NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18416 | 2dmc | 10326 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 6.359 -14.293 -9.812 2 HA2 GLY 1 1HA GLY 1 7.291 -15.900 -11.536 3 HA3 GLY 1 2HA GLY 1 7.963 -14.279 -11.618 4 H SER 2 H SER 2 9.612 -15.830 -12.721 5 HA SER 2 HA SER 2 11.542 -16.721 -10.678 6 HB2 SER 2 1HB SER 2 12.352 -18.372 -12.211 7 HB3 SER 2 2HB SER 2 10.593 -18.500 -12.207 8 HG SER 2 HG SER 2 10.872 -16.903 -14.083 9 H SER 3 H SER 3 13.244 -15.444 -10.477 10 HA SER 3 HA SER 3 14.163 -13.935 -12.837 11 HB2 SER 3 1HB SER 3 14.930 -12.182 -11.325 12 HB3 SER 3 2HB SER 3 13.217 -12.496 -11.052 13 HG SER 3 HG SER 3 15.081 -13.908 -9.522 14 H GLY 4 H GLY 4 16.452 -13.553 -13.009 15 HA2 GLY 4 1HA GLY 4 18.295 -14.907 -11.283 16 HA3 GLY 4 2HA GLY 4 18.051 -15.768 -12.795 17 H SER 5 H SER 5 19.017 -15.044 -14.633 18 HA SER 5 HA SER 5 21.163 -13.174 -14.323 19 HB2 SER 5 1HB SER 5 21.220 -15.240 -15.784 20 HB3 SER 5 2HB SER 5 20.166 -14.383 -16.909 21 HG SER 5 HG SER 5 22.642 -13.333 -16.022 22 H SER 6 H SER 6 19.899 -11.293 -13.736 23 HA SER 6 HA SER 6 18.615 -9.423 -14.141 24 HB2 SER 6 1HB SER 6 19.602 -8.009 -15.837 25 HB3 SER 6 2HB SER 6 20.890 -8.927 -15.059 26 HG SER 6 HG SER 6 19.833 -10.223 -17.210 27 H GLY 7 H GLY 7 16.963 -11.400 -14.702 28 HA2 GLY 7 1HA GLY 7 15.776 -10.669 -17.308 29 HA3 GLY 7 2HA GLY 7 15.708 -12.299 -16.654 30 H ILE 8 H ILE 8 13.880 -9.686 -17.189 31 HA ILE 8 HA ILE 8 12.481 -9.422 -14.713 32 HB ILE 8 HB ILE 8 10.809 -8.167 -16.009 33 HG12 ILE 8 1HG1 ILE 8 11.670 -7.751 -18.494 34 HG13 ILE 8 2HG1 ILE 8 12.312 -9.376 -18.284 35 HG21 ILE 8 1HG2 ILE 8 12.767 -6.655 -17.164 36 HG22 ILE 8 2HG2 ILE 8 12.301 -6.588 -15.465 37 HG23 ILE 8 3HG2 ILE 8 13.672 -7.577 -15.965 38 HD11 ILE 8 1HD1 ILE 8 10.327 -10.131 -18.898 39 HD12 ILE 8 2HD1 ILE 8 9.693 -9.522 -17.368 40 HD13 ILE 8 3HD1 ILE 8 9.620 -8.518 -18.816 41 HA PRO 9 HA PRO 9 9.838 -12.940 -14.940 42 HB2 PRO 9 1HB PRO 9 7.846 -12.069 -13.314 43 HB3 PRO 9 2HB PRO 9 9.425 -12.581 -12.708 44 HG2 PRO 9 1HG PRO 9 8.394 -9.816 -13.208 45 HG3 PRO 9 2HG PRO 9 9.336 -10.428 -11.836 46 HD2 PRO 9 1HD PRO 9 10.459 -9.034 -13.867 47 HD3 PRO 9 2HD PRO 9 11.329 -10.307 -12.987 48 H GLY 10 H GLY 10 8.497 -13.534 -16.521 49 HA2 GLY 10 1HA GLY 10 6.660 -11.508 -17.627 50 HA3 GLY 10 2HA GLY 10 7.314 -12.868 -18.528 51 H SER 11 H SER 11 5.888 -14.409 -18.919 52 HA SER 11 HA SER 11 4.311 -15.640 -16.937 53 HB2 SER 11 1HB SER 11 3.034 -13.447 -18.504 54 HB3 SER 11 2HB SER 11 2.080 -14.897 -18.189 55 HG SER 11 HG SER 11 2.961 -14.482 -15.903 56 HA PRO 12 HA PRO 12 4.378 -18.719 -20.080 57 HB2 PRO 12 1HB PRO 12 2.464 -20.376 -19.102 58 HB3 PRO 12 2HB PRO 12 4.073 -20.241 -18.385 59 HG2 PRO 12 1HG PRO 12 1.504 -18.966 -17.527 60 HG3 PRO 12 2HG PRO 12 2.762 -19.727 -16.535 61 HD2 PRO 12 1HD PRO 12 2.554 -17.042 -16.816 62 HD3 PRO 12 2HD PRO 12 4.113 -17.861 -16.593 63 H PHE 13 H PHE 13 2.529 -20.159 -21.224 64 HA PHE 13 HA PHE 13 1.019 -18.281 -22.775 65 HB2 PHE 13 1HB PHE 13 1.261 -21.287 -22.832 66 HB3 PHE 13 2HB PHE 13 0.185 -20.408 -23.912 67 HD1 PHE 13 1HD PHE 13 3.712 -20.906 -22.959 68 HD2 PHE 13 2HD PHE 13 1.009 -19.286 -25.819 69 HE1 PHE 13 1HE PHE 13 5.583 -20.538 -24.514 70 HE2 PHE 13 2HE PHE 13 2.875 -18.917 -27.379 71 HZ PHE 13 HZ PHE 13 5.165 -19.543 -26.728 72 H THR 14 H THR 14 0.099 -21.080 -20.766 73 HA THR 14 HA THR 14 -2.682 -20.498 -20.864 74 HB THR 14 HB THR 14 -1.187 -22.211 -18.870 75 HG1 THR 14 1HG THR 14 -2.641 -23.214 -21.064 76 HG21 THR 14 1HG2 THR 14 -3.511 -23.369 -18.877 77 HG22 THR 14 2HG2 THR 14 -4.092 -21.824 -19.495 78 HG23 THR 14 3HG2 THR 14 -3.289 -21.900 -17.927 79 H ALA 15 H ALA 15 -4.039 -19.715 -19.212 80 HA ALA 15 HA ALA 15 -2.814 -17.650 -17.590 81 HB1 ALA 15 1HB ALA 15 -5.004 -17.483 -18.961 82 HB2 ALA 15 2HB ALA 15 -5.738 -18.276 -17.566 83 HB3 ALA 15 3HB ALA 15 -4.923 -16.725 -17.370 84 H LYS 16 H LYS 16 -2.266 -17.887 -15.530 85 HA LYS 16 HA LYS 16 -3.645 -19.932 -13.923 86 HB2 LYS 16 1HB LYS 16 -0.688 -19.391 -14.126 87 HB3 LYS 16 2HB LYS 16 -1.391 -20.228 -12.748 88 HG2 LYS 16 1HG LYS 16 -2.143 -22.021 -14.120 89 HG3 LYS 16 2HG LYS 16 -1.731 -21.141 -15.593 90 HD2 LYS 16 1HD LYS 16 0.583 -21.367 -15.204 91 HD3 LYS 16 2HD LYS 16 0.332 -21.861 -13.527 92 HE2 LYS 16 1HE LYS 16 -1.021 -23.815 -14.704 93 HE3 LYS 16 2HE LYS 16 0.062 -23.427 -16.039 94 HZ1 LYS 16 1HZ LYS 16 1.533 -23.564 -13.638 95 HZ2 LYS 16 2HZ LYS 16 1.687 -24.514 -15.030 96 HZ3 LYS 16 3HZ LYS 16 0.616 -24.977 -13.804 97 H ILE 17 H ILE 17 -3.721 -16.889 -14.250 98 HA ILE 17 HA ILE 17 -2.703 -15.441 -12.212 99 HB ILE 17 HB ILE 17 -4.724 -14.060 -12.215 100 HG12 ILE 17 1HG1 ILE 17 -5.946 -16.139 -14.036 101 HG13 ILE 17 2HG1 ILE 17 -6.305 -16.030 -12.317 102 HG21 ILE 17 1HG2 ILE 17 -3.054 -13.925 -14.055 103 HG22 ILE 17 2HG2 ILE 17 -4.077 -15.004 -15.003 104 HG23 ILE 17 3HG2 ILE 17 -4.675 -13.416 -14.526 105 HD11 ILE 17 1HD1 ILE 17 -7.282 -13.871 -12.593 106 HD12 ILE 17 2HD1 ILE 17 -6.752 -13.792 -14.274 107 HD13 ILE 17 3HD1 ILE 17 -7.985 -14.956 -13.792 108 H THR 18 H THR 18 -3.110 -15.053 -10.059 109 HA THR 18 HA THR 18 -4.927 -16.950 -8.719 110 HB THR 18 HB THR 18 -2.522 -15.887 -7.296 111 HG1 THR 18 1HG THR 18 -1.230 -16.944 -8.582 112 HG21 THR 18 1HG2 THR 18 -4.444 -18.126 -7.037 113 HG22 THR 18 2HG2 THR 18 -3.686 -17.133 -5.791 114 HG23 THR 18 3HG2 THR 18 -2.782 -18.445 -6.545 115 H ASP 19 H ASP 19 -5.821 -14.462 -9.531 116 HA ASP 19 HA ASP 19 -6.752 -13.382 -7.072 117 HB2 ASP 19 1HB ASP 19 -5.751 -11.222 -7.094 118 HB3 ASP 19 2HB ASP 19 -4.432 -12.378 -7.259 119 H ASP 20 H ASP 20 -8.805 -13.034 -7.562 120 HA ASP 20 HA ASP 20 -9.693 -12.573 -10.238 121 HB2 ASP 20 1HB ASP 20 -11.022 -12.786 -7.564 122 HB3 ASP 20 2HB ASP 20 -11.927 -12.130 -8.926 123 H SER 21 H SER 21 -11.183 -10.745 -10.779 124 HA SER 21 HA SER 21 -9.884 -8.249 -10.069 125 HB2 SER 21 1HB SER 21 -10.738 -9.083 -12.438 126 HB3 SER 21 2HB SER 21 -12.246 -8.348 -11.896 127 HG SER 21 HG SER 21 -11.051 -6.791 -12.956 128 H ARG 22 H ARG 22 -11.391 -9.513 -7.995 129 HA ARG 22 HA ARG 22 -13.956 -8.718 -7.549 130 HB2 ARG 22 1HB ARG 22 -11.647 -8.759 -5.602 131 HB3 ARG 22 2HB ARG 22 -13.324 -8.549 -5.117 132 HG2 ARG 22 1HG ARG 22 -12.586 -10.903 -6.786 133 HG3 ARG 22 2HG ARG 22 -12.196 -10.905 -5.065 134 HD2 ARG 22 1HD ARG 22 -14.534 -10.498 -4.520 135 HD3 ARG 22 2HD ARG 22 -14.936 -10.435 -6.235 136 HE ARG 22 HE ARG 22 -15.001 -12.711 -6.240 137 HH11 ARG 22 1HH1 ARG 22 -13.105 -11.665 -3.513 138 HH12 ARG 22 2HH1 ARG 22 -12.901 -13.262 -2.876 139 HH21 ARG 22 1HH2 ARG 22 -14.739 -14.820 -5.410 140 HH22 ARG 22 2HH2 ARG 22 -13.830 -15.056 -3.956 141 H ARG 23 H ARG 23 -14.698 -6.955 -5.986 142 HA ARG 23 HA ARG 23 -13.876 -4.413 -7.101 143 HB2 ARG 23 1HB ARG 23 -15.781 -3.492 -5.894 144 HB3 ARG 23 2HB ARG 23 -16.261 -4.924 -6.795 145 HG2 ARG 23 1HG ARG 23 -16.204 -6.251 -4.766 146 HG3 ARG 23 2HG ARG 23 -15.650 -4.849 -3.847 147 HD2 ARG 23 1HD ARG 23 -17.895 -4.769 -3.404 148 HD3 ARG 23 2HD ARG 23 -17.821 -3.751 -4.841 149 HE ARG 23 HE ARG 23 -18.259 -6.394 -5.649 150 HH11 ARG 23 1HH1 ARG 23 -19.887 -3.835 -3.939 151 HH12 ARG 23 2HH1 ARG 23 -21.473 -4.361 -4.397 152 HH21 ARG 23 1HH2 ARG 23 -20.342 -7.097 -6.259 153 HH22 ARG 23 2HH2 ARG 23 -21.731 -6.217 -5.715 154 H CYS 24 H CYS 24 -11.825 -5.548 -5.625 155 HA CYS 24 HA CYS 24 -11.562 -3.576 -3.479 156 HB2 CYS 24 1HB CYS 24 -11.069 -6.541 -3.191 157 HB3 CYS 24 2HB CYS 24 -10.446 -5.346 -2.061 158 HG CYS 24 HG CYS 24 -12.515 -5.425 -0.559 159 H SER 25 H SER 25 -9.294 -3.296 -2.780 160 HA SER 25 HA SER 25 -7.553 -3.344 -5.103 161 HB2 SER 25 1HB SER 25 -7.010 -2.191 -2.358 162 HB3 SER 25 2HB SER 25 -6.117 -1.858 -3.841 163 HG SER 25 HG SER 25 -8.837 -1.213 -3.339 164 H GLN 26 H GLN 26 -5.406 -4.173 -5.065 165 HA GLN 26 HA GLN 26 -4.969 -6.285 -3.059 166 HB2 GLN 26 1HB GLN 26 -5.623 -7.232 -5.240 167 HB3 GLN 26 2HB GLN 26 -4.272 -6.398 -5.999 168 HG2 GLN 26 1HG GLN 26 -2.717 -7.820 -5.123 169 HG3 GLN 26 2HG GLN 26 -3.710 -8.223 -3.723 170 HE21 GLN 26 1HE2 GLN 26 -2.339 -10.074 -5.368 171 HE22 GLN 26 2HE2 GLN 26 -3.521 -11.086 -6.120 172 H VAL 27 H VAL 27 -3.079 -6.227 -2.023 173 HA VAL 27 HA VAL 27 -0.874 -4.671 -3.201 174 HB VAL 27 HB VAL 27 -1.639 -4.636 -0.279 175 HG11 VAL 27 1HG1 VAL 27 0.591 -3.403 -1.854 176 HG12 VAL 27 2HG1 VAL 27 0.030 -2.674 -0.348 177 HG13 VAL 27 3HG1 VAL 27 0.666 -4.319 -0.349 178 HG21 VAL 27 1HG2 VAL 27 -3.072 -3.377 -2.099 179 HG22 VAL 27 2HG2 VAL 27 -2.674 -2.612 -0.561 180 HG23 VAL 27 3HG2 VAL 27 -1.748 -2.217 -2.009 181 H LYS 28 H LYS 28 1.252 -5.222 -2.350 182 HA LYS 28 HA LYS 28 1.460 -8.088 -1.882 183 HB2 LYS 28 1HB LYS 28 3.649 -6.056 -2.357 184 HB3 LYS 28 2HB LYS 28 3.830 -7.805 -2.372 185 HG2 LYS 28 1HG LYS 28 2.041 -6.319 -4.276 186 HG3 LYS 28 2HG LYS 28 3.729 -6.703 -4.621 187 HD2 LYS 28 1HD LYS 28 3.106 -9.124 -4.114 188 HD3 LYS 28 2HD LYS 28 1.425 -8.591 -4.208 189 HE2 LYS 28 1HE LYS 28 3.402 -8.066 -6.409 190 HE3 LYS 28 2HE LYS 28 2.466 -9.558 -6.326 191 HZ1 LYS 28 1HZ LYS 28 0.485 -8.426 -6.658 192 HZ2 LYS 28 2HZ LYS 28 1.549 -7.627 -7.703 193 HZ3 LYS 28 3HZ LYS 28 1.134 -6.926 -6.221 194 H LEU 29 H LEU 29 1.238 -8.664 0.192 195 HA LEU 29 HA LEU 29 1.905 -7.024 2.399 196 HB2 LEU 29 1HB LEU 29 0.322 -9.104 2.176 197 HB3 LEU 29 2HB LEU 29 1.772 -9.993 2.636 198 HG LEU 29 HG LEU 29 1.881 -8.545 4.691 199 HD11 LEU 29 1HD1 LEU 29 -0.767 -7.650 3.598 200 HD12 LEU 29 2HD1 LEU 29 0.589 -6.667 4.147 201 HD13 LEU 29 3HD1 LEU 29 -0.382 -7.559 5.317 202 HD21 LEU 29 1HD2 LEU 29 -0.262 -9.702 5.667 203 HD22 LEU 29 2HD2 LEU 29 1.135 -10.658 5.172 204 HD23 LEU 29 3HD2 LEU 29 -0.266 -10.526 4.108 205 H GLY 30 H GLY 30 3.731 -6.822 3.568 206 HA2 GLY 30 1HA GLY 30 5.836 -7.368 4.409 207 HA3 GLY 30 2HA GLY 30 5.846 -8.797 3.387 208 H SER 31 H SER 31 5.031 -5.894 1.790 209 HA SER 31 HA SER 31 7.775 -5.279 1.045 210 HB2 SER 31 1HB SER 31 5.784 -6.556 -0.783 211 HB3 SER 31 2HB SER 31 6.880 -5.344 -1.448 212 HG SER 31 HG SER 31 7.698 -7.512 -1.557 213 H ALA 32 H ALA 32 8.024 -3.154 0.829 214 HA ALA 32 HA ALA 32 6.044 -1.297 1.348 215 HB1 ALA 32 1HB ALA 32 8.352 -0.559 -0.401 216 HB2 ALA 32 2HB ALA 32 7.614 0.343 0.924 217 HB3 ALA 32 3HB ALA 32 8.631 -1.057 1.268 218 H ALA 33 H ALA 33 4.242 -0.951 0.231 219 HA ALA 33 HA ALA 33 4.396 -0.933 -2.713 220 HB1 ALA 33 1HB ALA 33 2.924 -2.663 -1.377 221 HB2 ALA 33 2HB ALA 33 1.791 -1.311 -1.327 222 HB3 ALA 33 3HB ALA 33 2.349 -1.938 -2.879 223 H ASP 34 H ASP 34 3.716 0.835 -3.791 224 HA ASP 34 HA ASP 34 3.153 3.217 -2.257 225 HB2 ASP 34 1HB ASP 34 3.434 4.417 -4.300 226 HB3 ASP 34 2HB ASP 34 4.659 3.151 -4.286 227 H PHE 35 H PHE 35 1.315 4.551 -2.513 228 HA PHE 35 HA PHE 35 -1.036 3.244 -3.702 229 HB2 PHE 35 1HB PHE 35 -0.892 4.581 -0.994 230 HB3 PHE 35 2HB PHE 35 -2.388 4.085 -1.779 231 HD1 PHE 35 2HD PHE 35 -2.861 1.689 -2.131 232 HD2 PHE 35 1HD PHE 35 0.510 3.015 0.102 233 HE1 PHE 35 2HE PHE 35 -2.630 -0.557 -1.152 234 HE2 PHE 35 1HE PHE 35 0.748 0.771 1.084 235 HZ PHE 35 HZ PHE 35 -0.825 -1.018 0.458 236 H LEU 36 H LEU 36 -2.027 4.506 -5.123 237 HA LEU 36 HA LEU 36 -1.377 7.346 -5.205 238 HB2 LEU 36 1HB LEU 36 -1.427 5.635 -7.193 239 HB3 LEU 36 2HB LEU 36 -3.151 6.005 -7.192 240 HG LEU 36 HG LEU 36 -2.333 8.480 -7.327 241 HD11 LEU 36 1HD1 LEU 36 -0.146 8.789 -7.489 242 HD12 LEU 36 2HD1 LEU 36 -0.149 7.882 -9.001 243 HD13 LEU 36 3HD1 LEU 36 0.133 7.047 -7.473 244 HD21 LEU 36 1HD2 LEU 36 -3.629 7.440 -9.058 245 HD22 LEU 36 2HD2 LEU 36 -2.228 6.533 -9.626 246 HD23 LEU 36 3HD2 LEU 36 -2.274 8.287 -9.803 247 H LEU 37 H LEU 37 -2.607 8.596 -3.951 248 HA LEU 37 HA LEU 37 -5.520 8.151 -3.988 249 HB2 LEU 37 1HB LEU 37 -5.698 8.759 -1.753 250 HB3 LEU 37 2HB LEU 37 -4.265 7.735 -1.803 251 HG LEU 37 HG LEU 37 -4.232 10.751 -1.721 252 HD11 LEU 37 1HD1 LEU 37 -5.088 9.883 0.360 253 HD12 LEU 37 2HD1 LEU 37 -3.431 10.440 0.592 254 HD13 LEU 37 3HD1 LEU 37 -3.770 8.715 0.454 255 HD21 LEU 37 1HD2 LEU 37 -2.148 8.649 -1.955 256 HD22 LEU 37 2HD2 LEU 37 -1.797 10.054 -0.948 257 HD23 LEU 37 3HD2 LEU 37 -2.208 10.269 -2.650 258 H ASP 38 H ASP 38 -6.836 9.885 -4.345 259 HA ASP 38 HA ASP 38 -5.586 12.240 -5.467 260 HB2 ASP 38 1HB ASP 38 -7.464 11.348 -6.667 261 HB3 ASP 38 2HB ASP 38 -8.471 11.378 -5.221 262 H ILE 39 H ILE 39 -4.741 13.504 -3.883 263 HA ILE 39 HA ILE 39 -6.632 14.521 -1.863 264 HB ILE 39 HB ILE 39 -4.470 15.003 -0.521 265 HG12 ILE 39 1HG1 ILE 39 -3.456 12.615 -2.046 266 HG13 ILE 39 2HG1 ILE 39 -3.067 14.254 -2.557 267 HG21 ILE 39 1HG2 ILE 39 -4.518 12.397 0.116 268 HG22 ILE 39 2HG2 ILE 39 -5.776 13.536 0.595 269 HG23 ILE 39 3HG2 ILE 39 -6.012 12.504 -0.816 270 HD11 ILE 39 1HD1 ILE 39 -1.380 14.258 -1.136 271 HD12 ILE 39 2HD1 ILE 39 -2.522 14.106 0.199 272 HD13 ILE 39 3HD1 ILE 39 -1.840 12.661 -0.547 273 H SER 40 H SER 40 -6.748 16.696 -1.574 274 HA SER 40 HA SER 40 -5.535 18.348 -3.613 275 HB2 SER 40 1HB SER 40 -7.524 18.909 -1.410 276 HB3 SER 40 2HB SER 40 -6.889 20.173 -2.464 277 HG SER 40 HG SER 40 -8.890 19.243 -3.193 278 H GLU 41 H GLU 41 -3.671 17.217 -1.810 279 HA GLU 41 HA GLU 41 -2.615 19.671 -0.581 280 HB2 GLU 41 1HB GLU 41 -2.687 16.902 0.615 281 HB3 GLU 41 2HB GLU 41 -1.627 18.172 1.211 282 HG2 GLU 41 1HG GLU 41 -3.725 17.908 2.502 283 HG3 GLU 41 2HG GLU 41 -3.481 19.526 1.846 284 H THR 42 H THR 42 -0.766 20.207 -1.510 285 HA THR 42 HA THR 42 0.759 18.232 -2.995 286 HB THR 42 HB THR 42 1.141 21.216 -2.692 287 HG1 THR 42 1HG THR 42 -0.044 19.544 -4.644 288 HG21 THR 42 1HG2 THR 42 3.064 19.342 -3.413 289 HG22 THR 42 2HG2 THR 42 3.110 21.075 -3.738 290 HG23 THR 42 3HG2 THR 42 2.464 19.967 -4.948 291 H ASP 43 H ASP 43 1.601 20.741 -0.597 292 HA ASP 43 HA ASP 43 4.146 20.124 0.010 293 HB2 ASP 43 1HB ASP 43 2.028 20.640 2.107 294 HB3 ASP 43 2HB ASP 43 3.758 20.916 2.281 295 H LEU 44 H LEU 44 5.229 18.363 0.568 296 HA LEU 44 HA LEU 44 3.786 16.008 1.468 297 HB2 LEU 44 1HB LEU 44 6.459 16.577 0.330 298 HB3 LEU 44 2HB LEU 44 6.331 15.185 1.403 299 HG LEU 44 HG LEU 44 4.370 15.410 -0.821 300 HD11 LEU 44 1HD1 LEU 44 5.823 14.668 -2.484 301 HD12 LEU 44 2HD1 LEU 44 7.096 14.272 -1.330 302 HD13 LEU 44 3HD1 LEU 44 6.722 15.959 -1.686 303 HD21 LEU 44 1HD2 LEU 44 4.158 13.166 -0.544 304 HD22 LEU 44 2HD2 LEU 44 4.726 13.576 1.075 305 HD23 LEU 44 3HD2 LEU 44 5.857 12.943 -0.122 306 H SER 45 H SER 45 6.785 17.632 2.525 307 HA SER 45 HA SER 45 7.035 16.395 4.983 308 HB2 SER 45 1HB SER 45 7.809 19.214 4.197 309 HB3 SER 45 2HB SER 45 8.356 18.403 5.665 310 HG SER 45 HG SER 45 9.122 16.714 4.121 311 H SER 46 H SER 46 5.292 19.384 4.195 312 HA SER 46 HA SER 46 4.504 20.139 6.736 313 HB2 SER 46 1HB SER 46 2.960 20.397 4.145 314 HB3 SER 46 2HB SER 46 2.596 21.277 5.628 315 HG SER 46 HG SER 46 5.100 21.393 4.304 316 H LEU 47 H LEU 47 3.585 17.384 4.959 317 HA LEU 47 HA LEU 47 1.191 16.964 6.601 318 HB2 LEU 47 1HB LEU 47 2.189 15.461 4.186 319 HB3 LEU 47 2HB LEU 47 0.691 15.125 5.052 320 HG LEU 47 HG LEU 47 1.301 17.675 3.557 321 HD11 LEU 47 1HD1 LEU 47 -0.630 16.695 2.121 322 HD12 LEU 47 2HD1 LEU 47 -0.103 15.153 2.793 323 HD13 LEU 47 3HD1 LEU 47 1.023 16.140 1.861 324 HD21 LEU 47 1HD2 LEU 47 -0.286 18.422 4.979 325 HD22 LEU 47 2HD2 LEU 47 -0.881 16.801 5.341 326 HD23 LEU 47 3HD2 LEU 47 -1.371 17.607 3.850 327 H THR 48 H THR 48 0.841 14.751 7.448 328 HA THR 48 HA THR 48 3.380 13.602 8.406 329 HB THR 48 HB THR 48 0.762 13.200 9.820 330 HG1 THR 48 1HG THR 48 0.932 15.420 9.764 331 HG21 THR 48 1HG2 THR 48 2.782 13.445 11.666 332 HG22 THR 48 2HG2 THR 48 3.591 12.659 10.311 333 HG23 THR 48 3HG2 THR 48 2.158 11.925 11.029 334 H ALA 49 H ALA 49 3.502 11.315 8.675 335 HA ALA 49 HA ALA 49 1.514 9.798 7.120 336 HB1 ALA 49 1HB ALA 49 4.324 10.139 6.588 337 HB2 ALA 49 2HB ALA 49 3.936 8.438 6.847 338 HB3 ALA 49 3HB ALA 49 3.082 9.359 5.609 339 H SER 50 H SER 50 0.530 8.374 8.381 340 HA SER 50 HA SER 50 2.091 6.723 10.197 341 HB2 SER 50 1HB SER 50 0.080 8.742 11.076 342 HB3 SER 50 2HB SER 50 0.109 7.192 11.917 343 HG SER 50 HG SER 50 1.949 7.710 12.811 344 H ILE 51 H ILE 51 1.229 4.711 10.524 345 HA ILE 51 HA ILE 51 -1.470 4.163 9.536 346 HB ILE 51 HB ILE 51 0.982 2.670 8.598 347 HG12 ILE 51 1HG1 ILE 51 -0.987 4.489 7.214 348 HG13 ILE 51 2HG1 ILE 51 0.757 4.680 7.337 349 HG21 ILE 51 1HG2 ILE 51 -0.915 1.177 9.063 350 HG22 ILE 51 2HG2 ILE 51 -1.922 2.143 7.984 351 HG23 ILE 51 3HG2 ILE 51 -0.538 1.259 7.342 352 HD11 ILE 51 1HD1 ILE 51 0.658 3.897 5.226 353 HD12 ILE 51 2HD1 ILE 51 0.681 2.343 6.060 354 HD13 ILE 51 3HD1 ILE 51 -0.848 3.022 5.502 355 H LYS 52 H LYS 52 -2.430 2.302 10.397 356 HA LYS 52 HA LYS 52 -0.919 0.750 12.351 357 HB2 LYS 52 1HB LYS 52 -1.844 2.613 13.645 358 HB3 LYS 52 2HB LYS 52 -3.455 2.247 13.039 359 HG2 LYS 52 1HG LYS 52 -3.572 1.215 15.056 360 HG3 LYS 52 2HG LYS 52 -2.927 -0.118 14.093 361 HD2 LYS 52 1HD LYS 52 -0.853 0.021 15.043 362 HD3 LYS 52 2HD LYS 52 -0.989 1.755 15.349 363 HE2 LYS 52 1HE LYS 52 -2.781 1.099 17.071 364 HE3 LYS 52 2HE LYS 52 -2.128 -0.533 16.923 365 HZ1 LYS 52 1HZ LYS 52 -0.338 1.741 17.478 366 HZ2 LYS 52 2HZ LYS 52 -0.113 0.101 17.821 367 HZ3 LYS 52 3HZ LYS 52 -1.205 1.014 18.735 368 H ALA 53 H ALA 53 -1.204 -1.225 11.520 369 HA ALA 53 HA ALA 53 -3.151 -2.198 9.896 370 HB1 ALA 53 1HB ALA 53 -1.060 -3.299 11.396 371 HB2 ALA 53 2HB ALA 53 -2.494 -4.243 11.805 372 HB3 ALA 53 3HB ALA 53 -1.996 -4.080 10.121 373 HA PRO 54 HA PRO 54 -6.941 -2.763 12.038 374 HB2 PRO 54 1HB PRO 54 -7.684 -5.302 11.429 375 HB3 PRO 54 2HB PRO 54 -7.710 -3.985 10.251 376 HG2 PRO 54 1HG PRO 54 -5.653 -6.121 10.659 377 HG3 PRO 54 2HG PRO 54 -6.327 -5.492 9.144 378 HD2 PRO 54 1HD PRO 54 -3.911 -4.723 10.094 379 HD3 PRO 54 2HD PRO 54 -4.960 -3.637 9.160 380 H SER 55 H SER 55 -4.369 -4.976 12.742 381 HA SER 55 HA SER 55 -5.721 -6.001 15.119 382 HB2 SER 55 1HB SER 55 -3.139 -6.725 13.740 383 HB3 SER 55 2HB SER 55 -3.564 -7.362 15.328 384 HG SER 55 HG SER 55 -5.664 -7.875 14.069 385 H GLY 56 H GLY 56 -4.202 -3.256 14.436 386 HA2 GLY 56 1HA GLY 56 -3.473 -1.616 15.918 387 HA3 GLY 56 2HA GLY 56 -3.431 -2.825 17.192 388 H ARG 57 H ARG 57 -1.832 -3.442 14.176 389 HA ARG 57 HA ARG 57 0.746 -3.277 15.570 390 HB2 ARG 57 1HB ARG 57 0.083 -4.685 12.978 391 HB3 ARG 57 2HB ARG 57 1.595 -4.791 13.870 392 HG2 ARG 57 1HG ARG 57 0.466 -5.899 15.707 393 HG3 ARG 57 2HG ARG 57 -1.082 -5.735 14.875 394 HD2 ARG 57 1HD ARG 57 -0.342 -7.180 13.103 395 HD3 ARG 57 2HD ARG 57 1.289 -7.232 13.771 396 HE ARG 57 HE ARG 57 -0.697 -8.173 15.606 397 HH11 ARG 57 1HH1 ARG 57 1.315 -9.058 12.905 398 HH12 ARG 57 2HH1 ARG 57 1.323 -10.745 13.295 399 HH21 ARG 57 1HH2 ARG 57 -0.694 -10.393 16.130 400 HH22 ARG 57 2HH2 ARG 57 0.179 -11.504 15.130 401 H ASP 58 H ASP 58 1.762 -1.409 15.262 402 HA ASP 58 HA ASP 58 1.270 0.428 13.224 403 HB2 ASP 58 1HB ASP 58 2.353 1.260 15.143 404 HB3 ASP 58 2HB ASP 58 3.605 0.023 15.079 405 H GLU 59 H GLU 59 2.413 0.995 11.349 406 HA GLU 59 HA GLU 59 4.311 -1.005 10.333 407 HB2 GLU 59 1HB GLU 59 2.051 0.175 8.709 408 HB3 GLU 59 2HB GLU 59 3.236 -1.001 8.157 409 HG2 GLU 59 1HG GLU 59 1.165 -1.454 10.292 410 HG3 GLU 59 2HG GLU 59 1.093 -2.046 8.634 411 HA PRO 60 HA PRO 60 6.735 2.504 9.249 412 HB2 PRO 60 1HB PRO 60 8.299 1.377 7.338 413 HB3 PRO 60 2HB PRO 60 8.496 1.041 9.062 414 HG2 PRO 60 1HG PRO 60 7.100 -0.577 6.965 415 HG3 PRO 60 2HG PRO 60 8.181 -1.120 8.261 416 HD2 PRO 60 1HD PRO 60 5.486 -1.314 8.435 417 HD3 PRO 60 2HD PRO 60 6.517 -1.040 9.854 418 H CYS 61 H CYS 61 5.542 4.050 8.242 419 HA CYS 61 HA CYS 61 4.908 3.651 5.396 420 HB2 CYS 61 1HB CYS 61 3.197 5.405 5.694 421 HB3 CYS 61 2HB CYS 61 2.929 4.035 6.766 422 HG CYS 61 HG CYS 61 3.411 5.259 9.064 423 H LEU 62 H LEU 62 5.458 5.211 3.895 424 HA LEU 62 HA LEU 62 6.969 7.541 4.813 425 HB2 LEU 62 1HB LEU 62 8.434 5.475 4.233 426 HB3 LEU 62 2HB LEU 62 8.053 5.892 2.564 427 HG LEU 62 HG LEU 62 10.187 6.814 3.086 428 HD11 LEU 62 1HD1 LEU 62 8.457 9.222 3.373 429 HD12 LEU 62 2HD1 LEU 62 8.311 8.225 1.926 430 HD13 LEU 62 3HD1 LEU 62 9.862 8.957 2.340 431 HD21 LEU 62 1HD2 LEU 62 10.539 8.364 4.941 432 HD22 LEU 62 2HD2 LEU 62 10.010 6.783 5.519 433 HD23 LEU 62 3HD2 LEU 62 8.869 8.127 5.460 434 H LEU 63 H LEU 63 6.234 9.291 3.821 435 HA LEU 63 HA LEU 63 4.614 9.016 1.423 436 HB2 LEU 63 1HB LEU 63 5.075 11.143 3.452 437 HB3 LEU 63 2HB LEU 63 4.497 11.617 1.856 438 HG LEU 63 HG LEU 63 3.067 9.542 3.490 439 HD11 LEU 63 1HD1 LEU 63 2.370 12.461 3.503 440 HD12 LEU 63 2HD1 LEU 63 3.386 11.729 4.745 441 HD13 LEU 63 3HD1 LEU 63 1.729 11.170 4.518 442 HD21 LEU 63 1HD2 LEU 63 1.152 10.611 2.123 443 HD22 LEU 63 2HD2 LEU 63 2.265 9.508 1.313 444 HD23 LEU 63 3HD2 LEU 63 2.447 11.251 1.112 445 H LYS 64 H LYS 64 5.195 9.634 -0.575 446 HA LYS 64 HA LYS 64 7.627 11.237 -0.918 447 HB2 LYS 64 1HB LYS 64 8.349 9.726 -2.760 448 HB3 LYS 64 2HB LYS 64 8.390 8.967 -1.174 449 HG2 LYS 64 1HG LYS 64 6.144 7.972 -1.711 450 HG3 LYS 64 2HG LYS 64 6.367 8.558 -3.360 451 HD2 LYS 64 1HD LYS 64 7.102 6.317 -3.378 452 HD3 LYS 64 2HD LYS 64 8.572 7.296 -3.354 453 HE2 LYS 64 1HE LYS 64 8.263 7.008 -0.734 454 HE3 LYS 64 2HE LYS 64 7.399 5.559 -1.245 455 HZ1 LYS 64 1HZ LYS 64 10.146 6.221 -2.148 456 HZ2 LYS 64 2HZ LYS 64 9.321 4.758 -2.348 457 HZ3 LYS 64 3HZ LYS 64 9.819 5.244 -0.806 458 H ARG 65 H ARG 65 7.837 12.126 -3.118 459 HA ARG 65 HA ARG 65 5.230 12.962 -4.096 460 HB2 ARG 65 1HB ARG 65 7.407 14.415 -3.684 461 HB3 ARG 65 2HB ARG 65 7.780 13.906 -5.326 462 HG2 ARG 65 1HG ARG 65 5.311 15.385 -4.439 463 HG3 ARG 65 2HG ARG 65 6.679 16.061 -5.325 464 HD2 ARG 65 1HD ARG 65 6.116 14.122 -7.012 465 HD3 ARG 65 2HD ARG 65 4.526 14.223 -6.255 466 HE ARG 65 HE ARG 65 4.166 16.151 -7.415 467 HH11 ARG 65 1HH1 ARG 65 7.598 15.588 -7.240 468 HH12 ARG 65 2HH1 ARG 65 8.000 16.927 -8.263 469 HH21 ARG 65 1HH2 ARG 65 4.684 17.916 -8.762 470 HH22 ARG 65 2HH2 ARG 65 6.343 18.250 -9.128 471 H LEU 66 H LEU 66 4.256 11.921 -5.692 472 HA LEU 66 HA LEU 66 5.779 10.149 -7.424 473 HB2 LEU 66 1HB LEU 66 2.820 10.644 -7.146 474 HB3 LEU 66 2HB LEU 66 3.532 9.483 -8.265 475 HG LEU 66 HG LEU 66 3.854 9.342 -5.271 476 HD11 LEU 66 1HD1 LEU 66 2.194 7.519 -5.383 477 HD12 LEU 66 2HD1 LEU 66 1.886 7.934 -7.069 478 HD13 LEU 66 3HD1 LEU 66 1.512 9.093 -5.793 479 HD21 LEU 66 1HD2 LEU 66 4.636 7.105 -5.685 480 HD22 LEU 66 2HD2 LEU 66 5.588 8.234 -6.650 481 HD23 LEU 66 3HD2 LEU 66 4.320 7.272 -7.412 482 HA PRO 67 HA PRO 67 5.923 12.789 -10.930 483 HB2 PRO 67 1HB PRO 67 5.711 10.986 -12.947 484 HB3 PRO 67 2HB PRO 67 7.166 11.153 -11.958 485 HG2 PRO 67 1HG PRO 67 4.950 9.152 -11.746 486 HG3 PRO 67 2HG PRO 67 6.701 8.900 -11.618 487 HD2 PRO 67 1HD PRO 67 5.089 9.060 -9.448 488 HD3 PRO 67 2HD PRO 67 6.771 9.625 -9.431 489 H ASN 68 H ASN 68 4.755 12.894 -13.249 490 HA ASN 68 HA ASN 68 2.860 13.595 -14.301 491 HB2 ASN 68 1HB ASN 68 1.655 11.215 -12.870 492 HB3 ASN 68 2HB ASN 68 0.976 12.024 -14.279 493 HD21 ASN 68 1HD2 ASN 68 2.140 9.261 -13.631 494 HD22 ASN 68 2HD2 ASN 68 3.186 8.948 -14.969 495 H ASN 69 H ASN 69 3.427 14.702 -11.658 496 HA ASN 69 HA ASN 69 2.487 16.101 -10.131 497 HB2 ASN 69 1HB ASN 69 0.473 16.117 -12.350 498 HB3 ASN 69 2HB ASN 69 0.100 16.942 -10.838 499 HD21 ASN 69 1HD2 ASN 69 0.038 18.776 -12.386 500 HD22 ASN 69 2HD2 ASN 69 1.514 19.625 -12.679 501 H HIS 70 H HIS 70 2.406 13.597 -9.275 502 HA HIS 70 HA HIS 70 -0.188 13.435 -7.916 503 HB2 HIS 70 1HB HIS 70 1.262 11.077 -9.137 504 HB3 HIS 70 2HB HIS 70 -0.194 10.982 -8.152 505 HD1 HIS 70 1HD HIS 70 -1.645 13.427 -9.562 506 HD2 HIS 70 2HD HIS 70 0.092 10.170 -11.468 507 HE1 HIS 70 1HE HIS 70 -2.788 13.268 -11.797 508 HE2 HIS 70 2HE HIS 70 -1.781 11.239 -12.897 509 H ILE 71 H ILE 71 -0.109 12.130 -5.929 510 HA ILE 71 HA ILE 71 2.555 11.709 -4.811 511 HB ILE 71 HB ILE 71 0.496 13.492 -3.504 512 HG12 ILE 71 1HG1 ILE 71 3.250 14.027 -4.630 513 HG13 ILE 71 2HG1 ILE 71 1.721 14.685 -5.203 514 HG21 ILE 71 1HG2 ILE 71 3.119 13.313 -2.255 515 HG22 ILE 71 2HG2 ILE 71 1.513 13.229 -1.534 516 HG23 ILE 71 3HG2 ILE 71 2.239 11.785 -2.239 517 HD11 ILE 71 1HD1 ILE 71 2.516 15.226 -2.396 518 HD12 ILE 71 2HD1 ILE 71 3.346 16.088 -3.693 519 HD13 ILE 71 3HD1 ILE 71 1.595 16.219 -3.527 520 H GLY 72 H GLY 72 2.650 9.982 -3.491 521 HA2 GLY 72 1HA GLY 72 0.183 8.974 -2.272 522 HA3 GLY 72 2HA GLY 72 1.054 7.907 -3.362 523 H ILE 73 H ILE 73 0.617 7.101 -0.805 524 HA ILE 73 HA ILE 73 3.105 7.614 0.658 525 HB ILE 73 HB ILE 73 0.961 7.809 1.891 526 HG12 ILE 73 1HG1 ILE 73 2.512 5.455 2.952 527 HG13 ILE 73 2HG1 ILE 73 3.209 7.071 2.902 528 HG21 ILE 73 1HG2 ILE 73 0.540 4.946 2.171 529 HG22 ILE 73 2HG2 ILE 73 -0.622 6.237 1.872 530 HG23 ILE 73 3HG2 ILE 73 0.265 5.520 0.527 531 HD11 ILE 73 1HD1 ILE 73 0.931 7.654 4.141 532 HD12 ILE 73 2HD1 ILE 73 1.089 5.968 4.637 533 HD13 ILE 73 3HD1 ILE 73 2.375 7.118 5.000 534 H SER 74 H SER 74 4.310 5.834 1.552 535 HA SER 74 HA SER 74 3.917 3.259 0.199 536 HB2 SER 74 1HB SER 74 5.615 4.549 -1.067 537 HB3 SER 74 2HB SER 74 6.583 4.683 0.402 538 HG SER 74 HG SER 74 5.782 2.134 -0.410 539 H PHE 75 H PHE 75 3.567 1.876 1.805 540 HA PHE 75 HA PHE 75 5.461 1.839 4.046 541 HB2 PHE 75 1HB PHE 75 3.814 1.755 5.691 542 HB3 PHE 75 2HB PHE 75 3.162 2.941 4.565 543 HD1 PHE 75 1HD PHE 75 1.447 2.158 2.867 544 HD2 PHE 75 2HD PHE 75 2.605 -0.157 6.246 545 HE1 PHE 75 1HE PHE 75 -0.613 0.829 2.659 546 HE2 PHE 75 2HE PHE 75 0.548 -1.490 6.042 547 HZ PHE 75 HZ PHE 75 -1.064 -0.999 4.247 548 H ILE 76 H ILE 76 5.407 -0.241 5.245 549 HA ILE 76 HA ILE 76 4.949 -2.452 3.365 550 HB ILE 76 HB ILE 76 6.729 -2.335 5.802 551 HG12 ILE 76 1HG1 ILE 76 7.719 -2.746 3.014 552 HG13 ILE 76 2HG1 ILE 76 7.276 -1.117 3.513 553 HG21 ILE 76 1HG2 ILE 76 5.640 -4.571 5.172 554 HG22 ILE 76 2HG2 ILE 76 6.695 -4.529 3.761 555 HG23 ILE 76 3HG2 ILE 76 7.389 -4.532 5.381 556 HD11 ILE 76 1HD1 ILE 76 9.424 -1.027 4.147 557 HD12 ILE 76 2HD1 ILE 76 8.824 -1.850 5.588 558 HD13 ILE 76 3HD1 ILE 76 9.569 -2.778 4.286 559 HA PRO 77 HA PRO 77 1.556 -3.191 6.321 560 HB2 PRO 77 1HB PRO 77 0.044 -4.582 4.545 561 HB3 PRO 77 2HB PRO 77 0.061 -2.816 4.618 562 HG2 PRO 77 1HG PRO 77 1.520 -4.650 2.755 563 HG3 PRO 77 2HG PRO 77 0.668 -3.136 2.395 564 HD2 PRO 77 1HD PRO 77 3.361 -3.268 2.641 565 HD3 PRO 77 2HD PRO 77 2.428 -1.829 3.103 566 H ARG 78 H ARG 78 1.595 -4.838 7.711 567 HA ARG 78 HA ARG 78 2.844 -7.356 6.883 568 HB2 ARG 78 1HB ARG 78 2.194 -6.319 9.648 569 HB3 ARG 78 2HB ARG 78 3.039 -7.820 9.293 570 HG2 ARG 78 1HG ARG 78 4.117 -5.238 8.257 571 HG3 ARG 78 2HG ARG 78 4.377 -5.691 9.942 572 HD2 ARG 78 1HD ARG 78 5.167 -7.282 7.505 573 HD3 ARG 78 2HD ARG 78 6.251 -6.410 8.587 574 HE ARG 78 HE ARG 78 4.778 -8.256 10.094 575 HH11 ARG 78 1HH1 ARG 78 7.248 -8.186 7.641 576 HH12 ARG 78 2HH1 ARG 78 7.969 -9.680 8.140 577 HH21 ARG 78 1HH2 ARG 78 5.718 -10.224 10.760 578 HH22 ARG 78 2HH2 ARG 78 7.097 -10.839 9.913 579 H GLU 79 H GLU 79 -0.129 -6.027 8.191 580 HA GLU 79 HA GLU 79 -1.341 -8.707 8.125 581 HB2 GLU 79 1HB GLU 79 -1.534 -7.585 10.279 582 HB3 GLU 79 2HB GLU 79 -2.257 -6.181 9.510 583 HG2 GLU 79 1HG GLU 79 -4.003 -7.417 10.524 584 HG3 GLU 79 2HG GLU 79 -4.141 -7.644 8.782 585 H VAL 80 H VAL 80 -3.449 -8.956 7.201 586 HA VAL 80 HA VAL 80 -3.921 -7.080 4.986 587 HB VAL 80 HB VAL 80 -5.204 -8.924 3.938 588 HG11 VAL 80 1HG1 VAL 80 -2.512 -10.027 4.616 589 HG12 VAL 80 2HG1 VAL 80 -3.345 -9.974 3.061 590 HG13 VAL 80 3HG1 VAL 80 -2.642 -8.504 3.737 591 HG21 VAL 80 1HG2 VAL 80 -4.974 -11.199 4.861 592 HG22 VAL 80 2HG2 VAL 80 -4.203 -10.520 6.296 593 HG23 VAL 80 3HG2 VAL 80 -5.883 -10.128 5.927 594 H GLY 81 H GLY 81 -5.902 -6.152 4.656 595 HA2 GLY 81 1HA GLY 81 -8.388 -6.661 5.324 596 HA3 GLY 81 2HA GLY 81 -7.752 -6.298 6.922 597 H GLU 82 H GLU 82 -8.825 -4.434 7.355 598 HA GLU 82 HA GLU 82 -8.681 -2.261 5.394 599 HB2 GLU 82 1HB GLU 82 -10.904 -2.764 6.257 600 HB3 GLU 82 2HB GLU 82 -10.336 -2.547 7.907 601 HG2 GLU 82 1HG GLU 82 -9.839 -0.183 7.381 602 HG3 GLU 82 2HG GLU 82 -10.540 -0.427 5.782 603 H HIS 83 H HIS 83 -6.808 -1.188 5.597 604 HA HIS 83 HA HIS 83 -5.737 -0.627 8.256 605 HB2 HIS 83 1HB HIS 83 -4.634 -0.622 5.489 606 HB3 HIS 83 2HB HIS 83 -3.900 0.466 6.664 607 HD1 HIS 83 1HD HIS 83 -4.974 -3.192 6.796 608 HD2 HIS 83 2HD HIS 83 -1.751 -0.746 7.739 609 HE1 HIS 83 1HE HIS 83 -3.238 -4.719 7.787 610 HE2 HIS 83 2HE HIS 83 -1.331 -3.203 8.428 611 H LEU 84 H LEU 84 -5.399 1.434 9.052 612 HA LEU 84 HA LEU 84 -6.803 3.586 7.607 613 HB2 LEU 84 1HB LEU 84 -6.629 2.907 10.514 614 HB3 LEU 84 2HB LEU 84 -6.933 4.568 10.012 615 HG LEU 84 HG LEU 84 -8.662 2.215 9.255 616 HD11 LEU 84 1HD1 LEU 84 -8.756 4.111 11.560 617 HD12 LEU 84 2HD1 LEU 84 -9.040 2.371 11.525 618 HD13 LEU 84 3HD1 LEU 84 -10.252 3.475 10.876 619 HD21 LEU 84 1HD2 LEU 84 -9.262 3.714 7.679 620 HD22 LEU 84 2HD2 LEU 84 -8.632 5.087 8.588 621 HD23 LEU 84 3HD2 LEU 84 -10.204 4.402 9.002 622 H VAL 85 H VAL 85 -5.490 5.080 6.820 623 HA VAL 85 HA VAL 85 -2.848 5.457 8.024 624 HB VAL 85 HB VAL 85 -3.850 6.659 5.446 625 HG11 VAL 85 1HG1 VAL 85 -1.817 7.546 5.232 626 HG12 VAL 85 2HG1 VAL 85 -1.565 7.140 6.932 627 HG13 VAL 85 3HG1 VAL 85 -1.028 6.030 5.668 628 HG21 VAL 85 1HG2 VAL 85 -3.160 3.910 6.052 629 HG22 VAL 85 2HG2 VAL 85 -3.878 4.597 4.595 630 HG23 VAL 85 3HG2 VAL 85 -2.126 4.590 4.796 631 H SER 86 H SER 86 -2.536 7.074 9.390 632 HA SER 86 HA SER 86 -4.476 9.226 9.574 633 HB2 SER 86 1HB SER 86 -2.024 9.152 11.278 634 HB3 SER 86 2HB SER 86 -3.673 9.611 11.702 635 HG SER 86 HG SER 86 -3.915 7.659 12.406 636 H ILE 87 H ILE 87 -4.226 10.756 8.058 637 HA ILE 87 HA ILE 87 -1.520 11.836 7.617 638 HB ILE 87 HB ILE 87 -3.887 12.111 5.766 639 HG12 ILE 87 1HG1 ILE 87 -3.371 9.794 5.761 640 HG13 ILE 87 2HG1 ILE 87 -2.566 10.461 4.345 641 HG21 ILE 87 1HG2 ILE 87 -0.988 12.490 5.094 642 HG22 ILE 87 2HG2 ILE 87 -2.409 13.049 4.214 643 HG23 ILE 87 3HG2 ILE 87 -1.968 13.803 5.746 644 HD11 ILE 87 1HD1 ILE 87 -0.825 9.281 5.115 645 HD12 ILE 87 2HD1 ILE 87 -0.598 10.675 6.171 646 HD13 ILE 87 3HD1 ILE 87 -1.441 9.245 6.766 647 H LYS 88 H LYS 88 -1.192 13.661 8.689 648 HA LYS 88 HA LYS 88 -3.340 15.670 8.729 649 HB2 LYS 88 1HB LYS 88 -1.480 15.509 11.053 650 HB3 LYS 88 2HB LYS 88 -3.143 16.075 10.986 651 HG2 LYS 88 1HG LYS 88 -4.007 13.903 11.061 652 HG3 LYS 88 2HG LYS 88 -2.454 13.178 10.641 653 HD2 LYS 88 1HD LYS 88 -1.577 14.090 12.827 654 HD3 LYS 88 2HD LYS 88 -3.248 14.483 13.237 655 HE2 LYS 88 1HE LYS 88 -3.116 12.416 14.183 656 HE3 LYS 88 2HE LYS 88 -3.619 11.950 12.559 657 HZ1 LYS 88 1HZ LYS 88 -0.794 12.169 12.719 658 HZ2 LYS 88 2HZ LYS 88 -1.737 10.840 12.270 659 HZ3 LYS 88 3HZ LYS 88 -1.370 11.104 13.900 660 H LYS 89 H LYS 89 -2.409 17.872 9.415 661 HA LYS 89 HA LYS 89 0.251 18.233 8.199 662 HB2 LYS 89 1HB LYS 89 -1.487 19.008 6.661 663 HB3 LYS 89 2HB LYS 89 -2.163 20.034 7.920 664 HG2 LYS 89 1HG LYS 89 -0.059 21.316 7.966 665 HG3 LYS 89 2HG LYS 89 0.550 20.319 6.643 666 HD2 LYS 89 1HD LYS 89 -2.071 21.712 6.332 667 HD3 LYS 89 2HD LYS 89 -0.578 22.638 6.162 668 HE2 LYS 89 1HE LYS 89 0.183 20.960 4.481 669 HE3 LYS 89 2HE LYS 89 -1.410 20.210 4.579 670 HZ1 LYS 89 1HZ LYS 89 -2.175 22.649 4.074 671 HZ2 LYS 89 2HZ LYS 89 -1.717 21.605 2.825 672 HZ3 LYS 89 3HZ LYS 89 -0.631 22.771 3.393 673 H ASN 90 H ASN 90 1.559 18.681 9.861 674 HA ASN 90 HA ASN 90 2.470 19.732 11.659 675 HB2 ASN 90 1HB ASN 90 0.643 21.803 10.531 676 HB3 ASN 90 2HB ASN 90 1.344 22.094 12.120 677 HD21 ASN 90 1HD2 ASN 90 1.921 21.867 8.733 678 HD22 ASN 90 2HD2 ASN 90 3.564 22.402 8.758 679 H GLY 91 H GLY 91 0.178 17.932 11.992 680 HA2 GLY 91 1HA GLY 91 -0.681 17.111 14.029 681 HA3 GLY 91 2HA GLY 91 -0.480 18.709 14.732 682 H ASN 92 H ASN 92 -1.959 18.592 11.642 683 HA ASN 92 HA ASN 92 -4.632 18.761 12.857 684 HB2 ASN 92 1HB ASN 92 -3.285 20.705 11.016 685 HB3 ASN 92 2HB ASN 92 -5.034 20.515 10.948 686 HD21 ASN 92 1HD2 ASN 92 -2.396 21.867 12.615 687 HD22 ASN 92 2HD2 ASN 92 -3.286 22.610 13.896 688 H HIS 93 H HIS 93 -5.507 16.898 12.148 689 HA HIS 93 HA HIS 93 -5.011 15.358 10.006 690 HB2 HIS 93 1HB HIS 93 -7.536 15.996 11.450 691 HB3 HIS 93 2HB HIS 93 -7.664 15.077 9.953 692 HD1 HIS 93 1HD HIS 93 -6.851 12.655 9.982 693 HD2 HIS 93 2HD HIS 93 -6.242 14.651 13.574 694 HE1 HIS 93 1HE HIS 93 -6.220 10.874 11.641 695 HE2 HIS 93 2HE HIS 93 -5.940 12.095 13.827 696 H VAL 94 H VAL 94 -5.462 15.264 7.839 697 HA VAL 94 HA VAL 94 -6.368 17.782 6.625 698 HB VAL 94 HB VAL 94 -5.233 17.098 4.605 699 HG11 VAL 94 1HG1 VAL 94 -3.986 18.084 6.636 700 HG12 VAL 94 2HG1 VAL 94 -3.284 16.473 6.794 701 HG13 VAL 94 3HG1 VAL 94 -3.038 17.401 5.314 702 HG21 VAL 94 1HG2 VAL 94 -4.463 15.015 4.147 703 HG22 VAL 94 2HG2 VAL 94 -4.025 14.686 5.823 704 HG23 VAL 94 3HG2 VAL 94 -5.708 14.560 5.310 705 H ALA 95 H ALA 95 -7.287 17.275 4.278 706 HA ALA 95 HA ALA 95 -9.796 16.017 4.692 707 HB1 ALA 95 1HB ALA 95 -8.455 17.110 2.231 708 HB2 ALA 95 2HB ALA 95 -10.079 16.421 2.217 709 HB3 ALA 95 3HB ALA 95 -9.734 17.847 3.194 710 H ASN 96 H ASN 96 -10.611 14.094 3.921 711 HA ASN 96 HA ASN 96 -10.637 11.945 3.168 712 HB2 ASN 96 1HB ASN 96 -8.042 12.578 1.751 713 HB3 ASN 96 2HB ASN 96 -9.173 11.281 1.375 714 HD21 ASN 96 1HD2 ASN 96 -8.323 13.070 -0.534 715 HD22 ASN 96 2HD2 ASN 96 -9.651 14.067 -1.013 716 H SER 97 H SER 97 -9.179 12.845 5.601 717 HA SER 97 HA SER 97 -7.502 10.448 5.943 718 HB2 SER 97 1HB SER 97 -5.969 12.277 5.906 719 HB3 SER 97 2HB SER 97 -7.001 13.250 6.953 720 HG SER 97 HG SER 97 -5.598 12.461 8.367 721 HA PRO 98 HA PRO 98 -6.379 9.541 7.667 722 HB2 PRO 98 1HB PRO 98 -6.958 7.038 8.545 723 HB3 PRO 98 2HB PRO 98 -6.411 8.330 9.620 724 HG2 PRO 98 1HG PRO 98 -9.189 7.338 9.113 725 HG3 PRO 98 2HG PRO 98 -8.418 7.770 10.650 726 HD2 PRO 98 1HD PRO 98 -10.113 9.436 9.353 727 HD3 PRO 98 2HD PRO 98 -8.754 10.027 10.331 728 H VAL 99 H VAL 99 -5.784 8.388 5.881 729 HA VAL 99 HA VAL 99 -7.801 7.823 3.928 730 HB VAL 99 HB VAL 99 -4.871 7.114 3.776 731 HG11 VAL 99 1HG1 VAL 99 -6.258 6.055 2.082 732 HG12 VAL 99 2HG1 VAL 99 -6.940 7.622 1.640 733 HG13 VAL 99 3HG1 VAL 99 -5.230 7.290 1.357 734 HG21 VAL 99 1HG2 VAL 99 -4.325 9.241 3.144 735 HG22 VAL 99 2HG2 VAL 99 -5.949 9.603 2.555 736 HG23 VAL 99 3HG2 VAL 99 -5.620 9.596 4.288 737 H SER 100 H SER 100 -8.814 5.966 3.553 738 HA SER 100 HA SER 100 -8.066 3.612 5.087 739 HB2 SER 100 1HB SER 100 -10.207 2.714 4.452 740 HB3 SER 100 2HB SER 100 -10.449 4.399 4.912 741 HG SER 100 HG SER 100 -10.055 4.663 2.456 742 H ILE 101 H ILE 101 -7.223 1.773 4.276 743 HA ILE 101 HA ILE 101 -7.020 1.474 1.365 744 HB ILE 101 HB ILE 101 -4.676 1.055 3.223 745 HG12 ILE 101 1HG1 ILE 101 -5.197 3.279 1.238 746 HG13 ILE 101 2HG1 ILE 101 -5.199 3.443 2.989 747 HG21 ILE 101 1HG2 ILE 101 -4.114 1.308 0.396 748 HG22 ILE 101 2HG2 ILE 101 -3.642 0.046 1.531 749 HG23 ILE 101 3HG2 ILE 101 -5.210 -0.032 0.729 750 HD11 ILE 101 1HD1 ILE 101 -3.109 4.110 1.565 751 HD12 ILE 101 2HD1 ILE 101 -2.924 3.333 3.138 752 HD13 ILE 101 3HD1 ILE 101 -2.763 2.384 1.660 753 H MET 102 H MET 102 -7.044 -0.620 0.625 754 HA MET 102 HA MET 102 -7.687 -2.654 2.640 755 HB2 MET 102 1HB MET 102 -9.298 -2.131 0.754 756 HB3 MET 102 2HB MET 102 -8.119 -2.841 -0.340 757 HG2 MET 102 1HG MET 102 -9.594 -4.575 0.064 758 HG3 MET 102 2HG MET 102 -8.258 -4.908 1.164 759 HE1 MET 102 1HE MET 102 -10.294 -5.851 4.088 760 HE2 MET 102 2HE MET 102 -9.790 -6.573 2.559 761 HE3 MET 102 3HE MET 102 -8.652 -5.604 3.496 762 H VAL 103 H VAL 103 -6.260 -4.186 3.105 763 HA VAL 103 HA VAL 103 -4.063 -4.679 1.204 764 HB VAL 103 HB VAL 103 -4.062 -5.123 4.193 765 HG11 VAL 103 1HG1 VAL 103 -1.809 -5.752 4.012 766 HG12 VAL 103 2HG1 VAL 103 -2.623 -6.617 2.707 767 HG13 VAL 103 3HG1 VAL 103 -1.689 -5.164 2.353 768 HG21 VAL 103 1HG2 VAL 103 -2.724 -2.975 2.551 769 HG22 VAL 103 2HG2 VAL 103 -4.102 -2.746 3.627 770 HG23 VAL 103 3HG2 VAL 103 -2.536 -3.215 4.287 771 H VAL 104 H VAL 104 -3.886 -6.641 0.334 772 HA VAL 104 HA VAL 104 -5.117 -8.930 1.696 773 HB VAL 104 HB VAL 104 -6.072 -9.768 -0.377 774 HG11 VAL 104 1HG1 VAL 104 -7.362 -8.221 1.125 775 HG12 VAL 104 2HG1 VAL 104 -6.976 -6.920 -0.004 776 HG13 VAL 104 3HG1 VAL 104 -7.935 -8.301 -0.541 777 HG21 VAL 104 1HG2 VAL 104 -4.516 -7.570 -1.525 778 HG22 VAL 104 2HG2 VAL 104 -5.053 -9.083 -2.256 779 HG23 VAL 104 3HG2 VAL 104 -6.153 -7.706 -2.168 780 H GLN 105 H GLN 105 -4.118 -10.902 1.346 781 HA GLN 105 HA GLN 105 -1.365 -10.802 0.641 782 HB2 GLN 105 1HB GLN 105 -3.264 -12.964 1.464 783 HB3 GLN 105 2HB GLN 105 -1.690 -13.401 0.814 784 HG2 GLN 105 1HG GLN 105 -0.556 -12.282 2.567 785 HG3 GLN 105 2HG GLN 105 -2.044 -11.518 3.127 786 HE21 GLN 105 1HE2 GLN 105 -0.304 -13.028 4.741 787 HE22 GLN 105 2HE2 GLN 105 -1.154 -14.433 5.280 788 H SER 106 H SER 106 -0.409 -11.113 -1.260 789 HA SER 106 HA SER 106 -1.956 -11.475 -3.625 790 HB2 SER 106 1HB SER 106 0.211 -11.404 -4.795 791 HB3 SER 106 2HB SER 106 0.079 -10.100 -3.615 792 HG SER 106 HG SER 106 2.034 -11.741 -3.780 793 H GLU 107 H GLU 107 0.535 -13.481 -2.053 794 HA GLU 107 HA GLU 107 -0.688 -15.831 -3.338 795 HB2 GLU 107 1HB GLU 107 1.397 -15.360 -4.482 796 HB3 GLU 107 2HB GLU 107 2.257 -15.271 -2.951 797 HG2 GLU 107 1HG GLU 107 1.651 -17.670 -2.576 798 HG3 GLU 107 2HG GLU 107 1.040 -17.704 -4.229 799 H ILE 108 H ILE 108 -0.755 -17.722 -2.130 800 HA ILE 108 HA ILE 108 -0.806 -17.360 0.710 801 HB ILE 108 HB ILE 108 -1.149 -19.888 -0.908 802 HG12 ILE 108 1HG1 ILE 108 -3.359 -18.319 0.384 803 HG13 ILE 108 2HG1 ILE 108 -2.766 -17.865 -1.210 804 HG21 ILE 108 1HG2 ILE 108 -2.503 -19.847 1.626 805 HG22 ILE 108 2HG2 ILE 108 -1.336 -21.009 0.999 806 HG23 ILE 108 3HG2 ILE 108 -0.775 -19.568 1.846 807 HD11 ILE 108 1HD1 ILE 108 -4.469 -19.244 -1.799 808 HD12 ILE 108 2HD1 ILE 108 -3.164 -20.426 -1.694 809 HD13 ILE 108 3HD1 ILE 108 -4.305 -20.251 -0.361 810 H GLY 109 H GLY 109 1.183 -17.075 1.599 811 HA2 GLY 109 1HA GLY 109 2.818 -19.360 2.004 812 HA3 GLY 109 2HA GLY 109 3.571 -18.277 0.843 813 H ASP 110 H ASP 110 3.992 -19.126 3.808 814 HA ASP 110 HA ASP 110 3.948 -16.541 5.129 815 HB2 ASP 110 1HB ASP 110 3.444 -18.822 6.228 816 HB3 ASP 110 2HB ASP 110 5.191 -19.045 6.243 817 H SER 111 H SER 111 5.446 -15.247 4.141 818 HA SER 111 HA SER 111 7.484 -14.350 3.678 819 HB2 SER 111 1HB SER 111 7.915 -14.818 6.065 820 HB3 SER 111 2HB SER 111 8.496 -16.427 5.637 821 HG SER 111 HG SER 111 9.671 -13.921 5.160 822 H GLY 112 H GLY 112 6.530 -16.219 1.865 823 HA2 GLY 112 1HA GLY 112 7.389 -17.159 -0.076 824 HA3 GLY 112 2HA GLY 112 9.003 -17.011 0.602 825 HA PRO 113 HA PRO 113 7.717 -21.499 0.556 826 HB2 PRO 113 1HB PRO 113 9.909 -22.384 -0.778 827 HB3 PRO 113 2HB PRO 113 8.448 -21.821 -1.597 828 HG2 PRO 113 1HG PRO 113 11.013 -20.366 -1.083 829 HG3 PRO 113 2HG PRO 113 10.023 -20.402 -2.554 830 HD2 PRO 113 1HD PRO 113 9.951 -18.341 -0.800 831 HD3 PRO 113 2HD PRO 113 8.531 -18.846 -1.740 832 H SER 114 H SER 114 8.049 -21.874 2.710 833 HA SER 114 HA SER 114 10.619 -22.880 3.491 834 HB2 SER 114 1HB SER 114 10.947 -21.349 5.400 835 HB3 SER 114 2HB SER 114 11.012 -20.489 3.862 836 HG SER 114 HG SER 114 8.605 -20.693 5.315 837 H SER 115 H SER 115 10.464 -24.319 5.149 838 HA SER 115 HA SER 115 8.066 -25.517 5.758 839 HB2 SER 115 1HB SER 115 10.509 -25.437 7.546 840 HB3 SER 115 2HB SER 115 9.228 -26.648 7.587 841 HG SER 115 HG SER 115 10.723 -27.576 6.336 842 H GLY 116 H GLY 116 7.274 -25.784 8.150 843 HA2 GLY 116 1HA GLY 116 6.314 -23.171 8.941 844 HA3 GLY 116 2HA GLY 116 5.817 -24.717 9.615 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -4.415 -24.585 3.863 2 HA2 GLY 1 1HA GLY 1 -6.266 -23.275 2.836 3 HA3 GLY 1 2HA GLY 1 -6.323 -22.380 4.347 4 H SER 2 H SER 2 -3.873 -21.660 4.933 5 HA SER 2 HA SER 2 -3.181 -19.850 2.769 6 HB2 SER 2 1HB SER 2 -2.047 -20.046 5.570 7 HB3 SER 2 2HB SER 2 -1.761 -18.737 4.424 8 HG SER 2 HG SER 2 -3.591 -17.892 4.997 9 H SER 3 H SER 3 -1.266 -19.804 1.672 10 HA SER 3 HA SER 3 0.382 -22.217 1.890 11 HB2 SER 3 1HB SER 3 1.186 -21.657 -0.352 12 HB3 SER 3 2HB SER 3 -0.577 -21.683 -0.323 13 HG SER 3 HG SER 3 0.603 -19.238 0.219 14 H GLY 4 H GLY 4 2.693 -22.075 1.814 15 HA2 GLY 4 1HA GLY 4 3.836 -20.344 3.638 16 HA3 GLY 4 2HA GLY 4 4.739 -21.213 2.405 17 H SER 5 H SER 5 4.228 -18.243 3.617 18 HA SER 5 HA SER 5 3.717 -16.459 1.637 19 HB2 SER 5 1HB SER 5 5.248 -14.894 2.773 20 HB3 SER 5 2HB SER 5 4.262 -15.786 3.931 21 HG SER 5 HG SER 5 5.998 -16.693 4.703 22 H SER 6 H SER 6 4.705 -15.640 -0.141 23 HA SER 6 HA SER 6 7.396 -16.615 -0.802 24 HB2 SER 6 1HB SER 6 6.650 -16.952 -3.157 25 HB3 SER 6 