924 841 HG3 GLU 95 3HG GLU 95 5.192 7.251 9.469 842 H PHE 96 H PHE 96 1.967 3.589 9.572 843 HA PHE 96 HA PHE 96 -0.747 4.508 9.615 844 HB2 PHE 96 2HB PHE 96 0.360 3.645 7.587 845 HB3 PHE 96 3HB PHE 96 0.575 2.072 8.340 846 HD1 PHE 96 HD1 PHE 96 -2.160 4.489 7.407 847 HD2 PHE 96 HD2 PHE 96 -0.978 0.397 7.825 848 HE1 PHE 96 HE1 PHE 96 -4.295 3.759 6.419 849 HE2 PHE 96 HE2 PHE 96 -3.111 -0.317 6.844 850 HZ PHE 96 HZ PHE 96 -4.759 1.359 6.146 851 H SER 97 H SER 97 1.028 1.949 11.203 852 HA SER 97 HA SER 97 -1.337 0.643 12.277 853 HB2 SER 97 2HB SER 97 0.724 -0.627 11.646 854 HB3 SER 97 3HB SER 97 1.603 0.186 12.943 855 HG SER 97 HG SER 97 -0.537 -1.657 13.109 856 H GLU 98 H GLU 98 1.058 3.038 13.338 857 HA GLU 98 HA GLU 98 0.458 2.921 16.140 858 HB2 GLU 98 2HB GLU 98 1.866 5.085 14.508 859 HB3 GLU 98 3HB GLU 98 1.736 5.101 16.260 860 HG2 GLU 98 2HG GLU 98 3.281 3.143 14.554 861 HG3 GLU 98 3HG GLU 98 3.935 4.352 15.649 862 H GLU 99 H GLU 99 -0.143 5.351 13.629 863 HA GLU 99 HA GLU 99 -2.105 6.835 15.095 864 HB2 GLU 99 2HB GLU 99 -1.337 6.882 12.140 865 HB3 GLU 99 3HB GLU 99 -2.350 8.084 12.938 866 HG2 GLU 99 2HG GLU 99 -0.500 8.875 14.263 867 HG3 GLU 99 3HG GLU 99 0.518 7.535 13.748 868 H GLY 100 H GLY 100 -2.197 4.552 12.305 869 HA2 GLY 100 2HA GLY 100 -3.962 3.578 11.168 870 HA3 GLY 100 3HA GLY 100 -5.009 3.957 12.539 871 H GLY 101 H GLY 101 -5.802 6.080 12.734 872 HA2 GLY 101 2HA GLY 101 -5.310 8.049 10.601 873 HA3 GLY 101 3HA GLY 101 -6.977 7.623 10.989 874 H SER 102 H SER 102 -4.088 9.232 12.134 875 HA SER 102 HA SER 102 -4.809 9.740 14.802 876 HB2 SER 102 2HB SER 102 -3.099 11.593 14.675 877 HB3 SER 102 3HB SER 102 -2.515 10.057 14.033 878 HG SER 102 HG SER 102 -1.965 11.470 12.487 879 H LEU 103 H LEU 103 -6.020 11.109 11.911 880 HA LEU 103 HA LEU 103 -7.520 12.645 11.346 881 HB2 LEU 103 2HB LEU 103 -8.649 11.550 13.518 882 HB3 LEU 103 3HB LEU 103 -8.419 13.152 14.183 883 HG LEU 103 HG LEU 103 -10.040 12.477 11.690 884 HD11 LEU 103 1HD1 LEU 103 -12.020 13.066 13.038 885 HD12 LEU 103 2HD1 LEU 103 -10.994 13.250 14.464 886 HD13 LEU 103 3HD1 LEU 103 -11.151 11.674 13.686 887 HD21 LEU 103 3HD2 LEU 103 -10.837 14.815 11.756 888 HD22 LEU 103 1HD2 LEU 103 -9.102 14.710 11.454 889 HD23 LEU 103 2HD2 LEU 103 -9.693 15.167 13.053 890 H GLU 104 H GLU 104 -5.564 13.786 10.850 891 HA GLU 104 HA GLU 104 -4.620 16.006 12.347 892 HB2 GLU 104 2HB GLU 104 -4.476 15.381 9.372 893 HB3 GLU 104 3HB GLU 104 -3.631 16.730 10.124 894 HG2 GLU 104 2HG GLU 104 -3.193 13.788 10.714 895 HG3 GLU 104 3HG GLU 104 -2.127 14.832 9.774 896 H HIS 105 H HIS 105 -4.901 18.269 11.848 897 HA HIS 105 HA HIS 105 -7.647 19.001 11.294 898 HB2 HIS 105 2HB HIS 105 -6.392 20.167 13.078 899 HB3 HIS 105 3HB HIS 105 -5.225 20.763 11.900 900 HD1 HIS 105 HD1 HIS 105 -5.649 23.118 11.312 901 HD2 HIS 105 HD2 HIS 105 -9.196 21.145 12.208 902 HE1 HIS 105 HE1 HIS 105 -7.461 24.819 11.001 903 HE2 HIS 105 HE2 HIS 105 -9.570 23.655 11.715 904 H HIS 106 H HIS 106 -7.577 18.049 9.174 905 HA HIS 106 HA HIS 106 -7.619 19.861 7.073 906 HB2 HIS 106 2HB HIS 106 -5.067 19.643 7.248 907 HB3 HIS 106 3HB HIS 106 -5.235 17.955 6.781 908 HD1 HIS 106 HD1 HIS 106 -5.889 21.440 5.421 909 HD2 HIS 106 HD2 HIS 106 -5.335 17.558 4.045 910 HE1 HIS 106 HE1 HIS 106 -5.736 21.627 2.924 911 HE2 HIS 106 HE2 HIS 106 -5.564 19.255 2.112 912 H HIS 107 H HIS 107 -9.619 18.559 7.569 913 HA HIS 107 HA HIS 107 -9.829 16.314 5.677 914 HB2 HIS 107 2HB HIS 107 -10.660 16.177 8.603 915 HB3 HIS 107 3HB HIS 107 -11.348 15.106 7.388 916 HD1 HIS 107 HD1 HIS 107 -8.614 15.312 9.724 917 HD2 HIS 107 HD2 HIS 107 -9.219 13.514 6.032 918 HE1 HIS 107 HE1 HIS 107 -6.803 13.594 9.509 919 HE2 HIS 107 HE2 HIS 107 -7.362 12.351 7.401 920 H HIS 108 H HIS 108 -10.996 17.456 4.266 921 HA HIS 108 HA HIS 108 -13.840 17.701 4.852 922 HB2 HIS 108 2HB HIS 108 -12.913 20.024 5.232 923 HB3 HIS 108 3HB HIS 108 -12.289 20.031 3.587 924 HD1 HIS 108 HD1 HIS 108 -15.535 20.100 5.516 925 HD2 HIS 108 HD2 HIS 108 -14.188 20.678 1.621 926 HE1 HIS 108 HE1 HIS 108 -17.483 21.060 4.259 927 HE2 HIS 108 HE2 HIS 108 -16.588 21.573 1.968 928 H HIS 109 H HIS 109 -14.651 16.381 3.312 929 HA HIS 109 HA HIS 109 -13.206 15.501 1.036 930 HB2 HIS 109 2HB HIS 109 -16.146 15.182 1.775 931 HB3 HIS 109 3HB HIS 109 -15.418 14.409 0.371 932 HD1 HIS 109 HD1 HIS 109 -14.934 12.024 0.844 933 HD2 HIS 109 HD2 HIS 109 -14.390 14.384 4.227 934 HE1 HIS 109 HE1 HIS 109 -14.248 10.444 2.673 935 HE2 HIS 109 HE2 HIS 109 -14.023 11.879 4.724 936 H HIS 110 H HIS 110 -12.915 16.500 -0.852 937 HA HIS 110 HA HIS 110 -14.804 18.568 -1.779 938 HB2 HIS 110 2HB HIS 110 -12.907 20.064 -2.360 939 HB3 HIS 110 3HB HIS 110 -13.016 19.763 -0.633 940 HD1 HIS 110 HD1 HIS 110 -11.135 18.195 0.407 941 HD2 HIS 110 HD2 HIS 110 -10.468 19.404 -3.511 942 HE1 HIS 110 HE1 HIS 110 -8.705 17.755 -0.030 943 HE2 HIS 110 HE2 HIS 110 -8.393 18.296 -2.461 Start of MODEL 17 1 H1 MET 1 1H MET 1 -11.230 -2.156 13.134 2 H2 MET 1 2H MET 1 -11.149 -0.764 14.088 3 H3 MET 1 3H MET 1 -9.738 -1.599 13.690 4 HA MET 1 HA MET 1 -11.516 -0.214 11.798 5 HB2 MET 1 2HB MET 1 -10.053 1.214 13.392 6 HB3 MET 1 3HB MET 1 -8.660 0.559 12.541 7 HG2 MET 1 2HG MET 1 -9.293 2.786 11.697 8 HG3 MET 1 3HG MET 1 -9.462 1.552 10.440 9 HE1 MET 1 3HE MET 1 -12.444 4.139 9.806 10 HE2 MET 1 1HE MET 1 -11.016 3.402 9.081 11 HE3 MET 1 2HE MET 1 -10.840 4.524 10.433 12 H LEU 2 H LEU 2 -11.186 -0.751 9.669 13 HA LEU 2 HA LEU 2 -9.551 -3.053 9.056 14 HB2 LEU 2 2HB LEU 2 -11.156 -1.240 7.206 15 HB3 LEU 2 3HB LEU 2 -10.462 -2.791 6.757 16 HG LEU 2 HG LEU 2 -12.690 -2.373 8.796 17 HD11 LEU 2 1HD1 LEU 2 -14.150 -3.485 7.167 18 HD12 LEU 2 2HD1 LEU 2 -12.827 -3.534 5.998 19 HD13 LEU 2 3HD1 LEU 2 -13.483 -1.982 6.528 20 HD21 LEU 2 3HD2 LEU 2 -11.290 -4.276 9.420 21 HD22 LEU 2 1HD2 LEU 2 -11.451 -4.961 7.800 22 HD23 LEU 2 2HD2 LEU 2 -12.863 -4.828 8.854 23 H LEU 3 H LEU 3 -7.362 -2.708 9.017 24 HA LEU 3 HA LEU 3 -6.278 -0.393 7.517 25 HB2 LEU 3 2HB LEU 3 -4.945 -2.053 9.689 26 HB3 LEU 3 3HB LEU 3 -4.253 -0.650 8.890 27 HG LEU 3 HG LEU 3 -6.629 -0.648 10.803 28 HD11 LEU 3 1HD1 LEU 3 -5.173 0.665 12.282 29 HD12 LEU 3 2HD1 LEU 3 -3.838 0.502 11.136 30 HD13 LEU 3 3HD1 LEU 3 -4.488 -0.926 11.948 31 HD21 LEU 3 3HD2 LEU 3 -6.633 1.790 10.579 32 HD22 LEU 3 1HD2 LEU 3 -6.972 1.014 9.033 33 HD23 LEU 3 2HD2 LEU 3 -5.372 1.699 9.349 34 H TYR 4 H TYR 4 -5.604 -0.975 5.546 35 HA TYR 4 HA TYR 4 -4.284 -3.599 5.120 36 HB2 TYR 4 2HB TYR 4 -6.099 -2.094 3.183 37 HB3 TYR 4 3HB TYR 4 -5.202 -3.557 2.791 38 HD1 TYR 4 HD1 TYR 4 -5.818 -5.745 3.925 39 HD2 TYR 4 HD2 TYR 4 -8.209 -2.228 4.375 40 HE1 TYR 4 HE1 TYR 4 -7.700 -7.111 4.732 41 HE2 TYR 4 HE2 TYR 4 -10.077 -3.595 5.177 42 HH TYR 4 HH TYR 4 -10.863 -5.898 5.029 43 H VAL 5 H VAL 5 -2.564 -3.619 3.709 44 HA VAL 5 HA VAL 5 -1.363 -1.030 2.902 45 HB VAL 5 HB VAL 5 0.069 -3.515 3.976 46 HG11 VAL 5 1HG1 VAL 5 1.430 -2.377 2.279 47 HG12 VAL 5 2HG1 VAL 5 2.139 -2.161 3.883 48 HG13 VAL 5 3HG1 VAL 5 1.230 -0.847 3.136 49 HG21 VAL 5 3HG2 VAL 5 -1.077 -2.283 5.785 50 HG22 VAL 5 1HG2 VAL 5 -0.282 -0.789 5.280 51 HG23 VAL 5 2HG2 VAL 5 0.676 -2.118 5.939 52 H LEU 6 H LEU 6 -1.078 -0.922 0.714 53 HA LEU 6 HA LEU 6 -0.792 -3.414 -0.900 54 HB2 LEU 6 2HB LEU 6 -1.832 -0.702 -1.844 55 HB3 LEU 6 3HB LEU 6 -1.796 -2.191 -2.776 56 HG LEU 6 HG LEU 6 -3.594 -1.566 -0.405 57 HD11 LEU 6 1HD1 LEU 6 -4.302 -0.489 -2.472 58 HD12 LEU 6 2HD1 LEU 6 -5.431 -1.760 -2.009 59 HD13 LEU 6 3HD1 LEU 6 -4.280 -2.039 -3.322 60 HD21 LEU 6 3HD2 LEU 6 -2.961 -3.901 -0.251 61 HD22 LEU 6 1HD2 LEU 6 -3.379 -4.170 -1.946 62 HD23 LEU 6 2HD2 LEU 6 -4.635 -3.768 -0.772 63 H ILE 7 H ILE 7 1.230 -3.597 -1.884 64 HA ILE 7 HA ILE 7 2.910 -1.143 -1.958 65 HB ILE 7 HB ILE 7 3.602 -2.678 -0.153 66 HG12 ILE 7 2HG1 ILE 7 5.734 -2.630 -2.328 67 HG13 ILE 7 3HG1 ILE 7 5.254 -1.201 -1.420 68 HG21 ILE 7 1HG2 ILE 7 2.921 -4.831 -1.102 69 HG22 ILE 7 2HG2 ILE 7 4.608 -4.864 -0.581 70 HG23 ILE 7 3HG2 ILE 7 4.220 -4.724 -2.296 71 HD11 ILE 7 3HD1 ILE 7 6.457 -3.704 -0.247 72 HD12 ILE 7 1HD1 ILE 7 5.989 -2.255 0.649 73 HD13 ILE 7 2HD1 ILE 7 7.289 -2.177 -0.539 74 H ILE 8 H ILE 8 3.266 -0.498 -3.959 75 HA ILE 8 HA ILE 8 3.557 -2.370 -6.208 76 HB ILE 8 HB ILE 8 3.542 0.680 -6.363 77 HG12 ILE 8 2HG1 ILE 8 1.112 -1.159 -6.468 78 HG13 ILE 8 3HG1 ILE 8 1.458 0.024 -5.218 79 HG21 ILE 8 1HG2 ILE 8 2.840 0.321 -8.703 80 HG22 ILE 8 2HG2 ILE 8 2.853 -1.427 -8.451 81 HG23 ILE 8 3HG2 ILE 8 4.361 -0.513 -8.366 82 HD11 ILE 8 3HD1 ILE 8 -0.247 0.823 -6.682 83 HD12 ILE 8 1HD1 ILE 8 0.786 0.602 -8.094 84 HD13 ILE 8 2HD1 ILE 8 1.197 1.809 -6.873 85 H SER 9 H SER 9 5.675 -3.126 -6.130 86 HA SER 9 HA SER 9 7.822 -1.226 -6.624 87 HB2 SER 9 2HB SER 9 7.747 -1.377 -4.129 88 HB3 SER 9 3HB SER 9 7.968 -3.121 -4.236 89 HG SER 9 HG SER 9 9.791 -1.058 -4.595 90 H ASN 10 H ASN 10 9.636 -2.129 -7.557 91 HA ASN 10 HA ASN 10 9.341 -4.640 -8.962 92 HB2 ASN 10 2HB ASN 10 10.326 -2.723 -10.126 93 HB3 ASN 10 3HB ASN 10 11.572 -2.557 -8.897 94 HD21 ASN 10 1HD2 ASN 10 13.359 -3.925 -8.962 95 HD22 ASN 10 2HD2 ASN 10 13.683 -4.979 -10.292 96 H ASP 11 H ASP 11 11.356 -3.276 -6.387 97 HA ASP 11 HA ASP 11 13.045 -5.561 -6.023 98 HB2 ASP 11 2HB ASP 11 12.560 -3.057 -4.374 99 HB3 ASP 11 3HB ASP 11 13.537 -4.374 -3.737 100 H LYS 12 H LYS 12 11.965 -7.380 -5.590 101 HA LYS 12 HA LYS 12 9.808 -7.746 -3.814 102 HB2 LYS 12 2HB LYS 12 11.938 -9.800 -4.561 103 HB3 LYS 12 3HB LYS 12 10.337 -10.151 -3.912 104 HG2 LYS 12 2HG LYS 12 10.957 -8.922 -6.616 105 HG3 LYS 12 3HG LYS 12 10.388 -10.566 -6.318 106 HD2 LYS 12 2HD LYS 12 8.235 -9.709 -5.500 107 HD3 LYS 12 3HD LYS 12 8.807 -8.044 -5.654 108 HE2 LYS 12 2HE LYS 12 8.974 -8.314 -8.092 109 HE3 LYS 12 3HE LYS 12 8.444 -9.995 -7.954 110 HZ1 LYS 12 3HZ LYS 12 6.358 -9.209 -7.031 111 HZ2 LYS 12 1HZ LYS 12 6.624 -8.552 -8.563 112 HZ3 LYS 12 2HZ LYS 12 6.866 -7.609 -7.186 113 H LYS 13 H LYS 13 13.252 -7.411 -3.244 114 HA LYS 13 HA LYS 13 13.360 -8.406 -0.573 115 HB2 LYS 13 2HB LYS 13 15.518 -7.153 -0.432 116 HB3 LYS 13 3HB LYS 13 15.416 -8.188 -1.848 117 HG2 LYS 13 2HG LYS 13 15.069 -6.293 -3.314 118 HG3 LYS 13 3HG LYS 13 14.879 -5.197 -1.944 119 HD2 LYS 13 2HD LYS 13 17.096 -4.936 -2.982 120 HD3 LYS 13 3HD LYS 13 17.241 -5.528 -1.327 121 HE2 LYS 13 2HE LYS 13 17.668 -7.798 -2.158 122 HE3 LYS 13 3HE LYS 13 17.429 -7.255 -3.820 123 HZ1 LYS 13 3HZ LYS 13 19.557 -6.264 -2.003 124 HZ2 LYS 13 1HZ LYS 13 19.352 -5.846 -3.629 125 HZ3 LYS 13 2HZ LYS 13 19.779 -7.426 -3.209 126 H LEU 14 H LEU 14 12.863 -5.149 -1.958 127 HA LEU 14 HA LEU 14 12.596 -3.678 0.421 128 HB2 LEU 14 2HB LEU 14 12.999 -2.704 -1.790 129 HB3 LEU 14 3HB LEU 14 11.435 -3.239 -2.358 130 HG LEU 14 HG LEU 14 11.551 -1.270 -0.055 131 HD11 LEU 14 1HD1 LEU 14 11.603 0.639 -1.594 132 HD12 LEU 14 2HD1 LEU 14 11.876 -0.450 -2.958 133 HD13 LEU 14 3HD1 LEU 14 13.094 -0.300 -1.687 134 HD21 LEU 14 3HD2 LEU 14 9.441 -0.431 -1.014 135 HD22 LEU 14 1HD2 LEU 14 9.343 -2.164 -0.703 136 HD23 LEU 14 2HD2 LEU 14 9.577 -1.577 -2.350 137 H ILE 15 H ILE 15 10.259 -5.443 -1.557 138 HA ILE 15 HA ILE 15 7.902 -4.831 -0.119 139 HB ILE 15 HB ILE 15 8.546 -7.208 -1.919 140 HG12 ILE 15 2HG1 ILE 15 7.003 -4.643 -2.530 141 HG13 ILE 15 3HG1 ILE 15 8.662 -4.957 -3.021 142 HG21 ILE 15 1HG2 ILE 15 5.832 -6.311 -0.886 143 HG22 ILE 15 2HG2 ILE 15 6.670 -7.800 -0.449 144 HG23 ILE 15 3HG2 ILE 15 6.095 -7.565 -2.100 145 HD11 ILE 15 3HD1 ILE 15 7.851 -6.854 -4.388 146 HD12 ILE 15 1HD1 ILE 15 7.203 -5.289 -4.878 147 HD13 ILE 15 2HD1 ILE 15 6.195 -6.410 -3.961 148 H GLU 16 H GLU 16 10.262 -7.476 0.150 149 HA GLU 16 HA GLU 16 8.870 -9.080 2.018 150 HB2 GLU 16 2HB GLU 16 11.813 -8.905 1.293 151 HB3 GLU 16 3HB GLU 16 11.245 -10.011 2.540 152 HG2 GLU 16 2HG GLU 16 10.167 -10.057 -0.292 153 HG3 GLU 16 3HG GLU 16 11.593 -10.970 0.194 154 H GLU 17 H GLU 17 11.536 -6.727 2.511 155 HA GLU 17 HA GLU 17 11.640 -6.850 5.308 156 HB2 GLU 17 2HB GLU 17 12.436 -4.655 3.362 157 HB3 GLU 17 3HB GLU 17 12.694 -4.497 5.100 158 HG2 GLU 17 2HG GLU 17 13.877 -6.618 3.285 159 HG3 GLU 17 3HG GLU 17 14.737 -5.261 4.014 160 H ALA 18 H ALA 18 9.669 -4.814 3.189 161 HA ALA 18 HA ALA 18 8.438 -3.190 5.153 162 HB1 ALA 18 3HB ALA 18 8.418 -2.664 2.744 163 HB2 ALA 18 1HB ALA 18 6.780 -2.707 3.397 164 HB3 ALA 18 2HB ALA 18 7.386 -4.063 2.440 165 H ARG 19 H ARG 19 7.461 -6.220 3.615 166 HA ARG 19 HA ARG 19 4.920 -6.534 4.778 167 HB2 ARG 19 2HB ARG 19 5.694 -7.664 2.702 168 HB3 ARG 19 3HB ARG 19 6.787 -8.661 3.657 169 HG2 ARG 19 2HG ARG 19 4.756 -9.591 4.844 170 HG3 ARG 19 3HG ARG 19 3.755 -8.701 3.691 171 HD2 ARG 19 2HD ARG 19 4.047 -11.060 3.005 172 HD3 ARG 19 3HD ARG 19 4.765 -9.950 1.831 173 HE ARG 19 HE ARG 19 6.866 -10.717 2.374 174 HH11 ARG 19 1HH1 ARG 19 4.580 -12.056 4.691 175 HH12 ARG 19 2HH1 ARG 19 5.726 -13.165 5.355 176 HH21 ARG 19 1HH2 ARG 19 8.348 -12.159 3.250 177 HH22 ARG 19 2HH2 ARG 19 7.874 -13.225 4.535 178 H LYS 20 H LYS 20 8.130 -7.588 5.803 179 HA LYS 20 HA LYS 20 7.425 -9.294 7.932 180 HB2 LYS 20 2HB LYS 20 9.880 -7.538 7.552 181 HB3 LYS 20 3HB LYS 20 9.729 -8.730 8.839 182 HG2 LYS 20 2HG LYS 20 9.604 -9.403 5.884 183 HG3 LYS 20 3HG LYS 20 11.077 -9.478 6.847 184 HD2 LYS 20 2HD LYS 20 8.559 -11.108 7.377 185 HD3 LYS 20 3HD LYS 20 9.990 -11.698 6.530 186 HE2 LYS 20 2HE LYS 20 9.868 -10.803 9.433 187 HE3 LYS 20 3HE LYS 20 10.021 -12.458 8.852 188 HZ1 LYS 20 3HZ LYS 20 12.033 -10.300 8.490 189 HZ2 LYS 20 1HZ LYS 20 12.175 -11.880 7.904 190 HZ3 LYS 20 2HZ LYS 20 12.139 -11.596 9.569 191 H MET 21 H MET 21 7.926 -5.774 7.803 192 HA MET 21 HA MET 21 7.381 -5.250 10.543 193 HB2 MET 21 2HB MET 21 7.472 -3.515 8.068 194 HB3 MET 21 3HB MET 21 6.882 -2.848 9.587 195 HG2 MET 21 2HG MET 21 9.619 -4.047 9.111 196 HG3 MET 21 3HG MET 21 9.239 -2.336 9.311 197 HE1 MET 21 3HE MET 21 7.955 -2.342 13.083 198 HE2 MET 21 1HE MET 21 6.964 -2.611 11.647 199 HE3 MET 21 2HE MET 21 8.193 -1.343 11.650 200 H ALA 22 H ALA 22 5.323 -5.441 7.660 201 HA ALA 22 HA ALA 22 2.937 -4.479 8.809 202 HB1 ALA 22 3HB ALA 22 1.808 -5.527 6.892 203 HB2 ALA 22 1HB ALA 22 3.274 -6.441 6.513 204 HB3 ALA 22 2HB ALA 22 3.270 -4.681 6.382 205 H GLU 23 H GLU 23 4.323 -7.736 8.668 206 HA GLU 23 HA GLU 23 2.157 -9.156 9.809 207 HB2 GLU 23 2HB GLU 23 5.124 -9.796 9.734 208 HB3 GLU 23 3HB GLU 23 3.885 -10.938 10.252 209 HG2 GLU 23 2HG GLU 23 2.891 -10.959 8.034 210 HG3 GLU 23 3HG GLU 23 3.973 -9.677 7.492 211 H LYS 24 H LYS 24 5.057 -7.664 11.225 212 HA LYS 24 HA LYS 24 4.529 -8.402 13.935 213 HB2 LYS 24 2HB LYS 24 6.288 -6.184 12.809 214 HB3 LYS 24 3HB LYS 24 6.290 -6.714 14.490 215 HG2 LYS 24 2HG LYS 24 7.050 -8.960 13.783 216 HG3 LYS 24 3HG LYS 24 7.046 -8.433 12.103 217 HD2 LYS 24 2HD LYS 24 9.318 -8.308 12.750 218 HD3 LYS 24 3HD LYS 24 8.756 -6.640 12.824 219 HE2 LYS 24 2HE LYS 24 8.962 -8.471 15.240 220 HE3 LYS 24 3HE LYS 24 10.229 -7.356 14.743 221 HZ1 LYS 24 3HZ LYS 24 7.484 -6.608 15.586 222 HZ2 LYS 24 1HZ LYS 24 8.672 -5.525 15.067 223 HZ3 LYS 24 2HZ LYS 24 8.895 -6.411 16.488 224 H ALA 25 H ALA 25 3.491 -5.774 11.880 225 HA ALA 25 HA ALA 25 2.340 -4.206 14.054 226 HB1 ALA 25 3HB ALA 25 3.441 -3.040 12.190 227 HB2 ALA 25 1HB ALA 25 1.731 -2.615 12.272 228 HB3 ALA 25 2HB ALA 25 2.299 -3.751 11.046 229 H ASN 26 H ASN 26 1.359 -6.921 12.331 230 HA ASN 26 HA ASN 26 -0.570 -8.099 12.187 231 HB2 ASN 26 2HB ASN 26 -0.736 -7.521 14.611 232 HB3 ASN 26 3HB ASN 26 -1.610 -6.059 14.207 233 HD21 ASN 26 1HD2 ASN 26 -1.785 -9.573 14.255 234 HD22 ASN 26 2HD2 ASN 26 -3.512 -9.658 14.291 235 H LEU 27 H LEU 27 -0.018 -5.863 10.391 236 HA LEU 27 HA LEU 27 -2.682 -5.104 9.376 237 HB2 LEU 27 2HB LEU 27 0.061 -4.200 8.390 238 HB3 LEU 27 3HB LEU 27 -1.494 -3.512 7.946 239 HG LEU 27 HG LEU 27 -0.140 -3.309 10.669 240 HD11 LEU 27 1HD1 LEU 27 0.885 -1.859 9.019 241 HD12 LEU 27 2HD1 LEU 27 -0.015 -0.898 10.189 242 HD13 LEU 27 3HD1 LEU 27 -0.685 -1.181 8.578 243 HD21 LEU 27 3HD2 LEU 27 -2.853 -2.244 9.821 244 HD22 LEU 27 1HD2 LEU 27 -2.012 -1.822 11.318 245 HD23 LEU 27 2HD2 LEU 27 -2.526 -3.482 11.037 246 H GLU 28 H GLU 28 -3.377 -5.771 7.321 247 HA GLU 28 HA GLU 28 -2.104 -8.151 6.203 248 HB2 GLU 28 2HB GLU 28 -4.727 -6.729 5.518 249 HB3 GLU 28 3HB GLU 28 -4.139 -8.154 4.669 250 HG2 GLU 28 2HG GLU 28 -5.786 -8.895 6.237 251 HG3 GLU 28 3HG GLU 28 -4.215 -9.411 6.839 252 H LEU 29 H LEU 29 -0.583 -7.921 4.674 253 HA LEU 29 HA LEU 29 -0.531 -5.521 2.950 254 HB2 LEU 29 2HB LEU 29 1.481 -5.826 4.341 255 HB3 LEU 29 3HB LEU 29 1.746 -7.412 3.650 256 HG LEU 29 HG LEU 29 1.674 -5.091 1.719 257 HD11 LEU 29 1HD1 LEU 29 4.077 -5.551 3.494 258 HD12 LEU 29 2HD1 LEU 29 3.013 -4.146 3.529 259 HD13 LEU 29 3HD1 LEU 29 3.998 -4.464 2.104 260 HD21 LEU 29 3HD2 LEU 29 3.457 -7.552 1.879 261 HD22 LEU 29 1HD2 LEU 29 3.479 -6.350 0.583 262 HD23 LEU 29 2HD2 LEU 29 2.050 -7.348 0.835 263 H ARG 30 H ARG 30 -0.661 -5.744 0.786 264 HA ARG 30 HA ARG 30 -0.878 -8.430 -0.445 265 HB2 ARG 30 2HB ARG 30 -2.472 -5.931 -1.175 266 HB3 ARG 30 3HB ARG 30 -2.638 -7.515 -1.917 267 HG2 ARG 30 2HG ARG 30 -3.311 -6.880 0.979 268 HG3 ARG 30 3HG ARG 30 -4.486 -6.937 -0.337 269 HD2 ARG 30 2HD ARG 30 -2.780 -9.264 0.617 270 HD3 ARG 30 3HD ARG 30 -4.492 -9.018 0.983 271 HE ARG 30 HE ARG 30 -4.518 -8.992 -1.699 272 HH11 ARG 30 1HH1 ARG 30 -3.092 -11.293 0.542 273 HH12 ARG 30 2HH1 ARG 30 -3.269 -12.634 -0.541 274 HH21 ARG 30 1HH2 ARG 30 -4.735 -10.761 -3.110 275 HH22 ARG 30 2HH2 ARG 30 -4.200 -12.334 -2.607 276 H THR 31 H THR 31 0.446 -8.679 -2.198 277 HA THR 31 HA THR 31 2.299 -6.531 -2.863 278 HB THR 31 HB THR 31 3.508 -8.322 -4.164 279 HG1 THR 31 HG1 THR 31 1.967 -9.761 -4.755 280 HG21 THR 31 3HG2 THR 31 4.309 -9.552 -2.211 281 HG22 THR 31 1HG2 THR 31 2.841 -9.171 -1.313 282 HG23 THR 31 2HG2 THR 31 3.977 -7.879 -1.728 283 H VAL 32 H VAL 32 1.787 -5.152 -4.416 284 HA VAL 32 HA VAL 32 -0.183 -5.772 -6.462 285 HB VAL 32 HB VAL 32 1.449 -3.227 -6.058 286 HG11 VAL 32 1HG1 VAL 32 0.439 -3.378 -8.284 287 HG12 VAL 32 2HG1 VAL 32 -0.358 -2.125 -7.332 288 HG13 VAL 32 3HG1 VAL 32 -1.146 -3.687 -7.568 289 HG21 VAL 32 3HG2 VAL 32 -1.308 -3.848 -4.929 290 HG22 VAL 32 1HG2 VAL 32 -0.457 -2.306 -4.805 291 HG23 VAL 32 2HG2 VAL 32 0.187 -3.736 -3.996 292 H LYS 33 H LYS 33 0.525 -6.908 -8.134 293 HA LYS 33 HA LYS 33 3.291 -7.045 -8.989 294 HB2 LYS 33 2HB LYS 33 0.810 -8.343 -10.202 295 HB3 LYS 33 3HB LYS 33 2.484 -8.819 -10.488 296 HG2 LYS 33 2HG LYS 33 2.717 -9.628 -8.213 297 HG3 LYS 33 3HG LYS 33 1.156 -8.942 -7.758 298 HD2 LYS 33 2HD LYS 33 0.930 -11.347 -8.034 299 HD3 LYS 33 3HD LYS 33 0.020 -10.520 -9.300 300 HE2 LYS 33 2HE LYS 33 1.236 -12.495 -10.141 301 HE3 LYS 33 3HE LYS 33 1.796 -11.018 -10.923 302 HZ1 LYS 33 3HZ LYS 33 3.717 -11.019 -9.521 303 HZ2 LYS 33 1HZ LYS 33 3.594 -12.533 -10.258 304 HZ3 LYS 33 2HZ LYS 33 3.154 -12.342 -8.636 305 H THR 34 H THR 34 0.182 -6.127 -10.428 306 HA THR 34 HA THR 34 1.509 -4.240 -12.301 307 HB THR 34 HB THR 34 -0.347 -4.694 -13.918 308 HG1 THR 34 HG1 THR 34 -1.668 -6.613 -13.479 309 HG21 THR 34 3HG2 THR 34 1.735 -5.987 -14.220 310 HG22 THR 34 1HG2 THR 34 0.330 -6.952 -14.674 311 HG23 THR 34 2HG2 THR 34 1.129 -7.233 -13.125 312 H GLU 35 H GLU 35 -0.115 -2.522 -12.991 313 HA GLU 35 HA GLU 35 -1.297 -1.128 -10.872 314 HB2 GLU 35 2HB GLU 35 -2.368 0.251 -12.662 315 HB3 GLU 35 3HB GLU 35 -0.651 -0.023 -12.950 316 HG2 GLU 35 2HG GLU 35 -1.274 -1.878 -14.533 317 HG3 GLU 35 3HG GLU 35 -2.966 -1.428 -14.331 318 H ASP 36 H ASP 36 -2.636 -3.560 -13.050 319 HA ASP 36 HA ASP 36 -5.374 -3.263 -12.357 320 HB2 ASP 36 2HB ASP 36 -3.847 -5.527 -13.696 321 HB3 ASP 36 3HB ASP 36 -5.592 -5.586 -13.430 322 H GLU 37 H GLU 37 -2.739 -5.065 -10.850 323 HA GLU 37 HA GLU 37 -4.331 -6.603 -9.049 324 HB2 GLU 37 2HB GLU 37 -1.485 -5.544 -8.781 325 HB3 GLU 37 3HB GLU 37 -2.237 -6.567 -7.559 326 HG2 GLU 37 2HG GLU 37 -1.786 -7.346 -10.452 327 HG3 GLU 37 3HG GLU 37 -0.758 -7.812 -9.098 328 H LEU 38 H LEU 38 -3.042 -3.307 -8.954 329 HA LEU 38 HA LEU 38 -3.682 -2.625 -6.283 330 HB2 LEU 38 2HB LEU 38 -2.146 -1.422 -7.994 331 HB3 LEU 38 3HB LEU 38 -3.596 -0.696 -8.639 332 HG LEU 38 HG LEU 38 -2.241 0.779 -7.099 333 HD11 LEU 38 1HD1 LEU 38 -5.062 0.319 -6.109 334 HD12 LEU 38 2HD1 LEU 38 -4.598 1.319 -7.487 335 HD13 LEU 38 3HD1 LEU 38 -4.078 1.766 -5.865 336 HD21 LEU 38 3HD2 LEU 38 -3.178 -1.103 -4.915 337 HD22 LEU 38 1HD2 LEU 38 -2.309 0.417 -4.683 338 HD23 LEU 38 2HD2 LEU 38 -1.522 -0.928 -5.502 339 H LYS 39 H LYS 39 -5.375 -2.070 -9.353 340 HA LYS 39 HA LYS 39 -7.769 -0.931 -8.466 341 HB2 LYS 39 2HB LYS 39 -7.220 -2.719 -10.870 342 HB3 LYS 39 3HB LYS 39 -8.673 -1.743 -10.668 343 HG2 LYS 39 2HG LYS 39 -7.484 0.300 -10.917 344 HG3 LYS 39 3HG LYS 39 -5.924 -0.479 -10.659 345 HD2 LYS 39 2HD LYS 39 -6.231 0.108 -13.036 346 HD3 LYS 39 3HD LYS 39 -6.113 -1.639 -12.821 347 HE2 LYS 39 2HE LYS 39 -8.618 -1.766 -12.952 348 HE3 LYS 39 3HE LYS 39 -8.650 -0.036 -13.294 349 HZ1 LYS 39 3HZ LYS 39 -8.785 -1.352 -15.307 350 HZ2 LYS 39 1HZ LYS 39 -7.305 -2.096 -14.960 351 HZ3 LYS 39 2HZ LYS 39 -7.363 -0.438 -15.289 352 H LYS 40 H LYS 40 -6.917 -4.335 -9.040 353 HA LYS 40 HA LYS 40 -9.335 -5.628 -8.531 354 HB2 LYS 40 2HB LYS 40 -7.440 -6.771 -9.556 355 HB3 LYS 40 3HB LYS 40 -6.456 -6.518 -8.123 356 HG2 LYS 40 2HG LYS 40 -7.969 -8.058 -6.858 357 HG3 LYS 40 3HG LYS 40 -8.856 -8.362 -8.354 358 HD2 LYS 40 2HD LYS 40 -5.893 -8.941 -7.945 359 HD3 LYS 40 3HD LYS 40 -7.177 -10.142 -7.802 360 HE2 LYS 40 2HE LYS 40 -7.768 -9.743 -10.194 361 HE3 LYS 40 3HE LYS 40 -6.415 -8.616 -10.318 362 HZ1 LYS 40 3HZ LYS 40 -5.811 -10.782 -11.149 363 HZ2 LYS 40 1HZ LYS 40 -6.214 -11.514 -9.681 364 HZ3 LYS 40 2HZ LYS 40 -4.915 -10.436 -9.761 365 H TYR 41 H TYR 41 -6.768 -4.633 -6.329 366 HA TYR 41 HA TYR 41 -7.800 -5.855 -3.968 367 HB2 TYR 41 2HB TYR 41 -5.802 -3.576 -4.269 368 HB3 TYR 41 3HB TYR 41 -6.170 -4.375 -2.741 369 HD1 TYR 41 HD1 TYR 41 -6.348 -7.242 -3.859 370 HD2 TYR 41 HD2 TYR 41 -3.450 -4.143 -4.402 371 HE1 TYR 41 HE1 TYR 41 -4.635 -8.930 -4.309 372 HE2 TYR 41 HE2 TYR 41 -1.737 -5.842 -4.862 373 HH TYR 41 HH TYR 41 -2.456 -9.012 -5.573 374 H LEU 42 H LEU 42 -8.008 -2.562 -5.338 375 HA LEU 42 HA LEU 42 -9.465 -1.395 -3.203 376 HB2 LEU 42 2HB LEU 42 -9.342 -0.620 -6.135 377 HB3 LEU 42 3HB LEU 42 -10.075 0.362 -4.877 378 HG LEU 42 HG LEU 42 -7.127 -0.356 -5.061 379 HD11 LEU 42 1HD1 LEU 42 -6.795 2.023 -5.543 380 HD12 LEU 42 2HD1 LEU 42 -8.541 2.282 -5.532 381 HD13 LEU 42 3HD1 LEU 42 -7.807 1.248 -6.762 382 HD21 LEU 42 3HD2 LEU 42 -6.806 1.210 -3.172 383 HD22 LEU 42 1HD2 LEU 42 -7.794 -0.177 -2.710 384 HD23 LEU 42 2HD2 LEU 42 -8.556 1.387 -3.014 385 H GLU 43 H GLU 43 -10.598 -2.940 -6.232 386 HA GLU 43 HA GLU 43 -13.375 -2.550 -5.910 387 HB2 GLU 43 2HB GLU 43 -11.847 -4.739 -7.384 388 HB3 GLU 43 3HB GLU 43 -13.589 -4.489 -7.529 389 HG2 GLU 43 2HG GLU 43 -13.265 -2.305 -8.513 390 HG3 GLU 43 3HG GLU 43 -11.534 -2.364 -8.195 391 H GLU 44 H GLU 44 -11.196 -5.074 -4.788 392 HA GLU 44 HA GLU 44 -13.053 -6.782 -3.513 393 HB2 GLU 44 2HB GLU 44 -10.627 -7.318 -4.058 394 HB3 GLU 44 3HB GLU 44 -10.146 -6.251 -2.749 395 HG2 GLU 44 2HG GLU 44 -10.019 -8.551 -1.999 396 HG3 GLU 44 3HG GLU 44 -11.321 -7.729 -1.130 397 H PHE 45 H PHE 45 -11.269 -3.897 -2.467 398 HA PHE 45 HA PHE 45 -12.166 -3.958 0.266 399 HB2 PHE 45 2HB PHE 45 -10.650 -1.856 -1.328 400 HB3 PHE 45 3HB PHE 45 -10.988 -1.718 0.392 401 HD1 PHE 45 HD2 PHE 45 -10.464 -4.961 0.658 402 HD2 PHE 45 HD1 PHE 45 -8.229 -1.577 -0.753 403 HE1 PHE 45 HE2 PHE 45 -8.360 -6.144 1.117 404 HE2 PHE 45 HE1 PHE 45 -6.144 -2.780 -0.281 405 HZ PHE 45 HZ PHE 45 -6.202 -5.056 0.648 406 H ARG 46 H ARG 46 -13.668 -2.878 -2.588 407 HA ARG 46 HA ARG 46 -15.027 -0.562 -1.638 408 HB2 ARG 46 2HB ARG 46 -15.502 -2.445 -3.965 409 HB3 ARG 46 3HB ARG 46 -16.717 -1.243 -3.556 410 HG2 ARG 46 2HG ARG 46 -14.922 0.526 -3.795 411 HG3 ARG 46 3HG ARG 46 -13.869 -0.729 -4.459 412 HD2 ARG 46 2HD ARG 46 -15.057 0.616 -6.221 413 HD3 ARG 46 3HD ARG 46 -15.407 -1.114 -6.308 414 HE ARG 46 HE ARG 46 -17.379 0.052 -4.703 415 HH11 ARG 46 1HH1 ARG 46 -16.430 0.198 -8.086 416 HH12 ARG 46 2HH1 ARG 46 -18.037 0.566 -8.631 417 HH21 ARG 46 1HH2 ARG 46 -19.461 0.492 -5.437 418 HH22 ARG 46 2HH2 ARG 46 -19.753 0.733 -7.131 419 H LYS 47 H LYS 47 -15.946 -4.007 -1.772 420 HA LYS 47 HA LYS 47 -18.636 -3.728 -0.913 421 HB2 LYS 47 2HB LYS 47 -18.615 -6.153 -0.663 422 HB3 LYS 47 3HB LYS 47 -17.699 -5.720 -2.102 423 HG2 LYS 47 2HG LYS 47 -15.584 -5.925 -0.675 424 HG3 LYS 47 3HG LYS 47 -16.604 -6.630 0.580 425 HD2 LYS 47 2HD LYS 47 -15.510 -8.396 -0.709 426 HD3 LYS 47 3HD LYS 47 -17.254 -8.447 -0.978 427 HE2 LYS 47 2HE LYS 47 -16.982 -7.344 -3.149 428 HE3 LYS 47 3HE LYS 47 -15.253 -7.143 -2.859 429 HZ1 LYS 47 3HZ LYS 47 -15.784 -9.017 -4.319 430 HZ2 LYS 47 1HZ LYS 47 -16.629 -9.760 -3.055 431 HZ3 LYS 47 2HZ LYS 47 -14.963 -9.499 -2.921 432 H GLU 48 H GLU 48 -15.671 -3.661 0.792 433 HA GLU 48 HA GLU 48 -16.940 -3.936 3.468 434 HB2 GLU 48 2HB GLU 48 -14.693 -4.806 4.197 435 HB3 GLU 48 3HB GLU 48 -15.472 -5.845 3.005 436 HG2 GLU 48 2HG GLU 48 -14.078 -4.760 1.222 437 HG3 GLU 48 3HG GLU 48 -13.230 -3.860 2.478 438 H SER 49 H SER 49 -16.537 -1.526 1.707 439 HA SER 49 HA SER 49 -14.338 -0.015 2.721 440 HB2 SER 49 2HB SER 49 -15.381 1.896 1.516 441 HB3 SER 49 3HB SER 49 -15.247 0.460 0.506 442 HG SER 49 HG SER 49 -17.308 0.529 0.258 443 H GLN 50 H GLN 50 -17.104 -0.905 4.301 444 HA GLN 50 HA GLN 50 -17.812 1.244 5.937 445 HB2 GLN 50 2HB GLN 50 -18.511 -0.576 7.571 446 HB3 GLN 50 3HB GLN 50 -19.165 -0.742 5.947 447 HG2 GLN 50 2HG GLN 50 -17.504 -2.482 5.423 448 HG3 GLN 50 3HG GLN 50 -16.787 -2.312 7.020 449 HE21 GLN 50 1HE2 GLN 50 -17.942 -3.104 8.841 450 HE22 GLN 50 2HE2 GLN 50 -19.231 -4.240 8.656 451 H ASN 51 H ASN 51 -15.977 2.439 6.413 452 HA ASN 51 HA ASN 51 -14.333 3.287 7.684 453 HB2 ASN 51 2HB ASN 51 -15.137 1.078 9.615 454 HB3 ASN 51 3HB ASN 51 -14.022 2.379 10.022 455 HD21 ASN 51 1HD2 ASN 51 -17.357 1.575 9.325 456 HD22 ASN 51 2HD2 ASN 51 -18.028 3.065 9.892 457 H ILE 52 H ILE 52 -13.093 2.489 5.841 458 HA ILE 52 HA ILE 52 -11.030 0.492 6.569 459 HB ILE 52 HB ILE 52 -12.577 -0.256 4.727 460 HG12 ILE 52 2HG1 ILE 52 -9.705 0.141 3.782 461 HG13 ILE 52 3HG1 ILE 52 -10.212 -1.092 4.933 462 HG21 ILE 52 1HG2 ILE 52 -12.427 0.765 2.486 463 HG22 ILE 52 2HG2 ILE 52 -11.362 2.020 3.117 464 HG23 ILE 52 3HG2 ILE 52 -13.035 1.925 3.672 465 HD11 ILE 52 3HD1 ILE 52 -11.645 -2.090 3.227 466 HD12 ILE 52 1HD1 ILE 52 -9.953 -2.030 2.738 467 HD13 ILE 52 2HD1 ILE 52 -11.102 -0.873 2.065 468 H LYS 53 H LYS 53 -8.878 1.010 6.119 469 HA LYS 53 HA LYS 53 -8.192 3.605 4.926 470 HB2 LYS 53 2HB LYS 53 -6.721 2.694 7.428 471 HB3 LYS 53 3HB LYS 53 -6.834 4.309 6.731 472 HG2 LYS 53 2HG LYS 53 -9.315 4.251 7.427 473 HG3 LYS 53 3HG LYS 53 -8.897 2.820 8.369 474 HD2 LYS 53 2HD LYS 53 -8.848 4.706 9.846 475 HD3 LYS 53 3HD LYS 53 -7.175 4.213 9.570 476 HE2 LYS 53 2HE LYS 53 -7.470 6.676 9.502 477 HE3 LYS 53 3HE LYS 53 -6.875 6.036 7.970 478 HZ1 LYS 53 3HZ LYS 53 -8.650 7.695 7.720 479 HZ2 LYS 53 1HZ LYS 53 -9.720 6.672 8.531 480 HZ3 LYS 53 2HZ LYS 53 -9.061 6.204 7.044 481 H VAL 54 H VAL 54 -6.804 3.177 3.374 482 HA VAL 54 HA VAL 54 -5.107 0.747 3.441 483 HB VAL 54 HB VAL 54 -6.205 2.240 1.019 484 HG11 VAL 54 1HG1 VAL 54 -5.299 0.378 -0.332 485 HG12 VAL 54 2HG1 VAL 54 -4.593 -0.324 1.125 486 HG13 VAL 54 3HG1 VAL 54 -4.017 1.235 0.534 487 HG21 VAL 54 3HG2 VAL 54 -7.631 0.242 0.639 488 HG22 VAL 54 1HG2 VAL 54 -7.998 1.016 2.187 489 HG23 VAL 54 2HG2 VAL 54 -7.032 -0.461 2.142 490 H LEU 55 H LEU 55 -2.945 1.033 3.191 491 HA LEU 55 HA LEU 55 -1.838 3.709 2.560 492 HB2 LEU 55 2HB LEU 55 -1.332 2.904 4.854 493 HB3 LEU 55 3HB LEU 55 -0.658 1.427 4.188 494 HG LEU 55 HG LEU 55 1.124 2.843 3.040 495 HD11 LEU 55 1HD1 LEU 55 0.063 5.073 4.792 496 HD12 LEU 55 2HD1 LEU 55 -0.011 4.996 3.029 497 HD13 LEU 55 3HD1 LEU 55 1.550 5.110 3.839 498 HD21 LEU 55 3HD2 LEU 55 1.599 1.591 5.080 499 HD22 LEU 55 1HD2 LEU 55 1.075 2.962 6.062 500 HD23 LEU 55 2HD2 LEU 55 2.503 3.103 5.033 501 H ILE 56 H ILE 56 -1.103 3.732 0.483 502 HA ILE 56 HA ILE 56 -0.172 1.215 -0.770 503 HB ILE 56 HB ILE 56 -1.103 3.796 -2.110 504 HG12 ILE 56 2HG1 ILE 56 -2.401 1.033 -2.020 505 HG13 ILE 56 3HG1 ILE 56 -2.947 2.437 -1.114 506 HG21 ILE 56 1HG2 ILE 56 -0.168 1.198 -3.397 507 HG22 ILE 56 2HG2 ILE 56 0.686 2.741 -3.445 508 HG23 ILE 56 3HG2 ILE 56 -0.867 2.567 -4.264 509 HD11 ILE 56 3HD1 ILE 56 -4.346 2.026 -3.044 510 HD12 ILE 56 1HD1 ILE 56 -2.956 2.166 -4.120 511 HD13 ILE 56 2HD1 ILE 56 -3.509 3.569 -3.200 512 H LEU 57 H LEU 57 1.988 0.976 -0.839 513 HA LEU 57 HA LEU 57 3.782 3.326 -0.790 514 HB2 LEU 57 2HB LEU 57 4.437 0.405 -0.187 515 HB3 LEU 57 3HB LEU 57 5.573 1.737 -0.109 516 HG LEU 57 HG LEU 57 5.048 1.258 2.146 517 HD11 LEU 57 1HD1 LEU 57 3.281 3.602 1.421 518 HD12 LEU 57 2HD1 LEU 57 5.022 3.647 1.712 519 HD13 LEU 57 3HD1 LEU 57 3.925 3.227 3.023 520 HD21 LEU 57 3HD2 LEU 57 2.096 1.216 1.473 521 HD22 LEU 57 1HD2 LEU 57 2.808 0.979 3.075 522 HD23 LEU 57 2HD2 LEU 57 3.116 -0.189 1.791 523 H VAL 58 H VAL 58 4.397 3.899 -2.786 524 HA VAL 58 HA VAL 58 4.821 1.848 -4.886 525 HB VAL 58 HB VAL 58 4.535 3.665 -6.524 526 HG11 VAL 58 1HG1 VAL 58 2.276 3.697 -4.481 527 HG12 VAL 58 2HG1 VAL 58 2.496 2.511 -5.768 528 HG13 VAL 58 3HG1 VAL 58 2.149 4.191 -6.174 529 HG21 VAL 58 3HG2 VAL 58 3.927 5.954 -5.862 530 HG22 VAL 58 1HG2 VAL 58 5.509 5.522 -5.218 531 HG23 VAL 58 2HG2 VAL 58 4.098 5.531 -4.157 532 H SER 59 H SER 59 6.689 2.306 -6.355 533 HA SER 59 HA SER 59 8.917 3.759 -5.024 534 HB2 SER 59 2HB SER 59 9.057 1.417 -6.964 535 HB3 SER 59 3HB SER 59 10.445 2.233 -6.239 536 HG SER 59 HG SER 59 9.109 1.628 -4.184 537 H ASN 60 H ASN 60 6.699 4.499 -7.111 538 HA ASN 60 HA ASN 60 8.439 6.008 -8.967 539 HB2 ASN 60 2HB ASN 60 6.033 4.295 -9.781 540 HB3 ASN 60 3HB ASN 60 6.771 5.495 -10.838 541 HD21 ASN 60 1HD2 ASN 60 6.483 2.605 -11.189 542 HD22 ASN 60 2HD2 ASN 60 8.082 2.000 -11.442 543 H ASP 61 H ASP 61 7.774 8.109 -9.229 544 HA ASP 61 HA ASP 61 5.615 9.263 -7.799 545 HB2 ASP 61 2HB ASP 61 7.277 10.336 -10.125 546 HB3 ASP 61 3HB ASP 61 6.078 11.310 -9.279 547 H GLU 62 H GLU 62 5.818 7.956 -11.044 548 HA GLU 62 HA GLU 62 3.386 9.021 -12.082 549 HB2 GLU 62 2HB GLU 62 5.245 8.131 -13.491 550 HB3 GLU 62 3HB GLU 62 4.889 6.504 -12.919 551 HG2 GLU 62 2HG GLU 62 2.666 6.599 -13.978 552 HG3 GLU 62 3HG GLU 62 2.971 8.253 -14.508 553 H GLU 63 H GLU 63 4.277 5.954 -10.504 554 HA GLU 63 HA GLU 63 1.629 4.895 -10.430 555 HB2 GLU 63 2HB GLU 63 4.144 4.013 -8.989 556 HB3 GLU 63 3HB GLU 63 2.598 3.180 -8.841 557 HG2 GLU 63 2HG GLU 63 4.296 3.473 -11.337 558 HG3 GLU 63 3HG GLU 63 3.893 1.990 -10.475 559 H LEU 64 H LEU 64 3.470 6.932 -8.232 560 HA LEU 64 HA LEU 64 1.872 6.909 -5.951 561 HB2 LEU 64 2HB LEU 64 4.020 8.181 -6.244 562 HB3 LEU 64 3HB LEU 64 3.180 9.323 -7.277 563 HG LEU 64 HG LEU 64 1.696 9.895 -5.262 564 HD11 LEU 64 1HD1 LEU 64 3.797 8.348 -3.725 565 HD12 LEU 64 2HD1 LEU 64 2.116 7.869 -3.949 566 HD13 LEU 64 3HD1 LEU 64 2.497 9.321 -3.032 567 HD21 LEU 64 3HD2 LEU 64 3.360 11.372 -4.215 568 HD22 LEU 64 1HD2 LEU 64 3.503 11.386 -5.972 569 HD23 LEU 64 2HD2 LEU 64 4.663 10.477 -5.002 570 H ASP 65 H ASP 65 1.611 9.129 -8.757 571 HA ASP 65 HA ASP 65 -0.866 10.284 -8.001 572 HB2 ASP 65 2HB ASP 65 0.903 11.306 -9.549 573 HB3 ASP 65 3HB ASP 65 0.274 10.269 -10.827 574 H LYS 66 H LYS 66 0.006 7.539 -9.973 575 HA LYS 66 HA LYS 66 -2.352 6.861 -11.326 576 HB2 LYS 66 2HB LYS 66 -0.062 5.804 -11.551 577 HB3 LYS 66 3HB LYS 66 -0.311 5.009 -10.012 578 HG2 LYS 66 2HG LYS 66 -0.726 3.334 -11.563 579 HG3 LYS 66 3HG LYS 66 -2.350 3.884 -11.131 580 HD2 LYS 66 2HD LYS 66 -2.709 4.902 -13.210 581 HD3 LYS 66 3HD LYS 66 -0.990 5.160 -13.502 582 HE2 LYS 66 2HE LYS 66 -2.418 2.496 -13.625 583 HE3 LYS 66 3HE LYS 66 -1.912 3.462 -15.010 584 HZ1 LYS 66 3HZ LYS 66 0.405 3.221 -14.221 585 HZ2 LYS 66 1HZ LYS 66 -0.315 1.745 -14.623 586 HZ3 LYS 66 2HZ LYS 66 -0.129 2.185 -12.999 587 H ALA 67 H ALA 67 -1.162 5.820 -8.136 588 HA ALA 67 HA ALA 67 -3.408 4.212 -7.461 589 HB1 ALA 67 3HB ALA 67 -1.189 5.310 -5.713 590 HB2 ALA 67 1HB ALA 67 -1.176 3.768 -6.572 591 HB3 ALA 67 2HB ALA 67 -2.324 4.034 -5.259 592 H LYS 68 H LYS 68 -2.544 7.604 -6.887 593 HA LYS 68 HA LYS 68 -4.586 8.212 -5.004 594 HB2 LYS 68 2HB LYS 68 -3.213 10.043 -7.028 595 HB3 LYS 68 3HB LYS 68 -4.274 10.603 -5.736 596 HG2 LYS 68 2HG LYS 68 -2.663 9.443 -4.113 597 HG3 LYS 68 3HG LYS 68 -1.557 9.291 -5.472 598 HD2 LYS 68 2HD LYS 68 -2.628 11.908 -4.346 599 HD3 LYS 68 3HD LYS 68 -1.043 11.225 -4.000 600 HE2 LYS 68 2HE LYS 68 -0.593 12.852 -5.630 601 HE3 LYS 68 3HE LYS 68 -0.650 11.364 -6.569 602 HZ1 LYS 68 3HZ LYS 68 -2.897 11.918 -7.241 603 HZ2 LYS 68 1HZ LYS 68 -1.842 13.178 -7.635 604 HZ3 LYS 68 2HZ LYS 68 -2.868 13.319 -6.300 605 H GLU 69 H GLU 69 -4.526 8.321 -8.583 606 HA GLU 69 HA GLU 69 -7.107 9.382 -9.052 607 HB2 GLU 69 2HB GLU 69 -5.495 7.429 -10.754 608 HB3 GLU 69 3HB GLU 69 -6.951 8.254 -11.308 609 HG2 GLU 69 2HG GLU 69 -5.858 10.408 -11.186 610 HG3 GLU 69 3HG GLU 69 -4.436 9.693 -10.422 611 H LEU 70 H LEU 70 -5.942 6.024 -8.854 612 HA LEU 70 HA LEU 70 -8.354 4.691 -9.436 613 HB2 LEU 70 2HB LEU 70 -5.896 3.716 -7.921 614 HB3 LEU 70 3HB LEU 70 -7.178 2.667 -8.512 615 HG LEU 70 HG LEU 70 -5.373 4.370 -10.275 616 HD11 LEU 70 1HD1 LEU 70 -4.306 2.279 -10.969 617 HD12 LEU 70 2HD1 LEU 70 -5.266 1.385 -9.787 618 HD13 LEU 70 3HD1 LEU 70 -4.089 2.584 -9.246 619 HD21 LEU 70 3HD2 LEU 70 -7.460 2.307 -11.050 620 HD22 LEU 70 1HD2 LEU 70 -6.346 3.113 -12.155 621 HD23 LEU 70 2HD2 LEU 70 -7.561 4.053 -11.299 622 H ALA 71 H ALA 71 -6.809 5.535 -6.333 623 HA ALA 71 HA ALA 71 -8.575 4.439 -4.501 624 HB1 ALA 71 3HB ALA 71 -7.039 7.054 -4.292 625 HB2 ALA 71 1HB ALA 71 -6.413 5.451 -3.906 626 HB3 ALA 71 2HB ALA 71 -7.713 6.143 -2.936 627 H GLN 72 H GLN 72 -8.676 7.638 -6.079 628 HA GLN 72 HA GLN 72 -11.036 8.561 -4.786 629 HB2 GLN 72 2HB GLN 72 -9.724 9.508 -7.363 630 HB3 GLN 72 3HB GLN 72 -11.039 10.354 -6.546 631 HG2 GLN 72 2HG GLN 72 -9.610 10.688 -4.568 632 HG3 GLN 72 3HG GLN 72 -8.294 9.825 -5.363 633 HE21 GLN 72 1HE2 GLN 72 -6.872 11.574 -5.339 634 HE22 GLN 72 2HE2 GLN 72 -7.125 13.009 -6.271 635 H LYS 73 H LYS 73 -10.499 6.746 -7.806 636 HA LYS 73 HA LYS 73 -13.061 6.957 -8.937 637 HB2 LYS 73 2HB LYS 73 -11.301 4.465 -9.093 638 HB3 LYS 73 3HB LYS 73 -12.594 4.906 -10.202 639 HG2 LYS 73 2HG LYS 73 -9.894 6.229 -9.894 640 HG3 LYS 73 3HG LYS 73 -10.484 5.306 -11.271 641 HD2 LYS 73 2HD LYS 73 -11.578 7.998 -10.359 642 HD3 LYS 73 3HD LYS 73 -10.445 7.755 -11.685 643 HE2 LYS 73 2HE LYS 73 -12.173 6.385 -12.862 644 HE3 LYS 73 3HE LYS 73 -13.310 6.752 -11.561 645 HZ1 LYS 73 3HZ LYS 73 -13.603 8.237 -13.439 646 HZ2 LYS 73 1HZ LYS 73 -11.992 8.745 -13.327 647 HZ3 LYS 73 2HZ LYS 73 -13.082 9.099 -12.082 648 H MET 74 H MET 74 -11.938 5.081 -6.249 649 HA MET 74 HA MET 74 -14.441 3.521 -6.049 650 HB2 MET 74 2HB MET 74 -11.976 3.229 -4.302 651 HB3 MET 74 3HB MET 74 -13.259 2.058 -4.575 652 HG2 MET 74 2HG MET 74 -11.245 2.920 -6.651 653 HG3 MET 74 3HG MET 74 -11.113 1.484 -5.647 654 HE1 MET 74 3HE MET 74 -11.829 -0.130 -9.065 655 HE2 MET 74 1HE MET 74 -10.821 -0.143 -7.618 656 HE3 MET 74 2HE MET 74 -10.792 1.249 -8.704 657 H GLU 75 H GLU 75 -12.984 6.341 -4.886 658 HA GLU 75 HA GLU 75 -12.951 7.640 -3.054 659 HB2 GLU 75 2HB GLU 75 -15.824 6.683 -2.868 660 HB3 GLU 75 3HB GLU 75 -15.178 8.029 -1.931 661 HG2 GLU 75 2HG GLU 75 -14.587 9.138 -4.143 662 HG3 GLU 75 3HG GLU 75 -15.522 7.871 -4.945 663 H ILE 76 H ILE 76 -11.901 5.034 -2.577 664 HA ILE 76 HA ILE 76 -12.572 4.314 0.178 665 HB ILE 76 HB ILE 76 -10.377 3.316 -1.703 666 HG12 ILE 76 2HG1 ILE 76 -12.939 1.954 -0.761 667 HG13 ILE 76 3HG1 ILE 76 -12.699 2.665 -2.352 668 HG21 ILE 76 1HG2 ILE 76 -9.624 3.096 0.656 669 HG22 ILE 76 2HG2 ILE 76 -9.917 1.520 -0.084 670 HG23 ILE 76 3HG2 ILE 76 -11.100 2.200 1.030 671 HD11 ILE 76 3HD1 ILE 76 -11.235 0.284 -1.220 672 HD12 ILE 76 1HD1 ILE 76 -10.925 1.021 -2.796 673 HD13 ILE 76 2HD1 ILE 76 -12.487 0.277 -2.463 674 H ASP 77 H ASP 77 -11.388 4.936 1.983 675 HA ASP 77 HA ASP 77 -9.732 7.252 1.871 676 HB2 ASP 77 2HB ASP 77 -11.131 6.703 3.858 677 HB3 ASP 77 3HB ASP 77 -10.147 5.275 4.157 678 H VAL 78 H VAL 78 -7.797 7.095 0.888 679 HA VAL 78 HA VAL 78 -5.907 4.948 1.635 680 HB VAL 78 HB VAL 78 -6.268 6.196 -1.133 681 HG11 VAL 78 1HG1 VAL 78 -4.252 4.116 -0.217 682 HG12 VAL 78 2HG1 VAL 78 -3.886 5.780 -0.682 683 HG13 VAL 78 3HG1 VAL 78 -4.490 4.641 -1.886 684 HG21 VAL 78 3HG2 VAL 78 -6.885 3.905 -1.882 685 HG22 VAL 78 1HG2 VAL 78 -8.012 4.517 -0.663 686 HG23 VAL 78 2HG2 VAL 78 -6.776 3.342 -0.216 687 H ARG 79 H ARG 79 -3.940 5.640 2.233 688 HA ARG 79 HA ARG 79 -3.055 8.418 1.787 689 HB2 ARG 79 2HB ARG 79 -1.989 6.325 3.751 690 HB3 ARG 79 3HB ARG 79 -1.310 7.929 3.515 691 HG2 ARG 79 2HG ARG 79 -2.555 8.119 5.485 692 HG3 ARG 79 3HG ARG 79 -3.579 8.846 4.253 693 HD2 ARG 79 2HD ARG 79 -4.999 6.854 4.192 694 HD3 ARG 79 3HD ARG 79 -3.914 6.000 5.295 695 HE ARG 79 HE ARG 79 -5.961 7.883 5.980 696 HH11 ARG 79 1HH1 ARG 79 -2.859 6.609 7.084 697 HH12 ARG 79 2HH1 ARG 79 -3.139 7.063 8.732 698 HH21 ARG 79 1HH2 ARG 79 -6.209 8.579 8.125 699 HH22 ARG 79 2HH2 ARG 79 -5.021 8.171 9.320 700 H THR 80 H THR 80 -1.756 8.547 0.046 701 HA THR 80 HA THR 80 -0.517 6.085 -1.010 702 HB THR 80 HB THR 80 -0.982 8.672 -2.555 703 HG1 THR 80 HG1 THR 80 -2.687 6.391 -2.543 704 HG21 THR 80 3HG2 THR 80 0.608 7.047 -3.563 705 HG22 THR 80 1HG2 THR 80 -0.873 7.184 -4.518 706 HG23 THR 80 2HG2 THR 80 -0.628 5.794 -3.459 707 H ARG 81 H ARG 81 1.542 5.928 -0.443 708 HA ARG 81 HA ARG 81 3.299 8.299 -0.119 709 HB2 ARG 81 2HB ARG 81 3.137 5.670 1.414 710 HB3 ARG 81 3HB ARG 81 4.598 6.646 1.453 711 HG2 ARG 81 2HG ARG 81 1.852 7.572 2.375 712 HG3 ARG 81 3HG ARG 81 3.160 7.021 3.430 713 HD2 ARG 81 2HD ARG 81 4.592 8.870 2.536 714 HD3 ARG 81 3HD ARG 81 3.204 9.452 1.610 715 HE ARG 81 HE ARG 81 2.287 9.391 4.177 716 HH11 ARG 81 1HH1 ARG 81 5.071 10.867 2.612 717 HH12 ARG 81 2HH1 ARG 81 5.136 12.207 3.712 718 HH21 ARG 81 1HH2 ARG 81 2.395 11.153 5.618 719 HH22 ARG 81 2HH2 ARG 81 3.619 12.364 5.411 720 H LYS 82 H LYS 82 5.153 8.306 -1.306 721 HA LYS 82 HA LYS 82 5.904 5.920 -2.864 722 HB2 LYS 82 2HB LYS 82 5.753 8.131 -4.060 723 HB3 LYS 82 3HB LYS 82 7.051 8.741 -3.035 724 HG2 LYS 82 2HG LYS 82 8.496 6.820 -3.941 725 HG3 LYS 82 3HG LYS 82 7.213 6.528 -5.119 726 HD2 LYS 82 2HD LYS 82 8.907 7.889 -6.172 727 HD3 LYS 82 3HD LYS 82 7.484 8.901 -5.906 728 HE2 LYS 82 2HE LYS 82 8.565 9.824 -3.851 729 HE3 LYS 82 3HE LYS 82 9.991 8.842 -4.186 730 HZ1 LYS 82 3HZ LYS 82 10.318 11.078 -4.940 731 HZ2 LYS 82 1HZ LYS 82 8.921 11.015 -5.888 732 HZ3 LYS 82 2HZ LYS 82 10.244 10.046 -6.278 733 H VAL 83 H VAL 83 7.349 4.633 -1.960 734 HA VAL 83 HA VAL 83 9.352 5.590 -0.043 735 HB VAL 83 HB VAL 83 9.733 3.246 0.502 736 HG11 VAL 83 1HG1 VAL 83 6.762 3.875 0.304 737 HG12 VAL 83 2HG1 VAL 83 7.850 4.310 1.624 738 HG13 VAL 83 3HG1 VAL 83 7.463 2.618 1.325 739 HG21 VAL 83 3HG2 VAL 83 9.534 2.209 -1.734 740 HG22 VAL 83 1HG2 VAL 83 7.793 2.502 -1.734 741 HG23 VAL 83 2HG2 VAL 83 8.501 1.375 -0.573 742 H THR 84 H THR 84 11.471 5.657 -0.522 743 HA THR 84 HA THR 84 12.407 4.956 -3.234 744 HB THR 84 HB THR 84 14.324 6.522 -2.694 745 HG1 THR 84 HG1 THR 84 13.785 7.976 -0.838 746 HG21 THR 84 3HG2 THR 84 13.040 8.621 -2.934 747 HG22 THR 84 1HG2 THR 84 11.555 7.779 -2.475 748 HG23 THR 84 2HG2 THR 84 12.378 7.365 -3.980 749 H SER 85 H SER 85 13.442 4.977 0.160 750 HA SER 85 HA SER 85 15.296 2.752 -0.223 751 HB2 SER 85 2HB SER 85 14.572 4.354 2.283 752 HB3 SER 85 3HB SER 85 15.916 3.211 2.139 753 HG SER 85 HG SER 85 16.324 4.810 0.181 754 HA PRO 86 HA PRO 86 12.332 -0.366 1.423 755 HB2 PRO 86 2HB PRO 86 14.742 -1.549 2.783 756 HB3 PRO 86 3HB PRO 86 13.563 -2.320 1.697 757 HG2 PRO 86 2HG PRO 86 16.002 -1.758 0.793 758 HG3 PRO 86 3HG PRO 86 14.578 -1.500 -0.240 759 HD2 PRO 86 2HD PRO 86 16.162 0.553 1.314 760 HD3 PRO 86 3HD PRO 86 15.540 0.637 -0.352 761 H ASP 87 H ASP 87 14.756 1.268 3.369 762 HA ASP 87 HA ASP 87 13.831 1.056 5.955 763 HB2 ASP 87 2HB ASP 87 14.986 3.512 4.556 764 HB3 ASP 87 3HB ASP 87 14.824 3.353 6.305 765 H GLU 88 H GLU 88 12.769 3.310 3.408 766 HA GLU 88 HA GLU 88 10.794 4.687 4.916 767 HB2 GLU 88 2HB GLU 88 11.130 4.347 1.906 768 HB3 GLU 88 3HB GLU 88 9.975 5.450 2.648 769 HG2 GLU 88 2HG GLU 88 12.991 5.592 2.956 770 HG3 GLU 88 3HG GLU 88 12.014 6.610 1.900 771 H ALA 89 H ALA 89 10.695 1.808 2.844 772 HA ALA 89 HA ALA 89 7.902 1.498 2.612 773 HB1 ALA 89 3HB ALA 89 8.403 -0.811 1.939 774 HB2 ALA 89 1HB ALA 89 10.055 -0.638 2.543 775 HB3 ALA 89 2HB ALA 89 9.509 0.326 1.168 776 H LYS 90 H LYS 90 10.210 0.177 4.951 777 HA LYS 90 HA LYS 90 8.363 -1.293 6.549 778 HB2 LYS 90 2HB LYS 90 11.086 -0.176 7.330 779 HB3 LYS 90 3HB LYS 90 10.234 -1.510 8.096 780 HG2 LYS 90 2HG LYS 90 10.647 -2.977 6.269 781 HG3 LYS 90 3HG LYS 90 11.107 -1.647 5.205 782 HD2 LYS 90 2HD LYS 90 13.126 -2.793 5.828 783 HD3 LYS 90 3HD LYS 90 13.116 -1.247 6.678 784 HE2 LYS 90 2HE LYS 90 13.864 -2.886 8.248 785 HE3 LYS 90 3HE LYS 90 12.197 -2.521 8.702 786 HZ1 LYS 90 3HZ LYS 90 11.488 -4.519 7.530 787 HZ2 LYS 90 1HZ LYS 90 12.635 -4.899 8.715 788 HZ3 LYS 90 2HZ LYS 90 13.087 -4.855 7.089 789 H ARG 91 H ARG 91 9.783 1.930 6.674 790 HA ARG 91 HA ARG 91 9.115 2.798 9.231 791 HB2 ARG 91 2HB ARG 91 10.723 4.016 7.923 792 HB3 ARG 91 3HB ARG 91 9.577 4.252 6.612 793 HG2 ARG 91 2HG ARG 91 8.246 5.745 8.225 794 HG3 ARG 91 3HG ARG 91 9.656 5.672 9.287 795 HD2 ARG 91 2HD ARG 91 11.056 6.657 7.543 796 HD3 ARG 91 3HD ARG 91 9.703 6.634 6.408 797 HE ARG 91 HE ARG 91 8.823 8.115 8.561 798 HH11 ARG 91 1HH1 ARG 91 11.434 8.351 6.212 799 HH12 ARG 91 2HH1 ARG 91 11.493 10.086 6.273 800 HH21 ARG 91 1HH2 ARG 91 8.934 10.403 8.629 801 HH22 ARG 91 2HH2 ARG 91 10.081 11.241 7.636 802 H TRP 92 H TRP 92 7.344 3.557 6.151 803 HA TRP 92 HA TRP 92 5.330 5.026 7.400 804 HB2 TRP 92 2HB TRP 92 5.334 3.657 4.685 805 HB3 TRP 92 3HB TRP 92 4.075 4.772 5.212 806 HD1 TRP 92 HD1 TRP 92 7.004 4.864 3.122 807 HE1 TRP 92 HE1 TRP 92 8.032 7.208 2.946 808 HE3 TRP 92 HE3 TRP 92 4.642 7.087 7.078 809 HZ2 TRP 92 HZ2 TRP 92 7.864 9.673 4.279 810 HZ3 TRP 92 HZ3 TRP 92 5.132 9.451 7.556 811 HH2 TRP 92 HH2 TRP 92 6.712 10.716 6.183 812 H ILE 93 H ILE 93 5.581 1.563 6.949 813 HA ILE 93 HA ILE 93 2.813 0.919 7.455 814 HB ILE 93 HB ILE 93 5.353 -0.760 7.594 815 HG12 ILE 93 2HG1 ILE 93 3.169 -0.710 5.464 816 HG13 ILE 93 3HG1 ILE 93 4.728 0.097 5.320 817 HG21 ILE 93 1HG2 ILE 93 3.677 -1.772 9.076 818 HG22 ILE 93 2HG2 ILE 93 3.901 -2.773 7.642 819 HG23 ILE 93 3HG2 ILE 93 2.480 -1.736 7.780 820 HD11 ILE 93 3HD1 ILE 93 5.857 -2.071 5.458 821 HD12 ILE 93 1HD1 ILE 93 4.733 -1.971 4.097 822 HD13 ILE 93 2HD1 ILE 93 4.281 -2.876 5.544 823 H LYS 94 H LYS 94 5.837 0.721 9.354 824 HA LYS 94 HA LYS 94 5.014 0.101 11.875 825 HB2 LYS 94 2HB LYS 94 7.360 0.368 11.254 826 HB3 LYS 94 3HB LYS 94 7.126 2.082 10.939 827 HG2 LYS 94 2HG LYS 94 6.681 2.429 13.383 828 HG3 LYS 94 3HG LYS 94 7.057 0.721 13.651 829 HD2 LYS 94 2HD LYS 94 9.340 1.064 12.784 830 HD3 LYS 94 3HD LYS 94 8.969 2.752 12.422 831 HE2 LYS 94 2HE LYS 94 9.091 1.488 15.181 832 HE3 LYS 94 3HE LYS 94 10.267 2.600 14.480 833 HZ1 LYS 94 3HZ LYS 94 8.543 4.308 14.415 834 HZ2 LYS 94 1HZ LYS 94 8.805 3.747 15.986 835 HZ3 LYS 94 2HZ LYS 94 7.440 3.246 15.131 836 H GLU 95 H GLU 95 5.177 3.368 10.472 837 HA GLU 95 HA GLU 95 4.183 4.708 12.778 838 HB2 GLU 95 2HB GLU 95 4.501 5.768 9.939 839 HB3 GLU 95 3HB GLU 95 4.252 6.748 11.386 840 HG2 GLU 95 2HG GLU 95 6.403 5.723 12.307 841 HG3 GLU 95 3HG GLU 95 6.677 5.052 10.706 842 H PHE 96 H PHE 96 2.650 3.441 9.842 843 HA PHE 96 HA PHE 96 0.121 4.723 10.040 844 HB2 PHE 96 2HB PHE 96 0.962 3.544 7.998 845 HB3 PHE 96 3HB PHE 96 0.804 2.004 8.821 846 HD1 PHE 96 HD1 PHE 96 -1.280 4.982 7.811 847 HD2 PHE 96 HD2 PHE 96 -1.161 0.745 8.436 848 HE1 PHE 96 HE1 PHE 96 -3.554 4.771 6.889 849 HE2 PHE 96 HE2 PHE 96 -3.432 0.553 7.523 850 HZ PHE 96 HZ PHE 96 -4.629 2.560 6.746 851 H SER 97 H SER 97 1.425 1.808 11.549 852 HA SER 97 HA SER 97 -1.092 1.075 12.804 853 HB2 SER 97 2HB SER 97 0.308 -0.704 13.933 854 HB3 SER 97 3HB SER 97 0.347 -0.754 12.172 855 HG SER 97 HG SER 97 2.372 0.069 12.173 856 H GLU 98 H GLU 98 1.859 2.862 13.697 857 HA GLU 98 HA GLU 98 1.206 3.197 16.463 858 HB2 GLU 98 2HB GLU 98 2.867 5.000 14.645 859 HB3 GLU 98 3HB GLU 98 2.788 5.135 16.399 860 HG2 GLU 98 2HG GLU 98 3.924 2.812 14.818 861 HG3 GLU 98 3HG GLU 98 4.834 4.003 15.739 862 H GLU 99 H GLU 99 0.054 4.661 13.556 863 HA GLU 99 HA GLU 99 -1.399 6.835 14.789 864 HB2 GLU 99 2HB GLU 99 -1.498 5.588 12.008 865 HB3 GLU 99 3HB GLU 99 -2.456 6.984 12.480 866 HG2 GLU 99 2HG GLU 99 0.573 6.920 12.521 867 HG3 GLU 99 3HG GLU 99 -0.386 7.515 11.170 868 H GLY 100 H GLY 