2HB SER 6 5.860 -18.045 -2.021 26 HG SER 6 HG SER 6 4.664 -16.537 -3.728 27 H GLY 7 H GLY 7 8.307 -15.388 -2.733 28 HA2 GLY 7 1HA GLY 7 7.300 -12.629 -2.853 29 HA3 GLY 7 2HA GLY 7 8.972 -12.906 -2.385 30 H ILE 8 H ILE 8 6.807 -14.156 -4.931 31 HA ILE 8 HA ILE 8 8.952 -14.266 -6.829 32 HB ILE 8 HB ILE 8 7.233 -14.936 -8.450 33 HG12 ILE 8 1HG1 ILE 8 4.901 -15.354 -7.265 34 HG13 ILE 8 2HG1 ILE 8 5.424 -14.007 -6.261 35 HG21 ILE 8 1HG2 ILE 8 7.589 -16.961 -7.618 36 HG22 ILE 8 2HG2 ILE 8 7.911 -16.279 -6.026 37 HG23 ILE 8 3HG2 ILE 8 6.263 -16.710 -6.483 38 HD11 ILE 8 1HD1 ILE 8 5.724 -13.564 -9.137 39 HD12 ILE 8 2HD1 ILE 8 4.061 -13.768 -8.585 40 HD13 ILE 8 3HD1 ILE 8 5.076 -12.509 -7.880 41 HA PRO 9 HA PRO 9 8.708 -10.209 -8.510 42 HB2 PRO 9 1HB PRO 9 9.608 -10.699 -11.024 43 HB3 PRO 9 2HB PRO 9 10.666 -10.700 -9.607 44 HG2 PRO 9 1HG PRO 9 9.430 -13.013 -11.052 45 HG3 PRO 9 2HG PRO 9 11.080 -12.838 -10.424 46 HD2 PRO 9 1HD PRO 9 9.165 -14.237 -9.116 47 HD3 PRO 9 2HD PRO 9 10.449 -13.353 -8.268 48 H GLY 10 H GLY 10 7.409 -8.907 -9.791 49 HA2 GLY 10 1HA GLY 10 4.992 -10.172 -10.784 50 HA3 GLY 10 2HA GLY 10 5.278 -8.446 -10.623 51 H SER 11 H SER 11 4.037 -9.067 -12.832 52 HA SER 11 HA SER 11 5.918 -9.619 -14.975 53 HB2 SER 11 1HB SER 11 2.949 -9.349 -14.767 54 HB3 SER 11 2HB SER 11 3.709 -9.100 -16.339 55 HG SER 11 HG SER 11 3.691 -11.192 -16.462 56 HA PRO 12 HA PRO 12 6.833 -5.415 -15.895 57 HB2 PRO 12 1HB PRO 12 7.524 -5.682 -18.506 58 HB3 PRO 12 2HB PRO 12 8.556 -6.228 -17.179 59 HG2 PRO 12 1HG PRO 12 6.695 -7.814 -18.905 60 HG3 PRO 12 2HG PRO 12 8.335 -8.217 -18.363 61 HD2 PRO 12 1HD PRO 12 6.119 -9.238 -17.187 62 HD3 PRO 12 2HD PRO 12 7.613 -8.908 -16.286 63 H PHE 13 H PHE 13 4.199 -7.077 -17.157 64 HA PHE 13 HA PHE 13 3.259 -5.428 -19.194 65 HB2 PHE 13 1HB PHE 13 1.971 -7.291 -17.248 66 HB3 PHE 13 2HB PHE 13 0.938 -6.227 -18.198 67 HD1 PHE 13 2HD PHE 13 2.156 -6.142 -20.790 68 HD2 PHE 13 1HD PHE 13 1.815 -9.418 -18.094 69 HE1 PHE 13 2HE PHE 13 2.283 -7.709 -22.682 70 HE2 PHE 13 1HE PHE 13 1.943 -10.990 -19.982 71 HZ PHE 13 HZ PHE 13 2.176 -10.137 -22.280 72 H THR 14 H THR 14 3.740 -3.274 -18.606 73 HA THR 14 HA THR 14 2.323 -2.131 -16.327 74 HB THR 14 HB THR 14 3.512 -0.019 -16.972 75 HG1 THR 14 1HG THR 14 5.408 -0.646 -18.457 76 HG21 THR 14 1HG2 THR 14 5.541 -0.645 -15.981 77 HG22 THR 14 2HG2 THR 14 5.488 -2.263 -16.681 78 HG23 THR 14 3HG2 THR 14 4.387 -1.832 -15.373 79 H ALA 15 H ALA 15 0.531 -0.922 -16.473 80 HA ALA 15 HA ALA 15 -0.217 0.536 -18.800 81 HB1 ALA 15 1HB ALA 15 -0.887 -1.462 -19.803 82 HB2 ALA 15 2HB ALA 15 -1.539 -2.108 -18.295 83 HB3 ALA 15 3HB ALA 15 -2.379 -0.803 -19.132 84 H LYS 16 H LYS 16 -1.938 1.935 -18.425 85 HA LYS 16 HA LYS 16 -2.453 2.553 -15.698 86 HB2 LYS 16 1HB LYS 16 -3.569 3.614 -18.290 87 HB3 LYS 16 2HB LYS 16 -4.089 4.219 -16.723 88 HG2 LYS 16 1HG LYS 16 -1.515 4.545 -16.345 89 HG3 LYS 16 2HG LYS 16 -1.478 4.541 -18.110 90 HD2 LYS 16 1HD LYS 16 -1.705 6.804 -17.467 91 HD3 LYS 16 2HD LYS 16 -3.302 6.295 -18.020 92 HE2 LYS 16 1HE LYS 16 -4.186 6.303 -15.894 93 HE3 LYS 16 2HE LYS 16 -2.619 6.052 -15.126 94 HZ1 LYS 16 1HZ LYS 16 -3.080 8.556 -16.580 95 HZ2 LYS 16 2HZ LYS 16 -2.114 8.260 -15.224 96 HZ3 LYS 16 3HZ LYS 16 -3.793 8.370 -15.057 97 H ILE 17 H ILE 17 -4.545 1.367 -18.325 98 HA ILE 17 HA ILE 17 -6.934 1.162 -16.997 99 HB ILE 17 HB ILE 17 -7.531 -0.665 -18.514 100 HG12 ILE 17 1HG1 ILE 17 -4.763 -0.598 -19.667 101 HG13 ILE 17 2HG1 ILE 17 -5.119 -1.652 -18.302 102 HG21 ILE 17 1HG2 ILE 17 -7.058 1.877 -19.187 103 HG22 ILE 17 2HG2 ILE 17 -5.928 1.080 -20.280 104 HG23 ILE 17 3HG2 ILE 17 -7.643 0.676 -20.337 105 HD11 ILE 17 1HD1 ILE 17 -5.617 -3.131 -19.904 106 HD12 ILE 17 2HD1 ILE 17 -7.157 -2.272 -19.960 107 HD13 ILE 17 3HD1 ILE 17 -5.887 -1.883 -21.120 108 H THR 18 H THR 18 -8.028 -0.966 -16.362 109 HA THR 18 HA THR 18 -6.203 -2.654 -14.791 110 HB THR 18 HB THR 18 -7.788 -2.685 -12.924 111 HG1 THR 18 1HG THR 18 -9.377 -0.751 -13.165 112 HG21 THR 18 1HG2 THR 18 -7.190 -0.628 -11.984 113 HG22 THR 18 2HG2 THR 18 -7.261 0.207 -13.537 114 HG23 THR 18 3HG2 THR 18 -5.941 -0.911 -13.197 115 H ASP 19 H ASP 19 -6.359 -4.534 -15.872 116 HA ASP 19 HA ASP 19 -8.756 -5.447 -17.115 117 HB2 ASP 19 1HB ASP 19 -6.126 -6.798 -16.504 118 HB3 ASP 19 2HB ASP 19 -7.446 -7.612 -17.337 119 H ASP 20 H ASP 20 -7.053 -6.302 -14.127 120 HA ASP 20 HA ASP 20 -8.715 -8.414 -13.336 121 HB2 ASP 20 1HB ASP 20 -7.466 -6.566 -11.329 122 HB3 ASP 20 2HB ASP 20 -7.639 -8.318 -11.270 123 H SER 21 H SER 21 -10.863 -7.810 -13.766 124 HA SER 21 HA SER 21 -12.102 -5.499 -12.725 125 HB2 SER 21 1HB SER 21 -13.216 -6.556 -14.520 126 HB3 SER 21 2HB SER 21 -13.171 -8.131 -13.731 127 HG SER 21 HG SER 21 -14.656 -7.330 -12.201 128 H ARG 22 H ARG 22 -11.252 -5.525 -10.535 129 HA ARG 22 HA ARG 22 -12.866 -7.234 -8.759 130 HB2 ARG 22 1HB ARG 22 -10.984 -7.170 -7.146 131 HB3 ARG 22 2HB ARG 22 -10.571 -7.985 -8.649 132 HG2 ARG 22 1HG ARG 22 -9.563 -5.780 -9.396 133 HG3 ARG 22 2HG ARG 22 -9.724 -5.264 -7.717 134 HD2 ARG 22 1HD ARG 22 -8.241 -6.929 -6.957 135 HD3 ARG 22 2HD ARG 22 -8.326 -7.810 -8.482 136 HE ARG 22 HE ARG 22 -6.642 -6.491 -9.263 137 HH11 ARG 22 1HH1 ARG 22 -8.188 -4.852 -6.608 138 HH12 ARG 22 2HH1 ARG 22 -7.063 -3.535 -6.596 139 HH21 ARG 22 1HH2 ARG 22 -5.155 -4.761 -9.257 140 HH22 ARG 22 2HH2 ARG 22 -5.340 -3.483 -8.104 141 H ARG 23 H ARG 23 -13.077 -6.284 -6.524 142 HA ARG 23 HA ARG 23 -13.571 -3.397 -6.769 143 HB2 ARG 23 1HB ARG 23 -14.896 -5.588 -5.218 144 HB3 ARG 23 2HB ARG 23 -15.001 -3.932 -4.636 145 HG2 ARG 23 1HG ARG 23 -15.843 -3.352 -6.976 146 HG3 ARG 23 2HG ARG 23 -16.062 -5.090 -7.187 147 HD2 ARG 23 1HD ARG 23 -18.138 -4.117 -6.454 148 HD3 ARG 23 2HD ARG 23 -17.477 -5.113 -5.158 149 HE ARG 23 HE ARG 23 -16.553 -2.615 -4.605 150 HH11 ARG 23 1HH1 ARG 23 -19.706 -3.979 -5.172 151 HH12 ARG 23 2HH1 ARG 23 -20.524 -2.843 -4.150 152 HH21 ARG 23 1HH2 ARG 23 -17.619 -1.115 -3.258 153 HH22 ARG 23 2HH2 ARG 23 -19.337 -1.214 -3.063 154 H CYS 24 H CYS 24 -12.340 -5.856 -4.526 155 HA CYS 24 HA CYS 24 -11.410 -3.935 -2.621 156 HB2 CYS 24 1HB CYS 24 -10.351 -5.858 -1.517 157 HB3 CYS 24 2HB CYS 24 -12.027 -6.201 -1.930 158 HG CYS 24 HG CYS 24 -10.165 -7.181 -4.428 159 H SER 25 H SER 25 -9.302 -3.289 -2.192 160 HA SER 25 HA SER 25 -7.615 -3.038 -4.484 161 HB2 SER 25 1HB SER 25 -7.057 -2.308 -1.599 162 HB3 SER 25 2HB SER 25 -6.133 -1.768 -3.000 163 HG SER 25 HG SER 25 -8.016 -0.707 -3.738 164 H GLN 26 H GLN 26 -5.756 -4.079 -4.992 165 HA GLN 26 HA GLN 26 -5.072 -6.410 -3.341 166 HB2 GLN 26 1HB GLN 26 -5.724 -6.651 -5.803 167 HB3 GLN 26 2HB GLN 26 -4.170 -5.915 -6.173 168 HG2 GLN 26 1HG GLN 26 -4.529 -8.428 -4.558 169 HG3 GLN 26 2HG GLN 26 -4.156 -8.382 -6.280 170 HE21 GLN 26 1HE2 GLN 26 -2.597 -9.563 -4.180 171 HE22 GLN 26 2HE2 GLN 26 -1.069 -8.759 -4.173 172 H VAL 27 H VAL 27 -3.257 -6.401 -2.202 173 HA VAL 27 HA VAL 27 -1.022 -4.710 -3.093 174 HB VAL 27 HB VAL 27 -1.671 -4.991 -0.175 175 HG11 VAL 27 1HG1 VAL 27 -0.478 -2.516 -0.984 176 HG12 VAL 27 2HG1 VAL 27 0.158 -3.760 0.093 177 HG13 VAL 27 3HG1 VAL 27 0.443 -3.866 -1.644 178 HG21 VAL 27 1HG2 VAL 27 -2.449 -2.432 -0.906 179 HG22 VAL 27 2HG2 VAL 27 -3.148 -3.469 -2.150 180 HG23 VAL 27 3HG2 VAL 27 -3.512 -3.763 -0.449 181 H LYS 28 H LYS 28 1.049 -5.437 -2.519 182 HA LYS 28 HA LYS 28 1.191 -8.307 -2.059 183 HB2 LYS 28 1HB LYS 28 3.435 -6.374 -2.665 184 HB3 LYS 28 2HB LYS 28 3.504 -8.130 -2.752 185 HG2 LYS 28 1HG LYS 28 1.706 -6.433 -4.469 186 HG3 LYS 28 2HG LYS 28 3.312 -6.983 -4.954 187 HD2 LYS 28 1HD LYS 28 1.227 -8.928 -4.023 188 HD3 LYS 28 2HD LYS 28 1.260 -8.359 -5.694 189 HE2 LYS 28 1HE LYS 28 3.658 -9.554 -4.323 190 HE3 LYS 28 2HE LYS 28 2.487 -10.524 -5.215 191 HZ1 LYS 28 1HZ LYS 28 2.957 -9.177 -7.184 192 HZ2 LYS 28 2HZ LYS 28 4.346 -9.959 -6.617 193 HZ3 LYS 28 3HZ LYS 28 4.126 -8.308 -6.322 194 H LEU 29 H LEU 29 1.023 -8.816 0.050 195 HA LEU 29 HA LEU 29 1.873 -7.246 2.206 196 HB2 LEU 29 1HB LEU 29 0.292 -9.274 2.150 197 HB3 LEU 29 2HB LEU 29 1.757 -10.242 2.299 198 HG LEU 29 HG LEU 29 2.237 -8.924 4.416 199 HD11 LEU 29 1HD1 LEU 29 0.603 -7.631 5.418 200 HD12 LEU 29 2HD1 LEU 29 -0.689 -8.314 4.432 201 HD13 LEU 29 3HD1 LEU 29 0.456 -7.177 3.720 202 HD21 LEU 29 1HD2 LEU 29 1.511 -10.779 5.390 203 HD22 LEU 29 2HD2 LEU 29 0.618 -11.180 3.922 204 HD23 LEU 29 3HD2 LEU 29 -0.162 -10.254 5.205 205 H GLY 30 H GLY 30 3.728 -7.158 3.401 206 HA2 GLY 30 1HA GLY 30 5.920 -7.551 4.012 207 HA3 GLY 30 2HA GLY 30 5.875 -9.026 3.058 208 H SER 31 H SER 31 4.953 -6.117 1.478 209 HA SER 31 HA SER 31 7.629 -5.614 0.449 210 HB2 SER 31 1HB SER 31 5.364 -6.701 -1.198 211 HB3 SER 31 2HB SER 31 6.583 -5.662 -1.935 212 HG SER 31 HG SER 31 8.036 -7.309 -0.699 213 H ALA 32 H ALA 32 7.944 -3.528 -0.141 214 HA ALA 32 HA ALA 32 6.169 -1.547 0.715 215 HB1 ALA 32 1HB ALA 32 8.749 -1.517 0.092 216 HB2 ALA 32 2HB ALA 32 8.113 -0.866 -1.420 217 HB3 ALA 32 3HB ALA 32 7.769 -0.050 0.105 218 H ALA 33 H ALA 33 4.227 -1.139 -0.106 219 HA ALA 33 HA ALA 33 3.880 -1.255 -3.030 220 HB1 ALA 33 1HB ALA 33 1.341 -1.274 -1.992 221 HB2 ALA 33 2HB ALA 33 2.245 -2.691 -2.526 222 HB3 ALA 33 3HB ALA 33 2.248 -2.233 -0.823 223 H ASP 34 H ASP 34 3.103 0.491 -4.096 224 HA ASP 34 HA ASP 34 2.953 2.984 -2.612 225 HB2 ASP 34 1HB ASP 34 2.689 3.934 -4.988 226 HB3 ASP 34 2HB ASP 34 4.234 3.201 -4.569 227 H PHE 35 H PHE 35 1.195 4.440 -2.736 228 HA PHE 35 HA PHE 35 -1.348 3.291 -3.655 229 HB2 PHE 35 1HB PHE 35 -0.869 4.623 -0.981 230 HB3 PHE 35 2HB PHE 35 -2.451 4.184 -1.615 231 HD1 PHE 35 2HD PHE 35 -3.136 1.859 -1.753 232 HD2 PHE 35 1HD PHE 35 0.648 2.956 -0.143 233 HE1 PHE 35 2HE PHE 35 -2.906 -0.387 -0.774 234 HE2 PHE 35 1HE PHE 35 0.885 0.713 0.837 235 HZ PHE 35 HZ PHE 35 -0.894 -0.962 0.525 236 H LEU 36 H LEU 36 -2.431 4.634 -4.932 237 HA LEU 36 HA LEU 36 -1.569 7.413 -5.119 238 HB2 LEU 36 1HB LEU 36 -2.003 5.713 -7.071 239 HB3 LEU 36 2HB LEU 36 -3.676 6.224 -6.862 240 HG LEU 36 HG LEU 36 -2.819 8.603 -7.185 241 HD11 LEU 36 1HD1 LEU 36 -0.629 7.949 -8.839 242 HD12 LEU 36 2HD1 LEU 36 -0.346 7.191 -7.273 243 HD13 LEU 36 3HD1 LEU 36 -0.637 8.927 -7.372 244 HD21 LEU 36 1HD2 LEU 36 -4.108 7.626 -8.903 245 HD22 LEU 36 2HD2 LEU 36 -2.802 6.536 -9.370 246 HD23 LEU 36 3HD2 LEU 36 -2.664 8.266 -9.690 247 H LEU 37 H LEU 37 -2.551 8.825 -3.835 248 HA LEU 37 HA LEU 37 -5.459 8.566 -3.440 249 HB2 LEU 37 1HB LEU 37 -5.293 9.207 -1.232 250 HB3 LEU 37 2HB LEU 37 -3.879 8.177 -1.439 251 HG LEU 37 HG LEU 37 -3.835 11.194 -1.485 252 HD11 LEU 37 1HD1 LEU 37 -2.769 9.429 0.694 253 HD12 LEU 37 2HD1 LEU 37 -4.419 10.047 0.722 254 HD13 LEU 37 3HD1 LEU 37 -3.058 11.168 0.720 255 HD21 LEU 37 1HD2 LEU 37 -1.370 10.788 -1.197 256 HD22 LEU 37 2HD2 LEU 37 -2.028 10.354 -2.775 257 HD23 LEU 37 3HD2 LEU 37 -1.678 9.096 -1.588 258 H ASP 38 H ASP 38 -6.668 10.254 -4.031 259 HA ASP 38 HA ASP 38 -5.413 12.535 -5.250 260 HB2 ASP 38 1HB ASP 38 -7.363 11.760 -6.346 261 HB3 ASP 38 2HB ASP 38 -8.281 11.703 -4.844 262 H ILE 39 H ILE 39 -4.448 13.869 -3.809 263 HA ILE 39 HA ILE 39 -6.197 15.116 -1.799 264 HB ILE 39 HB ILE 39 -4.167 15.350 -0.328 265 HG12 ILE 39 1HG1 ILE 39 -2.988 13.046 -1.839 266 HG13 ILE 39 2HG1 ILE 39 -2.658 14.693 -2.369 267 HG21 ILE 39 1HG2 ILE 39 -5.294 13.750 0.726 268 HG22 ILE 39 2HG2 ILE 39 -5.829 13.040 -0.796 269 HG23 ILE 39 3HG2 ILE 39 -4.274 12.578 -0.107 270 HD11 ILE 39 1HD1 ILE 39 -2.062 13.556 0.352 271 HD12 ILE 39 2HD1 ILE 39 -0.892 13.869 -0.932 272 HD13 ILE 39 3HD1 ILE 39 -1.743 15.212 -0.165 273 H SER 40 H SER 40 -6.060 17.298 -1.626 274 HA SER 40 HA SER 40 -4.560 18.683 -3.683 275 HB2 SER 40 1HB SER 40 -5.802 20.687 -2.885 276 HB3 SER 40 2HB SER 40 -6.869 19.351 -3.315 277 HG SER 40 HG SER 40 -7.089 20.584 -1.168 278 H GLU 41 H GLU 41 -3.115 17.429 -1.467 279 HA GLU 41 HA GLU 41 -1.856 19.839 -0.326 280 HB2 GLU 41 1HB GLU 41 -2.117 17.088 0.903 281 HB3 GLU 41 2HB GLU 41 -1.164 18.398 1.585 282 HG2 GLU 41 1HG GLU 41 -3.467 18.025 2.561 283 HG3 GLU 41 2HG GLU 41 -3.060 19.673 2.087 284 H THR 42 H THR 42 0.060 20.209 -1.200 285 HA THR 42 HA THR 42 1.686 17.909 -2.069 286 HB THR 42 HB THR 42 0.967 19.388 -3.924 287 HG1 THR 42 1HG THR 42 3.222 18.339 -3.614 288 HG21 THR 42 1HG2 THR 42 1.922 21.434 -2.095 289 HG22 THR 42 2HG2 THR 42 0.882 21.584 -3.511 290 HG23 THR 42 3HG2 THR 42 2.635 21.589 -3.699 291 H ASP 43 H ASP 43 1.713 18.816 0.603 292 HA ASP 43 HA ASP 43 4.451 19.889 0.765 293 HB2 ASP 43 1HB ASP 43 2.142 20.512 2.618 294 HB3 ASP 43 2HB ASP 43 3.807 21.029 2.866 295 H LEU 44 H LEU 44 4.893 17.521 0.736 296 HA LEU 44 HA LEU 44 4.156 15.579 2.422 297 HB2 LEU 44 1HB LEU 44 6.829 16.364 1.379 298 HB3 LEU 44 2HB LEU 44 6.745 15.080 2.584 299 HG LEU 44 HG LEU 44 4.974 14.076 0.917 300 HD11 LEU 44 1HD1 LEU 44 4.730 15.583 -0.778 301 HD12 LEU 44 2HD1 LEU 44 6.034 14.598 -1.438 302 HD13 LEU 44 3HD1 LEU 44 6.399 16.143 -0.673 303 HD21 LEU 44 1HD2 LEU 44 7.458 13.538 -0.349 304 HD22 LEU 44 2HD2 LEU 44 6.576 12.547 0.813 305 HD23 LEU 44 3HD2 LEU 44 7.752 13.735 1.379 306 H SER 45 H SER 45 6.955 17.597 3.319 307 HA SER 45 HA SER 45 7.244 16.905 5.919 308 HB2 SER 45 1HB SER 45 7.509 19.641 4.665 309 HB3 SER 45 2HB SER 45 8.007 19.297 6.321 310 HG SER 45 HG SER 45 9.269 17.517 5.263 311 H SER 46 H SER 46 5.332 19.767 4.976 312 HA SER 46 HA SER 46 4.182 20.346 7.387 313 HB2 SER 46 1HB SER 46 2.799 20.512 4.699 314 HB3 SER 46 2HB SER 46 2.359 21.415 6.149 315 HG SER 46 HG SER 46 3.721 22.841 5.436 316 H LEU 47 H LEU 47 3.398 17.734 5.222 317 HA LEU 47 HA LEU 47 1.041 17.015 6.795 318 HB2 LEU 47 1HB LEU 47 2.154 15.693 4.327 319 HB3 LEU 47 2HB LEU 47 0.585 15.389 5.069 320 HG LEU 47 HG LEU 47 1.359 18.048 3.884 321 HD11 LEU 47 1HD1 LEU 47 1.274 15.906 2.342 322 HD12 LEU 47 2HD1 LEU 47 0.577 17.442 1.829 323 HD13 LEU 47 3HD1 LEU 47 -0.465 16.173 2.474 324 HD21 LEU 47 1HD2 LEU 47 -0.595 18.736 4.673 325 HD22 LEU 47 2HD2 LEU 47 -0.808 17.177 5.470 326 HD23 LEU 47 3HD2 LEU 47 -1.425 17.425 3.836 327 H THR 48 H THR 48 0.780 14.834 7.591 328 HA THR 48 HA THR 48 3.349 13.571 8.293 329 HB THR 48 HB THR 48 0.879 13.311 9.986 330 HG1 THR 48 1HG THR 48 1.334 15.544 9.834 331 HG21 THR 48 1HG2 THR 48 2.681 11.748 10.431 332 HG22 THR 48 2HG2 THR 48 2.559 12.906 11.755 333 HG23 THR 48 3HG2 THR 48 3.836 13.074 10.551 334 H ALA 49 H ALA 49 3.337 11.264 8.567 335 HA ALA 49 HA ALA 49 1.114 9.899 7.198 336 HB1 ALA 49 1HB ALA 49 4.026 9.794 6.612 337 HB2 ALA 49 2HB ALA 49 3.080 8.317 6.424 338 HB3 ALA 49 3HB ALA 49 2.648 9.764 5.513 339 H SER 50 H SER 50 0.225 8.379 8.419 340 HA SER 50 HA SER 50 1.895 6.763 10.184 341 HB2 SER 50 1HB SER 50 0.770 8.860 11.352 342 HB3 SER 50 2HB SER 50 -0.647 7.810 11.358 343 HG SER 50 HG SER 50 1.078 7.780 13.171 344 H ILE 51 H ILE 51 1.136 4.706 10.508 345 HA ILE 51 HA ILE 51 -1.532 4.018 9.535 346 HB ILE 51 HB ILE 51 0.996 2.717 8.516 347 HG12 ILE 51 1HG1 ILE 51 -1.219 4.212 7.094 348 HG13 ILE 51 2HG1 ILE 51 0.410 4.813 7.382 349 HG21 ILE 51 1HG2 ILE 51 -1.414 1.800 7.253 350 HG22 ILE 51 2HG2 ILE 51 -0.151 0.872 8.060 351 HG23 ILE 51 3HG2 ILE 51 -1.496 1.528 8.993 352 HD11 ILE 51 1HD1 ILE 51 -0.397 3.630 5.101 353 HD12 ILE 51 2HD1 ILE 51 1.274 3.655 5.670 354 HD13 ILE 51 3HD1 ILE 51 0.260 2.245 5.972 355 H LYS 52 H LYS 52 -2.504 2.617 10.846 356 HA LYS 52 HA LYS 52 -0.838 0.897 12.560 357 HB2 LYS 52 1HB LYS 52 -1.692 2.758 13.896 358 HB3 LYS 52 2HB LYS 52 -3.333 2.399 13.375 359 HG2 LYS 52 1HG LYS 52 -3.361 1.365 15.390 360 HG3 LYS 52 2HG LYS 52 -2.749 0.033 14.409 361 HD2 LYS 52 1HD LYS 52 -0.651 0.169 15.288 362 HD3 LYS 52 2HD LYS 52 -0.757 1.912 15.548 363 HE2 LYS 52 1HE LYS 52 -2.525 0.150 17.159 364 HE3 LYS 52 2HE LYS 52 -0.808 0.176 17.555 365 HZ1 LYS 52 1HZ LYS 52 -2.598 2.543 17.437 366 HZ2 LYS 52 2HZ LYS 52 -0.945 2.584 17.790 367 HZ3 LYS 52 3HZ LYS 52 -2.016 1.809 18.844 368 H ALA 53 H ALA 53 -1.153 -1.060 11.671 369 HA ALA 53 HA ALA 53 -3.220 -2.040 10.212 370 HB1 ALA 53 1HB ALA 53 -1.773 -3.729 10.255 371 HB2 ALA 53 2HB ALA 53 -1.087 -3.192 11.791 372 HB3 ALA 53 3HB ALA 53 -2.520 -4.221 11.776 373 HA PRO 54 HA PRO 54 -6.800 -2.693 12.663 374 HB2 PRO 54 1HB PRO 54 -7.569 -5.227 12.061 375 HB3 PRO 54 2HB PRO 54 -7.712 -3.883 10.922 376 HG2 PRO 54 1HG PRO 54 -5.605 -6.003 11.095 377 HG3 PRO 54 2HG PRO 54 -6.417 -5.346 9.661 378 HD2 PRO 54 1HD PRO 54 -3.935 -4.569 10.414 379 HD3 PRO 54 2HD PRO 54 -5.072 -3.475 9.602 380 H SER 55 H SER 55 -4.132 -4.846 13.106 381 HA SER 55 HA SER 55 -5.266 -5.959 15.559 382 HB2 SER 55 1HB SER 55 -3.960 -7.308 13.755 383 HB3 SER 55 2HB SER 55 -2.527 -6.609 14.509 384 HG SER 55 HG SER 55 -3.857 -8.719 15.301 385 H GLY 56 H GLY 56 -3.865 -3.173 14.820 386 HA2 GLY 56 1HA GLY 56 -3.027 -1.558 16.268 387 HA3 GLY 56 2HA GLY 56 -2.852 -2.796 17.503 388 H ARG 57 H ARG 57 -1.520 -3.335 14.349 389 HA ARG 57 HA ARG 57 1.169 -3.154 15.509 390 HB2 ARG 57 1HB ARG 57 0.293 -4.506 12.949 391 HB3 ARG 57 2HB ARG 57 1.883 -4.607 13.695 392 HG2 ARG 57 1HG ARG 57 1.009 -5.834 15.551 393 HG3 ARG 57 2HG ARG 57 -0.647 -5.582 14.997 394 HD2 ARG 57 1HD ARG 57 -0.195 -7.739 14.283 395 HD3 ARG 57 2HD ARG 57 0.145 -6.776 12.845 396 HE ARG 57 HE ARG 57 2.386 -7.289 13.053 397 HH11 ARG 57 1HH1 ARG 57 0.643 -8.346 15.877 398 HH12 ARG 57 2HH1 ARG 57 1.962 -9.282 16.500 399 HH21 ARG 57 1HH2 ARG 57 4.128 -8.519 13.864 400 HH22 ARG 57 2HH2 ARG 57 3.944 -9.378 15.355 401 H ASP 58 H ASP 58 2.341 -1.425 15.051 402 HA ASP 58 HA ASP 58 1.577 0.500 13.114 403 HB2 ASP 58 1HB ASP 58 2.749 1.472 14.847 404 HB3 ASP 58 2HB ASP 58 3.896 0.140 14.959 405 H GLU 59 H GLU 59 2.656 1.135 11.204 406 HA GLU 59 HA GLU 59 4.442 -0.892 10.037 407 HB2 GLU 59 1HB GLU 59 2.224 0.517 8.545 408 HB3 GLU 59 2HB GLU 59 3.304 -0.713 7.906 409 HG2 GLU 59 1HG GLU 59 1.254 -1.113 10.072 410 HG3 GLU 59 2HG GLU 59 1.110 -1.631 8.393 411 HA PRO 60 HA PRO 60 7.040 2.539 9.104 412 HB2 PRO 60 1HB PRO 60 8.541 1.404 7.148 413 HB3 PRO 60 2HB PRO 60 8.725 0.997 8.857 414 HG2 PRO 60 1HG PRO 60 7.245 -0.472 6.711 415 HG3 PRO 60 2HG PRO 60 8.301 -1.114 7.983 416 HD2 PRO 60 1HD PRO 60 5.600 -1.180 8.160 417 HD3 PRO 60 2HD PRO 60 6.646 -1.008 9.583 418 H CYS 61 H CYS 61 5.454 3.950 8.221 419 HA CYS 61 HA CYS 61 4.960 3.757 5.345 420 HB2 CYS 61 1HB CYS 61 3.352 5.643 5.782 421 HB3 CYS 61 2HB CYS 61 2.979 4.147 6.628 422 HG CYS 61 HG CYS 61 4.739 6.588 8.214 423 H LEU 62 H LEU 62 5.715 5.198 3.876 424 HA LEU 62 HA LEU 62 7.215 7.525 4.848 425 HB2 LEU 62 1HB LEU 62 8.579 5.368 4.174 426 HB3 LEU 62 2HB LEU 62 8.303 5.984 2.546 427 HG LEU 62 HG LEU 62 10.477 6.677 3.343 428 HD11 LEU 62 1HD1 LEU 62 9.180 9.270 3.610 429 HD12 LEU 62 2HD1 LEU 62 8.573 8.324 2.250 430 HD13 LEU 62 3HD1 LEU 62 10.296 8.680 2.378 431 HD21 LEU 62 1HD2 LEU 62 9.911 6.576 5.763 432 HD22 LEU 62 2HD2 LEU 62 9.049 8.105 5.581 433 HD23 LEU 62 3HD2 LEU 62 10.788 8.033 5.295 434 H LEU 63 H LEU 63 6.385 9.277 3.943 435 HA LEU 63 HA LEU 63 4.743 9.129 1.592 436 HB2 LEU 63 1HB LEU 63 5.514 11.218 3.550 437 HB3 LEU 63 2HB LEU 63 4.981 11.757 1.959 438 HG LEU 63 HG LEU 63 3.320 9.896 3.633 439 HD11 LEU 63 1HD1 LEU 63 3.336 11.609 5.130 440 HD12 LEU 63 2HD1 LEU 63 2.075 12.195 4.047 441 HD13 LEU 63 3HD1 LEU 63 3.716 12.824 3.910 442 HD21 LEU 63 1HD2 LEU 63 1.707 11.566 2.151 443 HD22 LEU 63 2HD2 LEU 63 2.144 9.907 1.738 444 HD23 LEU 63 3HD2 LEU 63 3.070 11.255 1.075 445 H LYS 64 H LYS 64 5.257 9.611 -0.459 446 HA LYS 64 HA LYS 64 7.745 11.031 -1.035 447 HB2 LYS 64 1HB LYS 64 8.526 9.367 -2.597 448 HB3 LYS 64 2HB LYS 64 8.283 8.605 -1.030 449 HG2 LYS 64 1HG LYS 64 6.150 7.696 -1.798 450 HG3 LYS 64 2HG LYS 64 6.393 8.461 -3.371 451 HD2 LYS 64 1HD LYS 64 7.022 6.133 -3.502 452 HD3 LYS 64 2HD LYS 64 8.465 7.139 -3.651 453 HE2 LYS 64 1HE LYS 64 9.115 6.678 -1.411 454 HE3 LYS 64 2HE LYS 64 7.562 5.927 -1.047 455 HZ1 LYS 64 1HZ LYS 64 9.833 4.857 -2.564 456 HZ2 LYS 64 2HZ LYS 64 8.275 4.337 -2.968 457 HZ3 LYS 64 3HZ LYS 64 8.864 4.100 -1.401 458 H ARG 65 H ARG 65 7.863 11.851 -3.212 459 HA ARG 65 HA ARG 65 5.261 12.609 -4.211 460 HB2 ARG 65 1HB ARG 65 6.893 14.345 -4.138 461 HB3 ARG 65 2HB ARG 65 8.073 13.363 -4.993 462 HG2 ARG 65 1HG ARG 65 7.365 14.786 -6.647 463 HG3 ARG 65 2HG ARG 65 6.310 13.394 -6.906 464 HD2 ARG 65 1HD ARG 65 4.477 14.463 -5.889 465 HD3 ARG 65 2HD ARG 65 5.499 15.708 -5.172 466 HE ARG 65 HE ARG 65 5.820 16.002 -7.874 467 HH11 ARG 65 1HH1 ARG 65 3.121 16.019 -5.676 468 HH12 ARG 65 2HH1 ARG 65 2.182 17.117 -6.632 469 HH21 ARG 65 1HH2 ARG 65 4.593 17.447 -9.142 470 HH22 ARG 65 2HH2 ARG 65 3.020 17.928 -8.603 471 H LEU 66 H LEU 66 4.301 11.952 -6.065 472 HA LEU 66 HA LEU 66 5.630 9.780 -7.535 473 HB2 LEU 66 1HB LEU 66 2.737 10.463 -7.099 474 HB3 LEU 66 2HB LEU 66 3.255 9.328 -8.343 475 HG LEU 66 HG LEU 66 3.605 9.027 -5.362 476 HD11 LEU 66 1HD1 LEU 66 1.424 8.477 -6.970 477 HD12 LEU 66 2HD1 LEU 66 1.743 7.810 -5.370 478 HD13 LEU 66 3HD1 LEU 66 2.239 6.923 -6.811 479 HD21 LEU 66 1HD2 LEU 66 5.377 7.774 -5.883 480 HD22 LEU 66 2HD2 LEU 66 4.992 7.791 -7.605 481 HD23 LEU 66 3HD2 LEU 66 4.216 6.618 -6.539 482 HA PRO 67 HA PRO 67 5.855 12.129 -11.237 483 HB2 PRO 67 1HB PRO 67 5.418 10.218 -13.113 484 HB3 PRO 67 2HB PRO 67 6.916 10.324 -12.182 485 HG2 PRO 67 1HG PRO 67 4.547 8.545 -11.761 486 HG3 PRO 67 2HG PRO 67 6.273 8.150 -11.666 487 HD2 PRO 67 1HD PRO 67 4.759 8.599 -9.467 488 HD3 PRO 67 2HD PRO 67 6.484 9.015 -9.541 489 H ASN 68 H ASN 68 4.655 12.712 -13.234 490 HA ASN 68 HA ASN 68 2.783 13.389 -14.336 491 HB2 ASN 68 1HB ASN 68 1.380 11.146 -12.868 492 HB3 ASN 68 2HB ASN 68 0.809 11.971 -14.316 493 HD21 ASN 68 1HD2 ASN 68 1.656 9.129 -13.586 494 HD22 ASN 68 2HD2 ASN 68 2.708 8.677 -14.878 495 H ASN 69 H ASN 69 3.511 14.453 -11.720 496 HA ASN 69 HA ASN 69 2.728 15.914 -10.163 497 HB2 ASN 69 1HB ASN 69 0.508 16.077 -12.202 498 HB3 ASN 69 2HB ASN 69 0.547 17.088 -10.760 499 HD21 ASN 69 1HD2 ASN 69 2.013 16.405 -13.827 500 HD22 ASN 69 2HD2 ASN 69 2.968 17.842 -13.922 501 H HIS 70 H HIS 70 2.436 13.375 -9.370 502 HA HIS 70 HA HIS 70 -0.120 13.437 -7.924 503 HB2 HIS 70 1HB HIS 70 1.106 10.981 -9.197 504 HB3 HIS 70 2HB HIS 70 -0.322 10.989 -8.165 505 HD1 HIS 70 1HD HIS 70 -1.476 13.653 -9.602 506 HD2 HIS 70 2HD HIS 70 -0.354 10.082 -11.407 507 HE1 HIS 70 1HE HIS 70 -2.736 13.574 -11.776 508 HE2 HIS 70 2HE HIS 70 -2.106 11.366 -12.811 509 H ILE 71 H ILE 71 -0.085 11.936 -6.006 510 HA ILE 71 HA ILE 71 2.586 11.466 -4.921 511 HB ILE 71 HB ILE 71 0.502 13.100 -3.466 512 HG12 ILE 71 1HG1 ILE 71 3.275 13.978 -4.245 513 HG13 ILE 71 2HG1 ILE 71 1.903 14.193 -5.327 514 HG21 ILE 71 1HG2 ILE 71 1.726 11.597 -1.977 515 HG22 ILE 71 2HG2 ILE 71 3.253 12.230 -2.590 516 HG23 ILE 71 3HG2 ILE 71 2.163 13.281 -1.687 517 HD11 ILE 71 1HD1 ILE 71 2.643 15.652 -2.900 518 HD12 ILE 71 2HD1 ILE 71 1.727 16.177 -4.314 519 HD13 ILE 71 3HD1 ILE 71 0.930 15.257 -3.037 520 H GLY 72 H GLY 72 2.634 9.997 -3.150 521 HA2 GLY 72 1HA GLY 72 0.183 8.754 -2.257 522 HA3 GLY 72 2HA GLY 72 1.148 7.740 -3.319 523 H ILE 73 H ILE 73 0.749 6.679 -0.962 524 HA ILE 73 HA ILE 73 3.121 7.308 0.664 525 HB ILE 73 HB ILE 73 0.940 7.468 1.836 526 HG12 ILE 73 1HG1 ILE 73 2.460 5.113 2.932 527 HG13 ILE 73 2HG1 ILE 73 3.176 6.721 2.892 528 HG21 ILE 73 1HG2 ILE 73 0.433 5.046 0.481 529 HG22 ILE 73 2HG2 ILE 73 0.429 4.686 2.206 530 HG23 ILE 73 3HG2 ILE 73 -0.639 5.934 1.563 531 HD11 ILE 73 1HD1 ILE 73 0.581 6.924 4.024 532 HD12 ILE 73 2HD1 ILE 73 1.447 5.614 4.825 533 HD13 ILE 73 3HD1 ILE 73 2.146 7.232 4.774 534 H SER 74 H SER 74 4.508 5.670 1.318 535 HA SER 74 HA SER 74 4.122 3.055 0.018 536 HB2 SER 74 1HB SER 74 5.826 4.468 -1.158 537 HB3 SER 74 2HB SER 74 6.779 4.472 0.326 538 HG SER 74 HG SER 74 6.967 2.230 0.157 539 H PHE 75 H PHE 75 3.995 1.485 1.465 540 HA PHE 75 HA PHE 75 5.823 1.409 3.716 541 HB2 PHE 75 1HB PHE 75 4.260 1.447 5.435 542 HB3 PHE 75 2HB PHE 75 3.623 2.667 4.338 543 HD1 PHE 75 1HD PHE 75 1.702 2.111 2.865 544 HD2 PHE 75 2HD PHE 75 3.048 -0.515 5.933 545 HE1 PHE 75 1HE PHE 75 -0.442 0.908 2.771 546 HE2 PHE 75 2HE PHE 75 0.905 -1.722 5.845 547 HZ PHE 75 HZ PHE 75 -0.843 -1.012 4.262 548 H ILE 76 H ILE 76 5.817 -0.670 4.815 549 HA ILE 76 HA ILE 76 5.016 -2.822 2.984 550 HB ILE 76 HB ILE 76 7.021 -2.854 5.243 551 HG12 ILE 76 1HG1 ILE 76 7.717 -3.277 2.369 552 HG13 ILE 76 2HG1 ILE 76 7.430 -1.633 2.929 553 HG21 ILE 76 1HG2 ILE 76 6.742 -5.062 5.218 554 HG22 ILE 76 2HG2 ILE 76 5.701 -4.983 3.797 555 HG23 ILE 76 3HG2 ILE 76 7.453 -5.050 3.605 556 HD11 ILE 76 1HD1 ILE 76 9.335 -3.433 4.366 557 HD12 ILE 76 2HD1 ILE 76 9.827 -2.532 2.932 558 HD13 ILE 76 3HD1 ILE 76 9.254 -1.672 4.360 559 HA PRO 77 HA PRO 77 1.855 -3.449 6.185 560 HB2 PRO 77 1HB PRO 77 0.211 -4.881 4.567 561 HB3 PRO 77 2HB PRO 77 0.259 -3.115 4.566 562 HG2 PRO 77 1HG PRO 77 1.568 -5.045 2.690 563 HG3 PRO 77 2HG PRO 77 0.717 -3.532 2.325 564 HD2 PRO 77 1HD PRO 77 3.418 -3.701 2.404 565 HD3 PRO 77 2HD PRO 77 2.539 -2.230 2.865 566 H ARG 78 H ARG 78 2.176 -4.986 7.655 567 HA ARG 78 HA ARG 78 3.359 -7.524 6.905 568 HB2 ARG 78 1HB ARG 78 2.877 -6.055 9.445 569 HB3 ARG 78 2HB ARG 78 2.977 -7.809 9.534 570 HG2 ARG 78 1HG ARG 78 5.143 -6.969 9.966 571 HG3 ARG 78 2HG ARG 78 5.174 -7.645 8.336 572 HD2 ARG 78 1HD ARG 78 6.225 -5.656 7.947 573 HD3 ARG 78 2HD ARG 78 4.553 -5.168 7.674 574 HE ARG 78 HE ARG 78 4.762 -3.752 9.440 575 HH11 ARG 78 1HH1 ARG 78 7.100 -6.306 9.801 576 HH12 ARG 78 2HH1 ARG 78 7.812 -5.630 11.229 577 HH21 ARG 78 1HH2 ARG 78 5.691 -2.852 11.319 578 HH22 ARG 78 2HH2 ARG 78 7.009 -3.665 12.092 579 H GLU 79 H GLU 79 0.258 -6.253 7.829 580 HA GLU 79 HA GLU 79 -0.858 -8.977 7.695 581 HB2 GLU 79 1HB GLU 79 -0.919 -7.580 9.938 582 HB3 GLU 79 2HB GLU 79 -2.290 -6.804 9.158 583 HG2 GLU 79 1HG GLU 79 -3.499 -8.825 9.044 584 HG3 GLU 79 2HG GLU 79 -2.077 -9.782 9.457 585 H VAL 80 H VAL 80 -3.271 -8.910 7.141 586 HA VAL 80 HA VAL 80 -3.704 -6.925 5.004 587 HB VAL 80 HB VAL 80 -5.036 -8.632 3.823 588 HG11 VAL 80 1HG1 VAL 80 -3.224 -9.722 2.851 589 HG12 VAL 80 2HG1 VAL 80 -2.499 -8.273 3.549 590 HG13 VAL 80 3HG1 VAL 80 -2.342 -9.823 4.374 591 HG21 VAL 80 1HG2 VAL 80 -4.051 -10.983 5.098 592 HG22 VAL 80 2HG2 VAL 80 -4.865 -9.985 6.303 593 HG23 VAL 80 3HG2 VAL 80 -5.723 -10.481 4.845 594 H GLY 81 H GLY 81 -5.720 -5.999 4.800 595 HA2 GLY 81 1HA GLY 81 -8.161 -6.624 5.636 596 HA3 GLY 81 2HA GLY 81 -7.412 -6.199 7.168 597 H GLU 82 H GLU 82 -8.631 -4.393 7.583 598 HA GLU 82 HA GLU 82 -8.602 -2.242 5.591 599 HB2 GLU 82 1HB GLU 82 -10.792 -2.863 6.502 600 HB3 GLU 82 2HB GLU 82 -10.217 -2.533 8.130 601 HG2 GLU 82 1HG GLU 82 -9.877 -0.177 7.504 602 HG3 GLU 82 2HG GLU 82 -10.541 -0.529 5.908 603 H HIS 83 H HIS 83 -6.673 -1.221 5.792 604 HA HIS 83 HA HIS 83 -5.681 -0.510 8.439 605 HB2 HIS 83 1HB HIS 83 -4.518 -0.384 5.667 606 HB3 HIS 83 2HB HIS 83 -3.763 0.473 7.009 607 HD1 HIS 83 1HD HIS 83 -5.057 -3.082 6.514 608 HD2 HIS 83 2HD HIS 83 -1.783 -1.030 8.040 609 HE1 HIS 83 1HE HIS 83 -3.483 -4.856 7.351 610 HE2 HIS 83 2HE HIS 83 -1.547 -3.588 8.347 611 H LEU 84 H LEU 84 -5.429 1.578 9.178 612 HA LEU 84 HA LEU 84 -6.832 3.649 7.621 613 HB2 LEU 84 1HB LEU 84 -6.694 3.097 10.560 614 HB3 LEU 84 2HB LEU 84 -7.054 4.718 9.971 615 HG LEU 84 HG LEU 84 -8.675 2.264 9.302 616 HD11 LEU 84 1HD1 LEU 84 -9.396 4.454 11.233 617 HD12 LEU 84 2HD1 LEU 84 -8.681 2.922 11.732 618 HD13 LEU 84 3HD1 LEU 84 -10.252 2.942 10.931 619 HD21 LEU 84 1HD2 LEU 84 -10.355 4.060 8.689 620 HD22 LEU 84 2HD2 LEU 84 -8.977 3.873 7.604 621 HD23 LEU 84 3HD2 LEU 84 -9.013 5.203 8.763 622 H VAL 85 H VAL 85 -5.479 5.069 6.759 623 HA VAL 85 HA VAL 85 -2.878 5.548 7.994 624 HB VAL 85 HB VAL 85 -3.906 6.689 5.398 625 HG11 VAL 85 1HG1 VAL 85 -1.063 6.179 6.229 626 HG12 VAL 85 2HG1 VAL 85 -1.654 7.173 4.897 627 HG13 VAL 85 3HG1 VAL 85 -1.890 7.700 6.564 628 HG21 VAL 85 1HG2 VAL 85 -3.113 3.974 6.055 629 HG22 VAL 85 2HG2 VAL 85 -3.881 4.605 4.598 630 HG23 VAL 85 3HG2 VAL 85 -2.127 4.671 4.769 631 H SER 86 H SER 86 -2.764 7.086 9.485 632 HA SER 86 HA SER 86 -4.674 9.248 9.575 633 HB2 SER 86 1HB SER 86 -2.227 9.037 11.318 634 HB3 SER 86 2HB SER 86 -3.791 9.759 11.695 635 HG SER 86 HG SER 86 -4.396 7.892 12.414 636 H ILE 87 H ILE 87 -4.443 10.908 8.232 637 HA ILE 87 HA ILE 87 -1.736 12.003 7.822 638 HB ILE 87 HB ILE 87 -3.996 12.259 5.846 639 HG12 ILE 87 1HG1 ILE 87 -3.056 9.855 6.379 640 HG13 ILE 87 2HG1 ILE 87 -3.323 10.361 4.714 641 HG21 ILE 87 1HG2 ILE 87 -1.779 12.531 4.401 642 HG22 ILE 87 2HG2 ILE 87 -2.539 13.887 5.232 643 HG23 ILE 87 3HG2 ILE 87 -1.151 13.076 5.956 644 HD11 ILE 87 1HD1 ILE 87 -0.661 10.973 5.770 645 HD12 ILE 87 2HD1 ILE 87 -1.040 9.255 5.637 646 HD13 ILE 87 3HD1 ILE 87 -1.145 10.293 4.216 647 H LYS 88 H LYS 88 -1.499 13.881 8.819 648 HA LYS 88 HA LYS 88 -3.716 15.808 8.753 649 HB2 LYS 88 1HB LYS 88 -1.979 15.701 11.178 650 HB3 LYS 88 2HB LYS 88 -3.640 16.257 11.015 651 HG2 LYS 88 1HG LYS 88 -4.493 14.076 11.056 652 HG3 LYS 88 2HG LYS 88 -2.910 13.360 10.739 653 HD2 LYS 88 1HD LYS 88 -2.171 14.286 12.963 654 HD3 LYS 88 2HD LYS 88 -3.860 14.699 13.267 655 HE2 LYS 88 1HE LYS 88 -4.429 12.294 12.884 656 HE3 LYS 88 2HE LYS 88 -2.700 11.955 12.808 657 HZ1 LYS 88 1HZ LYS 88 -4.365 12.346 15.088 658 HZ2 LYS 88 2HZ LYS 88 -3.033 13.388 15.117 659 HZ3 LYS 88 3HZ LYS 88 -2.797 11.718 15.000 660 H LYS 89 H LYS 89 -2.877 18.040 9.499 661 HA LYS 89 HA LYS 89 -0.149 18.470 8.477 662 HB2 LYS 89 1HB LYS 89 -1.742 19.097 6.733 663 HB3 LYS 89 2HB LYS 89 -2.596 20.138 7.863 664 HG2 LYS 89 1HG LYS 89 -0.536 21.503 8.079 665 HG3 LYS 89 2HG LYS 89 0.205 20.507 6.825 666 HD2 LYS 89 1HD LYS 89 -2.407 21.925 6.386 667 HD3 LYS 89 2HD LYS 89 -0.856 22.723 6.108 668 HE2 LYS 89 1HE LYS 89 -0.291 20.716 4.632 669 HE3 LYS 89 2HE LYS 89 -2.008 20.323 4.712 670 HZ1 LYS 89 1HZ LYS 89 -2.577 22.146 3.484 671 HZ2 LYS 89 2HZ LYS 89 -1.068 21.804 2.801 672 HZ3 LYS 89 3HZ LYS 89 -1.217 23.042 3.944 673 H ASN 90 H ASN 90 1.001 19.131 10.172 674 HA ASN 90 HA ASN 90 1.689 20.323 11.982 675 HB2 ASN 90 1HB ASN 90 -0.483 22.326 11.393 676 HB3 ASN 90 2HB ASN 90 1.100 22.606 12.115 677 HD21 ASN 90 1HD2 ASN 90 2.253 20.729 10.053 678 HD22 ASN 90 2HD2 ASN 90 2.394 21.699 8.631 679 H GLY 91 H GLY 91 -0.520 18.357 12.185 680 HA2 GLY 91 1HA GLY 91 -1.445 17.508 14.183 681 HA3 GLY 91 2HA GLY 91 -1.384 19.123 14.871 682 H ASN 92 H ASN 92 -2.656 18.943 11.707 683 HA ASN 92 HA ASN 92 -5.408 18.904 12.743 684 HB2 ASN 92 1HB ASN 92 -4.093 20.964 10.999 685 HB3 ASN 92 2HB ASN 92 -5.825 20.672 10.868 686 HD21 ASN 92 1HD2 ASN 92 -3.378 22.259 12.555 687 HD22 ASN 92 2HD2 ASN 92 -4.334 22.885 13.850 688 H HIS 93 H HIS 93 -6.128 17.018 11.940 689 HA HIS 93 HA HIS 93 -5.396 15.528 9.841 690 HB2 HIS 93 1HB HIS 93 -8.085 16.070 11.018 691 HB3 HIS 93 2HB HIS 93 -7.999 15.114 9.542 692 HD1 HIS 93 1HD HIS 93 -6.996 12.752 9.715 693 HD2 HIS 93 2HD HIS 93 -7.051 14.824 13.315 694 HE1 HIS 93 1HE HIS 93 -6.486 11.040 11.484 695 HE2 HIS 93 2HE HIS 93 -6.609 12.299 13.661 696 H VAL 94 H VAL 94 -5.695 15.411 7.639 697 HA VAL 94 HA VAL 94 -6.544 17.916 6.359 698 HB VAL 94 HB VAL 94 -5.229 17.274 4.444 699 HG11 VAL 94 1HG1 VAL 94 -3.302 16.566 6.565 700 HG12 VAL 94 2HG1 VAL 94 -3.230 17.835 5.339 701 HG13 VAL 94 3HG1 VAL 94 -4.199 18.067 6.795 702 HG21 VAL 94 1HG2 VAL 94 -4.172 15.217 4.147 703 HG22 VAL 94 2HG2 VAL 94 -4.317 14.789 5.851 704 HG23 VAL 94 3HG2 VAL 94 -5.744 14.780 4.816 705 H ALA 95 H ALA 95 -7.156 17.285 3.882 706 HA ALA 95 HA ALA 95 -9.711 16.046 4.092 707 HB1 ALA 95 1HB ALA 95 -9.994 16.582 1.787 708 HB2 ALA 95 2HB ALA 95 -9.139 17.928 2.544 709 HB3 ALA 95 3HB ALA 95 -8.255 16.765 1.556 710 H ASN 96 H ASN 96 -10.456 14.128 3.174 711 HA ASN 96 HA ASN 96 -10.386 11.934 2.580 712 HB2 ASN 96 1HB ASN 96 -7.791 12.735 1.243 713 HB3 ASN 96 2HB ASN 96 -8.660 11.230 0.961 714 HD21 ASN 96 1HD2 ASN 96 -7.955 13.349 -0.902 715 HD22 ASN 96 2HD2 ASN 96 -9.442 13.895 -1.594 716 H SER 97 H SER 97 -9.186 12.846 5.088 717 HA SER 97 HA SER 97 -7.464 10.513 5.584 718 HB2 SER 97 1HB SER 97 -5.994 12.441 5.521 719 HB3 SER 97 2HB SER 97 -7.042 13.321 6.633 720 HG SER 97 HG SER 97 -6.569 11.668 8.191 721 HA PRO 98 HA PRO 98 -6.464 9.614 7.354 722 HB2 PRO 98 1HB PRO 98 -7.133 7.139 8.246 723 HB3 PRO 98 2HB PRO 98 -6.609 8.439 9.323 724 HG2 PRO 98 1HG PRO 98 -9.381 7.491 8.706 725 HG3 PRO 98 2HG PRO 98 -8.673 7.936 10.269 726 HD2 PRO 98 1HD PRO 98 -10.273 9.609 8.867 727 HD3 PRO 98 2HD PRO 98 -8.949 10.192 9.895 728 H VAL 99 H VAL 99 -5.791 8.220 5.725 729 HA VAL 99 HA VAL 99 -7.726 7.728 3.643 730 HB VAL 99 HB VAL 99 -4.832 6.881 3.637 731 HG11 VAL 99 1HG1 VAL 99 -6.280 7.817 1.224 732 HG12 VAL 99 2HG1 VAL 99 -5.049 6.564 1.394 733 HG13 VAL 99 3HG1 VAL 99 -6.716 6.236 1.870 734 HG21 VAL 99 1HG2 VAL 99 -5.652 9.462 4.037 735 HG22 VAL 99 2HG2 VAL 99 -4.114 8.980 3.322 736 HG23 VAL 99 3HG2 VAL 99 -5.480 9.388 2.282 737 H SER 100 H SER 100 -8.913 5.953 3.520 738 HA SER 100 HA SER 100 -8.240 3.605 5.061 739 HB2 SER 100 1HB SER 100 -10.411 2.826 4.564 740 HB3 SER 100 2HB SER 100 -10.597 4.573 4.705 741 HG SER 100 HG SER 100 -11.184 4.637 2.695 742 H ILE 101 H ILE 101 -7.141 1.909 4.345 743 HA ILE 101 HA ILE 101 -7.005 1.438 1.440 744 HB ILE 101 HB ILE 101 -4.738 1.099 3.407 745 HG12 ILE 101 1HG1 ILE 101 -5.023 3.033 1.099 746 HG13 ILE 101 2HG1 ILE 101 -5.262 3.459 2.789 747 HG21 ILE 101 1HG2 ILE 101 -4.468 0.866 0.441 748 HG22 ILE 101 2HG2 ILE 101 -3.448 0.203 1.717 749 HG23 ILE 101 3HG2 ILE 101 -5.025 -0.515 1.386 750 HD11 ILE 101 1HD1 ILE 101 -3.022 3.309 3.280 751 HD12 ILE 101 2HD1 ILE 101 -2.688 2.231 1.925 752 HD13 ILE 101 3HD1 ILE 101 -2.995 3.943 1.634 753 H MET 102 H MET 102 -7.197 -0.643 0.759 754 HA MET 102 HA MET 102 -7.794 -2.636 2.834 755 HB2 MET 102 1HB MET 102 -9.636 -2.235 1.312 756 HB3 MET 102 2HB MET 102 -8.594 -2.513 -0.078 757 HG2 MET 102 1HG MET 102 -9.656 -4.522 0.049 758 HG3 MET 102 2HG MET 102 -8.239 -4.850 1.044 759 HE1 MET 102 1HE MET 102 -8.670 -5.743 3.827 760 HE2 MET 102 2HE MET 102 -10.039 -6.795 3.472 761 HE3 MET 102 3HE MET 102 -8.759 -6.579 2.276 762 H VAL 103 H VAL 103 -6.262 -4.075 3.241 763 HA VAL 103 HA VAL 103 -4.308 -4.707 1.136 764 HB VAL 103 HB VAL 103 -4.091 -5.159 4.116 765 HG11 VAL 103 1HG1 VAL 103 -2.839 -6.665 2.385 766 HG12 VAL 103 2HG1 VAL 103 -1.790 -5.256 2.219 767 HG13 VAL 103 3HG1 VAL 103 -1.987 -6.030 3.792 768 HG21 VAL 103 1HG2 VAL 103 -2.424 -3.341 4.033 769 HG22 VAL 103 2HG2 VAL 103 -2.839 -3.063 2.342 770 HG23 VAL 103 3HG2 VAL 103 -4.044 -2.794 3.602 771 H VAL 104 H VAL 104 -4.066 -6.739 0.383 772 HA VAL 104 HA VAL 104 -5.474 -8.926 1.747 773 HB VAL 104 HB VAL 104 -6.326 -9.792 -0.367 774 HG11 VAL 104 1HG1 VAL 104 -8.202 -8.608 -0.133 775 HG12 VAL 104 2HG1 VAL 104 -7.316 -7.633 1.041 776 HG13 VAL 104 3HG1 VAL 104 -7.416 -7.115 -0.643 777 HG21 VAL 104 1HG2 VAL 104 -5.172 -9.177 -2.191 778 HG22 VAL 104 2HG2 VAL 104 -6.240 -7.773 -2.200 779 HG23 VAL 104 3HG2 VAL 104 -4.642 -7.660 -1.463 780 H GLN 105 H GLN 105 -4.763 -11.074 1.030 781 HA GLN 105 HA GLN 105 -1.889 -11.076 0.577 782 HB2 GLN 105 1HB GLN 105 -3.842 -13.228 1.386 783 HB3 GLN 105 2HB GLN 105 -2.146 -13.554 1.053 784 HG2 GLN 105 1HG GLN 105 -1.624 -11.797 2.814 785 HG3 GLN 105 2HG GLN 105 -3.326 -11.905 3.261 786 HE21 GLN 105 1HE2 GLN 105 -1.039 -12.550 4.872 787 HE22 GLN 105 2HE2 GLN 105 -1.173 -14.221 5.292 788 H SER 106 H SER 106 -1.072 -11.295 -1.388 789 HA SER 106 HA SER 106 -2.334 -11.550 -3.751 790 HB2 SER 106 1HB SER 106 0.112 -11.174 -3.473 791 HB3 SER 106 2HB SER 106 0.309 -12.894 -3.140 792 HG SER 106 HG SER 106 -0.936 -12.990 -5.315 793 H GLU 107 H GLU 107 -3.662 -12.982 -4.624 794 HA GLU 107 HA GLU 107 -4.201 -15.501 -3.480 795 HB2 GLU 107 1HB GLU 107 -5.795 -14.150 -4.862 796 HB3 GLU 107 2HB GLU 107 -4.866 -14.598 -6.285 797 HG2 GLU 107 1HG GLU 107 -5.312 -17.017 -5.581 798 HG3 GLU 107 2HG GLU 107 -6.542 -16.338 -4.518 799 H ILE 108 H ILE 108 -2.715 -17.066 -3.427 800 HA ILE 108 HA ILE 108 -0.883 -18.326 -4.074 801 HB ILE 108 HB ILE 108 -2.559 -18.852 -6.514 802 HG12 ILE 108 1HG1 ILE 108 -3.021 -20.058 -3.782 803 HG13 ILE 108 2HG1 ILE 108 -3.973 -18.724 -4.425 804 HG21 ILE 108 1HG2 ILE 108 -0.343 -19.957 -6.245 805 HG22 ILE 108 2HG2 ILE 108 -0.957 -20.721 -4.779 806 HG23 ILE 108 3HG2 ILE 108 -1.699 -21.080 -6.338 807 HD11 ILE 108 1HD1 ILE 108 -5.298 -20.500 -4.963 808 HD12 ILE 108 2HD1 ILE 108 -4.332 -20.367 -6.432 809 HD13 ILE 108 3HD1 ILE 108 -3.931 -21.585 -5.222 810 H GLY 109 H GLY 109 -0.279 -15.733 -4.732 811 HA2 GLY 109 1HA GLY 109 1.449 -14.746 -5.935 812 HA3 GLY 109 2HA GLY 109 1.480 -16.150 -6.991 813 H ASP 110 H ASP 110 1.719 -14.576 -8.717 814 HA ASP 110 HA ASP 110 -0.805 -13.230 -9.412 815 HB2 ASP 110 1HB ASP 110 1.892 -12.661 -10.637 816 HB3 ASP 110 2HB ASP 110 0.440 -11.666 -10.699 817 H SER 111 H SER 111 -1.649 -13.431 -11.501 818 HA SER 111 HA SER 111 -1.811 -15.857 -12.659 819 HB2 SER 111 1HB SER 111 -2.398 -14.698 -14.801 820 HB3 SER 111 2HB SER 111 -3.235 -14.047 -13.391 821 HG SER 111 HG SER 111 -1.136 -12.613 -13.478 822 H GLY 112 H GLY 112 -0.636 -17.168 -13.939 823 HA2 GLY 112 1HA GLY 112 1.009 -17.781 -15.480 824 HA3 GLY 112 2HA GLY 112 1.625 -16.135 -15.443 825 HA PRO 113 HA PRO 113 3.922 -19.210 -12.507 826 HB2 PRO 113 1HB PRO 113 5.668 -20.421 -14.195 827 HB3 PRO 113 2HB PRO 113 4.085 -21.101 -13.802 828 HG2 PRO 113 1HG PRO 113 4.930 -19.536 -16.210 829 HG3 PRO 113 2HG PRO 113 3.913 -20.986 -16.118 830 HD2 PRO 113 1HD PRO 113 2.881 -18.499 -16.406 831 HD3 PRO 113 2HD PRO 113 2.038 -19.787 -15.521 832 H SER 114 H SER 114 5.309 -17.742 -15.446 833 HA SER 114 HA SER 114 6.935 -15.973 -13.835 834 HB2 SER 114 1HB SER 114 8.184 -18.229 -14.162 835 HB3 SER 114 2HB SER 114 8.413 -17.681 -15.821 836 HG SER 114 HG SER 114 10.133 -17.098 -14.359 837 H SER 115 H SER 115 8.116 -14.392 -15.173 838 HA SER 115 HA SER 115 6.605 -13.826 -17.624 839 HB2 SER 115 1HB SER 115 6.691 -12.152 -15.695 840 HB3 SER 115 2HB SER 115 8.378 -11.887 -16.139 841 HG SER 115 HG SER 115 6.063 -11.410 -17.698 842 H GLY 116 H GLY 116 7.763 -15.110 -19.072 843 HA2 GLY 116 1HA GLY 116 9.436 -15.617 -20.560 844 HA3 GLY 116 2HA GLY 116 9.901 -13.930 -20.402 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -0.895 -20.222 14.985 2 HA2 GLY 1 1HA GLY 1 0.646 -19.343 13.444 3 HA3 GLY 1 2HA GLY 1 -0.224 -17.817 13.478 4 H SER 2 H SER 2 1.436 -19.857 15.890 5 HA SER 2 HA SER 2 2.286 -17.684 17.468 6 HB2 SER 2 1HB SER 2 3.805 -19.339 18.538 7 HB3 SER 2 2HB SER 2 2.148 -19.926 18.397 8 HG SER 2 HG SER 2 2.984 -21.555 17.385 9 H SER 3 H SER 3 3.958 -19.589 14.985 10 HA SER 3 HA SER 3 6.380 -18.061 15.203 11 HB2 SER 3 1HB SER 3 5.406 -20.303 13.494 12 HB3 SER 3 2HB SER 3 6.755 -19.338 12.895 13 HG SER 3 HG SER 3 7.744 -19.759 15.002 14 H GLY 4 H GLY 4 7.324 -16.893 13.349 15 HA2 GLY 4 1HA GLY 4 5.443 -14.965 12.345 16 HA3 GLY 4 2HA GLY 4 7.175 -14.981 12.057 17 H SER 5 H SER 5 6.147 -14.247 9.910 18 HA SER 5 HA SER 5 5.445 -16.586 8.271 19 HB2 SER 5 1HB SER 5 4.619 -14.899 6.619 20 HB3 SER 5 2HB SER 5 3.772 -14.841 8.165 21 HG SER 5 HG SER 5 5.498 -12.996 7.005 22 H SER 6 H SER 6 6.275 -16.542 6.007 23 HA SER 6 HA SER 6 8.643 -15.047 5.423 24 HB2 SER 6 1HB SER 6 8.858 -17.869 6.405 25 HB3 SER 6 2HB SER 6 9.983 -17.297 5.172 26 HG SER 6 HG SER 6 9.581 -15.678 7.407 27 H GLY 7 H GLY 7 9.209 -15.154 3.265 28 HA2 GLY 7 1HA GLY 7 7.945 -17.162 1.569 29 HA3 GLY 7 2HA GLY 7 7.461 -15.494 1.299 30 H ILE 8 H ILE 8 8.796 -17.282 -0.545 31 HA ILE 8 HA ILE 8 11.493 -17.030 -0.842 32 HB ILE 8 HB ILE 8 11.179 -17.148 -3.267 33 HG12 ILE 8 1HG1 ILE 8 8.214 -16.897 -2.764 34 HG13 ILE 8 2HG1 ILE 8 9.212 -15.529 -3.244 35 HG21 ILE 8 1HG2 ILE 8 9.871 -18.908 -1.344 36 HG22 ILE 8 2HG2 ILE 8 9.229 -19.055 -2.979 37 HG23 ILE 8 3HG2 ILE 8 10.951 -19.294 -2.683 38 HD11 ILE 8 1HD1 ILE 8 7.892 -17.132 -4.959 39 HD12 ILE 8 2HD1 ILE 8 9.337 -16.212 -5.374 40 HD13 ILE 8 3HD1 ILE 8 9.472 -17.913 -4.932 41 HA PRO 9 HA PRO 9 12.478 -12.776 -1.357 42 HB2 PRO 9 1HB PRO 9 14.698 -12.983 -2.905 43 HB3 PRO 9 2HB PRO 9 14.680 -13.407 -1.188 44 HG2 PRO 9 1HG PRO 9 14.489 -15.194 -3.583 45 HG3 PRO 9 2HG PRO 9 15.426 -15.415 -2.094 46 HD2 PRO 9 1HD PRO 9 13.061 -16.662 -2.525 47 HD3 PRO 9 2HD PRO 9 13.599 -16.169 -0.907 48 H GLY 10 H GLY 10 13.172 -11.201 -3.184 49 HA2 GLY 10 1HA GLY 10 12.075 -11.909 -5.792 50 HA3 GLY 10 2HA GLY 10 11.242 -10.636 -4.912 51 H SER 11 H SER 11 11.707 -8.880 -6.120 52 HA SER 11 HA SER 11 14.556 -8.190 -6.401 53 HB2 SER 11 1HB SER 11 13.154 -8.854 -8.549 54 HB3 SER 11 2HB SER 11 12.581 -7.192 -8.412 55 HG SER 11 HG SER 11 14.494 -6.477 -8.976 56 HA PRO 12 HA PRO 12 13.518 -4.479 -4.275 57 HB2 PRO 12 1HB PRO 12 15.579 -2.918 -5.104 58 HB3 PRO 12 2HB PRO 12 15.775 -4.225 -3.931 59 HG2 PRO 12 1HG PRO 12 16.356 -4.213 -6.867 60 HG3 PRO 12 2HG PRO 12 17.317 -4.890 -5.539 61 HD2 PRO 12 1HD PRO 12 15.739 -6.419 -7.122 62 HD3 PRO 12 2HD PRO 12 16.029 -6.798 -5.412 63 H PHE 13 H PHE 13 13.794 -4.632 -7.720 64 HA PHE 13 HA PHE 13 12.441 -2.029 -7.973 65 HB2 PHE 13 1HB PHE 13 13.155 -2.322 -10.449 66 HB3 PHE 13 2HB PHE 13 14.379 -1.868 -9.267 67 HD1 PHE 13 1HD PHE 13 13.109 -4.564 -11.398 68 HD2 PHE 13 2HD PHE 13 16.149 -3.372 -8.669 69 HE1 PHE 13 1HE PHE 13 14.464 -6.505 -12.066 70 HE2 PHE 13 2HE PHE 13 17.511 -5.311 -9.334 71 HZ PHE 13 HZ PHE 13 16.669 -6.880 -11.034 72 H THR 14 H THR 14 10.307 -2.405 -7.939 73 HA THR 14 HA THR 14 9.234 -4.289 -9.921 74 HB THR 14 HB THR 14 8.208 -4.028 -7.088 75 HG1 THR 14 1HG THR 14 9.039 -6.083 -6.813 76 HG21 THR 14 1HG2 THR 14 6.413 -4.412 -8.706 77 HG22 THR 14 2HG2 THR 14 6.679 -5.841 -7.708 78 HG23 THR 14 3HG2 THR 14 7.292 -5.793 -9.360 79 H ALA 15 H ALA 15 8.251 -2.988 -11.335 80 HA ALA 15 HA ALA 15 7.150 -0.455 -10.678 81 HB1 ALA 15 1HB ALA 15 7.779 -0.513 -12.874 82 HB2 ALA 15 2HB ALA 15 7.222 -2.172 -13.105 83 HB3 ALA 15 3HB ALA 15 6.056 -0.851 -13.044 84 H LYS 16 H LYS 16 4.920 0.194 -10.868 85 HA LYS 16 HA LYS 16 3.117 -1.828 -9.768 86 HB2 LYS 16 1HB LYS 16 1.673 0.086 -9.188 87 HB3 LYS 16 2HB LYS 16 3.292 0.250 -8.520 88 HG2 LYS 16 1HG LYS 16 3.839 1.714 -10.490 89 HG3 LYS 16 2HG LYS 16 2.118 1.694 -10.879 90 HD2 LYS 16 1HD LYS 16 2.999 2.435 -8.122 91 HD3 LYS 16 2HD LYS 16 3.118 3.622 -9.423 92 HE2 LYS 16 1HE LYS 16 0.711 3.237 -9.911 93 HE3 LYS 16 2HE LYS 16 0.634 2.183 -8.500 94 HZ1 LYS 16 1HZ LYS 16 1.649 4.304 -7.354 95 HZ2 LYS 16 2HZ LYS 16 -0.020 4.131 -7.568 96 HZ3 LYS 16 3HZ LYS 16 0.873 5.094 -8.634 97 H ILE 17 H ILE 17 0.816 -1.759 -10.491 98 HA ILE 17 HA ILE 17 0.671 -1.315 -13.402 99 HB ILE 17 HB ILE 17 -0.772 -3.405 -11.767 100 HG12 ILE 17 1HG1 ILE 17 1.182 -3.945 -13.981 101 HG13 ILE 17 2HG1 ILE 17 1.760 -3.635 -12.348 102 HG21 ILE 17 1HG2 ILE 17 -0.763 -3.204 -14.759 103 HG22 ILE 17 2HG2 ILE 17 -1.847 -4.119 -13.713 104 HG23 ILE 17 3HG2 ILE 17 -1.965 -2.361 -13.782 105 HD11 ILE 17 1HD1 ILE 17 1.092 -6.074 -13.352 106 HD12 ILE 17 2HD1 ILE 17 1.169 -5.664 -11.638 107 HD13 ILE 17 3HD1 ILE 17 -0.376 -5.618 -12.486 108 H THR 18 H THR 18 -0.826 0.056 -14.112 109 HA THR 18 HA THR 18 -2.334 1.700 -12.490 110 HB THR 18 HB THR 18 -1.889 2.214 -14.845 111 HG1 THR 18 1HG THR 18 -4.219 2.765 -15.346 112 HG21 THR 18 1HG2 THR 18 -3.504 -0.241 -15.259 113 HG22 THR 18 2HG2 THR 18 -2.129 0.379 -16.174 114 HG23 THR 18 3HG2 THR 18 -3.731 1.076 -16.409 115 H ASP 19 H ASP 19 -4.492 1.780 -11.863 116 HA ASP 19 HA ASP 19 -6.344 -0.305 -12.510 117 HB2 ASP 19 1HB ASP 19 -6.565 -1.304 -10.328 118 HB3 ASP 19 2HB ASP 19 -4.878 -1.423 -10.822 119 H ASP 20 H ASP 20 -8.415 -0.041 -11.280 120 HA ASP 20 HA ASP 20 -8.889 2.819 -10.832 121 HB2 ASP 20 1HB ASP 20 -10.648 0.533 -11.671 122 HB3 ASP 20 2HB ASP 20 -11.354 1.999 -10.995 123 H SER 21 H SER 21 -10.409 3.440 -9.126 124 HA SER 21 HA SER 21 -9.852 1.941 -6.692 125 HB2 SER 21 1HB SER 21 -9.707 4.557 -7.081 126 HB3 SER 21 2HB SER 21 -11.423 4.485 -6.684 127 HG SER 21 HG SER 21 -9.601 4.667 -4.956 128 H ARG 22 H ARG 22 -11.770 0.943 -8.682 129 HA ARG 22 HA ARG 22 -14.360 1.254 -7.397 130 HB2 ARG 22 1HB ARG 22 -13.377 0.021 -9.933 131 HB3 ARG 22 2HB ARG 22 -14.902 -0.543 -9.264 132 HG2 ARG 22 1HG ARG 22 -14.423 2.382 -9.628 133 HG3 ARG 22 2HG ARG 22 -14.888 1.376 -11.002 134 HD2 ARG 22 1HD ARG 22 -16.954 2.018 -10.267 135 HD3 ARG 22 2HD ARG 22 -16.743 0.542 -9.327 136 HE ARG 22 HE ARG 22 -15.726 2.561 -7.765 137 HH11 ARG 22 1HH1 ARG 22 -18.788 1.831 -9.251 138 HH12 ARG 22 2HH1 ARG 22 -19.719 2.633 -8.030 139 HH21 ARG 22 1HH2 ARG 22 -16.941 3.619 -6.151 140 HH22 ARG 22 2HH2 ARG 22 -18.668 3.651 -6.267 141 H ARG 23 H ARG 23 -12.241 -1.478 -8.286 142 HA ARG 23 HA ARG 23 -13.610 -3.158 -6.331 143 HB2 ARG 23 1HB ARG 23 -11.532 -3.778 -8.433 144 HB3 ARG 23 2HB ARG 23 -12.168 -4.970 -7.307 145 HG2 ARG 23 1HG ARG 23 -14.276 -4.953 -8.280 146 HG3 ARG 23 2HG ARG 23 -14.008 -3.392 -9.059 147 HD2 ARG 23 1HD ARG 23 -12.077 -4.733 -10.268 148 HD3 ARG 23 2HD ARG 23 -13.107 -6.108 -9.870 149 HE ARG 23 HE ARG 23 -13.628 -4.049 -11.818 150 HH11 ARG 23 1HH1 ARG 23 -15.011 -6.520 -9.794 151 HH12 ARG 23 2HH1 ARG 23 -16.425 -6.714 -10.774 152 HH21 ARG 23 1HH2 ARG 23 -15.485 -4.296 -13.118 153 HH22 ARG 23 2HH2 ARG 23 -16.694 -5.450 -12.666 154 H CYS 24 H CYS 24 -12.166 -4.653 -5.022 155 HA CYS 24 HA CYS 24 -10.589 -3.129 -3.276 156 HB2 CYS 24 1HB CYS 24 -9.931 -5.315 -2.295 157 HB3 CYS 24 2HB CYS 24 -11.668 -5.158 -2.521 158 HG CYS 24 HG CYS 24 -11.995 -7.088 -4.253 159 H SER 25 H SER 25 -8.419 -2.823 -3.060 160 HA SER 25 HA SER 25 -6.807 -3.377 -5.414 161 HB2 SER 25 1HB SER 25 -6.591 -1.553 -3.065 162 HB3 SER 25 2HB SER 25 -5.099 -2.036 -3.869 163 HG SER 25 HG SER 25 -7.048 -0.318 -4.700 164 H GLN 26 H GLN 26 -5.115 -4.756 -5.516 165 HA GLN 26 HA GLN 26 -4.708 -6.511 -3.206 166 HB2 GLN 26 1HB GLN 26 -4.347 -6.816 -6.155 167 HB3 GLN 26 2HB GLN 26 -3.370 -7.806 -5.080 168 HG2 GLN 26 1HG GLN 26 -5.182 -8.970 -4.278 169 HG3 GLN 26 2HG GLN 26 -6.320 -7.687 -4.683 170 HE21 GLN 26 1HE2 GLN 26 -5.447 -10.705 -5.462 171 HE22 GLN 26 2HE2 GLN 26 -5.925 -10.751 -7.122 172 H VAL 27 H VAL 27 -2.968 -6.283 -1.980 173 HA VAL 27 HA VAL 27 -0.596 -4.964 -3.135 174 HB VAL 27 HB VAL 27 -1.177 -4.961 -0.192 175 HG11 VAL 27 1HG1 VAL 27 0.390 -3.149 -2.024 176 HG12 VAL 27 2HG1 VAL 27 0.172 -2.891 -0.291 177 HG13 VAL 27 3HG1 VAL 27 1.047 -4.310 -0.870 178 HG21 VAL 27 1HG2 VAL 27 -3.081 -3.845 -0.654 179 HG22 VAL 27 2HG2 VAL 27 -1.985 -2.492 -0.933 180 HG23 VAL 27 3HG2 VAL 27 -2.574 -3.444 -2.295 181 H LYS 28 H LYS 28 1.447 -5.741 -2.552 182 HA LYS 28 HA LYS 28 1.505 -8.564 -1.927 183 HB2 LYS 28 1HB LYS 28 3.792 -6.667 -2.489 184 HB3 LYS 28 2HB LYS 28 3.886 -8.423 -2.449 185 HG2 LYS 28 1HG LYS 28 2.175 -6.881 -4.383 186 HG3 LYS 28 2HG LYS 28 3.814 -7.433 -4.732 187 HD2 LYS 28 1HD LYS 28 2.827 -9.752 -3.945 188 HD3 LYS 28 2HD LYS 28 1.301 -9.000 -4.418 189 HE2 LYS 28 1HE LYS 28 2.075 -10.153 -6.326 190 HE3 LYS 28 2HE LYS 28 2.410 -8.448 -6.624 191 HZ1 LYS 28 1HZ LYS 28 4.563 -8.877 -6.799 192 HZ2 LYS 28 2HZ LYS 28 4.204 -10.528 -6.745 193 HZ3 LYS 28 3HZ LYS 28 4.599 -9.701 -5.323 194 H LEU 29 H LEU 29 1.229 -9.039 0.174 195 HA LEU 29 HA LEU 29 1.941 -7.443 2.351 196 HB2 LEU 29 1HB LEU 29 0.442 -9.574 2.163 197 HB3 LEU 29 2HB LEU 29 1.935 -10.422 2.563 198 HG LEU 29 HG LEU 29 2.074 -9.120 4.659 199 HD11 LEU 29 1HD1 LEU 29 -0.608 -8.064 3.778 200 HD12 LEU 29 2HD1 LEU 29 0.872 -7.135 4.016 201 HD13 LEU 29 3HD1 LEU 29 0.067 -7.880 5.396 202 HD21 LEU 29 1HD2 LEU 29 1.164 -11.174 5.089 203 HD22 LEU 29 2HD2 LEU 29 -0.215 -10.913 4.022 204 HD23 LEU 29 3HD2 LEU 29 -0.165 -10.135 5.604 205 H GLY 30 H GLY 30 3.859 -6.907 3.147 206 HA2 GLY 30 1HA GLY 30 5.991 -7.348 4.038 207 HA3 GLY 30 2HA GLY 30 6.022 -8.868 3.156 208 H SER 31 H SER 31 5.050 -6.120 1.361 209 HA SER 31 HA SER 31 7.754 -5.586 0.400 210 HB2 SER 31 1HB SER 31 5.536 -6.765 -1.250 211 HB3 SER 31 2HB SER 31 6.764 -5.745 -2.002 212 HG SER 31 HG SER 31 7.051 -8.202 -1.755 213 H ALA 32 H ALA 32 8.018 -3.466 0.301 214 HA ALA 32 HA ALA 32 6.142 -1.543 0.823 215 HB1 ALA 32 1HB ALA 32 8.830 -1.552 0.205 216 HB2 ALA 32 2HB ALA 32 8.113 -0.574 -1.078 217 HB3 ALA 32 3HB ALA 32 7.858 -0.137 0.611 218 H ALA 33 H ALA 33 4.315 -1.056 -0.185 219 HA ALA 33 HA ALA 33 4.271 -1.127 -3.133 220 HB1 ALA 33 1HB ALA 33 1.827 -1.622 -2.917 221 HB2 ALA 33 2HB ALA 33 2.892 -2.907 -2.346 222 HB3 ALA 33 3HB ALA 33 2.087 -1.849 -1.188 223 H ASP 34 H ASP 34 3.553 0.643 -4.182 224 HA ASP 34 HA ASP 34 3.232 3.073 -2.702 225 HB2 ASP 34 1HB ASP 34 3.029 2.430 -5.646 226 HB3 ASP 34 2HB ASP 34 2.817 4.055 -5.000 227 H PHE 35 H PHE 35 1.407 4.489 -2.780 228 HA PHE 35 HA PHE 35 -1.148 3.236 -3.485 229 HB2 PHE 35 1HB PHE 35 -0.455 4.452 -0.809 230 HB3 PHE 35 2HB PHE 35 -2.108 4.152 -1.334 231 HD1 PHE 35 1HD PHE 35 1.132 2.481 -0.664 232 HD2 PHE 35 2HD PHE 35 -3.085 2.052 -1.063 233 HE1 PHE 35 1HE PHE 35 1.291 0.172 0.172 234 HE2 PHE 35 2HE PHE 35 -2.933 -0.257 -0.226 235 HZ PHE 35 HZ PHE 35 -0.743 -1.199 0.393 236 H LEU 36 H LEU 36 -2.308 4.553 -4.714 237 HA LEU 36 HA LEU 36 -1.581 7.363 -4.891 238 HB2 LEU 36 1HB LEU 36 -2.006 5.810 -6.875 239 HB3 LEU 36 2HB LEU 36 -3.716 5.966 -6.476 240 HG LEU 36 HG LEU 36 -3.351 8.490 -6.724 241 HD11 LEU 36 1HD1 LEU 36 -0.724 7.441 -7.486 242 HD12 LEU 36 2HD1 LEU 36 -1.193 9.051 -6.941 243 HD13 LEU 36 3HD1 LEU 36 -1.415 8.591 -8.629 244 HD21 LEU 36 1HD2 LEU 36 -3.651 8.363 -9.154 245 HD22 LEU 36 2HD2 LEU 36 -4.624 7.158 -8.310 246 HD23 LEU 36 3HD2 LEU 36 -3.136 6.677 -9.126 247 H LEU 37 H LEU 37 -2.550 8.814 -3.651 248 HA LEU 37 HA LEU 37 -5.388 8.417 -2.972 249 HB2 LEU 37 1HB LEU 37 -5.066 9.080 -0.788 250 HB3 LEU 37 2HB LEU 37 -3.631 8.107 -1.107 251 HG LEU 37 HG LEU 37 -3.689 11.120 -1.219 252 HD11 LEU 37 1HD1 LEU 37 -2.728 11.160 0.948 253 HD12 LEU 37 2HD1 LEU 37 -2.576 9.403 0.987 254 HD13 LEU 37 3HD1 LEU 37 -4.171 10.152 1.050 255 HD21 LEU 37 1HD2 LEU 37 -1.761 10.782 -2.293 256 HD22 LEU 37 2HD2 LEU 37 -1.725 9.069 -1.873 257 HD23 LEU 37 3HD2 LEU 37 -1.124 10.271 -0.730 258 H ASP 38 H ASP 38 -6.704 10.226 -2.974 259 HA ASP 38 HA ASP 38 -5.660 12.494 -4.479 260 HB2 ASP 38 1HB ASP 38 -8.190 13.133 -4.392 261 HB3 ASP 38 2HB ASP 38 -7.664 11.814 -5.434 262 H ILE 39 H ILE 39 -4.545 13.764 -3.062 263 HA ILE 39 HA ILE 39 -6.072 14.836 -0.780 264 HB ILE 39 HB ILE 39 -3.708 15.418 0.108 265 HG12 ILE 39 1HG1 ILE 39 -2.911 12.992 -1.476 266 HG13 ILE 39 2HG1 ILE 39 -2.729 14.602 -2.163 267 HG21 ILE 39 1HG2 ILE 39 -3.751 13.530 1.452 268 HG22 ILE 39 2HG2 ILE 39 -5.419 13.648 0.894 269 HG23 ILE 39 3HG2 ILE 39 -4.320 12.490 0.147 270 HD11 ILE 39 1HD1 ILE 39 -1.522 15.022 0.167 271 HD12 ILE 39 2HD1 ILE 39 -1.236 13.289 0.019 272 HD13 ILE 39 3HD1 ILE 39 -0.680 14.385 -1.246 273 H SER 40 H SER 40 -6.515 16.937 -0.841 274 HA SER 40 HA SER 40 -5.802 18.573 -3.014 275 HB2 SER 40 1HB SER 40 -7.189 18.990 -0.408 276 HB3 SER 40 2HB SER 40 -6.616 20.418 -1.270 277 HG SER 40 HG SER 40 -8.240 18.397 -2.426 278 H GLU 41 H GLU 41 -4.010 17.653 -0.334 279 HA GLU 41 HA GLU 41 -2.340 20.068 -0.421 280 HB2 GLU 41 1HB GLU 41 -2.697 17.892 1.620 281 HB3 GLU 41 2HB GLU 41 -1.264 18.910 1.633 282 HG2 GLU 41 1HG GLU 41 -4.112 19.665 2.125 283 HG3 GLU 41 2HG GLU 41 -2.694 19.947 3.133 284 H THR 42 H THR 42 -0.454 20.024 -1.443 285 HA THR 42 HA THR 42 0.526 17.502 -2.511 286 HB THR 42 HB THR 42 2.202 18.990 -3.688 287 HG1 THR 42 1HG THR 42 0.533 21.161 -3.051 288 HG21 THR 42 1HG2 THR 42 -0.728 19.575 -4.130 289 HG22 THR 42 2HG2 THR 42 0.170 18.212 -4.798 290 HG23 THR 42 3HG2 THR 42 0.564 19.858 -5.295 291 H ASP 43 H ASP 43 2.052 20.288 -0.881 292 HA ASP 43 HA ASP 43 4.491 19.247 -0.295 293 HB2 ASP 43 1HB ASP 43 4.346 20.642 1.864 294 HB3 ASP 43 2HB ASP 43 4.139 21.483 0.331 295 H LEU 44 H LEU 44 4.883 17.237 0.391 296 HA LEU 44 HA LEU 44 3.164 15.831 2.185 297 HB2 LEU 44 1HB LEU 44 5.993 15.110 1.461 298 HB3 LEU 44 2HB LEU 44 4.714 14.033 2.017 299 HG LEU 44 HG LEU 44 3.565 14.892 -0.230 300 HD11 LEU 44 1HD1 LEU 44 4.900 15.923 -1.666 301 HD12 LEU 44 2HD1 LEU 44 6.086 14.623 -1.553 302 HD13 LEU 44 3HD1 LEU 44 6.152 15.976 -0.424 303 HD21 LEU 44 1HD2 LEU 44 4.921 12.898 -1.313 304 HD22 LEU 44 2HD2 LEU 44 3.713 12.622 -0.058 305 HD23 LEU 44 3HD2 LEU 44 5.427 12.653 0.358 306 H SER 45 H SER 45 6.405 17.259 2.484 307 HA SER 45 HA SER 45 7.115 16.552 5.010 308 HB2 SER 45 1HB SER 45 7.437 19.227 3.642 309 HB3 SER 45 2HB SER 45 8.213 18.832 5.175 310 HG SER 45 HG SER 45 8.713 17.840 2.611 311 H SER 46 H SER 46 5.258 19.508 4.267 312 HA SER 46 HA SER 46 4.690 20.263 6.868 313 HB2 SER 46 1HB SER 46 3.233 20.688 4.271 314 HB3 SER 46 2HB SER 46 2.579 21.312 5.785 315 HG SER 46 HG SER 46 3.852 22.900 4.892 316 H LEU 47 H LEU 47 3.397 17.663 5.020 317 HA LEU 47 HA LEU 47 1.165 17.291 6.876 318 HB2 LEU 47 1HB LEU 47 1.879 15.839 4.333 319 HB3 LEU 47 2HB LEU 47 0.452 15.520 5.317 320 HG LEU 47 HG LEU 47 1.017 18.128 3.909 321 HD11 LEU 47 1HD1 LEU 47 -1.138 17.124 2.666 322 HD12 LEU 47 2HD1 LEU 47 -0.277 15.628 3.029 323 HD13 LEU 47 3HD1 LEU 47 0.512 16.895 2.089 324 HD21 LEU 47 1HD2 LEU 47 -1.710 17.770 4.478 325 HD22 LEU 47 2HD2 LEU 47 -0.600 18.938 5.193 326 HD23 LEU 47 3HD2 LEU 47 -0.837 17.364 5.955 327 H THR 48 H THR 48 0.763 15.097 7.717 328 HA THR 48 HA THR 48 3.300 13.799 8.456 329 HB THR 48 HB THR 48 0.719 13.451 9.962 330 HG1 THR 48 1HG THR 48 1.148 15.685 9.933 331 HG21 THR 48 1HG2 THR 48 2.090 11.971 10.967 332 HG22 THR 48 2HG2 THR 48 2.766 13.397 11.754 333 HG23 THR 48 3HG2 THR 48 3.544 12.728 10.319 334 H ALA 49 H ALA 49 3.285 11.471 8.729 335 HA ALA 49 HA ALA 49 1.190 10.083 7.205 336 HB1 ALA 49 1HB ALA 49 3.802 8.897 6.798 337 HB2 ALA 49 2HB ALA 49 2.574 9.358 5.618 338 HB3 ALA 49 3HB ALA 49 3.727 10.557 6.206 339 H SER 50 H SER 50 0.358 8.456 8.325 340 HA SER 50 HA SER 50 2.054 6.830 10.041 341 HB2 SER 50 1HB SER 50 0.898 8.856 11.301 342 HB3 SER 50 2HB SER 50 -0.497 7.779 11.274 343 HG SER 50 HG SER 50 0.396 6.728 12.843 344 H ILE 51 H ILE 51 1.378 4.741 10.206 345 HA ILE 51 HA ILE 51 -1.311 4.030 9.325 346 HB ILE 51 HB ILE 51 1.158 2.834 8.061 347 HG12 ILE 51 1HG1 ILE 51 -1.008 4.594 6.891 348 HG13 ILE 51 2HG1 ILE 51 0.658 5.073 7.195 349 HG21 ILE 51 1HG2 ILE 51 -1.257 1.616 8.518 350 HG22 ILE 51 2HG2 ILE 51 -1.440 2.239 6.880 351 HG23 ILE 51 3HG2 ILE 51 -0.098 1.164 7.268 352 HD11 ILE 51 1HD1 ILE 51 -0.474 3.391 5.041 353 HD12 ILE 51 2HD1 ILE 51 0.806 4.603 4.985 354 HD13 ILE 51 3HD1 ILE 51 1.141 2.995 5.627 355 H LYS 52 H LYS 52 -2.112 2.238 10.304 356 HA LYS 52 HA LYS 52 -0.323 0.414 11.698 357 HB2 LYS 52 1HB LYS 52 -0.648 1.965 13.456 358 HB3 LYS 52 2HB LYS 52 -2.354 2.164 13.073 359 HG2 LYS 52 1HG LYS 52 -2.962 0.246 14.148 360 HG3 LYS 52 2HG LYS 52 -1.402 -0.534 13.876 361 HD2 LYS 52 1HD LYS 52 -1.231 -0.096 16.113 362 HD3 LYS 52 2HD LYS 52 -0.559 1.403 15.468 363 HE2 LYS 52 1HE LYS 52 -3.458 1.036 16.208 364 HE3 LYS 52 2HE LYS 52 -2.243 1.703 17.298 365 HZ1 LYS 52 1HZ LYS 52 -2.479 3.672 16.348 366 HZ2 LYS 52 2HZ LYS 52 -3.721 3.056 15.378 367 HZ3 LYS 52 3HZ LYS 52 -2.124 3.039 14.819 368 H ALA 53 H ALA 53 -0.981 -1.583 11.291 369 HA ALA 53 HA ALA 53 -3.196 -2.315 9.851 370 HB1 ALA 53 1HB ALA 53 -1.171 -3.672 11.384 371 HB2 ALA 53 2HB ALA 53 -2.727 -4.490 11.540 372 HB3 ALA 53 3HB ALA 53 -2.035 -4.208 9.942 373 HA PRO 54 HA PRO 54 -6.758 -2.356 12.412 374 HB2 PRO 54 1HB PRO 54 -7.901 -4.767 11.912 375 HB3 PRO 54 2HB PRO 54 -7.883 -3.450 10.734 376 HG2 PRO 54 1HG PRO 54 -6.100 -5.847 10.925 377 HG3 PRO 54 2HG PRO 54 -6.850 -5.121 9.490 378 HD2 PRO 54 1HD PRO 54 -4.260 -4.693 10.156 379 HD3 PRO 54 2HD PRO 54 -5.250 -3.468 9.337 380 H SER 55 H SER 55 -4.367 -4.775 12.898 381 HA SER 55 HA SER 55 -5.603 -5.840 15.299 382 HB2 SER 55 1HB SER 55 -4.116 -7.116 13.558 383 HB3 SER 55 2HB SER 55 -2.778 -6.437 14.483 384 HG SER 55 HG SER 55 -4.871 -8.084 15.462 385 H GLY 56 H GLY 56 -3.985 -3.082 14.590 386 HA2 GLY 56 1HA GLY 56 -3.373 -1.451 16.172 387 HA3 GLY 56 2HA GLY 56 -3.219 -2.716 17.383 388 H ARG 57 H ARG 57 -1.724 -3.284 14.340 389 HA ARG 57 HA ARG 57 0.902 -2.915 15.601 390 HB2 ARG 57 1HB ARG 57 0.193 -4.478 13.111 391 HB3 ARG 57 2HB ARG 57 1.756 -4.449 13.915 392 HG2 ARG 57 1HG ARG 57 -0.779 -5.467 15.177 393 HG3 ARG 57 2HG ARG 57 0.419 -6.484 14.373 394 HD2 ARG 57 1HD ARG 57 1.163 -6.668 16.519 395 HD3 ARG 57 2HD ARG 57 2.056 -5.228 16.031 396 HE ARG 57 HE ARG 57 0.900 -4.074 17.613 397 HH11 ARG 57 1HH1 ARG 57 -0.968 -6.871 16.718 398 HH12 ARG 57 2HH1 ARG 57 -2.217 -6.572 17.880 399 HH21 ARG 57 1HH2 ARG 57 -0.737 -3.669 19.148 400 HH22 ARG 57 2HH2 ARG 57 -2.085 -4.750 19.262 401 H ASP 58 H ASP 58 1.911 -1.088 15.122 402 HA ASP 58 HA ASP 58 1.186 0.666 13.057 403 HB2 ASP 58 1HB ASP 58 2.332 1.737 14.751 404 HB3 ASP 58 2HB ASP 58 3.518 0.444 14.911 405 H GLU 59 H GLU 59 2.621 1.402 11.277 406 HA GLU 59 HA GLU 59 4.316 -0.705 10.158 407 HB2 GLU 59 1HB GLU 59 2.201 0.648 8.487 408 HB3 GLU 59 2HB GLU 59 3.219 -0.716 8.042 409 HG2 GLU 59 1HG GLU 59 1.336 -0.956 10.344 410 HG3 GLU 59 2HG GLU 59 0.739 -1.103 8.692 411 HA PRO 60 HA PRO 60 6.896 2.731 9.188 412 HB2 PRO 60 1HB PRO 60 8.479 1.543 7.330 413 HB3 PRO 60 2HB PRO 60 8.611 1.208 9.061 414 HG2 PRO 60 1HG PRO 60 7.226 -0.369 6.926 415 HG3 PRO 60 2HG PRO 60 8.246 -0.943 8.257 416 HD2 PRO 60 1HD PRO 60 5.542 -1.044 8.346 417 HD3 PRO 60 2HD PRO 60 6.537 -0.800 9.796 418 H CYS 61 H CYS 61 5.370 4.112 8.193 419 HA CYS 61 HA CYS 61 5.085 3.826 5.282 420 HB2 CYS 61 1HB CYS 61 3.188 5.374 5.481 421 HB3 CYS 61 2HB CYS 61 2.976 3.968 6.517 422 HG CYS 61 HG CYS 61 3.240 5.203 8.867 423 H LEU 62 H LEU 62 5.516 5.565 3.903 424 HA LEU 62 HA LEU 62 6.762 7.943 5.045 425 HB2 LEU 62 1HB LEU 62 8.445 6.045 4.460 426 HB3 LEU 62 2HB LEU 62 8.150 6.545 2.797 427 HG LEU 62 HG LEU 62 10.201 7.509 3.905 428 HD11 LEU 62 1HD1 LEU 62 10.063 9.421 2.653 429 HD12 LEU 62 2HD1 LEU 62 8.394 9.742 3.122 430 HD13 LEU 62 3HD1 LEU 62 8.751 8.477 1.947 431 HD21 LEU 62 1HD2 LEU 62 8.310 9.381 5.283 432 HD22 LEU 62 2HD2 LEU 62 10.036 9.139 5.557 433 HD23 LEU 62 3HD2 LEU 62 8.879 7.913 6.079 434 H LEU 63 H LEU 63 5.939 9.675 4.090 435 HA LEU 63 HA LEU 63 4.392 9.429 1.674 436 HB2 LEU 63 1HB LEU 63 4.933 11.569 3.667 437 HB3 LEU 63 2HB LEU 63 4.361 12.045 2.070 438 HG LEU 63 HG LEU 63 2.886 10.051 3.769 439 HD11 LEU 63 1HD1 LEU 63 1.963 12.860 3.630 440 HD12 LEU 63 2HD1 LEU 63 3.314 12.505 4.706 441 HD13 LEU 63 3HD1 LEU 63 1.779 11.664 4.914 442 HD21 LEU 63 1HD2 LEU 63 2.214 9.989 1.495 443 HD22 LEU 63 2HD2 LEU 63 2.189 11.750 1.384 444 HD23 LEU 63 3HD2 LEU 63 0.984 10.911 2.362 445 H LYS 64 H LYS 64 5.054 9.804 -0.337 446 HA LYS 64 HA LYS 64 7.335 11.560 -0.820 447 HB2 LYS 64 1HB LYS 64 8.391 9.910 -2.325 448 HB3 LYS 64 2HB LYS 64 8.352 9.362 -0.654 449 HG2 LYS 64 1HG LYS 64 6.174 8.153 -1.359 450 HG3 LYS 64 2HG LYS 64 6.782 8.386 -2.999 451 HD2 LYS 64 1HD LYS 64 8.646 7.274 -0.969 452 HD3 LYS 64 2HD LYS 64 7.364 6.224 -1.576 453 HE2 LYS 64 1HE LYS 64 8.207 6.208 -3.713 454 HE3 LYS 64 2HE LYS 64 8.994 7.774 -3.528 455 HZ1 LYS 64 1HZ LYS 64 10.282 6.221 -1.725 456 HZ2 LYS 64 2HZ LYS 64 10.847 6.587 -3.276 457 HZ3 LYS 64 3HZ LYS 64 10.013 5.141 -2.999 458 H ARG 65 H ARG 65 7.681 11.641 -3.350 459 HA ARG 65 HA ARG 65 5.064 12.305 -4.457 460 HB2 ARG 65 1HB ARG 65 6.658 14.066 -4.646 461 HB3 ARG 65 2HB ARG 65 7.882 12.980 -5.289 462 HG2 ARG 65 1HG ARG 65 7.210 14.047 -7.193 463 HG3 ARG 65 2HG ARG 65 6.139 12.645 -7.211 464 HD2 ARG 65 1HD ARG 65 4.289 13.879 -6.669 465 HD3 ARG 65 2HD ARG 65 5.223 15.097 -5.803 466 HE ARG 65 HE ARG 65 5.738 15.101 -8.617 467 HH11 ARG 65 1HH1 ARG 65 3.562 16.213 -6.138 468 HH12 ARG 65 2HH1 ARG 65 3.006 17.575 -7.054 469 HH21 ARG 65 1HH2 ARG 65 5.014 16.891 -9.833 470 HH22 ARG 65 2HH2 ARG 65 3.832 17.958 -9.156 471 H LEU 66 H LEU 66 4.255 11.466 -6.356 472 HA LEU 66 HA LEU 66 5.447 8.928 -7.193 473 HB2 LEU 66 1HB LEU 66 2.732 10.108 -7.762 474 HB3 LEU 66 2HB LEU 66 3.281 8.515 -8.279 475 HG LEU 66 HG LEU 66 2.927 9.383 -5.410 476 HD11 LEU 66 1HD1 LEU 66 0.819 9.187 -6.751 477 HD12 LEU 66 2HD1 LEU 66 0.933 8.090 -5.375 478 HD13 LEU 66 3HD1 LEU 66 1.219 7.488 -7.007 479 HD21 LEU 66 1HD2 LEU 66 4.023 6.970 -6.723 480 HD22 LEU 66 2HD2 LEU 66 2.956 6.710 -5.343 481 HD23 LEU 66 3HD2 LEU 66 4.411 7.690 -5.161 482 HA PRO 67 HA PRO 67 6.848 10.437 -11.072 483 HB2 PRO 67 1HB PRO 67 6.529 8.232 -12.621 484 HB3 PRO 67 2HB PRO 67 7.793 8.368 -11.394 485 HG2 PRO 67 1HG PRO 67 5.141 6.988 -11.236 486 HG3 PRO 67 2HG PRO 67 6.725 6.435 -10.663 487 HD2 PRO 67 1HD PRO 67 4.868 7.503 -9.007 488 HD3 PRO 67 2HD PRO 67 6.612 7.702 -8.741 489 H ASN 68 H ASN 68 3.743 8.733 -11.070 490 HA ASN 68 HA ASN 68 2.903 9.800 -13.590 491 HB2 ASN 68 1HB ASN 68 1.111 8.647 -11.453 492 HB3 ASN 68 2HB ASN 68 0.829 8.697 -13.191 493 HD21 ASN 68 1HD2 ASN 68 1.428 7.011 -14.379 494 HD22 ASN 68 2HD2 ASN 68 2.383 5.685 -13.821 495 H ASN 69 H ASN 69 3.659 12.020 -12.563 496 HA ASN 69 HA ASN 69 3.120 14.032 -11.551 497 HB2 ASN 69 1HB ASN 69 2.126 13.913 -13.924 498 HB3 ASN 69 2HB ASN 69 0.571 13.710 -13.123 499 HD21 ASN 69 1HD2 ASN 69 2.680 15.905 -14.393 500 HD22 ASN 69 2HD2 ASN 69 2.098 17.335 -13.618 501 H HIS 70 H HIS 70 2.500 12.018 -9.756 502 HA HIS 70 HA HIS 70 0.241 13.234 -8.360 503 HB2 HIS 70 1HB HIS 70 0.494 10.269 -8.899 504 HB3 HIS 70 2HB HIS 70 -0.629 10.972 -7.739 505 HD1 HIS 70 1HD HIS 70 -1.617 13.351 -9.491 506 HD2 HIS 70 2HD HIS 70 -1.298 9.414 -10.780 507 HE1 HIS 70 1HE HIS 70 -3.213 13.144 -11.422 508 HE2 HIS 70 2HE HIS 70 -3.067 10.732 -12.131 509 H ILE 71 H ILE 71 0.082 11.810 -6.128 510 HA ILE 71 HA ILE 71 2.779 11.355 -5.098 511 HB ILE 71 HB ILE 71 0.848 13.283 -3.800 512 HG12 ILE 71 1HG1 ILE 71 3.604 13.952 -4.790 513 HG13 ILE 71 2HG1 ILE 71 2.230 13.988 -5.889 514 HG21 ILE 71 1HG2 ILE 71 2.069 13.204 -1.926 515 HG22 ILE 71 2HG2 ILE 71 2.667 11.670 -2.553 516 HG23 ILE 71 3HG2 ILE 71 3.594 13.147 -2.810 517 HD11 ILE 71 1HD1 ILE 71 1.384 15.426 -3.674 518 HD12 ILE 71 2HD1 ILE 71 3.061 15.913 -3.916 519 HD13 ILE 71 3HD1 ILE 71 1.898 16.074 -5.232 520 H GLY 72 H GLY 72 2.881 9.801 -3.558 521 HA2 GLY 72 1HA GLY 72 0.424 8.961 -2.209 522 HA3 GLY 72 2HA GLY 72 1.240 7.775 -3.216 523 H ILE 73 H ILE 73 1.106 6.787 -0.917 524 HA ILE 73 HA ILE 73 3.509 7.562 0.601 525 HB ILE 73 HB ILE 73 1.319 7.663 1.820 526 HG12 ILE 73 1HG1 ILE 73 2.954 5.524 3.116 527 HG13 ILE 73 2HG1 ILE 73 3.723 7.069 2.764 528 HG21 ILE 73 1HG2 ILE 73 1.040 4.916 2.451 529 HG22 ILE 73 2HG2 ILE 73 -0.119 5.983 1.660 530 HG23 ILE 73 3HG2 ILE 73 1.038 5.068 0.694 531 HD11 ILE 73 1HD1 ILE 73 1.498 6.448 4.648 532 HD12 ILE 73 2HD1 ILE 73 2.982 7.362 4.920 533 HD13 ILE 73 3HD1 ILE 73 1.668 8.073 3.983 534 H SER 74 H SER 74 4.892 5.923 1.393 535 HA SER 74 HA SER 74 4.632 3.334 0.008 536 HB2 SER 74 1HB SER 74 6.942 5.200 0.216 537 HB3 SER 74 2HB SER 74 7.288 3.472 0.286 538 HG SER 74 HG SER 74 7.329 4.012 -1.844 539 H PHE 75 H PHE 75 4.118 1.872 1.499 540 HA PHE 75 HA PHE 75 5.803 1.660 3.879 541 HB2 PHE 75 1HB PHE 75 4.049 1.618 5.420 542 HB3 PHE 75 2HB PHE 75 3.581 2.918 4.328 543 HD1 PHE 75 2HD PHE 75 2.853 -0.483 5.446 544 HD2 PHE 75 1HD PHE 75 1.710 2.667 2.821 545 HE1 PHE 75 2HE PHE 75 0.705 -1.609 5.035 546 HE2 PHE 75 1HE PHE 75 -0.440 1.547 2.407 547 HZ PHE 75 HZ PHE 75 -0.946 -0.595 3.514 548 H ILE 76 H ILE 76 5.499 -0.453 4.996 549 HA ILE 76 HA ILE 76 4.905 -2.551 3.017 550 HB ILE 76 HB ILE 76 6.770 -2.659 5.390 551 HG12 ILE 76 1HG1 ILE 76 7.548 -2.918 2.498 552 HG13 ILE 76 2HG1 ILE 76 7.399 -1.333 3.248 553 HG21 ILE 76 1HG2 ILE 76 6.428 -4.744 3.251 554 HG22 ILE 76 2HG2 ILE 76 7.319 -4.870 4.767 555 HG23 ILE 76 3HG2 ILE 76 5.557 -4.793 4.783 556 HD11 ILE 76 1HD1 ILE 76 9.262 -3.551 4.051 557 HD12 ILE 76 2HD1 ILE 76 9.686 -2.004 3.317 558 HD13 ILE 76 3HD1 ILE 76 9.043 -2.055 4.958 559 HA PRO 77 HA PRO 77 1.531 -3.349 5.898 560 HB2 PRO 77 1HB PRO 77 0.209 -5.028 4.223 561 HB3 PRO 77 2HB PRO 77 0.117 -3.268 4.089 562 HG2 PRO 77 1HG PRO 77 1.788 -5.203 2.531 563 HG3 PRO 77 2HG PRO 77 0.869 -3.800 1.953 564 HD2 PRO 77 1HD PRO 77 3.547 -3.726 2.350 565 HD3 PRO 77 2HD PRO 77 2.506 -2.308 2.592 566 H ARG 78 H ARG 78 1.605 -4.813 7.477 567 HA ARG 78 HA ARG 78 3.004 -7.345 6.988 568 HB2 ARG 78 1HB ARG 78 2.555 -5.638 9.390 569 HB3 ARG 78 2HB ARG 78 2.736 -7.370 9.632 570 HG2 ARG 78 1HG ARG 78 4.898 -6.657 9.864 571 HG3 ARG 78 2HG ARG 78 4.858 -7.066 8.147 572 HD2 ARG 78 1HD ARG 78 5.865 -4.991 8.115 573 HD3 ARG 78 2HD ARG 78 4.173 -4.576 7.846 574 HE ARG 78 HE ARG 78 4.246 -3.388 9.783 575 HH11 ARG 78 1HH1 ARG 78 6.707 -5.847 9.916 576 HH12 ARG 78 2HH1 ARG 78 7.324 -5.330 11.450 577 HH21 ARG 78 1HH2 ARG 78 5.050 -2.698 11.804 578 HH22 ARG 78 2HH2 ARG 78 6.380 -3.539 12.524 579 H GLU 79 H GLU 79 -0.089 -6.130 7.165 580 HA GLU 79 HA GLU 79 -1.175 -8.811 7.611 581 HB2 GLU 79 1HB GLU 79 -1.766 -6.371 9.205 582 HB3 GLU 79 2HB GLU 79 -3.121 -7.419 8.806 583 HG2 GLU 79 1HG GLU 79 -0.677 -8.667 9.933 584 HG3 GLU 79 2HG GLU 79 -1.712 -7.733 11.010 585 H VAL 80 H VAL 80 -3.698 -8.650 7.167 586 HA VAL 80 HA VAL 80 -4.074 -7.011 4.747 587 HB VAL 80 HB VAL 80 -5.470 -8.872 3.837 588 HG11 VAL 80 1HG1 VAL 80 -3.689 -9.611 2.701 589 HG12 VAL 80 2HG1 VAL 80 -2.763 -8.496 3.707 590 HG13 VAL 80 3HG1 VAL 80 -2.887 -10.197 4.158 591 HG21 VAL 80 1HG2 VAL 80 -4.194 -10.522 6.013 592 HG22 VAL 80 2HG2 VAL 80 -5.868 -9.971 6.036 593 HG23 VAL 80 3HG2 VAL 80 -5.322 -11.077 4.776 594 H GLY 81 H GLY 81 -6.044 -6.044 4.472 595 HA2 GLY 81 1HA GLY 81 -8.512 -6.494 5.261 596 HA3 GLY 81 2HA GLY 81 -7.801 -6.080 6.813 597 H GLU 82 H GLU 82 -8.720 -4.158 7.263 598 HA GLU 82 HA GLU 82 -8.583 -2.057 5.209 599 HB2 GLU 82 1HB GLU 82 -10.841 -2.526 6.021 600 HB3 GLU 82 2HB GLU 82 -10.318 -2.243 7.677 601 HG2 GLU 82 1HG GLU 82 -9.829 0.089 7.119 602 HG3 GLU 82 2HG GLU 82 -10.375 -0.199 5.468 603 H HIS 83 H HIS 83 -6.666 -1.057 5.459 604 HA HIS 83 HA HIS 83 -5.659 -0.462 8.124 605 HB2 HIS 83 1HB HIS 83 -4.526 -0.362 5.359 606 HB3 HIS 83 2HB HIS 83 -3.784 0.623 6.616 607 HD1 HIS 83 1HD HIS 83 -4.964 -3.003 6.492 608 HD2 HIS 83 2HD HIS 83 -1.683 -0.722 7.626 609 HE1 HIS 83 1HE HIS 83 -3.286 -4.643 7.399 610 HE2 HIS 83 2HE HIS 83 -1.343 -3.231 8.157 611 H LEU 84 H LEU 84 -5.382 1.581 8.962 612 HA LEU 84 HA LEU 84 -6.755 3.745 7.509 613 HB2 LEU 84 1HB LEU 84 -6.619 3.054 10.418 614 HB3 LEU 84 2HB LEU 84 -6.958 4.706 9.906 615 HG LEU 84 HG LEU 84 -8.615 2.311 9.118 616 HD11 LEU 84 1HD1 LEU 84 -9.966 4.126 10.852 617 HD12 LEU 84 2HD1 LEU 84 -8.466 3.608 11.619 618 HD13 LEU 84 3HD1 LEU 84 -9.640 2.408 11.078 619 HD21 LEU 84 1HD2 LEU 84 -9.077 5.282 8.862 620 HD22 LEU 84 2HD2 LEU 84 -10.256 4.028 8.476 621 HD23 LEU 84 3HD2 LEU 84 -8.763 4.150 7.546 622 H VAL 85 H VAL 85 -5.492 5.333 6.828 623 HA VAL 85 HA VAL 85 -2.846 5.672 8.045 624 HB VAL 85 HB VAL 85 -3.856 6.937 5.499 625 HG11 VAL 85 1HG1 VAL 85 -1.606 7.455 7.013 626 HG12 VAL 85 2HG1 VAL 85 -1.015 6.378 5.744 627 HG13 VAL 85 3HG1 VAL 85 -1.842 7.877 5.318 628 HG21 VAL 85 1HG2 VAL 85 -2.048 4.916 4.848 629 HG22 VAL 85 2HG2 VAL 85 -3.141 4.190 6.027 630 HG23 VAL 85 3HG2 VAL 85 -3.787 4.921 4.557 631 H SER 86 H SER 86 -2.421 7.335 9.333 632 HA SER 86 HA SER 86 -4.432 9.412 9.675 633 HB2 SER 86 1HB SER 86 -1.884 9.277 11.255 634 HB3 SER 86 2HB SER 86 -3.477 9.844 11.757 635 HG SER 86 HG SER 86 -2.428 7.439 12.088 636 H ILE 87 H ILE 87 -4.303 11.045 8.273 637 HA ILE 87 HA ILE 87 -1.646 12.207 7.741 638 HB ILE 87 HB ILE 87 -4.031 12.438 5.912 639 HG12 ILE 87 1HG1 ILE 87 -3.509 10.104 5.963 640 HG13 ILE 87 2HG1 ILE 87 -2.800 10.756 4.491 641 HG21 ILE 87 1HG2 ILE 87 -2.763 13.921 4.858 642 HG22 ILE 87 2HG2 ILE 87 -1.455 13.661 6.010 643 HG23 ILE 87 3HG2 ILE 87 -1.566 12.661 4.562 644 HD11 ILE 87 1HD1 ILE 87 -1.537 9.441 6.728 645 HD12 ILE 87 2HD1 ILE 87 -0.917 9.767 5.109 646 HD13 ILE 87 3HD1 ILE 87 -0.785 10.994 6.368 647 H LYS 88 H LYS 88 -1.428 13.985 8.928 648 HA LYS 88 HA LYS 88 -3.638 15.928 8.935 649 HB2 LYS 88 1HB LYS 88 -1.840 15.766 11.308 650 HB3 LYS 88 2HB LYS 88 -3.514 16.295 11.206 651 HG2 LYS 88 1HG LYS 88 -4.324 14.095 11.192 652 HG3 LYS 88 2HG LYS 88 -2.733 13.423 10.830 653 HD2 LYS 88 1HD LYS 88 -1.981 14.319 13.068 654 HD3 LYS 88 2HD LYS 88 -3.678 14.661 13.408 655 HE2 LYS 88 1HE LYS 88 -3.985 12.146 12.708 656 HE3 LYS 88 2HE LYS 88 -2.279 12.042 13.137 657 HZ1 LYS 88 1HZ LYS 88 -4.525 12.871 14.888 658 HZ2 LYS 88 2HZ LYS 88 -2.898 13.043 15.316 659 HZ3 LYS 88 3HZ LYS 88 -3.543 11.503 15.053 660 H LYS 89 H LYS 89 -2.783 18.138 9.735 661 HA LYS 89 HA LYS 89 -0.111 18.615 8.588 662 HB2 LYS 89 1HB LYS 89 -1.992 19.355 7.097 663 HB3 LYS 89 2HB LYS 89 -2.473 20.484 8.357 664 HG2 LYS 89 1HG LYS 89 -0.329 21.622 8.177 665 HG3 LYS 89 2HG LYS 89 0.183 20.474 6.938 666 HD2 LYS 89 1HD LYS 89 -1.965 21.239 5.699 667 HD3 LYS 89 2HD LYS 89 -1.888 22.631 6.782 668 HE2 LYS 89 1HE LYS 89 0.615 22.702 5.980 669 HE3 LYS 89 2HE LYS 89 -0.027 21.805 4.604 670 HZ1 LYS 89 1HZ LYS 89 0.005 24.240 4.283 671 HZ2 LYS 89 2HZ LYS 89 -1.107 24.404 5.547 672 HZ3 LYS 89 3HZ LYS 89 -1.543 23.573 4.139 673 H ASN 90 H ASN 90 1.136 19.041 10.303 674 HA ASN 90 HA ASN 90 1.972 20.069 12.152 675 HB2 ASN 90 1HB ASN 90 0.015 22.140 11.183 676 HB3 ASN 90 2HB ASN 90 0.944 22.389 12.659 677 HD21 ASN 90 1HD2 ASN 90 1.390 21.434 9.274 678 HD22 ASN 90 2HD2 ASN 90 2.876 22.288 9.051 679 H GLY 91 H GLY 91 -0.296 18.205 12.359 680 HA2 GLY 91 1HA GLY 91 -1.164 17.301 14.364 681 HA3 GLY 91 2HA GLY 91 -1.051 18.892 15.102 682 H ASN 92 H ASN 92 -2.413 18.870 11.978 683 HA ASN 92 HA ASN 92 -5.135 18.849 13.096 684 HB2 ASN 92 1HB ASN 92 -3.998 20.840 11.122 685 HB3 ASN 92 2HB ASN 92 -5.702 20.720 11.550 686 HD21 ASN 92 1HD2 ASN 92 -2.681 22.009 12.364 687 HD22 ASN 92 2HD2 ASN 92 -3.127 22.745 13.861 688 H HIS 93 H HIS 93 -5.864 16.961 12.280 689 HA HIS 93 HA HIS 93 -5.246 15.530 10.114 690 HB2 HIS 93 1HB HIS 93 -7.889 16.075 11.397 691 HB3 HIS 93 2HB HIS 93 -7.858 15.144 9.902 692 HD1 HIS 93 1HD HIS 93 -6.823 12.781 9.996 693 HD2 HIS 93 2HD HIS 93 -6.841 14.772 13.643 694 HE1 HIS 93 1HE HIS 93 -6.284 11.031 11.720 695 HE2 HIS 93 2HE HIS 93 -6.385 12.241 13.927 696 H VAL 94 H VAL 94 -5.703 15.443 7.920 697 HA VAL 94 HA VAL 94 -6.568 17.998 6.742 698 HB VAL 94 HB VAL 94 -5.315 17.411 4.761 699 HG11 VAL 94 1HG1 VAL 94 -3.418 18.168 5.655 700 HG12 VAL 94 2HG1 VAL 94 -4.209 18.015 7.225 701 HG13 VAL 94 3HG1 VAL 94 -3.198 16.705 6.615 702 HG21 VAL 94 1HG2 VAL 94 -5.740 14.833 5.402 703 HG22 VAL 94 2HG2 VAL 94 -4.500 15.361 4.264 704 HG23 VAL 94 3HG2 VAL 94 -4.070 15.008 5.937 705 H ALA 95 H ALA 95 -7.245 17.421 4.263 706 HA ALA 95 HA ALA 95 -9.790 16.180 4.511 707 HB1 ALA 95 1HB ALA 95 -8.245 17.308 2.202 708 HB2 ALA 95 2HB ALA 95 -9.785 16.482 1.961 709 HB3 ALA 95 3HB ALA 95 -9.707 17.927 2.969 710 H ASN 96 H ASN 96 -10.561 14.270 3.602 711 HA ASN 96 HA ASN 96 -10.515 12.080 2.989 712 HB2 ASN 96 1HB ASN 96 -7.882 12.707 1.642 713 HB3 ASN 96 2HB ASN 96 -8.997 11.400 1.253 714 HD21 ASN 96 1HD2 ASN 96 -8.184 14.677 0.770 715 HD22 ASN 96 2HD2 ASN 96 -9.464 15.073 -0.322 716 H SER 97 H SER 97 -9.264 12.964 5.480 717 HA SER 97 HA SER 97 -7.549 10.617 5.924 718 HB2 SER 97 1HB SER 97 -6.112 12.614 5.798 719 HB3 SER 97 2HB SER 97 -7.069 13.380 7.065 720 HG SER 97 HG SER 97 -6.412 11.719 8.474 721 HA PRO 98 HA PRO 98 -6.540 9.665 7.641 722 HB2 PRO 98 1HB PRO 98 -7.254 7.198 8.522 723 HB3 PRO 98 2HB PRO 98 -6.662 8.468 9.599 724 HG2 PRO 98 1HG PRO 98 -9.477 7.608 9.051 725 HG3 PRO 98 2HG PRO 98 -8.711 8.011 10.600 726 HD2 PRO 98 1HD PRO 98 -10.303 9.748 9.265 727 HD3 PRO 98 2HD PRO 98 -8.933 10.280 10.262 728 H VAL 99 H VAL 99 -5.980 7.964 6.149 729 HA VAL 99 HA VAL 99 -7.963 7.670 4.042 730 HB VAL 99 HB VAL 99 -5.135 6.639 3.970 731 HG11 VAL 99 1HG1 VAL 99 -5.854 5.900 1.993 732 HG12 VAL 99 2HG1 VAL 99 -7.344 6.841 2.095 733 HG13 VAL 99 3HG1 VAL 99 -5.868 7.587 1.482 734 HG21 VAL 99 1HG2 VAL 99 -4.681 8.852 2.762 735 HG22 VAL 99 2HG2 VAL 99 -6.152 9.432 3.544 736 HG23 VAL 99 3HG2 VAL 99 -4.789 8.888 4.522 737 H SER 100 H SER 100 -8.877 5.785 3.394 738 HA SER 100 HA SER 100 -8.423 3.455 5.121 739 HB2 SER 100 1HB SER 100 -10.626 2.727 4.556 740 HB3 SER 100 2HB SER 100 -10.744 4.455 4.893 741 HG SER 100 HG SER 100 -10.982 4.868 2.768 742 H ILE 101 H ILE 101 -7.021 2.046 4.310 743 HA ILE 101 HA ILE 101 -7.033 1.555 1.407 744 HB ILE 101 HB ILE 101 -4.827 1.106 3.420 745 HG12 ILE 101 1HG1 ILE 101 -5.010 2.985 1.055 746 HG13 ILE 101 2HG1 ILE 101 -5.190 3.458 2.740 747 HG21 ILE 101 1HG2 ILE 101 -3.470 0.286 1.636 748 HG22 ILE 101 2HG2 ILE 101 -4.969 -0.641 1.639 749 HG23 ILE 101 3HG2 ILE 101 -4.724 0.635 0.447 750 HD11 ILE 101 1HD1 ILE 101 -2.946 3.890 1.672 751 HD12 ILE 101 2HD1 ILE 101 -2.929 3.019 3.206 752 HD13 ILE 101 3HD1 ILE 101 -2.706 2.142 1.693 753 H MET 102 H MET 102 -7.042 -0.553 0.624 754 HA MET 102 HA MET 102 -7.884 -2.583 2.584 755 HB2 MET 102 1HB MET 102 -9.602 -2.001 0.927 756 HB3 MET 102 2HB MET 102 -8.492 -2.413 -0.374 757 HG2 MET 102 1HG MET 102 -9.711 -4.328 -0.266 758 HG3 MET 102 2HG MET 102 -8.416 -4.727 0.860 759 HE1 MET 102 1HE MET 102 -9.803 -5.430 4.003 760 HE2 MET 102 2HE MET 102 -10.073 -6.596 2.707 761 HE3 MET 102 3HE MET 102 -8.601 -5.622 2.725 762 H VAL 103 H VAL 103 -6.409 -4.073 3.016 763 HA VAL 103 HA VAL 103 -4.404 -4.723 0.960 764 HB VAL 103 HB VAL 103 -4.244 -5.156 3.947 765 HG11 VAL 103 1HG1 VAL 103 -2.994 -6.816 2.637 766 HG12 VAL 103 2HG1 VAL 103 -2.139 -5.510 1.814 767 HG13 VAL 103 3HG1 VAL 103 -1.923 -5.752 3.549 768 HG21 VAL 103 1HG2 VAL 103 -3.155 -3.190 4.169 769 HG22 VAL 103 2HG2 VAL 103 -2.390 -3.310 2.585 770 HG23 VAL 103 3HG2 VAL 103 -4.062 -2.765 2.718 771 H VAL 104 H VAL 104 -4.052 -6.814 0.343 772 HA VAL 104 HA VAL 104 -5.413 -8.990 1.704 773 HB VAL 104 HB VAL 104 -6.425 -9.815 -0.435 774 HG11 VAL 104 1HG1 VAL 104 -8.376 -8.310 -0.335 775 HG12 VAL 104 2HG1 VAL 104 -7.810 -8.792 1.266 776 HG13 VAL 104 3HG1 VAL 104 -7.434 -7.185 0.643 777 HG21 VAL 104 1HG2 VAL 104 -6.470 -7.098 -1.568 778 HG22 VAL 104 2HG2 VAL 104 -4.917 -7.930 -1.653 779 HG23 VAL 104 3HG2 VAL 104 -6.349 -8.664 -2.373 780 H GLN 105 H GLN 105 -4.511 -10.997 1.309 781 HA GLN 105 HA GLN 105 -1.817 -11.040 0.471 782 HB2 GLN 105 1HB GLN 105 -3.818 -13.150 1.201 783 HB3 GLN 105 2HB GLN 105 -2.259 -13.612 0.530 784 HG2 GLN 105 1HG GLN 105 -1.182 -12.277 2.355 785 HG3 GLN 105 2HG GLN 105 -2.784 -12.097 3.071 786 HE21 GLN 105 1HE2 GLN 105 -0.577 -14.590 1.857 787 HE22 GLN 105 2HE2 GLN 105 -0.967 -15.766 3.061 788 H SER 106 H SER 106 -1.468 -10.451 -1.617 789 HA SER 106 HA SER 106 -3.005 -11.030 -3.839 790 HB2 SER 106 1HB SER 106 0.010 -10.763 -3.739 791 HB3 SER 106 2HB SER 106 -0.997 -10.578 -5.175 792 HG SER 106 HG SER 106 -2.060 -8.842 -3.979 793 H GLU 107 H GLU 107 0.031 -12.717 -3.011 794 HA GLU 107 HA GLU 107 0.670 -14.891 -3.250 795 HB2 GLU 107 1HB GLU 107 -1.704 -15.225 -2.251 796 HB3 GLU 107 2HB GLU 107 -2.159 -15.670 -3.889 797 HG2 GLU 107 1HG GLU 107 -1.693 -17.688 -2.805 798 HG3 GLU 107 2HG GLU 107 -0.278 -17.360 -3.806 799 H ILE 108 H ILE 108 0.811 -13.143 -5.436 800 HA ILE 108 HA ILE 108 0.293 -14.963 -7.697 801 HB ILE 108 HB ILE 108 0.464 -11.947 -7.736 802 HG12 ILE 108 1HG1 ILE 108 -1.640 -12.832 -6.796 803 HG13 ILE 108 2HG1 ILE 108 -1.899 -12.027 -8.340 804 HG21 ILE 108 1HG2 ILE 108 1.194 -13.621 -9.755 805 HG22 ILE 108 2HG2 ILE 108 -0.512 -13.354 -10.112 806 HG23 ILE 108 3HG2 ILE 108 0.586 -11.980 -9.975 807 HD11 ILE 108 1HD1 ILE 108 -2.954 -13.836 -9.042 808 HD12 ILE 108 2HD1 ILE 108 -1.435 -14.727 -8.932 809 HD13 ILE 108 3HD1 ILE 108 -2.541 -14.696 -7.559 810 H GLY 109 H GLY 109 2.059 -15.841 -8.540 811 HA2 GLY 109 1HA GLY 109 4.478 -14.229 -8.824 812 HA3 GLY 109 2HA GLY 109 4.612 -15.695 -7.863 813 H ASP 110 H ASP 110 5.054 -14.440 -10.873 814 HA ASP 110 HA ASP 110 4.288 -16.772 -12.402 815 HB2 ASP 110 1HB ASP 110 4.057 -14.772 -13.613 816 HB3 ASP 110 2HB ASP 110 5.619 -14.161 -13.075 817 H SER 111 H SER 111 5.469 -18.539 -11.909 818 HA SER 111 HA SER 111 8.247 -18.460 -11.287 819 HB2 SER 111 1HB SER 111 8.124 -20.886 -11.264 820 HB3 SER 111 2HB SER 111 6.693 -20.228 -10.471 821 HG SER 111 HG SER 111 5.930 -21.748 -11.846 822 H GLY 112 H GLY 112 9.580 -17.707 -12.840 823 HA2 GLY 112 1HA GLY 112 10.164 -19.364 -15.079 824 HA3 GLY 112 2HA GLY 112 9.300 -17.920 -15.587 825 HA PRO 113 HA PRO 113 13.512 -16.474 -13.660 826 HB2 PRO 113 1HB PRO 113 15.379 -18.417 -13.324 827 HB3 PRO 113 2HB PRO 113 14.232 -17.957 -12.060 828 HG2 PRO 113 1HG PRO 113 14.127 -20.265 -13.963 829 HG3 PRO 113 2HG PRO 113 13.760 -20.227 -12.229 830 HD2 PRO 113 1HD PRO 113 11.830 -20.182 -14.127 831 HD3 PRO 113 2HD PRO 113 11.652 -19.358 -12.565 832 H SER 114 H SER 114 14.572 -15.465 -15.236 833 HA SER 114 HA SER 114 15.304 -16.972 -17.648 834 HB2 SER 114 1HB SER 114 15.459 -14.760 -18.744 835 HB3 SER 114 2HB SER 114 13.869 -15.028 -18.030 836 HG SER 114 HG SER 114 15.897 -13.703 -16.589 837 H SER 115 H SER 115 17.179 -17.891 -16.617 838 HA SER 115 HA SER 115 19.294 -16.175 -15.702 839 HB2 SER 115 1HB SER 115 18.979 -18.425 -14.752 840 HB3 SER 115 2HB SER 115 19.324 -19.138 -16.328 841 HG SER 115 HG SER 115 21.041 -18.319 -14.430 842 H GLY 116 H GLY 116 20.703 -15.145 -16.948 843 HA2 GLY 116 1HA GLY 116 21.168 -16.186 -19.674 844 HA3 GLY 116 2HA GLY 116 21.188 -14.478 -19.262 Start of MODEL 4 1 H1 GLY 1 H GLY 1 0.818 -21.530 5.621 2 HA2 GLY 1 1HA GLY 1 -0.078 -19.127 5.021 3 HA3 GLY 1 2HA GLY 1 -0.006 -18.968 6.770 4 H SER 2 H SER 2 1.909 -19.535 3.869 5 HA SER 2 HA SER 2 4.050 -17.935 4.800 6 HB2 SER 2 1HB SER 2 4.239 -20.261 6.042 7 HB3 SER 2 2HB SER 2 4.938 -20.778 4.507 8 HG SER 2 HG SER 2 6.585 -20.033 5.817 9 H SER 3 H SER 3 5.009 -17.112 3.060 10 HA SER 3 HA SER 3 4.315 -17.985 0.449 11 HB2 SER 3 1HB SER 3 6.173 -15.900 1.550 12 HB3 SER 3 2HB SER 3 6.210 -16.294 -0.169 13 HG SER 3 HG SER 3 4.637 -14.599 0.885 14 H GLY 4 H GLY 4 5.133 -19.667 -0.596 15 HA2 GLY 4 1HA GLY 4 7.965 -20.087 -0.775 16 HA3 GLY 4 2HA GLY 4 7.169 -21.315 0.196 17 H SER 5 H SER 5 6.707 -19.657 -2.929 18 HA SER 5 HA SER 5 6.694 -22.157 -4.341 19 HB2 SER 5 1HB SER 5 4.134 -20.696 -3.788 20 HB3 SER 5 2HB SER 5 4.332 -21.561 -5.312 21 HG SER 5 HG SER 5 3.621 -22.578 -3.021 22 H SER 6 H SER 6 6.170 -21.779 -6.716 23 HA SER 6 HA SER 6 7.546 -19.344 -7.537 24 HB2 SER 6 1HB SER 6 7.383 -20.537 -9.839 25 HB3 SER 6 2HB SER 6 8.468 -21.205 -8.620 26 HG SER 6 HG SER 6 5.800 -22.085 -9.002 27 H GLY 7 H GLY 7 4.471 -20.031 -6.865 28 HA2 GLY 7 1HA GLY 7 2.431 -19.188 -7.502 29 HA3 GLY 7 2HA GLY 7 3.352 -17.814 -8.095 30 H ILE 8 H ILE 8 2.943 -21.208 -9.113 31 HA ILE 8 HA ILE 8 3.086 -20.532 -11.879 32 HB ILE 8 HB ILE 8 2.406 -22.887 -12.271 33 HG12 ILE 8 1HG1 ILE 8 2.584 -23.406 -9.334 34 HG13 ILE 8 2HG1 ILE 8 1.062 -22.812 -9.991 35 HG21 ILE 8 1HG2 ILE 8 4.729 -21.979 -10.766 36 HG22 ILE 8 2HG2 ILE 8 4.400 -23.698 -10.563 37 HG23 ILE 8 3HG2 ILE 8 4.634 -23.031 -12.178 38 HD11 ILE 8 1HD1 ILE 8 1.914 -24.911 -11.662 39 HD12 ILE 8 2HD1 ILE 8 2.109 -25.456 -9.996 40 HD13 ILE 8 3HD1 ILE 8 0.540 -24.879 -10.557 41 HA PRO 9 HA PRO 9 -1.095 -19.477 -12.738 42 HB2 PRO 9 1HB PRO 9 -1.239 -20.227 -15.344 43 HB3 PRO 9 2HB PRO 9 -0.351 -18.797 -14.803 44 HG2 PRO 9 1HG PRO 9 0.681 -21.525 -15.475 45 HG3 PRO 9 2HG PRO 9 1.351 -19.940 -15.901 46 HD2 PRO 9 1HD PRO 9 2.326 -21.433 -13.863 47 HD3 PRO 9 2HD PRO 9 2.331 -19.658 -13.834 48 H GLY 10 H GLY 10 -2.818 -20.555 -12.017 49 HA2 GLY 10 1HA GLY 10 -3.285 -23.282 -13.044 50 HA3 GLY 10 2HA GLY 10 -3.470 -22.916 -11.335 51 H SER 11 H SER 11 -5.581 -23.063 -10.920 52 HA SER 11 HA SER 11 -7.398 -21.405 -12.528 53 HB2 SER 11 1HB SER 11 -7.884 -24.258 -11.645 54 HB3 SER 11 2HB SER 11 -9.139 -23.197 -12.284 55 HG SER 11 HG SER 11 -6.764 -23.964 -13.640 56 HA PRO 12 HA PRO 12 -8.664 -19.847 -8.607 57 HB2 PRO 12 1HB PRO 12 -11.060 -18.797 -9.333 58 HB3 PRO 12 2HB PRO 12 -9.515 -18.057 -9.768 59 HG2 PRO 12 1HG PRO 12 -11.308 -19.806 -11.409 60 HG3 PRO 12 2HG PRO 12 -10.445 -18.331 -11.882 61 HD2 PRO 12 1HD PRO 12 -9.539 -20.807 -12.495 62 HD3 PRO 12 2HD PRO 12 -8.448 -19.443 -12.179 63 H PHE 13 H PHE 13 -10.661 -19.866 -7.161 64 HA PHE 13 HA PHE 13 -11.933 -22.517 -7.326 65 HB2 PHE 13 1HB PHE 13 -10.897 -20.924 -5.013 66 HB3 PHE 13 2HB PHE 13 -12.222 -22.055 -4.755 67 HD1 PHE 13 1HD PHE 13 -8.745 -21.802 -6.006 68 HD2 PHE 13 2HD PHE 13 -11.817 -24.342 -4.514 69 HE1 PHE 13 1HE PHE 13 -7.128 -23.647 -5.827 70 HE2 PHE 13 2HE PHE 13 -10.204 -26.191 -4.332 71 HZ PHE 13 HZ PHE 13 -7.856 -25.845 -4.989 72 H THR 14 H THR 14 -12.463 -19.222 -6.087 73 HA THR 14 HA THR 14 -15.321 -19.623 -5.967 74 HB THR 14 HB THR 14 -15.406 -17.245 -5.268 75 HG1 THR 14 1HG THR 14 -12.566 -17.371 -5.519 76 HG21 THR 14 1HG2 THR 14 -13.594 -17.699 -3.300 77 HG22 THR 14 2HG2 THR 14 -13.840 -19.335 -3.909 78 HG23 THR 14 3HG2 THR 14 -15.214 -18.392 -3.333 79 H ALA 15 H ALA 15 -16.851 -18.818 -7.333 80 HA ALA 15 HA ALA 15 -15.917 -17.970 -9.957 81 HB1 ALA 15 1HB ALA 15 -18.812 -18.206 -9.483 82 HB2 ALA 15 2HB ALA 15 -17.815 -18.848 -10.789 83 HB3 ALA 15 3HB ALA 15 -17.877 -19.681 -9.236 84 H LYS 16 H LYS 16 -15.346 -15.844 -9.837 85 HA LYS 16 HA LYS 16 -16.324 -13.785 -8.394 86 HB2 LYS 16 1HB LYS 16 -15.811 -12.308 -10.390 87 HB3 LYS 16 2HB LYS 16 -14.507 -13.358 -9.851 88 HG2 LYS 16 1HG LYS 16 -15.190 -14.971 -11.642 89 HG3 LYS 16 2HG LYS 16 -16.290 -13.728 -12.244 90 HD2 LYS 16 1HD LYS 16 -13.338 -13.271 -11.860 91 HD3 LYS 16 2HD LYS 16 -14.036 -13.846 -13.377 92 HE2 LYS 16 1HE LYS 16 -15.528 -11.812 -13.319 93 HE3 LYS 16 2HE LYS 16 -14.536 -11.224 -11.985 94 HZ1 LYS 16 1HZ LYS 16 -12.618 -11.228 -13.405 95 HZ2 LYS 16 2HZ LYS 16 -13.848 -10.344 -14.157 96 HZ3 LYS 16 3HZ LYS 16 -13.496 -11.914 -14.679 97 H ILE 17 H ILE 17 -18.379 -13.324 -7.947 98 HA ILE 17 HA ILE 17 -20.578 -13.912 -9.596 99 HB ILE 17 HB ILE 17 -21.805 -12.257 -8.094 100 HG12 ILE 17 1HG1 ILE 17 -19.224 -12.329 -6.529 101 HG13 ILE 17 2HG1 ILE 17 -19.679 -10.979 -7.563 102 HG21 ILE 17 1HG2 ILE 17 -21.780 -14.671 -7.711 103 HG22 ILE 17 2HG2 ILE 17 -20.279 -14.513 -6.801 104 HG23 ILE 17 3HG2 ILE 17 -21.762 -13.781 -6.189 105 HD11 ILE 17 1HD1 ILE 17 -21.779 -11.714 -5.702 106 HD12 ILE 17 2HD1 ILE 17 -20.276 -11.257 -4.901 107 HD13 ILE 17 3HD1 ILE 17 -21.047 -10.143 -6.030 108 H THR 18 H THR 18 -18.385 -11.258 -9.568 109 HA THR 18 HA THR 18 -18.294 -9.275 -10.700 110 HB THR 18 HB THR 18 -19.947 -10.453 -12.894 111 HG1 THR 18 1HG THR 18 -18.645 -12.102 -13.139 112 HG21 THR 18 1HG2 THR 18 -17.253 -9.100 -12.966 113 HG22 THR 18 2HG2 THR 18 -18.781 -8.222 -13.035 114 HG23 THR 18 3HG2 THR 18 -18.363 -9.369 -14.308 115 H ASP 19 H ASP 19 -20.338 -9.255 -8.849 116 HA ASP 19 HA ASP 19 -22.498 -7.827 -10.259 117 HB2 ASP 19 1HB ASP 19 -23.064 -9.947 -8.925 118 HB3 ASP 19 2HB ASP 19 -22.733 -8.985 -7.487 119 H ASP 20 H ASP 20 -20.741 -7.888 -7.158 120 HA ASP 20 HA ASP 20 -21.528 -5.366 -6.258 121 HB2 ASP 20 1HB ASP 20 -18.777 -6.353 -5.641 122 HB3 ASP 20 2HB ASP 20 -19.975 -5.630 -4.571 123 H SER 21 H SER 21 -18.494 -6.270 -7.903 124 HA SER 21 HA SER 21 -16.965 -5.035 -9.054 125 HB2 SER 21 1HB SER 21 -17.824 -3.634 -10.771 126 HB3 SER 21 2HB SER 21 -19.048 -4.877 -10.518 127 HG SER 21 HG SER 21 -20.319 -3.430 -9.480 128 H ARG 22 H ARG 22 -17.635 -4.242 -6.279 129 HA ARG 22 HA ARG 22 -17.534 -1.402 -6.101 130 HB2 ARG 22 1HB ARG 22 -16.922 -3.564 -4.080 131 HB3 ARG 22 2HB ARG 22 -16.948 -1.846 -3.702 132 HG2 ARG 22 1HG ARG 22 -19.307 -1.750 -4.378 133 HG3 ARG 22 2HG ARG 22 -19.270 -3.485 -4.695 134 HD2 ARG 22 1HD ARG 22 -18.808 -3.948 -2.378 135 HD3 ARG 22 2HD ARG 22 -18.648 -2.228 -2.027 136 HE ARG 22 HE ARG 22 -21.201 -2.768 -3.109 137 HH11 ARG 22 1HH1 ARG 22 -19.322 -3.182 -0.207 138 HH12 ARG 22 2HH1 ARG 22 -20.701 -3.184 0.841 139 HH21 ARG 22 1HH2 ARG 22 -23.024 -2.770 -1.739 140 HH22 ARG 22 2HH2 ARG 22 -22.806 -2.951 -0.030 141 H ARG 23 H ARG 23 -15.644 -0.520 -4.575 142 HA ARG 23 HA ARG 23 -13.264 -0.726 -6.184 143 HB2 ARG 23 1HB ARG 23 -14.221 1.399 -5.105 144 HB3 ARG 23 2HB ARG 23 -13.517 0.807 -3.606 145 HG2 ARG 23 1HG ARG 23 -11.815 1.031 -6.044 146 HG3 ARG 23 2HG ARG 23 -12.201 2.473 -5.103 147 HD2 ARG 23 1HD ARG 23 -11.067 -0.024 -3.868 148 HD3 ARG 23 2HD ARG 23 -10.050 1.268 -4.507 149 HE ARG 23 HE ARG 23 -11.399 1.256 -2.018 150 HH11 ARG 23 1HH1 ARG 23 -10.521 3.352 -4.656 151 HH12 ARG 23 2HH1 ARG 23 -10.494 4.784 -3.681 152 HH21 ARG 23 1HH2 ARG 23 -11.366 3.134 -0.723 153 HH22 ARG 23 2HH2 ARG 23 -10.975 4.659 -1.444 154 H CYS 24 H CYS 24 -11.408 -1.763 -5.719 155 HA CYS 24 HA CYS 24 -10.758 -2.633 -3.058 156 HB2 CYS 24 1HB CYS 24 -10.794 -5.009 -3.455 157 HB3 CYS 24 2HB CYS 24 -12.389 -4.367 -3.823 158 HG CYS 24 HG CYS 24 -11.288 -6.466 -5.606 159 H SER 25 H SER 25 -8.604 -2.917 -2.816 160 HA SER 25 HA SER 25 -6.968 -2.918 -5.269 161 HB2 SER 25 1HB SER 25 -6.348 -1.566 -2.631 162 HB3 SER 25 2HB SER 25 -5.293 -1.589 -4.044 163 HG SER 25 HG SER 25 -6.381 0.287 -4.222 164 H GLN 26 H GLN 26 -5.540 -4.517 -5.475 165 HA GLN 26 HA GLN 26 -5.223 -6.383 -3.252 166 HB2 GLN 26 1HB GLN 26 -5.784 -6.946 -5.772 167 HB3 GLN 26 2HB GLN 26 -4.037 -6.867 -5.949 168 HG2 GLN 26 1HG GLN 26 -3.681 -8.735 -4.692 169 HG3 GLN 26 2HG GLN 26 -5.148 -8.510 -3.742 170 HE21 GLN 26 1HE2 GLN 26 -4.003 -10.802 -5.322 171 HE22 GLN 26 2HE2 GLN 26 -5.302 -11.313 -6.337 172 H VAL 27 H VAL 27 -3.543 -6.156 -1.946 173 HA VAL 27 HA VAL 27 -1.012 -5.143 -3.071 174 HB VAL 27 HB VAL 27 -1.591 -4.861 -0.158 175 HG11 VAL 27 1HG1 VAL 27 0.203 -3.532 -0.192 176 HG12 VAL 27 2HG1 VAL 27 0.498 -4.164 -1.813 177 HG13 VAL 27 3HG1 VAL 27 -0.377 -2.646 -1.602 178 HG21 VAL 27 1HG2 VAL 27 -3.618 -4.015 -1.229 179 HG22 VAL 27 2HG2 VAL 27 -2.676 -2.702 -0.523 180 HG23 VAL 27 3HG2 VAL 27 -2.642 -2.973 -2.265 181 H LYS 28 H LYS 28 0.935 -5.995 -2.189 182 HA LYS 28 HA LYS 28 0.646 -8.763 -1.315 183 HB2 LYS 28 1HB LYS 28 3.162 -7.278 -2.094 184 HB3 LYS 28 2HB LYS 28 2.980 -9.017 -1.904 185 HG2 LYS 28 1HG LYS 28 1.577 -7.346 -3.980 186 HG3 LYS 28 2HG LYS 28 3.026 -8.316 -4.257 187 HD2 LYS 28 1HD LYS 28 1.501 -10.219 -3.223 188 HD3 LYS 28 2HD LYS 28 0.211 -9.173 -3.820 189 HE2 LYS 28 1HE LYS 28 0.639 -10.650 -5.586 190 HE3 LYS 28 2HE LYS 28 1.480 -9.167 -6.035 191 HZ1 LYS 28 1HZ LYS 28 2.917 -11.284 -4.580 192 HZ2 LYS 28 2HZ LYS 28 3.528 -10.098 -5.619 193 HZ3 LYS 28 3HZ LYS 28 2.685 -11.422 -6.250 194 H LEU 29 H LEU 29 1.310 -9.538 0.623 195 HA LEU 29 HA LEU 29 1.764 -7.632 2.731 196 HB2 LEU 29 1HB LEU 29 0.451 -9.909 2.734 197 HB3 LEU 29 2HB LEU 29 2.035 -10.573 3.130 198 HG LEU 29 HG LEU 29 2.079 -8.961 5.081 199 HD11 LEU 29 1HD1 LEU 29 -0.180 -8.227 5.855 200 HD12 LEU 29 2HD1 LEU 29 -0.803 -8.656 4.262 201 HD13 LEU 29 3HD1 LEU 29 0.412 -7.388 4.421 202 HD21 LEU 29 1HD2 LEU 29 0.779 -10.414 6.486 203 HD22 LEU 29 2HD2 LEU 29 1.586 -11.386 5.256 204 HD23 LEU 29 3HD2 LEU 29 -0.131 -11.012 5.099 205 H GLY 30 H GLY 30 3.608 -7.302 3.911 206 HA2 GLY 30 1HA GLY 30 5.841 -7.360 4.465 207 HA3 GLY 30 2HA GLY 30 5.919 -8.951 3.723 208 H SER 31 H SER 31 4.741 -6.332 1.815 209 HA SER 31 HA SER 31 7.366 -5.962 0.563 210 HB2 SER 31 1HB SER 31 4.815 -6.668 -0.904 211 HB3 SER 31 2HB SER 31 6.303 -6.134 -1.687 212 HG SER 31 HG SER 31 5.644 -8.586 -0.943 213 H ALA 32 H ALA 32 7.781 -3.918 -0.072 214 HA ALA 32 HA ALA 32 6.051 -1.828 0.780 215 HB1 ALA 32 1HB ALA 32 7.733 -0.320 -0.103 216 HB2 ALA 32 2HB ALA 32 8.502 -1.629 0.797 217 HB3 ALA 32 3HB ALA 32 8.504 -1.651 -0.966 218 H ALA 33 H ALA 33 4.196 -1.440 -0.254 219 HA ALA 33 HA ALA 33 4.234 -1.363 -3.201 220 HB1 ALA 33 1HB ALA 33 2.740 -3.063 -2.633 221 HB2 ALA 33 2HB ALA 33 2.073 -2.151 -1.277 222 HB3 ALA 33 3HB ALA 33 1.704 -1.666 -2.931 223 H ASP 34 H ASP 34 3.463 0.419 -4.245 224 HA ASP 34 HA ASP 34 3.245 2.840 -2.694 225 HB2 ASP 34 1HB ASP 34 2.811 3.789 -5.097 226 HB3 ASP 34 2HB ASP 34 4.421 3.231 -4.651 227 H PHE 35 H PHE 35 1.477 4.368 -2.947 228 HA PHE 35 HA PHE 35 -1.092 3.150 -3.670 229 HB2 PHE 35 1HB PHE 35 -0.452 4.537 -1.063 230 HB3 PHE 35 2HB PHE 35 -2.094 4.232 -1.622 231 HD1 PHE 35 2HD PHE 35 -2.974 1.963 -1.722 232 HD2 PHE 35 1HD PHE 35 0.934 2.763 -0.237 233 HE1 PHE 35 2HE PHE 35 -2.899 -0.282 -0.717 234 HE2 PHE 35 1HE PHE 35 1.015 0.519 0.769 235 HZ PHE 35 HZ PHE 35 -0.903 -1.006 0.530 236 H LEU 36 H LEU 36 -2.178 4.413 -5.018 237 HA LEU 36 HA LEU 36 -1.381 7.205 -5.309 238 HB2 LEU 36 1HB LEU 36 -1.751 5.428 -7.201 239 HB3 LEU 36 2HB LEU 36 -3.442 5.889 -7.018 240 HG LEU 36 HG LEU 36 -2.551 8.306 -7.366 241 HD11 LEU 36 1HD1 LEU 36 -0.269 6.613 -8.323 242 HD12 LEU 36 2HD1 LEU 36 -0.232 8.045 -7.293 243 HD13 LEU 36 3HD1 LEU 36 -0.595 8.203 -9.012 244 HD21 LEU 36 1HD2 LEU 36 -2.623 7.907 -9.878 245 HD22 LEU 36 2HD2 LEU 36 -4.030 7.392 -8.947 246 HD23 LEU 36 3HD2 LEU 36 -2.848 6.201 -9.490 247 H LEU 37 H LEU 37 -2.373 8.505 -3.889 248 HA LEU 37 HA LEU 37 -5.291 8.237 -3.582 249 HB2 LEU 37 1HB LEU 37 -5.158 8.850 -1.379 250 HB3 LEU 37 2HB LEU 37 -3.664 7.934 -1.572 251 HG LEU 37 HG LEU 37 -3.759 10.937 -1.763 252 HD11 LEU 37 1HD1 LEU 37 -3.269 11.135 0.516 253 HD12 LEU 37 2HD1 LEU 37 -2.964 9.408 0.694 254 HD13 LEU 37 3HD1 LEU 37 -4.610 9.992 0.448 255 HD21 LEU 37 1HD2 LEU 37 -1.363 10.705 -1.225 256 HD22 LEU 37 2HD2 LEU 37 -1.800 9.906 -2.735 257 HD23 LEU 37 3HD2 LEU 37 -1.542 8.951 -1.275 258 H ASP 38 H ASP 38 -6.572 10.029 -3.817 259 HA ASP 38 HA ASP 38 -5.336 12.293 -5.171 260 HB2 ASP 38 1HB ASP 38 -8.232 11.525 -4.762 261 HB3 ASP 38 2HB ASP 38 -7.702 12.961 -5.635 262 H ILE 39 H ILE 39 -4.454 13.676 -3.735 263 HA ILE 39 HA ILE 39 -6.251 14.788 -1.683 264 HB ILE 39 HB ILE 39 -4.117 15.217 -0.339 265 HG12 ILE 39 1HG1 ILE 39 -3.006 12.825 -1.751 266 HG13 ILE 39 2HG1 ILE 39 -2.753 14.420 -2.452 267 HG21 ILE 39 1HG2 ILE 39 -4.834 12.312 -0.600 268 HG22 ILE 39 2HG2 ILE 39 -4.368 13.204 0.848 269 HG23 ILE 39 3HG2 ILE 39 -5.938 13.497 0.100 270 HD11 ILE 39 1HD1 ILE 39 -1.057 14.751 -1.081 271 HD12 ILE 39 2HD1 ILE 39 -2.123 14.553 0.310 272 HD13 ILE 39 3HD1 ILE 39 -1.309 13.151 -0.384 273 H SER 40 H SER 40 -6.321 16.968 -1.528 274 HA SER 40 HA SER 40 -5.011 18.488 -3.613 275 HB2 SER 40 1HB SER 40 -7.188 19.011 -1.636 276 HB3 SER 40 2HB SER 40 -6.333 20.391 -2.323 277 HG SER 40 HG SER 40 -8.067 19.926 -3.642 278 H GLU 41 H GLU 41 -3.292 17.373 -1.601 279 HA GLU 41 HA GLU 41 -2.166 19.868 -0.524 280 HB2 GLU 41 1HB GLU 41 -2.275 17.193 0.882 281 HB3 GLU 41 2HB GLU 41 -1.404 18.604 1.466 282 HG2 GLU 41 1HG GLU 41 -4.379 18.448 1.039 283 HG3 GLU 41 2HG GLU 41 -3.555 18.301 2.591 284 H THR 42 H THR 42 -0.241 20.243 -1.376 285 HA THR 42 HA THR 42 1.272 18.049 -2.564 286 HB THR 42 HB THR 42 0.994 20.013 -3.955 287 HG1 THR 42 1HG THR 42 3.417 20.577 -4.003 288 HG21 THR 42 1HG2 THR 42 1.998 22.173 -3.323 289 HG22 THR 42 2HG2 THR 42 2.390 21.512 -1.735 290 HG23 THR 42 3HG2 THR 42 0.706 21.699 -2.222 291 H ASP 43 H ASP 43 1.693 20.635 -0.173 292 HA ASP 43 HA ASP 43 4.334 20.234 0.518 293 HB2 ASP 43 1HB ASP 43 2.497 21.929 1.393 294 HB3 ASP 43 2HB ASP 43 2.365 20.756 2.702 295 H LEU 44 H LEU 44 5.323 18.408 1.048 296 HA LEU 44 HA LEU 44 3.899 16.180 2.179 297 HB2 LEU 44 1HB LEU 44 6.651 16.693 1.192 298 HB3 LEU 44 2HB LEU 44 6.421 15.359 2.319 299 HG LEU 44 HG LEU 44 4.513 14.729 0.575 300 HD11 LEU 44 1HD1 LEU 44 4.548 16.058 -1.212 301 HD12 LEU 44 2HD1 LEU 44 6.042 15.235 -1.656 302 HD13 LEU 44 3HD1 LEU 44 6.105 16.757 -0.768 303 HD21 LEU 44 1HD2 LEU 44 6.164 13.253 -0.523 304 HD22 LEU 44 2HD2 LEU 44 6.306 13.254 1.236 305 HD23 LEU 44 3HD2 LEU 44 7.458 14.165 0.257 306 H SER 45 H SER 45 6.774 18.000 3.257 307 HA SER 45 HA SER 45 7.042 16.987 5.782 308 HB2 SER 45 1HB SER 45 8.662 18.549 4.921 309 HB3 SER 45 2HB SER 45 7.458 19.834 4.846 310 HG SER 45 HG SER 45 8.088 20.294 6.789 311 H SER 46 H SER 46 5.018 19.764 4.851 312 HA SER 46 HA SER 46 3.994 20.413 7.334 313 HB2 SER 46 1HB SER 46 3.632 21.467 4.935 314 HB3 SER 46 2HB SER 46 2.163 20.490 4.970 315 HG SER 46 HG SER 46 2.804 22.763 6.378 316 H LEU 47 H LEU 47 3.070 17.823 5.159 317 HA LEU 47 HA LEU 47 0.794 17.074 6.794 318 HB2 LEU 47 1HB LEU 47 2.009 15.787 4.355 319 HB3 LEU 47 2HB LEU 47 0.537 15.240 5.155 320 HG LEU 47 HG LEU 47 0.891 17.925 3.823 321 HD11 LEU 47 1HD1 LEU 47 0.003 15.287 2.833 322 HD12 LEU 47 2HD1 LEU 47 0.750 16.634 1.974 323 HD13 LEU 47 3HD1 LEU 47 -0.970 16.680 2.359 324 HD21 LEU 47 1HD2 LEU 47 -1.137 16.790 5.580 325 HD22 LEU 47 2HD2 LEU 47 -1.795 17.375 4.051 326 HD23 LEU 47 3HD2 LEU 47 -0.870 18.463 5.088 327 H THR 48 H THR 48 0.568 14.852 7.600 328 HA THR 48 HA THR 48 3.150 13.811 8.571 329 HB THR 48 HB THR 48 0.478 13.427 9.924 330 HG1 THR 48 1HG THR 48 0.837 15.582 10.131 331 HG21 THR 48 1HG2 THR 48 3.338 13.005 10.790 332 HG22 THR 48 2HG2 THR 48 2.088 11.778 10.581 333 HG23 THR 48 3HG2 THR 48 1.960 12.954 11.888 334 H ALA 49 H ALA 49 3.305 11.503 8.894 335 HA ALA 49 HA ALA 49 1.422 9.933 7.264 336 HB1 ALA 49 1HB ALA 49 3.200 8.712 6.243 337 HB2 ALA 49 2HB ALA 49 3.536 10.429 6.025 338 HB3 ALA 49 3HB ALA 49 4.405 9.511 7.254 339 H SER 50 H SER 50 0.521 8.389 8.441 340 HA SER 50 HA SER 50 2.120 6.798 10.263 341 HB2 SER 50 1HB SER 50 -0.023 8.680 11.172 342 HB3 SER 50 2HB SER 50 0.179 7.144 12.015 343 HG SER 50 HG SER 50 2.384 8.830 11.518 344 H ILE 51 H ILE 51 1.385 4.739 10.455 345 HA ILE 51 HA ILE 51 -1.303 4.113 9.463 346 HB ILE 51 HB ILE 51 1.254 2.835 8.504 347 HG12 ILE 51 1HG1 ILE 51 -1.023 4.269 7.128 348 HG13 ILE 51 2HG1 ILE 51 0.655 4.787 7.235 349 HG21 ILE 51 1HG2 ILE 51 0.170 0.898 8.383 350 HG22 ILE 51 2HG2 ILE 51 -1.342 1.647 8.894 351 HG23 ILE 51 3HG2 ILE 51 -0.894 1.640 7.189 352 HD11 ILE 51 1HD1 ILE 51 -0.629 2.940 5.379 353 HD12 ILE 51 2HD1 ILE 51 0.833 3.910 5.195 354 HD13 ILE 51 3HD1 ILE 51 0.903 2.360 6.034 355 H LYS 52 H LYS 52 -2.343 2.620 10.641 356 HA LYS 52 HA LYS 52 -0.783 0.894 12.433 357 HB2 LYS 52 1HB LYS 52 -1.590 2.798 13.753 358 HB3 LYS 52 2HB LYS 52 -3.235 2.479 13.222 359 HG2 LYS 52 1HG LYS 52 -3.300 1.456 15.243 360 HG3 LYS 52 2HG LYS 52 -2.725 0.102 14.266 361 HD2 LYS 52 1HD LYS 52 -0.620 0.187 15.143 362 HD3 LYS 52 2HD LYS 52 -0.687 1.929 15.419 363 HE2 LYS 52 1HE LYS 52 -2.500 0.192 17.008 364 HE3 LYS 52 2HE LYS 52 -0.784 0.181 17.411 365 HZ1 LYS 52 1HZ LYS 52 -0.819 2.416 17.969 366 HZ2 LYS 52 2HZ LYS 52 -2.294 1.859 18.581 367 HZ3 LYS 52 3HZ LYS 52 -2.254 2.724 17.128 368 H ALA 53 H ALA 53 -1.165 -1.037 11.508 369 HA ALA 53 HA ALA 53 -3.264 -1.915 10.024 370 HB1 ALA 53 1HB ALA 53 -2.580 -4.098 11.683 371 HB2 ALA 53 2HB ALA 53 -2.005 -3.740 10.053 372 HB3 ALA 53 3HB ALA 53 -1.120 -3.135 11.453 373 HA PRO 54 HA PRO 54 -6.868 -2.491 12.460 374 HB2 PRO 54 1HB PRO 54 -7.706 -4.999 11.844 375 HB3 PRO 54 2HB PRO 54 -7.808 -3.646 10.711 376 HG2 PRO 54 1HG PRO 54 -5.763 -5.826 10.881 377 HG3 PRO 54 2HG PRO 54 -6.551 -5.142 9.447 378 HD2 PRO 54 1HD PRO 54 -4.050 -4.439 10.211 379 HD3 PRO 54 2HD PRO 54 -5.153 -3.308 9.401 380 H SER 55 H SER 55 -4.268 -4.727 12.898 381 HA SER 55 HA SER 55 -5.440 -5.800 15.355 382 HB2 SER 55 1HB SER 55 -4.214 -7.214 13.551 383 HB3 SER 55 2HB SER 55 -2.740 -6.568 14.274 384 HG SER 55 HG SER 55 -4.483 -8.460 15.226 385 H GLY 56 H GLY 56 -4.019 -3.051 14.670 386 HA2 GLY 56 1HA GLY 56 -3.068 -1.483 16.086 387 HA3 GLY 56 2HA GLY 56 -2.945 -2.726 17.323 388 H ARG 57 H ARG 57 -1.640 -3.339 14.175 389 HA ARG 57 HA ARG 57 1.052 -3.290 15.334 390 HB2 ARG 57 1HB ARG 57 0.123 -4.548 12.747 391 HB3 ARG 57 2HB ARG 57 1.700 -4.744 13.498 392 HG2 ARG 57 1HG ARG 57 -0.783 -5.532 14.964 393 HG3 ARG 57 2HG ARG 57 -0.067 -6.605 13.761 394 HD2 ARG 57 1HD ARG 57 2.111 -6.343 15.020 395 HD3 ARG 57 2HD ARG 57 1.175 -5.568 16.297 396 HE ARG 57 HE ARG 57 -0.031 -8.015 15.703 397 HH11 ARG 57 1HH1 ARG 57 2.934 -6.795 17.058 398 HH12 ARG 57 2HH1 ARG 57 3.194 -8.178 18.068 399 HH21 ARG 57 1HH2 ARG 57 0.300 -9.841 17.029 400 HH22 ARG 57 2HH2 ARG 57 1.696 -9.911 18.051 401 H ASP 58 H ASP 58 2.236 -1.547 14.956 402 HA ASP 58 HA ASP 58 1.593 0.423 13.040 403 HB2 ASP 58 1HB ASP 58 2.808 1.322 14.776 404 HB3 ASP 58 2HB ASP 58 3.873 -0.076 14.896 405 H GLU 59 H GLU 59 2.831 1.105 11.199 406 HA GLU 59 HA GLU 59 4.548 -0.940 9.995 407 HB2 GLU 59 1HB GLU 59 2.360 0.404 8.417 408 HB3 GLU 59 2HB GLU 59 3.377 -0.941 7.923 409 HG2 GLU 59 1HG GLU 59 1.352 -1.059 10.144 410 HG3 GLU 59 2HG GLU 59 1.062 -1.592 8.489 411 HA PRO 60 HA PRO 60 7.043 2.531 8.952 412 HB2 PRO 60 1HB PRO 60 8.493 1.431 6.938 413 HB3 PRO 60 2HB PRO 60 8.747 1.022 8.638 414 HG2 PRO 60 1HG PRO 60 7.217 -0.466 6.540 415 HG3 PRO 60 2HG PRO 60 8.329 -1.094 7.769 416 HD2 PRO 60 1HD PRO 60 5.638 -1.209 8.043 417 HD3 PRO 60 2HD PRO 60 6.731 -1.024 9.430 418 H CYS 61 H CYS 61 5.692 4.079 8.092 419 HA CYS 61 HA CYS 61 5.039 3.849 5.233 420 HB2 CYS 61 1HB CYS 61 3.360 5.655 5.716 421 HB3 CYS 61 2HB CYS 61 3.053 4.132 6.543 422 HG CYS 61 HG CYS 61 2.435 6.366 8.193 423 H LEU 62 H LEU 62 5.528 5.511 3.815 424 HA LEU 62 HA LEU 62 7.021 7.806 4.835 425 HB2 LEU 62 1HB LEU 62 8.471 5.745 4.069 426 HB3 LEU 62 2HB LEU 62 8.125 6.383 2.463 427 HG LEU 62 HG LEU 62 10.301 7.129 3.310 428 HD11 LEU 62 1HD1 LEU 62 10.080 9.416 2.723 429 HD12 LEU 62 2HD1 LEU 62 8.384 9.446 3.208 430 HD13 LEU 62 3HD1 LEU 62 8.877 8.529 1.784 431 HD21 LEU 62 1HD2 LEU 62 9.208 7.231 5.743 432 HD22 LEU 62 2HD2 LEU 62 9.044 8.929 5.296 433 HD23 LEU 62 3HD2 LEU 62 10.635 8.166 5.297 434 H LEU 63 H LEU 63 6.429 9.629 3.852 435 HA LEU 63 HA LEU 63 4.687 9.452 1.521 436 HB2 LEU 63 1HB LEU 63 5.249 11.500 3.603 437 HB3 LEU 63 2HB LEU 63 4.648 12.044 2.038 438 HG LEU 63 HG LEU 63 3.232 10.021 3.768 439 HD11 LEU 63 1HD1 LEU 63 3.336 12.122 4.962 440 HD12 LEU 63 2HD1 LEU 63 1.705 11.863 4.343 441 HD13 LEU 63 3HD1 LEU 63 2.786 12.994 3.530 442 HD21 LEU 63 1HD2 LEU 63 2.128 9.686 1.855 443 HD22 LEU 63 2HD2 LEU 63 2.819 11.121 1.098 444 HD23 LEU 63 3HD2 LEU 63 1.407 11.268 2.145 445 H LYS 64 H LYS 64 5.242 10.076 -0.477 446 HA LYS 64 HA LYS 64 7.621 11.730 -0.868 447 HB2 LYS 64 1HB LYS 64 8.451 10.207 -2.636 448 HB3 LYS 64 2HB LYS 64 8.475 9.472 -1.038 449 HG2 LYS 64 1HG LYS 64 6.353 8.321 -1.583 450 HG3 LYS 64 2HG LYS 64 6.457 8.983 -3.217 451 HD2 LYS 64 1HD LYS 64 7.348 6.803 -3.358 452 HD3 LYS 64 2HD LYS 64 8.743 7.884 -3.356 453 HE2 LYS 64 1HE LYS 64 8.654 7.490 -0.767 454 HE3 LYS 64 2HE LYS 64 7.756 6.043 -1.223 455 HZ1 LYS 64 1HZ LYS 64 10.300 5.914 -0.992 456 HZ2 LYS 64 2HZ LYS 64 10.334 6.656 -2.511 457 HZ3 LYS 64 3HZ LYS 64 9.567 5.161 -2.318 458 H ARG 65 H ARG 65 7.843 12.305 -3.267 459 HA ARG 65 HA ARG 65 5.194 13.097 -4.214 460 HB2 ARG 65 1HB ARG 65 6.697 14.929 -4.046 461 HB3 ARG 65 2HB ARG 65 7.979 14.045 -4.861 462 HG2 ARG 65 1HG ARG 65 7.137 15.629 -6.401 463 HG3 ARG 65 2HG ARG 65 6.547 14.049 -6.917 464 HD2 ARG 65 1HD ARG 65 4.389 14.493 -5.905 465 HD3 ARG 65 2HD ARG 65 4.974 16.037 -5.284 466 HE ARG 65 HE ARG 65 4.062 15.480 -7.941 467 HH11 ARG 65 1HH1 ARG 65 6.150 17.501 -6.025 468 HH12 ARG 65 2HH1 ARG 65 6.137 18.813 -7.157 469 HH21 ARG 65 1HH2 ARG 65 4.035 17.200 -9.439 470 HH22 ARG 65 2HH2 ARG 65 4.932 18.640 -9.098 471 H LEU 66 H LEU 66 4.261 12.242 -5.961 472 HA LEU 66 HA LEU 66 5.791 10.289 -7.521 473 HB2 LEU 66 1HB LEU 66 2.828 10.750 -7.243 474 HB3 LEU 66 2HB LEU 66 3.547 9.560 -8.326 475 HG LEU 66 HG LEU 66 3.669 9.562 -5.311 476 HD11 LEU 66 1HD1 LEU 66 1.871 8.392 -7.267 477 HD12 LEU 66 2HD1 LEU 66 1.704 8.537 -5.518 478 HD13 LEU 66 3HD1 LEU 66 2.599 7.183 -6.209 479 HD21 LEU 66 1HD2 LEU 66 4.801 7.389 -5.577 480 HD22 LEU 66 2HD2 LEU 66 5.756 8.731 -6.209 481 HD23 LEU 66 3HD2 LEU 66 4.888 7.667 -7.316 482 HA PRO 67 HA PRO 67 5.883 12.764 -11.146 483 HB2 PRO 67 1HB PRO 67 5.689 10.867 -13.078 484 HB3 PRO 67 2HB PRO 67 7.145 11.100 -12.104 485 HG2 PRO 67 1HG PRO 67 4.958 9.080 -11.788 486 HG3 PRO 67 2HG PRO 67 6.713 8.859 -11.657 487 HD2 PRO 67 1HD PRO 67 5.109 9.096 -9.489 488 HD3 PRO 67 2HD PRO 67 6.783 9.686 -9.507 489 H ASN 68 H ASN 68 4.700 13.036 -13.321 490 HA ASN 68 HA ASN 68 2.793 13.579 -14.434 491 HB2 ASN 68 1HB ASN 68 1.787 11.139 -12.960 492 HB3 ASN 68 2HB ASN 68 0.846 11.994 -14.180 493 HD21 ASN 68 1HD2 ASN 68 2.084 12.346 -16.281 494 HD22 ASN 68 2HD2 ASN 68 2.960 10.982 -16.878 495 H ASN 69 H ASN 69 3.371 14.712 -11.777 496 HA ASN 69 HA ASN 69 2.429 16.151 -10.290 497 HB2 ASN 69 1HB ASN 69 -0.019 16.101 -12.059 498 HB3 ASN 69 2HB ASN 69 0.494 17.388 -10.971 499 HD21 ASN 69 1HD2 ASN 69 1.092 19.071 -12.117 500 HD22 ASN 69 2HD2 ASN 69 2.077 19.040 -13.536 501 H HIS 70 H HIS 70 2.317 13.568 -9.502 502 HA HIS 70 HA HIS 70 -0.254 13.460 -8.085 503 HB2 HIS 70 1HB HIS 70 1.177 11.083 -9.296 504 HB3 HIS 70 2HB HIS 70 -0.281 11.008 -8.309 505 HD1 HIS 70 1HD HIS 70 -1.507 13.606 -9.859 506 HD2 HIS 70 2HD HIS 70 -0.207 10.016 -11.498 507 HE1 HIS 70 1HE HIS 70 -2.702 13.401 -12.063 508 HE2 HIS 70 2HE HIS 70 -1.965 11.181 -12.996 509 H ILE 71 H ILE 71 -0.128 11.954 -6.161 510 HA ILE 71 HA ILE 71 2.553 11.725 -5.025 511 HB ILE 71 HB ILE 71 0.307 13.157 -3.601 512 HG12 ILE 71 1HG1 ILE 71 2.984 14.310 -4.352 513 HG13 ILE 71 2HG1 ILE 71 1.619 14.373 -5.461 514 HG21 ILE 71 1HG2 ILE 71 1.339 12.457 -1.753 515 HG22 ILE 71 2HG2 ILE 71 2.723 11.851 -2.663 516 HG23 ILE 71 3HG2 ILE 71 2.651 13.550 -2.196 517 HD11 ILE 71 1HD1 ILE 71 0.648 15.306 -3.012 518 HD12 ILE 71 2HD1 ILE 71 2.229 16.056 -3.228 519 HD13 ILE 71 3HD1 ILE 71 0.989 16.242 -4.468 520 H GLY 72 H GLY 72 2.772 10.115 -3.486 521 HA2 GLY 72 1HA GLY 72 0.406 8.715 -2.532 522 HA3 GLY 72 2HA GLY 72 1.451 7.802 -3.610 523 H ILE 73 H ILE 73 0.956 6.915 -1.056 524 HA ILE 73 HA ILE 73 3.391 7.582 0.448 525 HB ILE 73 HB ILE 73 1.269 7.797 1.681 526 HG12 ILE 73 1HG1 ILE 73 2.612 5.413 2.882 527 HG13 ILE 73 2HG1 ILE 73 3.560 6.875 2.630 528 HG21 ILE 73 1HG2 ILE 73 0.956 4.825 1.627 529 HG22 ILE 73 2HG2 ILE 73 -0.229 6.070 2.020 530 HG23 ILE 73 3HG2 ILE 73 0.258 5.814 0.345 531 HD11 ILE 73 1HD1 ILE 73 1.262 7.797 3.835 532 HD12 ILE 73 2HD1 ILE 73 1.581 6.267 4.652 533 HD13 ILE 73 3HD1 ILE 73 2.818 7.523 4.616 534 H SER 74 H SER 74 4.674 5.894 1.347 535 HA SER 74 HA SER 74 4.390 3.302 -0.024 536 HB2 SER 74 1HB SER 74 6.764 5.090 0.242 537 HB3 SER 74 2HB SER 74 7.031 3.348 0.288 538 HG SER 74 HG SER 74 7.134 4.233 -1.843 539 H PHE 75 H PHE 75 4.239 1.619 1.295 540 HA PHE 75 HA PHE 75 5.730 1.468 3.751 541 HB2 PHE 75 1HB PHE 75 3.954 1.441 5.299 542 HB3 PHE 75 2HB PHE 75 3.614 2.825 4.265 543 HD1 PHE 75 2HD PHE 75 2.659 -0.643 5.046 544 HD2 PHE 75 1HD PHE 75 1.675 2.898 2.899 545 HE1 PHE 75 2HE PHE 75 0.428 -1.561 4.563 546 HE2 PHE 75 1HE PHE 75 -0.558 1.986 2.412 547 HZ PHE 75 HZ PHE 75 -1.183 -0.246 3.243 548 H ILE 76 H ILE 76 5.437 -0.630 4.838 549 HA ILE 76 HA ILE 76 4.696 -2.705 2.887 550 HB ILE 76 HB ILE 76 6.580 -2.936 5.236 551 HG12 ILE 76 1HG1 ILE 76 7.381 -3.060 2.345 552 HG13 ILE 76 2HG1 ILE 76 7.234 -1.506 3.158 553 HG21 ILE 76 1HG2 ILE 76 5.187 -4.942 4.054 554 HG22 ILE 76 2HG2 ILE 76 6.657 -4.926 3.081 555 HG23 ILE 76 3HG2 ILE 76 6.759 -5.138 4.829 556 HD11 ILE 76 1HD1 ILE 76 8.909 -2.138 4.762 557 HD12 ILE 76 2HD1 ILE 76 8.995 -3.762 4.079 558 HD13 ILE 76 3HD1 ILE 76 9.532 -2.376 3.129 559 HA PRO 77 HA PRO 77 1.357 -3.431 5.810 560 HB2 PRO 77 1HB PRO 77 0.027 -5.171 4.206 561 HB3 PRO 77 2HB PRO 77 -0.061 -3.417 4.002 562 HG2 PRO 77 1HG PRO 77 1.601 -5.414 2.517 563 HG3 PRO 77 2HG PRO 77 0.685 -4.033 1.888 564 HD2 PRO 77 1HD PRO 77 3.364 -3.950 2.275 565 HD3 PRO 77 2HD PRO 77 2.326 -2.521 2.463 566 H ARG 78 H ARG 78 1.793 -4.712 7.490 567 HA ARG 78 HA ARG 78 3.079 -7.290 7.086 568 HB2 ARG 78 1HB ARG 78 2.385 -5.720 9.570 569 HB3 ARG 78 2HB ARG 78 3.108 -7.323 9.610 570 HG2 ARG 78 1HG ARG 78 4.373 -5.015 8.165 571 HG3 ARG 78 2HG ARG 78 4.680 -5.366 9.868 572 HD2 ARG 78 1HD ARG 78 5.112 -7.317 7.610 573 HD3 ARG 78 2HD ARG 78 6.379 -6.319 8.324 574 HE ARG 78 HE ARG 78 5.255 -8.717 9.409 575 HH11 ARG 78 1HH1 ARG 78 6.769 -5.687 10.213 576 HH12 ARG 78 2HH1 ARG 78 7.389 -6.249 11.729 577 HH21 ARG 78 1HH2 ARG 78 6.066 -9.469 11.404 578 HH22 ARG 78 2HH2 ARG 78 6.989 -8.401 12.406 579 H GLU 79 H GLU 79 -0.053 -6.017 7.579 580 HA GLU 79 HA GLU 79 -1.092 -8.740 7.961 581 HB2 GLU 79 1HB GLU 79 -1.677 -6.288 9.552 582 HB3 GLU 79 2HB GLU 79 -3.000 -7.404 9.241 583 HG2 GLU 79 1HG GLU 79 -2.103 -8.027 11.317 584 HG3 GLU 79 2HG GLU 79 -1.522 -9.226 10.164 585 H VAL 80 H VAL 80 -3.412 -8.926 7.336 586 HA VAL 80 HA VAL 80 -3.949 -7.227 4.992 587 HB VAL 80 HB VAL 80 -5.383 -9.098 4.195 588 HG11 VAL 80 1HG1 VAL 80 -3.123 -8.876 3.361 589 HG12 VAL 80 2HG1 VAL 80 -2.495 -9.773 4.745 590 HG13 VAL 80 3HG1 VAL 80 -3.520 -10.582 3.559 591 HG21 VAL 80 1HG2 VAL 80 -4.095 -10.791 6.313 592 HG22 VAL 80 2HG2 VAL 80 -5.663 -10.023 6.564 593 HG23 VAL 80 3HG2 VAL 80 -5.451 -11.187 5.256 594 H GLY 81 H GLY 81 -5.882 -6.200 4.764 595 HA2 GLY 81 1HA GLY 81 -8.344 -6.585 5.636 596 HA3 GLY 81 2HA GLY 81 -7.576 -6.115 7.145 597 H GLU 82 H GLU 82 -8.721 -4.223 7.414 598 HA GLU 82 HA GLU 82 -8.495 -2.197 5.307 599 HB2 GLU 82 1HB GLU 82 -10.751 -2.632 6.157 600 HB3 GLU 82 2HB GLU 82 -10.220 -2.253 7.789 601 HG2 GLU 82 1HG GLU 82 -9.758 0.041 7.119 602 HG3 GLU 82 2HG GLU 82 -10.265 -0.333 5.473 603 H HIS 83 H HIS 83 -6.532 -1.257 5.521 604 HA HIS 83 HA HIS 83 -5.523 -0.526 8.143 605 HB2 HIS 83 1HB HIS 83 -4.415 -0.485 5.359 606 HB3 HIS 83 2HB HIS 83 -3.646 0.483 6.613 607 HD1 HIS 83 1HD HIS 83 -4.930 -3.109 6.569 608 HD2 HIS 83 2HD HIS 83 -1.535 -0.915 7.530 609 HE1 HIS 83 1HE HIS 83 -3.271 -4.784 7.444 610 HE2 HIS 83 2HE HIS 83 -1.257 -3.423 8.099 611 H LEU 84 H LEU 84 -5.274 1.538 8.917 612 HA LEU 84 HA LEU 84 -6.607 3.661 7.368 613 HB2 LEU 84 1HB LEU 84 -6.624 2.994 10.277 614 HB3 LEU 84 2HB LEU 84 -6.851 4.667 9.770 615 HG LEU 84 HG LEU 84 -8.585 2.409 8.789 616 HD11 LEU 84 1HD1 LEU 84 -9.891 2.503 10.607 617 HD12 LEU 84 2HD1 LEU 84 -9.698 4.247 10.779 618 HD13 LEU 84 3HD1 LEU 84 -8.460 3.157 11.403 619 HD21 LEU 84 1HD2 LEU 84 -9.359 3.990 7.436 620 HD22 LEU 84 2HD2 LEU 84 -8.349 5.216 8.202 621 HD23 LEU 84 3HD2 LEU 84 -9.944 4.851 8.860 622 H VAL 85 H VAL 85 -5.232 5.119 6.617 623 HA VAL 85 HA VAL 85 -2.659 5.513 7.946 624 HB VAL 85 HB VAL 85 -3.549 6.781 5.362 625 HG11 VAL 85 1HG1 VAL 85 -0.825 6.155 6.497 626 HG12 VAL 85 2HG1 VAL 85 -1.141 6.896 4.926 627 HG13 VAL 85 3HG1 VAL 85 -1.573 7.748 6.408 628 HG21 VAL 85 1HG2 VAL 85 -2.078 4.818 4.424 629 HG22 VAL 85 2HG2 VAL 85 -2.590 4.012 5.907 630 HG23 VAL 85 3HG2 VAL 85 -3.794 4.581 4.751 631 H SER 86 H SER 86 -2.570 7.014 9.475 632 HA SER 86 HA SER 86 -4.467 9.173 9.603 633 HB2 SER 86 1HB SER 86 -2.005 9.004 11.316 634 HB3 SER 86 2HB SER 86 -3.603 9.626 11.728 635 HG SER 86 HG SER 86 -4.316 7.630 12.070 636 H ILE 87 H ILE 87 -4.268 10.859 8.285 637 HA ILE 87 HA ILE 87 -1.576 11.988 7.866 638 HB ILE 87 HB ILE 87 -3.855 12.247 5.913 639 HG12 ILE 87 1HG1 ILE 87 -3.258 9.871 6.144 640 HG13 ILE 87 2HG1 ILE 87 -2.770 10.504 4.575 641 HG21 ILE 87 1HG2 ILE 87 -0.942 12.938 5.896 642 HG22 ILE 87 2HG2 ILE 87 -1.817 12.673 4.389 643 HG23 ILE 87 3HG2 ILE 87 -2.330 13.948 5.493 644 HD11 ILE 87 1HD1 ILE 87 -0.479 10.874 5.724 645 HD12 ILE 87 2HD1 ILE 87 -1.083 9.705 6.899 646 HD13 ILE 87 3HD1 ILE 87 -0.943 9.257 5.199 647 H LYS 88 H LYS 88 -1.341 13.878 8.841 648 HA LYS 88 HA LYS 88 -3.584 15.771 8.835 649 HB2 LYS 88 1HB LYS 88 -1.835 15.666 11.248 650 HB3 LYS 88 2HB LYS 88 -3.511 16.182 11.100 651 HG2 LYS 88 1HG LYS 88 -4.313 13.989 11.136 652 HG3 LYS 88 2HG LYS 88 -2.726 13.308 10.775 653 HD2 LYS 88 1HD LYS 88 -1.961 14.227 13.000 654 HD3 LYS 88 2HD LYS 88 -3.657 14.573 13.345 655 HE2 LYS 88 1HE LYS 88 -4.000 12.066 12.704 656 HE3 LYS 88 2HE LYS 88 -2.276 11.939 13.046 657 HZ1 LYS 88 1HZ LYS 88 -4.416 12.810 14.907 658 HZ2 LYS 88 2HZ LYS 88 -2.767 12.952 15.251 659 HZ3 LYS 88 3HZ LYS 88 -3.453 11.422 15.025 660 H LYS 89 H LYS 89 -2.778 18.006 9.570 661 HA LYS 89 HA LYS 89 -0.089 18.478 8.460 662 HB2 LYS 89 1HB LYS 89 -1.903 19.216 6.932 663 HB3 LYS 89 2HB LYS 89 -2.500 20.285 8.193 664 HG2 LYS 89 1HG LYS 89 -0.187 21.350 8.156 665 HG3 LYS 89 2HG LYS 89 0.062 20.471 6.647 666 HD2 LYS 89 1HD LYS 89 -2.219 21.542 5.975 667 HD3 LYS 89 2HD LYS 89 -1.843 22.692 7.259 668 HE2 LYS 89 1HE LYS 89 0.267 22.076 5.256 669 HE3 LYS 89 2HE LYS 89 -1.083 23.094 4.755 670 HZ1 LYS 89 1HZ LYS 89 1.129 23.710 6.478 671 HZ2 LYS 89 2HZ LYS 89 -0.361 24.145 7.147 672 HZ3 LYS 89 3HZ LYS 89 0.095 24.749 5.635 673 H ASN 90 H ASN 90 1.194 19.009 10.105 674 HA ASN 90 HA ASN 90 2.001 19.994 11.990 675 HB2 ASN 90 1HB ASN 90 0.016 22.134 11.196 676 HB3 ASN 90 2HB ASN 90 1.286 22.340 12.398 677 HD21 ASN 90 1HD2 ASN 90 0.501 23.014 9.336 678 HD22 ASN 90 2HD2 ASN 90 2.072 23.100 8.622 679 H GLY 91 H GLY 91 -0.327 18.195 12.194 680 HA2 GLY 91 1HA GLY 91 -1.231 17.355 14.217 681 HA3 GLY 91 2HA GLY 91 -1.112 18.967 14.908 682 H ASN 92 H ASN 92 -2.422 18.794 11.750 683 HA ASN 92 HA ASN 92 -5.161 18.882 12.820 684 HB2 ASN 92 1HB ASN 92 -3.909 20.781 10.831 685 HB3 ASN 92 2HB ASN 92 -5.644 20.666 11.104 686 HD21 ASN 92 1HD2 ASN 92 -2.783 22.121 12.055 687 HD22 ASN 92 2HD2 ASN 92 -3.344 22.869 13.509 688 H HIS 93 H HIS 93 -5.833 16.923 12.096 689 HA HIS 93 HA HIS 93 -5.203 15.426 9.977 690 HB2 HIS 93 1HB HIS 93 -7.810 15.941 11.317 691 HB3 HIS 93 2HB HIS 93 -7.839 15.027 9.811 692 HD1 HIS 93 1HD HIS 93 -6.971 12.635 9.868 693 HD2 HIS 93 2HD HIS 93 -6.489 14.648 13.470 694 HE1 HIS 93 1HE HIS 93 -6.311 10.875 11.538 695 HE2 HIS 93 2HE HIS 93 -6.108 12.102 13.728 696 H VAL 94 H VAL 94 -5.545 15.317 7.792 697 HA VAL 94 HA VAL 94 -6.485 17.795 6.531 698 HB VAL 94 HB VAL 94 -5.277 17.117 4.554 699 HG11 VAL 94 1HG1 VAL 94 -3.364 17.888 5.393 700 HG12 VAL 94 2HG1 VAL 94 -4.109 17.765 6.988 701 HG13 VAL 94 3HG1 VAL 94 -3.126 16.438 6.367 702 HG21 VAL 94 1HG2 VAL 94 -5.770 14.630 5.001 703 HG22 VAL 94 2HG2 VAL 94 -4.238 15.053 4.238 704 HG23 VAL 94 3HG2 VAL 94 -4.287 14.658 5.955 705 H ALA 95 H ALA 95 -7.258 17.177 4.116 706 HA ALA 95 HA ALA 95 -9.790 15.930 4.471 707 HB1 ALA 95 1HB ALA 95 -9.860 17.619 2.906 708 HB2 ALA 95 2HB ALA 95 -8.340 17.131 2.154 709 HB3 ALA 95 3HB ALA 95 -9.803 16.185 1.878 710 H ASN 96 H ASN 96 -10.589 14.018 3.574 711 HA ASN 96 HA ASN 96 -10.552 11.822 2.985 712 HB2 ASN 96 1HB ASN 96 -8.045 12.624 1.489 713 HB3 ASN 96 2HB ASN 96 -8.937 11.123 1.256 714 HD21 ASN 96 1HD2 ASN 96 -8.468 14.150 0.086 715 HD22 ASN 96 2HD2 ASN 96 -9.944 14.356 -0.789 716 H SER 97 H SER 97 -9.112 12.797 5.386 717 HA SER 97 HA SER 97 -7.344 10.470 5.757 718 HB2 SER 97 1HB SER 97 -6.006 12.528 5.663 719 HB3 SER 97 2HB SER 97 -6.988 13.233 6.947 720 HG SER 97 HG SER 97 -5.573 12.344 8.219 721 HA PRO 98 HA PRO 98 -6.244 9.538 7.435 722 HB2 PRO 98 1HB PRO 98 -6.797 7.015 8.268 723 HB3 PRO 98 2HB PRO 98 -6.259 8.291 9.365 724 HG2 PRO 98 1HG PRO 98 -9.029 7.282 8.847 725 HG3 PRO 98 2HG PRO 98 -8.258 7.691 10.390 726 HD2 PRO 98 1HD PRO 98 -9.972 9.365 9.128 727 HD3 PRO 98 2HD PRO 98 -8.616 9.952 10.113 728 H VAL 99 H VAL 99 -5.609 7.981 5.853 729 HA VAL 99 HA VAL 99 -7.552 7.666 3.742 730 HB VAL 99 HB VAL 99 -4.735 6.592 3.765 731 HG11 VAL 99 1HG1 VAL 99 -5.051 7.144 1.266 732 HG12 VAL 99 2HG1 VAL 99 -5.843 5.708 1.920 733 HG13 VAL 99 3HG1 VAL 99 -6.772 7.183 1.649 734 HG21 VAL 99 1HG2 VAL 99 -5.258 9.177 2.455 735 HG22 VAL 99 2HG2 VAL 99 -5.280 9.200 4.218 736 HG23 VAL 99 3HG2 VAL 99 -3.849 8.627 3.362 737 H SER 100 H SER 100 -8.647 5.877 3.213 738 HA SER 100 HA SER 100 -8.282 3.508 4.880 739 HB2 SER 100 1HB SER 100 -10.465 2.798 3.989 740 HB3 SER 100 2HB SER 100 -10.553 4.422 4.671 741 HG SER 100 HG SER 100 -10.608 3.613 1.980 742 H ILE 101 H ILE 101 -7.078 1.888 4.173 743 HA ILE 101 HA ILE 101 -6.933 1.400 1.269 744 HB ILE 101 HB ILE 101 -4.754 0.966 3.315 745 HG12 ILE 101 1HG1 ILE 101 -4.788 2.833 0.940 746 HG13 ILE 101 2HG1 ILE 101 -5.205 3.338 2.574 747 HG21 ILE 101 1HG2 ILE 101 -4.874 -0.755 1.511 748 HG22 ILE 101 2HG2 ILE 101 -4.626 0.537 0.338 749 HG23 ILE 101 3HG2 ILE 101 -3.377 0.177 1.529 750 HD11 ILE 101 1HD1 ILE 101 -2.989 2.825 3.345 751 HD12 ILE 101 2HD1 ILE 101 -2.557 2.161 1.769 752 HD13 ILE 101 3HD1 ILE 101 -2.891 3.885 1.939 753 H MET 102 H MET 102 -6.994 -0.718 0.555 754 HA MET 102 HA MET 102 -7.855 -2.682 2.571 755 HB2 MET 102 1HB MET 102 -9.533 -2.142 0.854 756 HB3 MET 102 2HB MET 102 -8.403 -2.628 -0.402 757 HG2 MET 102 1HG MET 102 -9.630 -4.527 -0.240 758 HG3 MET 102 2HG MET 102 -8.386 -4.880 0.958 759 HE1 MET 102 1HE MET 102 -9.422 -5.084 4.001 760 HE2 MET 102 2HE MET 102 -10.365 -6.405 3.310 761 HE3 MET 102 3HE MET 102 -8.799 -5.983 2.616 762 H VAL 103 H VAL 103 -6.469 -4.243 3.047 763 HA VAL 103 HA VAL 103 -4.445 -4.991 1.038 764 HB VAL 103 HB VAL 103 -4.211 -5.198 4.043 765 HG11 VAL 103 1HG1 VAL 103 -2.876 -6.900 3.163 766 HG12 VAL 103 2HG1 VAL 103 -2.381 -5.923 1.779 767 HG13 VAL 103 3HG1 VAL 103 -1.757 -5.555 3.388 768 HG21 VAL 103 1HG2 VAL 103 -4.163 -2.875 2.841 769 HG22 VAL 103 2HG2 VAL 103 -2.961 -3.264 4.072 770 HG23 VAL 103 3HG2 VAL 103 -2.542 -3.382 2.363 771 H VAL 104 H VAL 104 -4.287 -7.073 0.436 772 HA VAL 104 HA VAL 104 -5.588 -9.142 2.043 773 HB VAL 104 HB VAL 104 -6.671 -10.121 0.060 774 HG11 VAL 104 1HG1 VAL 104 -8.545 -8.647 -0.010 775 HG12 VAL 104 2HG1 VAL 104 -7.856 -8.548 1.612 776 HG13 VAL 104 3HG1 VAL 104 -7.548 -7.265 0.442 777 HG21 VAL 104 1HG2 VAL 104 -6.789 -7.899 -1.675 778 HG22 VAL 104 2HG2 VAL 104 -5.087 -8.177 -1.306 779 HG23 VAL 104 3HG2 VAL 104 -6.067 -9.479 -1.979 780 H GLN 105 H GLN 105 -4.550 -11.066 2.016 781 HA GLN 105 HA GLN 105 -1.992 -11.173 0.662 782 HB2 GLN 105 1HB GLN 105 -1.642 -13.234 1.957 783 HB3 GLN 105 2HB GLN 105 -2.119 -11.890 2.985 784 HG2 GLN 105 1HG GLN 105 -4.508 -12.837 2.705 785 HG3 GLN 105 2HG GLN 105 -3.682 -14.308 2.192 786 HE21 GLN 105 1HE2 GLN 105 -1.627 -14.618 3.773 787 HE22 GLN 105 2HE2 GLN 105 -2.081 -14.688 5.439 788 H SER 106 H SER 106 -2.281 -11.549 -1.485 789 HA SER 106 HA SER 106 -4.199 -13.185 -2.663 790 HB2 SER 106 1HB SER 106 -2.578 -11.497 -3.758 791 HB3 SER 106 2HB SER 106 -1.443 -12.845 -3.831 792 HG SER 106 HG SER 106 -3.312 -13.981 -4.878 793 H GLU 107 H GLU 107 -4.490 -15.204 -1.877 794 HA GLU 107 HA GLU 107 -2.300 -16.943 -1.237 795 HB2 GLU 107 1HB GLU 107 -4.729 -16.876 -0.260 796 HB3 GLU 107 2HB GLU 107 -5.107 -17.914 -1.626 797 HG2 GLU 107 1HG GLU 107 -4.626 -19.154 0.450 798 HG3 GLU 107 2HG GLU 107 -3.549 -19.571 -0.882 799 H ILE 108 H ILE 108 -1.129 -17.080 -3.186 800 HA ILE 108 HA ILE 108 -2.067 -17.699 -5.701 801 HB ILE 108 HB ILE 108 0.126 -18.563 -6.229 802 HG12 ILE 108 1HG1 ILE 108 0.336 -19.981 -4.173 803 HG13 ILE 108 2HG1 ILE 108 1.790 -19.069 -4.564 804 HG21 ILE 108 1HG2 ILE 108 1.465 -16.674 -4.855 805 HG22 ILE 108 2HG2 ILE 108 0.437 -16.329 -6.245 806 HG23 ILE 108 3HG2 ILE 108 -0.192 -16.121 -4.610 807 HD11 ILE 108 1HD1 ILE 108 -0.134 -18.693 -2.321 808 HD12 ILE 108 2HD1 ILE 108 1.627 -18.778 -2.293 809 HD13 ILE 108 3HD1 ILE 108 0.824 -17.330 -2.898 810 H GLY 109 H GLY 109 -1.704 -19.784 -2.931 811 HA2 GLY 109 1HA GLY 109 -2.692 -22.035 -4.574 812 HA3 GLY 109 2HA GLY 109 -1.547 -22.253 -3.258 813 H ASP 110 H ASP 110 -2.675 -23.481 -1.858 814 HA ASP 110 HA ASP 110 -5.387 -22.637 -1.122 815 HB2 ASP 110 1HB ASP 110 -5.752 -24.827 -0.296 816 HB3 ASP 110 2HB ASP 110 -4.877 -25.038 -1.810 817 H SER 111 H SER 111 -5.927 -23.013 1.258 818 HA SER 111 HA SER 111 -3.737 -21.926 2.904 819 HB2 SER 111 1HB SER 111 -5.903 -20.530 2.382 820 HB3 SER 111 2HB SER 111 -6.619 -21.544 3.635 821 HG SER 111 HG SER 111 -5.031 -20.809 5.066 822 H GLY 112 H GLY 112 -6.740 -23.838 3.116 823 HA2 GLY 112 1HA GLY 112 -6.033 -24.955 5.661 824 HA3 GLY 112 2HA GLY 112 -7.380 -25.446 4.644 825 HA PRO 113 HA PRO 113 -4.276 -28.883 4.670 826 HB2 PRO 113 1HB PRO 113 -6.111 -30.847 5.043 827 HB3 PRO 113 2HB PRO 113 -5.377 -29.953 6.379 828 HG2 PRO 113 1HG PRO 113 -8.045 -29.564 5.079 829 HG3 PRO 113 2HG PRO 113 -7.625 -29.539 6.801 830 HD2 PRO 113 1HD PRO 113 -7.984 -27.277 5.356 831 HD3 PRO 113 2HD PRO 113 -6.836 -27.376 6.706 832 H SER 114 H SER 114 -7.515 -28.802 3.201 833 HA SER 114 HA SER 114 -7.477 -30.660 1.292 834 HB2 SER 114 1HB SER 114 -9.315 -29.130 1.371 835 HB3 SER 114 2HB SER 114 -8.278 -27.763 0.964 836 HG SER 114 HG SER 114 -9.647 -29.187 -0.704 837 H SER 115 H SER 115 -5.787 -31.377 0.166 838 HA SER 115 HA SER 115 -3.943 -29.448 -1.043 839 HB2 SER 115 1HB SER 115 -3.732 -32.404 -0.472 840 HB3 SER 115 2HB SER 115 -2.570 -31.559 -1.495 841 HG SER 115 HG SER 115 -1.900 -30.380 0.217 842 H GLY 116 H GLY 116 -3.235 -29.762 -3.254 843 HA2 GLY 116 1HA GLY 116 -3.699 -31.162 -5.310 844 HA3 GLY 116 2HA GLY 116 -5.392 -30.891 -4.925 Start of MODEL 5 1 H1 GLY 1 H GLY 1 6.553 -13.278 3.721 2 HA2 GLY 1 1HA GLY 1 8.213 -13.433 6.086 3 HA3 GLY 1 2HA GLY 1 6.769 -14.379 5.759 4 H SER 2 H SER 2 8.380 -15.959 6.817 5 HA SER 2 HA SER 2 10.354 -17.034 4.981 6 HB2 SER 2 1HB SER 2 9.602 -17.545 7.833 7 HB3 SER 2 2HB SER 2 10.498 -18.782 6.950 8 HG SER 2 HG SER 2 12.167 -17.373 6.666 9 H SER 3 H SER 3 10.383 -19.555 4.897 10 HA SER 3 HA SER 3 9.463 -21.447 4.031 11 HB2 SER 3 1HB SER 3 6.957 -20.502 5.445 12 HB3 SER 3 2HB SER 3 7.259 -22.135 4.852 13 HG SER 3 HG SER 3 7.853 -22.249 6.930 14 H GLY 4 H GLY 4 9.592 -19.287 2.316 15 HA2 GLY 4 1HA GLY 4 7.816 -20.061 0.271 16 HA3 GLY 4 2HA GLY 4 7.212 -18.589 1.017 17 H SER 5 H SER 5 8.749 -19.559 -1.594 18 HA SER 5 HA SER 5 11.054 -17.884 -1.671 19 HB2 SER 5 1HB SER 5 9.465 -19.195 -3.889 20 HB3 SER 5 2HB SER 5 10.996 -18.354 -4.129 21 HG SER 5 HG SER 5 10.569 -20.627 -2.481 22 H SER 6 H SER 6 11.358 -15.928 -2.765 23 HA SER 6 HA SER 6 8.915 -14.477 -3.523 24 HB2 SER 6 1HB SER 6 9.699 -12.478 -2.389 25 HB3 SER 6 2HB SER 6 9.639 -13.811 -1.234 26 HG SER 6 HG SER 6 11.592 -12.560 -1.131 27 H GLY 7 H GLY 7 9.188 -14.353 -5.681 28 HA2 GLY 7 1HA GLY 7 11.771 -13.298 -6.654 29 HA3 GLY 7 2HA GLY 7 10.763 -14.403 -7.575 30 H ILE 8 H ILE 8 11.717 -11.303 -7.421 31 HA ILE 8 HA ILE 8 9.423 -9.748 -7.675 32 HB ILE 8 HB ILE 8 10.822 -8.157 -8.958 33 HG12 ILE 8 1HG1 ILE 8 12.940 -10.307 -8.727 34 HG13 ILE 8 2HG1 ILE 8 12.129 -9.836 -10.217 35 HG21 ILE 8 1HG2 ILE 8 11.851 -7.447 -7.081 36 HG22 ILE 8 2HG2 ILE 8 10.961 -8.776 -6.340 37 HG23 ILE 8 3HG2 ILE 8 12.647 -8.996 -6.804 38 HD11 ILE 8 1HD1 ILE 8 14.476 -8.900 -9.685 39 HD12 ILE 8 2HD1 ILE 8 13.242 -7.821 -10.334 40 HD13 ILE 8 3HD1 ILE 8 13.608 -7.804 -8.611 41 HA PRO 9 HA PRO 9 7.639 -10.951 -11.516 42 HB2 PRO 9 1HB PRO 9 6.293 -8.667 -12.102 43 HB3 PRO 9 2HB PRO 9 5.773 -9.791 -10.841 44 HG2 PRO 9 1HG PRO 9 7.300 -7.228 -10.583 45 HG3 PRO 9 2HG PRO 9 5.962 -7.839 -9.591 46 HD2 PRO 9 1HD PRO 9 8.549 -8.009 -8.811 47 HD3 PRO 9 2HD PRO 9 7.337 -9.227 -8.368 48 H GLY 10 H GLY 10 7.361 -10.067 -13.808 49 HA2 GLY 10 1HA GLY 10 9.081 -8.021 -14.758 50 HA3 GLY 10 2HA GLY 10 9.843 -9.592 -14.961 51 H SER 11 H SER 11 6.383 -9.077 -15.170 52 HA SER 11 HA SER 11 4.897 -9.293 -16.880 53 HB2 SER 11 1HB SER 11 6.229 -7.441 -17.889 54 HB3 SER 11 2HB SER 11 7.241 -8.646 -18.685 55 HG SER 11 HG SER 11 4.487 -8.858 -19.037 56 HA PRO 12 HA PRO 12 6.879 -13.504 -17.699 57 HB2 PRO 12 1HB PRO 12 5.316 -14.927 -15.995 58 HB3 PRO 12 2HB PRO 12 6.846 -14.190 -15.507 59 HG2 PRO 12 1HG PRO 12 4.051 -13.197 -15.099 60 HG3 PRO 12 2HG PRO 12 5.413 -13.207 -13.963 61 HD2 PRO 12 1HD PRO 12 4.673 -10.990 -15.329 62 HD3 PRO 12 2HD PRO 12 6.360 -11.318 -14.883 63 H PHE 13 H PHE 13 3.489 -12.639 -17.068 64 HA PHE 13 HA PHE 13 2.713 -13.627 -19.665 65 HB2 PHE 13 1HB PHE 13 2.697 -15.597 -17.966 66 HB3 PHE 13 2HB PHE 13 1.248 -14.824 -17.333 67 HD1 PHE 13 2HD PHE 13 -0.596 -14.272 -19.090 68 HD2 PHE 13 1HD PHE 13 2.512 -17.118 -19.685 69 HE1 PHE 13 2HE PHE 13 -1.942 -15.373 -20.829 70 HE2 PHE 13 1HE PHE 13 1.171 -18.223 -21.427 71 HZ PHE 13 HZ PHE 13 -1.059 -17.352 -22.000 72 H THR 14 H THR 14 0.741 -12.811 -20.368 73 HA THR 14 HA THR 14 -0.417 -10.738 -18.626 74 HB THR 14 HB THR 14 -1.236 -9.678 -20.722 75 HG1 THR 14 1HG THR 14 -1.065 -10.748 -22.533 76 HG21 THR 14 1HG2 THR 14 0.618 -8.479 -20.384 77 HG22 THR 14 2HG2 THR 14 1.417 -9.526 -21.557 78 HG23 THR 14 3HG2 THR 14 1.512 -9.896 -19.836 79 H ALA 15 H ALA 15 -1.935 -12.037 -17.584 80 HA ALA 15 HA ALA 15 -4.200 -12.839 -19.276 81 HB1 ALA 15 1HB ALA 15 -4.243 -14.629 -17.154 82 HB2 ALA 15 2HB ALA 15 -3.794 -14.980 -18.823 83 HB3 ALA 15 3HB ALA 15 -2.550 -14.565 -17.644 84 H LYS 16 H LYS 16 -5.924 -11.711 -18.694 85 HA LYS 16 HA LYS 16 -6.275 -11.039 -15.846 86 HB2 LYS 16 1HB LYS 16 -7.180 -8.925 -16.417 87 HB3 LYS 16 2HB LYS 16 -5.713 -9.095 -17.372 88 HG2 LYS 16 1HG LYS 16 -8.268 -9.957 -18.605 89 HG3 LYS 16 2HG LYS 16 -7.981 -8.226 -18.415 90 HD2 LYS 16 1HD LYS 16 -6.146 -8.245 -19.830 91 HD3 LYS 16 2HD LYS 16 -5.862 -9.972 -19.602 92 HE2 LYS 16 1HE LYS 16 -8.334 -8.942 -20.959 93 HE3 LYS 16 2HE LYS 16 -6.832 -9.200 -21.845 94 HZ1 LYS 16 1HZ LYS 16 -7.341 -11.333 -21.997 95 HZ2 LYS 16 2HZ LYS 16 -8.770 -11.089 -21.126 96 HZ3 LYS 16 3HZ LYS 16 -7.338 -11.480 -20.312 97 H ILE 17 H ILE 17 -8.434 -10.970 -15.061 98 HA ILE 17 HA ILE 17 -10.589 -11.879 -16.760 99 HB ILE 17 HB ILE 17 -9.621 -13.601 -14.477 100 HG12 ILE 17 1HG1 ILE 17 -9.875 -14.152 -17.441 101 HG13 ILE 17 2HG1 ILE 17 -8.368 -13.914 -16.563 102 HG21 ILE 17 1HG2 ILE 17 -12.038 -14.017 -16.225 103 HG22 ILE 17 2HG2 ILE 17 -11.523 -15.008 -14.860 104 HG23 ILE 17 3HG2 ILE 17 -12.095 -13.362 -14.589 105 HD11 ILE 17 1HD1 ILE 17 -10.305 -16.136 -15.980 106 HD12 ILE 17 2HD1 ILE 17 -8.923 -16.286 -17.066 107 HD13 ILE 17 3HD1 ILE 17 -8.668 -15.941 -15.355 108 H THR 18 H THR 18 -12.637 -11.564 -15.856 109 HA THR 18 HA THR 18 -12.636 -9.977 -13.373 110 HB THR 18 HB THR 18 -14.742 -8.958 -14.209 111 HG1 THR 18 1HG THR 18 -14.101 -10.403 -16.584 112 HG21 THR 18 1HG2 THR 18 -13.710 -7.512 -15.866 113 HG22 THR 18 2HG2 THR 18 -12.429 -8.693 -16.132 114 HG23 THR 18 3HG2 THR 18 -12.559 -7.868 -14.580 115 H ASP 19 H ASP 19 -12.949 -11.666 -11.929 116 HA ASP 19 HA ASP 19 -15.201 -13.464 -12.304 117 HB2 ASP 19 1HB ASP 19 -13.208 -13.266 -10.035 118 HB3 ASP 19 2HB ASP 19 -14.405 -14.542 -10.240 119 H ASP 20 H ASP 20 -14.108 -11.369 -9.629 120 HA ASP 20 HA ASP 20 -16.849 -11.189 -8.663 121 HB2 ASP 20 1HB ASP 20 -14.372 -9.931 -7.475 122 HB3 ASP 20 2HB ASP 20 -15.924 -10.188 -6.682 123 H SER 21 H SER 21 -14.234 -8.930 -9.539 124 HA SER 21 HA SER 21 -14.293 -6.870 -10.517 125 HB2 SER 21 1HB SER 21 -16.252 -8.079 -11.819 126 HB3 SER 21 2HB SER 21 -17.259 -6.968 -10.891 127 HG SER 21 HG SER 21 -15.635 -5.335 -11.724 128 H ARG 22 H ARG 22 -14.771 -7.351 -7.667 129 HA ARG 22 HA ARG 22 -16.617 -5.272 -6.847 130 HB2 ARG 22 1HB ARG 22 -14.774 -7.053 -5.243 131 HB3 ARG 22 2HB ARG 22 -15.923 -5.917 -4.549 132 HG2 ARG 22 1HG ARG 22 -17.751 -7.161 -5.675 133 HG3 ARG 22 2HG ARG 22 -16.557 -8.348 -6.205 134 HD2 ARG 22 1HD ARG 22 -17.513 -9.251 -4.255 135 HD3 ARG 22 2HD ARG 22 -15.950 -8.608 -3.754 136 HE ARG 22 HE ARG 22 -17.600 -6.554 -3.237 137 HH11 ARG 22 1HH1 ARG 22 -17.774 -9.944 -2.462 138 HH12 ARG 22 2HH1 ARG 22 -18.660 -9.697 -0.994 139 HH21 ARG 22 1HH2 ARG 22 -18.768 -6.217 -1.307 140 HH22 ARG 22 2HH2 ARG 22 -19.226 -7.576 -0.338 141 H ARG 23 H ARG 23 -15.608 -3.930 -4.856 142 HA ARG 23 HA ARG 23 -13.391 -2.436 -6.054 143 HB2 ARG 23 1HB ARG 23 -14.070 -0.754 -4.206 144 HB3 ARG 23 2HB ARG 23 -15.125 -0.951 -5.599 145 HG2 ARG 23 1HG ARG 23 -15.655 -2.643 -3.223 146 HG3 ARG 23 2HG ARG 23 -16.046 -0.926 -3.120 147 HD2 ARG 23 1HD ARG 23 -16.970 -2.711 -5.362 148 HD3 ARG 23 2HD ARG 23 -17.914 -2.419 -3.902 149 HE ARG 23 HE ARG 23 -17.074 -0.047 -5.329 150 HH11 ARG 23 1HH1 ARG 23 -19.558 -2.439 -4.854 151 HH12 ARG 23 2HH1 ARG 23 -20.823 -1.441 -5.492 152 HH21 ARG 23 1HH2 ARG 23 -18.731 1.277 -6.171 153 HH22 ARG 23 2HH2 ARG 23 -20.352 0.672 -6.241 154 H CYS 24 H CYS 24 -11.405 -2.629 -5.276 155 HA CYS 24 HA CYS 24 -10.755 -2.681 -2.539 156 HB2 CYS 24 1HB CYS 24 -9.906 -4.967 -2.317 157 HB3 CYS 24 2HB CYS 24 -11.635 -4.972 -2.646 158 HG CYS 24 HG CYS 24 -9.468 -5.334 -5.237 159 H SER 25 H SER 25 -8.379 -3.191 -2.205 160 HA SER 25 HA SER 25 -6.853 -2.499 -4.631 161 HB2 SER 25 1HB SER 25 -7.027 -0.572 -3.098 162 HB3 SER 25 2HB SER 25 -6.317 -1.542 -1.808 163 HG SER 25 HG SER 25 -4.852 -0.133 -3.051 164 H GLN 26 H GLN 26 -5.899 -4.377 -5.163 165 HA GLN 26 HA GLN 26 -4.990 -6.277 -3.236 166 HB2 GLN 26 1HB GLN 26 -5.706 -6.556 -5.770 167 HB3 GLN 26 2HB GLN 26 -3.987 -6.305 -6.046 168 HG2 GLN 26 1HG GLN 26 -3.397 -8.240 -4.883 169 HG3 GLN 26 2HG GLN 26 -4.971 -8.354 -4.096 170 HE21 GLN 26 1HE2 GLN 26 -6.010 -10.067 -4.796 171 HE22 GLN 26 2HE2 GLN 26 -6.088 -10.619 -6.432 172 H VAL 27 H VAL 27 -3.080 -6.423 -2.249 173 HA VAL 27 HA VAL 27 -0.763 -5.030 -3.378 174 HB VAL 27 HB VAL 27 -1.551 -4.768 -0.474 175 HG11 VAL 27 1HG1 VAL 27 0.797 -3.909 -2.094 176 HG12 VAL 27 2HG1 VAL 27 0.252 -2.876 -0.772 177 HG13 VAL 27 3HG1 VAL 27 0.731 -4.544 -0.450 178 HG21 VAL 27 1HG2 VAL 27 -1.586 -2.244 -1.478 179 HG22 VAL 27 2HG2 VAL 27 -2.231 -3.163 -2.838 180 HG23 VAL 27 3HG2 VAL 27 -3.015 -3.253 -1.260 181 H LYS 28 H LYS 28 1.280 -5.762 -2.522 182 HA LYS 28 HA LYS 28 1.206 -8.591 -1.867 183 HB2 LYS 28 1HB LYS 28 3.574 -6.792 -2.415 184 HB3 LYS 28 2HB LYS 28 3.614 -8.546 -2.297 185 HG2 LYS 28 1HG LYS 28 2.013 -7.047 -4.357 186 HG3 LYS 28 2HG LYS 28 3.651 -7.646 -4.622 187 HD2 LYS 28 1HD LYS 28 1.408 -9.439 -3.728 188 HD3 LYS 28 2HD LYS 28 1.737 -9.119 -5.433 189 HE2 LYS 28 1HE LYS 28 3.828 -10.140 -3.524 190 HE3 LYS 28 2HE LYS 28 2.783 -11.209 -4.457 191 HZ1 LYS 28 1HZ LYS 28 5.134 -10.389 -5.329 192 HZ2 LYS 28 2HZ LYS 28 4.185 -9.128 -5.937 193 HZ3 LYS 28 3HZ LYS 28 3.847 -10.727 -6.375 194 H LEU 29 H LEU 29 1.165 -9.234 0.176 195 HA LEU 29 HA LEU 29 1.728 -7.518 2.365 196 HB2 LEU 29 1HB LEU 29 0.154 -9.511 2.303 197 HB3 LEU 29 2HB LEU 29 1.590 -10.520 2.471 198 HG LEU 29 HG LEU 29 2.065 -9.280 4.618 199 HD11 LEU 29 1HD1 LEU 29 0.869 -7.452 5.019 200 HD12 LEU 29 2HD1 LEU 29 -0.506 -8.509 5.336 201 HD13 LEU 29 3HD1 LEU 29 -0.267 -7.831 3.725 202 HD21 LEU 29 1HD2 LEU 29 -0.138 -11.186 4.107 203 HD22 LEU 29 2HD2 LEU 29 -0.088 -10.438 5.704 204 HD23 LEU 29 3HD2 LEU 29 1.301 -11.354 5.114 205 H GLY 30 H GLY 30 3.556 -7.172 3.476 206 HA2 GLY 30 1HA GLY 30 5.687 -7.546 4.316 207 HA3 GLY 30 2HA GLY 30 5.715 -9.090 3.476 208 H SER 31 H SER 31 4.945 -6.153 1.779 209 HA SER 31 HA SER 31 7.655 -5.787 0.819 210 HB2 SER 31 1HB SER 31 5.432 -6.615 -1.064 211 HB3 SER 31 2HB SER 31 7.039 -6.080 -1.556 212 HG SER 31 HG SER 31 7.837 -7.964 -1.021 213 H ALA 32 H ALA 32 8.022 -3.694 0.490 214 HA ALA 32 HA ALA 32 6.156 -1.703 1.004 215 HB1 ALA 32 1HB ALA 32 7.825 -0.197 0.577 216 HB2 ALA 32 2HB ALA 32 8.779 -1.659 0.826 217 HB3 ALA 32 3HB ALA 32 8.437 -1.098 -0.810 218 H ALA 33 H ALA 33 4.366 -1.276 -0.102 219 HA ALA 33 HA ALA 33 4.494 -1.327 -3.048 220 HB1 ALA 33 1HB ALA 33 2.602 -2.536 -1.199 221 HB2 ALA 33 2HB ALA 33 1.820 -1.545 -2.431 222 HB3 ALA 33 3HB ALA 33 2.886 -2.867 -2.908 223 H ASP 34 H ASP 34 3.559 0.352 -4.181 224 HA ASP 34 HA ASP 34 3.265 2.825 -2.714 225 HB2 ASP 34 1HB ASP 34 2.870 3.736 -5.089 226 HB3 ASP 34 2HB ASP 34 4.464 3.089 -4.716 227 H PHE 35 H PHE 35 1.433 4.187 -2.779 228 HA PHE 35 HA PHE 35 -1.081 2.894 -3.584 229 HB2 PHE 35 1HB PHE 35 -0.517 4.278 -0.957 230 HB3 PHE 35 2HB PHE 35 -2.134 3.865 -1.518 231 HD1 PHE 35 1HD PHE 35 1.087 2.507 -0.379 232 HD2 PHE 35 2HD PHE 35 -2.949 1.632 -1.410 233 HE1 PHE 35 1HE PHE 35 1.325 0.264 0.603 234 HE2 PHE 35 2HE PHE 35 -2.717 -0.612 -0.429 235 HZ PHE 35 HZ PHE 35 -0.579 -1.298 0.582 236 H LEU 36 H LEU 36 -1.933 4.121 -5.122 237 HA LEU 36 HA LEU 36 -1.356 6.952 -5.275 238 HB2 LEU 36 1HB LEU 36 -1.644 5.158 -7.190 239 HB3 LEU 36 2HB LEU 36 -3.339 5.621 -7.053 240 HG LEU 36 HG LEU 36 -2.282 8.055 -7.294 241 HD11 LEU 36 1HD1 LEU 36 -0.008 7.582 -7.460 242 HD12 LEU 36 2HD1 LEU 36 -0.512 7.807 -9.135 243 HD13 LEU 36 3HD1 LEU 36 -0.277 6.180 -8.497 244 HD21 LEU 36 1HD2 LEU 36 -2.574 7.681 -9.835 245 HD22 LEU 36 2HD2 LEU 36 -3.962 7.450 -8.773 246 HD23 LEU 36 3HD2 LEU 36 -3.070 6.052 -9.374 247 H LEU 37 H LEU 37 -2.560 8.493 -4.403 248 HA LEU 37 HA LEU 37 -5.433 8.031 -4.031 249 HB2 LEU 37 1HB LEU 37 -5.451 8.600 -1.805 250 HB3 LEU 37 2HB LEU 37 -3.959 7.669 -1.927 251 HG LEU 37 HG LEU 37 -4.048 10.681 -1.990 252 HD11 LEU 37 1HD1 LEU 37 -3.327 10.599 0.346 253 HD12 LEU 37 2HD1 LEU 37 -3.540 8.849 0.350 254 HD13 LEU 37 3HD1 LEU 37 -4.936 9.905 0.137 255 HD21 LEU 37 1HD2 LEU 37 -1.808 8.710 -1.546 256 HD22 LEU 37 2HD2 LEU 37 -1.665 10.465 -1.458 257 HD23 LEU 37 3HD2 LEU 37 -2.066 9.688 -2.990 258 H ASP 38 H ASP 38 -6.696 9.752 -4.483 259 HA ASP 38 HA ASP 38 -5.423 12.078 -5.639 260 HB2 ASP 38 1HB ASP 38 -7.367 11.029 -6.740 261 HB3 ASP 38 2HB ASP 38 -8.360 11.416 -5.337 262 H ILE 39 H ILE 39 -4.597 13.402 -4.104 263 HA ILE 39 HA ILE 39 -6.516 14.565 -2.205 264 HB ILE 39 HB ILE 39 -4.641 14.764 -0.548 265 HG12 ILE 39 1HG1 ILE 39 -3.278 12.539 -2.024 266 HG13 ILE 39 2HG1 ILE 39 -2.933 14.210 -2.459 267 HG21 ILE 39 1HG2 ILE 39 -5.457 11.959 -1.295 268 HG22 ILE 39 2HG2 ILE 39 -4.870 12.486 0.282 269 HG23 ILE 39 3HG2 ILE 39 -6.410 13.086 -0.331 270 HD11 ILE 39 1HD1 ILE 39 -1.712 14.564 -0.617 271 HD12 ILE 39 2HD1 ILE 39 -2.796 13.625 0.411 272 HD13 ILE 39 3HD1 ILE 39 -1.594 12.805 -0.585 273 H SER 40 H SER 40 -6.452 16.739 -2.025 274 HA SER 40 HA SER 40 -4.806 18.191 -3.899 275 HB2 SER 40 1HB SER 40 -6.813 19.227 -1.883 276 HB3 SER 40 2HB SER 40 -6.107 20.147 -3.210 277 HG SER 40 HG SER 40 -7.372 17.751 -3.853 278 H GLU 41 H GLU 41 -3.187 16.975 -2.043 279 HA GLU 41 HA GLU 41 -2.179 19.281 -0.515 280 HB2 GLU 41 1HB GLU 41 -2.526 16.431 0.336 281 HB3 GLU 41 2HB GLU 41 -1.225 17.388 1.028 282 HG2 GLU 41 1HG GLU 41 -2.642 18.744 2.184 283 HG3 GLU 41 2HG GLU 41 -3.954 18.549 1.024 284 H THR 42 H THR 42 -0.101 19.793 -0.837 285 HA THR 42 HA THR 42 1.510 17.962 -2.487 286 HB THR 42 HB THR 42 2.861 20.038 -3.023 287 HG1 THR 42 1HG THR 42 2.193 21.932 -2.286 288 HG21 THR 42 1HG2 THR 42 1.666 19.726 -4.888 289 HG22 THR 42 2HG2 THR 42 0.574 20.967 -4.275 290 HG23 THR 42 3HG2 THR 42 0.227 19.263 -3.981 291 H ASP 43 H ASP 43 2.242 20.648 -0.261 292 HA ASP 43 HA ASP 43 4.717 20.063 0.555 293 HB2 ASP 43 1HB ASP 43 2.563 20.694 2.577 294 HB3 ASP 43 2HB ASP 43 4.271 21.120 2.658 295 H LEU 44 H LEU 44 5.768 18.374 1.353 296 HA LEU 44 HA LEU 44 4.270 16.086 2.332 297 HB2 LEU 44 1HB LEU 44 7.031 16.582 1.372 298 HB3 LEU 44 2HB LEU 44 6.795 15.256 2.508 299 HG LEU 44 HG LEU 44 4.892 14.619 0.756 300 HD11 LEU 44 1HD1 LEU 44 5.225 16.498 -0.710 301 HD12 LEU 44 2HD1 LEU 44 5.740 15.026 -1.531 302 HD13 LEU 44 3HD1 LEU 44 6.943 16.127 -0.859 303 HD21 LEU 44 1HD2 LEU 44 7.821 14.011 0.775 304 HD22 LEU 44 2HD2 LEU 44 6.767 13.292 -0.442 305 HD23 LEU 44 3HD2 LEU 44 6.464 12.999 1.271 306 H SER 45 H SER 45 7.078 17.973 3.467 307 HA SER 45 HA SER 45 7.261 16.898 6.013 308 HB2 SER 45 1HB SER 45 8.352 19.077 6.636 309 HB3 SER 45 2HB SER 45 9.009 18.329 5.181 310 HG SER 45 HG SER 45 7.644 20.698 5.486 311 H SER 46 H SER 46 5.403 19.732 4.943 312 HA SER 46 HA SER 46 4.371 20.522 7.392 313 HB2 SER 46 1HB SER 46 2.924 20.620 4.734 314 HB3 SER 46 2HB SER 46 2.606 21.635 6.140 315 HG SER 46 HG SER 46 4.410 22.753 5.769 316 H LEU 47 H LEU 47 3.538 17.804 5.411 317 HA LEU 47 HA LEU 47 1.147 17.255 7.008 318 HB2 LEU 47 1HB LEU 47 2.196 15.771 4.605 319 HB3 LEU 47 2HB LEU 47 0.621 15.568 5.367 320 HG LEU 47 HG LEU 47 1.482 18.138 4.055 321 HD11 LEU 47 1HD1 LEU 47 1.412 16.010 2.568 322 HD12 LEU 47 2HD1 LEU 47 0.591 17.476 2.033 323 HD13 LEU 47 3HD1 LEU 47 -0.337 16.158 2.751 324 HD21 LEU 47 1HD2 LEU 47 -0.871 17.198 5.488 325 HD22 LEU 47 2HD2 LEU 47 -1.252 17.864 3.900 326 HD23 LEU 47 3HD2 LEU 47 -0.373 18.840 5.079 327 H THR 48 H THR 48 0.812 14.976 7.712 328 HA THR 48 HA THR 48 3.354 13.759 8.581 329 HB THR 48 HB THR 48 0.877 13.367 10.199 330 HG1 THR 48 1HG THR 48 0.774 15.429 10.631 331 HG21 THR 48 1HG2 THR 48 2.412 12.274 11.401 332 HG22 THR 48 2HG2 THR 48 3.079 13.851 11.823 333 HG23 THR 48 3HG2 THR 48 3.735 12.953 10.453 334 H ALA 49 H ALA 49 3.489 11.516 8.610 335 HA ALA 49 HA ALA 49 1.265 10.092 7.297 336 HB1 ALA 49 1HB ALA 49 3.737 10.516 6.201 337 HB2 ALA 49 2HB ALA 49 3.905 8.909 6.910 338 HB3 ALA 49 3HB ALA 49 2.622 9.228 5.744 339 H SER 50 H SER 50 0.435 8.479 8.444 340 HA SER 50 HA SER 50 2.116 6.864 10.172 341 HB2 SER 50 1HB SER 50 -0.048 8.679 11.193 342 HB3 SER 50 2HB SER 50 0.313 7.171 12.033 343 HG SER 50 HG SER 50 2.040 8.064 12.814 344 H ILE 51 H ILE 51 1.388 4.802 10.389 345 HA ILE 51 HA ILE 51 -1.328 4.179 9.471 346 HB ILE 51 HB ILE 51 1.188 2.836 8.484 347 HG12 ILE 51 1HG1 ILE 51 -1.013 4.371 7.091 348 HG13 ILE 51 2HG1 ILE 51 0.667 4.865 7.268 349 HG21 ILE 51 1HG2 ILE 51 -1.416 1.740 8.897 350 HG22 ILE 51 2HG2 ILE 51 -1.085 1.819 7.167 351 HG23 ILE 51 3HG2 ILE 51 0.024 0.964 8.239 352 HD11 ILE 51 1HD1 ILE 51 -0.480 3.483 5.143 353 HD12 ILE 51 2HD1 ILE 51 1.235 3.788 5.424 354 HD13 ILE 51 3HD1 ILE 51 0.499 2.292 6.000 355 H LYS 52 H LYS 52 -2.340 2.659 10.649 356 HA LYS 52 HA LYS 52 -0.741 0.965 12.438 357 HB2 LYS 52 1HB LYS 52 -1.575 2.868 13.747 358 HB3 LYS 52 2HB LYS 52 -3.218 2.505 13.237 359 HG2 LYS 52 1HG LYS 52 -3.223 1.507 15.276 360 HG3 LYS 52 2HG LYS 52 -2.655 0.153 14.294 361 HD2 LYS 52 1HD LYS 52 -0.533 0.267 15.126 362 HD3 LYS 52 2HD LYS 52 -0.613 2.010 15.392 363 HE2 LYS 52 1HE LYS 52 -2.371 0.263 17.031 364 HE3 LYS 52 2HE LYS 52 -0.647 0.275 17.397 365 HZ1 LYS 52 1HZ LYS 52 -2.631 2.382 17.730 366 HZ2 LYS 52 2HZ LYS 52 -1.086 2.870 17.244 367 HZ3 LYS 52 3HZ LYS 52 -1.286 2.001 18.683 368 H ALA 53 H ALA 53 -1.096 -0.975 11.520 369 HA ALA 53 HA ALA 53 -3.200 -1.888 10.059 370 HB1 ALA 53 1HB ALA 53 -1.851 -3.649 10.052 371 HB2 ALA 53 2HB ALA 53 -1.031 -3.083 11.508 372 HB3 ALA 53 3HB ALA 53 -2.477 -4.083 11.643 373 HA PRO 54 HA PRO 54 -6.752 -2.544 12.552 374 HB2 PRO 54 1HB PRO 54 -7.550 -5.065 11.942 375 HB3 PRO 54 2HB PRO 54 -7.696 -3.712 10.815 376 HG2 PRO 54 1HG PRO 54 -5.606 -5.851 10.945 377 HG3 PRO 54 2HG PRO 54 -6.432 -5.177 9.527 378 HD2 PRO 54 1HD PRO 54 -3.933 -4.427 10.250 379 HD3 PRO 54 2HD PRO 54 -5.072 -3.318 9.462 380 H SER 55 H SER 55 -4.079 -4.684 12.960 381 HA SER 55 HA SER 55 -5.194 -5.792 15.433 382 HB2 SER 55 1HB SER 55 -2.931 -6.568 13.627 383 HB3 SER 55 2HB SER 55 -2.910 -7.092 15.311 384 HG SER 55 HG SER 55 -4.398 -8.501 14.861 385 H GLY 56 H GLY 56 -3.874 -3.015 14.747 386 HA2 GLY 56 1HA GLY 56 -2.900 -1.439 16.133 387 HA3 GLY 56 2HA GLY 56 -2.723 -2.683 17.362 388 H ARG 57 H ARG 57 -1.485 -3.383 14.231 389 HA ARG 57 HA ARG 57 1.229 -3.271 15.305 390 HB2 ARG 57 1HB ARG 57 0.218 -4.489 12.729 391 HB3 ARG 57 2HB ARG 57 1.841 -4.652 13.382 392 HG2 ARG 57 1HG ARG 57 -0.454 -5.512 15.063 393 HG3 ARG 57 2HG ARG 57 0.036 -6.530 13.708 394 HD2 ARG 57 1HD ARG 57 2.219 -6.805 14.588 395 HD3 ARG 57 2HD ARG 57 1.974 -5.527 15.778 396 HE ARG 57 HE ARG 57 1.154 -8.275 15.988 397 HH11 ARG 57 1HH1 ARG 57 0.572 -5.019 17.074 398 HH12 ARG 57 2HH1 ARG 57 -0.165 -5.508 18.563 399 HH21 ARG 57 1HH2 ARG 57 0.185 -8.931 17.947 400 HH22 ARG 57 2HH2 ARG 57 -0.383 -7.734 19.060 401 H ASP 58 H ASP 58 2.322 -1.453 14.990 402 HA ASP 58 HA ASP 58 1.642 0.500 13.061 403 HB2 ASP 58 1HB ASP 58 2.741 1.293 14.992 404 HB3 ASP 58 2HB ASP 58 4.032 0.103 14.850 405 H GLU 59 H GLU 59 2.716 1.142 11.175 406 HA GLU 59 HA GLU 59 4.618 -0.801 10.055 407 HB2 GLU 59 1HB GLU 59 2.256 0.430 8.626 408 HB3 GLU 59 2HB GLU 59 3.509 -0.528 7.849 409 HG2 GLU 59 1HG GLU 59 2.851 -2.489 8.987 410 HG3 GLU 59 2HG GLU 59 1.817 -1.585 10.091 411 HA PRO 60 HA PRO 60 7.065 2.740 9.138 412 HB2 PRO 60 1HB PRO 60 8.622 1.686 7.179 413 HB3 PRO 60 2HB PRO 60 8.817 1.275 8.886 414 HG2 PRO 60 1HG PRO 60 7.412 -0.241 6.722 415 HG3 PRO 60 2HG PRO 60 8.489 -0.847 7.993 416 HD2 PRO 60 1HD PRO 60 5.792 -1.032 8.158 417 HD3 PRO 60 2HD PRO 60 6.825 -0.825 9.588 418 H CYS 61 H CYS 61 5.394 4.067 8.259 419 HA CYS 61 HA CYS 61 4.995 3.902 5.361 420 HB2 CYS 61 1HB CYS 61 3.212 5.647 5.818 421 HB3 CYS 61 2HB CYS 61 2.928 4.060 6.524 422 HG CYS 61 HG CYS 61 3.346 7.015 8.022 423 H LEU 62 H LEU 62 5.413 5.630 3.987 424 HA LEU 62 HA LEU 62 6.715 7.998 5.088 425 HB2 LEU 62 1HB LEU 62 8.338 6.037 4.404 426 HB3 LEU 62 2HB LEU 62 8.048 6.665 2.782 427 HG LEU 62 HG LEU 62 10.125 7.518 3.838 428 HD11 LEU 62 1HD1 LEU 62 9.916 9.387 2.642 429 HD12 LEU 62 2HD1 LEU 62 8.593 9.984 3.643 430 HD13 LEU 62 3HD1 LEU 62 8.263 8.859 2.326 431 HD21 LEU 62 1HD2 LEU 62 8.626 9.374 5.563 432 HD22 LEU 62 2HD2 LEU 62 10.186 8.591 5.818 433 HD23 LEU 62 3HD2 LEU 62 8.692 7.702 6.118 434 H LEU 63 H LEU 63 6.398 9.819 3.894 435 HA LEU 63 HA LEU 63 4.569 9.577 1.634 436 HB2 LEU 63 1HB LEU 63 5.452 11.901 3.326 437 HB3 LEU 63 2HB LEU 63 4.454 12.092 1.886 438 HG LEU 63 HG LEU 63 3.611 10.360 4.193 439 HD11 LEU 63 1HD1 LEU 63 3.506 13.316 3.903 440 HD12 LEU 63 2HD1 LEU 63 3.714 12.326 5.347 441 HD13 LEU 63 3HD1 LEU 63 2.120 12.489 4.613 442 HD21 LEU 63 1HD2 LEU 63 1.599 11.760 2.634 443 HD22 LEU 63 2HD2 LEU 63 1.729 10.049 3.037 444 HD23 LEU 63 3HD2 LEU 63 2.603 10.698 1.648 445 H LYS 64 H LYS 64 5.092 10.025 -0.421 446 HA LYS 64 HA LYS 64 7.543 11.495 -1.015 447 HB2 LYS 64 1HB LYS 64 8.441 9.815 -2.465 448 HB3 LYS 64 2HB LYS 64 8.124 9.060 -0.909 449 HG2 LYS 64 1HG LYS 64 6.096 8.060 -1.771 450 HG3 LYS 64 2HG LYS 64 6.323 8.878 -3.318 451 HD2 LYS 64 1HD LYS 64 7.067 6.595 -3.519 452 HD3 LYS 64 2HD LYS 64 8.469 7.664 -3.589 453 HE2 LYS 64 1HE LYS 64 8.935 7.207 -1.233 454 HE3 LYS 64 2HE LYS 64 7.526 6.151 -1.154 455 HZ1 LYS 64 1HZ LYS 64 10.045 5.728 -2.645 456 HZ2 LYS 64 2HZ LYS 64 8.642 4.853 -2.998 457 HZ3 LYS 64 3HZ LYS 64 9.345 4.739 -1.464 458 H ARG 65 H ARG 65 7.653 12.269 -3.198 459 HA ARG 65 HA ARG 65 5.020 12.812 -4.286 460 HB2 ARG 65 1HB ARG 65 6.484 14.697 -4.120 461 HB3 ARG 65 2HB ARG 65 7.774 13.844 -4.958 462 HG2 ARG 65 1HG ARG 65 6.978 15.218 -6.612 463 HG3 ARG 65 2HG ARG 65 6.061 13.741 -6.915 464 HD2 ARG 65 1HD ARG 65 4.103 14.626 -6.030 465 HD3 ARG 65 2HD ARG 65 4.963 15.869 -5.122 466 HE ARG 65 HE ARG 65 5.260 16.177 -7.947 467 HH11 ARG 65 1HH1 ARG 65 3.142 16.785 -5.252 468 HH12 ARG 65 2HH1 ARG 65 2.361 18.137 -6.003 469 HH21 ARG 65 1HH2 ARG 65 4.240 17.954 -8.947 470 HH22 ARG 65 2HH2 ARG 65 2.986 18.800 -8.105 471 H LEU 66 H LEU 66 4.179 11.947 -6.087 472 HA LEU 66 HA LEU 66 5.788 9.954 -7.511 473 HB2 LEU 66 1HB LEU 66 2.821 10.411 -7.321 474 HB3 LEU 66 2HB LEU 66 3.546 9.255 -8.436 475 HG LEU 66 HG LEU 66 3.812 9.139 -5.433 476 HD11 LEU 66 1HD1 LEU 66 1.986 7.833 -5.302 477 HD12 LEU 66 2HD1 LEU 66 2.271 7.090 -6.875 478 HD13 LEU 66 3HD1 LEU 66 1.517 8.681 -6.776 479 HD21 LEU 66 1HD2 LEU 66 5.393 7.998 -7.380 480 HD22 LEU 66 2HD2 LEU 66 4.246 6.718 -6.986 481 HD23 LEU 66 3HD2 LEU 66 5.231 7.441 -5.714 482 HA PRO 67 HA PRO 67 6.062 12.329 -11.194 483 HB2 PRO 67 1HB PRO 67 5.979 10.377 -13.078 484 HB3 PRO 67 2HB PRO 67 7.381 10.647 -12.036 485 HG2 PRO 67 1HG PRO 67 5.190 8.623 -11.779 486 HG3 PRO 67 2HG PRO 67 6.936 8.417 -11.549 487 HD2 PRO 67 1HD PRO 67 5.218 8.705 -9.476 488 HD3 PRO 67 2HD PRO 67 6.888 9.304 -9.422 489 H ASN 68 H ASN 68 4.962 12.788 -13.274 490 HA ASN 68 HA ASN 68 3.123 13.210 -14.551 491 HB2 ASN 68 1HB ASN 68 2.867 10.610 -14.137 492 HB3 ASN 68 2HB ASN 68 1.500 11.126 -13.153 493 HD21 ASN 68 1HD2 ASN 68 2.706 10.634 -16.308 494 HD22 ASN 68 2HD2 ASN 68 1.287 11.112 -17.171 495 H ASN 69 H ASN 69 3.576 14.326 -11.829 496 HA ASN 69 HA ASN 69 2.574 15.817 -10.435 497 HB2 ASN 69 1HB ASN 69 0.170 15.751 -12.257 498 HB3 ASN 69 2HB ASN 69 0.721 17.072 -11.231 499 HD21 ASN 69 1HD2 ASN 69 2.262 18.453 -11.961 500 HD22 ASN 69 2HD2 ASN 69 2.905 18.409 -13.565 501 H HIS 70 H HIS 70 2.449 13.300 -9.548 502 HA HIS 70 HA HIS 70 -0.197 13.185 -8.279 503 HB2 HIS 70 1HB HIS 70 1.329 10.809 -9.368 504 HB3 HIS 70 2HB HIS 70 -0.149 10.715 -8.416 505 HD1 HIS 70 1HD HIS 70 -1.365 13.268 -10.083 506 HD2 HIS 70 2HD HIS 70 -0.012 9.626 -11.552 507 HE1 HIS 70 1HE HIS 70 -2.511 12.971 -12.302 508 HE2 HIS 70 2HE HIS 70 -1.742 10.721 -13.133 509 H ILE 71 H ILE 71 -0.166 11.787 -6.292 510 HA ILE 71 HA ILE 71 2.450 11.576 -5.016 511 HB ILE 71 HB ILE 71 0.175 13.128 -3.779 512 HG12 ILE 71 1HG1 ILE 71 2.917 14.167 -4.466 513 HG13 ILE 71 2HG1 ILE 71 1.590 14.228 -5.621 514 HG21 ILE 71 1HG2 ILE 71 2.477 11.795 -2.645 515 HG22 ILE 71 2HG2 ILE 71 2.484 13.522 -2.293 516 HG23 ILE 71 3HG2 ILE 71 1.094 12.536 -1.840 517 HD11 ILE 71 1HD1 ILE 71 0.355 15.380 -3.595 518 HD12 ILE 71 2HD1 ILE 71 2.011 15.767 -3.127 519 HD13 ILE 71 3HD1 ILE 71 1.394 16.288 -4.694 520 H GLY 72 H GLY 72 2.563 10.042 -3.392 521 HA2 GLY 72 1HA GLY 72 0.126 8.745 -2.472 522 HA3 GLY 72 2HA GLY 72 1.189 7.754 -3.463 523 H ILE 73 H ILE 73 0.744 6.762 -1.074 524 HA ILE 73 HA ILE 73 3.025 7.568 0.604 525 HB ILE 73 HB ILE 73 0.783 7.665 1.681 526 HG12 ILE 73 1HG1 ILE 73 2.250 5.455 3.050 527 HG13 ILE 73 2HG1 ILE 73 3.099 6.974 2.779 528 HG21 ILE 73 1HG2 ILE 73 -0.670 6.038 1.266 529 HG22 ILE 73 2HG2 ILE 73 0.583 5.039 0.533 530 HG23 ILE 73 3HG2 ILE 73 0.311 4.974 2.274 531 HD11 ILE 73 1HD1 ILE 73 0.629 6.487 4.404 532 HD12 ILE 73 2HD1 ILE 73 2.185 7.132 4.928 533 HD13 ILE 73 3HD1 ILE 73 1.128 8.102 3.902 534 H SER 74 H SER 74 4.426 5.998 1.427 535 HA SER 74 HA SER 74 4.266 3.365 0.112 536 HB2 SER 74 1HB SER 74 6.527 5.288 0.347 537 HB3 SER 74 2HB SER 74 6.908 3.571 0.479 538 HG SER 74 HG SER 74 5.602 4.885 -1.669 539 H PHE 75 H PHE 75 4.059 1.745 1.493 540 HA PHE 75 HA PHE 75 5.567 1.688 3.959 541 HB2 PHE 75 1HB PHE 75 3.787 1.630 5.477 542 HB3 PHE 75 2HB PHE 75 3.328 2.919 4.369 543 HD1 PHE 75 2HD PHE 75 2.638 -0.516 5.442 544 HD2 PHE 75 1HD PHE 75 1.455 2.678 2.890 545 HE1 PHE 75 2HE PHE 75 0.505 -1.661 5.002 546 HE2 PHE 75 1HE PHE 75 -0.681 1.539 2.448 547 HZ PHE 75 HZ PHE 75 -1.157 -0.634 3.504 548 H ILE 76 H ILE 76 5.641 -0.395 4.927 549 HA ILE 76 HA ILE 76 5.017 -2.535 3.030 550 HB ILE 76 HB ILE 76 6.795 -2.560 5.472 551 HG12 ILE 76 1HG1 ILE 76 7.720 -2.872 2.637 552 HG13 ILE 76 2HG1 ILE 76 7.433 -1.263 3.290 553 HG21 ILE 76 1HG2 ILE 76 7.561 -4.733 4.176 554 HG22 ILE 76 2HG2 ILE 76 6.234 -4.766 5.335 555 HG23 ILE 76 3HG2 ILE 76 5.893 -4.687 3.606 556 HD11 ILE 76 1HD1 ILE 76 9.214 -1.369 4.699 557 HD12 ILE 76 2HD1 ILE 76 9.132 -3.124 4.853 558 HD13 ILE 76 3HD1 ILE 76 9.801 -2.398 3.393 559 HA PRO 77 HA PRO 77 1.561 -3.398 5.802 560 HB2 PRO 77 1HB PRO 77 0.322 -5.090 4.077 561 HB3 PRO 77 2HB PRO 77 0.201 -3.331 3.950 562 HG2 PRO 77 1HG PRO 77 1.954 -5.224 2.432 563 HG3 PRO 77 2HG PRO 77 1.028 -3.834 1.836 564 HD2 PRO 77 1HD PRO 77 3.690 -3.712 2.313 565 HD3 PRO 77 2HD PRO 77 2.616 -2.315 2.533 566 H ARG 78 H ARG 78 1.599 -4.877 7.368 567 HA ARG 78 HA ARG 78 3.098 -7.356 6.933 568 HB2 ARG 78 1HB ARG 78 2.445 -5.689 9.308 569 HB3 ARG 78 2HB ARG 78 2.613 -7.421 9.560 570 HG2 ARG 78 1HG ARG 78 4.712 -6.341 9.999 571 HG3 ARG 78 2HG ARG 78 4.856 -7.320 8.537 572 HD2 ARG 78 1HD ARG 78 4.519 -5.299 7.176 573 HD3 ARG 78 2HD ARG 78 4.424 -4.336 8.650 574 HE ARG 78 HE ARG 78 6.791 -5.277 7.368 575 HH11 ARG 78 1HH1 ARG 78 5.401 -4.501 10.465 576 HH12 ARG 78 2HH1 ARG 78 6.926 -4.143 11.205 577 HH21 ARG 78 1HH2 ARG 78 8.804 -4.807 8.332 578 HH22 ARG 78 2HH2 ARG 78 8.861 -4.317 9.991 579 H GLU 79 H GLU 79 -0.089 -6.143 7.552 580 HA GLU 79 HA GLU 79 -1.101 -8.906 7.524 581 HB2 GLU 79 1HB GLU 79 -1.187 -7.662 9.799 582 HB3 GLU 79 2HB GLU 79 -2.491 -6.736 9.067 583 HG2 GLU 79 1HG GLU 79 -3.903 -8.557 8.954 584 HG3 GLU 79 2HG GLU 79 -2.579 -9.718 9.026 585 H VAL 80 H VAL 80 -3.480 -8.968 6.942 586 HA VAL 80 HA VAL 80 -3.990 -7.004 4.804 587 HB VAL 80 HB VAL 80 -5.332 -8.721 3.691 588 HG11 VAL 80 1HG1 VAL 80 -2.793 -8.481 3.412 589 HG12 VAL 80 2HG1 VAL 80 -2.686 -9.978 4.342 590 HG13 VAL 80 3HG1 VAL 80 -3.554 -9.952 2.807 591 HG21 VAL 80 1HG2 VAL 80 -4.399 -10.577 5.880 592 HG22 VAL 80 2HG2 VAL 80 -6.032 -9.926 5.730 593 HG23 VAL 80 3HG2 VAL 80 -5.396 -11.005 4.489 594 H GLY 81 H GLY 81 -6.022 -6.097 4.588 595 HA2 GLY 81 1HA GLY 81 -8.443 -6.624 5.484 596 HA3 GLY 81 2HA GLY 81 -7.666 -6.213 7.005 597 H GLU 82 H GLU 82 -8.738 -4.352 7.475 598 HA GLU 82 HA GLU 82 -8.725 -2.216 5.460 599 HB2 GLU 82 1HB GLU 82 -10.903 -2.825 6.479 600 HB3 GLU 82 2HB GLU 82 -10.266 -2.379 8.056 601 HG2 GLU 82 1HG GLU 82 -10.079 -0.094 7.419 602 HG3 GLU 82 2HG GLU 82 -10.452 -0.474 5.740 603 H HIS 83 H HIS 83 -6.790 -1.213 5.604 604 HA HIS 83 HA HIS 83 -5.660 -0.577 8.209 605 HB2 HIS 83 1HB HIS 83 -4.665 -0.384 5.382 606 HB3 HIS 83 2HB HIS 83 -3.841 0.475 6.680 607 HD1 HIS 83 1HD HIS 83 -5.101 -3.097 6.215 608 HD2 HIS 83 2HD HIS 83 -1.790 -1.004 7.602 609 HE1 HIS 83 1HE HIS 83 -3.454 -4.851 6.946 610 HE2 HIS 83 2HE HIS 83 -1.493 -3.561 7.861 611 H LEU 84 H LEU 84 -5.391 1.472 9.025 612 HA LEU 84 HA LEU 84 -6.825 3.616 7.601 613 HB2 LEU 84 1HB LEU 84 -6.689 2.878 10.492 614 HB3 LEU 84 2HB LEU 84 -6.977 4.556 10.033 615 HG LEU 84 HG LEU 84 -8.708 2.239 9.178 616 HD11 LEU 84 1HD1 LEU 84 -10.299 3.528 10.824 617 HD12 LEU 84 2HD1 LEU 84 -8.775 4.008 11.569 618 HD13 LEU 84 3HD1 LEU 84 -9.181 2.299 11.416 619 HD21 LEU 84 1HD2 LEU 84 -9.063 3.907 7.616 620 HD22 LEU 84 2HD2 LEU 84 -8.804 5.202 8.785 621 HD23 LEU 84 3HD2 LEU 84 -10.295 4.260 8.828 622 H VAL 85 H VAL 85 -5.484 5.083 6.804 623 HA VAL 85 HA VAL 85 -2.876 5.502 8.057 624 HB VAL 85 HB VAL 85 -3.829 6.788 5.509 625 HG11 VAL 85 1HG1 VAL 85 -1.851 7.803 5.906 626 HG12 VAL 85 2HG1 VAL 85 -1.270 6.504 6.949 627 HG13 VAL 85 3HG1 VAL 85 -1.201 6.326 5.196 628 HG21 VAL 85 1HG2 VAL 85 -4.181 4.509 5.054 629 HG22 VAL 85 2HG2 VAL 85 -2.588 4.866 4.387 630 HG23 VAL 85 3HG2 VAL 85 -2.729 4.023 5.929 631 H SER 86 H SER 86 -2.573 7.119 9.427 632 HA SER 86 HA SER 86 -4.553 9.230 9.650 633 HB2 SER 86 1HB SER 86 -2.053 9.055 11.311 634 HB3 SER 86 2HB SER 86 -3.632 9.707 11.750 635 HG SER 86 HG SER 86 -4.233 7.314 11.291 636 H ILE 87 H ILE 87 -4.382 10.935 8.358 637 HA ILE 87 HA ILE 87 -1.694 12.025 7.831 638 HB ILE 87 HB ILE 87 -4.084 12.254 6.002 639 HG12 ILE 87 1HG1 ILE 87 -3.453 9.964 5.944 640 HG13 ILE 87 2HG1 ILE 87 -2.706 10.704 4.532 641 HG21 ILE 87 1HG2 ILE 87 -1.275 12.717 5.144 642 HG22 ILE 87 2HG2 ILE 87 -2.771 13.441 4.556 643 HG23 ILE 87 3HG2 ILE 87 -2.082 13.967 6.092 644 HD11 ILE 87 1HD1 ILE 87 -0.695 10.979 6.255 645 HD12 ILE 87 2HD1 ILE 87 -1.472 9.558 6.955 646 HD13 ILE 87 3HD1 ILE 87 -0.930 9.530 5.277 647 H LYS 88 H LYS 88 -1.379 13.887 8.835 648 HA LYS 88 HA LYS 88 -3.574 15.834 8.943 649 HB2 LYS 88 1HB LYS 88 -1.746 15.644 11.291 650 HB3 LYS 88 2HB LYS 88 -3.412 16.201 11.209 651 HG2 LYS 88 1HG LYS 88 -4.260 14.016 11.215 652 HG3 LYS 88 2HG LYS 88 -2.687 13.316 10.828 653 HD2 LYS 88 1HD LYS 88 -1.860 14.110 13.036 654 HD3 LYS 88 2HD LYS 88 -3.500 14.639 13.414 655 HE2 LYS 88 1HE LYS 88 -4.106 12.168 12.782 656 HE3 LYS 88 2HE LYS 88 -2.405 11.878 13.143 657 HZ1 LYS 88 1HZ LYS 88 -3.674 11.508 15.109 658 HZ2 LYS 88 2HZ LYS 88 -4.447 13.007 14.975 659 HZ3 LYS 88 3HZ LYS 88 -2.794 12.937 15.331 660 H LYS 89 H LYS 89 -2.680 18.032 9.699 661 HA LYS 89 HA LYS 89 -0.009 18.456 8.532 662 HB2 LYS 89 1HB LYS 89 -1.701 19.239 6.964 663 HB3 LYS 89 2HB LYS 89 -2.459 20.202 8.226 664 HG2 LYS 89 1HG LYS 89 -0.360 21.522 8.396 665 HG3 LYS 89 2HG LYS 89 0.261 20.625 7.009 666 HD2 LYS 89 1HD LYS 89 -2.041 21.404 5.948 667 HD3 LYS 89 2HD LYS 89 -1.873 22.692 7.142 668 HE2 LYS 89 1HE LYS 89 0.583 22.783 6.164 669 HE3 LYS 89 2HE LYS 89 -0.207 22.073 4.756 670 HZ1 LYS 89 1HZ LYS 89 -1.803 23.941 4.831 671 HZ2 LYS 89 2HZ LYS 89 -0.213 24.435 4.533 672 HZ3 LYS 89 3HZ LYS 89 -0.890 24.647 6.069 673 H ASN 90 H ASN 90 1.230 18.834 10.274 674 HA ASN 90 HA ASN 90 2.093 19.869 12.107 675 HB2 ASN 90 1HB ASN 90 0.232 21.980 11.058 676 HB3 ASN 90 2HB ASN 90 1.093 22.227 12.574 677 HD21 ASN 90 1HD2 ASN 90 1.203 22.714 9.326 678 HD22 ASN 90 2HD2 ASN 90 2.904 22.946 9.127 679 H GLY 91 H GLY 91 -0.289 18.109 12.295 680 HA2 GLY 91 1HA GLY 91 -1.170 17.256 14.328 681 HA3 GLY 91 2HA GLY 91 -1.028 18.861 15.031 682 H ASN 92 H ASN 92 -2.363 18.737 11.884 683 HA ASN 92 HA ASN 92 -5.093 18.833 12.973 684 HB2 ASN 92 1HB ASN 92 -3.805 20.775 11.056 685 HB3 ASN 92 2HB ASN 92 -5.550 20.643 11.245 686 HD21 ASN 92 1HD2 ASN 92 -2.677 21.960 12.463 687 HD22 ASN 92 2HD2 ASN 92 -3.338 22.716 13.869 688 H HIS 93 H HIS 93 -5.846 16.932 12.207 689 HA HIS 93 HA HIS 93 -5.236 15.437 10.078 690 HB2 HIS 93 1HB HIS 93 -7.838 16.021 11.396 691 HB3 HIS 93 2HB HIS 93 -7.885 15.136 9.874 692 HD1 HIS 93 1HD HIS 93 -6.911 12.742 9.863 693 HD2 HIS 93 2HD HIS 93 -6.778 14.614 13.571 694 HE1 HIS 93 1HE HIS 93 -6.379 10.922 11.516 695 HE2 HIS 93 2HE HIS 93 -6.388 12.064 13.762 696 H VAL 94 H VAL 94 -5.738 15.281 7.886 697 HA VAL 94 HA VAL 94 -6.512 17.830 6.640 698 HB VAL 94 HB VAL 94 -5.348 17.073 4.638 699 HG11 VAL 94 1HG1 VAL 94 -4.174 17.822 7.038 700 HG12 VAL 94 2HG1 VAL 94 -3.190 16.471 6.471 701 HG13 VAL 94 3HG1 VAL 94 -3.434 17.881 5.440 702 HG21 VAL 94 1HG2 VAL 94 -4.603 14.976 4.273 703 HG22 VAL 94 2HG2 VAL 94 -4.097 14.750 5.947 704 HG23 VAL 94 3HG2 VAL 94 -5.793 14.554 5.505 705 H ALA 95 H ALA 95 -7.267 17.215 4.196 706 HA ALA 95 HA ALA 95 -9.849 16.043 4.550 707 HB1 ALA 95 1HB ALA 95 -8.774 16.567 1.830 708 HB2 ALA 95 2HB ALA 95 -10.369 16.906 2.503 709 HB3 ALA 95 3HB ALA 95 -9.001 17.937 2.917 710 H ASN 96 H ASN 96 -10.675 14.146 3.694 711 HA ASN 96 HA ASN 96 -10.692 11.978 3.005 712 HB2 ASN 96 1HB ASN 96 -8.091 12.591 1.589 713 HB3 ASN 96 2HB ASN 96 -9.234 11.304 1.214 714 HD21 ASN 96 1HD2 ASN 96 -8.187 14.276 0.312 715 HD22 ASN 96 2HD2 ASN 96 -9.575 14.820 -0.561 716 H SER 97 H SER 97 -9.312 12.825 5.461 717 HA SER 97 HA SER 97 -7.580 10.465 5.790 718 HB2 SER 97 1HB SER 97 -6.109 12.359 5.824 719 HB3 SER 97 2HB SER 97 -7.182 13.246 6.907 720 HG SER 97 HG SER 97 -5.824 12.439 8.331 721 HA PRO 98 HA PRO 98 -6.486 9.531 7.510 722 HB2 PRO 98 1HB PRO 98 -7.038 6.994 8.303 723 HB3 PRO 98 2HB PRO 98 -6.541 8.265 9.427 724 HG2 PRO 98 1HG PRO 98 -9.287 7.236 8.825 725 HG3 PRO 98 2HG PRO 98 -8.561 7.638 10.393 726 HD2 PRO 98 1HD PRO 98 -10.257 9.307 9.101 727 HD3 PRO 98 2HD PRO 98 -8.933 9.896 10.127 728 H VAL 99 H VAL 99 -5.793 8.026 5.912 729 HA VAL 99 HA VAL 99 -7.681 7.700 3.758 730 HB VAL 99 HB VAL 99 -4.866 6.633 3.807 731 HG11 VAL 99 1HG1 VAL 99 -6.364 7.766 1.469 732 HG12 VAL 99 2HG1 VAL 99 -4.982 6.668 1.477 733 HG13 VAL 99 3HG1 VAL 99 -6.573 6.086 1.967 734 HG21 VAL 99 1HG2 VAL 99 -5.628 9.328 4.156 735 HG22 VAL 99 2HG2 VAL 99 -4.013 8.684 3.862 736 HG23 VAL 99 3HG2 VAL 99 -5.029 9.169 2.504 737 H SER 100 H SER 100 -8.995 6.018 3.596 738 HA SER 100 HA SER 100 -8.516 3.598 5.096 739 HB2 SER 100 1HB SER 100 -10.717 2.938 4.432 740 HB3 SER 100 2HB SER 100 -10.792 4.663 4.789 741 HG SER 100 HG SER 100 -11.026 3.330 2.359 742 H ILE 101 H ILE 101 -7.247 2.041 4.357 743 HA ILE 101 HA ILE 101 -7.199 1.522 1.456 744 HB ILE 101 HB ILE 101 -4.943 1.188 3.435 745 HG12 ILE 101 1HG1 ILE 101 -5.128 2.978 1.006 746 HG13 ILE 101 2HG1 ILE 101 -5.456 3.521 2.648 747 HG21 ILE 101 1HG2 ILE 101 -5.246 0.343 0.576 748 HG22 ILE 101 2HG2 ILE 101 -3.660 0.678 1.268 749 HG23 ILE 101 3HG2 ILE 101 -4.671 -0.593 1.956 750 HD11 ILE 101 1HD1 ILE 101 -2.858 2.652 1.447 751 HD12 ILE 101 2HD1 ILE 101 -3.262 4.172 2.245 752 HD13 ILE 101 3HD1 ILE 101 -3.102 2.693 3.192 753 H MET 102 H MET 102 -7.341 -0.576 0.761 754 HA MET 102 HA MET 102 -7.967 -2.568 2.836 755 HB2 MET 102 1HB MET 102 -9.838 -2.043 1.337 756 HB3 MET 102 2HB MET 102 -8.850 -2.474 -0.053 757 HG2 MET 102 1HG MET 102 -10.013 -4.404 0.200 758 HG3 MET 102 2HG MET 102 -8.630 -4.756 1.234 759 HE1 MET 102 1HE MET 102 -9.780 -5.731 4.286 760 HE2 MET 102 2HE MET 102 -10.571 -6.705 3.047 761 HE3 MET 102 3HE MET 102 -8.949 -6.071 2.768 762 H VAL 103 H VAL 103 -6.501 -4.101 3.140 763 HA VAL 103 HA VAL 103 -4.648 -4.740 0.942 764 HB VAL 103 HB VAL 103 -4.259 -5.187 3.905 765 HG11 VAL 103 1HG1 VAL 103 -2.175 -5.371 1.749 766 HG12 VAL 103 2HG1 VAL 103 -2.088 -5.941 3.417 767 HG13 VAL 103 3HG1 VAL 103 -3.128 -6.766 2.255 768 HG21 VAL 103 1HG2 VAL 103 -2.627 -3.373 3.774 769 HG22 VAL 103 2HG2 VAL 103 -3.034 -3.121 2.076 770 HG23 VAL 103 3HG2 VAL 103 -4.239 -2.811 3.327 771 H VAL 104 H VAL 104 -4.441 -6.797 0.224 772 HA VAL 104 HA VAL 104 -5.761 -8.959 1.690 773 HB VAL 104 HB VAL 104 -6.801 -9.813 -0.384 774 HG11 VAL 104 1HG1 VAL 104 -8.610 -8.091 -0.514 775 HG12 VAL 104 2HG1 VAL 104 -8.206 -8.608 1.125 776 HG13 VAL 104 3HG1 VAL 104 -7.620 -7.059 0.517 777 HG21 VAL 104 1HG2 VAL 104 -6.691 -7.250 -1.785 778 HG22 VAL 104 2HG2 VAL 104 -5.133 -8.071 -1.678 779 HG23 VAL 104 3HG2 VAL 104 -6.514 -8.891 -2.407 780 H GLN 105 H GLN 105 -4.852 -10.969 1.399 781 HA GLN 105 HA GLN 105 -2.154 -11.088 0.634 782 HB2 GLN 105 1HB GLN 105 -3.978 -13.480 0.783 783 HB3 GLN 105 2HB GLN 105 -2.254 -13.406 1.117 784 HG2 GLN 105 1HG GLN 105 -2.766 -11.951 3.073 785 HG3 GLN 105 2HG GLN 105 -4.478 -12.246 2.774 786 HE21 GLN 105 1HE2 GLN 105 -1.583 -14.300 2.767 787 HE22 GLN 105 2HE2 GLN 105 -2.204 -15.473 3.872 788 H SER 106 H SER 106 -1.449 -10.819 -1.379 789 HA SER 106 HA SER 106 -2.869 -12.224 -3.548 790 HB2 SER 106 1HB SER 106 -2.946 -9.650 -3.537 791 HB3 SER 106 2HB SER 106 -1.237 -9.724 -3.967 792 HG SER 106 HG SER 106 -3.452 -10.723 -5.420 793 H GLU 107 H GLU 107 -1.668 -14.015 -3.841 794 HA GLU 107 HA GLU 107 1.251 -13.752 -3.973 795 HB2 GLU 107 1HB GLU 107 1.392 -16.088 -3.594 796 HB3 GLU 107 2HB GLU 107 0.168 -15.490 -2.484 797 HG2 GLU 107 1HG GLU 107 -0.482 -16.723 -5.145 798 HG3 GLU 107 2HG GLU 107 -0.373 -17.643 -3.646 799 H ILE 108 H ILE 108 2.379 -14.112 -5.807 800 HA ILE 108 HA ILE 108 0.876 -14.293 -8.280 801 HB ILE 108 HB ILE 108 3.850 -13.990 -7.848 802 HG12 ILE 108 1HG1 ILE 108 2.562 -12.089 -6.969 803 HG13 ILE 108 2HG1 ILE 108 3.482 -11.628 -8.398 804 HG21 ILE 108 1HG2 ILE 108 2.224 -13.552 -10.348 805 HG22 ILE 108 2HG2 ILE 108 3.970 -13.384 -10.178 806 HG23 ILE 108 3HG2 ILE 108 3.218 -14.972 -10.029 807 HD11 ILE 108 1HD1 ILE 108 0.548 -12.296 -8.354 808 HD12 ILE 108 2HD1 ILE 108 1.236 -10.672 -8.395 809 HD13 ILE 108 3HD1 ILE 108 1.479 -11.769 -9.755 810 H GLY 109 H GLY 109 3.696 -16.006 -6.907 811 HA2 GLY 109 1HA GLY 109 3.358 -18.182 -8.784 812 HA3 GLY 109 2HA GLY 109 4.590 -18.058 -7.537 813 H ASP 110 H ASP 110 4.154 -20.320 -7.136 814 HA ASP 110 HA ASP 110 2.195 -20.645 -5.044 815 HB2 ASP 110 1HB ASP 110 0.637 -21.268 -6.626 816 HB3 ASP 110 2HB ASP 110 1.856 -21.892 -7.735 817 H SER 111 H SER 111 3.154 -21.767 -3.494 818 HA SER 111 HA SER 111 4.736 -23.012 -2.409 819 HB2 SER 111 1HB SER 111 3.875 -24.845 -4.648 820 HB3 SER 111 2HB SER 111 4.942 -25.371 -3.346 821 HG SER 111 HG SER 111 2.234 -24.906 -3.327 822 H GLY 112 H GLY 112 5.941 -21.120 -4.000 823 HA2 GLY 112 1HA GLY 112 8.167 -20.674 -4.522 824 HA3 GLY 112 2HA GLY 112 8.492 -22.401 -4.501 825 HA PRO 113 HA PRO 113 8.689 -21.074 -8.905 826 HB2 PRO 113 1HB PRO 113 10.804 -22.663 -9.512 827 HB3 PRO 113 2HB PRO 113 10.985 -21.048 -8.817 828 HG2 PRO 113 1HG PRO 113 11.095 -23.716 -7.464 829 HG3 PRO 113 2HG PRO 113 12.139 -22.303 -7.235 830 HD2 PRO 113 1HD PRO 113 10.122 -22.914 -5.535 831 HD3 PRO 113 2HD PRO 113 10.617 -21.242 -5.867 832 H SER 114 H SER 114 7.255 -22.027 -10.194 833 HA SER 114 HA SER 114 6.853 -24.926 -9.992 834 HB2 SER 114 1HB SER 114 5.115 -22.755 -11.188 835 HB3 SER 114 2HB SER 114 4.725 -24.475 -11.225 836 HG SER 114 HG SER 114 4.644 -22.674 -9.117 837 H SER 115 H SER 115 8.654 -25.550 -11.239 838 HA SER 115 HA SER 115 9.901 -25.904 -13.130 839 HB2 SER 115 1HB SER 115 8.519 -26.723 -15.045 840 HB3 SER 115 2HB SER 115 8.080 -27.455 -13.503 841 HG SER 115 HG SER 115 6.733 -25.134 -14.262 842 H GLY 116 H GLY 116 9.716 -23.187 -12.633 843 HA2 GLY 116 1HA GLY 116 8.848 -21.736 -14.942 844 HA3 GLY 116 2HA GLY 116 9.824 -21.106 -13.623 Start of MODEL 6 1 H1 GLY 1 H GLY 1 5.873 -13.713 -9.071 2 HA2 GLY 1 1HA GLY 1 3.347 -12.973 -9.646 3 HA3 GLY 1 2HA GLY 1 4.235 -12.340 -11.025 4 H SER 2 H SER 2 4.353 -13.634 -12.726 5 HA SER 2 HA SER 2 4.692 -16.495 -12.390 6 HB2 SER 2 1HB SER 2 2.761 -16.978 -13.943 7 HB3 SER 2 2HB SER 2 2.296 -16.411 -12.341 8 HG SER 2 HG SER 2 2.392 -14.896 -14.738 9 H SER 3 H SER 3 5.269 -17.579 -14.370 10 HA SER 3 HA SER 3 7.066 -16.130 -15.952 11 HB2 SER 3 1HB SER 3 7.348 -18.508 -15.694 12 HB3 SER 3 2HB SER 3 5.768 -18.824 -16.410 13 HG SER 3 HG SER 3 7.640 -17.386 -17.908 14 H GLY 4 H GLY 4 3.784 -17.288 -16.676 15 HA2 GLY 4 1HA GLY 4 3.202 -15.069 -18.343 16 HA3 GLY 4 2HA GLY 4 3.612 -16.467 -19.326 17 H SER 5 H SER 5 1.652 -16.920 -20.196 18 HA SER 5 HA SER 5 -0.688 -17.101 -18.476 19 HB2 SER 5 1HB SER 5 -1.904 -17.544 -20.606 20 HB3 SER 5 2HB SER 5 -0.997 -16.033 -20.633 21 HG SER 5 HG SER 5 -0.698 -17.265 -22.544 22 H SER 6 H SER 6 -1.177 -18.920 -17.463 23 HA SER 6 HA SER 6 -0.311 -21.473 -18.652 24 HB2 SER 6 1HB SER 6 0.736 -20.811 -16.440 25 HB3 SER 6 2HB SER 6 -0.865 -20.986 -15.721 26 HG SER 6 HG SER 6 0.089 -23.100 -17.265 27 H GLY 7 H GLY 7 -2.773 -20.212 -16.390 28 HA2 GLY 7 1HA GLY 7 -5.069 -20.510 -16.410 29 HA3 GLY 7 2HA GLY 7 -4.908 -21.354 -17.942 30 H ILE 8 H ILE 8 -5.981 -21.752 -14.927 31 HA ILE 8 HA ILE 8 -4.902 -24.345 -14.311 32 HB ILE 8 HB ILE 8 -6.638 -24.394 -12.534 33 HG12 ILE 8 1HG1 ILE 8 -7.306 -21.548 -13.157 34 HG13 ILE 8 2HG1 ILE 8 -8.142 -22.824 -14.035 35 HG21 ILE 8 1HG2 ILE 8 -5.405 -23.080 -11.151 36 HG22 ILE 8 2HG2 ILE 8 -4.321 -23.088 -12.541 37 HG23 ILE 8 3HG2 ILE 8 -5.396 -21.718 -12.271 38 HD11 ILE 8 1HD1 ILE 8 -8.694 -23.796 -11.748 39 HD12 ILE 8 2HD1 ILE 8 -8.181 -22.238 -11.101 40 HD13 ILE 8 3HD1 ILE 8 -9.530 -22.321 -12.233 41 HA PRO 9 HA PRO 9 -7.640 -26.829 -16.696 42 HB2 PRO 9 1HB PRO 9 -7.589 -29.102 -15.212 43 HB3 PRO 9 2HB PRO 9 -6.231 -28.581 -16.218 44 HG2 PRO 9 1HG PRO 9 -6.632 -28.269 -13.268 45 HG3 PRO 9 2HG PRO 9 -5.170 -28.738 -14.155 46 HD2 PRO 9 1HD PRO 9 -5.562 -26.229 -13.215 47 HD3 PRO 9 2HD PRO 9 -4.652 -26.560 -14.704 48 H GLY 10 H GLY 10 -9.722 -26.153 -16.654 49 HA2 GLY 10 1HA GLY 10 -11.874 -27.205 -15.781 50 HA3 GLY 10 2HA GLY 10 -11.288 -26.679 -14.210 51 H SER 11 H SER 11 -13.508 -25.954 -16.382 52 HA SER 11 HA SER 11 -13.215 -23.239 -16.979 53 HB2 SER 11 1HB SER 11 -15.639 -25.000 -16.649 54 HB3 SER 11 2HB SER 11 -15.787 -23.293 -17.064 55 HG SER 11 HG SER 11 -14.013 -24.849 -18.554 56 HA PRO 12 HA PRO 12 -13.744 -21.214 -13.108 57 HB2 PRO 12 1HB PRO 12 -14.593 -18.795 -14.000 58 HB3 PRO 12 2HB PRO 12 -12.918 -19.339 -14.147 59 HG2 PRO 12 1HG PRO 12 -15.102 -19.354 -16.195 60 HG3 PRO 12 2HG PRO 12 -13.398 -18.896 -16.379 61 HD2 PRO 12 1HD PRO 12 -14.351 -21.307 -17.160 62 HD3 PRO 12 2HD PRO 12 -12.698 -21.085 -16.552 63 H PHE 13 H PHE 13 -15.499 -19.487 -12.220 64 HA PHE 13 HA PHE 13 -17.983 -20.980 -12.176 65 HB2 PHE 13 1HB PHE 13 -16.863 -20.053 -10.106 66 HB3 PHE 13 2HB PHE 13 -17.327 -18.448 -10.664 67 HD1 PHE 13 1HD PHE 13 -19.123 -21.716 -10.549 68 HD2 PHE 13 2HD PHE 13 -19.025 -17.631 -9.357 69 HE1 PHE 13 1HE PHE 13 -21.319 -21.982 -9.471 70 HE2 PHE 13 2HE PHE 13 -21.220 -17.890 -8.277 71 HZ PHE 13 HZ PHE 13 -22.370 -20.068 -8.332 72 H THR 14 H THR 14 -20.027 -20.125 -12.653 73 HA THR 14 HA THR 14 -20.503 -18.896 -14.965 74 HB THR 14 HB THR 14 -22.117 -18.207 -12.504 75 HG1 THR 14 1HG THR 14 -22.632 -20.383 -14.242 76 HG21 THR 14 1HG2 THR 14 -23.966 -17.952 -14.025 77 HG22 THR 14 2HG2 THR 14 -22.978 -18.489 -15.384 78 HG23 THR 14 3HG2 THR 14 -22.633 -16.950 -14.595 79 H ALA 15 H ALA 15 -20.677 -16.939 -11.987 80 HA ALA 15 HA ALA 15 -20.226 -14.520 -13.501 81 HB1 ALA 15 1HB ALA 15 -20.144 -14.325 -10.579 82 HB2 ALA 15 2HB ALA 15 -21.129 -13.448 -11.751 83 HB3 ALA 15 3HB ALA 15 -21.615 -15.058 -11.222 84 H LYS 16 H LYS 16 -18.429 -13.234 -13.478 85 HA LYS 16 HA LYS 16 -16.039 -14.368 -12.179 86 HB2 LYS 16 1HB LYS 16 -16.313 -12.807 -14.749 87 HB3 LYS 16 2HB LYS 16 -14.766 -13.140 -13.981 88 HG2 LYS 16 1HG LYS 16 -14.949 -15.447 -14.364 89 HG3 LYS 16 2HG LYS 16 -16.671 -15.332 -14.736 90 HD2 LYS 16 1HD LYS 16 -15.957 -13.856 -16.703 91 HD3 LYS 16 2HD LYS 16 -14.326 -14.460 -16.402 92 HE2 LYS 16 1HE LYS 16 -15.378 -15.801 -18.109 93 HE3 LYS 16 2HE LYS 16 -15.175 -16.767 -16.649 94 HZ1 LYS 16 1HZ LYS 16 -17.451 -16.589 -16.150 95 HZ2 LYS 16 2HZ LYS 16 -17.384 -16.954 -17.800 96 HZ3 LYS 16 3HZ LYS 16 -17.705 -15.372 -17.297 97 H ILE 17 H ILE 17 -17.929 -11.492 -12.770 98 HA ILE 17 HA ILE 17 -16.120 -9.581 -11.767 99 HB ILE 17 HB ILE 17 -19.116 -9.605 -12.008 100 HG12 ILE 17 1HG1 ILE 17 -18.446 -7.647 -13.577 101 HG13 ILE 17 2HG1 ILE 17 -16.824 -8.321 -13.468 102 HG21 ILE 17 1HG2 ILE 17 -18.937 -7.126 -11.470 103 HG22 ILE 17 2HG2 ILE 17 -18.816 -8.246 -10.114 104 HG23 ILE 17 3HG2 ILE 17 -17.361 -7.503 -10.776 105 HD11 ILE 17 1HD1 ILE 17 -17.309 -9.968 -14.880 106 HD12 ILE 17 2HD1 ILE 17 -18.844 -10.317 -14.085 107 HD13 ILE 17 3HD1 ILE 17 -18.745 -9.028 -15.283 108 H THR 18 H THR 18 -15.831 -8.701 -9.747 109 HA THR 18 HA THR 18 -15.972 -10.338 -7.522 110 HB THR 18 HB THR 18 -15.964 -7.314 -7.503 111 HG1 THR 18 1HG THR 18 -13.999 -7.514 -8.238 112 HG21 THR 18 1HG2 THR 18 -15.043 -7.456 -5.316 113 HG22 THR 18 2HG2 THR 18 -14.845 -9.204 -5.439 114 HG23 THR 18 3HG2 THR 18 -16.461 -8.504 -5.329 115 H ASP 19 H ASP 19 -17.321 -10.446 -5.720 116 HA ASP 19 HA ASP 19 -19.974 -10.639 -5.972 117 HB2 ASP 19 1HB ASP 19 -18.556 -11.081 -3.895 118 HB3 ASP 19 2HB ASP 19 -18.819 -9.388 -3.482 119 H ASP 20 H ASP 20 -18.549 -7.672 -4.589 120 HA ASP 20 HA ASP 20 -20.947 -6.208 -5.422 121 HB2 ASP 20 1HB ASP 20 -18.833 -5.749 -3.351 122 HB3 ASP 20 2HB ASP 20 -19.739 -4.373 -3.976 123 H SER 21 H SER 21 -20.411 -3.805 -5.980 124 HA SER 21 HA SER 21 -18.490 -3.903 -8.189 125 HB2 SER 21 1HB SER 21 -21.026 -3.125 -8.301 126 HB3 SER 21 2HB SER 21 -20.332 -1.586 -7.792 127 HG SER 21 HG SER 21 -20.408 -2.554 -10.220 128 H ARG 22 H ARG 22 -17.366 -3.695 -5.653 129 HA ARG 22 HA ARG 22 -16.665 -0.880 -5.307 130 HB2 ARG 22 1HB ARG 22 -15.765 -1.476 -3.200 131 HB3 ARG 22 2HB ARG 22 -17.263 -2.384 -3.356 132 HG2 ARG 22 1HG ARG 22 -14.807 -3.739 -4.275 133 HG3 ARG 22 2HG ARG 22 -14.962 -3.469 -2.538 134 HD2 ARG 22 1HD ARG 22 -17.315 -4.557 -3.981 135 HD3 ARG 22 2HD ARG 22 -15.938 -5.631 -3.739 136 HE ARG 22 HE ARG 22 -16.852 -4.243 -1.371 137 HH11 ARG 22 1HH1 ARG 22 -17.065 -7.111 -3.333 138 HH12 ARG 22 2HH1 ARG 22 -17.667 -8.104 -2.048 139 HH21 ARG 22 1HH2 ARG 22 -17.646 -5.540 0.330 140 HH22 ARG 22 2HH2 ARG 22 -17.998 -7.209 0.035 141 H ARG 23 H ARG 23 -14.213 -0.664 -4.583 142 HA ARG 23 HA ARG 23 -12.551 -2.101 -6.542 143 HB2 ARG 23 1HB ARG 23 -11.276 0.031 -6.859 144 HB3 ARG 23 2HB ARG 23 -12.922 0.072 -7.478 145 HG2 ARG 23 1HG ARG 23 -13.638 1.272 -5.461 146 HG3 ARG 23 2HG ARG 23 -11.973 1.256 -4.877 147 HD2 ARG 23 1HD ARG 23 -12.728 2.432 -7.537 148 HD3 ARG 23 2HD ARG 23 -12.785 3.373 -6.048 149 HE ARG 23 HE ARG 23 -10.288 2.375 -6.008 150 HH11 ARG 23 1HH1 ARG 23 -12.116 4.036 -8.461 151 HH12 ARG 23 2HH1 ARG 23 -10.723 4.767 -9.188 152 HH21 ARG 23 1HH2 ARG 23 -8.447 3.331 -6.956 153 HH22 ARG 23 2HH2 ARG 23 -8.636 4.363 -8.332 154 H CYS 24 H CYS 24 -10.448 -2.563 -5.926 155 HA CYS 24 HA CYS 24 -9.422 -1.615 -3.396 156 HB2 CYS 24 1HB CYS 24 -9.227 -3.762 -2.334 157 HB3 CYS 24 2HB CYS 24 -10.910 -3.539 -2.796 158 HG CYS 24 HG CYS 24 -10.002 -5.015 -5.344 159 H SER 25 H SER 25 -7.296 -1.352 -3.569 160 HA SER 25 HA SER 25 -5.918 -2.255 -5.918 161 HB2 SER 25 1HB SER 25 -5.121 -0.631 -3.512 162 HB3 SER 25 2HB SER 25 -3.923 -1.159 -4.692 163 HG SER 25 HG SER 25 -5.063 0.987 -4.963 164 H GLN 26 H GLN 26 -4.757 -4.046 -6.163 165 HA GLN 26 HA GLN 26 -4.542 -5.940 -4.026 166 HB2 GLN 26 1HB GLN 26 -4.890 -6.484 -6.481 167 HB3 GLN 26 2HB GLN 26 -3.191 -6.097 -6.719 168 HG2 GLN 26 1HG GLN 26 -2.465 -7.950 -5.579 169 HG3 GLN 26 2HG GLN 26 -3.947 -8.084 -4.636 170 HE21 GLN 26 1HE2 GLN 26 -5.055 -9.823 -5.125 171 HE22 GLN 26 2HE2 GLN 26 -5.211 -10.533 -6.692 172 H VAL 27 H VAL 27 -3.034 -5.898 -2.510 173 HA VAL 27 HA VAL 27 -0.368 -4.843 -3.202 174 HB VAL 27 HB VAL 27 -1.592 -4.817 -0.444 175 HG11 VAL 27 1HG1 VAL 27 0.767 -4.740 -0.310 176 HG12 VAL 27 2HG1 VAL 27 0.880 -3.599 -1.652 177 HG13 VAL 27 3HG1 VAL 27 0.212 -3.080 -0.104 178 HG21 VAL 27 1HG2 VAL 27 -2.585 -3.336 -2.452 179 HG22 VAL 27 2HG2 VAL 27 -2.513 -2.778 -0.781 180 HG23 VAL 27 3HG2 VAL 27 -1.269 -2.285 -1.929 181 H LYS 28 H LYS 28 1.446 -5.827 -2.170 182 HA LYS 28 HA LYS 28 0.984 -8.658 -1.562 183 HB2 LYS 28 1HB LYS 28 3.481 -7.164 -2.377 184 HB3 LYS 28 2HB LYS 28 3.454 -8.870 -1.949 185 HG2 LYS 28 1HG LYS 28 3.415 -8.357 -4.406 186 HG3 LYS 28 2HG LYS 28 2.130 -9.419 -3.826 187 HD2 LYS 28 1HD LYS 28 0.535 -7.647 -3.887 188 HD3 LYS 28 2HD LYS 28 1.794 -6.445 -4.177 189 HE2 LYS 28 1HE LYS 28 1.145 -8.699 -6.069 190 HE3 LYS 28 2HE LYS 28 0.461 -7.080 -6.198 191 HZ1 LYS 28 1HZ LYS 28 2.452 -6.188 -6.833 192 HZ2 LYS 28 2HZ LYS 28 2.594 -7.727 -7.519 193 HZ3 LYS 28 3HZ LYS 28 3.377 -7.376 -6.062 194 H LEU 29 H LEU 29 1.123 -9.365 0.457 195 HA LEU 29 HA LEU 29 1.748 -7.664 2.625 196 HB2 LEU 29 1HB LEU 29 0.322 -9.877 2.448 197 HB3 LEU 29 2HB LEU 29 1.844 -10.625 2.924 198 HG LEU 29 HG LEU 29 1.829 -9.076 4.928 199 HD11 LEU 29 1HD1 LEU 29 0.280 -7.500 5.064 200 HD12 LEU 29 2HD1 LEU 29 -0.974 -8.739 5.100 201 HD13 LEU 29 3HD1 LEU 29 -0.450 -8.060 3.559 202 HD21 LEU 29 1HD2 LEU 29 1.334 -11.361 5.277 203 HD22 LEU 29 2HD2 LEU 29 -0.260 -11.207 4.536 204 HD23 LEU 29 3HD2 LEU 29 0.063 -10.456 6.099 205 H GLY 30 H GLY 30 3.607 -7.266 3.666 206 HA2 GLY 30 1HA GLY 30 5.790 -7.525 4.389 207 HA3 GLY 30 2HA GLY 30 5.812 -9.111 3.633 208 H SER 31 H SER 31 4.874 -6.358 1.756 209 HA SER 31 HA SER 31 7.554 -6.059 0.637 210 HB2 SER 31 1HB SER 31 5.208 -7.222 -0.786 211 HB3 SER 31 2HB SER 31 6.257 -6.133 -1.693 212 HG SER 31 HG SER 31 6.673 -8.639 -1.325 213 H ALA 32 H ALA 32 7.981 -3.969 0.465 214 HA ALA 32 HA ALA 32 6.222 -1.909 1.011 215 HB1 ALA 32 1HB ALA 32 8.125 -0.773 0.992 216 HB2 ALA 32 2HB ALA 32 8.939 -2.149 0.248 217 HB3 ALA 32 3HB ALA 32 8.201 -0.908 -0.765 218 H ALA 33 H ALA 33 4.489 -1.231 -0.049 219 HA ALA 33 HA ALA 33 4.534 -1.268 -2.996 220 HB1 ALA 33 1HB ALA 33 2.921 -2.812 -2.851 221 HB2 ALA 33 2HB ALA 33 2.611 -2.466 -1.148 222 HB3 ALA 33 3HB ALA 33 1.875 -1.465 -2.400 223 H ASP 34 H ASP 34 3.330 0.383 -4.046 224 HA ASP 34 HA ASP 34 3.203 2.840 -2.486 225 HB2 ASP 34 1HB ASP 34 3.028 2.314 -5.456 226 HB3 ASP 34 2HB ASP 34 2.879 3.914 -4.735 227 H PHE 35 H PHE 35 1.380 4.182 -2.392 228 HA PHE 35 HA PHE 35 -1.159 2.955 -3.226 229 HB2 PHE 35 1HB PHE 35 -0.519 4.186 -0.542 230 HB3 PHE 35 2HB PHE 35 -2.156 3.841 -1.088 231 HD1 PHE 35 2HD PHE 35 -2.886 1.514 -1.419 232 HD2 PHE 35 1HD PHE 35 0.922 2.461 0.229 233 HE1 PHE 35 2HE PHE 35 -2.685 -0.787 -0.571 234 HE2 PHE 35 1HE PHE 35 1.131 0.161 1.079 235 HZ PHE 35 HZ PHE 35 -0.675 -1.466 0.680 236 H LEU 36 H LEU 36 -2.332 4.267 -4.448 237 HA LEU 36 HA LEU 36 -1.610 7.078 -4.636 238 HB2 LEU 36 1HB LEU 36 -2.179 5.364 -6.557 239 HB3 LEU 36 2HB LEU 36 -3.831 5.869 -6.209 240 HG LEU 36 HG LEU 36 -2.924 8.267 -6.552 241 HD11 LEU 36 1HD1 LEU 36 -0.651 6.590 -7.412 242 HD12 LEU 36 2HD1 LEU 36 -0.676 8.234 -6.775 243 HD13 LEU 36 3HD1 LEU 36 -1.081 7.937 -8.465 244 HD21 LEU 36 1HD2 LEU 36 -2.998 7.747 -9.153 245 HD22 LEU 36 2HD2 LEU 36 -4.443 7.684 -8.145 246 HD23 LEU 36 3HD2 LEU 36 -3.596 6.195 -8.568 247 H LEU 37 H LEU 37 -2.524 8.452 -3.265 248 HA LEU 37 HA LEU 37 -5.362 8.064 -2.575 249 HB2 LEU 37 1HB LEU 37 -4.992 8.793 -0.419 250 HB3 LEU 37 2HB LEU 37 -3.546 7.843 -0.755 251 HG LEU 37 HG LEU 37 -3.633 10.842 -1.011 252 HD11 LEU 37 1HD1 LEU 37 -2.282 10.614 1.206 253 HD12 LEU 37 2HD1 LEU 37 -3.182 9.107 1.375 254 HD13 LEU 37 3HD1 LEU 37 -4.045 10.640 1.242 255 HD21 LEU 37 1HD2 LEU 37 -1.139 10.464 -0.646 256 HD22 LEU 37 2HD2 LEU 37 -1.806 9.990 -2.209 257 HD23 LEU 37 3HD2 LEU 37 -1.465 8.764 -0.987 258 H ASP 38 H ASP 38 -6.739 9.699 -2.960 259 HA ASP 38 HA ASP 38 -5.791 11.972 -4.450 260 HB2 ASP 38 1HB ASP 38 -7.844 11.066 -5.208 261 HB3 ASP 38 2HB ASP 38 -8.525 11.043 -3.583 262 H ILE 39 H ILE 39 -4.699 13.421 -3.234 263 HA ILE 39 HA ILE 39 -6.169 14.645 -0.996 264 HB ILE 39 HB ILE 39 -3.892 15.099 0.039 265 HG12 ILE 39 1HG1 ILE 39 -2.944 12.700 -1.483 266 HG13 ILE 39 2HG1 ILE 39 -2.785 14.299 -2.203 267 HG21 ILE 39 1HG2 ILE 39 -3.818 12.922 1.145 268 HG22 ILE 39 2HG2 ILE 39 -5.477 13.486 0.954 269 HG23 ILE 39 3HG2 ILE 39 -4.840 12.241 -0.120 270 HD11 ILE 39 1HD1 ILE 39 -0.773 14.152 -1.177 271 HD12 ILE 39 2HD1 ILE 39 -1.706 14.836 0.153 272 HD13 ILE 39 3HD1 ILE 39 -1.376 13.105 0.107 273 H SER 40 H SER 40 -6.563 16.715 -1.367 274 HA SER 40 HA SER 40 -5.516 18.136 -3.558 275 HB2 SER 40 1HB SER 40 -6.585 20.134 -2.436 276 HB3 SER 40 2HB SER 40 -7.664 18.764 -2.704 277 HG SER 40 HG SER 40 -8.045 19.146 -0.641 278 H GLU 41 H GLU 41 -4.083 17.369 -0.648 279 HA GLU 41 HA GLU 41 -2.396 19.767 -0.607 280 HB2 GLU 41 1HB GLU 41 -2.843 17.545 1.379 281 HB3 GLU 41 2HB GLU 41 -1.521 18.693 1.542 282 HG2 GLU 41 1HG GLU 41 -3.575 19.218 2.869 283 HG3 GLU 41 2HG GLU 41 -3.004 20.510 1.816 284 H THR 42 H THR 42 -0.498 19.725 -1.591 285 HA THR 42 HA THR 42 0.647 17.174 -2.415 286 HB THR 42 HB THR 42 1.540 19.982 -3.096 287 HG1 THR 42 1HG THR 42 -0.181 19.879 -4.331 288 HG21 THR 42 1HG2 THR 42 3.155 17.928 -3.252 289 HG22 THR 42 2HG2 THR 42 3.057 19.076 -4.587 290 HG23 THR 42 3HG2 THR 42 2.204 17.537 -4.683 291 H ASP 43 H ASP 43 1.900 20.181 -0.953 292 HA ASP 43 HA ASP 43 4.386 19.543 -0.229 293 HB2 ASP 43 1HB ASP 43 3.849 20.732 2.036 294 HB3 ASP 43 2HB ASP 43 3.710 21.631 0.528 295 H LEU 44 H LEU 44 5.180 17.662 0.446 296 HA LEU 44 HA LEU 44 3.695 15.808 2.020 297 HB2 LEU 44 1HB LEU 44 6.468 15.955 0.943 298 HB3 LEU 44 2HB LEU 44 6.114 14.786 2.213 299 HG LEU 44 HG LEU 44 4.179 14.067 0.603 300 HD11 LEU 44 1HD1 LEU 44 4.113 15.099 -1.356 301 HD12 LEU 44 2HD1 LEU 44 5.705 14.437 -1.728 302 HD13 LEU 44 3HD1 LEU 44 5.565 16.020 -0.963 303 HD21 LEU 44 1HD2 LEU 44 5.659 12.425 -0.403 304 HD22 LEU 44 2HD2 LEU 44 6.077 12.673 1.292 305 HD23 LEU 44 3HD2 LEU 44 7.064 13.402 0.024 306 H SER 45 H SER 45 6.693 17.618 2.716 307 HA SER 45 HA SER 45 7.099 16.983 5.321 308 HB2 SER 45 1HB SER 45 7.397 19.674 3.978 309 HB3 SER 45 2HB SER 45 7.989 19.340 5.606 310 HG SER 45 HG SER 45 9.160 17.540 4.574 311 H SER 46 H SER 46 5.102 19.747 4.272 312 HA SER 46 HA SER 46 4.154 20.570 6.712 313 HB2 SER 46 1HB SER 46 2.803 20.530 4.013 314 HB3 SER 46 2HB SER 46 2.072 21.294 5.426 315 HG SER 46 HG SER 46 3.653 22.788 5.454 316 H LEU 47 H LEU 47 3.164 17.796 4.826 317 HA LEU 47 HA LEU 47 1.020 17.193 6.726 318 HB2 LEU 47 1HB LEU 47 1.778 15.800 4.162 319 HB3 LEU 47 2HB LEU 47 0.358 15.459 5.150 320 HG LEU 47 HG LEU 47 0.855 18.082 3.747 321 HD11 LEU 47 1HD1 LEU 47 -0.228 15.535 2.784 322 HD12 LEU 47 2HD1 LEU 47 0.403 16.915 1.887 323 HD13 LEU 47 3HD1 LEU 47 -1.257 16.936 2.481 324 HD21 LEU 47 1HD2 LEU 47 -0.697 18.694 5.264 325 HD22 LEU 47 2HD2 LEU 47 -1.213 17.035 5.566 326 HD23 LEU 47 3HD2 LEU 47 -1.805 17.899 4.146 327 H THR 48 H THR 48 0.829 14.963 7.530 328 HA THR 48 HA THR 48 3.484 13.832 8.121 329 HB THR 48 HB THR 48 0.994 13.442 9.781 330 HG1 THR 48 1HG THR 48 1.378 15.571 10.049 331 HG21 THR 48 1HG2 THR 48 3.892 12.770 10.075 332 HG22 THR 48 2HG2 THR 48 2.471 11.783 10.414 333 HG23 THR 48 3HG2 THR 48 2.923 13.085 11.514 334 H ALA 49 H ALA 49 3.469 11.459 8.591 335 HA ALA 49 HA ALA 49 1.467 10.019 6.987 336 HB1 ALA 49 1HB ALA 49 2.977 9.039 5.628 337 HB2 ALA 49 2HB ALA 49 3.930 10.474 6.008 338 HB3 ALA 49 3HB ALA 49 4.219 8.967 6.877 339 H SER 50 H SER 50 0.525 8.476 8.137 340 HA SER 50 HA SER 50 2.073 6.845 9.973 341 HB2 SER 50 1HB SER 50 0.000 8.805 10.851 342 HB3 SER 50 2HB SER 50 0.073 7.249 11.676 343 HG SER 50 HG SER 50 1.546 9.313 12.183 344 H ILE 51 H ILE 51 1.199 4.825 10.317 345 HA ILE 51 HA ILE 51 -1.456 4.251 9.234 346 HB ILE 51 HB ILE 51 1.065 2.849 8.346 347 HG12 ILE 51 1HG1 ILE 51 -1.101 4.215 6.736 348 HG13 ILE 51 2HG1 ILE 51 0.427 4.968 7.178 349 HG21 ILE 51 1HG2 ILE 51 -1.066 1.779 6.934 350 HG22 ILE 51 2HG2 ILE 51 -0.156 0.991 8.222 351 HG23 ILE 51 3HG2 ILE 51 -1.644 1.858 8.599 352 HD11 ILE 51 1HD1 ILE 51 1.486 2.923 6.000 353 HD12 ILE 51 2HD1 ILE 51 -0.102 2.755 5.252 354 HD13 ILE 51 3HD1 ILE 51 0.825 4.240 5.032 355 H LYS 52 H LYS 52 -2.528 2.667 10.303 356 HA LYS 52 HA LYS 52 -1.032 1.055 12.253 357 HB2 LYS 52 1HB LYS 52 -2.092 2.950 13.424 358 HB3 LYS 52 2HB LYS 52 -3.657 2.462 12.786 359 HG2 LYS 52 1HG LYS 52 -3.736 1.551 14.882 360 HG3 LYS 52 2HG LYS 52 -3.095 0.193 13.954 361 HD2 LYS 52 1HD LYS 52 -1.015 0.365 14.880 362 HD3 LYS 52 2HD LYS 52 -1.147 2.109 15.118 363 HE2 LYS 52 1HE LYS 52 -2.810 1.642 16.933 364 HE3 LYS 52 2HE LYS 52 -2.424 -0.070 16.763 365 HZ1 LYS 52 1HZ LYS 52 -0.259 0.271 17.518 366 HZ2 LYS 52 2HZ LYS 52 -1.201 1.229 18.546 367 HZ3 LYS 52 3HZ LYS 52 -0.326 1.946 17.288 368 H ALA 53 H ALA 53 -1.219 -0.932 11.414 369 HA ALA 53 HA ALA 53 -3.078 -1.980 9.733 370 HB1 ALA 53 1HB ALA 53 -2.436 -4.000 11.661 371 HB2 ALA 53 2HB ALA 53 -1.850 -3.808 10.008 372 HB3 ALA 53 3HB ALA 53 -1.015 -3.005 11.339 373 HA PRO 54 HA PRO 54 -6.917 -2.660 11.749 374 HB2 PRO 54 1HB PRO 54 -7.544 -5.235 11.161 375 HB3 PRO 54 2HB PRO 54 -7.577 -3.940 9.959 376 HG2 PRO 54 1HG PRO 54 -5.459 -5.991 10.478 377 HG3 PRO 54 2HG PRO 54 -6.102 -5.414 8.929 378 HD2 PRO 54 1HD PRO 54 -3.750 -4.538 9.948 379 HD3 PRO 54 2HD PRO 54 -4.804 -3.509 8.959 380 H SER 55 H SER 55 -4.267 -4.693 12.616 381 HA SER 55 HA SER 55 -5.672 -5.756 14.950 382 HB2 SER 55 1HB SER 55 -3.387 -6.955 15.252 383 HB3 SER 55 2HB SER 55 -4.443 -7.472 13.938 384 HG SER 55 HG SER 55 -2.018 -6.108 13.848 385 H GLY 56 H GLY 56 -4.273 -2.954 14.278 386 HA2 GLY 56 1HA GLY 56 -3.659 -1.257 15.741 387 HA3 GLY 56 2HA GLY 56 -3.626 -2.433 17.046 388 H ARG 57 H ARG 57 -1.871 -3.134 14.154 389 HA ARG 57 HA ARG 57 0.633 -2.775 15.641 390 HB2 ARG 57 1HB ARG 57 0.125 -4.361 13.118 391 HB3 ARG 57 2HB ARG 57 1.617 -4.337 14.049 392 HG2 ARG 57 1HG ARG 57 -0.958 -5.202 15.303 393 HG3 ARG 57 2HG ARG 57 0.005 -6.318 14.335 394 HD2 ARG 57 1HD ARG 57 1.322 -4.742 16.499 395 HD3 ARG 57 2HD ARG 57 0.353 -6.152 16.926 396 HE ARG 57 HE ARG 57 2.143 -6.853 14.878 397 HH11 ARG 57 1HH1 ARG 57 2.130 -5.988 18.251 398 HH12 ARG 57 2HH1 ARG 57 3.560 -6.894 18.622 399 HH21 ARG 57 1HH2 ARG 57 4.025 -8.049 15.355 400 HH22 ARG 57 2HH2 ARG 57 4.638 -8.065 16.974 401 H ASP 58 H ASP 58 1.675 -0.944 15.247 402 HA ASP 58 HA ASP 58 1.176 0.797 13.122 403 HB2 ASP 58 1HB ASP 58 2.222 1.874 14.864 404 HB3 ASP 58 2HB ASP 58 3.324 0.535 15.171 405 H GLU 59 H GLU 59 2.650 1.453 11.393 406 HA GLU 59 HA GLU 59 4.463 -0.637 10.448 407 HB2 GLU 59 1HB GLU 59 2.407 0.572 8.606 408 HB3 GLU 59 2HB GLU 59 3.479 -0.784 8.288 409 HG2 GLU 59 1HG GLU 59 1.504 -0.982 10.508 410 HG3 GLU 59 2HG GLU 59 0.958 -1.171 8.842 411 HA PRO 60 HA PRO 60 6.987 2.822 9.430 412 HB2 PRO 60 1HB PRO 60 8.634 1.636 7.628 413 HB3 PRO 60 2HB PRO 60 8.736 1.334 9.365 414 HG2 PRO 60 1HG PRO 60 7.431 -0.310 7.232 415 HG3 PRO 60 2HG PRO 60 8.435 -0.839 8.594 416 HD2 PRO 60 1HD PRO 60 5.732 -0.997 8.629 417 HD3 PRO 60 2HD PRO 60 6.691 -0.705 10.095 418 H CYS 61 H CYS 61 5.299 4.043 8.382 419 HA CYS 61 HA CYS 61 5.101 3.722 5.479 420 HB2 CYS 61 1HB CYS 61 3.126 5.017 5.566 421 HB3 CYS 61 2HB CYS 61 3.047 3.965 6.974 422 HG CYS 61 HG CYS 61 4.390 6.331 8.386 423 H LEU 62 H LEU 62 5.595 5.368 4.039 424 HA LEU 62 HA LEU 62 6.832 7.796 5.105 425 HB2 LEU 62 1HB LEU 62 8.471 5.825 4.507 426 HB3 LEU 62 2HB LEU 62 8.203 6.394 2.861 427 HG LEU 62 HG LEU 62 10.255 7.309 3.847 428 HD11 LEU 62 1HD1 LEU 62 8.038 9.262 3.272 429 HD12 LEU 62 2HD1 LEU 62 9.230 8.616 2.145 430 HD13 LEU 62 3HD1 LEU 62 9.735 9.721 3.423 431 HD21 LEU 62 1HD2 LEU 62 10.346 8.516 5.788 432 HD22 LEU 62 2HD2 LEU 62 9.057 7.381 6.190 433 HD23 LEU 62 3HD2 LEU 62 8.659 9.024 5.683 434 H LEU 63 H LEU 63 5.913 9.475 4.147 435 HA LEU 63 HA LEU 63 4.348 9.192 1.769 436 HB2 LEU 63 1HB LEU 63 5.009 11.391 3.654 437 HB3 LEU 63 2HB LEU 63 4.416 11.826 2.053 438 HG LEU 63 HG LEU 63 2.882 9.886 3.739 439 HD11 LEU 63 1HD1 LEU 63 2.316 11.392 5.262 440 HD12 LEU 63 2HD1 LEU 63 1.841 12.534 4.006 441 HD13 LEU 63 3HD1 LEU 63 3.509 12.499 4.578 442 HD21 LEU 63 1HD2 LEU 63 1.208 10.252 2.272 443 HD22 LEU 63 2HD2 LEU 63 2.530 10.738 1.210 444 HD23 LEU 63 3HD2 LEU 63 1.601 11.961 2.080 445 H LYS 64 H LYS 64 4.885 9.593 -0.288 446 HA LYS 64 HA LYS 64 7.292 11.142 -0.881 447 HB2 LYS 64 1HB LYS 64 8.290 9.494 -2.237 448 HB3 LYS 64 2HB LYS 64 7.815 8.646 -0.772 449 HG2 LYS 64 1HG LYS 64 5.724 7.948 -1.998 450 HG3 LYS 64 2HG LYS 64 6.483 8.575 -3.464 451 HD2 LYS 64 1HD LYS 64 7.788 6.527 -1.683 452 HD3 LYS 64 2HD LYS 64 6.757 6.097 -3.051 453 HE2 LYS 64 1HE LYS 64 9.154 7.896 -3.316 454 HE3 LYS 64 2HE LYS 64 9.255 6.144 -3.484 455 HZ1 LYS 64 1HZ LYS 64 8.957 6.833 -5.642 456 HZ2 LYS 64 2HZ LYS 64 7.914 8.098 -5.227 457 HZ3 LYS 64 3HZ LYS 64 7.362 6.499 -5.186 458 H ARG 65 H ARG 65 7.481 11.464 -3.332 459 HA ARG 65 HA ARG 65 4.858 12.293 -4.290 460 HB2 ARG 65 1HB ARG 65 7.144 13.644 -4.304 461 HB3 ARG 65 2HB ARG 65 7.354 12.810 -5.838 462 HG2 ARG 65 1HG ARG 65 6.376 14.842 -6.412 463 HG3 ARG 65 2HG ARG 65 5.033 13.698 -6.431 464 HD2 ARG 65 1HD ARG 65 4.067 15.365 -5.219 465 HD3 ARG 65 2HD ARG 65 4.830 14.470 -3.905 466 HE ARG 65 HE ARG 65 6.301 16.213 -3.598 467 HH11 ARG 65 1HH1 ARG 65 4.526 16.668 -6.558 468 HH12 ARG 65 2HH1 ARG 65 5.074 18.295 -6.789 469 HH21 ARG 65 1HH2 ARG 65 7.030 18.355 -3.892 470 HH22 ARG 65 2HH2 ARG 65 6.498 19.253 -5.273 471 H LEU 66 H LEU 66 3.931 11.620 -6.200 472 HA LEU 66 HA LEU 66 5.166 9.254 -7.448 473 HB2 LEU 66 1HB LEU 66 2.288 9.957 -6.950 474 HB3 LEU 66 2HB LEU 66 2.764 8.720 -8.112 475 HG LEU 66 HG LEU 66 3.140 8.689 -5.125 476 HD11 LEU 66 1HD1 LEU 66 0.973 7.974 -5.671 477 HD12 LEU 66 2HD1 LEU 66 1.905 6.491 -5.465 478 HD13 LEU 66 3HD1 LEU 66 1.533 7.080 -7.085 479 HD21 LEU 66 1HD2 LEU 66 4.491 7.129 -7.271 480 HD22 LEU 66 2HD2 LEU 66 4.052 6.310 -5.772 481 HD23 LEU 66 3HD2 LEU 66 5.121 7.713 -5.730 482 HA PRO 67 HA PRO 67 5.221 11.286 -11.338 483 HB2 PRO 67 1HB PRO 67 4.743 9.215 -13.028 484 HB3 PRO 67 2HB PRO 67 6.273 9.419 -12.167 485 HG2 PRO 67 1HG PRO 67 3.947 7.654 -11.504 486 HG3 PRO 67 2HG PRO 67 5.682 7.289 -11.445 487 HD2 PRO 67 1HD PRO 67 4.247 7.907 -9.234 488 HD3 PRO 67 2HD PRO 67 5.960 8.335 -9.410 489 H ASN 68 H ASN 68 3.929 11.459 -13.448 490 HA ASN 68 HA ASN 68 2.005 12.020 -14.523 491 HB2 ASN 68 1HB ASN 68 0.789 9.965 -12.663 492 HB3 ASN 68 2HB ASN 68 -0.023 10.672 -14.057 493 HD21 ASN 68 1HD2 ASN 68 -0.228 8.433 -14.724 494 HD22 ASN 68 2HD2 ASN 68 1.082 7.684 -15.567 495 H ASN 69 H ASN 69 2.869 13.349 -11.997 496 HA ASN 69 HA ASN 69 2.176 15.068 -10.680 497 HB2 ASN 69 1HB ASN 69 1.005 15.610 -12.963 498 HB3 ASN 69 2HB ASN 69 -0.463 15.165 -12.098 499 HD21 ASN 69 1HD2 ASN 69 2.172 17.424 -12.304 500 HD22 ASN 69 2HD2 ASN 69 1.466 18.648 -11.310 501 H HIS 70 H HIS 70 1.815 12.544 -9.655 502 HA HIS 70 HA HIS 70 -0.646 12.890 -8.078 503 HB2 HIS 70 1HB HIS 70 0.500 10.254 -9.025 504 HB3 HIS 70 2HB HIS 70 -0.917 10.453 -7.998 505 HD1 HIS 70 1HD HIS 70 -1.847 12.982 -9.911 506 HD2 HIS 70 2HD HIS 70 -1.168 9.020 -10.961 507 HE1 HIS 70 1HE HIS 70 -3.169 12.608 -12.017 508 HE2 HIS 70 2HE HIS 70 -2.811 10.182 -12.586 509 H ILE 71 H ILE 71 -0.509 11.418 -6.041 510 HA ILE 71 HA ILE 71 2.212 11.249 -4.990 511 HB ILE 71 HB ILE 71 0.021 12.792 -3.595 512 HG12 ILE 71 1HG1 ILE 71 2.697 13.840 -4.501 513 HG13 ILE 71 2HG1 ILE 71 1.283 13.884 -5.549 514 HG21 ILE 71 1HG2 ILE 71 1.599 13.178 -1.827 515 HG22 ILE 71 2HG2 ILE 71 1.466 11.440 -2.095 516 HG23 ILE 71 3HG2 ILE 71 2.863 12.323 -2.711 517 HD11 ILE 71 1HD1 ILE 71 1.976 15.545 -3.246 518 HD12 ILE 71 2HD1 ILE 71 0.965 15.900 -4.646 519 HD13 ILE 71 3HD1 ILE 71 0.299 15.002 -3.283 520 H GLY 72 H GLY 72 2.467 9.789 -3.292 521 HA2 GLY 72 1HA GLY 72 0.158 8.469 -2.147 522 HA3 GLY 72 2HA GLY 72 1.091 7.469 -3.250 523 H ILE 73 H ILE 73 0.904 6.513 -0.799 524 HA ILE 73 HA ILE 73 3.363 7.312 0.605 525 HB ILE 73 HB ILE 73 1.235 7.372 1.909 526 HG12 ILE 73 1HG1 ILE 73 2.922 5.214 3.108 527 HG13 ILE 73 2HG1 ILE 73 3.665 6.772 2.765 528 HG21 ILE 73 1HG2 ILE 73 0.883 4.825 0.732 529 HG22 ILE 73 2HG2 ILE 73 1.008 4.591 2.475 530 HG23 ILE 73 3HG2 ILE 73 -0.206 5.687 1.817 531 HD11 ILE 73 1HD1 ILE 73 1.639 7.727 4.074 532 HD12 ILE 73 2HD1 ILE 73 1.518 6.087 4.712 533 HD13 ILE 73 3HD1 ILE 73 2.998 7.019 4.947 534 H SER 74 H SER 74 4.692 5.614 1.527 535 HA SER 74 HA SER 74 4.481 3.042 0.111 536 HB2 SER 74 1HB SER 74 6.211 4.580 -0.912 537 HB3 SER 74 2HB SER 74 7.098 4.473 0.609 538 HG SER 74 HG SER 74 7.949 2.855 -0.528 539 H PHE 75 H PHE 75 4.154 1.537 1.602 540 HA PHE 75 HA PHE 75 5.936 1.393 3.898 541 HB2 PHE 75 1HB PHE 75 4.302 1.421 5.557 542 HB3 PHE 75 2HB PHE 75 3.740 2.676 4.457 543 HD1 PHE 75 1HD PHE 75 1.846 2.232 2.940 544 HD2 PHE 75 2HD PHE 75 3.050 -0.561 5.916 545 HE1 PHE 75 1HE PHE 75 -0.320 1.082 2.732 546 HE2 PHE 75 2HE PHE 75 0.888 -1.717 5.712 547 HZ PHE 75 HZ PHE 75 -0.800 -0.896 4.118 548 H ILE 76 H ILE 76 5.871 -0.695 4.971 549 HA ILE 76 HA ILE 76 5.124 -2.820 3.091 550 HB ILE 76 HB ILE 76 6.997 -2.935 5.459 551 HG12 ILE 76 1HG1 ILE 76 7.729 -3.076 2.537 552 HG13 ILE 76 2HG1 ILE 76 7.683 -1.551 3.416 553 HG21 ILE 76 1HG2 ILE 76 5.659 -5.024 4.399 554 HG22 ILE 76 2HG2 ILE 76 7.088 -5.005 3.368 555 HG23 ILE 76 3HG2 ILE 76 7.265 -5.146 5.117 556 HD11 ILE 76 1HD1 ILE 76 9.487 -2.124 4.750 557 HD12 ILE 76 2HD1 ILE 76 9.303 -3.848 4.427 558 HD13 ILE 76 3HD1 ILE 76 9.923 -2.777 3.172 559 HA PRO 77 HA PRO 77 1.800 -3.449 6.117 560 HB2 PRO 77 1HB PRO 77 0.243 -4.882 4.415 561 HB3 PRO 77 2HB PRO 77 0.295 -3.114 4.414 562 HG2 PRO 77 1HG PRO 77 1.700 -5.051 2.616 563 HG3 PRO 77 2HG PRO 77 0.874 -3.538 2.202 564 HD2 PRO 77 1HD PRO 77 3.566 -3.712 2.428 565 HD3 PRO 77 2HD PRO 77 2.667 -2.237 2.838 566 H ARG 78 H ARG 78 1.975 -4.998 7.599 567 HA ARG 78 HA ARG 78 3.153 -7.566 6.879 568 HB2 ARG 78 1HB ARG 78 2.723 -6.065 9.418 569 HB3 ARG 78 2HB ARG 78 2.830 -7.818 9.505 570 HG2 ARG 78 1HG ARG 78 5.014 -7.194 9.846 571 HG3 ARG 78 2HG ARG 78 4.995 -7.491 8.106 572 HD2 ARG 78 1HD ARG 78 6.105 -5.458 8.282 573 HD3 ARG 78 2HD ARG 78 4.450 -4.981 7.907 574 HE ARG 78 HE ARG 78 4.352 -3.937 9.930 575 HH11 ARG 78 1HH1 ARG 78 6.926 -6.278 10.012 576 HH12 ARG 78 2HH1 ARG 78 7.483 -5.803 11.582 577 HH21 ARG 78 1HH2 ARG 78 5.075 -3.303 11.998 578 HH22 ARG 78 2HH2 ARG 78 6.429 -4.112 12.712 579 H GLU 79 H GLU 79 0.095 -6.175 7.656 580 HA GLU 79 HA GLU 79 -1.099 -8.869 7.692 581 HB2 GLU 79 1HB GLU 79 -1.700 -6.457 9.357 582 HB3 GLU 79 2HB GLU 79 -2.996 -7.582 8.979 583 HG2 GLU 79 1HG GLU 79 -2.252 -8.394 10.986 584 HG3 GLU 79 2HG GLU 79 -1.331 -9.377 9.849 585 H VAL 80 H VAL 80 -3.540 -8.703 7.140 586 HA VAL 80 HA VAL 80 -3.838 -6.894 4.829 587 HB VAL 80 HB VAL 80 -5.386 -8.674 3.906 588 HG11 VAL 80 1HG1 VAL 80 -2.966 -8.233 3.239 589 HG12 VAL 80 2HG1 VAL 80 -2.562 -9.657 4.202 590 HG13 VAL 80 3HG1 VAL 80 -3.641 -9.806 2.814 591 HG21 VAL 80 1HG2 VAL 80 -4.072 -10.298 6.080 592 HG22 VAL 80 2HG2 VAL 80 -5.792 -9.950 5.907 593 HG23 VAL 80 3HG2 VAL 80 -4.977 -10.981 4.730 594 H GLY 81 H GLY 81 -5.961 -6.133 4.357 595 HA2 GLY 81 1HA GLY 81 -8.373 -6.425 5.243 596 HA3 GLY 81 2HA GLY 81 -7.637 -5.959 6.769 597 H GLU 82 H GLU 82 -8.484 -4.000 7.164 598 HA GLU 82 HA GLU 82 -8.310 -1.979 5.028 599 HB2 GLU 82 1HB GLU 82 -10.598 -2.498 5.894 600 HB3 GLU 82 2HB GLU 82 -10.082 -1.929 7.475 601 HG2 GLU 82 1HG GLU 82 -11.062 -0.037 6.710 602 HG3 GLU 82 2HG GLU 82 -9.430 0.224 6.095 603 H HIS 83 H HIS 83 -6.344 -1.065 5.326 604 HA HIS 83 HA HIS 83 -5.386 -0.411 7.978 605 HB2 HIS 83 1HB HIS 83 -4.263 -0.248 5.208 606 HB3 HIS 83 2HB HIS 83 -3.525 0.708 6.489 607 HD1 HIS 83 1HD HIS 83 -4.664 -2.924 6.231 608 HD2 HIS 83 2HD HIS 83 -1.432 -0.645 7.504 609 HE1 HIS 83 1HE HIS 83 -2.978 -4.575 7.103 610 HE2 HIS 83 2HE HIS 83 -1.067 -3.167 7.946 611 H LEU 84 H LEU 84 -5.311 1.574 8.904 612 HA LEU 84 HA LEU 84 -6.692 3.739 7.473 613 HB2 LEU 84 1HB LEU 84 -6.445 3.022 10.366 614 HB3 LEU 84 2HB LEU 84 -6.820 4.677 9.893 615 HG LEU 84 HG LEU 84 -8.472 2.259 9.168 616 HD11 LEU 84 1HD1 LEU 84 -8.957 2.408 11.382 617 HD12 LEU 84 2HD1 LEU 84 -10.064 3.641 10.779 618 HD13 LEU 84 3HD1 LEU 84 -8.516 4.113 11.481 619 HD21 LEU 84 1HD2 LEU 84 -10.132 4.267 8.801 620 HD22 LEU 84 2HD2 LEU 84 -9.010 3.770 7.535 621 HD23 LEU 84 3HD2 LEU 84 -8.636 5.166 8.546 622 H VAL 85 H VAL 85 -5.388 5.219 6.638 623 HA VAL 85 HA VAL 85 -2.750 5.668 7.807 624 HB VAL 85 HB VAL 85 -3.867 6.911 5.296 625 HG11 VAL 85 1HG1 VAL 85 -0.996 6.355 5.573 626 HG12 VAL 85 2HG1 VAL 85 -1.823 7.782 4.946 627 HG13 VAL 85 3HG1 VAL 85 -1.632 7.564 6.687 628 HG21 VAL 85 1HG2 VAL 85 -3.921 4.801 4.515 629 HG22 VAL 85 2HG2 VAL 85 -2.171 4.989 4.412 630 HG23 VAL 85 3HG2 VAL 85 -2.891 4.186 5.807 631 H SER 86 H SER 86 -2.493 7.215 9.265 632 HA SER 86 HA SER 86 -4.458 9.331 9.533 633 HB2 SER 86 1HB SER 86 -1.959 9.015 11.190 634 HB3 SER 86 2HB SER 86 -3.476 9.795 11.637 635 HG SER 86 HG SER 86 -4.371 7.558 11.290 636 H ILE 87 H ILE 87 -4.261 10.983 8.160 637 HA ILE 87 HA ILE 87 -1.572 12.110 7.722 638 HB ILE 87 HB ILE 87 -3.939 12.413 5.876 639 HG12 ILE 87 1HG1 ILE 87 -3.395 10.100 5.801 640 HG13 ILE 87 2HG1 ILE 87 -2.610 10.824 4.403 641 HG21 ILE 87 1HG2 ILE 87 -2.167 13.112 4.268 642 HG22 ILE 87 2HG2 ILE 87 -2.366 14.201 5.640 643 HG23 ILE 87 3HG2 ILE 87 -1.012 13.072 5.600 644 HD11 ILE 87 1HD1 ILE 87 -0.606 11.006 6.152 645 HD12 ILE 87 2HD1 ILE 87 -1.438 9.600 6.814 646 HD13 ILE 87 3HD1 ILE 87 -0.879 9.587 5.142 647 H LYS 88 H LYS 88 -1.273 13.933 8.803 648 HA LYS 88 HA LYS 88 -3.484 15.865 8.951 649 HB2 LYS 88 1HB LYS 88 -1.553 15.604 11.227 650 HB3 LYS 88 2HB LYS 88 -3.180 16.273 11.221 651 HG2 LYS 88 1HG LYS 88 -4.174 14.154 11.246 652 HG3 LYS 88 2HG LYS 88 -2.676 13.352 10.769 653 HD2 LYS 88 1HD LYS 88 -1.707 14.164 12.967 654 HD3 LYS 88 2HD LYS 88 -3.355 14.601 13.422 655 HE2 LYS 88 1HE LYS 88 -3.963 12.187 12.843 656 HE3 LYS 88 2HE LYS 88 -2.228 11.876 12.847 657 HZ1 LYS 88 1HZ LYS 88 -2.611 13.197 15.173 658 HZ2 LYS 88 2HZ LYS 88 -2.510 11.516 15.016 659 HZ3 LYS 88 3HZ LYS 88 -4.023 12.272 15.058 660 H LYS 89 H LYS 89 -2.585 18.070 9.729 661 HA LYS 89 HA LYS 89 0.035 18.551 8.473 662 HB2 LYS 89 1HB LYS 89 -1.801 19.284 6.989 663 HB3 LYS 89 2HB LYS 89 -2.405 20.327 8.269 664 HG2 LYS 89 1HG LYS 89 -0.257 21.561 8.210 665 HG3 LYS 89 2HG LYS 89 0.230 20.570 6.834 666 HD2 LYS 89 1HD LYS 89 -2.380 22.003 6.715 667 HD3 LYS 89 2HD LYS 89 -0.895 22.927 6.487 668 HE2 LYS 89 1HE LYS 89 -0.243 21.514 4.648 669 HE3 LYS 89 2HE LYS 89 -1.618 20.446 4.933 670 HZ1 LYS 89 1HZ LYS 89 -3.008 21.824 3.875 671 HZ2 LYS 89 2HZ LYS 89 -1.609 22.465 3.173 672 HZ3 LYS 89 3HZ LYS 89 -2.306 23.224 4.516 673 H ASN 90 H ASN 90 1.317 18.963 10.173 674 HA ASN 90 HA ASN 90 2.214 20.031 11.969 675 HB2 ASN 90 1HB ASN 90 0.290 22.052 10.910 676 HB3 ASN 90 2HB ASN 90 0.992 22.331 12.501 677 HD21 ASN 90 1HD2 ASN 90 1.825 21.621 9.147 678 HD22 ASN 90 2HD2 ASN 90 3.339 22.454 9.160 679 H GLY 91 H GLY 91 -0.095 18.173 12.224 680 HA2 GLY 91 1HA GLY 91 -0.880 17.246 14.255 681 HA3 GLY 91 2HA GLY 91 -0.714 18.824 15.011 682 H ASN 92 H ASN 92 -2.215 18.825 11.940 683 HA ASN 92 HA ASN 92 -4.883 18.844 13.177 684 HB2 ASN 92 1HB ASN 92 -3.766 20.848 11.207 685 HB3 ASN 92 2HB ASN 92 -5.474 20.725 11.617 686 HD21 ASN 92 1HD2 ASN 92 -2.453 21.982 12.490 687 HD22 ASN 92 2HD2 ASN 92 -2.917 22.704 13.989 688 H HIS 93 H HIS 93 -5.642 16.954 12.384 689 HA HIS 93 HA HIS 93 -5.147 15.542 10.179 690 HB2 HIS 93 1HB HIS 93 -7.699 16.082 11.620 691 HB3 HIS 93 2HB HIS 93 -7.790 15.217 10.088 692 HD1 HIS 93 1HD HIS 93 -6.866 12.821 10.023 693 HD2 HIS 93 2HD HIS 93 -6.475 14.670 13.723 694 HE1 HIS 93 1HE HIS 93 -6.239 10.989 11.629 695 HE2 HIS 93 2HE HIS 93 -6.092 12.118 13.875 696 H VAL 94 H VAL 94 -5.563 15.541 8.006 697 HA VAL 94 HA VAL 94 -6.474 18.098 6.888 698 HB VAL 94 HB VAL 94 -5.389 17.392 4.804 699 HG11 VAL 94 1HG1 VAL 94 -3.093 16.885 6.422 700 HG12 VAL 94 2HG1 VAL 94 -3.558 18.371 5.590 701 HG13 VAL 94 3HG1 VAL 94 -4.122 18.064 7.234 702 HG21 VAL 94 1HG2 VAL 94 -4.099 15.079 6.151 703 HG22 VAL 94 2HG2 VAL 94 -5.740 14.874 5.540 704 HG23 VAL 94 3HG2 VAL 94 -4.443 15.344 4.441 705 H ALA 95 H ALA 95 -7.309 17.575 4.452 706 HA ALA 95 HA ALA 95 -9.863 16.357 4.846 707 HB1 ALA 95 1HB ALA 95 -10.000 16.792 2.291 708 HB2 ALA 95 2HB ALA 95 -9.958 18.161 3.404 709 HB3 ALA 95 3HB ALA 95 -8.497 17.681 2.541 710 H ASN 96 H ASN 96 -10.649 14.434 4.101 711 HA ASN 96 HA ASN 96 -10.684 12.318 3.254 712 HB2 ASN 96 1HB ASN 96 -8.107 12.964 1.817 713 HB3 ASN 96 2HB ASN 96 -9.293 11.731 1.399 714 HD21 ASN 96 1HD2 ASN 96 -8.365 15.000 1.095 715 HD22 ASN 96 2HD2 ASN 96 -9.675 15.519 0.095 716 H SER 97 H SER 97 -9.226 13.121 5.700 717 HA SER 97 HA SER 97 -7.522 10.731 5.935 718 HB2 SER 97 1HB SER 97 -6.057 12.670 5.885 719 HB3 SER 97 2HB SER 97 -7.010 13.460 7.141 720 HG SER 97 HG SER 97 -5.652 12.518 8.437 721 HA PRO 98 HA PRO 98 -6.409 9.714 7.566 722 HB2 PRO 98 1HB PRO 98 -7.035 7.189 8.343 723 HB3 PRO 98 2HB PRO 98 -6.424 8.415 9.461 724 HG2 PRO 98 1HG PRO 98 -9.241 7.521 8.984 725 HG3 PRO 98 2HG PRO 98 -8.420 7.859 10.518 726 HD2 PRO 98 1HD PRO 98 -10.101 9.628 9.344 727 HD3 PRO 98 2HD PRO 98 -8.702 10.137 10.311 728 H VAL 99 H VAL 99 -5.865 8.234 5.899 729 HA VAL 99 HA VAL 99 -7.966 7.925 3.913 730 HB VAL 99 HB VAL 99 -5.032 7.246 3.679 731 HG11 VAL 99 1HG1 VAL 99 -6.179 7.948 1.203 732 HG12 VAL 99 2HG1 VAL 99 -5.585 6.366 1.716 733 HG13 VAL 99 3HG1 VAL 99 -7.278 6.798 1.966 734 HG21 VAL 99 1HG2 VAL 99 -5.488 9.643 4.209 735 HG22 VAL 99 2HG2 VAL 99 -4.710 9.382 2.648 736 HG23 VAL 99 3HG2 VAL 99 -6.436 9.736 2.724 737 H SER 100 H SER 100 -9.072 6.110 3.647 738 HA SER 100 HA SER 100 -8.339 3.720 5.081 739 HB2 SER 100 1HB SER 100 -10.658 4.378 3.257 740 HB3 SER 100 2HB SER 100 -10.453 2.810 4.040 741 HG SER 100 HG SER 100 -10.545 3.872 6.047 742 H ILE 101 H ILE 101 -7.321 1.982 4.308 743 HA ILE 101 HA ILE 101 -7.008 1.725 1.390 744 HB ILE 101 HB ILE 101 -4.881 1.227 3.477 745 HG12 ILE 101 1HG1 ILE 101 -4.893 3.197 1.184 746 HG13 ILE 101 2HG1 ILE 101 -5.345 3.620 2.832 747 HG21 ILE 101 1HG2 ILE 101 -4.979 0.649 0.532 748 HG22 ILE 101 2HG2 ILE 101 -3.455 0.843 1.398 749 HG23 ILE 101 3HG2 ILE 101 -4.572 -0.441 1.858 750 HD11 ILE 101 1HD1 ILE 101 -2.661 2.780 1.796 751 HD12 ILE 101 2HD1 ILE 101 -3.114 4.287 2.593 752 HD13 ILE 101 3HD1 ILE 101 -3.053 2.785 3.515 753 H MET 102 H MET 102 -6.685 -0.428 0.605 754 HA MET 102 HA MET 102 -7.646 -2.503 2.465 755 HB2 MET 102 1HB MET 102 -9.261 -1.796 0.652 756 HB3 MET 102 2HB MET 102 -8.124 -2.457 -0.515 757 HG2 MET 102 1HG MET 102 -9.760 -4.110 -0.158 758 HG3 MET 102 2HG MET 102 -8.313 -4.646 0.692 759 HE1 MET 102 1HE MET 102 -10.323 -6.090 3.409 760 HE2 MET 102 2HE MET 102 -9.440 -6.335 1.903 761 HE3 MET 102 3HE MET 102 -8.627 -5.615 3.293 762 H VAL 103 H VAL 103 -6.323 -4.167 2.775 763 HA VAL 103 HA VAL 103 -4.202 -4.657 0.784 764 HB VAL 103 HB VAL 103 -4.041 -5.139 3.763 765 HG11 VAL 103 1HG1 VAL 103 -1.555 -5.068 2.269 766 HG12 VAL 103 2HG1 VAL 103 -2.153 -6.273 3.411 767 HG13 VAL 103 3HG1 VAL 103 -2.631 -6.350 1.713 768 HG21 VAL 103 1HG2 VAL 103 -2.453 -3.104 2.238 769 HG22 VAL 103 2HG2 VAL 103 -4.044 -2.715 2.889 770 HG23 VAL 103 3HG2 VAL 103 -2.746 -3.212 3.974 771 H VAL 104 H VAL 104 -3.983 -6.672 0.001 772 HA VAL 104 HA VAL 104 -5.385 -8.874 1.347 773 HB VAL 104 HB VAL 104 -6.251 -9.722 -0.757 774 HG11 VAL 104 1HG1 VAL 104 -7.733 -8.293 0.464 775 HG12 VAL 104 2HG1 VAL 104 -6.971 -6.848 -0.203 776 HG13 VAL 104 3HG1 VAL 104 -7.902 -7.918 -1.251 777 HG21 VAL 104 1HG2 VAL 104 -4.307 -8.203 -1.943 778 HG22 VAL 104 2HG2 VAL 104 -5.634 -9.000 -2.787 779 HG23 VAL 104 3HG2 VAL 104 -5.773 -7.303 -2.326 780 H GLN 105 H GLN 105 -4.546 -10.957 0.926 781 HA GLN 105 HA GLN 105 -1.718 -10.950 0.338 782 HB2 GLN 105 1HB GLN 105 -3.659 -12.959 1.414 783 HB3 GLN 105 2HB GLN 105 -2.103 -13.502 0.802 784 HG2 GLN 105 1HG GLN 105 -0.926 -12.475 2.479 785 HG3 GLN 105 2HG GLN 105 -2.181 -11.272 2.771 786 HE21 GLN 105 1HE2 GLN 105 -1.418 -14.696 3.124 787 HE22 GLN 105 2HE2 GLN 105 -2.393 -14.955 4.526 788 H SER 106 H SER 106 -1.797 -10.420 -1.907 789 HA SER 106 HA SER 106 -3.164 -12.053 -3.797 790 HB2 SER 106 1HB SER 106 -1.785 -10.840 -5.478 791 HB3 SER 106 2HB SER 106 -2.602 -9.755 -4.353 792 HG SER 106 HG SER 106 0.097 -10.613 -4.139 793 H GLU 107 H GLU 107 -2.667 -14.153 -3.932 794 HA GLU 107 HA GLU 107 0.182 -14.883 -4.143 795 HB2 GLU 107 1HB GLU 107 -0.994 -15.790 -2.138 796 HB3 GLU 107 2HB GLU 107 -2.090 -16.647 -3.214 797 HG2 GLU 107 1HG GLU 107 -0.404 -18.077 -3.977 798 HG3 GLU 107 2HG GLU 107 0.877 -17.042 -3.351 799 H ILE 108 H ILE 108 0.588 -15.028 -6.267 800 HA ILE 108 HA ILE 108 -1.183 -16.749 -7.873 801 HB ILE 108 HB ILE 108 0.307 -14.336 -8.911 802 HG12 ILE 108 1HG1 ILE 108 -1.742 -13.985 -7.349 803 HG13 ILE 108 2HG1 ILE 108 -1.679 -13.113 -8.877 804 HG21 ILE 108 1HG2 ILE 108 0.072 -15.432 -10.847 805 HG22 ILE 108 2HG2 ILE 108 -1.094 -16.567 -10.169 806 HG23 ILE 108 3HG2 ILE 108 -1.630 -14.983 -10.730 807 HD11 ILE 108 1HD1 ILE 108 -3.007 -15.728 -8.984 808 HD12 ILE 108 2HD1 ILE 108 -3.813 -14.501 -8.006 809 HD13 ILE 108 3HD1 ILE 108 -3.464 -14.184 -9.705 810 H GLY 109 H GLY 109 -0.219 -18.273 -9.130 811 HA2 GLY 109 1HA GLY 109 1.440 -19.569 -10.056 812 HA3 GLY 109 2HA GLY 109 2.512 -18.183 -9.921 813 H ASP 110 H ASP 110 2.105 -21.287 -8.971 814 HA ASP 110 HA ASP 110 2.895 -21.173 -6.239 815 HB2 ASP 110 1HB ASP 110 1.881 -23.187 -6.759 816 HB3 ASP 110 2HB ASP 110 2.705 -23.321 -8.311 817 H SER 111 H SER 111 4.662 -21.796 -9.258 818 HA SER 111 HA SER 111 7.197 -21.949 -7.897 819 HB2 SER 111 1HB SER 111 8.121 -22.069 -10.229 820 HB3 SER 111 2HB SER 111 6.912 -23.302 -9.871 821 HG SER 111 HG SER 111 6.887 -21.496 -11.814 822 H GLY 112 H GLY 112 9.046 -20.557 -8.645 823 HA2 GLY 112 1HA GLY 112 8.189 -17.763 -8.515 824 HA3 GLY 112 2HA GLY 112 9.808 -18.366 -8.197 825 HA PRO 113 HA PRO 113 9.512 -16.457 -12.487 826 HB2 PRO 113 1HB PRO 113 11.332 -14.487 -12.068 827 HB3 PRO 113 2HB PRO 113 9.606 -14.285 -11.743 828 HG2 PRO 113 1HG PRO 113 11.834 -14.896 -9.839 829 HG3 PRO 113 2HG PRO 113 10.476 -13.771 -9.650 830 HD2 PRO 113 1HD PRO 113 10.500 -16.230 -8.516 831 HD3 PRO 113 2HD PRO 113 9.005 -15.448 -9.067 832 H SER 114 H SER 114 12.276 -17.002 -10.334 833 HA SER 114 HA SER 114 14.189 -17.320 -12.408 834 HB2 SER 114 1HB SER 114 14.814 -16.758 -10.085 835 HB3 SER 114 2HB SER 114 14.274 -18.353 -9.561 836 HG SER 114 HG SER 114 15.872 -19.008 -11.365 837 H SER 115 H SER 115 14.730 -19.045 -13.598 838 HA SER 115 HA SER 115 13.358 -21.586 -13.015 839 HB2 SER 115 1HB SER 115 13.222 -22.025 -15.334 840 HB3 SER 115 2HB SER 115 12.807 -20.318 -15.180 841 HG SER 115 HG SER 115 15.169 -19.994 -15.584 842 H GLY 116 H GLY 116 16.331 -20.083 -12.979 843 HA2 GLY 116 1HA GLY 116 18.245 -21.256 -12.136 844 HA3 GLY 116 2HA GLY 116 17.687 -22.695 -12.976 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -18.824 -12.151 6.177 2 HA2 GLY 1 1HA GLY 1 -18.709 -12.478 3.842 3 HA3 GLY 1 2HA GLY 1 -17.375 -11.335 3.771 4 H SER 2 H SER 2 -15.298 -12.058 3.942 5 HA SER 2 HA SER 2 -14.970 -14.970 3.876 6 HB2 SER 2 1HB SER 2 -12.888 -14.590 2.749 7 HB3 SER 2 2HB SER 2 -14.082 -13.533 1.998 8 HG SER 2 HG SER 2 -11.812 -12.900 3.374 9 H SER 3 H SER 3 -12.788 -15.730 4.788 10 HA SER 3 HA SER 3 -12.453 -14.527 7.455 11 HB2 SER 3 1HB SER 3 -11.623 -16.815 8.122 12 HB3 SER 3 2HB SER 3 -13.325 -16.753 7.664 13 HG SER 3 HG SER 3 -11.187 -17.989 6.409 14 H GLY 4 H GLY 4 -10.711 -16.121 4.803 15 HA2 GLY 4 1HA GLY 4 -8.581 -14.426 4.624 16 HA3 GLY 4 2HA GLY 4 -8.128 -15.526 5.917 17 H SER 5 H SER 5 -6.666 -15.313 3.558 18 HA SER 5 HA SER 5 -7.333 -17.797 2.126 19 HB2 SER 5 1HB SER 5 -5.797 -16.922 0.349 20 HB3 SER 5 2HB SER 5 -7.212 -15.907 0.627 21 HG SER 5 HG SER 5 -5.933 -14.488 1.791 22 H SER 6 H SER 6 -5.698 -19.325 1.702 23 HA SER 6 HA SER 6 -3.478 -19.221 3.627 24 HB2 SER 6 1HB SER 6 -3.458 -21.627 3.584 25 HB3 SER 6 2HB SER 6 -5.130 -21.111 3.801 26 HG SER 6 HG SER 6 -5.313 -21.358 1.457 27 H GLY 7 H GLY 7 -1.491 -18.917 2.879 28 HA2 GLY 7 1HA GLY 7 0.057 -20.067 1.140 29 HA3 GLY 7 2HA GLY 7 -1.011 -19.262 0.000 30 H ILE 8 H ILE 8 1.465 -18.818 2.427 31 HA ILE 8 HA ILE 8 1.627 -16.095 2.660 32 HB ILE 8 HB ILE 8 3.978 -16.326 3.131 33 HG12 ILE 8 1HG1 ILE 8 4.573 -17.721 1.183 34 HG13 ILE 8 2HG1 ILE 8 5.209 -18.388 2.684 35 HG21 ILE 8 1HG2 ILE 8 3.738 -18.623 4.515 36 HG22 ILE 8 2HG2 ILE 8 3.014 -17.096 5.018 37 HG23 ILE 8 3HG2 ILE 8 2.042 -18.292 4.161 38 HD11 ILE 8 1HD1 ILE 8 3.214 -19.914 2.717 39 HD12 ILE 8 2HD1 ILE 8 2.868 -19.360 1.078 40 HD13 ILE 8 3HD1 ILE 8 4.381 -20.198 1.426 41 HA PRO 9 HA PRO 9 2.603 -14.424 -1.287 42 HB2 PRO 9 1HB PRO 9 3.993 -12.216 -0.541 43 HB3 PRO 9 2HB PRO 9 2.242 -12.359 -0.349 44 HG2 PRO 9 1HG PRO 9 4.408 -12.756 1.678 45 HG3 PRO 9 2HG PRO 9 2.856 -11.916 1.849 46 HD2 PRO 9 1HD PRO 9 3.257 -14.434 2.759 47 HD3 PRO 9 2HD PRO 9 1.684 -13.878 2.152 48 H GLY 10 H GLY 10 4.021 -15.495 -2.538 49 HA2 GLY 10 1HA GLY 10 6.864 -15.469 -1.741 50 HA3 GLY 10 2HA GLY 10 6.120 -16.729 -2.713 51 H SER 11 H SER 11 8.128 -16.107 -3.997 52 HA SER 11 HA SER 11 7.543 -13.825 -5.763 53 HB2 SER 11 1HB SER 11 9.915 -13.795 -6.319 54 HB3 SER 11 2HB SER 11 9.717 -13.732 -4.568 55 HG SER 11 HG SER 11 11.060 -15.516 -6.017 56 HA PRO 12 HA PRO 12 6.621 -17.502 -8.364 57 HB2 PRO 12 1HB PRO 12 4.636 -16.279 -9.754 58 HB3 PRO 12 2HB PRO 12 4.373 -17.061 -8.190 59 HG2 PRO 12 1HG PRO 12 4.761 -14.159 -8.816 60 HG3 PRO 12 2HG PRO 12 3.604 -14.920 -7.708 61 HD2 PRO 12 1HD PRO 12 5.898 -13.763 -6.851 62 HD3 PRO 12 2HD PRO 12 5.174 -15.165 -6.037 63 H PHE 13 H PHE 13 6.381 -17.550 -10.834 64 HA PHE 13 HA PHE 13 8.596 -16.083 -11.945 65 HB2 PHE 13 1HB PHE 13 8.001 -18.518 -12.442 66 HB3 PHE 13 2HB PHE 13 6.711 -17.885 -13.459 67 HD1 PHE 13 2HD PHE 13 7.314 -16.417 -15.406 68 HD2 PHE 13 1HD PHE 13 10.212 -18.629 -13.209 69 HE1 PHE 13 2HE PHE 13 8.900 -16.186 -17.273 70 HE2 PHE 13 1HE PHE 13 11.803 -18.400 -15.071 71 HZ PHE 13 HZ PHE 13 11.148 -17.179 -17.107 72 H THR 14 H THR 14 5.129 -16.358 -12.713 73 HA THR 14 HA THR 14 5.335 -13.856 -14.244 74 HB THR 14 HB THR 14 3.146 -15.943 -14.288 75 HG1 THR 14 1HG THR 14 5.051 -15.290 -16.303 76 HG21 THR 14 1HG2 THR 14 3.531 -13.604 -16.152 77 HG22 THR 14 2HG2 THR 14 2.444 -13.569 -14.762 78 HG23 THR 14 3HG2 THR 14 2.161 -14.711 -16.074 79 H ALA 15 H ALA 15 3.975 -12.130 -13.833 80 HA ALA 15 HA ALA 15 2.203 -12.338 -11.500 81 HB1 ALA 15 1HB ALA 15 4.673 -11.077 -11.420 82 HB2 ALA 15 2HB ALA 15 3.514 -9.761 -11.615 83 HB3 ALA 15 3HB ALA 15 3.353 -10.885 -10.266 84 H LYS 16 H LYS 16 1.039 -10.038 -11.303 85 HA LYS 16 HA LYS 16 -0.180 -9.595 -13.931 86 HB2 LYS 16 1HB LYS 16 -1.118 -9.221 -11.108 87 HB3 LYS 16 2HB LYS 16 -1.896 -8.334 -12.413 88 HG2 LYS 16 1HG LYS 16 -3.236 -10.169 -12.331 89 HG3 LYS 16 2HG LYS 16 -2.040 -10.728 -13.501 90 HD2 LYS 16 1HD LYS 16 -2.184 -12.521 -12.041 91 HD3 LYS 16 2HD LYS 16 -0.793 -11.634 -11.412 92 HE2 LYS 16 1HE LYS 16 -1.996 -12.052 -9.490 93 HE3 LYS 16 2HE LYS 16 -2.568 -10.443 -9.928 94 HZ1 LYS 16 1HZ LYS 16 -4.486 -11.645 -9.440 95 HZ2 LYS 16 2HZ LYS 16 -3.955 -13.032 -10.250 96 HZ3 LYS 16 3HZ LYS 16 -4.424 -11.666 -11.131 97 H ILE 17 H ILE 17 0.680 -7.963 -15.037 98 HA ILE 17 HA ILE 17 1.949 -5.737 -13.713 99 HB ILE 17 HB ILE 17 1.411 -6.098 -16.661 100 HG12 ILE 17 1HG1 ILE 17 3.884 -6.811 -15.070 101 HG13 ILE 17 2HG1 ILE 17 2.722 -7.970 -15.706 102 HG21 ILE 17 1HG2 ILE 17 2.018 -3.913 -16.557 103 HG22 ILE 17 2HG2 ILE 17 2.891 -4.114 -15.039 104 HG23 ILE 17 3HG2 ILE 17 3.631 -4.626 -16.556 105 HD11 ILE 17 1HD1 ILE 17 4.654 -6.240 -17.200 106 HD12 ILE 17 2HD1 ILE 17 4.480 -7.996 -17.230 107 HD13 ILE 17 3HD1 ILE 17 3.260 -6.976 -17.993 108 H THR 18 H THR 18 -1.136 -6.447 -15.093 109 HA THR 18 HA THR 18 -1.891 -3.609 -15.049 110 HB THR 18 HB THR 18 -2.399 -4.835 -17.128 111 HG1 THR 18 1HG THR 18 -4.636 -4.208 -17.175 112 HG21 THR 18 1HG2 THR 18 -3.102 -6.912 -15.443 113 HG22 THR 18 2HG2 THR 18 -3.392 -6.842 -17.181 114 HG23 THR 18 3HG2 THR 18 -4.650 -6.335 -16.054 115 H ASP 19 H ASP 19 -3.130 -2.828 -13.472 116 HA ASP 19 HA ASP 19 -4.485 -4.745 -11.693 117 HB2 ASP 19 1HB ASP 19 -2.879 -3.670 -10.368 118 HB3 ASP 19 2HB ASP 19 -3.141 -2.114 -11.150 119 H ASP 20 H ASP 20 -6.536 -4.149 -10.822 120 HA ASP 20 HA ASP 20 -7.995 -2.238 -12.526 121 HB2 ASP 20 1HB ASP 20 -9.262 -4.524 -11.026 122 HB3 ASP 20 2HB ASP 20 -9.928 -3.594 -12.364 123 H SER 21 H SER 21 -7.967 -3.651 -9.257 124 HA SER 21 HA SER 21 -8.552 -2.807 -7.226 125 HB2 SER 21 1HB SER 21 -7.563 -0.404 -8.704 126 HB3 SER 21 2HB SER 21 -8.338 -0.171 -7.137 127 HG SER 21 HG SER 21 -6.018 -1.672 -7.744 128 H ARG 22 H ARG 22 -10.676 -3.407 -8.897 129 HA ARG 22 HA ARG 22 -12.569 -1.343 -9.184 130 HB2 ARG 22 1HB ARG 22 -12.779 -4.339 -9.068 131 HB3 ARG 22 2HB ARG 22 -14.216 -3.333 -9.190 132 HG2 ARG 22 1HG ARG 22 -12.021 -2.861 -11.130 133 HG3 ARG 22 2HG ARG 22 -13.008 -4.312 -11.321 134 HD2 ARG 22 1HD ARG 22 -14.397 -1.726 -10.865 135 HD3 ARG 22 2HD ARG 22 -13.665 -2.001 -12.445 136 HE ARG 22 HE ARG 22 -15.153 -4.262 -11.830 137 HH11 ARG 22 1HH1 ARG 22 -15.702 -0.872 -12.404 138 HH12 ARG 22 2HH1 ARG 22 -17.297 -1.104 -13.038 139 HH21 ARG 22 1HH2 ARG 22 -17.252 -4.580 -12.663 140 HH22 ARG 22 2HH2 ARG 22 -18.178 -3.214 -13.185 141 H ARG 23 H ARG 23 -12.501 -3.981 -6.779 142 HA ARG 23 HA ARG 23 -14.059 -2.248 -4.978 143 HB2 ARG 23 1HB ARG 23 -14.972 -4.535 -5.786 144 HB3 ARG 23 2HB ARG 23 -13.808 -5.225 -4.662 145 HG2 ARG 23 1HG ARG 23 -14.861 -3.855 -2.858 146 HG3 ARG 23 2HG ARG 23 -16.111 -3.403 -4.017 147 HD2 ARG 23 1HD ARG 23 -16.837 -5.267 -2.620 148 HD3 ARG 23 2HD ARG 23 -16.698 -5.754 -4.310 149 HE ARG 23 HE ARG 23 -15.072 -6.661 -2.088 150 HH11 ARG 23 1HH1 ARG 23 -15.470 -6.467 -5.542 151 HH12 ARG 