100 -1.868 3.470 14.639 869 HA2 GLY 100 2HA GLY 100 -3.631 2.000 14.693 870 HA3 GLY 100 3HA GLY 100 -4.473 3.248 15.608 871 H GLY 101 H GLY 101 -3.332 3.532 12.283 872 HA2 GLY 101 2HA GLY 101 -4.447 4.049 10.330 873 HA3 GLY 101 3HA GLY 101 -5.976 3.650 11.101 874 H SER 102 H SER 102 -6.697 5.240 12.839 875 HA SER 102 HA SER 102 -5.974 8.040 12.216 876 HB2 SER 102 2HB SER 102 -8.451 8.600 12.402 877 HB3 SER 102 3HB SER 102 -8.002 7.659 10.980 878 HG SER 102 HG SER 102 -9.264 6.753 13.346 879 H LEU 103 H LEU 103 -4.739 8.057 14.162 880 HA LEU 103 HA LEU 103 -6.366 8.609 16.570 881 HB2 LEU 103 2HB LEU 103 -3.356 8.438 16.158 882 HB3 LEU 103 3HB LEU 103 -4.060 9.105 17.621 883 HG LEU 103 HG LEU 103 -4.430 6.242 16.654 884 HD11 LEU 103 1HD1 LEU 103 -2.725 7.288 18.932 885 HD12 LEU 103 2HD1 LEU 103 -2.142 6.625 17.403 886 HD13 LEU 103 3HD1 LEU 103 -3.003 5.587 18.537 887 HD21 LEU 103 3HD2 LEU 103 -5.492 5.825 18.838 888 HD22 LEU 103 1HD2 LEU 103 -6.400 7.002 17.892 889 HD23 LEU 103 2HD2 LEU 103 -5.385 7.542 19.233 890 H GLU 104 H GLU 104 -4.022 10.054 14.344 891 HA GLU 104 HA GLU 104 -4.361 12.763 15.273 892 HB2 GLU 104 2HB GLU 104 -2.984 11.581 12.815 893 HB3 GLU 104 3HB GLU 104 -2.906 13.282 13.264 894 HG2 GLU 104 2HG GLU 104 -1.910 11.014 15.026 895 HG3 GLU 104 3HG GLU 104 -0.891 11.920 13.911 896 H HIS 105 H HIS 105 -4.728 14.438 13.420 897 HA HIS 105 HA HIS 105 -7.560 14.303 13.036 898 HB2 HIS 105 2HB HIS 105 -5.563 16.486 12.290 899 HB3 HIS 105 3HB HIS 105 -7.310 16.663 12.212 900 HD1 HIS 105 HD1 HIS 105 -8.570 17.030 14.412 901 HD2 HIS 105 HD2 HIS 105 -4.491 16.461 14.926 902 HE1 HIS 105 HE1 HIS 105 -8.104 17.601 16.807 903 HE2 HIS 105 HE2 HIS 105 -5.684 17.012 17.139 904 H HIS 106 H HIS 106 -8.180 12.917 11.496 905 HA HIS 106 HA HIS 106 -7.115 12.790 8.840 906 HB2 HIS 106 2HB HIS 106 -9.207 11.423 8.335 907 HB3 HIS 106 3HB HIS 106 -8.194 10.798 9.630 908 HD1 HIS 106 HD1 HIS 106 -11.515 12.461 9.025 909 HD2 HIS 106 HD2 HIS 106 -9.448 10.634 12.129 910 HE1 HIS 106 HE1 HIS 106 -13.192 12.150 10.858 911 HE2 HIS 106 HE2 HIS 106 -11.876 11.193 12.774 912 H HIS 107 H HIS 107 -7.169 14.581 7.656 913 HA HIS 107 HA HIS 107 -9.233 16.604 7.921 914 HB2 HIS 107 2HB HIS 107 -6.687 16.525 6.257 915 HB3 HIS 107 3HB HIS 107 -7.785 17.902 6.318 916 HD1 HIS 107 HD1 HIS 107 -4.929 16.408 8.045 917 HD2 HIS 107 HD2 HIS 107 -7.936 19.118 8.985 918 HE1 HIS 107 HE1 HIS 107 -4.133 17.619 10.094 919 HE2 HIS 107 HE2 HIS 107 -6.043 19.130 10.736 920 H HIS 108 H HIS 108 -10.964 15.305 7.145 921 HA HIS 108 HA HIS 108 -11.376 15.661 4.242 922 HB2 HIS 108 2HB HIS 108 -11.043 13.230 4.635 923 HB3 HIS 108 3HB HIS 108 -12.286 13.242 5.875 924 HD1 HIS 108 HD1 HIS 108 -14.721 13.068 5.105 925 HD2 HIS 108 HD2 HIS 108 -12.045 13.426 1.945 926 HE1 HIS 108 HE1 HIS 108 -16.047 12.584 3.033 927 HE2 HIS 108 HE2 HIS 108 -14.391 12.711 1.151 928 H HIS 109 H HIS 109 -13.031 17.028 3.969 929 HA HIS 109 HA HIS 109 -14.576 18.020 6.158 930 HB2 HIS 109 2HB HIS 109 -15.612 19.533 4.571 931 HB3 HIS 109 3HB HIS 109 -13.907 19.408 4.150 932 HD1 HIS 109 HD1 HIS 109 -17.334 18.742 2.869 933 HD2 HIS 109 HD2 HIS 109 -13.412 18.019 1.672 934 HE1 HIS 109 HE1 HIS 109 -17.464 18.121 0.448 935 HE2 HIS 109 HE2 HIS 109 -15.102 17.611 -0.232 936 H HIS 110 H HIS 110 -16.987 18.239 6.001 937 HA HIS 110 HA HIS 110 -18.362 15.883 6.339 938 HB2 HIS 110 2HB HIS 110 -19.127 18.088 7.178 939 HB3 HIS 110 3HB HIS 110 -19.493 18.600 5.533 940 HD1 HIS 110 HD1 HIS 110 -20.756 16.429 8.320 941 HD2 HIS 110 HD2 HIS 110 -21.959 17.605 4.522 942 HE1 HIS 110 HE1 HIS 110 -23.157 15.741 8.121 943 HE2 HIS 110 HE2 HIS 110 -23.823 16.355 5.780 Start of MODEL 18 1 H1 MET 1 1H MET 1 -12.023 -1.231 12.594 2 H2 MET 1 2H MET 1 -11.739 -0.038 13.756 3 H3 MET 1 3H MET 1 -10.659 -1.325 13.587 4 HA MET 1 HA MET 1 -11.223 0.703 11.528 5 HB2 MET 1 2HB MET 1 -10.089 1.688 13.480 6 HB3 MET 1 3HB MET 1 -8.864 0.433 13.432 7 HG2 MET 1 2HG MET 1 -7.911 2.442 12.550 8 HG3 MET 1 3HG MET 1 -8.119 1.323 11.209 9 HE1 MET 1 3HE MET 1 -10.491 3.105 8.831 10 HE2 MET 1 1HE MET 1 -10.558 1.545 9.650 11 HE3 MET 1 2HE MET 1 -9.034 2.124 8.974 12 H LEU 2 H LEU 2 -11.422 -0.832 9.917 13 HA LEU 2 HA LEU 2 -9.601 -2.920 9.354 14 HB2 LEU 2 2HB LEU 2 -11.305 -1.366 7.366 15 HB3 LEU 2 3HB LEU 2 -10.592 -2.944 7.089 16 HG LEU 2 HG LEU 2 -12.828 -2.315 9.057 17 HD11 LEU 2 1HD1 LEU 2 -12.917 -3.805 6.416 18 HD12 LEU 2 2HD1 LEU 2 -13.597 -2.209 6.753 19 HD13 LEU 2 3HD1 LEU 2 -14.256 -3.633 7.555 20 HD21 LEU 2 3HD2 LEU 2 -11.468 -4.122 9.954 21 HD22 LEU 2 1HD2 LEU 2 -11.560 -5.001 8.423 22 HD23 LEU 2 2HD2 LEU 2 -13.013 -4.753 9.393 23 H LEU 3 H LEU 3 -7.424 -2.553 9.092 24 HA LEU 3 HA LEU 3 -6.537 -0.292 7.377 25 HB2 LEU 3 2HB LEU 3 -5.021 -1.811 9.543 26 HB3 LEU 3 3HB LEU 3 -4.297 -0.600 8.497 27 HG LEU 3 HG LEU 3 -6.463 -0.106 10.584 28 HD11 LEU 3 1HD1 LEU 3 -3.565 0.794 10.532 29 HD12 LEU 3 2HD1 LEU 3 -4.246 -0.469 11.562 30 HD13 LEU 3 3HD1 LEU 3 -4.765 1.203 11.765 31 HD21 LEU 3 3HD2 LEU 3 -6.229 2.288 10.066 32 HD22 LEU 3 1HD2 LEU 3 -6.828 1.381 8.679 33 HD23 LEU 3 2HD2 LEU 3 -5.142 1.902 8.731 34 H TYR 4 H TYR 4 -5.129 -0.707 5.693 35 HA TYR 4 HA TYR 4 -4.164 -3.437 5.185 36 HB2 TYR 4 2HB TYR 4 -5.994 -1.876 3.312 37 HB3 TYR 4 3HB TYR 4 -4.895 -3.107 2.697 38 HD1 TYR 4 HD1 TYR 4 -5.194 -5.498 3.359 39 HD2 TYR 4 HD2 TYR 4 -8.060 -2.527 4.479 40 HE1 TYR 4 HE1 TYR 4 -6.829 -7.255 3.862 41 HE2 TYR 4 HE2 TYR 4 -9.695 -4.303 4.988 42 HH TYR 4 HH TYR 4 -10.100 -6.678 4.277 43 H VAL 5 H VAL 5 -2.457 -3.536 3.682 44 HA VAL 5 HA VAL 5 -1.164 -0.989 2.902 45 HB VAL 5 HB VAL 5 0.298 -3.469 3.984 46 HG11 VAL 5 1HG1 VAL 5 1.604 -2.298 2.260 47 HG12 VAL 5 2HG1 VAL 5 2.343 -2.094 3.850 48 HG13 VAL 5 3HG1 VAL 5 1.413 -0.776 3.135 49 HG21 VAL 5 3HG2 VAL 5 0.937 -2.084 5.937 50 HG22 VAL 5 1HG2 VAL 5 -0.819 -2.249 5.826 51 HG23 VAL 5 2HG2 VAL 5 -0.040 -0.750 5.318 52 H LEU 6 H LEU 6 -1.050 -0.951 0.708 53 HA LEU 6 HA LEU 6 -0.649 -3.463 -0.830 54 HB2 LEU 6 2HB LEU 6 -1.572 -0.709 -1.792 55 HB3 LEU 6 3HB LEU 6 -1.350 -2.118 -2.816 56 HG LEU 6 HG LEU 6 -3.475 -1.718 -0.690 57 HD11 LEU 6 1HD1 LEU 6 -3.952 -0.584 -2.799 58 HD12 LEU 6 2HD1 LEU 6 -5.063 -1.927 -2.551 59 HD13 LEU 6 3HD1 LEU 6 -3.726 -2.091 -3.691 60 HD21 LEU 6 3HD2 LEU 6 -4.342 -3.946 -1.274 61 HD22 LEU 6 1HD2 LEU 6 -2.743 -4.019 -0.533 62 HD23 LEU 6 2HD2 LEU 6 -2.919 -4.235 -2.277 63 H ILE 7 H ILE 7 1.374 -3.751 -1.746 64 HA ILE 7 HA ILE 7 3.177 -1.394 -1.809 65 HB ILE 7 HB ILE 7 3.895 -2.923 -0.054 66 HG12 ILE 7 2HG1 ILE 7 5.792 -3.045 -2.437 67 HG13 ILE 7 3HG1 ILE 7 5.597 -1.655 -1.376 68 HG21 ILE 7 1HG2 ILE 7 4.190 -5.092 -2.148 69 HG22 ILE 7 2HG2 ILE 7 2.969 -5.054 -0.876 70 HG23 ILE 7 3HG2 ILE 7 4.677 -5.213 -0.455 71 HD11 ILE 7 3HD1 ILE 7 7.595 -2.944 -0.872 72 HD12 ILE 7 1HD1 ILE 7 6.605 -4.361 -0.533 73 HD13 ILE 7 2HD1 ILE 7 6.469 -2.926 0.483 74 H ILE 8 H ILE 8 3.368 -0.742 -3.825 75 HA ILE 8 HA ILE 8 3.775 -2.593 -6.072 76 HB ILE 8 HB ILE 8 3.788 0.464 -6.127 77 HG12 ILE 8 2HG1 ILE 8 1.365 -1.338 -6.573 78 HG13 ILE 8 3HG1 ILE 8 1.624 -0.322 -5.162 79 HG21 ILE 8 1HG2 ILE 8 3.271 -1.546 -8.351 80 HG22 ILE 8 2HG2 ILE 8 4.756 -0.622 -8.120 81 HG23 ILE 8 3HG2 ILE 8 3.254 0.211 -8.520 82 HD11 ILE 8 3HD1 ILE 8 1.536 1.659 -6.600 83 HD12 ILE 8 1HD1 ILE 8 0.061 0.703 -6.650 84 HD13 ILE 8 2HD1 ILE 8 1.204 0.623 -7.990 85 H SER 9 H SER 9 5.839 -3.413 -5.870 86 HA SER 9 HA SER 9 8.117 -1.612 -6.184 87 HB2 SER 9 2HB SER 9 7.932 -1.903 -3.706 88 HB3 SER 9 3HB SER 9 7.988 -3.652 -3.904 89 HG SER 9 HG SER 9 10.033 -1.746 -4.267 90 H ASN 10 H ASN 10 9.436 -2.441 -7.687 91 HA ASN 10 HA ASN 10 9.167 -5.119 -8.732 92 HB2 ASN 10 2HB ASN 10 11.214 -2.932 -9.331 93 HB3 ASN 10 3HB ASN 10 11.077 -4.444 -10.227 94 HD21 ASN 10 1HD2 ASN 10 10.760 -1.625 -11.091 95 HD22 ASN 10 2HD2 ASN 10 9.200 -1.542 -11.832 96 H ASP 11 H ASP 11 10.924 -3.709 -6.173 97 HA ASP 11 HA ASP 11 13.137 -5.609 -6.218 98 HB2 ASP 11 2HB ASP 11 12.454 -3.371 -4.269 99 HB3 ASP 11 3HB ASP 11 13.891 -4.388 -4.163 100 H LYS 12 H LYS 12 12.751 -7.544 -5.549 101 HA LYS 12 HA LYS 12 10.529 -8.467 -4.076 102 HB2 LYS 12 2HB LYS 12 13.173 -9.826 -4.762 103 HB3 LYS 12 3HB LYS 12 11.867 -10.660 -3.934 104 HG2 LYS 12 2HG LYS 12 11.810 -11.282 -6.256 105 HG3 LYS 12 3HG LYS 12 10.402 -10.269 -5.929 106 HD2 LYS 12 2HD LYS 12 11.507 -8.348 -6.985 107 HD3 LYS 12 3HD LYS 12 12.979 -9.293 -7.221 108 HE2 LYS 12 2HE LYS 12 10.303 -9.983 -8.479 109 HE3 LYS 12 3HE LYS 12 11.558 -9.040 -9.281 110 HZ1 LYS 12 3HZ LYS 12 11.693 -11.323 -9.957 111 HZ2 LYS 12 1HZ LYS 12 11.796 -11.851 -8.355 112 HZ3 LYS 12 2HZ LYS 12 13.056 -10.952 -9.031 113 H LYS 13 H LYS 13 13.793 -7.559 -3.111 114 HA LYS 13 HA LYS 13 13.735 -8.585 -0.442 115 HB2 LYS 13 2HB LYS 13 15.467 -6.375 -1.650 116 HB3 LYS 13 3HB LYS 13 15.753 -7.153 -0.098 117 HG2 LYS 13 2HG LYS 13 15.786 -8.586 -2.766 118 HG3 LYS 13 3HG LYS 13 17.220 -7.989 -1.933 119 HD2 LYS 13 2HD LYS 13 16.728 -9.510 -0.028 120 HD3 LYS 13 3HD LYS 13 15.304 -10.111 -0.884 121 HE2 LYS 13 2HE LYS 13 16.712 -11.011 -2.664 122 HE3 LYS 13 3HE LYS 13 18.156 -10.324 -1.914 123 HZ1 LYS 13 3HZ LYS 13 18.011 -12.639 -1.381 124 HZ2 LYS 13 1HZ LYS 13 16.433 -12.470 -0.801 125 HZ3 LYS 13 2HZ LYS 13 17.718 -11.759 0.031 126 H LEU 14 H LEU 14 13.043 -5.394 -1.912 127 HA LEU 14 HA LEU 14 12.490 -3.935 0.430 128 HB2 LEU 14 2HB LEU 14 12.851 -3.082 -1.959 129 HB3 LEU 14 3HB LEU 14 11.185 -3.492 -2.290 130 HG LEU 14 HG LEU 14 11.959 -1.496 -0.119 131 HD11 LEU 14 1HD1 LEU 14 11.333 -0.845 -3.009 132 HD12 LEU 14 2HD1 LEU 14 12.904 -0.689 -2.218 133 HD13 LEU 14 3HD1 LEU 14 11.559 0.325 -1.703 134 HD21 LEU 14 3HD2 LEU 14 9.651 -2.290 0.063 135 HD22 LEU 14 1HD2 LEU 14 9.343 -1.852 -1.616 136 HD23 LEU 14 2HD2 LEU 14 9.681 -0.596 -0.418 137 H ILE 15 H ILE 15 10.417 -5.899 -1.663 138 HA ILE 15 HA ILE 15 7.943 -5.524 -0.428 139 HB ILE 15 HB ILE 15 9.023 -7.923 -1.961 140 HG12 ILE 15 2HG1 ILE 15 7.190 -5.639 -2.847 141 HG13 ILE 15 3HG1 ILE 15 8.884 -5.814 -3.284 142 HG21 ILE 15 1HG2 ILE 15 7.164 -8.683 -0.560 143 HG22 ILE 15 2HG2 ILE 15 6.678 -8.649 -2.255 144 HG23 ILE 15 3HG2 ILE 15 6.153 -7.368 -1.163 145 HD11 ILE 15 3HD1 ILE 15 7.440 -6.470 -5.108 146 HD12 ILE 15 1HD1 ILE 15 6.647 -7.672 -4.088 147 HD13 ILE 15 2HD1 ILE 15 8.349 -7.858 -4.517 148 H GLU 16 H GLU 16 10.458 -7.954 0.190 149 HA GLU 16 HA GLU 16 9.151 -9.387 2.264 150 HB2 GLU 16 2HB GLU 16 12.117 -9.079 1.648 151 HB3 GLU 16 3HB GLU 16 11.479 -10.197 2.851 152 HG2 GLU 16 2HG GLU 16 10.233 -11.399 1.111 153 HG3 GLU 16 3HG GLU 16 10.825 -10.273 -0.111 154 H GLU 17 H GLU 17 11.387 -6.651 2.328 155 HA GLU 17 HA GLU 17 11.816 -6.426 5.083 156 HB2 GLU 17 2HB GLU 17 11.957 -4.468 2.769 157 HB3 GLU 17 3HB GLU 17 12.262 -3.919 4.402 158 HG2 GLU 17 2HG GLU 17 13.820 -6.067 2.949 159 HG3 GLU 17 3HG GLU 17 14.342 -4.404 3.199 160 H ALA 18 H ALA 18 9.414 -4.820 3.000 161 HA ALA 18 HA ALA 18 8.132 -3.307 5.030 162 HB1 ALA 18 3HB ALA 18 7.141 -4.163 2.294 163 HB2 ALA 18 1HB ALA 18 8.034 -2.687 2.666 164 HB3 ALA 18 2HB ALA 18 6.403 -2.917 3.305 165 H ARG 19 H ARG 19 7.481 -6.461 3.527 166 HA ARG 19 HA ARG 19 4.972 -7.008 4.669 167 HB2 ARG 19 2HB ARG 19 5.969 -8.225 2.708 168 HB3 ARG 19 3HB ARG 19 7.073 -9.044 3.808 169 HG2 ARG 19 2HG ARG 19 4.993 -9.966 5.000 170 HG3 ARG 19 3HG ARG 19 4.051 -9.339 3.642 171 HD2 ARG 19 2HD ARG 19 4.579 -11.736 3.366 172 HD3 ARG 19 3HD ARG 19 5.317 -10.760 2.088 173 HE ARG 19 HE ARG 19 6.944 -11.432 4.445 174 HH11 ARG 19 1HH1 ARG 19 6.245 -12.066 1.059 175 HH12 ARG 19 2HH1 ARG 19 7.746 -12.882 0.771 176 HH21 ARG 19 1HH2 ARG 19 8.959 -12.454 4.023 177 HH22 ARG 19 2HH2 ARG 19 9.279 -13.101 2.448 178 H LYS 20 H LYS 20 8.257 -7.590 5.866 179 HA LYS 20 HA LYS 20 7.640 -9.194 8.103 180 HB2 LYS 20 2HB LYS 20 9.909 -7.238 7.601 181 HB3 LYS 20 3HB LYS 20 9.804 -8.155 9.091 182 HG2 LYS 20 2HG LYS 20 10.090 -9.356 6.319 183 HG3 LYS 20 3HG LYS 20 11.400 -9.094 7.463 184 HD2 LYS 20 2HD LYS 20 10.968 -11.343 7.841 185 HD3 LYS 20 3HD LYS 20 9.918 -10.627 9.061 186 HE2 LYS 20 2HE LYS 20 8.007 -10.858 7.473 187 HE3 LYS 20 3HE LYS 20 9.090 -11.640 6.324 188 HZ1 LYS 20 3HZ LYS 20 7.728 -13.181 7.665 189 HZ2 LYS 20 1HZ LYS 20 8.553 -12.675 9.052 190 HZ3 LYS 20 2HZ LYS 20 9.394 -13.458 7.807 191 H MET 21 H MET 21 7.906 -5.650 7.785 192 HA MET 21 HA MET 21 7.268 -4.996 10.462 193 HB2 MET 21 2HB MET 21 7.266 -3.442 7.867 194 HB3 MET 21 3HB MET 21 6.643 -2.696 9.334 195 HG2 MET 21 2HG MET 21 9.440 -3.796 8.960 196 HG3 MET 21 3HG MET 21 8.977 -2.096 8.966 197 HE1 MET 21 3HE MET 21 6.717 -2.272 11.357 198 HE2 MET 21 1HE MET 21 7.839 -0.921 11.172 199 HE3 MET 21 2HE MET 21 7.703 -1.746 12.725 200 H ALA 22 H ALA 22 5.229 -5.445 7.604 201 HA ALA 22 HA ALA 22 2.787 -4.625 8.748 202 HB1 ALA 22 3HB ALA 22 3.132 -4.843 6.332 203 HB2 ALA 22 1HB ALA 22 1.746 -5.800 6.857 204 HB3 ALA 22 2HB ALA 22 3.283 -6.594 6.497 205 H GLU 23 H GLU 23 4.416 -7.798 8.639 206 HA GLU 23 HA GLU 23 2.363 -9.357 9.833 207 HB2 GLU 23 2HB GLU 23 5.378 -9.736 9.656 208 HB3 GLU 23 3HB GLU 23 4.325 -10.935 10.397 209 HG2 GLU 23 2HG GLU 23 3.227 -11.393 8.302 210 HG3 GLU 23 3HG GLU 23 3.999 -10.010 7.530 211 H LYS 24 H LYS 24 5.147 -7.610 11.180 212 HA LYS 24 HA LYS 24 4.883 -8.280 13.912 213 HB2 LYS 24 2HB LYS 24 6.043 -5.818 12.543 214 HB3 LYS 24 3HB LYS 24 6.205 -6.135 14.267 215 HG2 LYS 24 2HG LYS 24 7.585 -8.067 13.884 216 HG3 LYS 24 3HG LYS 24 7.225 -8.061 12.154 217 HD2 LYS 24 2HD LYS 24 9.516 -7.160 12.694 218 HD3 LYS 24 3HD LYS 24 8.496 -6.013 11.825 219 HE2 LYS 24 2HE LYS 24 7.988 -4.871 13.979 220 HE3 LYS 24 3HE LYS 24 9.056 -5.998 14.813 221 HZ1 LYS 24 3HZ LYS 24 10.126 -3.877 14.325 222 HZ2 LYS 24 1HZ LYS 24 9.904 -4.128 12.670 223 HZ3 LYS 24 2HZ LYS 24 10.909 -5.159 13.554 224 H ALA 25 H ALA 25 3.602 -5.590 12.002 225 HA ALA 25 HA ALA 25 2.149 -4.356 14.183 226 HB1 ALA 25 3HB ALA 25 2.138 -3.767 11.196 227 HB2 ALA 25 1HB ALA 25 3.154 -2.988 12.411 228 HB3 ALA 25 2HB ALA 25 1.405 -2.759 12.448 229 H ASN 26 H ASN 26 1.604 -7.001 12.230 230 HA ASN 26 HA ASN 26 -0.050 -8.476 11.934 231 HB2 ASN 26 2HB ASN 26 -0.447 -8.039 14.394 232 HB3 ASN 26 3HB ASN 26 -1.664 -6.858 13.953 233 HD21 ASN 26 1HD2 ASN 26 -1.217 -10.001 12.345 234 HD22 ASN 26 2HD2 ASN 26 -2.707 -10.673 12.890 235 H LEU 27 H LEU 27 0.064 -5.727 10.544 236 HA LEU 27 HA LEU 27 -2.569 -5.288 9.463 237 HB2 LEU 27 2HB LEU 27 0.129 -4.313 8.430 238 HB3 LEU 27 3HB LEU 27 -1.445 -3.709 7.932 239 HG LEU 27 HG LEU 27 -0.187 -3.380 10.682 240 HD11 LEU 27 1HD1 LEU 27 -0.111 -0.983 10.143 241 HD12 LEU 27 2HD1 LEU 27 -0.745 -1.314 8.528 242 HD13 LEU 27 3HD1 LEU 27 0.836 -1.936 9.001 243 HD21 LEU 27 3HD2 LEU 27 -2.130 -1.979 11.246 244 HD22 LEU 27 1HD2 LEU 27 -2.595 -3.648 10.925 245 HD23 LEU 27 2HD2 LEU 27 -2.888 -2.402 9.709 246 H GLU 28 H GLU 28 -3.302 -5.797 7.367 247 HA GLU 28 HA GLU 28 -2.169 -8.183 6.136 248 HB2 GLU 28 2HB GLU 28 -4.720 -6.599 5.604 249 HB3 GLU 28 3HB GLU 28 -4.219 -7.961 4.608 250 HG2 GLU 28 2HG GLU 28 -5.872 -8.750 6.155 251 HG3 GLU 28 3HG GLU 28 -4.317 -9.421 6.631 252 H LEU 29 H LEU 29 -0.546 -7.900 4.756 253 HA LEU 29 HA LEU 29 -0.424 -5.521 2.997 254 HB2 LEU 29 2HB LEU 29 1.507 -5.746 4.463 255 HB3 LEU 29 3HB LEU 29 1.796 -7.388 3.932 256 HG LEU 29 HG LEU 29 1.871 -5.254 1.793 257 HD11 LEU 29 1HD1 LEU 29 3.081 -4.135 3.591 258 HD12 LEU 29 2HD1 LEU 29 4.175 -4.602 2.292 259 HD13 LEU 29 3HD1 LEU 29 4.127 -5.540 3.789 260 HD21 LEU 29 3HD2 LEU 29 3.639 -7.668 2.323 261 HD22 LEU 29 1HD2 LEU 29 3.751 -6.595 0.924 262 HD23 LEU 29 2HD2 LEU 29 2.311 -7.582 1.162 263 H ARG 30 H ARG 30 -0.843 -5.840 0.936 264 HA ARG 30 HA ARG 30 -0.800 -8.557 -0.244 265 HB2 ARG 30 2HB ARG 30 -2.491 -6.149 -1.064 266 HB3 ARG 30 3HB ARG 30 -2.555 -7.741 -1.789 267 HG2 ARG 30 2HG ARG 30 -3.352 -7.147 1.079 268 HG3 ARG 30 3HG ARG 30 -4.476 -7.202 -0.277 269 HD2 ARG 30 2HD ARG 30 -4.685 -9.307 0.758 270 HD3 ARG 30 3HD ARG 30 -3.666 -9.614 -0.646 271 HE ARG 30 HE ARG 30 -1.739 -9.610 0.900 272 HH11 ARG 30 1HH1 ARG 30 -4.925 -10.259 2.304 273 HH12 ARG 30 2HH1 ARG 30 -4.262 -11.107 3.664 274 HH21 ARG 30 1HH2 ARG 30 -0.922 -10.687 2.704 275 HH22 ARG 30 2HH2 ARG 30 -2.006 -11.345 3.889 276 H THR 31 H THR 31 0.596 -8.785 -1.963 277 HA THR 31 HA THR 31 2.334 -6.553 -2.635 278 HB THR 31 HB THR 31 3.675 -8.243 -3.875 279 HG1 THR 31 HG1 THR 31 2.088 -9.656 -4.622 280 HG21 THR 31 3HG2 THR 31 4.331 -9.649 -1.967 281 HG22 THR 31 1HG2 THR 31 2.821 -9.260 -1.137 282 HG23 THR 31 2HG2 THR 31 4.023 -7.998 -1.422 283 H VAL 32 H VAL 32 1.827 -5.213 -4.216 284 HA VAL 32 HA VAL 32 0.039 -6.008 -6.426 285 HB VAL 32 HB VAL 32 0.838 -3.250 -5.376 286 HG11 VAL 32 1HG1 VAL 32 -0.840 -2.328 -6.920 287 HG12 VAL 32 2HG1 VAL 32 -1.138 -3.936 -7.577 288 HG13 VAL 32 3HG1 VAL 32 0.436 -3.171 -7.800 289 HG21 VAL 32 3HG2 VAL 32 -1.815 -4.726 -5.151 290 HG22 VAL 32 1HG2 VAL 32 -1.507 -3.076 -4.598 291 HG23 VAL 32 2HG2 VAL 32 -0.676 -4.433 -3.835 292 H LYS 33 H LYS 33 0.835 -6.103 -8.469 293 HA LYS 33 HA LYS 33 3.578 -5.169 -9.015 294 HB2 LYS 33 2HB LYS 33 1.837 -7.182 -10.499 295 HB3 LYS 33 3HB LYS 33 3.441 -6.698 -11.024 296 HG2 LYS 33 2HG LYS 33 3.006 -7.955 -8.299 297 HG3 LYS 33 3HG LYS 33 3.153 -8.946 -9.746 298 HD2 LYS 33 2HD LYS 33 5.317 -8.899 -8.757 299 HD3 LYS 33 3HD LYS 33 5.402 -7.844 -10.161 300 HE2 LYS 33 2HE LYS 33 5.124 -5.888 -8.575 301 HE3 LYS 33 3HE LYS 33 5.269 -7.027 -7.242 302 HZ1 LYS 33 3HZ LYS 33 7.456 -7.573 -7.918 303 HZ2 LYS 33 1HZ LYS 33 7.362 -5.893 -7.902 304 HZ3 LYS 33 2HZ LYS 33 7.310 -6.716 -9.366 305 H THR 34 H THR 34 0.623 -5.535 -10.987 306 HA THR 34 HA THR 34 1.221 -3.043 -12.424 307 HB THR 34 HB THR 34 -0.649 -3.802 -13.931 308 HG1 THR 34 HG1 THR 34 -1.311 -6.080 -13.514 309 HG21 THR 34 3HG2 THR 34 1.669 -4.486 -14.454 310 HG22 THR 34 1HG2 THR 34 0.516 -5.745 -14.902 311 HG23 THR 34 2HG2 THR 34 1.479 -5.917 -13.434 312 H GLU 35 H GLU 35 -0.705 -1.630 -12.981 313 HA GLU 35 HA GLU 35 -2.163 -0.744 -10.712 314 HB2 GLU 35 2HB GLU 35 -3.334 0.773 -12.260 315 HB3 GLU 35 3HB GLU 35 -1.596 0.787 -12.548 316 HG2 GLU 35 2HG GLU 35 -1.880 -0.667 -14.506 317 HG3 GLU 35 3HG GLU 35 -3.611 -0.760 -14.202 318 H ASP 36 H ASP 36 -2.813 -3.121 -13.172 319 HA ASP 36 HA ASP 36 -5.565 -3.570 -12.888 320 HB2 ASP 36 2HB ASP 36 -4.235 -4.593 -14.674 321 HB3 ASP 36 3HB ASP 36 -3.272 -5.489 -13.508 322 H GLU 37 H GLU 37 -2.796 -4.865 -11.074 323 HA GLU 37 HA GLU 37 -4.258 -6.496 -9.263 324 HB2 GLU 37 2HB GLU 37 -1.512 -5.219 -8.916 325 HB3 GLU 37 3HB GLU 37 -2.140 -6.566 -7.978 326 HG2 GLU 37 2HG GLU 37 -1.578 -6.622 -10.955 327 HG3 GLU 37 3HG GLU 37 -0.510 -7.258 -9.709 328 H LEU 38 H LEU 38 -3.102 -3.144 -9.180 329 HA LEU 38 HA LEU 38 -3.586 -2.518 -6.488 330 HB2 LEU 38 2HB LEU 38 -2.248 -1.248 -8.341 331 HB3 LEU 38 3HB LEU 38 -3.775 -0.527 -8.788 332 HG LEU 38 HG LEU 38 -2.298 0.937 -7.370 333 HD11 LEU 38 1HD1 LEU 38 -4.940 0.320 -6.036 334 HD12 LEU 38 2HD1 LEU 38 -4.696 1.397 -7.412 335 HD13 LEU 38 3HD1 LEU 38 -3.984 1.795 -5.851 336 HD21 LEU 38 3HD2 LEU 38 -1.294 -0.766 -5.940 337 HD22 LEU 38 1HD2 LEU 38 -2.848 -1.065 -5.161 338 HD23 LEU 38 2HD2 LEU 38 -2.047 0.497 -4.970 339 H LYS 39 H LYS 39 -5.585 -2.029 -9.386 340 HA LYS 39 HA LYS 39 -7.876 -0.906 -8.165 341 HB2 LYS 39 2HB LYS 39 -7.573 -2.440 -10.784 342 HB3 LYS 39 3HB LYS 39 -9.026 -1.564 -10.314 343 HG2 LYS 39 2HG LYS 39 -7.930 0.554 -10.467 344 HG3 LYS 39 3HG LYS 39 -6.337 -0.203 -10.559 345 HD2 LYS 39 2HD LYS 39 -7.024 0.627 -12.772 346 HD3 LYS 39 3HD LYS 39 -6.887 -1.131 -12.781 347 HE2 LYS 39 2HE LYS 39 -9.354 -1.307 -12.569 348 HE3 LYS 39 3HE LYS 39 -9.469 0.455 -12.589 349 HZ1 LYS 39 3HZ LYS 39 -8.558 0.473 -14.810 350 HZ2 LYS 39 1HZ LYS 39 -9.918 -0.528 -14.764 351 HZ3 LYS 39 2HZ LYS 39 -8.367 -1.205 -14.800 352 H LYS 40 H LYS 40 -6.958 -4.242 -8.956 353 HA LYS 40 HA LYS 40 -9.332 -5.641 -8.512 354 HB2 LYS 40 2HB LYS 40 -7.347 -6.639 -9.544 355 HB3 LYS 40 3HB LYS 40 -6.424 -6.432 -8.064 356 HG2 LYS 40 2HG LYS 40 -7.933 -8.092 -6.950 357 HG3 LYS 40 3HG LYS 40 -8.736 -8.359 -8.497 358 HD2 LYS 40 2HD LYS 40 -5.762 -8.824 -8.021 359 HD3 LYS 40 3HD LYS 40 -6.982 -10.085 -7.877 360 HE2 LYS 40 2HE LYS 40 -5.956 -10.326 -10.028 361 HE3 LYS 40 3HE LYS 40 -7.570 -9.681 -10.303 362 HZ1 LYS 40 3HZ LYS 40 -6.585 -7.484 -10.611 363 HZ2 LYS 40 1HZ LYS 40 -5.923 -8.597 -11.691 364 HZ3 LYS 40 2HZ LYS 40 -5.042 -8.110 -10.335 365 H TYR 41 H TYR 41 -6.723 -4.823 -6.262 366 HA TYR 41 HA TYR 41 -7.895 -6.056 -3.966 367 HB2 TYR 41 2HB TYR 41 -5.579 -4.108 -4.275 368 HB3 TYR 41 3HB TYR 41 -6.117 -4.669 -2.691 369 HD1 TYR 41 HD1 TYR 41 -6.515 -7.381 -2.662 370 HD2 TYR 41 HD2 TYR 41 -3.722 -5.321 -5.156 371 HE1 TYR 41 HE1 TYR 41 -5.222 -9.449 -2.926 372 HE2 TYR 41 HE2 TYR 41 -2.425 -7.398 -5.418 373 HH TYR 41 HH TYR 41 -3.666 -10.438 -4.493 374 H LEU 42 H LEU 42 -7.896 -2.724 -5.239 375 HA LEU 42 HA LEU 42 -9.262 -1.484 -3.124 376 HB2 LEU 42 2HB LEU 42 -9.265 -0.843 -6.090 377 HB3 LEU 42 3HB LEU 42 -10.019 0.186 -4.884 378 HG LEU 42 HG LEU 42 -7.042 -0.447 -5.055 379 HD11 LEU 42 1HD1 LEU 42 -8.540 2.117 -5.688 380 HD12 LEU 42 2HD1 LEU 42 -7.786 1.029 -6.857 381 HD13 LEU 42 3HD1 LEU 42 -6.786 1.912 -5.705 382 HD21 LEU 42 3HD2 LEU 42 -7.694 -0.115 -2.720 383 HD22 LEU 42 1HD2 LEU 42 -8.499 1.403 -3.133 384 HD23 LEU 42 2HD2 LEU 42 -6.747 1.253 -3.292 385 H GLU 43 H GLU 43 -10.577 -3.289 -5.929 386 HA GLU 43 HA GLU 43 -13.327 -2.834 -5.461 387 HB2 GLU 43 2HB GLU 43 -11.980 -5.248 -6.746 388 HB3 GLU 43 3HB GLU 43 -13.704 -4.890 -6.836 389 HG2 GLU 43 2HG GLU 43 -13.197 -2.763 -7.994 390 HG3 GLU 43 3HG GLU 43 -11.482 -3.148 -7.931 391 H GLU 44 H GLU 44 -11.118 -5.265 -4.198 392 HA GLU 44 HA GLU 44 -12.955 -6.738 -2.605 393 HB2 GLU 44 2HB GLU 44 -9.940 -6.357 -2.373 394 HB3 GLU 44 3HB GLU 44 -10.855 -7.490 -1.379 395 HG2 GLU 44 2HG GLU 44 -11.423 -8.854 -3.234 396 HG3 GLU 44 3HG GLU 44 -10.960 -7.615 -4.396 397 H PHE 45 H PHE 45 -11.038 -3.818 -1.992 398 HA PHE 45 HA PHE 45 -11.873 -3.511 0.728 399 HB2 PHE 45 2HB PHE 45 -10.709 -1.422 -1.163 400 HB3 PHE 45 3HB PHE 45 -10.802 -1.292 0.591 401 HD1 PHE 45 HD2 PHE 45 -9.917 -4.280 1.115 402 HD2 PHE 45 HD1 PHE 45 -8.319 -1.121 -1.294 403 HE1 PHE 45 HE2 PHE 45 -7.675 -5.279 1.264 404 HE2 PHE 45 HE1 PHE 45 -6.091 -2.140 -1.127 405 HZ PHE 45 HZ PHE 45 -5.764 -4.213 0.145 406 H ARG 46 H ARG 46 -13.329 -2.646 -2.332 407 HA ARG 46 HA ARG 46 -15.006 -0.525 -1.376 