23 2HH1 ARG 23 -14.410 -7.799 -5.870 152 HH21 ARG 23 1HH2 ARG 23 -13.675 -8.416 -2.507 153 HH22 ARG 23 2HH2 ARG 23 -13.391 -8.906 -4.143 154 H CYS 24 H CYS 24 -11.687 -4.908 -4.782 155 HA CYS 24 HA CYS 24 -10.507 -3.550 -2.450 156 HB2 CYS 24 1HB CYS 24 -9.696 -5.751 -1.734 157 HB3 CYS 24 2HB CYS 24 -11.446 -5.754 -1.923 158 HG CYS 24 HG CYS 24 -9.868 -6.723 -4.691 159 H SER 25 H SER 25 -8.467 -2.862 -2.574 160 HA SER 25 HA SER 25 -7.039 -3.115 -5.054 161 HB2 SER 25 1HB SER 25 -6.250 -1.815 -2.435 162 HB3 SER 25 2HB SER 25 -5.343 -1.684 -3.942 163 HG SER 25 HG SER 25 -7.134 -0.652 -4.867 164 H GLN 26 H GLN 26 -5.830 -4.807 -5.558 165 HA GLN 26 HA GLN 26 -4.967 -6.711 -3.608 166 HB2 GLN 26 1HB GLN 26 -5.605 -7.146 -6.055 167 HB3 GLN 26 2HB GLN 26 -3.993 -6.568 -6.453 168 HG2 GLN 26 1HG GLN 26 -2.974 -8.338 -5.228 169 HG3 GLN 26 2HG GLN 26 -4.527 -8.842 -4.562 170 HE21 GLN 26 1HE2 GLN 26 -4.626 -10.868 -5.357 171 HE22 GLN 26 2HE2 GLN 26 -4.674 -11.253 -7.041 172 H VAL 27 H VAL 27 -3.196 -6.625 -2.409 173 HA VAL 27 HA VAL 27 -0.837 -5.213 -3.453 174 HB VAL 27 HB VAL 27 -1.688 -5.053 -0.564 175 HG11 VAL 27 1HG1 VAL 27 0.593 -4.639 -0.656 176 HG12 VAL 27 2HG1 VAL 27 0.484 -3.822 -2.216 177 HG13 VAL 27 3HG1 VAL 27 -0.100 -3.021 -0.757 178 HG21 VAL 27 1HG2 VAL 27 -3.351 -3.753 -1.392 179 HG22 VAL 27 2HG2 VAL 27 -2.063 -2.548 -1.421 180 HG23 VAL 27 3HG2 VAL 27 -2.490 -3.416 -2.895 181 H LYS 28 H LYS 28 1.183 -5.932 -2.619 182 HA LYS 28 HA LYS 28 1.127 -8.740 -1.825 183 HB2 LYS 28 1HB LYS 28 3.494 -7.038 -2.628 184 HB3 LYS 28 2HB LYS 28 3.469 -8.789 -2.458 185 HG2 LYS 28 1HG LYS 28 1.730 -7.337 -4.429 186 HG3 LYS 28 2HG LYS 28 3.369 -7.871 -4.811 187 HD2 LYS 28 1HD LYS 28 2.453 -10.163 -3.856 188 HD3 LYS 28 2HD LYS 28 0.903 -9.468 -4.337 189 HE2 LYS 28 1HE LYS 28 1.550 -10.616 -6.240 190 HE3 LYS 28 2HE LYS 28 2.100 -8.976 -6.580 191 HZ1 LYS 28 1HZ LYS 28 4.317 -9.580 -5.972 192 HZ2 LYS 28 2HZ LYS 28 3.759 -10.706 -7.104 193 HZ3 LYS 28 3HZ LYS 28 3.826 -11.118 -5.464 194 H LEU 29 H LEU 29 1.165 -9.188 0.271 195 HA LEU 29 HA LEU 29 1.842 -7.362 2.296 196 HB2 LEU 29 1HB LEU 29 0.468 -9.596 2.326 197 HB3 LEU 29 2HB LEU 29 2.025 -10.304 2.749 198 HG LEU 29 HG LEU 29 2.109 -8.699 4.686 199 HD11 LEU 29 1HD1 LEU 29 -0.054 -7.760 5.416 200 HD12 LEU 29 2HD1 LEU 29 -0.759 -8.248 3.876 201 HD13 LEU 29 3HD1 LEU 29 0.532 -7.047 3.913 202 HD21 LEU 29 1HD2 LEU 29 0.108 -9.987 5.847 203 HD22 LEU 29 2HD2 LEU 29 1.612 -10.801 5.414 204 HD23 LEU 29 3HD2 LEU 29 0.196 -10.948 4.371 205 H GLY 30 H GLY 30 3.621 -7.319 3.736 206 HA2 GLY 30 1HA GLY 30 5.850 -7.358 4.280 207 HA3 GLY 30 2HA GLY 30 5.904 -8.943 3.521 208 H SER 31 H SER 31 4.826 -6.385 1.524 209 HA SER 31 HA SER 31 7.511 -5.962 0.425 210 HB2 SER 31 1HB SER 31 5.087 -6.797 -1.186 211 HB3 SER 31 2HB SER 31 6.614 -6.252 -1.880 212 HG SER 31 HG SER 31 7.583 -8.029 -0.649 213 H ALA 32 H ALA 32 7.882 -3.860 0.306 214 HA ALA 32 HA ALA 32 6.100 -1.835 0.841 215 HB1 ALA 32 1HB ALA 32 8.453 -1.419 0.897 216 HB2 ALA 32 2HB ALA 32 8.607 -1.755 -0.828 217 HB3 ALA 32 3HB ALA 32 7.735 -0.322 -0.282 218 H ALA 33 H ALA 33 4.286 -1.309 -0.174 219 HA ALA 33 HA ALA 33 4.252 -1.383 -3.122 220 HB1 ALA 33 1HB ALA 33 2.350 -2.539 -3.117 221 HB2 ALA 33 2HB ALA 33 2.644 -2.835 -1.403 222 HB3 ALA 33 3HB ALA 33 1.625 -1.486 -1.902 223 H ASP 34 H ASP 34 3.462 0.367 -4.205 224 HA ASP 34 HA ASP 34 3.289 2.836 -2.732 225 HB2 ASP 34 1HB ASP 34 4.426 2.661 -4.942 226 HB3 ASP 34 2HB ASP 34 2.861 2.351 -5.688 227 H PHE 35 H PHE 35 1.516 4.341 -2.907 228 HA PHE 35 HA PHE 35 -1.076 3.172 -3.599 229 HB2 PHE 35 1HB PHE 35 -0.335 4.326 -0.911 230 HB3 PHE 35 2HB PHE 35 -2.005 4.175 -1.449 231 HD1 PHE 35 2HD PHE 35 -2.992 1.950 -1.807 232 HD2 PHE 35 1HD PHE 35 0.913 2.438 -0.187 233 HE1 PHE 35 2HE PHE 35 -3.041 -0.374 -1.000 234 HE2 PHE 35 1HE PHE 35 0.871 0.114 0.623 235 HZ PHE 35 HZ PHE 35 -1.109 -1.294 0.217 236 H LEU 36 H LEU 36 -2.055 4.520 -4.941 237 HA LEU 36 HA LEU 36 -1.317 7.343 -4.952 238 HB2 LEU 36 1HB LEU 36 -1.509 5.760 -7.011 239 HB3 LEU 36 2HB LEU 36 -3.236 6.091 -6.874 240 HG LEU 36 HG LEU 36 -2.492 8.585 -6.954 241 HD11 LEU 36 1HD1 LEU 36 -0.135 8.324 -6.775 242 HD12 LEU 36 2HD1 LEU 36 -0.481 8.853 -8.421 243 HD13 LEU 36 3HD1 LEU 36 -0.101 7.161 -8.101 244 HD21 LEU 36 1HD2 LEU 36 -3.679 7.037 -8.704 245 HD22 LEU 36 2HD2 LEU 36 -2.139 7.167 -9.553 246 HD23 LEU 36 3HD2 LEU 36 -3.064 8.621 -9.177 247 H LEU 37 H LEU 37 -2.472 8.724 -3.794 248 HA LEU 37 HA LEU 37 -5.368 8.257 -3.524 249 HB2 LEU 37 1HB LEU 37 -5.353 8.890 -1.301 250 HB3 LEU 37 2HB LEU 37 -3.884 7.928 -1.449 251 HG LEU 37 HG LEU 37 -3.989 10.944 -1.445 252 HD11 LEU 37 1HD1 LEU 37 -3.139 10.846 0.789 253 HD12 LEU 37 2HD1 LEU 37 -3.045 9.085 0.730 254 HD13 LEU 37 3HD1 LEU 37 -4.617 9.885 0.719 255 HD21 LEU 37 1HD2 LEU 37 -1.801 8.934 -1.731 256 HD22 LEU 37 2HD2 LEU 37 -1.475 10.471 -0.932 257 HD23 LEU 37 3HD2 LEU 37 -2.057 10.448 -2.596 258 H ASP 38 H ASP 38 -6.715 9.993 -3.781 259 HA ASP 38 HA ASP 38 -5.552 12.322 -5.063 260 HB2 ASP 38 1HB ASP 38 -8.478 11.780 -4.558 261 HB3 ASP 38 2HB ASP 38 -7.775 12.872 -5.748 262 H ILE 39 H ILE 39 -4.631 13.607 -3.529 263 HA ILE 39 HA ILE 39 -6.445 14.678 -1.468 264 HB ILE 39 HB ILE 39 -4.303 15.129 -0.145 265 HG12 ILE 39 1HG1 ILE 39 -3.157 12.798 -1.629 266 HG13 ILE 39 2HG1 ILE 39 -2.949 14.415 -2.291 267 HG21 ILE 39 1HG2 ILE 39 -4.242 12.487 0.382 268 HG22 ILE 39 2HG2 ILE 39 -5.512 13.571 0.946 269 HG23 ILE 39 3HG2 ILE 39 -5.763 12.598 -0.502 270 HD11 ILE 39 1HD1 ILE 39 -1.192 14.660 -0.977 271 HD12 ILE 39 2HD1 ILE 39 -2.268 14.596 0.419 272 HD13 ILE 39 3HD1 ILE 39 -1.518 13.119 -0.185 273 H SER 40 H SER 40 -6.687 16.826 -1.427 274 HA SER 40 HA SER 40 -5.376 18.417 -3.438 275 HB2 SER 40 1HB SER 40 -7.828 18.605 -2.651 276 HB3 SER 40 2HB SER 40 -7.177 19.500 -1.279 277 HG SER 40 HG SER 40 -7.595 20.327 -3.813 278 H GLU 41 H GLU 41 -3.470 17.460 -1.711 279 HA GLU 41 HA GLU 41 -2.572 19.937 -0.410 280 HB2 GLU 41 1HB GLU 41 -2.392 17.149 0.740 281 HB3 GLU 41 2HB GLU 41 -1.560 18.549 1.402 282 HG2 GLU 41 1HG GLU 41 -4.537 18.169 1.192 283 HG3 GLU 41 2HG GLU 41 -3.565 18.095 2.661 284 H THR 42 H THR 42 -0.751 20.589 -1.321 285 HA THR 42 HA THR 42 1.043 18.576 -2.504 286 HB THR 42 HB THR 42 0.173 20.191 -4.128 287 HG1 THR 42 1HG THR 42 2.115 19.768 -4.879 288 HG21 THR 42 1HG2 THR 42 1.025 22.111 -2.055 289 HG22 THR 42 2HG2 THR 42 -0.281 22.221 -3.236 290 HG23 THR 42 3HG2 THR 42 1.377 22.575 -3.719 291 H ASP 43 H ASP 43 1.061 19.204 0.297 292 HA ASP 43 HA ASP 43 3.758 20.367 0.507 293 HB2 ASP 43 1HB ASP 43 1.518 20.678 2.518 294 HB3 ASP 43 2HB ASP 43 3.150 21.321 2.679 295 H LEU 44 H LEU 44 4.481 18.149 0.320 296 HA LEU 44 HA LEU 44 3.805 15.977 1.805 297 HB2 LEU 44 1HB LEU 44 6.357 16.973 0.682 298 HB3 LEU 44 2HB LEU 44 6.462 15.661 1.855 299 HG LEU 44 HG LEU 44 4.573 15.345 -0.420 300 HD11 LEU 44 1HD1 LEU 44 6.748 16.275 -1.329 301 HD12 LEU 44 2HD1 LEU 44 6.231 14.715 -1.968 302 HD13 LEU 44 3HD1 LEU 44 7.507 14.791 -0.754 303 HD21 LEU 44 1HD2 LEU 44 4.509 13.508 0.955 304 HD22 LEU 44 2HD2 LEU 44 6.217 13.630 1.381 305 HD23 LEU 44 3HD2 LEU 44 5.745 13.011 -0.202 306 H SER 45 H SER 45 6.645 17.871 2.798 307 HA SER 45 HA SER 45 6.939 16.987 5.335 308 HB2 SER 45 1HB SER 45 7.419 19.665 4.094 309 HB3 SER 45 2HB SER 45 7.631 19.487 5.836 310 HG SER 45 HG SER 45 8.965 18.083 3.768 311 H SER 46 H SER 46 4.977 19.846 4.498 312 HA SER 46 HA SER 46 3.946 20.489 6.932 313 HB2 SER 46 1HB SER 46 2.413 20.444 4.322 314 HB3 SER 46 2HB SER 46 1.965 21.367 5.756 315 HG SER 46 HG SER 46 4.365 21.669 4.266 316 H LEU 47 H LEU 47 2.973 17.821 4.864 317 HA LEU 47 HA LEU 47 0.832 17.057 6.679 318 HB2 LEU 47 1HB LEU 47 1.824 15.704 4.175 319 HB3 LEU 47 2HB LEU 47 0.357 15.298 5.064 320 HG LEU 47 HG LEU 47 0.827 17.941 3.690 321 HD11 LEU 47 1HD1 LEU 47 -0.166 15.348 2.691 322 HD12 LEU 47 2HD1 LEU 47 0.608 16.678 1.831 323 HD13 LEU 47 3HD1 LEU 47 -1.104 16.772 2.244 324 HD21 LEU 47 1HD2 LEU 47 -0.906 18.552 4.952 325 HD22 LEU 47 2HD2 LEU 47 -1.213 16.896 5.477 326 HD23 LEU 47 3HD2 LEU 47 -1.880 17.475 3.951 327 H THR 48 H THR 48 0.698 14.768 7.402 328 HA THR 48 HA THR 48 3.364 13.685 8.043 329 HB THR 48 HB THR 48 1.089 13.249 9.926 330 HG1 THR 48 1HG THR 48 0.949 15.394 10.013 331 HG21 THR 48 1HG2 THR 48 4.052 13.171 9.960 332 HG22 THR 48 2HG2 THR 48 2.881 12.106 10.739 333 HG23 THR 48 3HG2 THR 48 3.250 13.679 11.445 334 H ALA 49 H ALA 49 3.580 11.447 8.113 335 HA ALA 49 HA ALA 49 1.328 9.947 6.943 336 HB1 ALA 49 1HB ALA 49 3.781 10.307 5.827 337 HB2 ALA 49 2HB ALA 49 3.997 8.769 6.665 338 HB3 ALA 49 3HB ALA 49 2.704 8.954 5.478 339 H SER 50 H SER 50 0.444 8.467 8.216 340 HA SER 50 HA SER 50 2.104 6.917 10.037 341 HB2 SER 50 1HB SER 50 0.005 8.860 10.902 342 HB3 SER 50 2HB SER 50 0.172 7.350 11.798 343 HG SER 50 HG SER 50 1.957 8.070 12.642 344 H ILE 51 H ILE 51 1.546 4.849 9.920 345 HA ILE 51 HA ILE 51 -1.235 4.169 9.237 346 HB ILE 51 HB ILE 51 1.251 2.891 8.096 347 HG12 ILE 51 1HG1 ILE 51 -1.018 4.415 6.798 348 HG13 ILE 51 2HG1 ILE 51 0.632 4.994 7.008 349 HG21 ILE 51 1HG2 ILE 51 -1.597 2.130 7.501 350 HG22 ILE 51 2HG2 ILE 51 -0.121 1.292 7.024 351 HG23 ILE 51 3HG2 ILE 51 -0.617 1.308 8.715 352 HD11 ILE 51 1HD1 ILE 51 1.472 3.517 5.409 353 HD12 ILE 51 2HD1 ILE 51 0.022 2.512 5.446 354 HD13 ILE 51 3HD1 ILE 51 -0.035 4.117 4.717 355 H LYS 52 H LYS 52 -2.066 2.314 10.170 356 HA LYS 52 HA LYS 52 -0.365 0.657 11.842 357 HB2 LYS 52 1HB LYS 52 -0.931 2.458 13.369 358 HB3 LYS 52 2HB LYS 52 -2.638 2.297 12.976 359 HG2 LYS 52 1HG LYS 52 -2.897 0.411 14.238 360 HG3 LYS 52 2HG LYS 52 -1.210 -0.074 14.058 361 HD2 LYS 52 1HD LYS 52 -1.194 0.616 16.240 362 HD3 LYS 52 2HD LYS 52 -0.787 2.135 15.438 363 HE2 LYS 52 1HE LYS 52 -3.634 1.398 16.027 364 HE3 LYS 52 2HE LYS 52 -2.615 2.151 17.252 365 HZ1 LYS 52 1HZ LYS 52 -3.861 3.822 16.081 366 HZ2 LYS 52 2HZ LYS 52 -3.284 3.278 14.588 367 HZ3 LYS 52 3HZ LYS 52 -2.222 3.989 15.697 368 H ALA 53 H ALA 53 -0.912 -1.342 11.302 369 HA ALA 53 HA ALA 53 -3.050 -2.192 9.840 370 HB1 ALA 53 1HB ALA 53 -2.016 -4.142 10.050 371 HB2 ALA 53 2HB ALA 53 -0.963 -3.420 11.267 372 HB3 ALA 53 3HB ALA 53 -2.450 -4.231 11.758 373 HA PRO 54 HA PRO 54 -6.701 -2.334 12.272 374 HB2 PRO 54 1HB PRO 54 -7.711 -4.814 11.817 375 HB3 PRO 54 2HB PRO 54 -7.709 -3.537 10.594 376 HG2 PRO 54 1HG PRO 54 -5.824 -5.839 10.934 377 HG3 PRO 54 2HG PRO 54 -6.553 -5.200 9.448 378 HD2 PRO 54 1HD PRO 54 -4.014 -4.625 10.190 379 HD3 PRO 54 2HD PRO 54 -5.030 -3.477 9.293 380 H SER 55 H SER 55 -4.208 -4.596 12.937 381 HA SER 55 HA SER 55 -5.486 -5.633 15.334 382 HB2 SER 55 1HB SER 55 -4.006 -7.016 13.772 383 HB3 SER 55 2HB SER 55 -2.641 -6.136 14.461 384 HG SER 55 HG SER 55 -4.252 -8.089 15.588 385 H GLY 56 H GLY 56 -3.971 -2.839 14.572 386 HA2 GLY 56 1HA GLY 56 -3.422 -1.125 16.068 387 HA3 GLY 56 2HA GLY 56 -3.335 -2.312 17.361 388 H ARG 57 H ARG 57 -1.651 -3.031 14.449 389 HA ARG 57 HA ARG 57 0.889 -2.582 15.849 390 HB2 ARG 57 1HB ARG 57 0.267 -4.298 13.438 391 HB3 ARG 57 2HB ARG 57 1.844 -4.152 14.201 392 HG2 ARG 57 1HG ARG 57 0.805 -5.030 16.305 393 HG3 ARG 57 2HG ARG 57 -0.650 -5.359 15.364 394 HD2 ARG 57 1HD ARG 57 0.402 -6.990 14.078 395 HD3 ARG 57 2HD ARG 57 2.014 -6.395 14.474 396 HE ARG 57 HE ARG 57 1.991 -7.693 16.360 397 HH11 ARG 57 1HH1 ARG 57 -1.250 -7.423 15.118 398 HH12 ARG 57 2HH1 ARG 57 -1.906 -8.596 16.211 399 HH21 ARG 57 1HH2 ARG 57 1.139 -9.239 17.805 400 HH22 ARG 57 2HH2 ARG 57 -0.546 -9.628 17.740 401 H ASP 58 H ASP 58 1.941 -0.788 15.344 402 HA ASP 58 HA ASP 58 1.333 0.894 13.191 403 HB2 ASP 58 1HB ASP 58 2.436 2.009 14.886 404 HB3 ASP 58 2HB ASP 58 3.590 0.702 15.139 405 H GLU 59 H GLU 59 2.289 1.254 11.207 406 HA GLU 59 HA GLU 59 4.171 -0.822 10.293 407 HB2 GLU 59 1HB GLU 59 2.111 0.513 8.541 408 HB3 GLU 59 2HB GLU 59 3.092 -0.898 8.170 409 HG2 GLU 59 1HG GLU 59 0.979 -0.812 10.311 410 HG3 GLU 59 2HG GLU 59 0.723 -1.415 8.674 411 HA PRO 60 HA PRO 60 6.864 2.466 9.154 412 HB2 PRO 60 1HB PRO 60 8.344 1.181 7.274 413 HB3 PRO 60 2HB PRO 60 8.508 0.866 9.006 414 HG2 PRO 60 1HG PRO 60 6.998 -0.680 6.934 415 HG3 PRO 60 2HG PRO 60 8.028 -1.279 8.247 416 HD2 PRO 60 1HD PRO 60 5.326 -1.259 8.409 417 HD3 PRO 60 2HD PRO 60 6.368 -1.037 9.829 418 H CYS 61 H CYS 61 5.552 3.985 8.155 419 HA CYS 61 HA CYS 61 5.133 3.646 5.260 420 HB2 CYS 61 1HB CYS 61 3.257 5.154 5.430 421 HB3 CYS 61 2HB CYS 61 3.071 3.891 6.641 422 HG CYS 61 HG CYS 61 2.544 5.592 8.481 423 H LEU 62 H LEU 62 5.686 5.300 3.855 424 HA LEU 62 HA LEU 62 7.010 7.660 4.965 425 HB2 LEU 62 1HB LEU 62 8.593 5.667 4.359 426 HB3 LEU 62 2HB LEU 62 8.326 6.218 2.707 427 HG LEU 62 HG LEU 62 10.379 7.154 3.492 428 HD11 LEU 62 1HD1 LEU 62 9.940 9.529 3.251 429 HD12 LEU 62 2HD1 LEU 62 8.228 9.266 3.583 430 HD13 LEU 62 3HD1 LEU 62 8.954 8.603 2.120 431 HD21 LEU 62 1HD2 LEU 62 10.348 7.081 5.801 432 HD22 LEU 62 2HD2 LEU 62 8.762 7.846 5.911 433 HD23 LEU 62 3HD2 LEU 62 10.180 8.808 5.487 434 H LEU 63 H LEU 63 6.220 9.407 4.012 435 HA LEU 63 HA LEU 63 4.675 9.193 1.587 436 HB2 LEU 63 1HB LEU 63 5.226 11.303 3.604 437 HB3 LEU 63 2HB LEU 63 4.702 11.815 2.000 438 HG LEU 63 HG LEU 63 3.170 9.940 3.802 439 HD11 LEU 63 1HD1 LEU 63 1.853 12.417 3.295 440 HD12 LEU 63 2HD1 LEU 63 3.457 12.743 3.953 441 HD13 LEU 63 3HD1 LEU 63 2.333 11.710 4.837 442 HD21 LEU 63 1HD2 LEU 63 1.379 10.866 2.045 443 HD22 LEU 63 2HD2 LEU 63 2.312 9.393 1.780 444 HD23 LEU 63 3HD2 LEU 63 2.820 10.908 1.029 445 H LYS 64 H LYS 64 5.205 9.892 -0.420 446 HA LYS 64 HA LYS 64 7.672 11.395 -0.823 447 HB2 LYS 64 1HB LYS 64 8.498 9.826 -2.516 448 HB3 LYS 64 2HB LYS 64 8.380 9.057 -0.938 449 HG2 LYS 64 1HG LYS 64 6.212 8.073 -1.643 450 HG3 LYS 64 2HG LYS 64 6.480 8.745 -3.252 451 HD2 LYS 64 1HD LYS 64 7.197 6.474 -3.307 452 HD3 LYS 64 2HD LYS 64 8.648 7.479 -3.314 453 HE2 LYS 64 1HE LYS 64 9.009 7.071 -0.976 454 HE3 LYS 64 2HE LYS 64 7.465 6.232 -0.837 455 HZ1 LYS 64 1HZ LYS 64 9.893 5.084 -1.349 456 HZ2 LYS 64 2HZ LYS 64 9.124 5.085 -2.855 457 HZ3 LYS 64 3HZ LYS 64 8.381 4.345 -1.528 458 H ARG 65 H ARG 65 7.879 12.229 -3.026 459 HA ARG 65 HA ARG 65 5.266 12.941 -4.087 460 HB2 ARG 65 1HB ARG 65 7.384 14.484 -3.667 461 HB3 ARG 65 2HB ARG 65 7.803 13.949 -5.288 462 HG2 ARG 65 1HG ARG 65 5.242 15.325 -4.500 463 HG3 ARG 65 2HG ARG 65 6.614 16.076 -5.318 464 HD2 ARG 65 1HD ARG 65 6.307 14.657 -7.239 465 HD3 ARG 65 2HD ARG 65 5.045 13.745 -6.410 466 HE ARG 65 HE ARG 65 3.563 15.350 -7.049 467 HH11 ARG 65 1HH1 ARG 65 6.763 16.719 -7.114 468 HH12 ARG 65 2HH1 ARG 65 6.242 18.234 -7.773 469 HH21 ARG 65 1HH2 ARG 65 2.865 17.340 -7.916 470 HH22 ARG 65 2HH2 ARG 65 4.025 18.588 -8.228 471 H LEU 66 H LEU 66 4.373 11.819 -5.676 472 HA LEU 66 HA LEU 66 5.999 10.050 -7.311 473 HB2 LEU 66 1HB LEU 66 3.022 10.469 -7.116 474 HB3 LEU 66 2HB LEU 66 3.786 9.318 -8.212 475 HG LEU 66 HG LEU 66 3.957 9.225 -5.201 476 HD11 LEU 66 1HD1 LEU 66 2.581 7.089 -5.658 477 HD12 LEU 66 2HD1 LEU 66 2.164 7.876 -7.180 478 HD13 LEU 66 3HD1 LEU 66 1.757 8.648 -5.648 479 HD21 LEU 66 1HD2 LEU 66 5.189 7.655 -7.402 480 HD22 LEU 66 2HD2 LEU 66 4.664 6.790 -5.957 481 HD23 LEU 66 3HD2 LEU 66 5.840 8.099 -5.824 482 HA PRO 67 HA PRO 67 6.183 12.583 -10.892 483 HB2 PRO 67 1HB PRO 67 6.065 10.718 -12.861 484 HB3 PRO 67 2HB PRO 67 7.487 10.945 -11.837 485 HG2 PRO 67 1HG PRO 67 5.308 8.904 -11.626 486 HG3 PRO 67 2HG PRO 67 7.059 8.694 -11.442 487 HD2 PRO 67 1HD PRO 67 5.385 8.882 -9.323 488 HD3 PRO 67 2HD PRO 67 7.054 9.484 -9.277 489 H ASN 68 H ASN 68 5.071 12.819 -13.136 490 HA ASN 68 HA ASN 68 3.195 13.383 -14.291 491 HB2 ASN 68 1HB ASN 68 1.914 11.052 -12.849 492 HB3 ASN 68 2HB ASN 68 1.383 11.779 -14.363 493 HD21 ASN 68 1HD2 ASN 68 1.584 9.365 -14.829 494 HD22 ASN 68 2HD2 ASN 68 3.090 8.851 -15.500 495 H ASN 69 H ASN 69 3.680 14.549 -11.660 496 HA ASN 69 HA ASN 69 2.680 15.958 -10.180 497 HB2 ASN 69 1HB ASN 69 0.778 15.923 -12.481 498 HB3 ASN 69 2HB ASN 69 0.261 16.693 -10.984 499 HD21 ASN 69 1HD2 ASN 69 1.891 17.102 -13.862 500 HD22 ASN 69 2HD2 ASN 69 2.687 18.594 -13.507 501 H HIS 70 H HIS 70 2.591 13.393 -9.373 502 HA HIS 70 HA HIS 70 -0.021 13.239 -8.037 503 HB2 HIS 70 1HB HIS 70 1.484 10.879 -9.187 504 HB3 HIS 70 2HB HIS 70 -0.009 10.791 -8.256 505 HD1 HIS 70 1HD HIS 70 -1.256 13.333 -9.840 506 HD2 HIS 70 2HD HIS 70 0.247 9.816 -11.461 507 HE1 HIS 70 1HE HIS 70 -2.352 13.109 -12.092 508 HE2 HIS 70 2HE HIS 70 -1.492 10.930 -13.018 509 H ILE 71 H ILE 71 0.023 11.997 -6.025 510 HA ILE 71 HA ILE 71 2.661 11.581 -4.848 511 HB ILE 71 HB ILE 71 0.596 13.428 -3.649 512 HG12 ILE 71 1HG1 ILE 71 3.452 13.902 -4.527 513 HG13 ILE 71 2HG1 ILE 71 2.013 14.456 -5.374 514 HG21 ILE 71 1HG2 ILE 71 3.236 12.646 -2.438 515 HG22 ILE 71 2HG2 ILE 71 1.934 13.577 -1.699 516 HG23 ILE 71 3HG2 ILE 71 1.714 11.857 -2.025 517 HD11 ILE 71 1HD1 ILE 71 2.610 15.268 -2.552 518 HD12 ILE 71 2HD1 ILE 71 3.238 16.148 -3.946 519 HD13 ILE 71 3HD1 ILE 71 1.497 16.010 -3.700 520 H GLY 72 H GLY 72 2.720 9.929 -3.414 521 HA2 GLY 72 1HA GLY 72 0.203 8.934 -2.288 522 HA3 GLY 72 2HA GLY 72 1.150 7.836 -3.282 523 H ILE 73 H ILE 73 0.916 6.691 -1.088 524 HA ILE 73 HA ILE 73 3.192 7.458 0.622 525 HB ILE 73 HB ILE 73 1.034 7.619 1.794 526 HG12 ILE 73 1HG1 ILE 73 2.517 5.222 2.860 527 HG13 ILE 73 2HG1 ILE 73 3.226 6.833 2.881 528 HG21 ILE 73 1HG2 ILE 73 -0.209 5.529 2.298 529 HG22 ILE 73 2HG2 ILE 73 -0.253 5.983 0.595 530 HG23 ILE 73 3HG2 ILE 73 0.814 4.686 1.134 531 HD11 ILE 73 1HD1 ILE 73 2.249 7.101 4.850 532 HD12 ILE 73 2HD1 ILE 73 0.714 7.185 3.985 533 HD13 ILE 73 3HD1 ILE 73 1.273 5.647 4.644 534 H SER 74 H SER 74 4.579 5.841 1.355 535 HA SER 74 HA SER 74 4.278 3.217 0.049 536 HB2 SER 74 1HB SER 74 6.025 4.623 -1.044 537 HB3 SER 74 2HB SER 74 6.889 4.685 0.492 538 HG SER 74 HG SER 74 7.100 2.424 0.393 539 H PHE 75 H PHE 75 4.130 1.620 1.463 540 HA PHE 75 HA PHE 75 5.805 1.588 3.832 541 HB2 PHE 75 1HB PHE 75 4.121 1.530 5.439 542 HB3 PHE 75 2HB PHE 75 3.536 2.760 4.324 543 HD1 PHE 75 1HD PHE 75 1.767 2.161 2.665 544 HD2 PHE 75 2HD PHE 75 2.900 -0.439 5.839 545 HE1 PHE 75 1HE PHE 75 -0.333 0.911 2.385 546 HE2 PHE 75 2HE PHE 75 0.801 -1.692 5.565 547 HZ PHE 75 HZ PHE 75 -0.819 -1.019 3.835 548 H ILE 76 H ILE 76 5.355 -0.521 5.100 549 HA ILE 76 HA ILE 76 4.877 -2.681 3.150 550 HB ILE 76 HB ILE 76 6.785 -2.701 5.491 551 HG12 ILE 76 1HG1 ILE 76 7.452 -2.862 2.552 552 HG13 ILE 76 2HG1 ILE 76 7.418 -1.338 3.433 553 HG21 ILE 76 1HG2 ILE 76 5.521 -4.858 4.657 554 HG22 ILE 76 2HG2 ILE 76 6.751 -4.808 3.395 555 HG23 ILE 76 3HG2 ILE 76 7.230 -4.907 5.089 556 HD11 ILE 76 1HD1 ILE 76 9.123 -2.256 4.975 557 HD12 ILE 76 2HD1 ILE 76 9.217 -3.690 3.953 558 HD13 ILE 76 3HD1 ILE 76 9.672 -2.114 3.306 559 HA PRO 77 HA PRO 77 1.603 -3.409 6.196 560 HB2 PRO 77 1HB PRO 77 0.128 -4.976 4.542 561 HB3 PRO 77 2HB PRO 77 0.087 -3.210 4.481 562 HG2 PRO 77 1HG PRO 77 1.596 -5.130 2.750 563 HG3 PRO 77 2HG PRO 77 0.692 -3.677 2.285 564 HD2 PRO 77 1HD PRO 77 3.390 -3.702 2.519 565 HD3 PRO 77 2HD PRO 77 2.414 -2.264 2.879 566 H ARG 78 H ARG 78 1.608 -4.976 7.683 567 HA ARG 78 HA ARG 78 2.919 -7.521 7.017 568 HB2 ARG 78 1HB ARG 78 2.640 -5.949 9.551 569 HB3 ARG 78 2HB ARG 78 2.897 -7.686 9.634 570 HG2 ARG 78 1HG ARG 78 5.043 -6.882 9.764 571 HG3 ARG 78 2HG ARG 78 4.888 -7.201 8.036 572 HD2 ARG 78 1HD ARG 78 5.802 -5.089 8.027 573 HD3 ARG 78 2HD ARG 78 4.080 -4.725 7.939 574 HE ARG 78 HE ARG 78 4.227 -3.738 9.995 575 HH11 ARG 78 1HH1 ARG 78 7.020 -5.758 9.509 576 HH12 ARG 78 2HH1 ARG 78 7.820 -5.222 10.949 577 HH21 ARG 78 1HH2 ARG 78 5.269 -3.024 11.894 578 HH22 ARG 78 2HH2 ARG 78 6.823 -3.668 12.305 579 H GLU 79 H GLU 79 -0.097 -6.247 7.286 580 HA GLU 79 HA GLU 79 -1.253 -8.880 7.820 581 HB2 GLU 79 1HB GLU 79 -1.818 -6.363 9.336 582 HB3 GLU 79 2HB GLU 79 -3.113 -7.527 9.090 583 HG2 GLU 79 1HG GLU 79 -1.973 -9.203 10.288 584 HG3 GLU 79 2HG GLU 79 -0.462 -8.296 10.267 585 H VAL 80 H VAL 80 -3.688 -8.819 7.318 586 HA VAL 80 HA VAL 80 -4.116 -7.143 4.929 587 HB VAL 80 HB VAL 80 -5.560 -8.973 4.065 588 HG11 VAL 80 1HG1 VAL 80 -3.813 -9.873 2.975 589 HG12 VAL 80 2HG1 VAL 80 -2.862 -8.706 3.895 590 HG13 VAL 80 3HG1 VAL 80 -3.009 -10.369 4.464 591 HG21 VAL 80 1HG2 VAL 80 -5.281 -11.227 5.082 592 HG22 VAL 80 2HG2 VAL 80 -4.463 -10.464 6.446 593 HG23 VAL 80 3HG2 VAL 80 -6.153 -10.088 6.107 594 H GLY 81 H GLY 81 -6.125 -6.218 4.619 595 HA2 GLY 81 1HA GLY 81 -8.562 -6.561 5.495 596 HA3 GLY 81 2HA GLY 81 -7.807 -6.124 7.021 597 H GLU 82 H GLU 82 -8.804 -4.200 7.388 598 HA GLU 82 HA GLU 82 -8.593 -2.140 5.302 599 HB2 GLU 82 1HB GLU 82 -10.860 -2.433 5.991 600 HB3 GLU 82 2HB GLU 82 -10.414 -2.404 7.691 601 HG2 GLU 82 1HG GLU 82 -9.635 -0.020 7.284 602 HG3 GLU 82 2HG GLU 82 -10.494 -0.123 5.748 603 H HIS 83 H HIS 83 -6.651 -1.184 5.560 604 HA HIS 83 HA HIS 83 -5.655 -0.550 8.213 605 HB2 HIS 83 1HB HIS 83 -4.531 -0.434 5.442 606 HB3 HIS 83 2HB HIS 83 -3.779 0.524 6.713 607 HD1 HIS 83 1HD HIS 83 -4.919 -3.102 6.378 608 HD2 HIS 83 2HD HIS 83 -1.759 -0.843 7.855 609 HE1 HIS 83 1HE HIS 83 -3.272 -4.767 7.295 610 HE2 HIS 83 2HE HIS 83 -1.409 -3.374 8.260 611 H LEU 84 H LEU 84 -5.404 1.489 9.056 612 HA LEU 84 HA LEU 84 -6.810 3.640 7.618 613 HB2 LEU 84 1HB LEU 84 -6.547 2.981 10.525 614 HB3 LEU 84 2HB LEU 84 -6.914 4.627 10.012 615 HG LEU 84 HG LEU 84 -8.592 2.205 9.359 616 HD11 LEU 84 1HD1 LEU 84 -9.463 2.377 11.386 617 HD12 LEU 84 2HD1 LEU 84 -9.955 4.030 11.018 618 HD13 LEU 84 3HD1 LEU 84 -8.388 3.723 11.766 619 HD21 LEU 84 1HD2 LEU 84 -8.847 5.138 8.793 620 HD22 LEU 84 2HD2 LEU 84 -10.266 4.094 8.878 621 HD23 LEU 84 3HD2 LEU 84 -9.005 3.775 7.686 622 H VAL 85 H VAL 85 -5.529 5.144 6.797 623 HA VAL 85 HA VAL 85 -2.868 5.557 7.950 624 HB VAL 85 HB VAL 85 -3.926 6.724 5.379 625 HG11 VAL 85 1HG1 VAL 85 -1.298 6.620 6.749 626 HG12 VAL 85 2HG1 VAL 85 -1.307 6.485 4.990 627 HG13 VAL 85 3HG1 VAL 85 -2.017 7.899 5.772 628 HG21 VAL 85 1HG2 VAL 85 -2.292 4.741 4.562 629 HG22 VAL 85 2HG2 VAL 85 -2.994 3.998 5.999 630 HG23 VAL 85 3HG2 VAL 85 -4.043 4.573 4.703 631 H SER 86 H SER 86 -2.698 7.105 9.423 632 HA SER 86 HA SER 86 -4.608 9.267 9.560 633 HB2 SER 86 1HB SER 86 -2.126 8.891 11.246 634 HB3 SER 86 2HB SER 86 -3.551 9.854 11.635 635 HG SER 86 HG SER 86 -4.327 8.119 12.505 636 H ILE 87 H ILE 87 -4.399 10.925 8.209 637 HA ILE 87 HA ILE 87 -1.693 11.979 7.700 638 HB ILE 87 HB ILE 87 -4.095 12.227 5.888 639 HG12 ILE 87 1HG1 ILE 87 -3.394 9.929 5.880 640 HG13 ILE 87 2HG1 ILE 87 -2.791 10.677 4.405 641 HG21 ILE 87 1HG2 ILE 87 -2.480 14.079 5.751 642 HG22 ILE 87 2HG2 ILE 87 -1.200 12.917 5.408 643 HG23 ILE 87 3HG2 ILE 87 -2.532 13.123 4.270 644 HD11 ILE 87 1HD1 ILE 87 -0.639 11.048 5.848 645 HD12 ILE 87 2HD1 ILE 87 -1.305 9.709 6.786 646 HD13 ILE 87 3HD1 ILE 87 -0.958 9.498 5.070 647 H LYS 88 H LYS 88 -1.368 13.767 8.840 648 HA LYS 88 HA LYS 88 -3.509 15.783 8.918 649 HB2 LYS 88 1HB LYS 88 -1.657 15.533 11.244 650 HB3 LYS 88 2HB LYS 88 -3.304 16.148 11.187 651 HG2 LYS 88 1HG LYS 88 -4.229 14.001 11.209 652 HG3 LYS 88 2HG LYS 88 -2.698 13.242 10.764 653 HD2 LYS 88 1HD LYS 88 -1.796 14.085 12.978 654 HD3 LYS 88 2HD LYS 88 -3.464 14.481 13.400 655 HE2 LYS 88 1HE LYS 88 -3.891 11.991 12.673 656 HE3 LYS 88 2HE LYS 88 -2.172 11.821 13.024 657 HZ1 LYS 88 1HZ LYS 88 -4.346 12.603 14.872 658 HZ2 LYS 88 2HZ LYS 88 -2.719 12.885 15.237 659 HZ3 LYS 88 3HZ LYS 88 -3.272 11.303 15.007 660 H LYS 89 H LYS 89 -2.558 17.959 9.696 661 HA LYS 89 HA LYS 89 0.116 18.340 8.522 662 HB2 LYS 89 1HB LYS 89 -1.564 19.122 6.934 663 HB3 LYS 89 2HB LYS 89 -2.300 20.125 8.177 664 HG2 LYS 89 1HG LYS 89 -0.205 21.423 8.319 665 HG3 LYS 89 2HG LYS 89 0.448 20.460 6.993 666 HD2 LYS 89 1HD LYS 89 -2.181 21.814 6.624 667 HD3 LYS 89 2HD LYS 89 -0.710 22.785 6.550 668 HE2 LYS 89 1HE LYS 89 0.062 20.820 4.951 669 HE3 LYS 89 2HE LYS 89 -1.678 20.645 4.726 670 HZ1 LYS 89 1HZ LYS 89 0.099 22.743 3.824 671 HZ2 LYS 89 2HZ LYS 89 -1.371 23.287 4.458 672 HZ3 LYS 89 3HZ LYS 89 -1.360 22.200 3.162 673 H ASN 90 H ASN 90 1.368 18.770 10.234 674 HA ASN 90 HA ASN 90 2.231 19.829 12.052 675 HB2 ASN 90 1HB ASN 90 0.188 21.972 11.429 676 HB3 ASN 90 2HB ASN 90 1.619 22.160 12.437 677 HD21 ASN 90 1HD2 ASN 90 0.418 22.881 9.534 678 HD22 ASN 90 2HD2 ASN 90 1.868 22.943 8.597 679 H GLY 91 H GLY 91 -0.091 18.014 12.283 680 HA2 GLY 91 1HA GLY 91 -0.966 17.147 14.302 681 HA3 GLY 91 2HA GLY 91 -0.804 18.740 15.028 682 H ASN 92 H ASN 92 -2.201 18.671 11.906 683 HA ASN 92 HA ASN 92 -4.910 18.758 13.051 684 HB2 ASN 92 1HB ASN 92 -3.597 20.751 11.216 685 HB3 ASN 92 2HB ASN 92 -5.348 20.578 11.272 686 HD21 ASN 92 1HD2 ASN 92 -2.564 20.992 13.424 687 HD22 ASN 92 2HD2 ASN 92 -3.358 22.060 14.527 688 H HIS 93 H HIS 93 -5.748 16.916 12.260 689 HA HIS 93 HA HIS 93 -5.155 15.457 10.074 690 HB2 HIS 93 1HB HIS 93 -7.708 15.958 11.518 691 HB3 HIS 93 2HB HIS 93 -7.805 15.113 9.975 692 HD1 HIS 93 1HD HIS 93 -6.864 12.724 9.871 693 HD2 HIS 93 2HD HIS 93 -6.460 14.527 13.593 694 HE1 HIS 93 1HE HIS 93 -6.214 10.875 11.447 695 HE2 HIS 93 2HE HIS 93 -6.058 11.974 13.707 696 H VAL 94 H VAL 94 -5.682 15.379 7.901 697 HA VAL 94 HA VAL 94 -6.640 17.923 6.769 698 HB VAL 94 HB VAL 94 -5.428 17.391 4.750 699 HG11 VAL 94 1HG1 VAL 94 -4.267 18.005 7.177 700 HG12 VAL 94 2HG1 VAL 94 -3.250 16.706 6.549 701 HG13 VAL 94 3HG1 VAL 94 -3.512 18.164 5.592 702 HG21 VAL 94 1HG2 VAL 94 -4.302 14.918 6.008 703 HG22 VAL 94 2HG2 VAL 94 -5.818 14.858 5.108 704 HG23 VAL 94 3HG2 VAL 94 -4.338 15.388 4.308 705 H ALA 95 H ALA 95 -7.420 17.396 4.337 706 HA ALA 95 HA ALA 95 -9.902 16.057 4.647 707 HB1 ALA 95 1HB ALA 95 -9.865 17.869 3.143 708 HB2 ALA 95 2HB ALA 95 -8.487 17.210 2.260 709 HB3 ALA 95 3HB ALA 95 -10.064 16.431 2.143 710 H ASN 96 H ASN 96 -10.669 14.181 3.591 711 HA ASN 96 HA ASN 96 -10.575 11.999 2.959 712 HB2 ASN 96 1HB ASN 96 -8.059 12.914 1.547 713 HB3 ASN 96 2HB ASN 96 -8.883 11.384 1.260 714 HD21 ASN 96 1HD2 ASN 96 -9.289 14.881 1.135 715 HD22 ASN 96 2HD2 ASN 96 -10.451 14.882 -0.144 716 H SER 97 H SER 97 -9.292 12.855 5.449 717 HA SER 97 HA SER 97 -7.512 10.538 5.798 718 HB2 SER 97 1HB SER 97 -6.073 12.490 5.736 719 HB3 SER 97 2HB SER 97 -7.090 13.321 6.912 720 HG SER 97 HG SER 97 -5.739 12.472 8.288 721 HA PRO 98 HA PRO 98 -6.423 9.605 7.499 722 HB2 PRO 98 1HB PRO 98 -7.012 7.093 8.343 723 HB3 PRO 98 2HB PRO 98 -6.467 8.370 9.436 724 HG2 PRO 98 1HG PRO 98 -9.246 7.391 8.904 725 HG3 PRO 98 2HG PRO 98 -8.480 7.801 10.450 726 HD2 PRO 98 1HD PRO 98 -10.166 9.488 9.167 727 HD3 PRO 98 2HD PRO 98 -8.809 10.063 10.158 728 H VAL 99 H VAL 99 -5.791 8.177 5.851 729 HA VAL 99 HA VAL 99 -7.826 7.715 3.836 730 HB VAL 99 HB VAL 99 -4.888 7.053 3.654 731 HG11 VAL 99 1HG1 VAL 99 -7.172 7.028 1.796 732 HG12 VAL 99 2HG1 VAL 99 -5.683 7.734 1.167 733 HG13 VAL 99 3HG1 VAL 99 -5.685 6.082 1.783 734 HG21 VAL 99 1HG2 VAL 99 -4.410 9.200 2.900 735 HG22 VAL 99 2HG2 VAL 99 -6.106 9.577 2.594 736 HG23 VAL 99 3HG2 VAL 99 -5.509 9.488 4.250 737 H SER 100 H SER 100 -8.919 5.880 3.707 738 HA SER 100 HA SER 100 -8.082 3.539 5.163 739 HB2 SER 100 1HB SER 100 -10.374 3.693 5.267 740 HB3 SER 100 2HB SER 100 -10.511 4.362 3.641 741 HG SER 100 HG SER 100 -9.864 1.667 4.262 742 H ILE 101 H ILE 101 -7.217 1.696 4.375 743 HA ILE 101 HA ILE 101 -6.937 1.420 1.463 744 HB ILE 101 HB ILE 101 -4.717 0.993 3.467 745 HG12 ILE 101 1HG1 ILE 101 -4.806 2.942 1.164 746 HG13 ILE 101 2HG1 ILE 101 -5.303 3.377 2.795 747 HG21 ILE 101 1HG2 ILE 101 -3.624 0.879 0.946 748 HG22 ILE 101 2HG2 ILE 101 -3.973 -0.501 1.986 749 HG23 ILE 101 3HG2 ILE 101 -5.142 0.000 0.765 750 HD11 ILE 101 1HD1 ILE 101 -2.572 2.389 2.011 751 HD12 ILE 101 2HD1 ILE 101 -3.014 4.069 2.314 752 HD13 ILE 101 3HD1 ILE 101 -3.078 2.890 3.624 753 H MET 102 H MET 102 -6.965 -0.665 0.676 754 HA MET 102 HA MET 102 -7.751 -2.721 2.623 755 HB2 MET 102 1HB MET 102 -9.326 -2.079 0.744 756 HB3 MET 102 2HB MET 102 -8.168 -2.802 -0.365 757 HG2 MET 102 1HG MET 102 -9.549 -4.571 -0.069 758 HG3 MET 102 2HG MET 102 -8.430 -4.861 1.260 759 HE1 MET 102 1HE MET 102 -10.194 -4.948 4.249 760 HE2 MET 102 2HE MET 102 -10.578 -6.253 3.127 761 HE3 MET 102 3HE MET 102 -8.966 -5.533 3.125 762 H VAL 103 H VAL 103 -6.432 -4.371 3.015 763 HA VAL 103 HA VAL 103 -4.262 -4.913 1.093 764 HB VAL 103 HB VAL 103 -4.177 -5.331 4.085 765 HG11 VAL 103 1HG1 VAL 103 -1.815 -5.797 3.744 766 HG12 VAL 103 2HG1 VAL 103 -2.806 -6.912 2.801 767 HG13 VAL 103 3HG1 VAL 103 -2.001 -5.557 2.007 768 HG21 VAL 103 1HG2 VAL 103 -2.551 -3.311 2.586 769 HG22 VAL 103 2HG2 VAL 103 -4.179 -2.921 3.143 770 HG23 VAL 103 3HG2 VAL 103 -2.936 -3.379 4.307 771 H VAL 104 H VAL 104 -4.239 -6.873 0.216 772 HA VAL 104 HA VAL 104 -5.621 -9.065 1.618 773 HB VAL 104 HB VAL 104 -6.321 -9.963 -0.571 774 HG11 VAL 104 1HG1 VAL 104 -7.953 -8.718 0.631 775 HG12 VAL 104 2HG1 VAL 104 -7.243 -7.182 0.128 776 HG13 VAL 104 3HG1 VAL 104 -8.053 -8.210 -1.055 777 HG21 VAL 104 1HG2 VAL 104 -5.875 -8.984 -2.580 778 HG22 VAL 104 2HG2 VAL 104 -5.781 -7.360 -1.896 779 HG23 VAL 104 3HG2 VAL 104 -4.433 -8.480 -1.700 780 H GLN 105 H GLN 105 -4.810 -11.180 1.227 781 HA GLN 105 HA GLN 105 -1.950 -11.218 0.804 782 HB2 GLN 105 1HB GLN 105 -3.891 -13.420 1.526 783 HB3 GLN 105 2HB GLN 105 -2.144 -13.612 1.448 784 HG2 GLN 105 1HG GLN 105 -2.117 -11.651 3.148 785 HG3 GLN 105 2HG GLN 105 -3.797 -12.110 3.426 786 HE21 GLN 105 1HE2 GLN 105 -0.507 -13.389 3.356 787 HE22 GLN 105 2HE2 GLN 105 -0.760 -14.598 4.563 788 H SER 106 H SER 106 -1.718 -10.800 -1.402 789 HA SER 106 HA SER 106 -3.054 -11.913 -3.523 790 HB2 SER 106 1HB SER 106 -0.102 -11.266 -3.340 791 HB3 SER 106 2HB SER 106 -0.981 -11.542 -4.845 792 HG SER 106 HG SER 106 -1.107 -9.404 -4.633 793 H GLU 107 H GLU 107 -3.432 -13.949 -4.062 794 HA GLU 107 HA GLU 107 -2.181 -16.169 -2.908 795 HB2 GLU 107 1HB GLU 107 -3.975 -15.771 -5.268 796 HB3 GLU 107 2HB GLU 107 -3.213 -17.337 -5.029 797 HG2 GLU 107 1HG GLU 107 -5.531 -17.063 -4.084 798 HG3 GLU 107 2HG GLU 107 -4.303 -17.675 -2.976 799 H ILE 108 H ILE 108 -0.828 -17.786 -3.874 800 HA ILE 108 HA ILE 108 1.345 -16.631 -5.370 801 HB ILE 108 HB ILE 108 0.932 -19.476 -4.443 802 HG12 ILE 108 1HG1 ILE 108 2.724 -17.364 -3.243 803 HG13 ILE 108 2HG1 ILE 108 1.084 -17.654 -2.675 804 HG21 ILE 108 1HG2 ILE 108 3.345 -18.077 -5.581 805 HG22 ILE 108 2HG2 ILE 108 3.401 -19.641 -4.770 806 HG23 ILE 108 3HG2 ILE 108 2.481 -19.455 -6.264 807 HD11 ILE 108 1HD1 ILE 108 2.549 -20.119 -2.803 808 HD12 ILE 108 2HD1 ILE 108 3.417 -18.921 -1.842 809 HD13 ILE 108 3HD1 ILE 108 1.757 -19.349 -1.429 810 H GLY 109 H GLY 109 -0.629 -19.565 -5.899 811 HA2 GLY 109 1HA GLY 109 -1.675 -19.258 -8.315 812 HA3 GLY 109 2HA GLY 109 0.020 -19.458 -8.742 813 H ASP 110 H ASP 110 0.775 -21.377 -6.871 814 HA ASP 110 HA ASP 110 -0.564 -23.715 -7.993 815 HB2 ASP 110 1HB ASP 110 1.910 -23.672 -6.262 816 HB3 ASP 110 2HB ASP 110 1.352 -24.975 -7.308 817 H SER 111 H SER 111 -0.940 -25.599 -6.550 818 HA SER 111 HA SER 111 -1.821 -24.729 -3.875 819 HB2 SER 111 1HB SER 111 -3.580 -25.306 -5.773 820 HB3 SER 111 2HB SER 111 -3.231 -26.962 -5.275 821 HG SER 111 HG SER 111 -3.579 -25.853 -3.041 822 H GLY 112 H GLY 112 -1.641 -26.222 -2.181 823 HA2 GLY 112 1HA GLY 112 -1.156 -28.749 -1.858 824 HA3 GLY 112 2HA GLY 112 0.330 -28.341 -2.702 825 HA PRO 113 HA PRO 113 0.721 -27.738 1.970 826 HB2 PRO 113 1HB PRO 113 2.524 -29.719 2.413 827 HB3 PRO 113 2HB PRO 113 0.777 -29.974 2.497 828 HG2 PRO 113 1HG PRO 113 2.675 -30.587 0.264 829 HG3 PRO 113 2HG PRO 113 1.343 -31.569 0.901 830 HD2 PRO 113 1HD PRO 113 1.116 -30.096 -1.360 831 HD3 PRO 113 2HD PRO 113 -0.253 -30.386 -0.267 832 H SER 114 H SER 114 2.122 -26.198 2.517 833 HA SER 114 HA SER 114 4.905 -26.335 2.009 834 HB2 SER 114 1HB SER 114 5.018 -24.276 0.543 835 HB3 SER 114 2HB SER 114 4.397 -25.724 -0.250 836 HG SER 114 HG SER 114 3.236 -23.409 -0.153 837 H SER 115 H SER 115 5.907 -25.202 3.544 838 HA SER 115 HA SER 115 4.901 -22.686 4.506 839 HB2 SER 115 1HB SER 115 3.609 -24.591 5.724 840 HB3 SER 115 2HB SER 115 5.120 -24.831 6.600 841 HG SER 115 HG SER 115 3.815 -22.324 6.395 842 H GLY 116 H GLY 116 6.413 -21.546 5.758 843 HA2 GLY 116 1HA GLY 116 8.515 -21.815 7.127 844 HA3 GLY 116 2HA GLY 116 9.101 -22.770 5.772 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -11.511 -31.838 4.560 2 HA2 GLY 1 1HA GLY 1 -10.382 -29.576 5.662 3 HA3 GLY 1 2HA GLY 1 -9.454 -30.902 4.978 4 H SER 2 H SER 2 -9.658 -27.708 4.904 5 HA SER 2 HA SER 2 -9.485 -27.313 2.030 6 HB2 SER 2 1HB SER 2 -9.195 -24.914 2.633 7 HB3 SER 2 2HB SER 2 -10.657 -25.620 3.321 8 HG SER 2 HG SER 2 -8.431 -24.615 4.571 9 H SER 3 H SER 3 -7.389 -26.951 4.876 10 HA SER 3 HA SER 3 -5.072 -26.690 3.094 11 HB2 SER 3 1HB SER 3 -3.865 -25.829 5.010 12 HB3 SER 3 2HB SER 3 -5.399 -24.970 4.875 13 HG SER 3 HG SER 3 -6.122 -25.938 6.648 14 H GLY 4 H GLY 4 -3.111 -27.883 3.620 15 HA2 GLY 4 1HA GLY 4 -2.031 -29.681 4.819 16 HA3 GLY 4 2HA GLY 4 -3.617 -30.390 5.086 17 H SER 5 H SER 5 -1.021 -29.927 2.803 18 HA SER 5 HA SER 5 -2.116 -32.138 1.206 19 HB2 SER 5 1HB SER 5 -2.595 -30.224 -0.132 20 HB3 SER 5 2HB SER 5 -1.009 -29.521 0.184 21 HG SER 5 HG SER 5 -1.124 -30.502 -1.884 22 H SER 6 H SER 6 -0.709 -33.729 0.835 23 HA SER 6 HA SER 6 1.978 -33.490 1.865 24 HB2 SER 6 1HB SER 6 0.555 -35.819 0.554 25 HB3 SER 6 2HB SER 6 2.145 -35.902 1.311 26 HG SER 6 HG SER 6 -0.064 -34.929 2.756 27 H GLY 7 H GLY 7 0.530 -34.326 -1.286 28 HA2 GLY 7 1HA GLY 7 3.135 -33.912 -2.561 29 HA3 GLY 7 2HA GLY 7 1.723 -34.647 -3.306 30 H ILE 8 H ILE 8 3.647 -32.128 -3.636 31 HA ILE 8 HA ILE 8 2.450 -29.749 -3.614 32 HB ILE 8 HB ILE 8 3.529 -29.146 -5.713 33 HG12 ILE 8 1HG1 ILE 8 2.910 -31.161 -6.997 34 HG13 ILE 8 2HG1 ILE 8 4.634 -30.819 -7.108 35 HG21 ILE 8 1HG2 ILE 8 5.745 -30.702 -4.961 36 HG22 ILE 8 2HG2 ILE 8 5.367 -29.052 -4.472 37 HG23 ILE 8 3HG2 ILE 8 4.816 -30.410 -3.491 38 HD11 ILE 8 1HD1 ILE 8 4.624 -33.086 -6.784 39 HD12 ILE 8 2HD1 ILE 8 4.803 -32.503 -5.129 40 HD13 ILE 8 3HD1 ILE 8 3.226 -33.037 -5.710 41 HA PRO 9 HA PRO 9 -1.386 -29.851 -5.757 42 HB2 PRO 9 1HB PRO 9 -1.555 -27.260 -6.551 43 HB3 PRO 9 2HB PRO 9 -1.777 -27.768 -4.872 44 HG2 PRO 9 1HG PRO 9 0.644 -26.606 -6.194 45 HG3 PRO 9 2HG PRO 9 -0.050 -26.233 -4.606 46 HD2 PRO 9 1HD PRO 9 2.094 -27.857 -4.913 47 HD3 PRO 9 2HD PRO 9 0.905 -28.081 -3.614 48 H GLY 10 H GLY 10 -2.390 -29.210 -7.894 49 HA2 GLY 10 1HA GLY 10 -0.670 -28.682 -10.121 50 HA3 GLY 10 2HA GLY 10 -1.111 -30.380 -10.025 51 H SER 11 H SER 11 -3.016 -27.474 -9.295 52 HA SER 11 HA SER 11 -4.854 -28.240 -11.466 53 HB2 SER 11 1HB SER 11 -5.649 -28.770 -9.077 54 HB3 SER 11 2HB SER 11 -5.802 -27.025 -8.875 55 HG SER 11 HG SER 11 -7.157 -27.102 -10.804 56 HA PRO 12 HA PRO 12 -3.560 -23.918 -12.239 57 HB2 PRO 12 1HB PRO 12 -3.779 -24.122 -14.938 58 HB3 PRO 12 2HB PRO 12 -2.341 -24.636 -14.050 59 HG2 PRO 12 1HG PRO 12 -4.613 -26.283 -15.092 60 HG3 PRO 12 2HG PRO 12 -2.873 -26.619 -15.143 61 HD2 PRO 12 1HD PRO 12 -4.523 -27.752 -13.319 62 HD3 PRO 12 2HD PRO 12 -2.826 -27.369 -12.964 63 H PHE 13 H PHE 13 -6.341 -25.790 -13.174 64 HA PHE 13 HA PHE 13 -7.832 -23.501 -14.123 65 HB2 PHE 13 1HB PHE 13 -8.137 -25.784 -15.084 66 HB3 PHE 13 2HB PHE 13 -8.817 -26.301 -13.545 67 HD1 PHE 13 1HD PHE 13 -9.296 -23.811 -16.263 68 HD2 PHE 13 2HD PHE 13 -11.090 -26.104 -13.158 69 HE1 PHE 13 1HE PHE 13 -11.521 -23.064 -17.001 70 HE2 PHE 13 2HE PHE 13 -13.317 -25.360 -13.892 71 HZ PHE 13 HZ PHE 13 -13.536 -23.839 -15.816 72 H THR 14 H THR 14 -7.506 -22.312 -12.074 73 HA THR 14 HA THR 14 -9.608 -23.020 -10.135 74 HB THR 14 HB THR 14 -8.249 -22.143 -8.314 75 HG1 THR 14 1HG THR 14 -6.959 -20.648 -9.385 76 HG21 THR 14 1HG2 THR 14 -6.983 -24.278 -10.016 77 HG22 THR 14 2HG2 THR 14 -7.992 -24.472 -8.581 78 HG23 THR 14 3HG2 THR 14 -6.351 -23.845 -8.429 79 H ALA 15 H ALA 15 -9.844 -20.930 -8.599 80 HA ALA 15 HA ALA 15 -9.608 -18.413 -9.942 81 HB1 ALA 15 1HB ALA 15 -11.879 -17.941 -10.385 82 HB2 ALA 15 2HB ALA 15 -11.568 -19.531 -11.083 83 HB3 ALA 15 3HB ALA 15 -12.422 -19.395 -9.546 84 H LYS 16 H LYS 16 -9.973 -16.672 -8.582 85 HA LYS 16 HA LYS 16 -10.698 -17.350 -5.806 86 HB2 LYS 16 1HB LYS 16 -9.045 -15.867 -4.979 87 HB3 LYS 16 2HB LYS 16 -8.251 -16.831 -6.217 88 HG2 LYS 16 1HG LYS 16 -9.441 -14.242 -7.039 89 HG3 LYS 16 2HG LYS 16 -7.964 -14.207 -6.074 90 HD2 LYS 16 1HD LYS 16 -6.884 -15.695 -7.710 91 HD3 LYS 16 2HD LYS 16 -8.356 -15.674 -8.684 92 HE2 LYS 16 1HE LYS 16 -8.127 -13.206 -8.869 93 HE3 LYS 16 2HE LYS 16 -6.586 -13.323 -8.021 94 HZ1 LYS 16 1HZ LYS 16 -7.124 -14.829 -10.510 95 HZ2 LYS 16 2HZ LYS 16 -5.631 -14.498 -9.788 96 HZ3 LYS 16 3HZ LYS 16 -6.504 -13.255 -10.532 97 H ILE 17 H ILE 17 -11.277 -15.384 -8.526 98 HA ILE 17 HA ILE 17 -12.281 -13.047 -7.357 99 HB ILE 17 HB ILE 17 -13.555 -12.734 -9.442 100 HG12 ILE 17 1HG1 ILE 17 -12.480 -15.427 -10.285 101 HG13 ILE 17 2HG1 ILE 17 -14.117 -15.190 -9.683 102 HG21 ILE 17 1HG2 ILE 17 -11.419 -11.927 -9.691 103 HG22 ILE 17 2HG2 ILE 17 -10.680 -13.514 -9.486 104 HG23 ILE 17 3HG2 ILE 17 -11.485 -13.106 -11.001 105 HD11 ILE 17 1HD1 ILE 17 -13.563 -13.312 -11.770 106 HD12 ILE 17 2HD1 ILE 17 -13.206 -14.952 -12.312 107 HD13 ILE 17 3HD1 ILE 17 -14.806 -14.559 -11.683 108 H THR 18 H THR 18 -14.366 -12.390 -6.809 109 HA THR 18 HA THR 18 -16.213 -14.596 -6.182 110 HB THR 18 HB THR 18 -17.163 -13.113 -4.447 111 HG1 THR 18 1HG THR 18 -15.937 -11.198 -3.938 112 HG21 THR 18 1HG2 THR 18 -15.369 -14.713 -3.888 113 HG22 THR 18 2HG2 THR 18 -15.320 -13.273 -2.870 114 HG23 THR 18 3HG2 THR 18 -14.173 -13.454 -4.198 115 H ASP 19 H ASP 19 -18.508 -14.151 -6.324 116 HA ASP 19 HA ASP 19 -19.290 -13.086 -8.777 117 HB2 ASP 19 1HB ASP 19 -20.844 -13.725 -6.274 118 HB3 ASP 19 2HB ASP 19 -21.629 -13.129 -7.735 119 H ASP 20 H ASP 20 -19.424 -11.655 -5.537 120 HA ASP 20 HA ASP 20 -20.788 -9.321 -6.088 121 HB2 ASP 20 1HB ASP 20 -18.389 -9.320 -4.275 122 HB3 ASP 20 2HB ASP 20 -19.911 -8.455 -4.090 123 H SER 21 H SER 21 -17.259 -9.805 -6.223 124 HA SER 21 HA SER 21 -15.606 -8.668 -7.298 125 HB2 SER 21 1HB SER 21 -17.901 -8.224 -9.213 126 HB3 SER 21 2HB SER 21 -16.249 -7.711 -9.562 127 HG SER 21 HG SER 21 -17.146 -9.975 -10.173 128 H ARG 22 H ARG 22 -16.682 -7.285 -5.189 129 HA ARG 22 HA ARG 22 -17.401 -4.612 -5.927 130 HB2 ARG 22 1HB ARG 22 -16.566 -5.811 -3.282 131 HB3 ARG 22 2HB ARG 22 -17.113 -4.152 -3.485 132 HG2 ARG 22 1HG ARG 22 -19.214 -5.258 -4.546 133 HG3 ARG 22 2HG ARG 22 -18.662 -6.692 -3.678 134 HD2 ARG 22 1HD ARG 22 -20.214 -5.535 -2.278 135 HD3 ARG 22 2HD ARG 22 -18.603 -5.320 -1.597 136 HE ARG 22 HE ARG 22 -18.854 -3.116 -3.086 137 HH11 ARG 22 1HH1 ARG 22 -21.019 -4.615 -0.809 138 HH12 ARG 22 2HH1 ARG 22 -21.754 -3.122 -0.327 139 HH21 ARG 22 1HH2 ARG 22 -19.815 -1.144 -2.461 140 HH22 ARG 22 2HH2 ARG 22 -21.070 -1.148 -1.269 141 H ARG 23 H ARG 23 -16.164 -2.765 -5.887 142 HA ARG 23 HA ARG 23 -13.611 -2.759 -6.794 143 HB2 ARG 23 1HB ARG 23 -15.109 -0.773 -5.119 144 HB3 ARG 23 2HB ARG 23 -13.433 -0.469 -5.555 145 HG2 ARG 23 1HG ARG 23 -14.699 0.638 -7.179 146 HG3 ARG 23 2HG ARG 23 -14.155 -0.847 -7.962 147 HD2 ARG 23 1HD ARG 23 -16.777 -0.853 -6.554 148 HD3 ARG 23 2HD ARG 23 -16.663 -0.048 -8.118 149 HE ARG 23 HE ARG 23 -16.807 -2.821 -7.686 150 HH11 ARG 23 1HH1 ARG 23 -15.096 -0.484 -9.618 151 HH12 ARG 23 2HH1 ARG 23 -14.826 -1.578 -10.935 152 HH21 ARG 23 1HH2 ARG 23 -16.457 -4.270 -9.414 153 HH22 ARG 23 2HH2 ARG 23 -15.601 -3.729 -10.818 154 H CYS 24 H CYS 24 -11.769 -3.543 -6.035 155 HA CYS 24 HA CYS 24 -11.075 -3.161 -3.231 156 HB2 CYS 24 1HB CYS 24 -10.500 -5.474 -2.858 157 HB3 CYS 24 2HB CYS 24 -12.175 -5.393 -3.387 158 HG CYS 24 HG CYS 24 -11.562 -6.151 -6.039 159 H SER 25 H SER 25 -8.816 -3.380 -2.799 160 HA SER 25 HA SER 25 -7.166 -3.092 -5.222 161 HB2 SER 25 1HB SER 25 -6.690 -1.973 -2.449 162 HB3 SER 25 2HB SER 25 -5.630 -1.747 -3.840 163 HG SER 25 HG SER 25 -7.945 -0.460 -3.185 164 H GLN 26 H GLN 26 -5.264 -4.219 -5.417 165 HA GLN 26 HA GLN 26 -4.880 -6.386 -3.467 166 HB2 GLN 26 1HB GLN 26 -5.331 -6.753 -6.029 167 HB3 GLN 26 2HB GLN 26 -3.618 -6.389 -6.181 168 HG2 GLN 26 1HG GLN 26 -2.970 -8.302 -5.109 169 HG3 GLN 26 2HG GLN 26 -4.470 -8.427 -4.192 170 HE21 GLN 26 1HE2 GLN 26 -3.313 -10.579 -5.515 171 HE22 GLN 26 2HE2 GLN 26 -4.352 -11.062 -6.808 172 H VAL 27 H VAL 27 -3.099 -6.441 -2.261 173 HA VAL 27 HA VAL 27 -0.756 -4.883 -3.124 174 HB VAL 27 HB VAL 27 -1.375 -5.054 -0.212 175 HG11 VAL 27 1HG1 VAL 27 0.654 -3.956 -1.659 176 