408 HB2 ARG 46 2HB ARG 46 -15.122 -2.226 -3.893 409 HB3 ARG 46 3HB ARG 46 -16.362 -1.038 -3.517 410 HG2 ARG 46 2HG ARG 46 -14.234 0.590 -3.314 411 HG3 ARG 46 3HG ARG 46 -13.523 -0.608 -4.397 412 HD2 ARG 46 2HD ARG 46 -14.534 1.253 -5.659 413 HD3 ARG 46 3HD ARG 46 -15.379 -0.265 -5.993 414 HE ARG 46 HE ARG 46 -16.682 1.017 -3.872 415 HH11 ARG 46 1HH1 ARG 46 -16.225 1.569 -7.339 416 HH12 ARG 46 2HH1 ARG 46 -17.720 2.431 -7.497 417 HH21 ARG 46 1HH2 ARG 46 -18.619 2.106 -4.112 418 HH22 ARG 46 2HH2 ARG 46 -19.083 2.736 -5.655 419 H LYS 47 H LYS 47 -15.475 -4.018 -1.880 420 HA LYS 47 HA LYS 47 -18.260 -4.097 -1.339 421 HB2 LYS 47 2HB LYS 47 -18.023 -6.516 -1.213 422 HB3 LYS 47 3HB LYS 47 -16.999 -5.919 -2.513 423 HG2 LYS 47 2HG LYS 47 -15.020 -6.090 -1.010 424 HG3 LYS 47 3HG LYS 47 -16.070 -6.727 0.257 425 HD2 LYS 47 2HD LYS 47 -14.890 -8.563 -0.845 426 HD3 LYS 47 3HD LYS 47 -16.619 -8.676 -1.164 427 HE2 LYS 47 2HE LYS 47 -16.302 -7.795 -3.412 428 HE3 LYS 47 3HE LYS 47 -14.591 -7.503 -3.094 429 HZ1 LYS 47 3HZ LYS 47 -15.899 -10.179 -3.127 430 HZ2 LYS 47 1HZ LYS 47 -14.259 -9.879 -2.851 431 HZ3 LYS 47 2HZ LYS 47 -14.928 -9.539 -4.360 432 H GLU 48 H GLU 48 -15.574 -3.718 0.739 433 HA GLU 48 HA GLU 48 -17.233 -4.088 3.164 434 HB2 GLU 48 2HB GLU 48 -15.197 -4.951 4.323 435 HB3 GLU 48 3HB GLU 48 -15.658 -5.994 2.980 436 HG2 GLU 48 2HG GLU 48 -13.906 -4.891 1.570 437 HG3 GLU 48 3HG GLU 48 -13.425 -3.935 2.967 438 H SER 49 H SER 49 -16.641 -1.659 1.543 439 HA SER 49 HA SER 49 -14.698 -0.113 3.000 440 HB2 SER 49 2HB SER 49 -15.236 0.336 0.593 441 HB3 SER 49 3HB SER 49 -16.815 0.935 1.076 442 HG SER 49 HG SER 49 -15.376 2.651 0.848 443 H GLN 50 H GLN 50 -15.432 -0.519 5.094 444 HA GLN 50 HA GLN 50 -17.501 1.306 6.110 445 HB2 GLN 50 2HB GLN 50 -18.253 -0.530 7.703 446 HB3 GLN 50 3HB GLN 50 -18.727 -0.763 6.029 447 HG2 GLN 50 2HG GLN 50 -16.986 -2.451 5.722 448 HG3 GLN 50 3HG GLN 50 -16.366 -2.147 7.346 449 HE21 GLN 50 1HE2 GLN 50 -17.542 -2.940 9.129 450 HE22 GLN 50 2HE2 GLN 50 -18.756 -4.151 8.955 451 H ASN 51 H ASN 51 -15.794 2.606 6.696 452 HA ASN 51 HA ASN 51 -13.968 3.439 7.704 453 HB2 ASN 51 2HB ASN 51 -14.726 1.480 9.915 454 HB3 ASN 51 3HB ASN 51 -13.476 2.703 10.088 455 HD21 ASN 51 1HD2 ASN 51 -16.893 2.110 9.956 456 HD22 ASN 51 2HD2 ASN 51 -17.396 3.706 10.395 457 H ILE 52 H ILE 52 -12.965 2.402 5.852 458 HA ILE 52 HA ILE 52 -10.860 0.472 6.635 459 HB ILE 52 HB ILE 52 -12.582 -0.585 5.129 460 HG12 ILE 52 2HG1 ILE 52 -9.860 -0.383 3.773 461 HG13 ILE 52 3HG1 ILE 52 -10.169 -1.358 5.204 462 HG21 ILE 52 1HG2 ILE 52 -12.669 -0.011 2.732 463 HG22 ILE 52 2HG2 ILE 52 -11.573 1.342 3.013 464 HG23 ILE 52 3HG2 ILE 52 -13.183 1.349 3.734 465 HD11 ILE 52 3HD1 ILE 52 -11.484 -1.736 2.513 466 HD12 ILE 52 1HD1 ILE 52 -11.753 -2.721 3.955 467 HD13 ILE 52 2HD1 ILE 52 -10.169 -2.698 3.183 468 H LYS 53 H LYS 53 -8.773 0.968 6.007 469 HA LYS 53 HA LYS 53 -8.260 3.374 4.420 470 HB2 LYS 53 2HB LYS 53 -7.259 2.958 7.269 471 HB3 LYS 53 3HB LYS 53 -6.576 4.151 6.163 472 HG2 LYS 53 2HG LYS 53 -8.720 5.312 6.027 473 HG3 LYS 53 3HG LYS 53 -9.478 4.073 7.026 474 HD2 LYS 53 2HD LYS 53 -7.886 4.757 8.894 475 HD3 LYS 53 3HD LYS 53 -7.409 6.129 7.885 476 HE2 LYS 53 2HE LYS 53 -9.747 6.901 7.836 477 HE3 LYS 53 3HE LYS 53 -10.232 5.525 8.826 478 HZ1 LYS 53 3HZ LYS 53 -10.034 7.441 10.187 479 HZ2 LYS 53 1HZ LYS 53 -8.475 7.764 9.625 480 HZ3 LYS 53 2HZ LYS 53 -8.763 6.401 10.581 481 H VAL 54 H VAL 54 -6.620 3.104 3.123 482 HA VAL 54 HA VAL 54 -4.999 0.615 3.284 483 HB VAL 54 HB VAL 54 -5.907 2.074 0.758 484 HG11 VAL 54 1HG1 VAL 54 -3.861 0.762 0.433 485 HG12 VAL 54 2HG1 VAL 54 -5.216 0.021 -0.425 486 HG13 VAL 54 3HG1 VAL 54 -4.654 -0.668 1.099 487 HG21 VAL 54 3HG2 VAL 54 -7.876 1.183 1.947 488 HG22 VAL 54 1HG2 VAL 54 -7.131 -0.417 1.996 489 HG23 VAL 54 2HG2 VAL 54 -7.586 0.298 0.447 490 H LEU 55 H LEU 55 -2.818 0.823 3.079 491 HA LEU 55 HA LEU 55 -1.632 3.499 2.592 492 HB2 LEU 55 2HB LEU 55 -1.219 2.552 4.842 493 HB3 LEU 55 3HB LEU 55 -0.578 1.084 4.123 494 HG LEU 55 HG LEU 55 1.276 2.520 3.095 495 HD11 LEU 55 1HD1 LEU 55 0.236 4.715 3.253 496 HD12 LEU 55 2HD1 LEU 55 1.785 4.683 4.090 497 HD13 LEU 55 3HD1 LEU 55 0.283 4.633 5.018 498 HD21 LEU 55 3HD2 LEU 55 2.620 2.541 5.124 499 HD22 LEU 55 1HD2 LEU 55 1.650 1.071 5.019 500 HD23 LEU 55 2HD2 LEU 55 1.167 2.371 6.111 501 H ILE 56 H ILE 56 -1.000 3.571 0.462 502 HA ILE 56 HA ILE 56 -0.024 1.095 -0.836 503 HB ILE 56 HB ILE 56 -0.978 3.676 -2.176 504 HG12 ILE 56 2HG1 ILE 56 -2.386 0.975 -1.901 505 HG13 ILE 56 3HG1 ILE 56 -2.841 2.451 -1.064 506 HG21 ILE 56 1HG2 ILE 56 -0.244 0.986 -3.404 507 HG22 ILE 56 2HG2 ILE 56 0.704 2.468 -3.532 508 HG23 ILE 56 3HG2 ILE 56 -0.888 2.373 -4.286 509 HD11 ILE 56 3HD1 ILE 56 -2.977 2.000 -4.043 510 HD12 ILE 56 1HD1 ILE 56 -3.430 3.483 -3.196 511 HD13 ILE 56 2HD1 ILE 56 -4.326 1.993 -2.907 512 H LEU 57 H LEU 57 2.155 0.933 -0.668 513 HA LEU 57 HA LEU 57 3.888 3.320 -0.785 514 HB2 LEU 57 2HB LEU 57 4.604 0.391 -0.247 515 HB3 LEU 57 3HB LEU 57 5.757 1.710 -0.300 516 HG LEU 57 HG LEU 57 5.445 1.252 1.998 517 HD11 LEU 57 1HD1 LEU 57 4.486 3.272 2.947 518 HD12 LEU 57 2HD1 LEU 57 3.691 3.643 1.415 519 HD13 LEU 57 3HD1 LEU 57 5.454 3.636 1.518 520 HD21 LEU 57 3HD2 LEU 57 2.439 1.295 1.610 521 HD22 LEU 57 1HD2 LEU 57 3.293 1.045 3.136 522 HD23 LEU 57 2HD2 LEU 57 3.441 -0.141 1.841 523 H VAL 58 H VAL 58 4.419 3.895 -2.791 524 HA VAL 58 HA VAL 58 4.300 1.923 -4.991 525 HB VAL 58 HB VAL 58 4.037 3.822 -6.491 526 HG11 VAL 58 1HG1 VAL 58 2.159 4.077 -4.113 527 HG12 VAL 58 2HG1 VAL 58 2.001 2.932 -5.444 528 HG13 VAL 58 3HG1 VAL 58 1.841 4.658 -5.752 529 HG21 VAL 58 3HG2 VAL 58 3.904 6.134 -5.712 530 HG22 VAL 58 1HG2 VAL 58 5.474 5.450 -5.308 531 HG23 VAL 58 2HG2 VAL 58 4.241 5.632 -4.058 532 H SER 59 H SER 59 5.848 2.293 -6.776 533 HA SER 59 HA SER 59 8.541 2.345 -5.791 534 HB2 SER 59 2HB SER 59 7.755 0.740 -7.552 535 HB3 SER 59 3HB SER 59 7.558 2.090 -8.670 536 HG SER 59 HG SER 59 10.036 1.597 -7.393 537 H ASN 60 H ASN 60 6.808 4.301 -8.278 538 HA ASN 60 HA ASN 60 8.694 6.548 -7.791 539 HB2 ASN 60 2HB ASN 60 7.778 5.614 -10.551 540 HB3 ASN 60 3HB ASN 60 8.853 6.969 -10.216 541 HD21 ASN 60 1HD2 ASN 60 8.541 3.504 -10.225 542 HD22 ASN 60 2HD2 ASN 60 10.199 3.131 -10.216 543 H ASP 61 H ASP 61 7.890 8.449 -9.300 544 HA ASP 61 HA ASP 61 5.692 9.583 -8.038 545 HB2 ASP 61 2HB ASP 61 6.889 10.475 -10.695 546 HB3 ASP 61 3HB ASP 61 5.965 11.476 -9.583 547 H GLU 62 H GLU 62 5.803 7.896 -11.178 548 HA GLU 62 HA GLU 62 3.226 8.787 -12.069 549 HB2 GLU 62 2HB GLU 62 4.909 7.938 -13.693 550 HB3 GLU 62 3HB GLU 62 4.770 6.321 -13.004 551 HG2 GLU 62 2HG GLU 62 2.422 6.187 -13.698 552 HG3 GLU 62 3HG GLU 62 2.466 7.841 -14.286 553 H GLU 63 H GLU 63 4.408 5.854 -10.444 554 HA GLU 63 HA GLU 63 1.934 4.490 -10.280 555 HB2 GLU 63 2HB GLU 63 4.393 4.249 -8.485 556 HB3 GLU 63 3HB GLU 63 3.010 3.162 -8.434 557 HG2 GLU 63 2HG GLU 63 4.676 2.011 -9.641 558 HG3 GLU 63 3HG GLU 63 3.540 2.552 -10.847 559 H LEU 64 H LEU 64 3.525 6.857 -8.166 560 HA LEU 64 HA LEU 64 1.854 6.875 -5.947 561 HB2 LEU 64 2HB LEU 64 3.962 8.152 -6.085 562 HB3 LEU 64 3HB LEU 64 3.275 9.200 -7.314 563 HG LEU 64 HG LEU 64 1.570 9.958 -5.542 564 HD11 LEU 64 1HD1 LEU 64 1.792 8.117 -3.980 565 HD12 LEU 64 2HD1 LEU 64 2.164 9.644 -3.188 566 HD13 LEU 64 3HD1 LEU 64 3.472 8.551 -3.656 567 HD21 LEU 64 3HD2 LEU 64 4.490 10.597 -5.035 568 HD22 LEU 64 1HD2 LEU 64 3.108 11.561 -4.503 569 HD23 LEU 64 2HD2 LEU 64 3.442 11.375 -6.223 570 H ASP 65 H ASP 65 1.683 9.039 -8.786 571 HA ASP 65 HA ASP 65 -0.662 10.385 -8.040 572 HB2 ASP 65 2HB ASP 65 1.055 11.255 -9.663 573 HB3 ASP 65 3HB ASP 65 0.488 10.089 -10.851 574 H LYS 66 H LYS 66 -0.112 7.533 -10.066 575 HA LYS 66 HA LYS 66 -2.727 7.390 -11.191 576 HB2 LYS 66 2HB LYS 66 -0.692 6.385 -12.260 577 HB3 LYS 66 3HB LYS 66 -0.635 5.175 -10.983 578 HG2 LYS 66 2HG LYS 66 -1.640 4.304 -13.077 579 HG3 LYS 66 3HG LYS 66 -2.778 4.242 -11.725 580 HD2 LYS 66 2HD LYS 66 -3.932 6.230 -12.543 581 HD3 LYS 66 3HD LYS 66 -2.727 6.463 -13.812 582 HE2 LYS 66 2HE LYS 66 -4.529 4.030 -13.617 583 HE3 LYS 66 3HE LYS 66 -4.891 5.455 -14.588 584 HZ1 LYS 66 3HZ LYS 66 -3.876 3.677 -15.887 585 HZ2 LYS 66 1HZ LYS 66 -2.491 3.742 -14.923 586 HZ3 LYS 66 2HZ LYS 66 -2.910 5.068 -15.883 587 H ALA 67 H ALA 67 -1.129 5.683 -8.457 588 HA ALA 67 HA ALA 67 -3.299 3.977 -7.829 589 HB1 ALA 67 3HB ALA 67 -1.018 3.551 -7.032 590 HB2 ALA 67 1HB ALA 67 -2.165 3.590 -5.694 591 HB3 ALA 67 2HB ALA 67 -1.102 4.971 -5.986 592 H LYS 68 H LYS 68 -2.500 7.288 -6.867 593 HA LYS 68 HA LYS 68 -4.599 7.631 -4.972 594 HB2 LYS 68 2HB LYS 68 -3.098 9.685 -6.644 595 HB3 LYS 68 3HB LYS 68 -4.222 10.094 -5.349 596 HG2 LYS 68 2HG LYS 68 -2.742 8.833 -3.746 597 HG3 LYS 68 3HG LYS 68 -1.586 8.606 -5.057 598 HD2 LYS 68 2HD LYS 68 -2.488 11.276 -3.909 599 HD3 LYS 68 3HD LYS 68 -0.933 10.502 -3.616 600 HE2 LYS 68 2HE LYS 68 -0.247 10.828 -5.900 601 HE3 LYS 68 3HE LYS 68 -1.870 11.327 -6.385 602 HZ1 LYS 68 3HZ LYS 68 -0.460 13.247 -6.153 603 HZ2 LYS 68 1HZ LYS 68 -0.040 12.809 -4.575 604 HZ3 LYS 68 2HZ LYS 68 -1.625 13.276 -4.928 605 H GLU 69 H GLU 69 -4.403 8.231 -8.510 606 HA GLU 69 HA GLU 69 -6.914 9.437 -8.900 607 HB2 GLU 69 2HB GLU 69 -5.307 7.620 -10.741 608 HB3 GLU 69 3HB GLU 69 -6.767 8.448 -11.265 609 HG2 GLU 69 2HG GLU 69 -4.239 9.794 -10.285 610 HG3 GLU 69 3HG GLU 69 -4.706 9.606 -11.970 611 H LEU 70 H LEU 70 -5.995 6.022 -8.927 612 HA LEU 70 HA LEU 70 -8.487 4.862 -9.504 613 HB2 LEU 70 2HB LEU 70 -6.149 3.695 -7.926 614 HB3 LEU 70 3HB LEU 70 -7.447 2.766 -8.656 615 HG LEU 70 HG LEU 70 -5.409 4.411 -10.214 616 HD11 LEU 70 1HD1 LEU 70 -4.425 2.258 -10.916 617 HD12 LEU 70 2HD1 LEU 70 -5.509 1.408 -9.812 618 HD13 LEU 70 3HD1 LEU 70 -4.298 2.518 -9.175 619 HD21 LEU 70 3HD2 LEU 70 -7.538 2.506 -11.221 620 HD22 LEU 70 1HD2 LEU 70 -6.300 3.281 -12.211 621 HD23 LEU 70 2HD2 LEU 70 -7.525 4.261 -11.407 622 H ALA 71 H ALA 71 -6.824 5.492 -6.400 623 HA ALA 71 HA ALA 71 -8.668 4.485 -4.583 624 HB1 ALA 71 3HB ALA 71 -6.382 5.154 -4.014 625 HB2 ALA 71 1HB ALA 71 -7.541 5.941 -2.945 626 HB3 ALA 71 2HB ALA 71 -6.795 6.851 -4.264 627 H GLN 72 H GLN 72 -8.523 7.719 -6.041 628 HA GLN 72 HA GLN 72 -10.592 8.942 -4.537 629 HB2 GLN 72 2HB GLN 72 -9.436 9.613 -7.276 630 HB3 GLN 72 3HB GLN 72 -10.582 10.646 -6.426 631 HG2 GLN 72 2HG GLN 72 -8.987 11.023 -4.623 632 HG3 GLN 72 3HG GLN 72 -7.859 9.868 -5.335 633 HE21 GLN 72 1HE2 GLN 72 -6.729 10.469 -7.235 634 HE22 GLN 72 2HE2 GLN 72 -6.564 12.118 -7.712 635 H LYS 73 H LYS 73 -10.562 7.245 -7.674 636 HA LYS 73 HA LYS 73 -13.360 7.723 -8.215 637 HB2 LYS 73 2HB LYS 73 -11.454 5.738 -9.515 638 HB3 LYS 73 3HB LYS 73 -13.045 6.170 -10.126 639 HG2 LYS 73 2HG LYS 73 -10.657 8.017 -9.891 640 HG3 LYS 73 3HG LYS 73 -11.278 7.306 -11.375 641 HD2 LYS 73 2HD LYS 73 -12.767 9.300 -9.622 642 HD3 LYS 73 3HD LYS 73 -11.925 9.681 -11.123 643 HE2 LYS 73 2HE LYS 73 -13.475 8.203 -12.368 644 HE3 LYS 73 3HE LYS 73 -14.327 7.841 -10.863 645 HZ1 LYS 73 3HZ LYS 73 -14.092 10.512 -12.148 646 HZ2 LYS 73 1HZ LYS 73 -14.844 10.214 -10.664 647 HZ3 LYS 73 2HZ LYS 73 -15.480 9.549 -12.079 648 H MET 74 H MET 74 -11.586 5.309 -6.458 649 HA MET 74 HA MET 74 -13.788 3.414 -6.266 650 HB2 MET 74 2HB MET 74 -11.066 3.559 -4.907 651 HB3 MET 74 3HB MET 74 -12.244 2.302 -4.563 652 HG2 MET 74 2HG MET 74 -11.126 2.791 -7.318 653 HG3 MET 74 3HG MET 74 -10.418 1.673 -6.158 654 HE1 MET 74 3HE MET 74 -10.597 -0.504 -7.613 655 HE2 MET 74 1HE MET 74 -11.060 0.565 -8.939 656 HE3 MET 74 2HE MET 74 -12.010 -0.880 -8.599 657 H GLU 75 H GLU 75 -12.910 6.320 -4.786 658 HA GLU 75 HA GLU 75 -13.551 7.523 -2.968 659 HB2 GLU 75 2HB GLU 75 -15.935 5.625 -3.012 660 HB3 GLU 75 3HB GLU 75 -15.874 7.132 -2.105 661 HG2 GLU 75 2HG GLU 75 -15.678 8.399 -4.214 662 HG3 GLU 75 3HG GLU 75 -15.740 6.892 -5.128 663 H ILE 76 H ILE 76 -11.786 5.237 -2.398 664 HA ILE 76 HA ILE 76 -12.568 4.385 0.330 665 HB ILE 76 HB ILE 76 -10.193 3.429 -1.343 666 HG12 ILE 76 2HG1 ILE 76 -12.858 1.989 -0.959 667 HG13 ILE 76 3HG1 ILE 76 -12.423 2.888 -2.407 668 HG21 ILE 76 1HG2 ILE 76 -11.440 2.211 1.158 669 HG22 ILE 76 2HG2 ILE 76 -9.898 3.073 1.093 670 HG23 ILE 76 3HG2 ILE 76 -10.083 1.536 0.248 671 HD11 ILE 76 3HD1 ILE 76 -12.131 0.500 -2.698 672 HD12 ILE 76 1HD1 ILE 76 -10.975 0.458 -1.368 673 HD13 ILE 76 2HD1 ILE 76 -10.598 1.354 -2.842 674 H ASP 77 H ASP 77 -11.333 4.992 2.136 675 HA ASP 77 HA ASP 77 -9.743 7.372 2.017 676 HB2 ASP 77 2HB ASP 77 -10.058 5.402 4.331 677 HB3 ASP 77 3HB ASP 77 -9.427 7.040 4.452 678 H VAL 78 H VAL 78 -7.828 7.157 0.924 679 HA VAL 78 HA VAL 78 -5.996 4.953 1.679 680 HB VAL 78 HB VAL 78 -6.415 6.156 -1.095 681 HG11 VAL 78 1HG1 VAL 78 -4.025 5.698 -0.748 682 HG12 VAL 78 2HG1 VAL 78 -4.716 4.539 -1.886 683 HG13 VAL 78 3HG1 VAL 78 -4.401 4.057 -0.217 684 HG21 VAL 78 3HG2 VAL 78 -8.166 4.537 -0.465 685 HG22 VAL 78 1HG2 VAL 78 -6.933 3.344 -0.048 686 HG23 VAL 78 2HG2 VAL 78 -7.131 3.861 -1.725 687 H ARG 79 H ARG 79 -3.989 5.448 2.154 688 HA ARG 79 HA ARG 79 -2.905 8.172 1.932 689 HB2 ARG 79 2HB ARG 79 -3.254 7.308 4.252 690 HB3 ARG 79 3HB ARG 79 -2.296 5.883 3.873 691 HG2 ARG 79 2HG ARG 79 -0.966 7.404 5.195 692 HG3 ARG 79 3HG ARG 79 -0.301 7.348 3.561 693 HD2 ARG 79 2HD ARG 79 -1.411 9.486 3.028 694 HD3 ARG 79 3HD ARG 79 -2.110 9.538 4.654 695 HE ARG 79 HE ARG 79 0.620 9.288 5.005 696 HH11 ARG 79 1HH1 ARG 79 -1.497 11.690 3.526 697 HH12 ARG 79 2HH1 ARG 79 -0.422 13.004 3.853 698 HH21 ARG 79 1HH2 ARG 79 2.004 11.030 5.443 699 HH22 ARG 79 2HH2 ARG 79 1.568 12.630 4.944 700 H THR 80 H THR 80 -1.592 8.169 0.097 701 HA THR 80 HA THR 80 -0.171 5.676 -0.670 702 HB THR 80 HB THR 80 -0.964 7.988 -2.500 703 HG1 THR 80 HG1 THR 80 -2.222 5.446 -2.430 704 HG21 THR 80 3HG2 THR 80 0.942 6.625 -3.343 705 HG22 THR 80 1HG2 THR 80 -0.503 6.421 -4.338 706 HG23 THR 80 2HG2 THR 80 -0.045 5.171 -3.180 707 H ARG 81 H ARG 81 1.982 5.741 -0.414 708 HA ARG 81 HA ARG 81 3.413 8.348 -0.292 709 HB2 ARG 81 2HB ARG 81 4.058 5.801 1.275 710 HB3 ARG 81 3HB ARG 81 4.914 7.329 1.383 711 HG2 ARG 81 2HG ARG 81 2.074 6.798 2.298 712 HG3 ARG 81 3HG ARG 81 3.490 7.015 3.326 713 HD2 ARG 81 2HD ARG 81 2.137 9.094 1.586 714 HD3 ARG 81 3HD ARG 81 2.250 9.067 3.349 715 HE ARG 81 HE ARG 81 4.857 9.110 2.514 716 HH11 ARG 81 1HH1 ARG 81 2.093 11.238 1.956 717 HH12 ARG 81 2HH1 ARG 81 3.082 12.652 1.757 718 HH21 ARG 81 1HH2 ARG 81 6.121 10.953 2.168 719 HH22 ARG 81 2HH2 ARG 81 5.364 12.487 1.874 720 H LYS 82 H LYS 82 5.137 8.541 -1.687 721 HA LYS 82 HA LYS 82 6.011 6.305 -3.317 722 HB2 LYS 82 2HB LYS 82 5.792 8.511 -4.387 723 HB3 LYS 82 3HB LYS 82 6.896 9.227 -3.213 724 HG2 LYS 82 2HG LYS 82 8.666 7.591 -4.088 725 HG3 LYS 82 3HG LYS 82 7.555 7.247 -5.414 726 HD2 LYS 82 2HD LYS 82 7.679 9.544 -6.194 727 HD3 LYS 82 3HD LYS 82 8.573 10.036 -4.749 728 HE2 LYS 82 2HE LYS 82 10.414 8.480 -5.446 729 HE3 LYS 82 3HE LYS 82 9.544 8.196 -6.952 730 HZ1 LYS 82 3HZ LYS 82 11.241 9.868 -7.247 731 HZ2 LYS 82 1HZ LYS 82 10.591 10.809 -6.006 732 HZ3 LYS 82 2HZ LYS 82 9.719 10.580 -7.429 733 H VAL 83 H VAL 83 7.646 5.008 -2.750 734 HA VAL 83 HA VAL 83 9.775 6.004 -0.954 735 HB VAL 83 HB VAL 83 9.968 3.719 0.032 736 HG11 VAL 83 1HG1 VAL 83 8.710 5.428 1.250 737 HG12 VAL 83 2HG1 VAL 83 7.972 3.847 1.496 738 HG13 VAL 83 3HG1 VAL 83 7.230 5.000 0.386 739 HG21 VAL 83 3HG2 VAL 83 8.144 2.062 -0.271 740 HG22 VAL 83 1HG2 VAL 83 8.981 2.392 -1.791 741 HG23 VAL 83 2HG2 VAL 83 7.397 3.104 -1.483 742 H THR 84 H THR 84 11.769 5.689 -1.631 743 HA THR 84 HA THR 84 12.353 3.894 -3.919 744 HB THR 84 HB THR 84 14.299 5.479 -4.386 745 HG1 THR 84 HG1 THR 84 14.634 6.769 -2.718 746 HG21 THR 84 3HG2 THR 84 12.964 7.229 -5.506 747 HG22 THR 84 1HG2 THR 84 11.545 6.775 -4.560 748 HG23 THR 84 2HG2 THR 84 12.218 5.646 -5.739 749 H SER 85 H SER 85 12.387 3.699 -0.815 750 HA SER 85 HA SER 85 14.899 2.260 -0.548 751 HB2 SER 85 2HB SER 85 14.128 4.560 1.314 752 HB3 SER 85 3HB SER 85 15.485 3.463 1.565 753 HG SER 85 HG SER 85 16.084 4.278 -0.687 754 HA PRO 86 HA PRO 86 12.035 -0.516 1.429 755 HB2 PRO 86 2HB PRO 86 13.772 -2.003 3.028 756 HB3 PRO 86 3HB PRO 86 13.585 -2.215 1.276 757 HG2 PRO 86 2HG PRO 86 15.682 -0.655 2.749 758 HG3 PRO 86 3HG PRO 86 15.864 -1.758 1.364 759 HD2 PRO 86 2HD PRO 86 15.857 0.907 1.006 760 HD3 PRO 86 3HD PRO 86 15.085 -0.175 -0.176 761 H ASP 87 H ASP 87 14.324 1.100 3.651 762 HA ASP 87 HA ASP 87 12.763 0.506 5.994 763 HB2 ASP 87 2HB ASP 87 15.067 2.474 5.690 764 HB3 ASP 87 3HB ASP 87 14.353 1.982 7.222 765 H GLU 88 H GLU 88 12.783 3.161 3.712 766 HA GLU 88 HA GLU 88 11.174 4.994 5.166 767 HB2 GLU 88 2HB GLU 88 11.378 4.517 2.160 768 HB3 GLU 88 3HB GLU 88 10.485 5.852 2.877 769 HG2 GLU 88 2HG GLU 88 13.466 5.383 3.126 770 HG3 GLU 88 3HG GLU 88 12.694 6.556 2.065 771 H ALA 89 H ALA 89 10.385 2.302 2.989 772 HA ALA 89 HA ALA 89 7.556 2.544 3.026 773 HB1 ALA 89 3HB ALA 89 7.546 0.295 2.032 774 HB2 ALA 89 1HB ALA 89 9.251 0.085 2.456 775 HB3 ALA 89 2HB ALA 89 8.778 1.304 1.275 776 H LYS 90 H LYS 90 9.862 0.649 4.943 777 HA LYS 90 HA LYS 90 8.092 -0.865 6.500 778 HB2 LYS 90 2HB LYS 90 10.915 0.132 7.037 779 HB3 LYS 90 3HB LYS 90 10.089 -1.052 8.040 780 HG2 LYS 90 2HG LYS 90 10.066 -2.677 6.249 781 HG3 LYS 90 3HG LYS 90 10.641 -1.476 5.088 782 HD2 LYS 90 2HD LYS 90 12.498 -2.940 5.741 783 HD3 LYS 90 3HD LYS 90 12.788 -1.309 6.326 784 HE2 LYS 90 2HE LYS 90 12.098 -1.986 8.581 785 HE3 LYS 90 3HE LYS 90 11.731 -3.609 7.993 786 HZ1 LYS 90 3HZ LYS 90 13.895 -3.506 9.064 787 HZ2 LYS 90 1HZ LYS 90 14.424 -2.344 7.951 788 HZ3 LYS 90 2HZ LYS 90 14.046 -3.909 7.433 789 H ARG 91 H ARG 91 9.603 2.338 6.985 790 HA ARG 91 HA ARG 91 8.678 2.779 9.591 791 HB2 ARG 91 2HB ARG 91 10.485 4.173 8.620 792 HB3 ARG 91 3HB ARG 91 9.330 4.912 7.507 793 HG2 ARG 91 2HG ARG 91 8.038 5.753 9.493 794 HG3 ARG 91 3HG ARG 91 9.293 5.103 10.542 795 HD2 ARG 91 2HD ARG 91 10.918 6.683 9.656 796 HD3 ARG 91 3HD ARG 91 9.754 7.251 8.445 797 HE ARG 91 HE ARG 91 8.554 7.531 10.947 798 HH11 ARG 91 1HH1 ARG 91 11.294 8.979 9.267 799 HH12 ARG 91 2HH1 ARG 91 11.165 10.481 10.120 800 HH21 ARG 91 1HH2 ARG 91 8.382 9.497 12.036 801 HH22 ARG 91 2HH2 ARG 91 9.504 10.776 11.701 802 H TRP 92 H TRP 92 7.273 3.894 6.417 803 HA TRP 92 HA TRP 92 5.087 5.202 7.452 804 HB2 TRP 92 2HB TRP 92 5.365 3.696 4.831 805 HB3 TRP 92 3HB TRP 92 3.953 4.672 5.219 806 HD1 TRP 92 HD1 TRP 92 6.785 4.999 3.138 807 HE1 TRP 92 HE1 TRP 92 7.535 7.432 2.814 808 HE3 TRP 92 HE3 TRP 92 4.346 7.156 7.091 809 HZ2 TRP 92 HZ2 TRP 92 7.157 9.918 4.042 810 HZ3 TRP 92 HZ3 TRP 92 4.596 9.580 7.437 811 HH2 TRP 92 HH2 TRP 92 5.976 10.935 5.942 812 H ILE 93 H ILE 93 5.469 1.705 7.048 813 HA ILE 93 HA ILE 93 2.724 0.995 7.466 814 HB ILE 93 HB ILE 93 5.295 -0.618 7.771 815 HG12 ILE 93 2HG1 ILE 93 3.199 -0.599 5.550 816 HG13 ILE 93 3HG1 ILE 93 4.787 0.153 5.461 817 HG21 ILE 93 1HG2 ILE 93 3.559 -1.644 9.194 818 HG22 ILE 93 2HG2 ILE 93 3.911 -2.667 7.802 819 HG23 ILE 93 3HG2 ILE 93 2.445 -1.684 7.824 820 HD11 ILE 93 3HD1 ILE 93 5.838 -2.040 5.640 821 HD12 ILE 93 1HD1 ILE 93 4.745 -1.931 4.260 822 HD13 ILE 93 2HD1 ILE 93 4.241 -2.799 5.709 823 H LYS 94 H LYS 94 5.618 1.143 9.564 824 HA LYS 94 HA LYS 94 4.507 0.516 12.031 825 HB2 LYS 94 2HB LYS 94 6.947 0.782 11.527 826 HB3 LYS 94 3HB LYS 94 6.726 2.525 11.462 827 HG2 LYS 94 2HG LYS 94 5.981 2.437 13.885 828 HG3 LYS 94 3HG LYS 94 6.421 0.727 13.887 829 HD2 LYS 94 2HD LYS 94 8.238 2.035 14.852 830 HD3 LYS 94 3HD LYS 94 8.768 1.345 13.315 831 HE2 LYS 94 2HE LYS 94 9.512 3.682 13.556 832 HE3 LYS 94 3HE LYS 94 8.388 3.524 12.205 833 HZ1 LYS 94 3HZ LYS 94 7.870 5.479 13.489 834 HZ2 LYS 94 1HZ LYS 94 7.765 4.577 14.916 835 HZ3 LYS 94 2HZ LYS 94 6.623 4.360 13.694 836 H GLU 95 H GLU 95 4.738 3.678 10.386 837 HA GLU 95 HA GLU 95 3.701 5.338 12.408 838 HB2 GLU 95 2HB GLU 95 3.548 5.698 9.376 839 HB3 GLU 95 3HB GLU 95 3.221 6.958 10.553 840 HG2 GLU 95 2HG GLU 95 5.887 5.612 10.073 841 HG3 GLU 95 3HG GLU 95 5.425 7.221 9.542 842 H PHE 96 H PHE 96 2.148 3.881 9.573 843 HA PHE 96 HA PHE 96 -0.465 4.794 9.837 844 HB2 PHE 96 2HB PHE 96 0.679 3.693 7.853 845 HB3 PHE 96 3HB PHE 96 0.458 2.141 8.640 846 HD1 PHE 96 HD1 PHE 96 -1.557 5.127 7.542 847 HD2 PHE 96 HD2 PHE 96 -1.411 0.865 7.976 848 HE1 PHE 96 HE1 PHE 96 -3.717 4.927 6.373 849 HE2 PHE 96 HE2 PHE 96 -3.572 0.684 6.814 850 HZ PHE 96 HZ PHE 96 -4.718 2.709 6.015 851 H SER 97 H SER 97 1.134 2.092 11.382 852 HA SER 97 HA SER 97 -1.229 0.802 12.405 853 HB2 SER 97 2HB SER 97 0.824 -0.452 11.792 854 HB3 SER 97 3HB SER 97 1.708 0.364 13.083 855 HG SER 97 HG SER 97 -0.299 -1.592 13.220 856 H GLU 98 H GLU 98 1.385 2.866 13.756 857 HA GLU 98 HA GLU 98 0.524 2.867 16.479 858 HB2 GLU 98 2HB GLU 98 2.212 4.887 14.934 859 HB3 GLU 98 3HB GLU 98 2.010 4.900 16.684 860 HG2 GLU 98 2HG GLU 98 3.190 2.803 16.919 861 HG3 GLU 98 3HG GLU 98 3.218 2.555 15.174 862 H GLU 99 H GLU 99 -0.125 4.946 13.723 863 HA GLU 99 HA GLU 99 -1.747 6.884 15.042 864 HB2 GLU 99 2HB GLU 99 -1.601 6.065 12.102 865 HB3 GLU 99 3HB GLU 99 -2.461 7.478 12.700 866 HG2 GLU 99 2HG GLU 99 0.524 7.018 12.894 867 HG3 GLU 99 3HG GLU 99 -0.279 8.069 11.736 868 H GLY 100 H GLY 100 -2.323 3.682 13.753 869 HA2 GLY 100 2HA GLY 100 -4.185 2.366 13.486 870 HA3 GLY 100 3HA GLY 100 -4.963 3.380 14.699 871 H GLY 101 H GLY 101 -3.701 4.175 11.469 872 HA2 GLY 101 2HA GLY 101 -4.650 5.246 9.665 873 HA3 GLY 101 3HA GLY 101 -6.245 4.860 10.305 874 H SER 102 H SER 102 -5.248 7.386 9.139 875 HA SER 102 HA SER 102 -5.093 9.337 11.242 876 HB2 SER 102 2HB SER 102 -5.458 10.973 9.294 877 HB3 SER 102 3HB SER 102 -4.044 9.924 9.168 878 HG SER 102 HG SER 102 -6.525 9.713 7.807 879 H LEU 103 H LEU 103 -6.856 8.866 12.573 880 HA LEU 103 HA LEU 103 -9.548 8.547 11.695 881 HB2 LEU 103 2HB LEU 103 -8.441 9.051 14.482 882 HB3 LEU 103 3HB LEU 103 -10.098 8.577 14.142 883 HG LEU 103 HG LEU 103 -7.653 6.875 13.503 884 HD11 LEU 103 1HD1 LEU 103 -9.613 6.580 15.798 885 HD12 LEU 103 2HD1 LEU 103 -7.936 7.118 15.919 886 HD13 LEU 103 3HD1 LEU 103 -8.293 5.473 15.401 887 HD21 LEU 103 3HD2 LEU 103 -10.607 6.168 13.355 888 HD22 LEU 103 1HD2 LEU 103 -9.262 5.044 13.132 889 HD23 LEU 103 2HD2 LEU 103 -9.500 6.364 11.993 890 H GLU 104 H GLU 104 -8.643 11.010 14.137 891 HA GLU 104 HA GLU 104 -10.808 12.710 13.357 892 HB2 GLU 104 2HB GLU 104 -10.017 14.200 15.158 893 HB3 GLU 104 3HB GLU 104 -10.117 12.529 15.699 894 HG2 GLU 104 2HG GLU 104 -7.657 12.305 15.427 895 HG3 GLU 104 3HG GLU 104 -7.569 13.990 14.925 896 H HIS 105 H HIS 105 -7.523 12.506 12.368 897 HA HIS 105 HA HIS 105 -7.163 15.215 11.496 898 HB2 HIS 105 2HB HIS 105 -5.623 12.652 11.015 899 HB3 HIS 105 3HB HIS 105 -5.166 14.151 10.212 900 HD1 HIS 105 HD1 HIS 105 -3.385 15.378 11.432 901 HD2 HIS 105 HD2 HIS 105 -5.755 13.193 14.044 902 HE1 HIS 105 HE1 HIS 105 -2.454 15.816 13.720 903 HE2 HIS 105 HE2 HIS 105 -3.798 14.350 15.250 904 H HIS 106 H HIS 106 -9.111 12.797 10.214 905 HA HIS 106 HA HIS 106 -9.041 13.665 7.447 906 HB2 HIS 106 2HB HIS 106 -9.735 11.377 8.057 907 HB3 HIS 106 3HB HIS 106 -11.091 12.010 8.979 908 HD1 HIS 106 HD1 HIS 106 -13.221 11.731 7.734 909 HD2 HIS 106 HD2 HIS 106 -10.026 12.359 5.143 910 HE1 HIS 106 HE1 HIS 106 -14.184 11.609 5.421 911 HE2 HIS 106 HE2 HIS 106 -12.243 11.962 3.877 912 H HIS 107 H HIS 107 -10.994 14.332 10.329 913 HA HIS 107 HA HIS 107 -12.683 16.315 9.032 914 HB2 HIS 107 2HB HIS 107 -13.623 14.930 10.816 915 HB3 HIS 107 3HB HIS 107 -12.403 15.486 11.951 916 HD1 HIS 107 HD1 HIS 107 -13.496 16.976 13.609 917 HD2 HIS 107 HD2 HIS 107 -15.087 17.547 9.809 918 HE1 HIS 107 HE1 HIS 107 -15.198 18.802 13.852 919 HE2 HIS 107 HE2 HIS 107 -16.306 18.947 11.605 920 H HIS 108 H HIS 108 -9.556 16.332 10.321 921 HA HIS 108 HA HIS 108 -9.279 18.911 11.419 922 HB2 HIS 108 2HB HIS 108 -7.541 17.156 11.584 923 HB3 HIS 108 3HB HIS 108 -7.262 17.238 9.847 924 HD1 HIS 108 HD1 HIS 108 -5.715 19.093 8.985 925 HD2 HIS 108 HD2 HIS 108 -6.499 19.381 13.061 926 HE1 HIS 108 HE1 HIS 108 -4.110 20.816 9.868 927 HE2 HIS 108 HE2 HIS 108 -4.762 21.116 12.272 928 H HIS 109 H HIS 109 -10.050 18.073 8.230 929 HA HIS 109 HA HIS 109 -10.117 18.999 6.217 930 HB2 HIS 109 2HB HIS 109 -10.736 21.192 7.074 931 HB3 HIS 109 3HB HIS 109 -9.067 21.548 7.511 932 HD1 HIS 109 HD1 HIS 109 -7.457 22.234 5.577 933 HD2 HIS 109 HD2 HIS 109 -11.346 21.493 4.319 934 HE1 HIS 109 HE1 HIS 109 -7.579 23.090 3.224 935 HE2 HIS 109 HE2 HIS 109 -9.974 22.776 2.547 936 H HIS 110 H HIS 110 -8.828 18.201 4.781 937 HA HIS 110 HA HIS 110 -5.896 18.434 5.025 938 HB2 HIS 110 2HB HIS 110 -5.712 16.101 4.122 939 HB3 HIS 110 3HB HIS 110 -6.497 16.172 5.697 940 HD1 HIS 110 HD1 HIS 110 -6.982 15.019 2.244 941 HD2 HIS 110 HD2 HIS 110 -9.346 15.653 5.597 942 HE1 HIS 110 HE1 HIS 110 -9.133 13.815 1.788 943 HE2 HIS 110 HE2 HIS 110 -10.623 14.440 3.709 Start of MODEL 19 1 H1 MET 1 1H MET 1 -10.457 -2.529 13.300 2 H2 MET 1 2H MET 1 -10.354 -1.255 14.406 3 H3 MET 1 3H MET 1 -8.945 -1.976 13.813 4 HA MET 1 HA MET 1 -10.911 -0.445 12.213 5 HB2 MET 1 2HB MET 1 -9.557 0.993 13.722 6 HB3 MET 1 3HB MET 1 -8.075 0.281 13.098 7 HG2 MET 1 2HG MET 1 -8.487 2.506 12.143 8 HG3 MET 1 3HG MET 1 -8.515 1.259 10.891 9 HE1 MET 1 3HE MET 1 -11.192 3.733 9.497 10 HE2 MET 1 1HE MET 1 -9.735 2.803 9.142 11 HE3 MET 1 2HE MET 1 -9.673 4.142 10.289 12 H LEU 2 H LEU 2 -10.911 -1.063 10.106 13 HA LEU 2 HA LEU 2 -9.168 -3.086 9.129 14 HB2 LEU 2 2HB LEU 2 -10.963 -1.213 7.531 15 HB3 LEU 2 3HB LEU 2 -10.260 -2.702 6.937 16 HG LEU 2 HG LEU 2 -12.396 -2.478 9.096 17 HD11 LEU 2 1HD1 LEU 2 -13.894 -3.524 7.457 18 HD12 LEU 2 2HD1 LEU 2 -12.612 -3.490 6.244 19 HD13 LEU 2 3HD1 LEU 2 -13.273 -1.980 6.874 20 HD21 LEU 2 3HD2 LEU 2 -11.144 -4.979 7.918 21 HD22 LEU 2 1HD2 LEU 2 -12.537 -4.938 9.003 22 HD23 LEU 2 2HD2 LEU 2 -10.965 -4.390 9.573 23 H LEU 3 H LEU 3 -7.020 -2.586 9.086 24 HA LEU 3 HA LEU 3 -6.095 -0.238 7.520 25 HB2 LEU 3 2HB LEU 3 -4.677 -1.747 9.759 26 HB3 LEU 3 3HB LEU 3 -3.990 -0.408 8.859 27 HG LEU 3 HG LEU 3 -6.381 -0.235 10.736 28 HD11 LEU 3 1HD1 LEU 3 -4.268 -0.610 11.936 29 HD12 LEU 3 2HD1 LEU 3 -4.893 1.008 12.237 30 HD13 LEU 3 3HD1 LEU 3 -3.542 0.780 11.122 31 HD21 LEU 3 3HD2 LEU 3 -4.958 1.971 9.212 32 HD22 LEU 3 1HD2 LEU 3 -6.201 2.212 10.447 33 HD23 LEU 3 2HD2 LEU 3 -6.604 1.394 8.939 34 H TYR 4 H TYR 4 -5.493 -0.896 5.541 35 HA TYR 4 HA TYR 4 -4.106 -3.495 5.198 36 HB2 TYR 4 2HB TYR 4 -6.021 -2.047 3.306 37 HB3 TYR 4 3HB TYR 4 -5.046 -3.442 2.840 38 HD1 TYR 4 HD2 TYR 4 -7.939 -2.341 4.884 39 HD2 TYR 4 HD1 TYR 4 -5.586 -5.689 3.650 40 HE1 TYR 4 HE2 TYR 4 -9.642 -3.879 5.771 41 HE2 TYR 4 HE1 TYR 4 -7.293 -7.211 4.538 42 HH TYR 4 HH TYR 4 -10.388 -6.184 5.437 43 H VAL 5 H VAL 5 -2.348 -3.562 3.866 44 HA VAL 5 HA VAL 5 -1.193 -0.975 2.965 45 HB VAL 5 HB VAL 5 0.328 -3.417 4.051 46 HG11 VAL 5 1HG1 VAL 5 1.359 -0.666 3.268 47 HG12 VAL 5 2HG1 VAL 5 1.611 -2.165 2.371 48 HG13 VAL 5 3HG1 VAL 5 2.313 -1.971 3.975 49 HG21 VAL 5 3HG2 VAL 5 0.855 -2.028 6.035 50 HG22 VAL 5 1HG2 VAL 5 -0.885 -2.282 5.874 51 HG23 VAL 5 2HG2 VAL 5 -0.174 -0.733 5.416 52 H LEU 6 H LEU 6 -0.882 -0.907 0.790 53 HA LEU 6 HA LEU 6 -0.602 -3.414 -0.764 54 HB2 LEU 6 2HB LEU 6 -1.422 -0.615 -1.669 55 HB3 LEU 6 3HB LEU 6 -1.230 -1.995 -2.735 56 HG LEU 6 HG LEU 6 -3.348 -1.611 -0.601 57 HD11 LEU 6 1HD1 LEU 6 -3.789 -0.424 -2.703 58 HD12 LEU 6 2HD1 LEU 6 -4.942 -1.731 -2.458 59 HD13 LEU 6 3HD1 LEU 6 -3.617 -1.931 -3.607 60 HD21 LEU 6 3HD2 LEU 6 -4.254 -3.815 -1.254 61 HD22 LEU 6 1HD2 LEU 6 -2.669 -3.927 -0.487 62 HD23 LEU 6 2HD2 LEU 6 -2.817 -4.101 -2.238 63 H ILE 7 H ILE 7 1.483 -3.868 -1.331 64 HA ILE 7 HA ILE 7 3.443 -1.655 -1.380 65 HB ILE 7 HB ILE 7 4.017 -3.510 0.147 66 HG12 ILE 7 2HG1 ILE 7 6.349 -3.999 -0.791 67 HG13 ILE 7 3HG1 ILE 7 5.853 -3.198 -2.270 68 HG21 ILE 7 1HG2 ILE 7 4.636 -5.748 -0.640 69 HG22 ILE 7 2HG2 ILE 7 4.137 -5.318 -2.277 70 HG23 ILE 7 3HG2 ILE 7 2.939 -5.395 -0.985 71 HD11 ILE 7 3HD1 ILE 7 7.134 -1.719 -0.860 72 HD12 ILE 7 1HD1 ILE 7 6.007 -1.964 0.470 73 HD13 ILE 7 2HD1 ILE 7 5.480 -1.126 -0.995 74 H ILE 8 H ILE 8 4.019 -0.903 -3.311 75 HA ILE 8 HA ILE 8 3.914 -2.573 -5.749 76 HB ILE 8 HB ILE 8 3.938 0.482 -5.557 77 HG12 ILE 8 2HG1 ILE 8 1.661 -1.422 -6.175 78 HG13 ILE 8 3HG1 ILE 8 1.752 -0.266 -4.860 79 HG21 ILE 8 1HG2 ILE 8 5.103 -0.326 -7.572 80 HG22 ILE 8 2HG2 ILE 8 3.604 0.497 -7.997 81 HG23 ILE 8 3HG2 ILE 8 3.677 -1.264 -8.024 82 HD11 ILE 8 3HD1 ILE 8 0.230 0.549 -6.483 83 HD12 ILE 8 1HD1 ILE 8 1.395 0.327 -7.789 84 HD13 ILE 8 2HD1 ILE 8 1.671 1.556 -6.555 85 H SER 9 H SER 9 5.916 -3.472 -5.766 86 HA SER 9 HA SER 9 8.183 -1.763 -6.375 87 HB2 SER 9 2HB SER 9 8.322 -1.945 -3.889 88 HB3 SER 9 3HB SER 9 8.275 -3.701 -4.012 89 HG SER 9 HG SER 9 10.353 -3.598 -4.204 90 H ASN 10 H ASN 10 9.463 -2.761 -7.843 91 HA ASN 10 HA ASN 10 9.018 -5.511 -8.662 92 HB2 ASN 10 2HB ASN 10 9.520 -3.643 -10.290 93 HB3 ASN 10 3HB ASN 10 11.134 -3.509 -9.608 94 HD21 ASN 10 1HD2 ASN 10 9.009 -5.436 -11.600 95 HD22 ASN 10 2HD2 ASN 10 10.219 -6.490 -12.239 96 H ASP 11 H ASP 11 11.091 -3.742 -6.522 97 HA ASP 11 HA ASP 11 13.241 -5.687 -6.359 98 HB2 ASP 11 2HB ASP 11 13.636 -3.246 -5.953 99 HB3 ASP 11 3HB ASP 11 12.610 -3.326 -4.528 100 H LYS 12 H LYS 12 12.769 -7.579 -5.525 101 HA LYS 12 HA LYS 12 10.610 -8.278 -3.872 102 HB2 LYS 12 2HB LYS 12 13.179 -9.825 -4.435 103 HB3 LYS 12 3HB LYS 12 11.850 -10.488 -3.491 104 HG2 LYS 12 2HG LYS 12 11.585 -11.380 -5.668 105 HG3 LYS 12 3HG LYS 12 10.361 -10.119 -5.523 106 HD2 LYS 12 2HD LYS 12 11.949 -8.569 -6.751 107 HD3 LYS 12 3HD LYS 12 13.000 -9.960 -7.023 108 HE2 LYS 12 2HE LYS 12 10.137 -9.682 -7.995 109 HE3 LYS 12 3HE LYS 12 11.584 -9.486 -8.981 110 HZ1 LYS 12 3HZ LYS 12 10.606 -11.666 -9.262 111 HZ2 LYS 12 1HZ LYS 12 10.756 -11.982 -7.608 112 HZ3 LYS 12 2HZ LYS 12 12.137 -11.797 -8.560 113 H LYS 13 H LYS 13 13.847 -7.231 -3.042 114 HA LYS 13 HA LYS 13 13.924 -8.136 -0.348 115 HB2 LYS 13 2HB LYS 13 15.395 -5.766 -1.595 116 HB3 LYS 13 3HB LYS 13 15.810 -6.545 -0.073 117 HG2 LYS 13 2HG LYS 13 15.942 -7.822 -2.817 118 HG3 LYS 13 3HG LYS 13 17.318 -7.234 -1.885 119 HD2 LYS 13 2HD LYS 13 16.776 -8.934 -0.110 120 HD3 LYS 13 3HD LYS 13 15.491 -9.557 -1.150 121 HE2 LYS 13 2HE LYS 13 17.151 -10.154 -2.873 122 HE3 LYS 13 3HE LYS 13 18.446 -9.485 -1.873 123 HZ1 LYS 13 3HZ LYS 13 18.378 -11.857 -1.621 124 HZ2 LYS 13 1HZ LYS 13 16.736 -11.829 -1.215 125 HZ3 LYS 13 2HZ LYS 13 17.877 -11.154 -0.167 126 H LEU 14 H LEU 14 13.027 -5.006 -1.834 127 HA LEU 14 HA LEU 14 12.311 -3.671 0.564 128 HB2 LEU 14 2HB LEU 14 12.916 -2.583 -1.608 129 HB3 LEU 14 3HB LEU 14 11.383 -3.084 -2.288 130 HG LEU 14 HG LEU 14 11.363 -1.325 0.192 131 HD11 LEU 14 1HD1 LEU 14 11.817 -0.255 -2.614 132 HD12 LEU 14 2HD1 LEU 14 12.961 -0.201 -1.272 133 HD13 LEU 14 3HD1 LEU 14 11.461 0.715 -1.178 134 HD21 LEU 14 3HD2 LEU 14 9.299 -0.429 -0.790 135 HD22 LEU 14 1HD2 LEU 14 9.218 -2.186 -0.639 136 HD23 LEU 14 2HD2 LEU 14 9.515 -1.450 -2.214 137 H ILE 15 H ILE 15 10.478 -5.728 -1.678 138 HA ILE 15 HA ILE 15 7.859 -5.324 -0.660 139 HB ILE 15 HB ILE 15 9.050 -7.826 -1.954 140 HG12 ILE 15 2HG1 ILE 15 7.354 -5.621 -3.218 141 HG13 ILE 15 3HG1 ILE 15 9.093 -5.785 -3.416 142 HG21 ILE 15 1HG2 ILE 15 6.124 -7.141 -1.503 143 HG22 ILE 15 2HG2 ILE 15 7.030 -8.426 -0.700 144 HG23 ILE 15 3HG2 ILE 15 6.720 -8.517 -2.432 145 HD11 ILE 15 3HD1 ILE 15 7.980 -6.627 -5.360 146 HD12 ILE 15 1HD1 ILE 15 6.981 -7.708 -4.386 147 HD13 ILE 15 2HD1 ILE 15 8.722 -7.977 -4.506 148 H GLU 16 H GLU 16 10.357 -7.722 0.115 149 HA GLU 16 HA GLU 16 8.955 -9.150 2.115 150 HB2 GLU 16 2HB GLU 16 11.951 -8.891 1.609 151 HB3 GLU 16 3HB GLU 16 11.264 -9.965 2.823 152 HG2 GLU 16 2HG GLU 16 10.085 -11.239 1.110 153 HG3 GLU 16 3HG GLU 16 10.634 -10.120 -0.137 154 H GLU 17 H GLU 17 11.288 -6.462 2.351 155 HA GLU 17 HA GLU 17 11.448 -6.256 5.141 156 HB2 GLU 17 2HB GLU 17 11.788 -4.155 2.960 157 HB3 GLU 17 3HB GLU 17 12.103 -3.810 4.653 158 HG2 GLU 17 2HG GLU 17 13.547 -5.871 2.969 159 HG3 GLU 17 3HG GLU 17 14.167 -4.290 3.439 160 H ALA 18 H ALA 18 9.180 -4.745 2.864 161 HA ALA 18 HA ALA 18 7.739 -3.150 4.744 162 HB1 ALA 18 3HB ALA 18 6.909 -4.189 2.006 163 HB2 ALA 18 1HB ALA 18 7.731 -2.663 2.337 164 HB3 ALA 18 2HB ALA 18 6.083 -2.918 2.912 165 H ARG 19 H ARG 19 7.128 -6.321 3.250 166 HA ARG 19 HA ARG 19 4.658 -6.913 4.436 167 HB2 ARG 19 2HB ARG 19 5.457 -8.155 2.488 168 HB3 ARG 19 3HB ARG 19 6.809 -8.814 3.407 169 HG2 ARG 19 2HG ARG 19 5.272 -10.117 4.801 170 HG3 ARG 19 3HG ARG 19 3.879 -9.390 3.992 171 HD2 ARG 19 2HD ARG 19 4.438 -11.703 3.195 172 HD3 ARG 19 3HD ARG 19 4.424 -10.491 1.913 173 HE ARG 19 HE ARG 19 6.669 -10.784 1.608 174 HH11 ARG 19 1HH1 ARG 19 5.823 -12.494 4.586 175 HH12 ARG 19 2HH1 ARG 19 7.360 -13.302 4.667 176 HH21 ARG 19 1HH2 ARG 19 8.622 -11.862 1.728 177 HH22 ARG 19 2HH2 ARG 19 8.946 -12.940 3.052 178 H LYS 20 H LYS 20 7.961 -7.500 5.589 179 HA LYS 20 HA LYS 20 7.331 -9.150 7.795 180 HB2 LYS 20 2HB LYS 20 9.714 -7.334 7.247 181 HB3 LYS 20 3HB LYS 20 9.606 -8.319 8.702 182 HG2 LYS 20 2HG LYS 20 9.617 -9.371 5.854 183 HG3 LYS 20 3HG LYS 20 10.981 -9.403 6.973 184 HD2 LYS 20 2HD LYS 20 9.777 -10.920 8.461 185 HD3 LYS 20 3HD LYS 20 8.330 -10.807 7.459 186 HE2 LYS 20 2HE LYS 20 9.541 -11.915 5.603 187 HE3 LYS 20 3HE LYS 20 10.979 -12.040 6.625 188 HZ1 LYS 20 3HZ LYS 20 9.694 -13.382 8.189 189 HZ2 LYS 20 1HZ LYS 20 9.717 -14.095 6.654 190 HZ3 LYS 20 2HZ LYS 20 8.336 -13.279 7.189 191 H MET 21 H MET 21 7.567 -5.620 7.464 192 HA MET 21 HA MET 21 7.060 -4.949 10.171 193 HB2 MET 21 2HB MET 21 6.760 -3.434 7.559 194 HB3 MET 21 3HB MET 21 6.160 -2.726 9.055 195 HG2 MET 21 2HG MET 21 9.012 -3.538 8.472 196 HG3 MET 21 3HG MET 21 8.374 -1.901 8.593 197 HE1 MET 21 3HE MET 21 7.394 -1.847 12.468 198 HE2 MET 21 1HE MET 21 6.343 -2.550 11.237 199 HE3 MET 21 2HE MET 21 7.182 -1.029 10.922 200 H ALA 22 H ALA 22 4.902 -5.511 7.425 201 HA ALA 22 HA ALA 22 2.487 -4.753 8.715 202 HB1 ALA 22 3HB ALA 22 2.732 -4.833 6.273 203 HB2 ALA 22 1HB ALA 22 1.374 -5.822 6.809 204 HB3 ALA 22 2HB ALA 22 2.894 -6.590 6.337 205 H GLU 23 H GLU 23 4.212 -7.843 8.464 206 HA GLU 23 HA GLU 23 2.171 -9.500 9.585 207 HB2 GLU 23 2HB GLU 23 5.185 -9.933 9.365 208 HB3 GLU 23 3HB GLU 23 4.051 -11.177 9.884 209 HG2 GLU 23 2HG GLU 23 2.972 -11.185 7.705 210 HG3 GLU 23 3HG GLU 23 3.950 -9.827 7.158 211 H LYS 24 H LYS 24 4.942 -7.739 10.942 212 HA LYS 24 HA LYS 24 4.582 -8.678 13.646 213 HB2 LYS 24 2HB LYS 24 6.201 -6.341 12.541 214 HB3 LYS 24 3HB LYS 24 6.257 -6.888 14.217 215 HG2 LYS 24 2HG LYS 24 7.103 -9.098 13.475 216 HG3 LYS 24 3HG LYS 24 7.034 -8.552 11.798 217 HD2 LYS 24 2HD LYS 24 9.332 -8.410 12.577 218 HD3 LYS 24 3HD LYS 24 8.713 -6.776 12.337 219 HE2 LYS 24 2HE LYS 24 8.343 -6.555 14.763 220 HE3 LYS 24 3HE LYS 24 8.929 -8.202 15.011 221 HZ1 LYS 24 3HZ LYS 24 11.076 -7.509 14.103 222 HZ2 LYS 24 1HZ LYS 24 10.658 -6.617 15.473 223 HZ3 LYS 24 2HZ LYS 24 10.510 -5.928 13.941 224 H ALA 25 H ALA 25 3.416 -5.965 11.744 225 HA ALA 25 HA ALA 25 2.166 -4.610 14.000 226 HB1 ALA 25 3HB ALA 25 1.374 -2.999 12.315 227 HB2 ALA 25 1HB ALA 25 1.983 -4.037 11.019 228 HB3 ALA 25 2HB ALA 25 3.105 -3.285 12.153 229 H ASN 26 H ASN 26 1.426 -7.305 12.205 230 HA ASN 26 HA ASN 26 -0.337 -8.664 11.936 231 HB2 ASN 26 2HB ASN 26 -1.490 -6.977 14.191 232 HB3 ASN 26 3HB ASN 26 -2.297 -8.403 13.544 233 HD21 ASN 26 1HD2 ASN 26 -2.185 -9.412 15.583 234 HD22 ASN 26 2HD2 ASN 26 -0.711 -10.065 16.208 235 H LEU 27 H LEU 27 -0.186 -5.996 10.486 236 HA LEU 27 HA LEU 27 -2.946 -5.570 9.616 237 HB2 LEU 27 2HB LEU 27 -0.389 -4.297 8.544 238 HB3 LEU 27 3HB LEU 27 -2.036 -3.783 8.208 239 HG LEU 27 HG LEU 27 -0.515 -3.515 10.821 240 HD11 LEU 27 1HD1 LEU 27 -0.867 -1.098 10.518 241 HD12 LEU 27 2HD1 LEU 27 -1.672 -1.399 8.977 242 HD13 LEU 27 3HD1 LEU 27 0.035 -1.803 9.177 243 HD21 LEU 27 3HD2 LEU 27 -3.457 -2.944 10.365 244 HD22 LEU 27 1HD2 LEU 27 -2.534 -2.439 11.784 245 HD23 LEU 27 2HD2 LEU 27 -2.762 -4.152 11.446 246 H GLU 28 H GLU 28 -3.612 -5.885 7.415 247 HA GLU 28 HA GLU 28 -2.388 -8.231 6.183 248 HB2 GLU 28 2HB GLU 28 -5.033 -6.812 5.686 249 HB3 GLU 28 3HB GLU 28 -4.487 -8.204 4.764 250 HG2 GLU 28 2HG GLU 28 -4.993 -8.177 7.748 251 HG3 GLU 28 3HG GLU 28 -6.104 -8.807 6.535 252 H LEU 29 H LEU 29 -0.914 -7.976 4.691 253 HA LEU 29 HA LEU 29 -0.830 -5.552 2.988 254 HB2 LEU 29 2HB LEU 29 1.133 -5.770 4.397 255 HB3 LEU 29 3HB LEU 29 1.405 -7.419 3.883 256 HG LEU 29 HG LEU 29 1.473 -5.340 1.696 257 HD11 LEU 29 1HD1 LEU 29 2.680 -4.149 3.462 258 HD12 LEU 29 2HD1 LEU 29 3.768 -4.637 2.167 259 HD13 LEU 29 3HD1 LEU 29 3.752 -5.531 3.690 260 HD21 LEU 29 3HD2 LEU 29 3.251 -7.726 2.312 261 HD22 LEU 29 1HD2 LEU 29 3.356 -6.708 0.873 262 HD23 LEU 29 2HD2 LEU 29 1.919 -7.685 1.154 263 H ARG 30 H ARG 30 -0.942 -5.782 0.823 264 HA ARG 30 HA ARG 30 -0.914 -8.490 -0.383 265 HB2 ARG 30 2HB ARG 30 -2.600 -6.107 -1.291 266 HB3 ARG 30 3HB ARG 30 -2.582 -7.698 -2.036 267 HG2 ARG 30 2HG ARG 30 -3.621 -6.998 0.721 268 HG3 ARG 30 3HG ARG 30 -4.582 -7.447 -0.689 269 HD2 ARG 30 2HD ARG 30 -3.681 -9.714 -0.642 270 HD3 ARG 30 3HD ARG 30 -2.565 -9.287 0.657 271 HE ARG 30 HE ARG 30 -5.508 -9.460 0.893 272 HH11 ARG 30 1HH1 ARG 30 -2.343 -9.559 2.462 273 HH12 ARG 30 2HH1 ARG 30 -3.002 -10.033 3.995 274 HH21 ARG 30 1HH2 ARG 30 -6.323 -10.087 2.901 275 HH22 ARG 30 2HH2 ARG 30 -5.243 -10.330 4.241 276 H THR 31 H THR 31 0.382 -8.734 -2.119 277 HA THR 31 HA THR 31 2.269 -6.600 -2.732 278 HB THR 31 HB THR 31 3.479 -8.449 -3.980 279 HG1 THR 31 HG1 THR 31 1.153 -9.671 -3.842 280 HG21 THR 31 3HG2 THR 31 4.175 -9.676 -1.957 281 HG22 THR 31 1HG2 THR 31 2.752 -9.081 -1.088 282 HG23 THR 31 2HG2 THR 31 4.013 -7.955 -1.604 283 H VAL 32 H VAL 32 1.808 -5.237 -4.271 284 HA VAL 32 HA VAL 32 -0.050 -5.820 -6.452 285 HB VAL 32 HB VAL 32 1.316 -3.186 -5.716 286 HG11 VAL 32 1HG1 VAL 32 -0.437 -2.108 -7.054 287 HG12 VAL 32 2HG1 VAL 32 -1.107 -3.683 -7.481 288 HG13 VAL 32 3HG1 VAL 32 0.506 -3.231 -8.036 289 HG21 VAL 32 3HG2 VAL 32 -0.777 -2.550 -4.585 290 HG22 VAL 32 1HG2 VAL 32 -0.048 -3.972 -3.837 291 HG23 VAL 32 2HG2 VAL 32 -1.445 -4.154 -4.899 292 H LYS 33 H LYS 33 0.650 -6.306 -8.417 293 HA LYS 33 HA LYS 33 3.509 -6.300 -9.076 294 HB2 LYS 33 2HB LYS 33 1.202 -7.512 -10.669 295 HB3 LYS 33 3HB LYS 33 2.911 -7.927 -10.773 296 HG2 LYS 33 2HG LYS 33 2.863 -9.029 -8.624 297 HG3 LYS 33 3HG LYS 33 1.243 -8.415 -8.283 298 HD2 LYS 33 2HD LYS 33 0.360 -9.786 -10.193 299 HD3 LYS 33 3HD LYS 33 1.981 -10.450 -10.427 300 HE2 LYS 33 2HE LYS 33 0.559 -11.999 -9.149 301 HE3 LYS 33 3HE LYS 33 1.912 -11.439 -8.168 302 HZ1 LYS 33 3HZ LYS 33 -0.191 -11.460 -6.950 303 HZ2 LYS 33 1HZ LYS 33 -0.851 -10.344 -8.039 304 HZ3 LYS 33 2HZ LYS 33 0.450 -9.900 -7.054 305 H THR 34 H THR 34 0.393 -5.262 -10.432 306 HA THR 34 HA THR 34 1.655 -3.130 -12.047 307 HB THR 34 HB THR 34 -0.027 -3.651 -13.874 308 HG1 THR 34 HG1 THR 34 -0.977 -5.797 -13.747 309 HG21 THR 34 3HG2 THR 34 2.295 -4.473 -14.134 310 HG22 THR 34 1HG2 THR 34 1.128 -5.605 -14.826 311 HG23 THR 34 2HG2 THR 34 1.871 -5.949 -13.264 312 H GLU 35 H GLU 35 -0.217 -1.684 -12.957 313 HA GLU 35 HA GLU 35 -1.668 -0.518 -10.847 314 HB2 GLU 35 2HB GLU 35 -2.787 0.845 -12.606 315 HB3 GLU 35 3HB GLU 35 -1.039 0.800 -12.810 316 HG2 GLU 35 2HG GLU 35 -1.218 -0.771 -14.643 317 HG3 GLU 35 3HG GLU 35 -2.940 -0.986 -14.359 318 H ASP 36 H ASP 36 -2.581 -2.944 -13.257 319 HA ASP 36 HA ASP 36 -5.381 -2.965 -12.829 320 HB2 ASP 36 2HB ASP 36 -4.227 -3.961 -14.813 321 HB3 ASP 36 3HB ASP 36 -3.609 -5.257 -13.794 322 H GLU 37 H GLU 37 -2.717 -4.617 -11.225 323 HA GLU 37 HA GLU 37 -4.244 -6.259 -9.473 324 HB2 GLU 37 2HB GLU 37 -1.436 -5.104 -9.208 325 HB3 GLU 37 3HB GLU 37 -2.115 -6.287 -8.098 326 HG2 GLU 37 2HG GLU 37 -1.773 -6.757 -11.068 327 HG3 GLU 37 3HG GLU 37 -0.594 -7.237 -9.851 328 H LEU 38 H LEU 38 -2.984 -2.957 -9.249 329 HA LEU 38 HA LEU 38 -3.546 -2.374 -6.561 330 HB2 LEU 38 2HB LEU 38 -2.146 -1.084 -8.346 331 HB3 LEU 38 3HB LEU 38 -3.654 -0.356 -8.851 332 HG LEU 38 HG LEU 38 -2.220 1.083 -7.357 333 HD11 LEU 38 1HD1 LEU 38 -4.614 1.564 -7.527 334 HD12 LEU 38 2HD1 LEU 38 -3.984 1.952 -5.929 335 HD13 LEU 38 3HD1 LEU 38 -4.940 0.483 -6.167 336 HD21 LEU 38 3HD2 LEU 38 -2.074 0.620 -4.964 337 HD22 LEU 38 1HD2 LEU 38 -1.329 -0.677 -5.897 338 HD23 LEU 38 2HD2 LEU 38 -2.926 -0.909 -5.181 339 H LYS 39 H LYS 39 -5.443 -1.873 -9.508 340 HA LYS 39 HA LYS 39 -7.816 -0.774 -8.483 341 HB2 LYS 39 2HB LYS 39 -7.367 -2.553 -10.927 342 HB3 LYS 39 3HB LYS 39 -8.836 -1.628 -10.631 343 HG2 LYS 39 2HG LYS 39 -7.767 0.442 -11.033 344 HG3 LYS 39 3HG LYS 39 -6.161 -0.238 -10.787 345 HD2 LYS 39 2HD LYS 39 -6.482 0.215 -13.161 346 HD3 LYS 39 3HD LYS 39 -6.396 -1.525 -12.905 347 HE2 LYS 39 2HE LYS 39 -8.148 -1.158 -14.479 348 HE3 LYS 39 3HE LYS 39 -8.946 -1.536 -12.953 349 HZ1 LYS 39 3HZ LYS 39 -8.622 1.118 -14.226 350 HZ2 LYS 39 1HZ LYS 39 -9.132 0.928 -12.628 351 HZ3 LYS 39 2HZ LYS 39 -10.058 0.300 -13.888 352 H LYS 40 H LYS 40 -6.823 -4.133 -9.008 353 HA LYS 40 HA LYS 40 -9.237 -5.474 -8.522 354 HB2 LYS 40 2HB LYS 40 -7.336 -6.531 -9.635 355 HB3 LYS 40 3HB LYS 40 -6.342 -6.364 -8.193 356 HG2 LYS 40 2HG LYS 40 -7.830 -7.956 -7.006 357 HG3 LYS 40 3HG LYS 40 -8.778 -8.157 -8.480 358 HD2 LYS 40 2HD LYS 40 -5.827 -8.827 -8.175 359 HD3 LYS 40 3HD LYS 40 -7.145 -9.998 -8.149 360 HE2 LYS 40 2HE LYS 40 -7.715 -9.390 -10.485 361 HE3 LYS 40 3HE LYS 40 -6.379 -8.234 -10.503 362 HZ1 LYS 40 3HZ LYS 40 -4.826 -10.052 -10.181 363 HZ2 LYS 40 1HZ LYS 40 -5.785 -10.356 -11.544 364 HZ3 LYS 40 2HZ LYS 40 -6.095 -11.168 -10.094 365 H TYR 41 H TYR 41 -6.559 -4.663 -6.346 366 HA TYR 41 HA TYR 41 -7.642 -5.967 -4.043 367 HB2 TYR 41 2HB TYR 41 -5.488 -3.818 -4.232 368 HB3 TYR 41 3HB TYR 41 -5.862 -4.735 -2.775 369 HD1 TYR 41 HD1 TYR 41 -6.193 -7.506 -3.773 370 HD2 TYR 41 HD2 TYR 41 -3.324 -4.544 -4.910 371 HE1 TYR 41 HE1 TYR 41 -4.650 -9.272 -4.507 372 HE2 TYR 41 HE2 TYR 41 -1.792 -6.322 -5.650 373 HH TYR 41 HH TYR 41 -1.376 -8.682 -5.307 374 H LEU 42 H LEU 42 -7.771 -2.631 -5.267 375 HA LEU 42 HA LEU 42 -9.203 -1.448 -3.160 376 HB2 LEU 42 2HB LEU 42 -9.272 -0.813 -6.132 377 HB3 LEU 42 3HB LEU 42 -10.005 0.199 -4.900 378 HG LEU 42 HG LEU 42 -7.026 -0.388 -5.129 379 HD11 LEU 42 1HD1 LEU 42 -7.820 1.012 -6.968 380 HD12 LEU 42 2HD1 LEU 42 -6.805 1.942 -5.871 381 HD13 LEU 42 3HD1 LEU 42 -8.560 2.137 -5.826 382 HD21 LEU 42 3HD2 LEU 42 -7.653 0.000 -2.796 383 HD22 LEU 42 1HD2 LEU 42 -8.479 1.497 -3.238 384 HD23 LEU 42 2HD2 LEU 42 -6.727 1.362 -3.418 385 H GLU 43 H GLU 43 -10.424 -3.294 -5.979 386 HA GLU 43 HA GLU 43 -13.197 -2.960 -5.545 387 HB2 GLU 43 2HB GLU 43 -11.676 -5.268 -6.813 388 HB3 GLU 43 3HB GLU 43 -13.431 -5.148 -6.837 389 HG2 GLU 43 2HG GLU 43 -13.343 -3.131 -8.162 390 HG3 GLU 43 3HG GLU 43 -11.588 -3.048 -8.018 391 H GLU 44 H GLU 44 -10.897 -5.281 -4.192 392 HA GLU 44 HA GLU 44 -12.730 -6.801 -2.643 393 HB2 GLU 44 2HB GLU 44 -9.755 -6.243 -2.224 394 HB3 GLU 44 3HB GLU 44 -10.675 -7.383 -1.247 395 HG2 GLU 44 2HG GLU 44 -10.301 -7.589 -4.250 396 HG3 GLU 44 3HG GLU 44 -9.366 -8.475 -3.049 397 H PHE 45 H PHE 45 -10.844 -3.860 -1.936 398 HA PHE 45 HA PHE 45 -11.731 -3.546 0.756 399 HB2 PHE 45 2HB PHE 45 -10.504 -1.477 -1.103 400 HB3 PHE 45 3HB PHE 45 -10.621 -1.341 0.648 401 HD1 PHE 45 HD2 PHE 45 -9.813 -4.337 1.203 402 HD2 PHE 45 HD1 PHE 45 -8.096 -1.247 -1.215 403 HE1 PHE 45 HE2 PHE 45 -7.599 -5.398 1.395 404 HE2 PHE 45 HE1 PHE 45 -5.895 -2.327 -1.010 405 HZ PHE 45 HZ PHE 45 -5.641 -4.397 0.291 406 H ARG 46 H ARG 46 -13.264 -2.802 -2.227 407 HA ARG 46 HA ARG 46 -14.983 -0.661 -1.417 408 HB2 ARG 46 2HB ARG 46 -15.034 -2.665 -3.687 409 HB3 ARG 46 3HB ARG 46 -16.452 -1.665 -3.392 410 HG2 ARG 46 2HG ARG 46 -15.121 0.369 -3.747 411 HG3 ARG 46 3HG ARG 46 -13.671 -0.612 -3.995 412 HD2 ARG 46 2HD ARG 46 -14.905 0.214 -6.110 413 HD3 ARG 46 3HD ARG 46 -14.457 -1.489 -6.040 414 HE ARG 46 HE ARG 46 -16.683 -2.087 -5.887 415 HH11 ARG 46 1HH1 ARG 46 -16.488 1.430 -5.871 416 HH12 ARG 46 2HH1 ARG 46 -18.187 1.628 -6.158 417 HH21 ARG 46 1HH2 ARG 46 -18.887 -1.796 -6.228 418 HH22 ARG 46 2HH2 ARG 46 -19.541 -0.194 -6.363 419 H LYS 47 H LYS 47 -15.514 -4.184 -1.670 420 HA LYS 47 HA LYS 47 -18.231 -4.127 -0.812 421 HB2 LYS 47 2HB LYS 47 -18.096 -6.575 -0.796 422 HB3 LYS 47 3HB LYS 47 -17.307 -5.931 -2.228 423 HG2 LYS 47 2HG LYS 47 -15.092 -6.196 -0.985 424 HG3 LYS 47 3HG LYS 47 -15.986 -7.099 0.239 425 HD2 LYS 47 2HD LYS 47 -16.703 -8.715 -1.564 426 HD3 LYS 47 3HD LYS 47 -15.685 -7.829 -2.703 427 HE2 LYS 47 2HE LYS 47 -13.702 -8.344 -1.252 428 HE3 LYS 47 3HE LYS 47 -14.749 -9.338 -0.237 429 HZ1 LYS 47 3HZ LYS 47 -15.223 -10.718 -2.211 430 HZ2 LYS 47 1HZ LYS 47 -13.581 -10.711 -1.810 431 HZ3 LYS 47 2HZ LYS 47 -14.129 -9.794 -3.112 432 H GLU 48 H GLU 48 -15.459 -3.684 0.978 433 HA GLU 48 HA GLU 48 -16.772 -4.313 3.547 434 HB2 GLU 48 2HB GLU 48 -14.565 -5.131 4.392 435 HB3 GLU 48 3HB GLU 48 -15.144 -6.119 3.052 436 HG2 GLU 48 2HG GLU 48 -13.655 -4.885 1.501 437 HG3 GLU 48 3HG GLU 48 -13.069 -3.910 2.846 438 H SER 49 H SER 49 -16.479 -1.784 1.992 439 HA SER 49 HA SER 49 -14.419 -0.208 3.252 440 HB2 SER 49 2HB SER 49 -15.529 1.720 2.059 441 HB3 SER 49 3HB SER 49 -15.073 0.383 1.004 442 HG SER 49 HG SER 49 -17.081 0.202 0.460 443 H GLN 50 H GLN 50 -15.276 -1.060 5.412 444 HA GLN 50 HA GLN 50 -17.351 0.684 6.618 445 HB2 GLN 50 2HB GLN 50 -16.625 -2.186 7.410 446 HB3 GLN 50 3HB GLN 50 -17.906 -1.208 8.112 447 HG2 GLN 50 2HG GLN 50 -19.169 -1.288 6.025 448 HG3 GLN 50 3HG GLN 50 -17.857 -2.152 5.230 449 HE21 GLN 50 1HE2 GLN 50 -17.340 -3.929 7.540 450 HE22 GLN 50 2HE2 GLN 50 -18.640 -5.063 7.559 451 H ASN 51 H ASN 51 -15.793 2.226 7.251 452 HA ASN 51 HA ASN 51 -14.014 3.216 8.214 453 HB2 ASN 51 2HB ASN 51 -14.657 1.156 10.339 454 HB3 ASN 51 3HB ASN 51 -13.303 2.259 10.538 455 HD21 ASN 51 1HD2 ASN 51 -14.227 3.230 12.331 456 HD22 ASN 51 2HD2 ASN 51 -15.588 4.287 12.227 457 H ILE 52 H ILE 52 -12.859 2.513 6.348 458 HA ILE 52 HA ILE 52 -10.666 0.617 6.939 459 HB ILE 52 HB ILE 52 -12.345 -0.364 5.356 460 HG12 ILE 52 2HG1 ILE 52 -9.669 0.148 3.972 461 HG13 ILE 52 3HG1 ILE 52 -9.891 -0.999 5.288 462 HG21 ILE 52 1HG2 ILE 52 -11.528 1.865 3.454 463 HG22 ILE 52 2HG2 ILE 52 -13.106 1.674 4.218 464 HG23 ILE 52 3HG2 ILE 52 -12.550 0.482 3.043 465 HD11 ILE 52 3HD1 ILE 52 -11.437 -2.293 3.910 466 HD12 ILE 52 1HD1 ILE 52 -9.860 -2.112 3.143 467 HD13 ILE 52 2HD1 ILE 52 -11.223 -1.144 2.584 468 H LYS 53 H LYS 53 -8.657 1.226 6.303 469 HA LYS 53 HA LYS 53 -8.266 3.558 4.583 470 HB2 LYS 53 2HB LYS 53 -6.717 3.128 7.178 471 HB3 LYS 53 3HB LYS 53 -6.374 4.364 5.974 472 HG2 LYS 53 2HG LYS 53 -8.670 5.322 6.445 473 HG3 LYS 53 3HG LYS 53 -8.789 4.190 7.792 474 HD2 LYS 53 2HD LYS 53 -6.828 6.484 7.454 475 HD3 LYS 53 3HD LYS 53 -8.057 6.293 8.701 476 HE2 LYS 53 2HE LYS 53 -6.794 4.348 9.610 477 HE3 LYS 53 3HE LYS 53 -5.545 4.616 8.390 478 HZ1 LYS 53 3HZ LYS 53 -6.354 6.605 10.435 479 HZ2 LYS 53 1HZ LYS 53 -5.084 6.760 9.339 480 HZ3 LYS 53 2HZ LYS 53 -5.004 5.599 10.564 481 H VAL 54 H VAL 54 -6.691 3.219 3.148 482 HA VAL 54 HA VAL 54 -5.028 0.760 3.356 483 HB VAL 54 HB VAL 54 -6.004 2.109 0.789 484 HG11 VAL 54 1HG1 VAL 54 -5.189 0.077 -0.351 485 HG12 VAL 54 2HG1 VAL 54 -4.562 -0.533 1.182 486 HG13 VAL 54 3HG1 VAL 54 -3.883 0.934 0.473 487 HG21 VAL 54 3HG2 VAL 54 -7.049 -0.440 2.080 488 HG22 VAL 54 1HG2 VAL 54 -7.571 0.229 0.531 489 HG23 VAL 54 2HG2 VAL 54 -7.897 1.107 2.028 490 H LEU 55 H LEU 55 -2.855 0.973 2.996 491 HA LEU 55 HA LEU 55 -1.735 3.653 2.370 492 HB2 LEU 55 2HB LEU 55 -1.312 2.938 4.710 493 HB3 LEU 55 3HB LEU 55 -0.610 1.432 4.134 494 HG LEU 55 HG LEU 55 1.193 2.796 2.986 495 HD11 LEU 55 1HD1 LEU 55 1.595 5.096 3.685 496 HD12 LEU 55 2HD1 LEU 55 0.074 5.108 4.580 497 HD13 LEU 55 3HD1 LEU 55 0.064 4.942 2.822 498 HD21 LEU 55 3HD2 LEU 55 2.504 3.149 5.005 499 HD22 LEU 55 1HD2 LEU 55 1.587 1.648 5.112 500 HD23 LEU 55 2HD2 LEU 55 1.046 3.076 5.997 501 H ILE 56 H ILE 56 -1.019 3.583 0.332 502 HA ILE 56 HA ILE 56 -0.018 1.073 -0.856 503 HB ILE 56 HB ILE 56 -0.869 3.657 -2.278 504 HG12 ILE 56 2HG1 ILE 56 -2.440 1.045 -2.007 505 HG13 ILE 56 3HG1 ILE 56 -2.797 2.526 -1.131 506 HG21 ILE 56 1HG2 ILE 56 -0.250 0.897 -3.410 507 HG22 ILE 56 2HG2 ILE 56 0.768 2.331 -3.559 508 HG23 ILE 56 3HG2 ILE 56 -0.813 2.288 -4.339 509 HD11 ILE 56 3HD1 ILE 56 -3.306 3.650 -3.243 510 HD12 ILE 56 1HD1 ILE 56 -4.309 2.224 -2.978 511 HD13 ILE 56 2HD1 ILE 56 -2.965 2.152 -4.116 512 H LEU 57 H LEU 57 2.189 0.959 -0.594 513 HA LEU 57 HA LEU 57 3.863 3.392 -0.699 514 HB2 LEU 57 2HB LEU 57 4.630 0.486 -0.110 515 HB3 LEU 57 3HB LEU 57 5.750 1.832 -0.132 516 HG LEU 57 HG LEU 57 5.382 1.385 2.152 517 HD11 LEU 57 1HD1 LEU 57 3.550 3.699 1.504 518 HD12 LEU 57 2HD1 LEU 57 5.306 3.762 1.659 519 HD13 LEU 57 3HD1 LEU 57 4.319 3.367 3.060 520 HD21 LEU 57 3HD2 LEU 57 2.386 1.316 1.686 521 HD22 LEU 57 1HD2 LEU 57 3.208 1.127 3.239 522 HD23 LEU 57 2HD2 LEU 57 3.432 -0.078 1.973 523 H VAL 58 H VAL 58 4.449 3.969 -2.732 524 HA VAL 58 HA VAL 58 4.477 1.941 -4.872 525 HB VAL 58 HB VAL 58 4.214 3.773 -6.462 526 HG11 VAL 58 1HG1 VAL 58 2.216 4.024 -4.183 527 HG12 VAL 58 2HG1 VAL 58 2.171 2.837 -5.482 528 HG13 VAL 58 3HG1 VAL 58 1.956 4.544 -5.852 529 HG21 VAL 58 3HG2 VAL 58 3.956 6.108 -5.786 530 HG22 VAL 58 1HG2 VAL 58 5.527 5.501 -5.271 531 HG23 VAL 58 2HG2 VAL 58 4.224 5.683 -4.095 532 H SER 59 H SER 59 6.170 1.786 -6.327 533 HA SER 59 HA SER 59 8.802 2.559 -5.455 534 HB2 SER 59 2HB SER 59 9.467 1.466 -7.660 535 HB3 SER 59 3HB SER 59 8.528 0.435 -6.580 536 HG SER 59 HG SER 59 7.465 0.193 -8.433 537 H ASN 60 H ASN 60 6.689 3.423 -8.173 538 HA ASN 60 HA ASN 60 8.553 5.468 -9.167 539 HB2 ASN 60 2HB ASN 60 6.082 4.166 -10.395 540 HB3 ASN 60 3HB ASN 60 7.048 5.402 -11.197 541 HD21 ASN 60 1HD2 ASN 60 6.483 2.494 -11.811 542 HD22 ASN 60 2HD2 ASN 60 8.050 1.801 -12.047 543 H ASP 61 H ASP 61 8.029 7.615 -9.374 544 HA ASP 61 HA ASP 61 6.039 8.871 -7.834 545 HB2 ASP 61 2HB ASP 61 6.661 10.961 -9.081 546 HB3 ASP 61 3HB ASP 61 8.054 10.085 -8.468 547 H GLU 62 H GLU 62 5.967 7.626 -11.093 548 HA GLU 62 HA GLU 62 3.568 8.889 -11.988 549 HB2 GLU 62 2HB GLU 62 5.159 7.857 -13.569 550 HB3 GLU 62 3HB GLU 62 4.882 6.274 -12.854 551 HG2 GLU 62 2HG GLU 62 2.581 6.260 -13.668 552 HG3 GLU 62 3HG GLU 62 2.756 7.902 -14.286 553 H GLU 63 H GLU 63 4.310 5.830 -10.330 554 HA GLU 63 HA GLU 63 1.641 4.851 -10.213 555 HB2 GLU 63 2HB GLU 63 4.071 4.077 -8.540 556 HB3 GLU 63 3HB GLU 63 2.527 3.237 -8.490 557 HG2 GLU 63 2HG GLU 63 4.464 3.391 -10.806 558 HG3 GLU 63 3HG GLU 63 3.983 1.966 -9.889 559 H LEU 64 H LEU 64 3.503 6.961 -8.079 560 HA LEU 64 HA LEU 64 1.947 7.043 -5.801 561 HB2 LEU 64 2HB LEU 64 4.073 8.292 -6.087 562 HB3 LEU 64 3HB LEU 64 3.296 9.375 -7.230 563 HG LEU 64 HG LEU 64 1.794 10.184 -5.367 564 HD11 LEU 64 1HD1 LEU 64 1.894 8.251 -3.889 565 HD12 LEU 64 2HD1 LEU 64 2.387 9.714 -3.044 566 HD13 LEU 64 3HD1 LEU 64 3.606 8.549 -3.573 567 HD21 LEU 64 3HD2 LEU 64 3.781 11.468 -6.004 568 HD22 LEU 64 1HD2 LEU 64 4.766 10.542 -4.866 569 HD23 LEU 64 2HD2 LEU 64 3.475 11.592 -4.274 570 H ASP 65 H ASP 65 1.645 9.245 -8.578 571 HA ASP 65 HA ASP 65 -0.818 10.406 -7.861 572 HB2 ASP 65 2HB ASP 65 0.788 11.478 -9.416 573 HB3 ASP 65 3HB ASP 65 0.482 10.223 -10.610 574 H LYS 66 H LYS 66 -0.009 7.613 -9.878 575 HA LYS 66 HA LYS 66 -2.492 7.270 -11.179 576 HB2 LYS 66 2HB LYS 66 -0.247 6.260 -11.860 577 HB3 LYS 66 3HB LYS 66 -0.453 5.082 -10.570 578 HG2 LYS 66 2HG LYS 66 -1.084 4.121 -12.722 579 HG3 LYS 66 3HG LYS 66 -2.506 4.235 -11.682 580 HD2 LYS 66 2HD LYS 66 -3.277 6.217 -12.873 581 HD3 LYS 66 3HD LYS 66 -1.798 6.278 -13.828 582 HE2 LYS 66 2HE LYS 66 -3.815 4.008 -13.947 583 HE3 LYS 66 3HE LYS 66 -3.766 5.372 -15.067 584 HZ1 LYS 66 3HZ LYS 66 -1.557 4.709 -15.743 585 HZ2 LYS 66 1HZ LYS 66 -2.640 3.427 -15.949 586 HZ3 LYS 66 2HZ LYS 66 -1.570 3.424 -14.648 587 H ALA 67 H ALA 67 -1.122 5.738 -8.269 588 HA ALA 67 HA ALA 67 -3.326 4.005 -7.750 589 HB1 ALA 67 3HB ALA 67 -2.189 3.535 -5.623 590 HB2 ALA 67 1HB ALA 67 -1.092 4.898 -5.893 591 HB3 ALA 67 2HB ALA 67 -1.053 3.502 -6.970 592 H LYS 68 H LYS 68 -2.440 7.288 -6.649 593 HA LYS 68 HA LYS 68 -4.491 7.600 -4.703 594 HB2 LYS 68 2HB LYS 68 -3.021 9.647 -6.406 595 HB3 LYS 68 3HB LYS 68 -4.264 10.122 -5.249 596 HG2 LYS 68 2HG LYS 68 -2.944 9.049 -3.427 597 HG3 LYS 68 3HG LYS 68 -1.680 8.669 -4.596 598 HD2 LYS 68 2HD LYS 68 -2.614 11.469 -3.850 599 HD3 LYS 68 3HD LYS 68 -1.135 10.694 -3.281 600 HE2 LYS 68 2HE LYS 68 -0.279 10.601 -5.580 601 HE3 LYS 68 3HE LYS 68 -1.768 11.337 -6.181 602 HZ1 LYS 68 3HZ LYS 68 -0.126 13.020 -6.001 603 HZ2 LYS 68 1HZ LYS 68 0.265 12.575 -4.422 604 HZ3 LYS 68 2HZ LYS 68 -1.227 13.285 -4.748 605 H GLU 69 H GLU 69 -4.415 8.330 -8.186 606 HA GLU 69 HA GLU 69 -6.944 9.521 -8.491 607 HB2 GLU 69 2HB GLU 69 -5.386 7.833 -10.496 608 HB3 GLU 69 3HB GLU 69 -6.811 8.775 -10.909 609 HG2 GLU 69 2HG GLU 69 -5.647 10.849 -10.425 610 HG3 GLU 69 3HG GLU 69 -4.231 9.966 -9.853 611 H LEU 70 H LEU 70 -5.942 6.132 -8.814 612 HA LEU 70 HA LEU 70 -8.402 4.973 -9.547 613 HB2 LEU 70 2HB LEU 70 -5.978 3.775 -8.125 614 HB3 LEU 70 3HB LEU 70 -7.313 2.812 -8.734 615 HG LEU 70 HG LEU 70 -5.527 4.542 -10.492 616 HD11 LEU 70 1HD1 LEU 70 -4.439 2.473 -11.241 617 HD12 LEU 70 2HD1 LEU 70 -5.388 1.533 -10.087 618 HD13 LEU 70 3HD1 LEU 70 -4.212 2.713 -9.508 619 HD21 LEU 70 3HD2 LEU 70 -7.609 2.464 -11.243 620 HD22 LEU 70 1HD2 LEU 70 -6.549 3.314 -12.369 621 HD23 LEU 70 2HD2 LEU 70 -7.752 4.211 -11.447 622 H ALA 71 H ALA 71 -6.856 5.379 -6.359 623 HA ALA 71 HA ALA 71 -8.753 4.077 -4.750 624 HB1 ALA 71 3HB ALA 71 -7.689 5.306 -2.892 625 HB2 ALA 71 1HB ALA 71 -6.885 6.367 -4.058 626 HB3 ALA 71 2HB ALA 71 -6.487 4.651 -4.002 627 H GLN 72 H GLN 72 -8.593 7.395 -5.915 628 HA GLN 72 HA GLN 72 -10.757 8.419 -4.324 629 HB2 GLN 72 2HB GLN 72 -9.311 9.548 -6.755 630 HB3 GLN 72 3HB GLN 72 -10.521 10.441 -5.831 631 HG2 GLN 72 2HG GLN 72 -9.135 10.465 -3.864 632 HG3 GLN 72 3HG GLN 72 -8.010 9.304 -4.569 633 HE21 GLN 72 1HE2 GLN 72 -6.210 10.587 -4.370 634 HE22 GLN 72 2HE2 GLN 72 -5.964 12.046 -5.262 635 H LYS 73 H LYS 73 -10.470 7.082 -7.609 636 HA LYS 73 HA LYS 73 -13.158 7.587 -8.439 637 HB2 LYS 73 2HB LYS 73 -11.334 5.307 -9.339 638 HB3 LYS 73 3HB LYS 73 -12.791 5.845 -10.162 639 HG2 LYS 73 2HG LYS 73 -10.160 7.300 -9.912 640 HG3 LYS 73 3HG LYS 73 -10.901 6.672 -11.374 641 HD2 LYS 73 2HD LYS 73 -11.978 8.980 -9.712 642 HD3 LYS 73 3HD LYS 73 -11.056 9.140 -11.204 643 HE2 LYS 73 2HE LYS 73 -12.833 8.069 -12.476 644 HE3 LYS 73 3HE LYS 73 -13.742 7.744 -10.995 645 HZ1 LYS 73 3HZ LYS 73 -13.074 10.448 -12.042 646 HZ2 LYS 73 1HZ LYS 73 -13.974 10.126 -10.649 647 HZ3 LYS 73 2HZ LYS 73 -14.579 9.698 -12.165 648 H MET 74 H MET 74 -11.586 5.072 -6.575 649 HA MET 74 HA MET 74 -13.905 3.365 -6.260 650 HB2 MET 74 2HB MET 74 -11.171 3.366 -4.910 651 HB3 MET 74 3HB MET 74 -12.408 2.145 -4.631 652 HG2 MET 74 2HG MET 74 -11.135 2.710 -7.308 653 HG3 MET 74 3HG MET 74 -10.656 1.422 -6.205 654 HE1 MET 74 3HE MET 74 -11.044 0.332 -8.840 655 HE2 MET 74 1HE MET 74 -12.331 -0.871 -8.740 656 HE3 MET 74 2HE MET 74 -11.115 -0.778 -7.470 657 H GLU 75 H GLU 75 -12.998 6.285 -4.938 658 HA GLU 75 HA GLU 75 -13.532 7.569 -3.147 659 HB2 GLU 75 2HB GLU 75 -15.919 5.698 -2.949 660 HB3 GLU 75 3HB GLU 75 -15.794 7.268 -2.165 661 HG2 GLU 75 2HG GLU 75 -15.692 8.368 -4.371 662 HG3 GLU 75 3HG GLU 75 -15.823 6.793 -5.157 663 H ILE 76 H ILE 76 -12.055 4.896 -2.591 664 HA ILE 76 HA ILE 76 -12.678 4.321 0.192 665 HB ILE 76 HB ILE 76 -10.337 3.298 -1.503 666 HG12 ILE 76 2HG1 ILE 76 -12.990 1.890 -0.920 667 HG13 ILE 76 3HG1 ILE 76 -12.612 2.700 -2.435 668 HG21 ILE 76 1HG2 ILE 76 -10.159 1.474 0.167 669 HG22 ILE 76 2HG2 ILE 76 -11.458 2.199 1.113 670 HG23 ILE 76 3HG2 ILE 76 -9.923 3.048 0.930 671 HD11 ILE 76 3HD1 ILE 76 -12.346 0.319 -2.631 672 HD12 ILE 76 1HD1 ILE 76 -11.178 0.307 -1.311 673 HD13 ILE 76 2HD1 ILE 76 -10.791 1.125 -2.827 674 H ASP 77 H ASP 77 -11.581 5.091 1.933 675 HA ASP 77 HA ASP 77 -10.041 7.485 1.668 676 HB2 ASP 77 2HB ASP 77 -11.714 7.084 3.482 677 HB3 ASP 77 3HB ASP 77 -10.681 5.823 4.141 678 H VAL 78 H VAL 78 -7.980 7.294 0.928 679 HA VAL 78 HA VAL 78 -6.193 5.126 1.915 680 HB VAL 78 HB VAL 78 -6.579 5.964 -1.008 681 HG11 VAL 78 1HG1 VAL 78 -4.660 3.874 0.082 682 HG12 VAL 78 2HG1 VAL 78 -4.212 5.438 -0.601 683 HG13 VAL 78 3HG1 VAL 78 -4.967 4.218 -1.624 684 HG21 VAL 78 3HG2 VAL 78 -7.227 3.328 0.348 685 HG22 VAL 78 1HG2 VAL 78 -7.351 3.645 -1.385 686 HG23 VAL 78 2HG2 VAL 78 -8.385 4.511 -0.251 687 H ARG 79 H ARG 79 -4.039 5.629 2.077 688 HA ARG 79 HA ARG 79 -3.031 8.290 1.254 689 HB2 ARG 79 2HB ARG 79 -1.839 6.436 3.401 690 HB3 ARG 79 3HB ARG 79 -1.154 7.965 2.860 691 HG2 ARG 79 2HG ARG 79 -2.176 8.469 4.908 692 HG3 ARG 79 3HG ARG 79 -3.299 9.072 3.690 693 HD2 ARG 79 2HD ARG 79 -4.500 6.777 3.975 694 HD3 ARG 79 3HD ARG 79 -3.560 6.642 5.467 695 HE ARG 79 HE ARG 79 -4.585 8.933 5.980 696 HH11 ARG 79 1HH1 ARG 79 -6.238 6.354 4.262 697 HH12 ARG 79 2HH1 ARG 79 -7.813 6.881 4.759 698 HH21 ARG 79 1HH2 ARG 79 -6.649 9.622 6.577 699 HH22 ARG 79 2HH2 ARG 79 -8.042 8.721 6.065 700 H THR 80 H THR 80 -1.406 8.246 -0.217 701 HA THR 80 HA THR 80 -0.090 5.662 -0.853 702 HB THR 80 HB THR 80 -0.804 7.870 -2.851 703 HG1 THR 80 HG1 THR 80 -2.005 5.293 -2.538 704 HG21 THR 80 3HG2 THR 80 1.169 6.570 -3.550 705 HG22 THR 80 1HG2 THR 80 -0.220 6.196 -4.570 706 HG23 THR 80 2HG2 THR 80 0.279 5.063 -3.312 707 H ARG 81 H ARG 81 2.037 5.753 -0.510 708 HA ARG 81 HA ARG 81 3.452 8.358 -0.279 709 HB2 ARG 81 2HB ARG 81 3.914 5.768 1.280 710 HB3 ARG 81 3HB ARG 81 4.908 7.207 1.414 711 HG2 ARG 81 2HG ARG 81 2.001 6.974 2.219 712 HG3 ARG 81 3HG ARG 81 3.384 6.976 3.310 713 HD2 ARG 81 2HD ARG 81 2.362 9.272 1.616 714 HD3 ARG 81 3HD ARG 81 2.406 9.157 3.378 715 HE ARG 81 HE ARG 81 5.008 8.970 2.165 716 HH11 ARG 81 1HH1 ARG 81 2.633 11.271 3.380 717 HH12 ARG 81 2HH1 ARG 81 3.809 12.524 3.616 718 HH21 ARG 81 1HH2 ARG 81 6.503 10.659 2.375 719 HH22 ARG 81 2HH2 ARG 81 5.991 12.179 3.050 720 H LYS 82 H LYS 82 5.235 8.578 -1.575 721 HA LYS 82 HA LYS 82 6.027 6.396 -3.338 722 HB2 LYS 82 2HB LYS 82 5.740 8.631 -4.319 723 HB3 LYS 82 3HB LYS 82 6.947 9.299 -3.220 724 HG2 LYS 82 2HG LYS 82 8.667 7.783 -4.280 725 HG3 LYS 82 3HG LYS 82 7.438 7.275 -5.442 726 HD2 LYS 82 2HD LYS 82 8.923 9.009 -6.390 727 HD3 LYS 82 3HD LYS 82 7.257 9.579 -6.289 728 HE2 LYS 82 2HE LYS 82 7.790 10.869 -4.282 729 HE3 LYS 82 3HE LYS 82 9.440 10.241 -4.281 730 HZ1 LYS 82 3HZ LYS 82 9.817 11.339 -6.401 731 HZ2 LYS 82 1HZ LYS 82 9.339 12.457 -5.227 732 HZ3 LYS 82 2HZ LYS 82 8.242 11.945 -6.405 733 H VAL 83 H VAL 83 7.445 4.974 -2.616 734 HA VAL 83 HA VAL 83 9.678 5.779 -0.849 735 HB VAL 83 HB VAL 83 9.692 3.516 0.060 736 HG11 VAL 83 1HG1 VAL 83 8.175 5.130 1.121 737 HG12 VAL 83 2HG1 VAL 83 7.511 3.502 1.225 738 HG13 VAL 83 3HG1 VAL 83 6.861 4.642 0.044 739 HG21 VAL 83 3HG2 VAL 83 7.396 2.852 -1.833 740 HG22 VAL 83 1HG2 VAL 83 8.014 1.795 -0.559 741 HG23 VAL 83 2HG2 VAL 83 9.039 2.218 -1.930 742 H THR 84 H THR 84 11.736 5.336 -1.469 743 HA THR 84 HA THR 84 12.217 3.699 -3.898 744 HB THR 84 HB THR 84 14.240 5.095 -4.331 745 HG1 THR 84 HG1 THR 84 14.864 6.609 -2.994 746 HG21 THR 84 3HG2 THR 84 12.149 5.686 -5.503 747 HG22 THR 84 1HG2 THR 84 13.105 7.126 -5.152 748 HG23 THR 84 2HG2 THR 84 11.688 6.748 -4.170 749 H SER 85 H SER 85 13.308 4.604 -0.657 750 HA SER 85 HA SER 85 15.254 2.409 -0.528 751 HB2 SER 85 2HB SER 85 14.509 4.531 1.541 752 HB3 SER 85 3HB SER 85 15.875 3.414 1.637 753 HG SER 85 HG SER 85 16.275 5.644 0.837 754 HA PRO 86 HA PRO 86 12.306 -0.366 1.489 755 HB2 PRO 86 2HB PRO 86 14.000 -1.792 3.178 756 HB3 PRO 86 3HB PRO 86 13.881 -2.072 1.429 757 HG2 PRO 86 2HG PRO 86 15.910 -0.429 2.918 758 HG3 PRO 86 3HG PRO 86 16.158 -1.614 1.611 759 HD2 PRO 86 2HD PRO 86 16.157 1.006 1.068 760 HD3 PRO 86 3HD PRO 86 15.401 -0.148 -0.053 761 H ASP 87 H ASP 87 14.514 1.530 3.427 762 HA ASP 87 HA ASP 87 13.507 1.393 5.993 763 HB2 ASP 87 2HB ASP 87 14.606 3.891 4.598 764 HB3 ASP 87 3HB ASP 87 14.543 3.624 6.337 765 H GLU 88 H GLU 88 12.436 3.351 3.289 766 HA GLU 88 HA GLU 88 10.619 5.046 4.664 767 HB2 GLU 88 2HB GLU 88 10.659 4.297 1.707 768 HB3 GLU 88 3HB GLU 88 9.894 5.714 2.414 769 HG2 GLU 88 2HG GLU 88 12.857 5.140 2.305 770 HG3 GLU 88 3HG GLU 88 11.984 6.304 1.313 771 H ALA 89 H ALA 89 10.254 2.108 2.709 772 HA ALA 89 HA ALA 89 7.427 2.007 2.651 773 HB1 ALA 89 3HB ALA 89 9.424 -0.266 2.344 774 HB2 ALA 89 1HB ALA 89 8.837 0.779 1.051 775 HB3 ALA 89 2HB ALA 89 7.723 -0.318 1.870 776 H LYS 90 H LYS 90 9.841 0.617 4.842 777 HA LYS 90 HA LYS 90 8.100 -0.949 6.443 778 HB2 LYS 90 2HB LYS 90 10.840 0.248 7.064 779 HB3 LYS 90 3HB LYS 90 10.046 -1.004 8.011 780 HG2 LYS 90 2HG LYS 90 10.257 -2.603 6.194 781 HG3 LYS 90 3HG LYS 90 10.856 -1.346 5.111 782 HD2 LYS 90 2HD LYS 90 12.796 -2.547 5.810 783 HD3 LYS 90 3HD LYS 90 12.816 -1.041 6.726 784 HE2 LYS 90 2HE LYS 90 13.401 -2.765 8.260 785 HE3 LYS 90 3HE LYS 90 11.731 -2.347 8.637 786 HZ1 LYS 90 3HZ LYS 90 12.083 -4.744 8.591 787 HZ2 LYS 90 1HZ LYS 90 12.611 -4.657 6.985 788 HZ3 LYS 90 2HZ LYS 90 11.007 -4.284 7.371 789 H ARG 91 H ARG 91 9.522 2.321 6.822 790 HA ARG 91 HA ARG 91 8.712 2.848 9.435 791 HB2 ARG 91 2HB ARG 91 10.351 4.301 8.293 792 HB3 ARG 91 3HB ARG 91 9.111 4.862 7.173 793 HG2 ARG 91 2HG ARG 91 7.846 5.746 9.232 794 HG3 ARG 91 3HG ARG 91 9.306 5.411 10.153 795 HD2 ARG 91 2HD ARG 91 10.564 7.040 8.842 796 HD3 ARG 91 3HD ARG 91 9.183 7.276 7.759 797 HE ARG 91 HE ARG 91 8.625 7.809 10.549 798 HH11 ARG 91 1HH1 ARG 91 9.739 9.263 7.539 799 HH12 ARG 91 2HH1 ARG 91 9.326 10.875 8.036 800 HH21 ARG 91 1HH2 ARG 91 8.050 9.909 11.179 801 HH22 ARG 91 2HH2 ARG 91 8.364 11.247 10.109 802 H TRP 92 H TRP 92 7.113 3.836 6.358 803 HA TRP 92 HA TRP 92 5.017 5.213 7.501 804 HB2 TRP 92 2HB TRP 92 5.063 3.742 4.842 805 HB3 TRP 92 3HB TRP 92 3.854 4.933 5.307 806 HD1 TRP 92 HD1 TRP 92 6.353 4.917 2.945 807 HE1 TRP 92 HE1 TRP 92 7.604 7.137 2.646 808 HE3 TRP 92 HE3 TRP 92 5.124 7.155 7.374 809 HZ2 TRP 92 HZ2 TRP 92 8.014 9.509 4.063 810 HZ3 TRP 92 HZ3 TRP 92 5.993 9.412 7.826 811 HH2 TRP 92 HH2 TRP 92 7.410 10.566 6.203 812 H ILE 93 H ILE 93 5.334 1.734 7.082 813 HA ILE 93 HA ILE 93 2.574 1.058 7.505 814 HB ILE 93 HB ILE 93 5.114 -0.618 7.794 815 HG12 ILE 93 2HG1 ILE 93 3.043 -0.572 5.546 816 HG13 ILE 93 3HG1 ILE 93 4.593 0.255 5.486 817 HG21 ILE 93 1HG2 ILE 93 3.322 -1.615 9.169 818 HG22 ILE 93 2HG2 ILE 93 3.667 -2.625 7.767 819 HG23 ILE 93 3HG2 ILE 93 2.229 -1.600 7.781 820 HD11 ILE 93 3HD1 ILE 93 5.744 -1.896 5.646 821 HD12 ILE 93 1HD1 ILE 93 4.675 -1.798 4.245 822 HD13 ILE 93 2HD1 ILE 93 4.179 -2.721 5.664 823 H LYS 94 H LYS 94 5.509 1.144 9.619 824 HA LYS 94 HA LYS 94 4.260 0.512 12.051 825 HB2 LYS 94 2HB LYS 94 6.736 0.644 11.771 826 HB3 LYS 94 3HB LYS 94 6.630 2.397 11.640 827 HG2 LYS 94 2HG LYS 94 5.729 2.504 13.950 828 HG3 LYS 94 3HG LYS 94 5.863 0.755 14.086 829 HD2 LYS 94 2HD LYS 94 8.215 2.636 13.651 830 HD3 LYS 94 3HD LYS 94 7.700 2.028 15.219 831 HE2 LYS 94 2HE LYS 94 9.486 0.622 14.649 832 HE3 LYS 94 3HE LYS 94 8.074 -0.331 14.201 833 HZ1 LYS 94 3HZ LYS 94 8.417 0.371 11.893 834 HZ2 LYS 94 1HZ LYS 94 9.768 -0.429 12.506 835 HZ3 LYS 94 2HZ LYS 94 9.781 1.249 12.349 836 H GLU 95 H GLU 95 4.680 3.696 10.485 837 HA GLU 95 HA GLU 95 3.588 5.357 12.469 838 HB2 GLU 95 2HB GLU 95 3.447 5.729 9.443 839 HB3 GLU 95 3HB GLU 95 3.264 6.997 10.643 840 HG2 GLU 95 2HG GLU 95 5.811 5.404 10.287 841 HG3 GLU 95 3HG GLU 95 5.489 6.901 9.430 842 H PHE 96 H PHE 96 2.116 3.764 9.691 843 HA PHE 96 HA PHE 96 -0.516 4.714 9.829 844 HB2 PHE 96 2HB PHE 96 0.621 3.623 7.873 845 HB3 PHE 96 3HB PHE 96 0.513 2.076 8.693 846 HD1 PHE 96 HD1 PHE 96 -1.775 4.895 7.656 847 HD2 PHE 96 HD2 PHE 96 -1.187 0.667 7.942 848 HE1 PHE 96 HE1 PHE 96 -3.915 4.511 6.492 849 HE2 PHE 96 HE2 PHE 96 -3.326 0.298 6.793 850 HZ PHE 96 HZ PHE 96 -4.684 2.212 6.070 851 H SER 97 H SER 97 1.067 2.158 11.569 852 HA SER 97 HA SER 97 -1.330 0.996 12.701 853 HB2 SER 97 2HB SER 97 1.573 0.684 13.581 854 HB3 SER 97 3HB SER 97 0.221 -0.359 14.023 855 HG SER 97 HG SER 97 0.823 0.010 11.303 856 H GLU 98 H GLU 98 1.369 3.054 13.971 857 HA GLU 98 HA GLU 98 0.438 3.085 16.633 858 HB2 GLU 98 2HB GLU 98 2.356 5.017 15.280 859 HB3 GLU 98 3HB GLU 98 2.143 4.844 17.016 860 HG2 GLU 98 2HG GLU 98 3.328 2.843 15.091 861 HG3 GLU 98 3HG GLU 98 4.140 3.672 16.411 862 H GLU 99 H GLU 99 -0.005 5.411 14.000 863 HA GLU 99 HA GLU 99 -1.394 7.406 15.484 864 HB2 GLU 99 2HB GLU 99 -1.499 6.768 12.498 865 HB3 GLU 99 3HB GLU 99 -2.088 8.252 13.243 866 HG2 GLU 99 2HG GLU 99 0.169 8.898 13.892 867 HG3 GLU 99 3HG GLU 99 0.798 7.339 13.355 868 H GLY 100 H GLY 100 -2.380 4.500 13.723 869 HA2 GLY 100 2HA GLY 100 -4.247 3.173 13.866 870 HA3 GLY 100 3HA GLY 100 -4.833 4.180 15.182 871 H GLY 101 H GLY 101 -5.892 6.208 14.610 872 HA2 GLY 101 2HA GLY 101 -7.210 7.648 13.425 873 HA3 GLY 101 3HA GLY 101 -6.449 7.042 11.959 874 H SER 102 H SER 102 -9.180 6.795 14.097 875 HA SER 102 HA SER 102 -10.479 4.592 12.680 876 HB2 SER 102 2HB SER 102 -11.365 6.366 15.006 877 HB3 SER 102 3HB SER 102 -12.233 4.934 14.438 878 HG SER 102 HG SER 102 -9.513 4.734 15.153 879 H LEU 103 H LEU 103 -10.090 6.366 10.772 880 HA LEU 103 HA LEU 103 -10.776 7.888 9.276 881 HB2 LEU 103 2HB LEU 103 -13.576 7.200 10.242 882 HB3 LEU 103 3HB LEU 103 -13.206 8.127 8.805 883 HG LEU 103 HG LEU 103 -12.673 5.169 9.246 884 HD11 LEU 103 1HD1 LEU 103 -14.993 5.702 8.727 885 HD12 LEU 103 2HD1 LEU 103 -14.239 4.888 7.361 886 HD13 LEU 103 3HD1 LEU 103 -14.499 6.634 7.309 887 HD21 LEU 103 3HD2 LEU 103 -10.781 6.119 7.993 888 HD22 LEU 103 1HD2 LEU 103 -11.894 6.843 6.830 889 HD23 LEU 103 2HD2 LEU 103 -11.768 5.086 6.964 890 H GLU 104 H GLU 104 -9.767 9.668 10.261 891 HA GLU 104 HA GLU 104 -10.924 10.970 12.545 892 HB2 GLU 104 2HB GLU 104 -8.487 11.714 10.904 893 HB3 GLU 104 3HB GLU 104 -8.960 12.496 12.408 894 HG2 GLU 104 2HG GLU 104 -8.094 9.615 12.040 895 HG3 GLU 104 3HG GLU 104 -7.223 10.888 12.886 896 H HIS 105 H HIS 105 -12.870 11.610 11.857 897 HA HIS 105 HA HIS 105 -13.145 14.345 11.169 898 HB2 HIS 105 2HB HIS 105 -14.766 13.990 9.232 899 HB3 HIS 105 3HB HIS 105 -13.089 13.650 8.830 900 HD1 HIS 105 HD1 HIS 105 -12.755 11.552 7.563 901 HD2 HIS 105 HD2 HIS 105 -16.248 11.385 9.818 902 HE1 HIS 105 HE1 HIS 105 -13.858 9.386 6.949 903 HE2 HIS 105 HE2 HIS 105 -16.048 9.406 8.162 904 H HIS 106 H HIS 106 -15.678 14.849 11.251 905 HA HIS 106 HA HIS 106 -16.808 13.532 13.516 906 HB2 HIS 106 2HB HIS 106 -17.443 15.906 12.880 907 HB3 HIS 106 3HB HIS 106 -18.343 15.259 11.508 908 HD1 HIS 106 HD1 HIS 106 -18.573 15.807 15.164 909 HD2 HIS 106 HD2 HIS 106 -20.718 13.729 12.261 910 HE1 HIS 106 HE1 HIS 106 -20.743 15.160 16.254 911 HE2 HIS 106 HE2 HIS 106 -21.922 13.740 14.557 912 H HIS 107 H HIS 107 -17.367 11.481 13.436 913 HA HIS 107 HA HIS 107 -17.971 9.958 11.146 914 HB2 HIS 107 2HB HIS 107 -17.108 8.821 13.110 915 HB3 HIS 107 3HB HIS 107 -18.451 9.387 14.099 916 HD1 HIS 107 HD1 HIS 107 -20.455 7.920 14.226 917 HD2 HIS 107 HD2 HIS 107 -17.944 6.821 11.111 918 HE1 HIS 107 HE1 HIS 107 -21.469 5.852 13.260 919 HE2 HIS 107 HE2 HIS 107 -19.877 5.136 11.452 920 H HIS 108 H HIS 108 -19.686 10.326 9.924 921 HA HIS 108 HA HIS 108 -22.375 10.708 11.007 922 HB2 HIS 108 2HB HIS 108 -21.330 10.447 8.156 923 HB3 HIS 108 3HB HIS 108 -23.036 10.661 8.547 924 HD1 HIS 108 HD1 HIS 108 -20.753 12.626 7.066 925 HD2 HIS 108 HD2 HIS 108 -22.819 13.151 10.639 926 HE1 HIS 108 HE1 HIS 108 -20.773 15.108 7.474 927 HE2 HIS 108 HE2 HIS 108 -21.895 15.376 9.705 928 H HIS 109 H HIS 109 -24.054 9.181 10.608 929 HA HIS 109 HA HIS 109 -23.239 6.438 10.972 930 HB2 HIS 109 2HB HIS 109 -26.018 7.685 10.808 931 HB3 HIS 109 3HB HIS 109 -25.708 5.989 11.176 932 HD1 HIS 109 HD1 HIS 109 -24.538 5.465 13.466 933 HD2 HIS 109 HD2 HIS 109 -25.629 9.445 12.959 934 HE1 HIS 109 HE1 HIS 109 -24.373 6.504 15.740 935 HE2 HIS 109 HE2 HIS 109 -25.176 8.864 15.438 936 H HIS 110 H HIS 110 -22.209 5.897 9.101 937 HA HIS 110 HA HIS 110 -23.756 5.777 6.571 938 HB2 HIS 110 2HB HIS 110 -21.708 7.206 6.514 939 HB3 HIS 110 3HB HIS 110 -20.726 5.837 7.016 940 HD1 HIS 110 HD1 HIS 110 -22.296 7.414 4.064 941 HD2 HIS 110 HD2 HIS 110 -20.294 3.883 4.952 942 HE1 HIS 110 HE1 HIS 110 -21.659 6.425 1.849 943 HE2 HIS 110 HE2 HIS 110 -20.626 4.205 2.405 Start of MODEL 20 1 H1 MET 1 1H MET 1 -10.924 -2.580 13.639 2 H2 MET 1 2H MET 1 -10.656 -1.228 14.619 3 H3 MET 1 3H MET 1 -9.352 -2.160 14.091 4 HA MET 1 HA MET 1 -11.167 -0.599 12.355 5 HB2 MET 1 2HB MET 1 -9.564 0.735 13.849 6 HB3 MET 1 3HB MET 1 -8.234 -0.025 12.985 7 HG2 MET 1 2HG MET 1 -8.573 2.139 12.031 8 HG3 MET 1 3HG MET 1 -9.185 0.969 10.858 9 HE1 MET 1 3HE MET 1 -11.600 4.131 10.553 10 HE2 MET 1 1HE MET 1 -10.422 3.133 9.697 11 HE3 MET 1 2HE MET 1 -9.896 4.202 10.999 12 H LEU 2 H LEU 2 -11.162 -1.347 10.302 13 HA LEU 2 HA LEU 2 -9.644 -3.618 9.470 14 HB2 LEU 2 2HB LEU 2 -11.130 -1.717 7.617 15 HB3 LEU 2 3HB LEU 2 -10.803 -3.422 7.360 16 HG LEU 2 HG LEU 2 -12.726 -2.307 9.443 17 HD11 LEU 2 1HD1 LEU 2 -13.357 -3.616 6.780 18 HD12 LEU 2 2HD1 LEU 2 -13.543 -1.903 7.173 19 HD13 LEU 2 3HD1 LEU 2 -14.527 -3.106 8.001 20 HD21 LEU 2 3HD2 LEU 2 -11.789 -4.451 10.154 21 HD22 LEU 2 1HD2 LEU 2 -12.239 -5.187 8.613 22 HD23 LEU 2 2HD2 LEU 2 -13.489 -4.627 9.728 23 H LEU 3 H LEU 3 -7.425 -3.424 9.138 24 HA LEU 3 HA LEU 3 -6.415 -1.032 7.684 25 HB2 LEU 3 2HB LEU 3 -4.978 -2.753 9.740 26 HB3 LEU 3 3HB LEU 3 -4.286 -1.372 8.903 27 HG LEU 3 HG LEU 3 -6.568 -1.299 10.917 28 HD11 LEU 3 1HD1 LEU 3 -3.748 -0.199 11.128 29 HD12 LEU 3 2HD1 LEU 3 -4.384 -1.615 11.968 30 HD13 LEU 3 3HD1 LEU 3 -5.031 -0.018 12.332 31 HD21 LEU 3 3HD2 LEU 3 -6.990 0.362 9.201 32 HD22 LEU 3 1HD2 LEU 3 -5.347 0.996 9.358 33 HD23 LEU 3 2HD2 LEU 3 -6.492 1.151 10.694 34 H TYR 4 H TYR 4 -5.644 -1.379 5.738 35 HA TYR 4 HA TYR 4 -4.375 -3.965 5.040 36 HB2 TYR 4 2HB TYR 4 -6.410 -2.362 3.432 37 HB3 TYR 4 3HB TYR 4 -5.340 -3.534 2.670 38 HD1 TYR 4 HD1 TYR 4 -5.623 -5.953 3.062 39 HD2 TYR 4 HD2 TYR 4 -8.280 -3.146 4.896 40 HE1 TYR 4 HE1 TYR 4 -7.176 -7.774 3.598 41 HE2 TYR 4 HE2 TYR 4 -9.838 -4.979 5.428 42 HH TYR 4 HH TYR 4 -8.968 -8.284 5.152 43 H VAL 5 H VAL 5 -2.566 -3.850 3.878 44 HA VAL 5 HA VAL 5 -1.497 -1.234 2.990 45 HB VAL 5 HB VAL 5 0.043 -3.688 4.003 46 HG11 VAL 5 1HG1 VAL 5 2.094 -2.325 3.776 47 HG12 VAL 5 2HG1 VAL 5 1.155 -1.024 3.041 48 HG13 VAL 5 3HG1 VAL 5 1.314 -2.571 2.208 49 HG21 VAL 5 3HG2 VAL 5 -0.265 -0.928 5.241 50 HG22 VAL 5 1HG2 VAL 5 0.732 -2.239 5.878 51 HG23 VAL 5 2HG2 VAL 5 -1.024 -2.414 5.820 52 H LEU 6 H LEU 6 -0.760 -1.132 0.947 53 HA LEU 6 HA LEU 6 -0.657 -3.500 -0.812 54 HB2 LEU 6 2HB LEU 6 -1.487 -0.668 -1.635 55 HB3 LEU 6 3HB LEU 6 -1.469 -2.091 -2.666 56 HG LEU 6 HG LEU 6 -3.382 -1.575 -0.351 57 HD11 LEU 6 1HD1 LEU 6 -3.901 -0.221 -2.335 58 HD12 LEU 6 2HD1 LEU 6 -5.140 -1.436 -2.039 59 HD13 LEU 6 3HD1 LEU 6 -3.958 -1.679 -3.331 60 HD21 LEU 6 3HD2 LEU 6 -3.245 -3.959 -2.207 61 HD22 LEU 6 1HD2 LEU 6 -4.537 -3.627 -1.052 62 HD23 LEU 6 2HD2 LEU 6 -2.906 -3.944 -0.475 63 H ILE 7 H ILE 7 1.195 -3.482 -2.197 64 HA ILE 7 HA ILE 7 2.974 -1.131 -2.021 65 HB ILE 7 HB ILE 7 3.854 -2.643 -0.332 66 HG12 ILE 7 2HG1 ILE 7 5.633 -2.696 -2.810 67 HG13 ILE 7 3HG1 ILE 7 5.454 -1.323 -1.724 68 HG21 ILE 7 1HG2 ILE 7 4.096 -4.799 -2.458 69 HG22 ILE 7 2HG2 ILE 7 2.948 -4.797 -1.119 70 HG23 ILE 7 3HG2 ILE 7 4.680 -4.917 -0.795 71 HD11 ILE 7 3HD1 ILE 7 6.454 -2.602 0.078 72 HD12 ILE 7 1HD1 ILE 7 7.510 -2.545 -1.329 73 HD13 ILE 7 2HD1 ILE 7 6.599 -4.009 -0.977 74 H ILE 8 H ILE 8 3.286 -0.431 -3.992 75 HA ILE 8 HA ILE 8 3.455 -2.247 -6.305 76 HB ILE 8 HB ILE 8 3.404 0.814 -6.298 77 HG12 ILE 8 2HG1 ILE 8 1.022 -1.067 -6.612 78 HG13 ILE 8 3HG1 ILE 8 1.349 -0.085 -5.195 79 HG21 ILE 8 1HG2 ILE 8 4.272 -0.206 -8.377 80 HG22 ILE 8 2HG2 ILE 8 2.722 0.589 -8.661 81 HG23 ILE 8 3HG2 ILE 8 2.797 -1.169 -8.529 82 HD11 ILE 8 3HD1 ILE 8 0.683 0.938 -7.945 83 HD12 ILE 8 1HD1 ILE 8 1.034 1.927 -6.522 84 HD13 ILE 8 2HD1 ILE 8 -0.379 0.878 -6.538 85 H SER 9 H SER 9 5.509 -3.042 -6.247 86 HA SER 9 HA SER 9 7.783 -1.279 -6.633 87 HB2 SER 9 2HB SER 9 7.647 -1.420 -4.154 88 HB3 SER 9 3HB SER 9 7.644 -3.181 -4.239 89 HG SER 9 HG SER 9 9.739 -1.360 -4.687 90 H ASN 10 H ASN 10 9.135 -2.208 -8.059 91 HA ASN 10 HA ASN 10 8.974 -5.038 -8.758 92 HB2 ASN 10 2HB ASN 10 10.855 -2.842 -9.745 93 HB3 ASN 10 3HB ASN 10 10.787 -4.475 -10.401 94 HD21 ASN 10 1HD2 ASN 10 10.358 -1.952 -11.765 95 HD22 ASN 10 2HD2 ASN 10 8.767 -2.020 -12.434 96 H ASP 11 H ASP 11 10.652 -3.056 -6.548 97 HA ASP 11 HA ASP 11 13.097 -4.545 -6.253 98 HB2 ASP 11 2HB ASP 11 11.849 -2.689 -4.177 99 HB3 ASP 11 3HB ASP 11 13.547 -3.117 -4.354 100 H LYS 12 H LYS 12 12.653 -6.673 -5.851 101 HA LYS 12 HA LYS 12 10.500 -7.707 -4.380 102 HB2 LYS 12 2HB LYS 12 13.145 -8.982 -5.185 103 HB3 LYS 12 3HB LYS 12 11.822 -9.884 -4.456 104 HG2 LYS 12 2HG LYS 12 11.676 -8.401 -7.102 105 HG3 LYS 12 3HG LYS 12 11.905 -10.143 -6.914 106 HD2 LYS 12 2HD LYS 12 9.676 -10.245 -5.732 107 HD3 LYS 12 3HD LYS 12 9.453 -8.531 -6.097 108 HE2 LYS 12 2HE LYS 12 9.505 -9.014 -8.505 109 HE3 LYS 12 3HE LYS 12 9.811 -10.723 -8.175 110 HZ1 LYS 12 3HZ LYS 12 7.494 -10.347 -8.670 111 HZ2 LYS 12 1HZ LYS 12 7.363 -9.211 -7.428 112 HZ3 LYS 12 2HZ LYS 12 7.649 -10.835 -7.061 113 H LYS 13 H LYS 13 13.747 -6.831 -3.372 114 HA LYS 13 HA LYS 13 13.683 -8.094 -0.785 115 HB2 LYS 13 2HB LYS 13 15.494 -5.889 -1.862 116 HB3 LYS 13 3HB LYS 13 15.765 -6.796 -0.375 117 HG2 LYS 13 2HG LYS 13 15.986 -8.894 -1.700 118 HG3 LYS 13 3HG LYS 13 15.737 -7.965 -3.183 119 HD2 LYS 13 2HD LYS 13 18.139 -8.400 -2.829 120 HD3 LYS 13 3HD LYS 13 17.800 -6.670 -2.728 121 HE2 LYS 13 2HE LYS 13 17.838 -6.809 -0.259 122 HE3 LYS 13 3HE LYS 13 18.160 -8.540 -0.361 123 HZ1 LYS 13 3HZ LYS 13 19.942 -6.392 -1.381 124 HZ2 LYS 13 1HZ LYS 13 20.251 -8.052 -1.464 125 HZ3 LYS 13 2HZ LYS 13 20.173 -7.281 0.038 126 H LEU 14 H LEU 14 12.955 -4.853 -2.030 127 HA LEU 14 HA LEU 14 12.463 -3.560 0.452 128 HB2 LEU 14 2HB LEU 14 12.918 -2.462 -1.752 129 HB3 LEU 14 3HB LEU 14 11.333 -2.940 -2.308 130 HG LEU 14 HG LEU 14 11.584 -1.130 0.123 131 HD11 LEU 14 1HD1 LEU 14 11.676 -0.151 -2.752 132 HD12 LEU 14 2HD1 LEU 14 12.994 -0.071 -1.579 133 HD13 LEU 14 3HD1 LEU 14 11.526 0.862 -1.310 134 HD21 LEU 14 3HD2 LEU 14 9.419 -0.233 -0.642 135 HD22 LEU 14 1HD2 LEU 14 9.337 -1.978 -0.398 136 HD23 LEU 14 2HD2 LEU 14 9.447 -1.323 -2.032 137 H ILE 15 H ILE 15 10.449 -5.475 -1.749 138 HA ILE 15 HA ILE 15 7.946 -5.198 -0.446 139 HB ILE 15 HB ILE 15 8.980 -7.528 -2.132 140 HG12 ILE 15 2HG1 ILE 15 7.201 -5.184 -2.964 141 HG13 ILE 15 3HG1 ILE 15 8.915 -5.318 -3.332 142 HG21 ILE 15 1HG2 ILE 15 7.084 -8.263 -0.753 143 HG22 ILE 15 2HG2 ILE 15 6.592 -8.143 -2.444 144 HG23 ILE 15 3HG2 ILE 15 6.126 -6.883 -1.302 145 HD11 ILE 15 3HD1 ILE 15 7.549 -5.911 -5.238 146 HD12 ILE 15 1HD1 ILE 15 6.754 -7.183 -4.312 147 HD13 ILE 15 2HD1 ILE 15 8.477 -7.301 -4.685 148 H GLU 16 H GLU 16 10.612 -7.514 -0.082 149 HA GLU 16 HA GLU 16 9.474 -9.213 1.859 150 HB2 GLU 16 2HB GLU 16 12.394 -8.556 1.279 151 HB3 GLU 16 3HB GLU 16 11.886 -9.812 2.409 152 HG2 GLU 16 2HG GLU 16 10.751 -11.023 0.597 153 HG3 GLU 16 3HG GLU 16 11.178 -9.749 -0.541 154 H GLU 17 H GLU 17 11.399 -6.249 2.173 155 HA GLU 17 HA GLU 17 11.589 -6.130 4.979 156 HB2 GLU 17 2HB GLU 17 11.645 -3.955 2.849 157 HB3 GLU 17 3HB GLU 17 11.906 -3.606 4.550 158 HG2 GLU 17 2HG GLU 17 13.622 -5.335 2.757 159 HG3 GLU 17 3HG GLU 17 14.042 -3.769 3.454 160 H ALA 18 H ALA 18 9.164 -4.822 2.746 161 HA ALA 18 HA ALA 18 7.578 -3.434 4.632 162 HB1 ALA 18 3HB ALA 18 5.899 -3.335 2.833 163 HB2 ALA 18 1HB ALA 18 6.809 -4.543 1.913 164 HB3 ALA 18 2HB ALA 18 7.510 -2.955 2.224 165 H ARG 19 H ARG 19 7.333 -6.696 3.254 166 HA ARG 19 HA ARG 19 4.849 -7.438 4.346 167 HB2 ARG 19 2HB ARG 19 5.993 -8.620 2.440 168 HB3 ARG 19 3HB ARG 19 7.135 -9.315 3.591 169 HG2 ARG 19 2HG ARG 19 5.182 -10.388 4.778 170 HG3 ARG 19 3HG ARG 19 4.130 -9.791 3.495 171 HD2 ARG 19 2HD ARG 19 6.369 -11.809 3.257 172 HD3 ARG 19 3HD ARG 19 4.645 -12.090 3.023 173 HE ARG 19 HE ARG 19 6.474 -10.684 1.204 174 HH11 ARG 19 1HH1 ARG 19 3.272 -12.049 1.746 175 HH12 ARG 19 2HH1 ARG 19 2.839 -11.971 0.069 176 HH21 ARG 19 1HH2 ARG 19 5.910 -10.619 -0.962 177 HH22 ARG 19 2HH2 ARG 19 4.340 -11.158 -1.466 178 H LYS 20 H LYS 20 8.177 -7.983 5.505 179 HA LYS 20 HA LYS 20 7.530 -9.545 7.777 180 HB2 LYS 20 2HB LYS 20 9.988 -7.838 7.211 181 HB3 LYS 20 3HB LYS 20 9.845 -8.922 8.595 182 HG2 LYS 20 2HG LYS 20 9.576 -10.845 7.053 183 HG3 LYS 20 3HG LYS 20 9.761 -9.763 5.676 184 HD2 LYS 20 2HD LYS 20 11.896 -10.189 7.805 185 HD3 LYS 20 3HD LYS 20 11.833 -11.081 6.289 186 HE2 LYS 20 2HE LYS 20 13.437 -9.360 5.964 187 HE3 LYS 20 3HE LYS 20 12.002 -8.824 5.096 188 HZ1 LYS 20 3HZ LYS 20 13.099 -7.064 6.384 189 HZ2 LYS 20 1HZ LYS 20 12.794 -7.912 7.815 190 HZ3 LYS 20 2HZ LYS 20 11.507 -7.312 6.896 191 H MET 21 H MET 21 7.736 -6.067 7.277 192 HA MET 21 HA MET 21 7.322 -5.237 9.965 193 HB2 MET 21 2HB MET 21 6.816 -3.905 7.282 194 HB3 MET 21 3HB MET 21 6.395 -3.107 8.791 195 HG2 MET 21 2HG MET 21 9.158 -4.016 7.986 196 HG3 MET 21 3HG MET 21 8.557 -2.361 7.971 197 HE1 MET 21 3HE MET 21 7.913 -1.876 11.897 198 HE2 MET 21 1HE MET 21 6.762 -2.603 10.777 199 HE3 MET 21 2HE MET 21 7.659 -1.152 10.309 200 H ALA 22 H ALA 22 5.100 -5.915 7.274 201 HA ALA 22 HA ALA 22 2.715 -5.073 8.510 202 HB1 ALA 22 3HB ALA 22 1.576 -6.266 6.697 203 HB2 ALA 22 1HB ALA 22 3.076 -7.113 6.291 204 HB3 ALA 22 2HB ALA 22 2.960 -5.365 6.079 205 H GLU 23 H GLU 23 4.389 -8.214 8.563 206 HA GLU 23 HA GLU 23 2.478 -9.868 9.793 207 HB2 GLU 23 2HB GLU 23 5.491 -9.868 10.316 208 HB3 GLU 23 3HB GLU 23 4.388 -11.195 10.668 209 HG2 GLU 23 2HG GLU 23 3.940 -11.454 8.248 210 HG3 GLU 23 3HG GLU 23 5.071 -10.141 7.913 211 H LYS 24 H LYS 24 4.927 -7.796 11.206 212 HA LYS 24 HA LYS 24 4.323 -8.347 13.946 213 HB2 LYS 24 2HB LYS 24 6.099 -6.246 12.641 214 HB3 LYS 24 3HB LYS 24 6.115 -6.661 14.358 215 HG2 LYS 24 2HG LYS 24 6.940 -8.885 13.907 216 HG3 LYS 24 3HG LYS 24 6.671 -8.698 12.171 217 HD2 LYS 24 2HD LYS 24 8.443 -6.933 12.123 218 HD3 LYS 24 3HD LYS 24 8.742 -7.220 13.842 219 HE2 LYS 24 2HE LYS 24 10.383 -8.404 12.423 220 HE3 LYS 24 3HE LYS 24 9.405 -9.538 13.356 221 HZ1 LYS 24 3HZ LYS 24 9.015 -8.862 10.483 222 HZ2 LYS 24 1HZ LYS 24 8.055 -9.935 11.373 223 HZ3 LYS 24 2HZ LYS 24 9.679 -10.288 11.090 224 H ALA 25 H ALA 25 3.443 -5.855 11.643 225 HA ALA 25 HA ALA 25 2.205 -4.085 13.567 226 HB1 ALA 25 3HB ALA 25 2.280 -4.041 10.524 227 HB2 ALA 25 1HB ALA 25 3.392 -3.202 11.610 228 HB3 ALA 25 2HB ALA 25 1.693 -2.737 11.561 229 H ASN 26 H ASN 26 1.262 -6.933 11.989 230 HA ASN 26 HA ASN 26 -0.635 -8.168 11.943 231 HB2 ASN 26 2HB ASN 26 -1.910 -5.949 13.611 232 HB3 ASN 26 3HB ASN 26 -2.620 -7.528 13.311 233 HD21 ASN 26 1HD2 ASN 26 -0.082 -5.808 15.011 234 HD22 ASN 26 2HD2 ASN 26 0.297 -7.083 16.116 235 H LEU 27 H LEU 27 -0.079 -5.899 10.002 236 HA LEU 27 HA LEU 27 -2.754 -5.223 8.970 237 HB2 LEU 27 2HB LEU 27 -0.075 -4.407 7.774 238 HB3 LEU 27 3HB LEU 27 -1.634 -3.620 7.580 239 HG LEU 27 HG LEU 27 0.016 -3.660 10.133 240 HD11 LEU 27 1HD1 LEU 27 0.390 -1.267 9.726 241 HD12 LEU 27 2HD1 LEU 27 -0.428 -1.409 8.167 242 HD13 LEU 27 3HD1 LEU 27 1.075 -2.281 8.459 243 HD21 LEU 27 3HD2 LEU 27 -2.571 -2.188 9.576 244 HD22 LEU 27 1HD2 LEU 27 -1.576 -2.026 11.026 245 HD23 LEU 27 2HD2 LEU 27 -2.358 -3.563 10.664 246 H GLU 28 H GLU 28 -3.582 -6.093 7.026 247 HA GLU 28 HA GLU 28 -2.236 -8.428 5.899 248 HB2 GLU 28 2HB GLU 28 -4.876 -7.132 5.066 249 HB3 GLU 28 3HB GLU 28 -4.238 -8.642 4.430 250 HG2 GLU 28 2HG GLU 28 -5.874 -9.298 5.985 251 HG3 GLU 28 3HG GLU 28 -4.343 -9.542 6.820 252 H LEU 29 H LEU 29 -0.871 -8.305 4.224 253 HA LEU 29 HA LEU 29 -0.687 -5.776 2.689 254 HB2 LEU 29 2HB LEU 29 1.225 -6.270 4.179 255 HB3 LEU 29 3HB LEU 29 1.517 -7.778 3.338 256 HG LEU 29 HG LEU 29 1.576 -5.234 1.693 257 HD11 LEU 29 1HD1 LEU 29 3.894 -6.038 3.468 258 HD12 LEU 29 2HD1 LEU 29 2.885 -4.604 3.667 259 HD13 LEU 29 3HD1 LEU 29 3.906 -4.768 2.239 260 HD21 LEU 29 3HD2 LEU 29 3.253 -7.765 1.603 261 HD22 LEU 29 1HD2 LEU 29 3.385 -6.402 0.485 262 HD23 LEU 29 2HD2 LEU 29 1.907 -7.358 0.534 263 H ARG 30 H ARG 30 -1.115 -5.873 0.621 264 HA ARG 30 HA ARG 30 -1.180 -8.445 -0.854 265 HB2 ARG 30 2HB ARG 30 -2.548 -5.844 -1.657 266 HB3 ARG 30 3HB ARG 30 -2.806 -7.437 -2.340 267 HG2 ARG 30 2HG ARG 30 -3.647 -6.591 0.450 268 HG3 ARG 30 3HG ARG 30 -4.693 -6.578 -0.967 269 HD2 ARG 30 2HD ARG 30 -4.124 -9.111 -1.141 270 HD3 ARG 30 3HD ARG 30 -3.567 -8.950 0.530 271 HE ARG 30 HE ARG 30 -6.302 -8.213 -0.343 272 HH11 ARG 30 1HH1 ARG 30 -4.248 -9.871 1.993 273 HH12 ARG 30 2HH1 ARG 30 -5.587 -10.322 2.999 274 HH21 ARG 30 1HH2 ARG 30 -8.014 -8.832 0.945 275 HH22 ARG 30 2HH2 ARG 30 -7.726 -9.732 2.405 276 H THR 31 H THR 31 0.515 -8.611 -2.293 277 HA THR 31 HA THR 31 2.178 -6.320 -2.956 278 HB THR 31 HB THR 31 3.617 -7.998 -4.141 279 HG1 THR 31 HG1 THR 31 1.661 -9.453 -4.511 280 HG21 THR 31 3HG2 THR 31 3.946 -7.531 -1.726 281 HG22 THR 31 1HG2 THR 31 4.364 -9.197 -2.137 282 HG23 THR 31 2HG2 THR 31 2.836 -8.845 -1.326 283 H VAL 32 H VAL 32 1.750 -5.062 -4.610 284 HA VAL 32 HA VAL 32 -0.272 -5.735 -6.581 285 HB VAL 32 HB VAL 32 1.301 -3.153 -6.188 286 HG11 VAL 32 1HG1 VAL 32 -1.242 -3.660 -7.776 287 HG12 VAL 32 2HG1 VAL 32 0.354 -3.308 -8.445 288 HG13 VAL 32 3HG1 VAL 32 -0.496 -2.083 -7.501 289 HG21 VAL 32 3HG2 VAL 32 -0.647 -2.319 -4.948 290 HG22 VAL 32 1HG2 VAL 32 0.009 -3.758 -4.167 291 HG23 VAL 32 2HG2 VAL 32 -1.464 -3.872 -5.137 292 H LYS 33 H LYS 33 0.237 -6.638 -8.430 293 HA LYS 33 HA LYS 33 3.026 -6.841 -9.335 294 HB2 LYS 33 2HB LYS 33 0.574 -8.435 -10.211 295 HB3 LYS 33 3HB LYS 33 2.262 -8.855 -10.499 296 HG2 LYS 33 2HG LYS 33 2.622 -9.284 -8.119 297 HG3 LYS 33 3HG LYS 33 1.021 -8.661 -7.729 298 HD2 LYS 33 2HD LYS 33 0.777 -11.011 -7.594 299 HD3 LYS 33 3HD LYS 33 0.079 -10.588 -9.154 300 HE2 LYS 33 2HE LYS 33 2.870 -11.709 -8.736 301 HE3 LYS 33 3HE LYS 33 1.464 -12.647 -9.227 302 HZ1 LYS 33 3HZ LYS 33 1.337 -11.191 -11.220 303 HZ2 LYS 33 1HZ LYS 33 2.728 -12.147 -11.145 304 HZ3 LYS 33 2HZ LYS 33 2.816 -10.506 -10.767 305 H THR 34 H THR 34 -0.214 -6.071 -10.542 306 HA THR 34 HA THR 34 0.870 -4.381 -12.712 307 HB THR 34 HB THR 34 -1.030 -4.997 -14.176 308 HG1 THR 34 HG1 THR 34 -2.530 -6.555 -13.564 309 HG21 THR 34 3HG2 THR 34 0.354 -7.521 -13.198 310 HG22 THR 34 1HG2 THR 34 0.991 -6.405 -14.411 311 HG23 THR 34 2HG2 THR 34 -0.475 -7.331 -14.745 312 H GLU 35 H GLU 35 -1.001 -2.818 -13.458 313 HA GLU 35 HA GLU 35 -2.037 -1.334 -11.284 314 HB2 GLU 35 2HB GLU 35 -3.180 0.067 -12.877 315 HB3 GLU 35 3HB GLU 35 -1.630 -0.365 -13.577 316 HG2 GLU 35 2HG GLU 35 -4.296 -1.599 -14.304 317 HG3 GLU 35 3HG GLU 35 -3.462 -0.362 -15.233 318 H ASP 36 H ASP 36 -3.424 -3.868 -13.300 319 HA ASP 36 HA ASP 36 -6.125 -3.725 -12.517 320 HB2 ASP 36 2HB ASP 36 -5.353 -4.932 -14.518 321 HB3 ASP 36 3HB ASP 36 -4.503 -6.107 -13.524 322 H GLU 37 H GLU 37 -3.320 -5.303 -11.046 323 HA GLU 37 HA GLU 37 -4.709 -6.796 -9.085 324 HB2 GLU 37 2HB GLU 37 -1.899 -5.625 -8.967 325 HB3 GLU 37 3HB GLU 37 -2.529 -6.871 -7.896 326 HG2 GLU 37 2HG GLU 37 -2.153 -7.165 -10.888 327 HG3 GLU 37 3HG GLU 37 -1.039 -7.753 -9.666 328 H LEU 38 H LEU 38 -3.291 -3.494 -9.068 329 HA LEU 38 HA LEU 38 -3.791 -2.778 -6.391 330 HB2 LEU 38 2HB LEU 38 -2.365 -1.571 -8.184 331 HB3 LEU 38 3HB LEU 38 -3.845 -0.864 -8.775 332 HG LEU 38 HG LEU 38 -2.407 0.645 -7.320 333 HD11 LEU 38 1HD1 LEU 38 -4.195 1.664 -6.030 334 HD12 LEU 38 2HD1 LEU 38 -5.196 0.224 -6.238 335 HD13 LEU 38 3HD1 LEU 38 -4.758 1.202 -7.637 336 HD21 LEU 38 3HD2 LEU 38 -1.644 -1.003 -5.695 337 HD22 LEU 38 1HD2 LEU 38 -3.282 -1.177 -5.063 338 HD23 LEU 38 2HD2 LEU 38 -2.420 0.356 -4.888 339 H LYS 39 H LYS 39 -5.709 -2.351 -9.321 340 HA LYS 39 HA LYS 39 -7.943 -1.016 -8.318 341 HB2 LYS 39 2HB LYS 39 -7.638 -2.870 -10.716 342 HB3 LYS 39 3HB LYS 39 -9.053 -1.861 -10.435 343 HG2 LYS 39 2HG LYS 39 -7.780 0.161 -10.720 344 HG3 LYS 39 3HG LYS 39 -6.257 -0.724 -10.679 345 HD2 LYS 39 2HD LYS 39 -6.659 -0.093 -12.962 346 HD3 LYS 39 3HD LYS 39 -6.906 -1.832 -12.851 347 HE2 LYS 39 2HE LYS 39 -9.218 0.118 -12.728 348 HE3 LYS 39 3HE LYS 39 -8.572 -0.468 -14.259 349 HZ1 LYS 39 3HZ LYS 39 -9.090 -2.726 -13.585 350 HZ2 LYS 39 1HZ LYS 39 -10.470 -1.755 -13.533 351 HZ3 LYS 39 2HZ LYS 39 -9.691 -2.182 -12.103 352 H LYS 40 H LYS 40 -7.475 -4.548 -8.880 353 HA LYS 40 HA LYS 40 -10.077 -5.300 -8.056 354 HB2 LYS 40 2HB LYS 40 -9.411 -7.570 -8.250 355 HB3 LYS 40 3HB LYS 40 -8.456 -6.721 -9.456 356 HG2 LYS 40 2HG LYS 40 -6.509 -6.762 -7.932 357 HG3 LYS 40 3HG LYS 40 -7.468 -7.628 -6.733 358 HD2 LYS 40 2HD LYS 40 -7.745 -9.496 -8.429 359 HD3 LYS 40 3HD LYS 40 -6.610 -8.639 -9.478 360 HE2 LYS 40 2HE LYS 40 -4.895 -8.783 -7.662 361 HE3 LYS 40 3HE LYS 40 -6.031 -9.731 -6.699 362 HZ1 LYS 40 3HZ LYS 40 -4.948 -10.500 -9.355 363 HZ2 LYS 40 1HZ LYS 40 -6.023 -11.418 -8.424 364 HZ3 LYS 40 2HZ LYS 40 -4.454 -11.130 -7.869 365 H TYR 41 H TYR 41 -7.058 -4.882 -6.233 366 HA TYR 41 HA TYR 41 -7.896 -6.013 -3.768 367 HB2 TYR 41 2HB TYR 41 -5.894 -3.749 -4.216 368 HB3 TYR 41 3HB TYR 41 -6.097 -4.629 -2.704 369 HD1 TYR 41 HD1 TYR 41 -6.422 -7.433 -4.095 370 HD2 TYR 41 HD2 TYR 41 -3.539 -4.292 -4.486 371 HE1 TYR 41 HE1 TYR 41 -4.745 -9.053 -4.850 372 HE2 TYR 41 HE2 TYR 41 -1.866 -5.926 -5.245 373 HH TYR 41 HH TYR 41 -1.417 -8.309 -5.168 374 H LEU 42 H LEU 42 -7.990 -2.676 -5.027 375 HA LEU 42 HA LEU 42 -9.240 -1.460 -2.842 376 HB2 LEU 42 2HB LEU 42 -9.378 -0.735 -5.785 377 HB3 LEU 42 3HB LEU 42 -9.988 0.285 -4.492 378 HG LEU 42 HG LEU 42 -7.076 -0.484 -4.922 379 HD11 LEU 42 1HD1 LEU 42 -7.898 1.120 -6.571 380 HD12 LEU 42 2HD1 LEU 42 -6.747 1.879 -5.474 381 HD13 LEU 42 3HD1 LEU 42 -8.478 2.181 -5.282 382 HD21 LEU 42 3HD2 LEU 42 -6.548 1.091 -3.097 383 HD22 LEU 42 1HD2 LEU 42 -7.517 -0.266 -2.523 384 HD23 LEU 42 2HD2 LEU 42 -8.271 1.310 -2.777 385 H GLU 43 H GLU 43 -10.709 -3.051 -5.700 386 HA GLU 43 HA GLU 43 -13.432 -2.575 -5.168 387 HB2 GLU 43 2HB GLU 43 -12.112 -4.958 -6.536 388 HB3 GLU 43 3HB GLU 43 -13.850 -4.657 -6.546 389 HG2 GLU 43 2HG GLU 43 -13.489 -2.529 -7.728 390 HG3 GLU 43 3HG GLU 43 -11.748 -2.810 -7.708 391 H GLU 44 H GLU 44 -11.294 -5.131 -4.085 392 HA GLU 44 HA GLU 44 -13.052 -6.720 -2.564 393 HB2 GLU 44 2HB GLU 44 -10.838 -7.459 -3.317 394 HB3 GLU 44 3HB GLU 44 -10.055 -6.190 -2.392 395 HG2 GLU 44 2HG GLU 44 -10.764 -7.303 -0.296 396 HG3 GLU 44 3HG GLU 44 -11.517 -8.584 -1.245 397 H PHE 45 H PHE 45 -11.188 -3.796 -1.767 398 HA PHE 45 HA PHE 45 -12.007 -3.718 0.998 399 HB2 PHE 45 2HB PHE 45 -10.703 -1.509 -0.646 400 HB3 PHE 45 3HB PHE 45 -10.752 -1.623 1.110 401 HD1 PHE 45 HD2 PHE 45 -10.085 -4.800 0.956 402 HD2 PHE 45 HD1 PHE 45 -8.260 -1.241 -0.587 403 HE1 PHE 45 HE2 PHE 45 -7.912 -5.942 0.860 404 HE2 PHE 45 HE1 PHE 45 -6.097 -2.403 -0.671 405 HZ PHE 45 HZ PHE 45 -5.918 -4.748 0.051 406 H ARG 46 H ARG 46 -13.449 -2.599 -1.955 407 HA ARG 46 HA ARG 46 -14.774 -0.256 -1.028 408 HB2 ARG 46 2HB ARG 46 -15.444 -2.097 -3.358 409 HB3 ARG 46 3HB ARG 46 -16.328 -0.612 -3.016 410 HG2 ARG 46 2HG ARG 46 -14.172 0.654 -3.263 411 HG3 ARG 46 3HG ARG 46 -13.412 -0.851 -3.783 412 HD2 ARG 46 2HD ARG 46 -14.021 0.474 -5.720 413 HD3 ARG 46 3HD ARG 46 -15.016 -0.983 -5.674 414 HE ARG 46 HE ARG 46 -16.665 0.660 -4.479 415 HH11 ARG 46 1HH1 ARG 46 -14.649 1.435 -7.270 416 HH12 ARG 46 2HH1 ARG 46 -15.769 2.611 -7.882 417 HH21 ARG 46 1HH2 ARG 46 -18.114 2.148 -5.305 418 HH22 ARG 46 2HH2 ARG 46 -17.743 3.015 -6.762 419 H LYS 47 H LYS 47 -15.768 -3.641 -1.181 420 HA LYS 47 HA LYS 47 -18.475 -3.391 -0.455 421 HB2 LYS 47 2HB LYS 47 -18.350 -5.797 0.120 422 HB3 LYS 47 3HB LYS 47 -17.534 -5.455 -1.402 423 HG2 LYS 47 2HG LYS 47 -15.345 -5.482 -0.209 424 HG3 LYS 47 3HG LYS 47 -16.185 -5.912 1.282 425 HD2 LYS 47 2HD LYS 47 -16.129 -7.582 -1.264 426 HD3 LYS 47 3HD LYS 47 -15.165 -7.883 0.181 427 HE2 LYS 47 2HE LYS 47 -17.261 -8.255 1.475 428 HE3 LYS 47 3HE LYS 47 -18.197 -8.013 -0.004 429 HZ1 LYS 47 3HZ LYS 47 -16.145 -10.128 0.376 430 HZ2 LYS 47 1HZ LYS 47 -17.131 -9.927 -0.979 431 HZ3 LYS 47 2HZ LYS 47 -17.813 -10.373 0.502 432 H GLU 48 H GLU 48 -15.604 -3.142 1.475 433 HA GLU 48 HA GLU 48 -17.206 -2.655 3.909 434 HB2 GLU 48 2HB GLU 48 -15.388 -3.755 5.250 435 HB3 GLU 48 3HB GLU 48 -16.244 -4.877 4.200 436 HG2 GLU 48 2HG GLU 48 -14.358 -4.748 2.564 437 HG3 GLU 48 3HG GLU 48 -13.489 -3.691 3.676 438 H SER 49 H SER 49 -16.466 -0.701 2.099 439 HA SER 49 HA SER 49 -13.990 0.592 2.733 440 HB2 SER 49 2HB SER 49 -14.942 2.523 1.426 441 HB3 SER 49 3HB SER 49 -14.963 0.987 0.563 442 HG SER 49 HG SER 49 -17.103 0.910 0.695 443 H GLN 50 H GLN 50 -16.638 0.291 4.685 444 HA GLN 50 HA GLN 50 -16.224 2.810 6.136 445 HB2 GLN 50 2HB GLN 50 -17.965 1.905 7.699 446 HB3 GLN 50 3HB GLN 50 -18.508 2.055 6.041 447 HG2 GLN 50 2HG GLN 50 -19.410 0.009 6.488 448 HG3 GLN 50 3HG GLN 50 -17.826 -0.537 5.958 449 HE21 GLN 50 1HE2 GLN 50 -16.419 -1.456 7.494 450 HE22 GLN 50 2HE2 GLN 50 -16.957 -1.906 9.075 451 H ASN 51 H ASN 51 -15.198 2.953 8.093 452 HA ASN 51 HA ASN 51 -13.725 2.581 9.772 453 HB2 ASN 51 2HB ASN 51 -14.977 -0.204 9.732 454 HB3 ASN 51 3HB ASN 51 -13.910 0.375 11.009 455 HD21 ASN 51 1HD2 ASN 51 -16.677 -0.494 11.243 456 HD22 ASN 51 2HD2 ASN 51 -17.561 0.850 11.872 457 H ILE 52 H ILE 52 -12.895 1.989 6.943 458 HA ILE 52 HA ILE 52 -10.637 0.145 7.426 459 HB ILE 52 HB ILE 52 -12.340 -0.480 5.585 460 HG12 ILE 52 2HG1 ILE 52 -9.458 -0.186 4.620 461 HG13 ILE 52 3HG1 ILE 52 -9.978 -1.406 5.776 462 HG21 ILE 52 1HG2 ILE 52 -12.126 0.602 3.382 463 HG22 ILE 52 2HG2 ILE 52 -10.984 1.770 4.048 464 HG23 ILE 52 3HG2 ILE 52 -12.660 1.768 4.597 465 HD11 ILE 52 3HD1 ILE 52 -10.955 -1.161 2.932 466 HD12 ILE 52 1HD1 ILE 52 -11.442 -2.391 4.101 467 HD13 ILE 52 2HD1 ILE 52 -9.772 -2.316 3.542 468 H LYS 53 H LYS 53 -8.594 0.819 6.817 469 HA LYS 53 HA LYS 53 -8.281 3.364 5.359 470 HB2 LYS 53 2HB LYS 53 -6.395 2.423 7.567 471 HB3 LYS 53 3HB LYS 53 -6.241 3.890 6.606 472 HG2 LYS 53 2HG LYS 53 -8.412 4.682 7.673 473 HG3 LYS 53 3HG LYS 53 -8.291 3.290 8.755 474 HD2 LYS 53 2HD LYS 53 -6.333 5.602 8.510 475 HD3 LYS 53 3HD LYS 53 -7.368 5.228 9.886 476 HE2 LYS 53 2HE LYS 53 -6.094 3.205 10.348 477 HE3 LYS 53 3HE LYS 53 -5.111 3.449 8.901 478 HZ1 LYS 53 3HZ LYS 53 -3.979 4.171 10.907 479 HZ2 LYS 53 1HZ LYS 53 -5.223 5.273 11.232 480 HZ3 LYS 53 2HZ LYS 53 -4.256 5.475 9.861 481 H VAL 54 H VAL 54 -6.962 3.116 3.633 482 HA VAL 54 HA VAL 54 -5.439 0.592 3.308 483 HB VAL 54 HB VAL 54 -6.537 2.455 1.147 484 HG11 VAL 54 1HG1 VAL 54 -4.474 1.359 0.388 485 HG12 VAL 54 2HG1 VAL 54 -5.869 0.696 -0.469 486 HG13 VAL 54 3HG1 VAL 54 -5.124 -0.219 0.843 487 HG21 VAL 54 3HG2 VAL 54 -8.346 1.232 2.284 488 HG22 VAL 54 1HG2 VAL 54 -7.515 -0.299 1.992 489 HG23 VAL 54 2HG2 VAL 54 -8.143 0.639 0.633 490 H LEU 55 H LEU 55 -3.293 0.750 3.121 491 HA LEU 55 HA LEU 55 -1.953 3.353 2.656 492 HB2 LEU 55 2HB LEU 55 -1.420 2.220 4.804 493 HB3 LEU 55 3HB LEU 55 -0.964 0.764 3.937 494 HG LEU 55 HG LEU 55 0.967 1.994 2.921 495 HD11 LEU 55 1HD1 LEU 55 1.669 4.163 3.814 496 HD12 LEU 55 2HD1 LEU 55 0.162 4.287 4.725 497 HD13 LEU 55 3HD1 LEU 55 0.132 4.269 2.959 498 HD21 LEU 55 3HD2 LEU 55 2.363 2.073 4.945 499 HD22 LEU 55 1HD2 LEU 55 1.319 0.651 4.928 500 HD23 LEU 55 2HD2 LEU 55 0.914 2.029 5.952 501 H ILE 56 H ILE 56 -0.684 3.513 0.803 502 HA ILE 56 HA ILE 56 0.053 1.056 -0.680 503 HB ILE 56 HB ILE 56 -0.784 3.708 -1.976 504 HG12 ILE 56 2HG1 ILE 56 -2.183 0.991 -2.016 505 HG13 ILE 56 3HG1 ILE 56 -2.742 2.414 -1.151 506 HG21 ILE 56 1HG2 ILE 56 -0.474 2.516 -4.138 507 HG22 ILE 56 2HG2 ILE 56 0.137 1.110 -3.269 508 HG23 ILE 56 3HG2 ILE 56 1.037 2.628 -3.231 509 HD11 ILE 56 3HD1 ILE 56 -4.022 2.061 -3.162 510 HD12 ILE 56 1HD1 ILE 56 -2.561 2.124 -4.149 511 HD13 ILE 56 2HD1 ILE 56 -3.105 3.562 -3.281 512 H LEU 57 H LEU 57 2.221 0.865 -0.706 513 HA LEU 57 HA LEU 57 3.970 3.258 -0.603 514 HB2 LEU 57 2HB LEU 57 4.704 0.323 -0.147 515 HB3 LEU 57 3HB LEU 57 5.820 1.672 -0.072 516 HG LEU 57 HG LEU 57 5.423 1.152 2.182 517 HD11 LEU 57 1HD1 LEU 57 4.219 3.035 3.161 518 HD12 LEU 57 2HD1 LEU 57 3.498 3.409 1.594 519 HD13 LEU 57 3HD1 LEU 57 5.244 3.546 1.820 520 HD21 LEU 57 3HD2 LEU 57 2.446 0.940 1.650 521 HD22 LEU 57 1HD2 LEU 57 3.248 0.714 3.207 522 HD23 LEU 57 2HD2 LEU 57 3.561 -0.408 1.885 523 H VAL 58 H VAL 58 4.575 3.915 -2.570 524 HA VAL 58 HA VAL 58 4.942 1.951 -4.767 525 HB VAL 58 HB VAL 58 4.640 3.860 -6.324 526 HG11 VAL 58 1HG1 VAL 58 2.356 3.616 -4.327 527 HG12 VAL 58 2HG1 VAL 58 2.660 2.548 -5.698 528 HG13 VAL 58 3HG1 VAL 58 2.221 4.232 -5.980 529 HG21 VAL 58 3HG2 VAL 58 4.057 5.537 -3.851 530 HG22 VAL 58 1HG2 VAL 58 3.883 6.060 -5.526 531 HG23 VAL 58 2HG2 VAL 58 5.477 5.685 -4.889 532 H SER 59 H SER 59 6.892 1.944 -5.872 533 HA SER 59 HA SER 59 9.141 3.428 -4.681 534 HB2 SER 59 2HB SER 59 9.096 1.081 -6.626 535 HB3 SER 59 3HB SER 59 10.551 1.794 -5.928 536 HG SER 59 HG SER 59 9.988 1.045 -3.947 537 H ASN 60 H ASN 60 6.962 4.052 -7.083 538 HA ASN 60 HA ASN 60 8.895 5.634 -8.688 539 HB2 ASN 60 2HB ASN 60 6.444 4.154 -9.736 540 HB3 ASN 60 3HB ASN 60 7.446 5.241 -10.688 541 HD21 ASN 60 1HD2 ASN 60 6.823 2.458 -11.161 542 HD22 ASN 60 2HD2 ASN 60 8.338 1.624 -11.203 543 H ASP 61 H ASP 61 8.271 7.712 -9.214 544 HA ASP 61 HA ASP 61 6.267 9.019 -7.685 545 HB2 ASP 61 2HB ASP 61 6.984 11.072 -8.745 546 HB3 ASP 61 3HB ASP 61 8.397 10.096 -8.367 547 H GLU 62 H GLU 62 6.254 7.879 -11.034 548 HA GLU 62 HA GLU 62 3.757 9.138 -11.746 549 HB2 GLU 62 2HB GLU 62 5.426 8.379 -13.455 550 HB3 GLU 62 3HB GLU 62 5.074 6.706 -13.027 551 HG2 GLU 62 2HG GLU 62 2.635 7.208 -13.661 552 HG3 GLU 62 3HG GLU 62 3.225 8.716 -14.354 553 H GLU 63 H GLU 63 4.738 6.080 -10.320 554 HA GLU 63 HA GLU 63 2.152 4.856 -10.289 555 HB2 GLU 63 2HB GLU 63 4.833 4.206 -9.091 556 HB3 GLU 63 3HB GLU 63 3.418 3.398 -8.424 557 HG2 GLU 63 2HG GLU 63 4.711 2.179 -10.281 558 HG3 GLU 63 3HG GLU 63 2.961 2.265 -10.435 559 H LEU 64 H LEU 64 3.870 6.988 -8.089 560 HA LEU 64 HA LEU 64 2.162 7.004 -5.896 561 HB2 LEU 64 2HB LEU 64 4.297 8.295 -6.105 562 HB3 LEU 64 3HB LEU 64 3.520 9.377 -7.247 563 HG LEU 64 HG LEU 64 1.971 10.138 -5.420 564 HD11 LEU 64 1HD1 LEU 64 1.989 8.188 -3.977 565 HD12 LEU 64 2HD1 LEU 64 2.510 9.608 -3.075 566 HD13 LEU 64 3HD1 LEU 64 3.701 8.422 -3.619 567 HD21 LEU 64 3HD2 LEU 64 3.628 11.501 -4.216 568 HD22 LEU 64 1HD2 LEU 64 3.969 11.440 -5.946 569 HD23 LEU 64 2HD2 LEU 64 4.928 10.471 -4.824 570 H ASP 65 H ASP 65 1.979 8.962 -8.888 571 HA ASP 65 HA ASP 65 -0.570 10.079 -8.433 572 HB2 ASP 65 2HB ASP 65 0.997 9.653 -11.007 573 HB3 ASP 65 3HB ASP 65 -0.509 10.570 -10.929 574 H LYS 66 H LYS 66 0.448 7.097 -10.020 575 HA LYS 66 HA LYS 66 -1.907 6.434 -11.406 576 HB2 LYS 66 2HB LYS 66 0.455 5.389 -11.616 577 HB3 LYS 66 3HB LYS 66 0.053 4.428 -10.200 578 HG2 LYS 66 2HG LYS 66 -0.355 3.036 -12.086 579 HG3 LYS 66 3HG LYS 66 -1.940 3.532 -11.493 580 HD2 LYS 66 2HD LYS 66 -2.117 3.751 -13.834 581 HD3 LYS 66 3HD LYS 66 -1.826 5.400 -13.289 582 HE2 LYS 66 2HE LYS 66 0.219 3.508 -14.505 583 HE3 LYS 66 3HE LYS 66 -0.517 4.894 -15.293 584 HZ1 LYS 66 3HZ LYS 66 1.419 4.927 -13.046 585 HZ2 LYS 66 1HZ LYS 66 0.589 6.297 -13.589 586 HZ3 LYS 66 2HZ LYS 66 1.650 5.490 -14.622 587 H ALA 67 H ALA 67 -0.694 5.332 -8.258 588 HA ALA 67 HA ALA 67 -2.914 3.731 -7.529 589 HB1 ALA 67 3HB ALA 67 -0.665 3.404 -6.620 590 HB2 ALA 67 1HB ALA 67 -1.828 3.661 -5.323 591 HB3 ALA 67 2HB ALA 67 -0.743 4.969 -5.808 592 H LYS 68 H LYS 68 -2.083 7.149 -6.988 593 HA LYS 68 HA LYS 68 -4.175 7.742 -5.162 594 HB2 LYS 68 2HB LYS 68 -2.563 9.500 -7.042 595 HB3 LYS 68 3HB LYS 68 -3.866 10.164 -6.060 596 HG2 LYS 68 2HG LYS 68 -2.696 9.319 -4.007 597 HG3 LYS 68 3HG LYS 68 -1.353 8.801 -5.028 598 HD2 LYS 68 2HD LYS 68 -2.346 11.664 -4.738 599 HD3 LYS 68 3HD LYS 68 -0.926 10.999 -3.935 600 HE2 LYS 68 2HE LYS 68 0.220 10.722 -6.048 601 HE3 LYS 68 3HE LYS 68 -1.236 11.143 -6.954 602 HZ1 LYS 68 3HZ LYS 68 0.242 12.967 -5.134 603 HZ2 LYS 68 1HZ LYS 68 -1.128 13.368 -6.041 604 HZ3 LYS 68 2HZ LYS 68 0.325 12.994 -6.826 605 H GLU 69 H GLU 69 -4.014 7.932 -8.754 606 HA GLU 69 HA GLU 69 -6.548 9.035 -9.268 607 HB2 GLU 69 2HB GLU 69 -4.895 7.091 -10.943 608 HB3 GLU 69 3HB GLU 69 -6.370 7.855 -11.532 609 HG2 GLU 69 2HG GLU 69 -5.356 10.057 -11.362 610 HG3 GLU 69 3HG GLU 69 -3.901 9.370 -10.644 611 H LEU 70 H LEU 70 -5.537 5.638 -9.069 612 HA LEU 70 HA LEU 70 -8.032 4.444 -9.614 613 HB2 LEU 70 2HB LEU 70 -5.609 3.324 -8.140 614 HB3 LEU 70 3HB LEU 70 -6.959 2.355 -8.716 615 HG LEU 70 HG LEU 70 -5.071 3.954 -10.495 616 HD11 LEU 70 1HD1 LEU 70 -4.184 1.795 -11.253 617 HD12 LEU 70 2HD1 LEU 70 -5.205 0.953 -10.085 618 HD13 LEU 70 3HD1 LEU 70 -3.924 2.029 -9.523 619 HD21 LEU 70 3HD2 LEU 70 -7.343 2.092 -11.263 620 HD22 LEU 70 1HD2 LEU 70 -6.182 2.809 -12.382 621 HD23 LEU 70 2HD2 LEU 70 -7.292 3.842 -11.489 622 H ALA 71 H ALA 71 -6.450 5.317 -6.539 623 HA ALA 71 HA ALA 71 -8.366 4.415 -4.715 624 HB1 ALA 71 3HB ALA 71 -6.594 6.875 -4.530 625 HB2 ALA 71 1HB ALA 71 -6.146 5.235 -4.060 626 HB3 ALA 71 2HB ALA 71 -7.412 6.091 -3.174 627 H GLN 72 H GLN 72 -8.208 7.465 -6.554 628 HA GLN 72 HA GLN 72 -10.416 8.810 -5.380 629 HB2 GLN 72 2HB GLN 72 -9.203 9.125 -8.166 630 HB3 GLN 72 3HB GLN 72 -10.368 10.240 -7.461 631 HG2 GLN 72 2HG GLN 72 -8.784 10.954 -5.783 632 HG3 GLN 72 3HG GLN 72 -7.655 9.679 -6.227 633 HE21 GLN 72 1HE2 GLN 72 -5.947 11.082 -6.715 634 HE22 GLN 72 2HE2 GLN 72 -5.976 12.168 -8.058 635 H LYS 73 H LYS 73 -10.118 6.678 -8.211 636 HA LYS 73 HA LYS 73 -12.723 6.836 -9.226 637 HB2 LYS 73 2HB LYS 73 -10.890 4.398 -9.313 638 HB3 LYS 73 3HB LYS 73 -12.254 4.698 -10.379 639 HG2 LYS 73 2HG LYS 73 -9.637 6.214 -10.285 640 HG3 LYS 73 3HG LYS 73 -10.188 5.132 -11.557 641 HD2 LYS 73 2HD LYS 73 -11.427 7.820 -10.846 642 HD3 LYS 73 3HD LYS 73 -10.376 7.496 -12.223 643 HE2 LYS 73 2HE LYS 73 -12.071 5.922 -13.130 644 HE3 LYS 73 3HE LYS 73 -13.135 6.309 -11.774 645 HZ1 LYS 73 3HZ LYS 73 -13.105 8.636 -12.515 646 HZ2 LYS 73 1HZ LYS 73 -13.745 7.604 -13.686 647 HZ3 LYS 73 2HZ LYS 73 -12.175 8.200 -13.853 648 H MET 74 H MET 74 -11.451 4.996 -6.542 649 HA MET 74 HA MET 74 -13.950 3.490 -6.138 650 HB2 MET 74 2HB MET 74 -11.394 3.394 -4.489 651 HB3 MET 74 3HB MET 74 -12.705 2.220 -4.495 652 HG2 MET 74 2HG MET 74 -10.801 2.769 -6.768 653 HG3 MET 74 3HG MET 74 -10.760 1.390 -5.679 654 HE1 MET 74 3HE MET 74 -11.795 -0.457 -8.851 655 HE2 MET 74 1HE MET 74 -10.746 -0.414 -7.432 656 HE3 MET 74 2HE MET 74 -10.595 0.826 -8.686 657 H GLU 75 H GLU 75 -12.480 6.387 -5.167 658 HA GLU 75 HA GLU 75 -12.684 7.933 -3.549 659 HB2 GLU 75 2HB GLU 75 -15.468 6.728 -3.325 660 HB3 GLU 75 3HB GLU 75 -14.988 8.236 -2.553 661 HG2 GLU 75 2HG GLU 75 -14.517 9.216 -4.790 662 HG3 GLU 75 3HG GLU 75 -15.040 7.712 -5.545 663 H ILE 76 H ILE 76 -11.660 5.218 -2.676 664 HA ILE 76 HA ILE 76 -12.444 4.914 0.112 665 HB ILE 76 HB ILE 76 -10.099 3.623 -1.387 666 HG12 ILE 76 2HG1 ILE 76 -12.850 2.416 -0.809 667 HG13 ILE 76 3HG1 ILE 76 -12.342 3.042 -2.370 668 HG21 ILE 76 1HG2 ILE 76 -11.346 2.834 1.279 669 HG22 ILE 76 2HG2 ILE 76 -9.754 3.560 1.055 670 HG23 ILE 76 3HG2 ILE 76 -10.076 1.940 0.441 671 HD11 ILE 76 3HD1 ILE 76 -10.635 1.324 -2.545 672 HD12 ILE 76 1HD1 ILE 76 -12.225 0.613 -2.283 673 HD13 ILE 76 2HD1 ILE 76 -11.074 0.695 -0.950 674 H ASP 77 H ASP 77 -11.156 5.486 1.926 675 HA ASP 77 HA ASP 77 -9.365 7.720 1.599 676 HB2 ASP 77 2HB ASP 77 -9.303 7.820 4.042 677 HB3 ASP 77 3HB ASP 77 -10.959 7.699 3.469 678 H VAL 78 H VAL 78 -7.436 7.348 0.863 679 HA VAL 78 HA VAL 78 -5.841 4.981 1.690 680 HB VAL 78 HB VAL 78 -5.918 6.264 -1.089 681 HG11 VAL 78 1HG1 VAL 78 -4.343 3.846 -0.130 682 HG12 VAL 78 2HG1 VAL 78 -3.672 5.416 -0.580 683 HG13 VAL 78 3HG1 VAL 78 -4.447 4.408 -1.802 684 HG21 VAL 78 3HG2 VAL 78 -6.934 4.151 -1.870 685 HG22 VAL 78 1HG2 VAL 78 -7.952 4.940 -0.661 686 HG23 VAL 78 2HG2 VAL 78 -6.968 3.545 -0.213 687 H ARG 79 H ARG 79 -3.741 5.354 2.245 688 HA ARG 79 HA ARG 79 -2.610 8.080 2.072 689 HB2 ARG 79 2HB ARG 79 -1.780 5.707 3.839 690 HB3 ARG 79 3HB ARG 79 -0.935 7.247 3.768 691 HG2 ARG 79 2HG ARG 79 -2.211 7.365 5.745 692 HG3 ARG 79 3HG ARG 79 -3.116 8.327 4.578 693 HD2 ARG 79 2HD ARG 79 -4.626 6.362 4.196 694 HD3 ARG 79 3HD ARG 79 -3.748 5.482 5.454 695 HE ARG 79 HE ARG 79 -4.449 7.609 6.834 696 HH11 ARG 79 1HH1 ARG 79 -6.421 5.766 4.576 697 HH12 ARG 79 2HH1 ARG 79 -7.902 6.141 5.382 698 HH21 ARG 79 1HH2 ARG 79 -6.390 8.099 7.874 699 HH22 ARG 79 2HH2 ARG 79 -7.891 7.473 7.266 700 H THR 80 H THR 80 -1.424 8.214 0.192 701 HA THR 80 HA THR 80 -0.086 5.757 -0.810 702 HB THR 80 HB THR 80 -0.859 8.195 -2.484 703 HG1 THR 80 HG1 THR 80 -2.216 5.706 -2.162 704 HG21 THR 80 3HG2 THR 80 0.965 6.792 -3.441 705 HG22 THR 80 1HG2 THR 80 -0.515 6.674 -4.396 706 HG23 THR 80 2HG2 THR 80 -0.069 5.369 -3.295 707 H ARG 81 H ARG 81 1.970 5.830 -0.193 708 HA ARG 81 HA ARG 81 3.451 8.392 -0.003 709 HB2 ARG 81 2HB ARG 81 3.880 5.778 1.532 710 HB3 ARG 81 3HB ARG 81 4.866 7.223 1.703 711 HG2 ARG 81 2HG ARG 81 1.927 7.022 2.425 712 HG3 ARG 81 3HG ARG 81 3.266 6.896 3.564 713 HD2 ARG 81 2HD ARG 81 2.524 9.118 3.799 714 HD3 ARG 81 3HD ARG 81 3.942 9.264 2.759 715 HE ARG 81 HE ARG 81 1.352 9.055 1.429 716 HH11 ARG 81 1HH1 ARG 81 3.848 11.291 2.553 717 HH12 ARG 81 2HH1 ARG 81 3.296 12.582 1.531 718 HH21 ARG 81 1HH2 ARG 81 0.655 10.751 0.143 719 HH22 ARG 81 2HH2 ARG 81 1.488 12.275 0.166 720 H LYS 82 H LYS 82 5.202 8.578 -1.333 721 HA LYS 82 HA LYS 82 6.145 6.264 -2.868 722 HB2 LYS 82 2HB LYS 82 5.746 8.428 -4.055 723 HB3 LYS 82 3HB LYS 82 6.977 9.196 -3.053 724 HG2 LYS 82 2HG LYS 82 8.630 7.468 -3.975 725 HG3 LYS 82 3HG LYS 82 7.369 7.001 -5.119 726 HD2 LYS 82 2HD LYS 82 8.918 8.564 -6.179 727 HD3 LYS 82 3HD LYS 82 7.332 9.318 -6.006 728 HE2 LYS 82 2HE LYS 82 8.142 10.545 -4.009 729 HE3 LYS 82 3HE LYS 82 9.726 9.786 -4.190 730 HZ1 LYS 82 3HZ LYS 82 9.557 12.055 -5.128 731 HZ2 LYS 82 1HZ LYS 82 8.470 11.476 -6.278 732 HZ3 LYS 82 2HZ LYS 82 10.054 10.894 -6.246 733 H VAL 83 H VAL 83 7.913 5.198 -2.287 734 HA VAL 83 HA VAL 83 9.524 6.134 -0.007 735 HB VAL 83 HB VAL 83 10.020 3.783 0.429 736 HG11 VAL 83 1HG1 VAL 83 7.050 4.248 -0.081 737 HG12 VAL 83 2HG1 VAL 83 7.949 4.668 1.380 738 HG13 VAL 83 3HG1 VAL 83 7.716 2.975 0.947 739 HG21 VAL 83 3HG2 VAL 83 8.403 3.086 -2.065 740 HG22 VAL 83 1HG2 VAL 83 9.034 1.923 -0.892 741 HG23 VAL 83 2HG2 VAL 83 10.145 2.885 -1.868 742 H THR 84 H THR 84 11.634 6.487 -0.214 743 HA THR 84 HA THR 84 12.958 6.227 -2.827 744 HB THR 84 HB THR 84 14.730 7.679 -1.658 745 HG1 THR 84 HG1 THR 84 14.409 8.286 0.369 746 HG21 THR 84 3HG2 THR 84 13.051 8.720 -3.143 747 HG22 THR 84 1HG2 THR 84 13.407 9.767 -1.770 748 HG23 THR 84 2HG2 THR 84 11.911 8.828 -1.800 749 H SER 85 H SER 85 13.314 5.375 0.547 750 HA SER 85 HA SER 85 15.323 3.278 -0.033 751 HB2 SER 85 2HB SER 85 14.638 4.663 2.611 752 HB3 SER 85 3HB SER 85 15.929 3.486 2.364 753 HG SER 85 HG SER 85 17.044 4.930 1.171 754 HA PRO 86 HA PRO 86 12.321 0.093 1.444 755 HB2 PRO 86 2HB PRO 86 14.027 -1.518 2.959 756 HB3 PRO 86 3HB PRO 86 13.914 -1.593 1.187 757 HG2 PRO 86 2HG PRO 86 15.920 -0.103 2.865 758 HG3 PRO 86 3HG PRO 86 16.195 -1.139 1.442 759 HD2 PRO 86 2HD PRO 86 16.182 1.519 1.171 760 HD3 PRO 86 3HD PRO 86 15.412 0.498 -0.066 761 H ASP 87 H ASP 87 14.579 1.692 3.569 762 HA ASP 87 HA ASP 87 13.519 1.386 6.107 763 HB2 ASP 87 2HB ASP 87 14.827 3.875 4.906 764 HB3 ASP 87 3HB ASP 87 14.649 3.557 6.630 765 H GLU 88 H GLU 88 12.575 3.651 3.544 766 HA GLU 88 HA GLU 88 10.762 5.225 5.067 767 HB2 GLU 88 2HB GLU 88 10.652 4.816 2.046 768 HB3 GLU 88 3HB GLU 88 10.027 6.184 2.958 769 HG2 GLU 88 2HG GLU 88 12.934 5.464 2.540 770 HG3 GLU 88 3HG GLU 88 12.070 6.793 1.785 771 H ALA 89 H ALA 89 10.349 2.405 2.926 772 HA ALA 89 HA ALA 89 7.530 2.291 2.849 773 HB1 ALA 89 3HB ALA 89 8.968 1.052 1.276 774 HB2 ALA 89 1HB ALA 89 7.831 -0.036 2.075 775 HB3 ALA 89 2HB ALA 89 9.522 0.006 2.585 776 H LYS 90 H LYS 90 9.883 0.696 4.947 777 HA LYS 90 HA LYS 90 8.161 -0.826 6.556 778 HB2 LYS 90 2HB LYS 90 10.906 0.353 7.140 779 HB3 LYS 90 3HB LYS 90 10.139 -0.935 8.066 780 HG2 LYS 90 2HG LYS 90 10.245 -2.447 6.155 781 HG3 LYS 90 3HG LYS 90 10.861 -1.148 5.129 782 HD2 LYS 90 2HD LYS 90 12.716 -2.586 5.802 783 HD3 LYS 90 3HD LYS 90 12.897 -1.001 6.550 784 HE2 LYS 90 2HE LYS 90 12.017 -1.902 8.672 785 HE3 LYS 90 3HE LYS 90 11.807 -3.482 7.915 786 HZ1 LYS 90 3HZ LYS 90 13.842 -3.394 9.196 787 HZ2 LYS 90 1HZ LYS 90 14.400 -2.077 8.287 788 HZ3 LYS 90 2HZ LYS 90 14.193 -3.587 7.552 789 H ARG 91 H ARG 91 9.511 2.440 6.907 790 HA ARG 91 HA ARG 91 8.637 2.998 9.510 791 HB2 ARG 91 2HB ARG 91 10.350 4.365 8.348 792 HB3 ARG 91 3HB ARG 91 9.120 4.977 7.244 793 HG2 ARG 91 2HG ARG 91 7.922 5.983 9.212 794 HG3 ARG 91 3HG ARG 91 9.250 5.449 10.245 795 HD2 ARG 91 2HD ARG 91 10.811 6.866 8.953 796 HD3 ARG 91 3HD ARG 91 9.470 7.395 7.928 797 HE ARG 91 HE ARG 91 9.326 7.842 10.827 798 HH11 ARG 91 1HH1 ARG 91 9.653 9.254 7.619 799 HH12 ARG 91 2HH1 ARG 91 9.342 10.870 8.176 800 HH21 ARG 91 1HH2 ARG 91 8.917 9.948 11.540 801 HH22 ARG 91 2HH2 ARG 91 8.924 11.258 10.402 802 H TRP 92 H TRP 92 7.124 3.960 6.347 803 HA TRP 92 HA TRP 92 4.887 5.196 7.421 804 HB2 TRP 92 2HB TRP 92 5.213 3.822 4.725 805 HB3 TRP 92 3HB TRP 92 3.856 4.867 5.143 806 HD1 TRP 92 HD1 TRP 92 6.870 5.118 3.212 807 HE1 TRP 92 HE1 TRP 92 7.770 7.522 3.078 808 HE3 TRP 92 HE3 TRP 92 4.202 7.216 7.040 809 HZ2 TRP 92 HZ2 TRP 92 7.408 9.969 4.400 810 HZ3 TRP 92 HZ3 TRP 92 4.535 9.605 7.534 811 HH2 TRP 92 HH2 TRP 92 6.107 10.957 6.240 812 H ILE 93 H ILE 93 5.442 1.762 6.941 813 HA ILE 93 HA ILE 93 2.748 0.873 7.324 814 HB ILE 93 HB ILE 93 5.436 -0.528 7.627 815 HG12 ILE 93 2HG1 ILE 93 3.258 -0.770 5.500 816 HG13 ILE 93 3HG1 ILE 93 4.761 0.125 5.322 817 HG21 ILE 93 1HG2 ILE 93 2.711 -1.857 7.839 818 HG22 ILE 93 2HG2 ILE 93 3.862 -1.657 9.158 819 HG23 ILE 93 3HG2 ILE 93 4.264 -2.694 7.789 820 HD11 ILE 93 3HD1 ILE 93 4.887 -1.968 4.172 821 HD12 ILE 93 1HD1 ILE 93 4.492 -2.855 5.646 822 HD13 ILE 93 2HD1 ILE 93 6.015 -1.966 5.529 823 H LYS 94 H LYS 94 5.568 1.273 9.510 824 HA LYS 94 HA LYS 94 4.336 0.600 11.941 825 HB2 LYS 94 2HB LYS 94 6.791 0.899 11.672 826 HB3 LYS 94 3HB LYS 94 6.558 2.625 11.428 827 HG2 LYS 94 2HG LYS 94 5.463 2.594 13.805 828 HG3 LYS 94 3HG LYS 94 6.230 1.015 13.970 829 HD2 LYS 94 2HD LYS 94 7.611 2.804 14.974 830 HD3 LYS 94 3HD LYS 94 8.452 2.042 13.620 831 HE2 LYS 94 2HE LYS 94 8.023 3.918 12.183 832 HE3 LYS 94 3HE LYS 94 6.850 4.606 13.308 833 HZ1 LYS 94 3HZ LYS 94 8.984 5.758 13.353 834 HZ2 LYS 94 1HZ LYS 94 9.760 4.338 13.840 835 HZ3 LYS 94 2HZ LYS 94 8.620 5.065 14.849 836 H GLU 95 H GLU 95 4.549 3.734 10.226 837 HA GLU 95 HA GLU 95 3.431 5.431 12.156 838 HB2 GLU 95 2HB GLU 95 3.296 5.668 9.111 839 HB3 GLU 95 3HB GLU 95 2.949 6.970 10.238 840 HG2 GLU 95 2HG GLU 95 5.642 5.637 9.877 841 HG3 GLU 95 3HG GLU 95 5.167 7.181 9.184 842 H PHE 96 H PHE 96 2.005 3.607 9.508 843 HA PHE 96 HA PHE 96 -0.661 4.468 9.561 844 HB2 PHE 96 2HB PHE 96 0.477 3.281 7.691 845 HB3 PHE 96 3HB PHE 96 0.541 1.814 8.650 846 HD1 PHE 96 HD1 PHE 96 -1.937 4.271 7.243 847 HD2 PHE 96 HD2 PHE 96 -1.140 0.216 8.336 848 HE1 PHE 96 HE1 PHE 96 -4.067 3.562 6.233 849 HE2 PHE 96 HE2 PHE 96 -3.264 -0.480 7.335 850 HZ PHE 96 HZ PHE 96 -4.722 1.188 6.285 851 H SER 97 H SER 97 1.009 1.913 11.327 852 HA SER 97 HA SER 97 -1.318 0.752 12.552 853 HB2 SER 97 2HB SER 97 1.623 0.502 13.307 854 HB3 SER 97 3HB SER 97 0.310 -0.531 13.889 855 HG SER 97 HG SER 97 1.179 -0.236 11.205 856 H GLU 98 H GLU 98 1.144 3.140 13.540 857 HA GLU 98 HA GLU 98 0.268 3.423 16.260 858 HB2 GLU 98 2HB GLU 98 2.012 5.256 14.557 859 HB3 GLU 98 3HB GLU 98 1.807 5.393 16.302 860 HG2 GLU 98 2HG GLU 98 2.806 3.128 16.574 861 HG3 GLU 98 3HG GLU 98 3.063 3.051 14.836 862 H GLU 99 H GLU 99 -0.664 4.923 13.243 863 HA GLU 99 HA GLU 99 -2.323 7.005 14.205 864 HB2 GLU 99 2HB GLU 99 -2.667 5.179 11.794 865 HB3 GLU 99 3HB GLU 99 -3.656 6.599 12.090 866 HG2 GLU 99 2HG GLU 99 -1.756 8.053 11.747 867 HG3 GLU 99 3HG GLU 99 -0.667 6.675 11.612 868 H GLY 100 H GLY 100 -2.854 3.544 13.596 869 HA2 GLY 100 2HA GLY 100 -4.352 2.028 14.450 870 HA3 GLY 100 3HA GLY 100 -5.025 3.282 15.484 871 H GLY 101 H GLY 101 -6.371 4.941 14.371 872 HA2 GLY 101 2HA GLY 101 -7.437 4.912 11.854 873 HA3 GLY 101 3HA GLY 101 -8.380 3.699 12.708 874 H SER 102 H SER 102 -7.551 7.069 12.489 875 HA SER 102 HA SER 102 -8.658 8.977 12.863 876 HB2 SER 102 2HB SER 102 -10.774 7.900 12.274 877 HB3 SER 102 3HB SER 102 -10.950 7.273 13.909 878 HG SER 102 HG SER 102 -11.736 9.619 12.938 879 H LEU 103 H LEU 103 -8.319 6.734 15.527 880 HA LEU 103 HA LEU 103 -7.908 6.845 17.721 881 HB2 LEU 103 2HB LEU 103 -7.620 9.845 17.355 882 HB3 LEU 103 3HB LEU 103 -7.319 9.005 18.866 883 HG LEU 103 HG LEU 103 -5.731 8.694 16.287 884 HD11 LEU 103 1HD1 LEU 103 -5.267 10.798 17.451 885 HD12 LEU 103 2HD1 LEU 103 -3.880 9.716 17.532 886 HD13 LEU 103 3HD1 LEU 103 -4.919 9.922 18.945 887 HD21 LEU 103 3HD2 LEU 103 -5.301 7.277 18.941 888 HD22 LEU 103 1HD2 LEU 103 -4.208 7.239 17.555 889 HD23 LEU 103 2HD2 LEU 103 -5.815 6.534 17.422 890 H GLU 104 H GLU 104 -9.877 9.620 16.854 891 HA GLU 104 HA GLU 104 -11.857 9.091 18.967 892 HB2 GLU 104 2HB GLU 104 -11.598 11.399 16.972 893 HB3 GLU 104 3HB GLU 104 -12.709 11.331 18.338 894 HG2 GLU 104 2HG GLU 104 -10.852 11.393 19.915 895 HG3 GLU 104 3HG GLU 104 -9.690 11.327 18.589 896 H HIS 105 H HIS 105 -11.873 7.070 17.176 897 HA HIS 105 HA HIS 105 -13.452 7.424 14.825 898 HB2 HIS 105 2HB HIS 105 -13.365 4.953 14.623 899 HB3 HIS 105 3HB HIS 105 -11.779 5.650 14.934 900 HD1 HIS 105 HD1 HIS 105 -14.296 3.315 16.337 901 HD2 HIS 105 HD2 HIS 105 -10.721 5.065 17.534 902 HE1 HIS 105 HE1 HIS 105 -13.591 2.070 18.395 903 HE2 HIS 105 HE2 HIS 105 -11.368 3.060 19.025 904 H HIS 106 H HIS 106 -14.623 7.645 17.890 905 HA HIS 106 HA HIS 106 -17.225 6.629 17.636 906 HB2 HIS 106 2HB HIS 106 -16.167 9.190 18.910 907 HB3 HIS 106 3HB HIS 106 -17.896 8.855 18.877 908 HD1 HIS 106 HD1 HIS 106 -18.344 8.384 21.291 909 HD2 HIS 106 HD2 HIS 106 -15.080 6.233 19.879 910 HE1 HIS 106 HE1 HIS 106 -17.720 6.808 23.145 911 HE2 HIS 106 HE2 HIS 106 -15.730 5.539 22.276 912 H HIS 107 H HIS 107 -15.720 9.535 16.152 913 HA HIS 107 HA HIS 107 -18.085 10.085 14.550 914 HB2 HIS 107 2HB HIS 107 -16.890 11.968 13.598 915 HB3 HIS 107 3HB HIS 107 -16.670 11.984 15.336 916 HD1 HIS 107 HD1 HIS 107 -14.272 12.015 16.193 917 HD2 HIS 107 HD2 HIS 107 -14.474 11.379 12.096 918 HE1 HIS 107 HE1 HIS 107 -11.936 12.320 15.338 919 HE2 HIS 107 HE2 HIS 107 -12.137 12.145 12.856 920 H HIS 108 H HIS 108 -18.564 8.924 12.851 921 HA HIS 108 HA HIS 108 -16.969 8.455 10.597 922 HB2 HIS 108 2HB HIS 108 -16.714 5.999 10.602 923 HB3 HIS 108 3HB HIS 108 -15.877 6.666 11.995 924 HD1 HIS 108 HD1 HIS 108 -17.655 3.805 11.273 925 HD2 HIS 108 HD2 HIS 108 -18.064 6.605 14.316 926 HE1 HIS 108 HE1 HIS 108 -18.894 2.634 13.112 927 HE2 HIS 108 HE2 HIS 108 -19.019 4.304 14.974 928 H HIS 109 H HIS 109 -18.317 7.773 8.864 929 HA HIS 109 HA HIS 109 -21.143 7.199 9.550 930 HB2 HIS 109 2HB HIS 109 -20.863 9.619 8.933 931 HB3 HIS 109 3HB HIS 109 -20.262 9.130 7.351 932 HD1 HIS 109 HD1 HIS 109 -22.004 8.221 5.647 933 HD2 HIS 109 HD2 HIS 109 -23.670 9.310 9.291 934 HE1 HIS 109 HE1 HIS 109 -24.483 8.198 5.287 935 HE2 HIS 109 HE2 HIS 109 -25.453 9.018 7.455 936 H HIS 110 H HIS 110 -22.151 5.747 8.318 937 HA HIS 110 HA HIS 110 -21.045 4.803 5.774 938 HB2 HIS 110 2HB HIS 110 -20.109 3.210 7.350 939 HB3 HIS 110 3HB HIS 110 -21.635 3.065 8.213 940 HD1 HIS 110 HD1 HIS 110 -22.588 0.844 7.803 941 HD2 HIS 110 HD2 HIS 110 -20.763 2.319 4.376 942 HE1 HIS 110 HE1 HIS 110 -22.938 -0.907 6.053 943 HE2 HIS 110 HE2 HIS 110 -21.686 -0.068 4.042
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