HG12 VAL 27 2HG1 VAL 27 -0.401 -2.564 -1.411 177 HG13 VAL 27 3HG1 VAL 27 0.204 -3.472 -0.025 178 HG21 VAL 27 1HG2 VAL 27 -2.706 -3.011 -0.306 179 HG22 VAL 27 2HG2 VAL 27 -2.627 -3.028 -2.068 180 HG23 VAL 27 3HG2 VAL 27 -3.484 -4.310 -1.212 181 H LYS 28 H LYS 28 1.267 -5.644 -2.382 182 HA LYS 28 HA LYS 28 1.297 -8.510 -1.893 183 HB2 LYS 28 1HB LYS 28 3.668 -6.683 -2.283 184 HB3 LYS 28 2HB LYS 28 3.622 -8.432 -2.465 185 HG2 LYS 28 1HG LYS 28 2.184 -6.449 -4.218 186 HG3 LYS 28 2HG LYS 28 3.682 -7.292 -4.622 187 HD2 LYS 28 1HD LYS 28 2.258 -9.430 -4.101 188 HD3 LYS 28 2HD LYS 28 0.896 -8.351 -4.416 189 HE2 LYS 28 1HE LYS 28 1.495 -9.496 -6.450 190 HE3 LYS 28 2HE LYS 28 1.900 -7.787 -6.604 191 HZ1 LYS 28 1HZ LYS 28 3.592 -10.030 -6.841 192 HZ2 LYS 28 2HZ LYS 28 4.140 -9.056 -5.571 193 HZ3 LYS 28 3HZ LYS 28 3.949 -8.400 -7.119 194 H LEU 29 H LEU 29 1.147 -9.156 0.154 195 HA LEU 29 HA LEU 29 1.770 -7.563 2.397 196 HB2 LEU 29 1HB LEU 29 0.245 -9.641 2.180 197 HB3 LEU 29 2HB LEU 29 1.722 -10.557 2.475 198 HG LEU 29 HG LEU 29 1.974 -9.404 4.640 199 HD11 LEU 29 1HD1 LEU 29 0.946 -7.353 4.502 200 HD12 LEU 29 2HD1 LEU 29 -0.250 -8.276 5.411 201 HD13 LEU 29 3HD1 LEU 29 -0.477 -7.998 3.685 202 HD21 LEU 29 1HD2 LEU 29 -0.154 -10.413 5.676 203 HD22 LEU 29 2HD2 LEU 29 0.959 -11.491 4.833 204 HD23 LEU 29 3HD2 LEU 29 -0.521 -10.953 4.038 205 H GLY 30 H GLY 30 3.647 -7.139 3.359 206 HA2 GLY 30 1HA GLY 30 5.779 -7.565 4.210 207 HA3 GLY 30 2HA GLY 30 5.809 -9.076 3.312 208 H SER 31 H SER 31 4.956 -6.133 1.691 209 HA SER 31 HA SER 31 7.656 -5.688 0.717 210 HB2 SER 31 1HB SER 31 5.406 -6.454 -1.159 211 HB3 SER 31 2HB SER 31 7.008 -5.906 -1.653 212 HG SER 31 HG SER 31 6.192 -8.369 -0.834 213 H ALA 32 H ALA 32 8.012 -3.592 0.301 214 HA ALA 32 HA ALA 32 6.140 -1.627 0.975 215 HB1 ALA 32 1HB ALA 32 7.925 -0.276 -0.590 216 HB2 ALA 32 2HB ALA 32 8.144 -0.641 1.122 217 HB3 ALA 32 3HB ALA 32 8.858 -1.691 -0.102 218 H ALA 33 H ALA 33 4.333 -1.153 -0.082 219 HA ALA 33 HA ALA 33 4.396 -1.127 -3.030 220 HB1 ALA 33 1HB ALA 33 2.732 -2.625 -1.323 221 HB2 ALA 33 2HB ALA 33 1.723 -1.370 -2.047 222 HB3 ALA 33 3HB ALA 33 2.635 -2.473 -3.077 223 H ASP 34 H ASP 34 3.606 0.639 -4.071 224 HA ASP 34 HA ASP 34 3.252 3.035 -2.518 225 HB2 ASP 34 1HB ASP 34 4.492 3.080 -4.637 226 HB3 ASP 34 2HB ASP 34 3.041 2.585 -5.504 227 H PHE 35 H PHE 35 1.420 4.400 -2.540 228 HA PHE 35 HA PHE 35 -1.088 3.180 -3.448 229 HB2 PHE 35 1HB PHE 35 -0.553 4.288 -0.688 230 HB3 PHE 35 2HB PHE 35 -2.163 3.937 -1.307 231 HD1 PHE 35 1HD PHE 35 1.075 2.436 -0.374 232 HD2 PHE 35 2HD PHE 35 -3.012 1.735 -1.336 233 HE1 PHE 35 1HE PHE 35 1.300 0.104 0.378 234 HE2 PHE 35 2HE PHE 35 -2.794 -0.597 -0.584 235 HZ PHE 35 HZ PHE 35 -0.635 -1.415 0.275 236 H LEU 36 H LEU 36 -2.329 4.557 -4.543 237 HA LEU 36 HA LEU 36 -1.578 7.377 -4.586 238 HB2 LEU 36 1HB LEU 36 -2.036 5.793 -6.629 239 HB3 LEU 36 2HB LEU 36 -3.717 6.218 -6.311 240 HG LEU 36 HG LEU 36 -2.958 8.650 -6.503 241 HD11 LEU 36 1HD1 LEU 36 -0.938 8.770 -8.116 242 HD12 LEU 36 2HD1 LEU 36 -0.513 7.202 -7.431 243 HD13 LEU 36 3HD1 LEU 36 -0.649 8.614 -6.383 244 HD21 LEU 36 1HD2 LEU 36 -3.325 8.664 -8.835 245 HD22 LEU 36 2HD2 LEU 36 -4.234 7.288 -8.209 246 HD23 LEU 36 3HD2 LEU 36 -2.690 7.029 -9.022 247 H LEU 37 H LEU 37 -2.531 8.588 -3.080 248 HA LEU 37 HA LEU 37 -5.361 8.091 -2.450 249 HB2 LEU 37 1HB LEU 37 -5.015 9.019 -0.336 250 HB3 LEU 37 2HB LEU 37 -3.589 8.026 -0.630 251 HG LEU 37 HG LEU 37 -3.690 11.023 -0.957 252 HD11 LEU 37 1HD1 LEU 37 -2.640 9.329 1.302 253 HD12 LEU 37 2HD1 LEU 37 -3.978 10.474 1.369 254 HD13 LEU 37 3HD1 LEU 37 -2.334 11.055 1.110 255 HD21 LEU 37 1HD2 LEU 37 -1.553 8.951 -1.262 256 HD22 LEU 37 2HD2 LEU 37 -1.141 10.600 -0.796 257 HD23 LEU 37 3HD2 LEU 37 -1.966 10.295 -2.326 258 H ASP 38 H ASP 38 -6.863 9.570 -2.929 259 HA ASP 38 HA ASP 38 -6.179 11.821 -4.543 260 HB2 ASP 38 1HB ASP 38 -8.269 10.581 -4.882 261 HB3 ASP 38 2HB ASP 38 -8.823 11.061 -3.280 262 H ILE 39 H ILE 39 -5.018 13.358 -3.494 263 HA ILE 39 HA ILE 39 -6.382 14.738 -1.286 264 HB ILE 39 HB ILE 39 -4.143 15.198 -0.267 265 HG12 ILE 39 1HG1 ILE 39 -3.054 12.832 -1.726 266 HG13 ILE 39 2HG1 ILE 39 -3.040 14.392 -2.542 267 HG21 ILE 39 1HG2 ILE 39 -5.360 12.477 -0.394 268 HG22 ILE 39 2HG2 ILE 39 -3.881 12.723 0.533 269 HG23 ILE 39 3HG2 ILE 39 -5.335 13.638 0.934 270 HD11 ILE 39 1HD1 ILE 39 -2.014 15.009 -0.087 271 HD12 ILE 39 2HD1 ILE 39 -1.371 13.392 -0.378 272 HD13 ILE 39 3HD1 ILE 39 -1.074 14.682 -1.543 273 H SER 40 H SER 40 -5.902 16.979 -1.091 274 HA SER 40 HA SER 40 -4.952 18.161 -3.612 275 HB2 SER 40 1HB SER 40 -6.877 19.173 -1.516 276 HB3 SER 40 2HB SER 40 -6.223 20.207 -2.787 277 HG SER 40 HG SER 40 -8.201 19.335 -3.437 278 H GLU 41 H GLU 41 -3.171 17.280 -1.514 279 HA GLU 41 HA GLU 41 -2.042 19.879 -0.701 280 HB2 GLU 41 1HB GLU 41 -1.868 17.219 0.724 281 HB3 GLU 41 2HB GLU 41 -0.988 18.664 1.199 282 HG2 GLU 41 1HG GLU 41 -3.100 18.152 2.480 283 HG3 GLU 41 2HG GLU 41 -2.947 19.785 1.833 284 H THR 42 H THR 42 -0.091 20.356 -1.468 285 HA THR 42 HA THR 42 1.332 18.343 -3.023 286 HB THR 42 HB THR 42 0.964 20.543 -4.049 287 HG1 THR 42 1HG THR 42 3.549 19.579 -3.528 288 HG21 THR 42 1HG2 THR 42 1.716 22.546 -3.179 289 HG22 THR 42 2HG2 THR 42 2.940 21.772 -2.174 290 HG23 THR 42 3HG2 THR 42 1.241 21.692 -1.712 291 H ASP 43 H ASP 43 1.910 20.550 -0.308 292 HA ASP 43 HA ASP 43 4.595 19.924 0.146 293 HB2 ASP 43 1HB ASP 43 2.579 20.618 2.286 294 HB3 ASP 43 2HB ASP 43 4.316 20.903 2.320 295 H LEU 44 H LEU 44 5.627 18.278 1.120 296 HA LEU 44 HA LEU 44 3.984 16.034 2.053 297 HB2 LEU 44 1HB LEU 44 6.668 16.280 0.807 298 HB3 LEU 44 2HB LEU 44 6.399 14.942 1.923 299 HG LEU 44 HG LEU 44 4.283 14.560 0.371 300 HD11 LEU 44 1HD1 LEU 44 5.914 16.480 -1.084 301 HD12 LEU 44 2HD1 LEU 44 4.252 15.964 -1.359 302 HD13 LEU 44 3HD1 LEU 44 5.588 15.010 -2.003 303 HD21 LEU 44 1HD2 LEU 44 6.615 13.570 -1.033 304 HD22 LEU 44 2HD2 LEU 44 5.379 12.689 -0.135 305 HD23 LEU 44 3HD2 LEU 44 6.764 13.376 0.714 306 H SER 45 H SER 45 7.064 17.631 2.883 307 HA SER 45 HA SER 45 7.483 16.483 5.354 308 HB2 SER 45 1HB SER 45 8.965 18.132 4.022 309 HB3 SER 45 2HB SER 45 8.076 19.395 4.875 310 HG SER 45 HG SER 45 9.802 18.963 6.145 311 H SER 46 H SER 46 5.682 19.464 4.636 312 HA SER 46 HA SER 46 4.971 20.115 7.253 313 HB2 SER 46 1HB SER 46 3.383 20.619 4.724 314 HB3 SER 46 2HB SER 46 3.180 21.466 6.257 315 HG SER 46 HG SER 46 5.581 21.903 5.913 316 H LEU 47 H LEU 47 3.919 17.545 5.277 317 HA LEU 47 HA LEU 47 1.472 17.141 6.833 318 HB2 LEU 47 1HB LEU 47 2.538 15.717 4.399 319 HB3 LEU 47 2HB LEU 47 1.019 15.331 5.206 320 HG LEU 47 HG LEU 47 1.669 17.923 3.802 321 HD11 LEU 47 1HD1 LEU 47 1.338 15.951 2.324 322 HD12 LEU 47 2HD1 LEU 47 0.125 17.214 2.117 323 HD13 LEU 47 3HD1 LEU 47 -0.269 15.753 3.023 324 HD21 LEU 47 1HD2 LEU 47 -0.400 17.170 5.703 325 HD22 LEU 47 2HD2 LEU 47 -1.056 17.764 4.177 326 HD23 LEU 47 3HD2 LEU 47 0.064 18.763 5.104 327 H THR 48 H THR 48 1.011 14.816 7.453 328 HA THR 48 HA THR 48 3.463 13.551 8.492 329 HB THR 48 HB THR 48 0.830 13.261 9.895 330 HG1 THR 48 1HG THR 48 1.004 15.442 9.963 331 HG21 THR 48 1HG2 THR 48 2.665 13.316 11.822 332 HG22 THR 48 2HG2 THR 48 3.706 12.817 10.488 333 HG23 THR 48 3HG2 THR 48 2.299 11.846 10.920 334 H ALA 49 H ALA 49 3.314 11.228 8.861 335 HA ALA 49 HA ALA 49 1.219 9.859 7.340 336 HB1 ALA 49 1HB ALA 49 3.771 8.609 6.849 337 HB2 ALA 49 2HB ALA 49 2.548 9.158 5.702 338 HB3 ALA 49 3HB ALA 49 3.767 10.285 6.297 339 H SER 50 H SER 50 0.380 8.318 8.567 340 HA SER 50 HA SER 50 2.106 6.625 10.183 341 HB2 SER 50 1HB SER 50 0.038 8.480 11.319 342 HB3 SER 50 2HB SER 50 0.385 6.948 12.121 343 HG SER 50 HG SER 50 2.708 7.809 11.797 344 H ILE 51 H ILE 51 1.393 4.571 10.278 345 HA ILE 51 HA ILE 51 -1.386 4.025 9.479 346 HB ILE 51 HB ILE 51 1.072 2.587 8.476 347 HG12 ILE 51 1HG1 ILE 51 -1.074 4.173 7.048 348 HG13 ILE 51 2HG1 ILE 51 0.593 4.680 7.300 349 HG21 ILE 51 1HG2 ILE 51 -1.567 1.603 8.902 350 HG22 ILE 51 2HG2 ILE 51 -1.265 1.694 7.167 351 HG23 ILE 51 3HG2 ILE 51 -0.176 0.775 8.205 352 HD11 ILE 51 1HD1 ILE 51 1.017 2.357 6.039 353 HD12 ILE 51 2HD1 ILE 51 -0.543 2.801 5.343 354 HD13 ILE 51 3HD1 ILE 51 0.831 3.900 5.208 355 H LYS 52 H LYS 52 -2.425 2.539 10.676 356 HA LYS 52 HA LYS 52 -0.846 0.823 12.465 357 HB2 LYS 52 1HB LYS 52 -1.657 2.740 13.766 358 HB3 LYS 52 2HB LYS 52 -3.303 2.402 13.251 359 HG2 LYS 52 1HG LYS 52 -3.321 1.424 15.304 360 HG3 LYS 52 2HG LYS 52 -2.802 0.051 14.321 361 HD2 LYS 52 1HD LYS 52 -0.665 0.107 15.126 362 HD3 LYS 52 2HD LYS 52 -0.702 1.849 15.410 363 HE2 LYS 52 1HE LYS 52 -2.401 1.296 17.260 364 HE3 LYS 52 2HE LYS 52 -1.825 -0.362 17.100 365 HZ1 LYS 52 1HZ LYS 52 -0.566 1.896 18.343 366 HZ2 LYS 52 2HZ LYS 52 0.462 1.091 17.267 367 HZ3 LYS 52 3HZ LYS 52 -0.259 0.244 18.543 368 H ALA 53 H ALA 53 -1.227 -1.134 11.614 369 HA ALA 53 HA ALA 53 -3.307 -2.047 10.123 370 HB1 ALA 53 1HB ALA 53 -2.051 -3.871 10.219 371 HB2 ALA 53 2HB ALA 53 -1.190 -3.233 11.621 372 HB3 ALA 53 3HB ALA 53 -2.656 -4.187 11.845 373 HA PRO 54 HA PRO 54 -6.950 -2.541 12.520 374 HB2 PRO 54 1HB PRO 54 -7.791 -5.060 11.954 375 HB3 PRO 54 2HB PRO 54 -7.869 -3.736 10.786 376 HG2 PRO 54 1HG PRO 54 -5.838 -5.921 11.041 377 HG3 PRO 54 2HG PRO 54 -6.601 -5.268 9.580 378 HD2 PRO 54 1HD PRO 54 -4.108 -4.558 10.361 379 HD3 PRO 54 2HD PRO 54 -5.194 -3.444 9.507 380 H SER 55 H SER 55 -4.356 -4.754 13.063 381 HA SER 55 HA SER 55 -5.573 -5.781 15.517 382 HB2 SER 55 1HB SER 55 -4.223 -7.166 13.718 383 HB3 SER 55 2HB SER 55 -2.829 -6.569 14.618 384 HG SER 55 HG SER 55 -3.777 -8.635 15.324 385 H GLY 56 H GLY 56 -4.135 -3.043 14.786 386 HA2 GLY 56 1HA GLY 56 -3.253 -1.435 16.210 387 HA3 GLY 56 2HA GLY 56 -3.112 -2.663 17.460 388 H ARG 57 H ARG 57 -1.775 -3.258 14.318 389 HA ARG 57 HA ARG 57 0.911 -3.121 15.492 390 HB2 ARG 57 1HB ARG 57 0.125 -4.449 12.899 391 HB3 ARG 57 2HB ARG 57 1.611 -4.670 13.812 392 HG2 ARG 57 1HG ARG 57 -1.071 -5.401 14.939 393 HG3 ARG 57 2HG ARG 57 -0.127 -6.515 13.948 394 HD2 ARG 57 1HD ARG 57 0.627 -7.127 16.009 395 HD3 ARG 57 2HD ARG 57 1.778 -5.839 15.656 396 HE ARG 57 HE ARG 57 -0.609 -5.003 17.058 397 HH11 ARG 57 1HH1 ARG 57 2.683 -6.109 17.316 398 HH12 ARG 57 2HH1 ARG 57 2.914 -5.460 18.906 399 HH21 ARG 57 1HH2 ARG 57 -0.318 -4.145 19.151 400 HH22 ARG 57 2HH2 ARG 57 1.206 -4.345 19.949 401 H ASP 58 H ASP 58 2.022 -1.339 15.071 402 HA ASP 58 HA ASP 58 1.334 0.500 13.026 403 HB2 ASP 58 1HB ASP 58 2.374 1.439 14.917 404 HB3 ASP 58 2HB ASP 58 3.676 0.253 14.899 405 H GLU 59 H GLU 59 2.671 1.180 11.237 406 HA GLU 59 HA GLU 59 4.532 -0.852 10.235 407 HB2 GLU 59 1HB GLU 59 2.522 0.409 8.391 408 HB3 GLU 59 2HB GLU 59 3.498 -1.032 8.136 409 HG2 GLU 59 1HG GLU 59 1.528 -1.056 10.355 410 HG3 GLU 59 2HG GLU 59 0.927 -1.167 8.702 411 HA PRO 60 HA PRO 60 7.034 2.636 9.271 412 HB2 PRO 60 1HB PRO 60 8.644 1.509 7.398 413 HB3 PRO 60 2HB PRO 60 8.781 1.153 9.124 414 HG2 PRO 60 1HG PRO 60 7.434 -0.424 6.966 415 HG3 PRO 60 2HG PRO 60 8.465 -0.995 8.291 416 HD2 PRO 60 1HD PRO 60 5.764 -1.156 8.375 417 HD3 PRO 60 2HD PRO 60 6.751 -0.910 9.830 418 H CYS 61 H CYS 61 5.219 3.804 8.294 419 HA CYS 61 HA CYS 61 4.987 3.597 5.392 420 HB2 CYS 61 1HB CYS 61 3.036 4.948 5.575 421 HB3 CYS 61 2HB CYS 61 2.966 3.796 6.902 422 HG CYS 61 HG CYS 61 4.503 6.455 7.998 423 H LEU 62 H LEU 62 5.485 5.250 3.975 424 HA LEU 62 HA LEU 62 6.773 7.644 5.071 425 HB2 LEU 62 1HB LEU 62 8.349 5.669 4.319 426 HB3 LEU 62 2HB LEU 62 8.018 6.317 2.712 427 HG LEU 62 HG LEU 62 10.106 7.197 3.541 428 HD11 LEU 62 1HD1 LEU 62 9.722 9.223 2.686 429 HD12 LEU 62 2HD1 LEU 62 8.538 9.625 3.929 430 HD13 LEU 62 3HD1 LEU 62 8.049 8.689 2.517 431 HD21 LEU 62 1HD2 LEU 62 10.370 8.344 5.568 432 HD22 LEU 62 2HD2 LEU 62 9.402 6.929 5.980 433 HD23 LEU 62 3HD2 LEU 62 8.630 8.506 5.806 434 H LEU 63 H LEU 63 6.225 9.464 4.034 435 HA LEU 63 HA LEU 63 4.472 9.240 1.717 436 HB2 LEU 63 1HB LEU 63 5.056 11.344 3.741 437 HB3 LEU 63 2HB LEU 63 4.414 11.834 2.175 438 HG LEU 63 HG LEU 63 3.028 9.770 3.857 439 HD11 LEU 63 1HD1 LEU 63 3.498 12.112 4.969 440 HD12 LEU 63 2HD1 LEU 63 1.925 11.327 5.112 441 HD13 LEU 63 3HD1 LEU 63 2.165 12.614 3.930 442 HD21 LEU 63 1HD2 LEU 63 1.145 11.195 2.524 443 HD22 LEU 63 2HD2 LEU 63 1.880 9.707 1.927 444 HD23 LEU 63 3HD2 LEU 63 2.494 11.271 1.391 445 H LYS 64 H LYS 64 4.957 9.939 -0.292 446 HA LYS 64 HA LYS 64 7.371 11.525 -0.723 447 HB2 LYS 64 1HB LYS 64 8.153 9.997 -2.500 448 HB3 LYS 64 2HB LYS 64 8.164 9.239 -0.912 449 HG2 LYS 64 1HG LYS 64 6.078 8.089 -1.439 450 HG3 LYS 64 2HG LYS 64 6.053 8.857 -3.028 451 HD2 LYS 64 1HD LYS 64 6.937 6.690 -3.364 452 HD3 LYS 64 2HD LYS 64 8.314 7.792 -3.433 453 HE2 LYS 64 1HE LYS 64 8.439 7.253 -0.857 454 HE3 LYS 64 2HE LYS 64 7.565 5.801 -1.345 455 HZ1 LYS 64 1HZ LYS 64 9.432 4.928 -2.116 456 HZ2 LYS 64 2HZ LYS 64 10.289 6.252 -1.502 457 HZ3 LYS 64 3HZ LYS 64 9.733 6.272 -3.099 458 H ARG 65 H ARG 65 7.560 12.053 -3.157 459 HA ARG 65 HA ARG 65 4.902 12.903 -4.044 460 HB2 ARG 65 1HB ARG 65 6.319 14.761 -3.953 461 HB3 ARG 65 2HB ARG 65 7.691 13.866 -4.593 462 HG2 ARG 65 1HG ARG 65 6.952 15.373 -6.275 463 HG3 ARG 65 2HG ARG 65 6.495 13.745 -6.779 464 HD2 ARG 65 1HD ARG 65 4.261 14.131 -6.477 465 HD3 ARG 65 2HD ARG 65 4.529 15.331 -5.214 466 HE ARG 65 HE ARG 65 5.452 16.243 -7.749 467 HH11 ARG 65 1HH1 ARG 65 2.592 15.791 -5.816 468 HH12 ARG 65 2HH1 ARG 65 1.699 17.047 -6.609 469 HH21 ARG 65 1HH2 ARG 65 4.287 17.899 -8.800 470 HH22 ARG 65 2HH2 ARG 65 2.664 18.245 -8.306 471 H LEU 66 H LEU 66 3.917 11.907 -5.668 472 HA LEU 66 HA LEU 66 5.418 10.003 -7.291 473 HB2 LEU 66 1HB LEU 66 2.469 10.506 -6.953 474 HB3 LEU 66 2HB LEU 66 3.135 9.334 -8.087 475 HG LEU 66 HG LEU 66 3.428 9.242 -5.085 476 HD11 LEU 66 1HD1 LEU 66 2.018 7.163 -5.395 477 HD12 LEU 66 2HD1 LEU 66 1.652 7.768 -7.010 478 HD13 LEU 66 3HD1 LEU 66 1.190 8.708 -5.593 479 HD21 LEU 66 1HD2 LEU 66 5.067 7.783 -5.400 480 HD22 LEU 66 2HD2 LEU 66 4.969 8.043 -7.142 481 HD23 LEU 66 3HD2 LEU 66 4.000 6.778 -6.382 482 HA PRO 67 HA PRO 67 5.512 12.459 -10.928 483 HB2 PRO 67 1HB PRO 67 5.253 10.561 -12.852 484 HB3 PRO 67 2HB PRO 67 6.726 10.766 -11.896 485 HG2 PRO 67 1HG PRO 67 4.502 8.793 -11.547 486 HG3 PRO 67 2HG PRO 67 6.253 8.536 -11.437 487 HD2 PRO 67 1HD PRO 67 4.681 8.813 -9.250 488 HD3 PRO 67 2HD PRO 67 6.366 9.367 -9.290 489 H ASN 68 H ASN 68 4.308 12.739 -13.095 490 HA ASN 68 HA ASN 68 2.399 13.326 -14.183 491 HB2 ASN 68 1HB ASN 68 1.643 10.771 -12.835 492 HB3 ASN 68 2HB ASN 68 0.364 11.732 -13.570 493 HD21 ASN 68 1HD2 ASN 68 2.922 9.563 -14.092 494 HD22 ASN 68 2HD2 ASN 68 2.846 9.518 -15.818 495 H ASN 69 H ASN 69 3.026 14.572 -11.657 496 HA ASN 69 HA ASN 69 2.130 15.991 -10.121 497 HB2 ASN 69 1HB ASN 69 1.022 16.686 -12.405 498 HB3 ASN 69 2HB ASN 69 -0.442 16.061 -11.650 499 HD21 ASN 69 1HD2 ASN 69 -1.486 17.274 -10.194 500 HD22 ASN 69 2HD2 ASN 69 -0.946 18.814 -9.628 501 H HIS 70 H HIS 70 1.981 13.443 -9.280 502 HA HIS 70 HA HIS 70 -0.583 13.394 -7.850 503 HB2 HIS 70 1HB HIS 70 0.783 10.963 -9.023 504 HB3 HIS 70 2HB HIS 70 -0.691 10.955 -8.059 505 HD1 HIS 70 1HD HIS 70 -1.864 13.529 -9.639 506 HD2 HIS 70 2HD HIS 70 -0.541 9.943 -11.265 507 HE1 HIS 70 1HE HIS 70 -3.015 13.336 -11.866 508 HE2 HIS 70 2HE HIS 70 -2.265 11.118 -12.794 509 H ILE 71 H ILE 71 -0.477 11.928 -5.904 510 HA ILE 71 HA ILE 71 2.217 11.682 -4.789 511 HB ILE 71 HB ILE 71 -0.026 13.005 -3.264 512 HG12 ILE 71 1HG1 ILE 71 2.471 14.348 -4.292 513 HG13 ILE 71 2HG1 ILE 71 0.969 14.336 -5.209 514 HG21 ILE 71 1HG2 ILE 71 2.897 12.867 -2.567 515 HG22 ILE 71 2HG2 ILE 71 1.555 13.377 -1.543 516 HG23 ILE 71 3HG2 ILE 71 1.717 11.683 -2.005 517 HD11 ILE 71 1HD1 ILE 71 1.498 15.604 -2.542 518 HD12 ILE 71 2HD1 ILE 71 1.040 16.387 -4.055 519 HD13 ILE 71 3HD1 ILE 71 -0.125 15.379 -3.195 520 H GLY 72 H GLY 72 2.466 10.042 -3.301 521 HA2 GLY 72 1HA GLY 72 0.125 8.623 -2.315 522 HA3 GLY 72 2HA GLY 72 1.143 7.728 -3.433 523 H ILE 73 H ILE 73 0.740 6.752 -0.922 524 HA ILE 73 HA ILE 73 3.170 7.436 0.580 525 HB ILE 73 HB ILE 73 1.031 7.503 1.824 526 HG12 ILE 73 1HG1 ILE 73 2.646 5.191 2.868 527 HG13 ILE 73 2HG1 ILE 73 3.333 6.809 2.794 528 HG21 ILE 73 1HG2 ILE 73 0.802 4.801 0.692 529 HG22 ILE 73 2HG2 ILE 73 0.342 4.948 2.387 530 HG23 ILE 73 3HG2 ILE 73 -0.453 5.945 1.169 531 HD11 ILE 73 1HD1 ILE 73 1.156 5.748 4.514 532 HD12 ILE 73 2HD1 ILE 73 2.529 6.775 4.928 533 HD13 ILE 73 3HD1 ILE 73 1.144 7.456 4.075 534 H SER 74 H SER 74 4.411 5.672 1.533 535 HA SER 74 HA SER 74 4.206 3.128 0.085 536 HB2 SER 74 1HB SER 74 6.606 4.935 0.245 537 HB3 SER 74 2HB SER 74 6.795 3.197 0.013 538 HG SER 74 HG SER 74 5.276 4.936 -1.640 539 H PHE 75 H PHE 75 3.999 1.577 1.543 540 HA PHE 75 HA PHE 75 5.778 1.510 3.845 541 HB2 PHE 75 1HB PHE 75 4.152 1.485 5.500 542 HB3 PHE 75 2HB PHE 75 3.500 2.679 4.382 543 HD1 PHE 75 1HD PHE 75 1.702 1.981 2.776 544 HD2 PHE 75 2HD PHE 75 2.971 -0.473 6.014 545 HE1 PHE 75 1HE PHE 75 -0.381 0.681 2.603 546 HE2 PHE 75 2HE PHE 75 0.891 -1.776 5.847 547 HZ PHE 75 HZ PHE 75 -0.788 -1.201 4.139 548 H ILE 76 H ILE 76 5.784 -0.585 4.925 549 HA ILE 76 HA ILE 76 5.137 -2.737 3.035 550 HB ILE 76 HB ILE 76 7.063 -2.711 5.361 551 HG12 ILE 76 1HG1 ILE 76 7.836 -3.127 2.500 552 HG13 ILE 76 2HG1 ILE 76 7.519 -1.491 3.067 553 HG21 ILE 76 1HG2 ILE 76 6.225 -4.917 5.198 554 HG22 ILE 76 2HG2 ILE 76 6.293 -4.889 3.437 555 HG23 ILE 76 3HG2 ILE 76 7.785 -4.922 4.376 556 HD11 ILE 76 1HD1 ILE 76 9.687 -1.493 3.594 557 HD12 ILE 76 2HD1 ILE 76 9.180 -2.425 5.003 558 HD13 ILE 76 3HD1 ILE 76 9.792 -3.254 3.573 559 HA PRO 77 HA PRO 77 1.884 -3.487 6.127 560 HB2 PRO 77 1HB PRO 77 0.302 -4.884 4.419 561 HB3 PRO 77 2HB PRO 77 0.326 -3.118 4.479 562 HG2 PRO 77 1HG PRO 77 1.709 -4.966 2.573 563 HG3 PRO 77 2HG PRO 77 0.847 -3.453 2.239 564 HD2 PRO 77 1HD PRO 77 3.548 -3.589 2.382 565 HD3 PRO 77 2HD PRO 77 2.637 -2.146 2.870 566 H ARG 78 H ARG 78 1.869 -5.154 7.503 567 HA ARG 78 HA ARG 78 3.112 -7.673 6.650 568 HB2 ARG 78 1HB ARG 78 2.872 -6.246 9.256 569 HB3 ARG 78 2HB ARG 78 2.960 -8.002 9.282 570 HG2 ARG 78 1HG ARG 78 5.170 -7.477 9.466 571 HG3 ARG 78 2HG ARG 78 5.026 -7.600 7.712 572 HD2 ARG 78 1HD ARG 78 6.132 -5.601 7.907 573 HD3 ARG 78 2HD ARG 78 4.458 -5.047 7.894 574 HE ARG 78 HE ARG 78 4.774 -4.261 10.008 575 HH11 ARG 78 1HH1 ARG 78 7.151 -6.727 9.381 576 HH12 ARG 78 2HH1 ARG 78 7.973 -6.503 10.890 577 HH21 ARG 78 1HH2 ARG 78 5.848 -3.956 11.997 578 HH22 ARG 78 2HH2 ARG 78 7.231 -4.926 12.377 579 H GLU 79 H GLU 79 0.109 -6.283 7.437 580 HA GLU 79 HA GLU 79 -1.097 -8.963 7.621 581 HB2 GLU 79 1HB GLU 79 -1.099 -7.269 9.697 582 HB3 GLU 79 2HB GLU 79 -2.521 -6.666 8.856 583 HG2 GLU 79 1HG GLU 79 -3.106 -9.257 8.807 584 HG3 GLU 79 2HG GLU 79 -2.078 -9.244 10.240 585 H VAL 80 H VAL 80 -3.457 -8.938 6.999 586 HA VAL 80 HA VAL 80 -3.867 -7.095 4.732 587 HB VAL 80 HB VAL 80 -5.103 -8.836 3.590 588 HG11 VAL 80 1HG1 VAL 80 -3.185 -9.541 2.723 589 HG12 VAL 80 2HG1 VAL 80 -2.338 -8.904 4.136 590 HG13 VAL 80 3HG1 VAL 80 -2.900 -10.576 4.122 591 HG21 VAL 80 1HG2 VAL 80 -4.684 -10.338 6.146 592 HG22 VAL 80 2HG2 VAL 80 -6.171 -10.088 5.231 593 HG23 VAL 80 3HG2 VAL 80 -4.940 -11.198 4.627 594 H GLY 81 H GLY 81 -5.751 -5.999 4.607 595 HA2 GLY 81 1HA GLY 81 -8.259 -6.529 5.324 596 HA3 GLY 81 2HA GLY 81 -7.547 -6.191 6.894 597 H GLU 82 H GLU 82 -8.619 -4.323 7.360 598 HA GLU 82 HA GLU 82 -8.473 -2.128 5.422 599 HB2 GLU 82 1HB GLU 82 -10.687 -2.658 6.361 600 HB3 GLU 82 2HB GLU 82 -10.069 -2.361 7.980 601 HG2 GLU 82 1HG GLU 82 -9.696 -0.035 7.456 602 HG3 GLU 82 2HG GLU 82 -10.195 -0.306 5.787 603 H HIS 83 H HIS 83 -6.740 -0.878 5.599 604 HA HIS 83 HA HIS 83 -5.595 -0.394 8.263 605 HB2 HIS 83 1HB HIS 83 -4.441 -0.321 5.490 606 HB3 HIS 83 2HB HIS 83 -3.650 0.535 6.810 607 HD1 HIS 83 1HD HIS 83 -5.148 -2.966 6.601 608 HD2 HIS 83 2HD HIS 83 -1.619 -1.033 7.637 609 HE1 HIS 83 1HE HIS 83 -3.599 -4.777 7.403 610 HE2 HIS 83 2HE HIS 83 -1.501 -3.575 8.104 611 H LEU 84 H LEU 84 -5.599 1.588 9.145 612 HA LEU 84 HA LEU 84 -6.806 3.759 7.580 613 HB2 LEU 84 1HB LEU 84 -6.658 3.154 10.506 614 HB3 LEU 84 2HB LEU 84 -6.970 4.797 9.950 615 HG LEU 84 HG LEU 84 -8.677 2.393 9.304 616 HD11 LEU 84 1HD1 LEU 84 -8.501 3.612 11.725 617 HD12 LEU 84 2HD1 LEU 84 -9.942 2.809 11.104 618 HD13 LEU 84 3HD1 LEU 84 -9.771 4.557 10.947 619 HD21 LEU 84 1HD2 LEU 84 -8.856 5.311 8.628 620 HD22 LEU 84 2HD2 LEU 84 -10.287 4.280 8.670 621 HD23 LEU 84 3HD2 LEU 84 -8.969 3.917 7.555 622 H VAL 85 H VAL 85 -5.442 5.179 6.740 623 HA VAL 85 HA VAL 85 -2.818 5.572 7.966 624 HB VAL 85 HB VAL 85 -3.808 6.739 5.367 625 HG11 VAL 85 1HG1 VAL 85 -1.015 6.166 5.451 626 HG12 VAL 85 2HG1 VAL 85 -1.820 7.726 5.278 627 HG13 VAL 85 3HG1 VAL 85 -1.450 7.097 6.883 628 HG21 VAL 85 1HG2 VAL 85 -2.785 4.025 6.012 629 HG22 VAL 85 2HG2 VAL 85 -3.980 4.529 4.816 630 HG23 VAL 85 3HG2 VAL 85 -2.262 4.773 4.504 631 H SER 86 H SER 86 -2.664 7.113 9.451 632 HA SER 86 HA SER 86 -4.527 9.312 9.551 633 HB2 SER 86 1HB SER 86 -2.085 9.231 11.271 634 HB3 SER 86 2HB SER 86 -3.732 9.713 11.681 635 HG SER 86 HG SER 86 -3.919 7.779 12.459 636 H ILE 87 H ILE 87 -4.295 11.027 8.290 637 HA ILE 87 HA ILE 87 -1.581 12.083 7.844 638 HB ILE 87 HB ILE 87 -3.788 12.312 5.809 639 HG12 ILE 87 1HG1 ILE 87 -3.329 9.935 6.110 640 HG13 ILE 87 2HG1 ILE 87 -2.673 10.486 4.572 641 HG21 ILE 87 1HG2 ILE 87 -1.447 12.437 4.465 642 HG22 ILE 87 2HG2 ILE 87 -2.301 13.845 5.096 643 HG23 ILE 87 3HG2 ILE 87 -0.972 13.136 6.013 644 HD11 ILE 87 1HD1 ILE 87 -1.331 9.320 6.860 645 HD12 ILE 87 2HD1 ILE 87 -0.796 9.475 5.186 646 HD13 ILE 87 3HD1 ILE 87 -0.569 10.813 6.311 647 H LYS 88 H LYS 88 -1.358 14.020 8.721 648 HA LYS 88 HA LYS 88 -3.606 15.905 8.608 649 HB2 LYS 88 1HB LYS 88 -1.873 15.890 11.039 650 HB3 LYS 88 2HB LYS 88 -3.536 16.432 10.854 651 HG2 LYS 88 1HG LYS 88 -4.374 14.241 10.943 652 HG3 LYS 88 2HG LYS 88 -2.779 13.533 10.683 653 HD2 LYS 88 1HD LYS 88 -2.081 14.508 12.880 654 HD3 LYS 88 2HD LYS 88 -3.762 14.983 13.139 655 HE2 LYS 88 1HE LYS 88 -4.278 12.487 12.674 656 HE3 LYS 88 2HE LYS 88 -2.565 12.240 13.012 657 HZ1 LYS 88 1HZ LYS 88 -4.323 12.104 14.910 658 HZ2 LYS 88 2HZ LYS 88 -4.175 13.789 14.915 659 HZ3 LYS 88 3HZ LYS 88 -2.817 12.820 15.195 660 H LYS 89 H LYS 89 -2.794 18.171 9.294 661 HA LYS 89 HA LYS 89 -0.099 18.604 8.184 662 HB2 LYS 89 1HB LYS 89 -1.835 19.259 6.564 663 HB3 LYS 89 2HB LYS 89 -2.543 20.336 7.762 664 HG2 LYS 89 1HG LYS 89 -0.457 21.641 7.790 665 HG3 LYS 89 2HG LYS 89 0.198 20.584 6.537 666 HD2 LYS 89 1HD LYS 89 -2.435 21.884 6.051 667 HD3 LYS 89 2HD LYS 89 -0.979 22.877 5.943 668 HE2 LYS 89 1HE LYS 89 -0.047 21.132 4.381 669 HE3 LYS 89 2HE LYS 89 -1.653 20.405 4.361 670 HZ1 LYS 89 1HZ LYS 89 -2.262 22.921 3.791 671 HZ2 LYS 89 2HZ LYS 89 -1.904 21.770 2.606 672 HZ3 LYS 89 3HZ LYS 89 -0.712 22.857 3.116 673 H ASN 90 H ASN 90 1.082 19.084 9.942 674 HA ASN 90 HA ASN 90 1.884 20.247 11.725 675 HB2 ASN 90 1HB ASN 90 -0.204 22.294 10.944 676 HB3 ASN 90 2HB ASN 90 1.147 22.570 12.039 677 HD21 ASN 90 1HD2 ASN 90 0.119 23.151 9.039 678 HD22 ASN 90 2HD2 ASN 90 1.626 23.246 8.200 679 H GLY 91 H GLY 91 -0.392 18.370 11.966 680 HA2 GLY 91 1HA GLY 91 -1.279 17.540 13.995 681 HA3 GLY 91 2HA GLY 91 -1.179 19.159 14.672 682 H ASN 92 H ASN 92 -2.508 18.972 11.530 683 HA ASN 92 HA ASN 92 -5.242 18.995 12.614 684 HB2 ASN 92 1HB ASN 92 -3.992 20.969 10.705 685 HB3 ASN 92 2HB ASN 92 -5.736 20.776 10.853 686 HD21 ASN 92 1HD2 ASN 92 -3.576 22.865 11.607 687 HD22 ASN 92 2HD2 ASN 92 -4.048 23.343 13.198 688 H HIS 93 H HIS 93 -5.971 17.090 11.851 689 HA HIS 93 HA HIS 93 -5.320 15.568 9.764 690 HB2 HIS 93 1HB HIS 93 -7.968 16.185 10.981 691 HB3 HIS 93 2HB HIS 93 -7.952 15.246 9.491 692 HD1 HIS 93 1HD HIS 93 -6.942 12.864 9.601 693 HD2 HIS 93 2HD HIS 93 -7.012 14.858 13.245 694 HE1 HIS 93 1HE HIS 93 -6.473 11.107 11.339 695 HE2 HIS 93 2HE HIS 93 -6.605 12.321 13.541 696 H VAL 94 H VAL 94 -5.585 15.451 7.567 697 HA VAL 94 HA VAL 94 -6.436 17.942 6.260 698 HB VAL 94 HB VAL 94 -5.124 17.228 4.332 699 HG11 VAL 94 1HG1 VAL 94 -3.356 18.205 5.255 700 HG12 VAL 94 2HG1 VAL 94 -4.117 17.996 6.834 701 HG13 VAL 94 3HG1 VAL 94 -3.010 16.768 6.218 702 HG21 VAL 94 1HG2 VAL 94 -5.514 14.729 4.976 703 HG22 VAL 94 2HG2 VAL 94 -4.039 15.202 4.132 704 HG23 VAL 94 3HG2 VAL 94 -4.010 14.926 5.873 705 H ALA 95 H ALA 95 -7.221 17.497 3.908 706 HA ALA 95 HA ALA 95 -9.686 16.143 4.083 707 HB1 ALA 95 1HB ALA 95 -9.706 16.496 1.557 708 HB2 ALA 95 2HB ALA 95 -9.592 17.934 2.573 709 HB3 ALA 95 3HB ALA 95 -8.152 17.300 1.776 710 H ASN 96 H ASN 96 -10.399 14.211 3.211 711 HA ASN 96 HA ASN 96 -10.304 12.035 2.557 712 HB2 ASN 96 1HB ASN 96 -7.740 12.860 1.176 713 HB3 ASN 96 2HB ASN 96 -8.662 11.395 0.858 714 HD21 ASN 96 1HD2 ASN 96 -8.724 14.897 0.676 715 HD22 ASN 96 2HD2 ASN 96 -9.903 14.998 -0.582 716 H SER 97 H SER 97 -9.151 12.845 5.069 717 HA SER 97 HA SER 97 -7.374 10.549 5.485 718 HB2 SER 97 1HB SER 97 -5.873 12.444 5.357 719 HB3 SER 97 2HB SER 97 -6.868 13.360 6.488 720 HG SER 97 HG SER 97 -5.775 12.458 8.024 721 HA PRO 98 HA PRO 98 -6.308 9.651 7.221 722 HB2 PRO 98 1HB PRO 98 -6.966 7.189 8.157 723 HB3 PRO 98 2HB PRO 98 -6.385 8.490 9.203 724 HG2 PRO 98 1HG PRO 98 -9.189 7.568 8.705 725 HG3 PRO 98 2HG PRO 98 -8.413 8.014 10.236 726 HD2 PRO 98 1HD PRO 98 -10.052 9.697 8.889 727 HD3 PRO 98 2HD PRO 98 -8.680 10.272 9.859 728 H VAL 99 H VAL 99 -5.722 8.026 5.698 729 HA VAL 99 HA VAL 99 -7.720 7.634 3.636 730 HB VAL 99 HB VAL 99 -4.831 6.757 3.645 731 HG11 VAL 99 1HG1 VAL 99 -5.447 7.155 1.066 732 HG12 VAL 99 2HG1 VAL 99 -5.630 5.597 1.874 733 HG13 VAL 99 3HG1 VAL 99 -7.026 6.656 1.673 734 HG21 VAL 99 1HG2 VAL 99 -6.054 9.277 2.527 735 HG22 VAL 99 2HG2 VAL 99 -5.027 9.180 3.957 736 HG23 VAL 99 3HG2 VAL 99 -4.369 8.783 2.370 737 H SER 100 H SER 100 -8.878 5.847 3.364 738 HA SER 100 HA SER 100 -8.305 3.520 5.015 739 HB2 SER 100 1HB SER 100 -10.517 2.796 4.529 740 HB3 SER 100 2HB SER 100 -10.627 4.542 4.750 741 HG SER 100 HG SER 100 -11.039 4.799 2.672 742 H ILE 101 H ILE 101 -6.894 2.103 4.227 743 HA ILE 101 HA ILE 101 -6.989 1.477 1.349 744 HB ILE 101 HB ILE 101 -4.675 1.103 3.254 745 HG12 ILE 101 1HG1 ILE 101 -5.094 3.123 1.041 746 HG13 ILE 101 2HG1 ILE 101 -5.109 3.470 2.767 747 HG21 ILE 101 1HG2 ILE 101 -4.979 -0.494 1.265 748 HG22 ILE 101 2HG2 ILE 101 -4.566 0.899 0.266 749 HG23 ILE 101 3HG2 ILE 101 -3.416 0.300 1.462 750 HD11 ILE 101 1HD1 ILE 101 -2.980 4.067 2.335 751 HD12 ILE 101 2HD1 ILE 101 -2.697 2.343 2.575 752 HD13 ILE 101 3HD1 ILE 101 -2.843 2.994 0.943 753 H MET 102 H MET 102 -7.087 -0.639 0.681 754 HA MET 102 HA MET 102 -7.685 -2.604 2.788 755 HB2 MET 102 1HB MET 102 -9.596 -2.314 1.406 756 HB3 MET 102 2HB MET 102 -8.632 -2.371 -0.064 757 HG2 MET 102 1HG MET 102 -10.033 -4.419 0.550 758 HG3 MET 102 2HG MET 102 -8.363 -4.668 0.046 759 HE1 MET 102 1HE MET 102 -10.967 -5.099 2.972 760 HE2 MET 102 2HE MET 102 -9.912 -4.932 4.376 761 HE3 MET 102 3HE MET 102 -10.171 -3.559 3.300 762 H VAL 103 H VAL 103 -6.159 -4.061 3.149 763 HA VAL 103 HA VAL 103 -4.259 -4.695 0.998 764 HB VAL 103 HB VAL 103 -3.985 -5.172 3.969 765 HG11 VAL 103 1HG1 VAL 103 -1.561 -5.533 3.303 766 HG12 VAL 103 2HG1 VAL 103 -2.698 -6.812 2.873 767 HG13 VAL 103 3HG1 VAL 103 -2.146 -5.672 1.646 768 HG21 VAL 103 1HG2 VAL 103 -3.949 -2.761 3.044 769 HG22 VAL 103 2HG2 VAL 103 -2.643 -3.278 4.111 770 HG23 VAL 103 3HG2 VAL 103 -2.383 -3.212 2.367 771 H VAL 104 H VAL 104 -4.010 -6.735 0.250 772 HA VAL 104 HA VAL 104 -5.411 -8.920 1.615 773 HB VAL 104 HB VAL 104 -6.263 -9.770 -0.544 774 HG11 VAL 104 1HG1 VAL 104 -7.824 -7.582 -0.864 775 HG12 VAL 104 2HG1 VAL 104 -8.037 -8.774 0.419 776 HG13 VAL 104 3HG1 VAL 104 -7.156 -7.279 0.739 777 HG21 VAL 104 1HG2 VAL 104 -6.133 -7.277 -1.993 778 HG22 VAL 104 2HG2 VAL 104 -4.518 -7.892 -1.637 779 HG23 VAL 104 3HG2 VAL 104 -5.674 -8.901 -2.507 780 H GLN 105 H GLN 105 -4.830 -11.077 0.557 781 HA GLN 105 HA GLN 105 -1.935 -11.086 0.108 782 HB2 GLN 105 1HB GLN 105 -3.885 -13.047 1.218 783 HB3 GLN 105 2HB GLN 105 -2.438 -13.670 0.438 784 HG2 GLN 105 1HG GLN 105 -1.047 -12.864 2.052 785 HG3 GLN 105 2HG GLN 105 -2.122 -11.530 2.470 786 HE21 GLN 105 1HE2 GLN 105 -1.160 -12.675 4.565 787 HE22 GLN 105 2HE2 GLN 105 -2.267 -13.767 5.317 788 H SER 106 H SER 106 -1.257 -11.204 -1.918 789 HA SER 106 HA SER 106 -3.013 -12.237 -3.994 790 HB2 SER 106 1HB SER 106 -1.508 -11.252 -5.562 791 HB3 SER 106 2HB SER 106 -1.667 -10.098 -4.237 792 HG SER 106 HG SER 106 0.350 -10.468 -3.646 793 H GLU 107 H GLU 107 -2.984 -14.312 -4.515 794 HA GLU 107 HA GLU 107 -0.433 -15.775 -4.324 795 HB2 GLU 107 1HB GLU 107 -3.207 -16.605 -3.537 796 HB3 GLU 107 2HB GLU 107 -2.017 -17.814 -3.997 797 HG2 GLU 107 1HG GLU 107 -0.506 -16.826 -2.243 798 HG3 GLU 107 2HG GLU 107 -1.892 -15.884 -1.699 799 H ILE 108 H ILE 108 0.136 -17.070 -6.015 800 HA ILE 108 HA ILE 108 -1.468 -16.780 -8.444 801 HB ILE 108 HB ILE 108 1.356 -17.794 -8.100 802 HG12 ILE 108 1HG1 ILE 108 0.425 -15.187 -9.306 803 HG13 ILE 108 2HG1 ILE 108 0.931 -15.344 -7.628 804 HG21 ILE 108 1HG2 ILE 108 1.486 -17.582 -10.553 805 HG22 ILE 108 2HG2 ILE 108 0.312 -18.792 -10.038 806 HG23 ILE 108 3HG2 ILE 108 -0.238 -17.210 -10.591 807 HD11 ILE 108 1HD1 ILE 108 2.548 -14.706 -9.736 808 HD12 ILE 108 2HD1 ILE 108 3.088 -15.311 -8.170 809 HD13 ILE 108 3HD1 ILE 108 2.863 -16.427 -9.516 810 H GLY 109 H GLY 109 0.073 -19.286 -6.462 811 HA2 GLY 109 1HA GLY 109 -1.340 -21.344 -8.014 812 HA3 GLY 109 2HA GLY 109 0.003 -21.629 -6.917 813 H ASP 110 H ASP 110 -3.419 -20.778 -7.068 814 HA ASP 110 HA ASP 110 -3.751 -21.388 -4.237 815 HB2 ASP 110 1HB ASP 110 -5.047 -19.537 -4.754 816 HB3 ASP 110 2HB ASP 110 -5.469 -20.150 -6.351 817 H SER 111 H SER 111 -5.404 -22.891 -3.520 818 HA SER 111 HA SER 111 -5.241 -25.373 -4.953 819 HB2 SER 111 1HB SER 111 -5.161 -25.275 -2.480 820 HB3 SER 111 2HB SER 111 -6.824 -24.691 -2.462 821 HG SER 111 HG SER 111 -5.884 -27.208 -3.367 822 H GLY 112 H GLY 112 -7.343 -26.729 -5.097 823 HA2 GLY 112 1HA GLY 112 -9.866 -25.672 -5.417 824 HA3 GLY 112 2HA GLY 112 -9.058 -25.395 -6.952 825 HA PRO 113 HA PRO 113 -10.845 -29.796 -6.520 826 HB2 PRO 113 1HB PRO 113 -13.074 -29.485 -8.039 827 HB3 PRO 113 2HB PRO 113 -13.060 -29.235 -6.289 828 HG2 PRO 113 1HG PRO 113 -12.913 -27.215 -8.494 829 HG3 PRO 113 2HG PRO 113 -13.853 -27.163 -6.990 830 HD2 PRO 113 1HD PRO 113 -11.517 -25.828 -7.295 831 HD3 PRO 113 2HD PRO 113 -12.041 -26.491 -5.734 832 H SER 114 H SER 114 -10.931 -31.343 -8.239 833 HA SER 114 HA SER 114 -9.705 -30.355 -10.728 834 HB2 SER 114 1HB SER 114 -9.431 -32.963 -9.243 835 HB3 SER 114 2HB SER 114 -8.969 -32.816 -10.940 836 HG SER 114 HG SER 114 -7.210 -32.429 -9.516 837 H SER 115 H SER 115 -11.091 -30.245 -12.357 838 HA SER 115 HA SER 115 -13.636 -31.203 -12.517 839 HB2 SER 115 1HB SER 115 -11.599 -30.612 -14.646 840 HB3 SER 115 2HB SER 115 -13.193 -31.226 -15.086 841 HG SER 115 HG SER 115 -13.845 -29.381 -13.529 842 H GLY 116 H GLY 116 -10.906 -32.774 -14.203 843 HA2 GLY 116 1HA GLY 116 -12.357 -35.332 -13.902 844 HA3 GLY 116 2HA GLY 116 -11.347 -34.940 -15.286 Start of MODEL 9 1 H1 GLY 1 H GLY 1 9.299 0.944 27.895 2 HA2 GLY 1 1HA GLY 1 8.496 -1.437 27.931 3 HA3 GLY 1 2HA GLY 1 6.966 -0.788 27.357 4 H SER 2 H SER 2 8.923 -2.736 26.186 5 HA SER 2 HA SER 2 9.180 -1.410 23.572 6 HB2 SER 2 1HB SER 2 11.203 -3.257 24.863 7 HB3 SER 2 2HB SER 2 11.284 -2.685 23.197 8 HG SER 2 HG SER 2 12.534 -1.447 24.748 9 H SER 3 H SER 3 7.887 -2.390 22.178 10 HA SER 3 HA SER 3 7.222 -5.215 22.571 11 HB2 SER 3 1HB SER 3 5.452 -3.362 22.264 12 HB3 SER 3 2HB SER 3 5.921 -3.385 20.564 13 HG SER 3 HG SER 3 5.571 -5.830 20.962 14 H GLY 4 H GLY 4 9.139 -6.126 21.751 15 HA2 GLY 4 1HA GLY 4 9.446 -7.316 19.518 16 HA3 GLY 4 2HA GLY 4 9.607 -5.691 18.871 17 H SER 5 H SER 5 11.152 -8.256 20.585 18 HA SER 5 HA SER 5 13.517 -6.686 21.192 19 HB2 SER 5 1HB SER 5 12.869 -9.614 21.592 20 HB3 SER 5 2HB SER 5 14.395 -8.870 22.066 21 HG SER 5 HG SER 5 12.838 -7.324 23.211 22 H SER 6 H SER 6 12.920 -9.697 19.370 23 HA SER 6 HA SER 6 15.222 -9.014 17.667 24 HB2 SER 6 1HB SER 6 14.030 -11.638 18.519 25 HB3 SER 6 2HB SER 6 15.000 -11.537 17.050 26 HG SER 6 HG SER 6 16.566 -11.834 18.447 27 H GLY 7 H GLY 7 15.066 -9.258 15.409 28 HA2 GLY 7 1HA GLY 7 12.286 -9.278 14.406 29 HA3 GLY 7 2HA GLY 7 13.554 -8.267 13.730 30 H ILE 8 H ILE 8 11.895 -10.159 12.328 31 HA ILE 8 HA ILE 8 13.263 -12.576 11.820 32 HB ILE 8 HB ILE 8 11.885 -12.758 9.812 33 HG12 ILE 8 1HG1 ILE 8 10.683 -10.073 10.425 34 HG13 ILE 8 2HG1 ILE 8 12.092 -10.204 9.378 35 HG21 ILE 8 1HG2 ILE 8 9.872 -13.053 10.905 36 HG22 ILE 8 2HG2 ILE 8 11.015 -13.040 12.247 37 HG23 ILE 8 3HG2 ILE 8 10.070 -11.598 11.881 38 HD11 ILE 8 1HD1 ILE 8 10.333 -12.090 8.382 39 HD12 ILE 8 2HD1 ILE 8 9.311 -10.716 8.808 40 HD13 ILE 8 3HD1 ILE 8 10.671 -10.497 7.707 41 HA PRO 9 HA PRO 9 16.608 -11.331 9.250 42 HB2 PRO 9 1HB PRO 9 16.927 -13.590 7.779 43 HB3 PRO 9 2HB PRO 9 17.396 -13.477 9.479 44 HG2 PRO 9 1HG PRO 9 14.923 -14.655 8.270 45 HG3 PRO 9 2HG PRO 9 15.938 -15.287 9.579 46 HD2 PRO 9 1HD PRO 9 13.599 -14.001 10.040 47 HD3 PRO 9 2HD PRO 9 14.975 -13.912 11.159 48 H GLY 10 H GLY 10 15.922 -9.722 7.885 49 HA2 GLY 10 1HA GLY 10 14.797 -10.624 5.307 50 HA3 GLY 10 2HA GLY 10 14.205 -9.177 6.111 51 H SER 11 H SER 11 17.458 -10.470 5.428 52 HA SER 11 HA SER 11 18.781 -8.094 5.120 53 HB2 SER 11 1HB SER 11 19.186 -10.841 4.082 54 HB3 SER 11 2HB SER 11 20.083 -9.562 3.265 55 HG SER 11 HG SER 11 20.062 -9.765 6.078 56 HA PRO 12 HA PRO 12 17.774 -7.990 0.399 57 HB2 PRO 12 1HB PRO 12 15.939 -9.763 -0.529 58 HB3 PRO 12 2HB PRO 12 17.669 -10.121 -0.455 59 HG2 PRO 12 1HG PRO 12 15.489 -10.914 1.437 60 HG3 PRO 12 2HG PRO 12 16.837 -11.883 0.814 61 HD2 PRO 12 1HD PRO 12 16.866 -10.762 3.279 62 HD3 PRO 12 2HD PRO 12 18.340 -10.987 2.315 63 H PHE 13 H PHE 13 15.775 -7.399 -0.954 64 HA PHE 13 HA PHE 13 13.469 -6.719 0.718 65 HB2 PHE 13 1HB PHE 13 14.762 -4.683 -1.097 66 HB3 PHE 13 2HB PHE 13 13.469 -4.421 0.070 67 HD1 PHE 13 1HD PHE 13 17.054 -5.307 -0.228 68 HD2 PHE 13 2HD PHE 13 13.951 -3.814 2.271 69 HE1 PHE 13 1HE PHE 13 18.723 -4.697 1.472 70 HE2 PHE 13 2HE PHE 13 15.615 -3.200 3.976 71 HZ PHE 13 HZ PHE 13 18.004 -3.640 3.579 72 H THR 14 H THR 14 11.540 -6.776 -0.325 73 HA THR 14 HA THR 14 11.615 -7.396 -3.207 74 HB THR 14 HB THR 14 9.575 -8.328 -1.176 75 HG1 THR 14 1HG THR 14 10.576 -10.341 -1.436 76 HG21 THR 14 1HG2 THR 14 9.648 -8.319 -4.099 77 HG22 THR 14 2HG2 THR 14 8.290 -8.566 -3.002 78 HG23 THR 14 3HG2 THR 14 9.353 -9.913 -3.406 79 H ALA 15 H ALA 15 10.495 -6.124 -4.546 80 HA ALA 15 HA ALA 15 8.242 -4.563 -3.561 81 HB1 ALA 15 1HB ALA 15 9.225 -2.493 -4.669 82 HB2 ALA 15 2HB ALA 15 9.919 -2.980 -3.122 83 HB3 ALA 15 3HB ALA 15 10.771 -3.341 -4.624 84 H LYS 16 H LYS 16 6.672 -4.988 -4.956 85 HA LYS 16 HA LYS 16 7.280 -4.922 -7.829 86 HB2 LYS 16 1HB LYS 16 5.840 -7.061 -6.295 87 HB3 LYS 16 2HB LYS 16 5.444 -6.766 -7.982 88 HG2 LYS 16 1HG LYS 16 8.293 -7.163 -7.214 89 HG3 LYS 16 2HG LYS 16 7.221 -8.561 -7.320 90 HD2 LYS 16 1HD LYS 16 7.454 -6.549 -9.542 91 HD3 LYS 16 2HD LYS 16 8.537 -7.937 -9.416 92 HE2 LYS 16 1HE LYS 16 6.887 -9.441 -9.907 93 HE3 LYS 16 2HE LYS 16 5.611 -8.426 -9.237 94 HZ1 LYS 16 1HZ LYS 16 6.911 -8.244 -11.881 95 HZ2 LYS 16 2HZ LYS 16 6.105 -6.914 -11.216 96 HZ3 LYS 16 3HZ LYS 16 5.262 -8.350 -11.517 97 H ILE 17 H ILE 17 6.146 -3.333 -8.709 98 HA ILE 17 HA ILE 17 4.061 -1.949 -7.487 99 HB ILE 17 HB ILE 17 3.625 -0.925 -9.657 100 HG12 ILE 17 1HG1 ILE 17 5.631 -2.842 -10.842 101 HG13 ILE 17 2HG1 ILE 17 3.896 -3.120 -10.920 102 HG21 ILE 17 1HG2 ILE 17 6.012 -0.863 -8.246 103 HG22 ILE 17 2HG2 ILE 17 6.504 -1.003 -9.932 104 HG23 ILE 17 3HG2 ILE 17 5.456 0.322 -9.428 105 HD11 ILE 17 1HD1 ILE 17 3.674 -0.926 -12.077 106 HD12 ILE 17 2HD1 ILE 17 5.435 -0.841 -12.131 107 HD13 ILE 17 3HD1 ILE 17 4.588 -2.139 -12.972 108 H THR 18 H THR 18 1.849 -2.018 -7.637 109 HA THR 18 HA THR 18 0.410 -3.677 -9.421 110 HB THR 18 HB THR 18 1.287 -5.498 -8.049 111 HG1 THR 18 1HG THR 18 -1.116 -5.222 -8.735 112 HG21 THR 18 1HG2 THR 18 0.000 -5.329 -5.620 113 HG22 THR 18 2HG2 THR 18 0.571 -3.681 -5.880 114 HG23 THR 18 3HG2 THR 18 1.714 -5.024 -5.900 115 H ASP 19 H ASP 19 -1.748 -3.198 -9.409 116 HA ASP 19 HA ASP 19 -3.181 -2.174 -7.214 117 HB2 ASP 19 1HB ASP 19 -3.433 0.168 -7.888 118 HB3 ASP 19 2HB ASP 19 -1.747 -0.203 -7.537 119 H ASP 20 H ASP 20 -5.306 -2.366 -7.610 120 HA ASP 20 HA ASP 20 -6.148 -2.640 -10.422 121 HB2 ASP 20 1HB ASP 20 -7.466 -4.024 -8.086 122 HB3 ASP 20 2HB ASP 20 -7.687 -4.348 -9.804 123 H SER 21 H SER 21 -8.183 -1.828 -11.002 124 HA SER 21 HA SER 21 -9.086 0.364 -9.304 125 HB2 SER 21 1HB SER 21 -9.928 -0.344 -12.124 126 HB3 SER 21 2HB SER 21 -10.286 1.156 -11.269 127 HG SER 21 HG SER 21 -8.475 1.841 -12.062 128 H ARG 22 H ARG 22 -9.744 -2.004 -8.163 129 HA ARG 22 HA ARG 22 -12.624 -2.288 -8.721 130 HB2 ARG 22 1HB ARG 22 -10.780 -4.311 -7.434 131 HB3 ARG 22 2HB ARG 22 -12.483 -4.543 -7.805 132 HG2 ARG 22 1HG ARG 22 -10.625 -3.831 -10.016 133 HG3 ARG 22 2HG ARG 22 -10.607 -5.477 -9.378 134 HD2 ARG 22 1HD ARG 22 -13.079 -5.555 -9.737 135 HD3 ARG 22 2HD ARG 22 -12.956 -3.994 -10.548 136 HE ARG 22 HE ARG 22 -12.029 -5.040 -12.377 137 HH11 ARG 22 1HH1 ARG 22 -12.190 -7.257 -9.699 138 HH12 ARG 22 2HH1 ARG 22 -11.794 -8.646 -10.656 139 HH21 ARG 22 1HH2 ARG 22 -11.507 -6.860 -13.649 140 HH22 ARG 22 2HH2 ARG 22 -11.405 -8.419 -12.902 141 H ARG 23 H ARG 23 -13.911 -2.953 -6.762 142 HA ARG 23 HA ARG 23 -13.941 -1.019 -4.838 143 HB2 ARG 23 1HB ARG 23 -14.790 -3.900 -4.484 144 HB3 ARG 23 2HB ARG 23 -15.290 -2.558 -3.464 145 HG2 ARG 23 1HG ARG 23 -15.819 -2.579 -6.415 146 HG3 ARG 23 2HG ARG 23 -16.911 -3.348 -5.261 147 HD2 ARG 23 1HD ARG 23 -17.778 -1.189 -5.589 148 HD3 ARG 23 2HD ARG 23 -16.942 -1.121 -4.039 149 HE ARG 23 HE ARG 23 -15.275 -0.323 -6.222 150 HH11 ARG 23 1HH1 ARG 23 -17.748 0.747 -4.017 151 HH12 ARG 23 2HH1 ARG 23 -17.296 2.418 -4.116 152 HH21 ARG 23 1HH2 ARG 23 -14.671 1.871 -6.361 153 HH22 ARG 23 2HH2 ARG 23 -15.546 3.055 -5.450 154 H CYS 24 H CYS 24 -12.199 -4.093 -4.736 155 HA CYS 24 HA CYS 24 -10.867 -3.189 -2.270 156 HB2 CYS 24 1HB CYS 24 -10.312 -5.589 -1.910 157 HB3 CYS 24 2HB CYS 24 -12.043 -5.274 -1.927 158 HG CYS 24 HG CYS 24 -12.283 -6.140 -4.650 159 H SER 25 H SER 25 -8.799 -2.637 -2.400 160 HA SER 25 HA SER 25 -7.374 -2.941 -4.885 161 HB2 SER 25 1HB SER 25 -6.938 -1.482 -2.326 162 HB3 SER 25 2HB SER 25 -5.513 -1.870 -3.291 163 HG SER 25 HG SER 25 -6.360 0.142 -3.894 164 H GLN 26 H GLN 26 -5.183 -3.816 -4.998 165 HA GLN 26 HA GLN 26 -4.798 -6.080 -3.152 166 HB2 GLN 26 1HB GLN 26 -5.490 -6.509 -5.639 167 HB3 GLN 26 2HB GLN 26 -3.802 -6.144 -5.976 168 HG2 GLN 26 1HG GLN 26 -3.037 -8.001 -4.810 169 HG3 GLN 26 2HG GLN 26 -4.549 -8.185 -3.923 170 HE21 GLN 26 1HE2 GLN 26 -5.580 -9.943 -4.510 171 HE22 GLN 26 2HE2 GLN 26 -5.693 -10.578 -6.112 172 H VAL 27 H VAL 27 -2.900 -6.185 -2.135 173 HA VAL 27 HA VAL 27 -0.570 -4.827 -3.270 174 HB VAL 27 HB VAL 27 -1.211 -4.457 -0.358 175 HG11 VAL 27 1HG1 VAL 27 0.756 -3.383 -2.312 176 HG12 VAL 27 2HG1 VAL 27 0.214 -2.327 -1.005 177 HG13 VAL 27 3HG1 VAL 27 0.980 -3.871 -0.632 178 HG21 VAL 27 1HG2 VAL 27 -1.844 -2.056 -1.262 179 HG22 VAL 27 2HG2 VAL 27 -2.301 -2.974 -2.697 180 HG23 VAL 27 3HG2 VAL 27 -3.048 -3.340 -1.141 181 H LYS 28 H LYS 28 1.453 -5.520 -2.363 182 HA LYS 28 HA LYS 28 1.384 -8.308 -1.577 183 HB2 LYS 28 1HB LYS 28 3.771 -6.513 -2.044 184 HB3 LYS 28 2HB LYS 28 3.790 -8.267 -1.924 185 HG2 LYS 28 1HG LYS 28 2.256 -6.796 -4.048 186 HG3 LYS 28 2HG LYS 28 3.934 -7.310 -4.247 187 HD2 LYS 28 1HD LYS 28 2.922 -9.628 -3.448 188 HD3 LYS 28 2HD LYS 28 1.445 -8.930 -4.117 189 HE2 LYS 28 1HE LYS 28 4.027 -8.989 -5.653 190 HE3 LYS 28 2HE LYS 28 2.893 -10.339 -5.678 191 HZ1 LYS 28 1HZ LYS 28 2.558 -8.816 -7.539 192 HZ2 LYS 28 2HZ LYS 28 2.241 -7.551 -6.463 193 HZ3 LYS 28 3HZ LYS 28 1.195 -8.878 -6.539 194 H LEU 29 H LEU 29 1.732 -9.091 0.409 195 HA LEU 29 HA LEU 29 1.999 -7.237 2.607 196 HB2 LEU 29 1HB LEU 29 0.563 -9.415 2.428 197 HB3 LEU 29 2HB LEU 29 2.055 -10.204 2.933 198 HG LEU 29 HG LEU 29 1.958 -8.455 4.884 199 HD11 LEU 29 1HD1 LEU 29 -0.836 -8.626 5.148 200 HD12 LEU 29 2HD1 LEU 29 -0.518 -7.989 3.535 201 HD13 LEU 29 3HD1 LEU 29 0.151 -7.177 4.951 202 HD21 LEU 29 1HD2 LEU 29 0.319 -10.122 6.052 203 HD22 LEU 29 2HD2 LEU 29 1.915 -10.663 5.529 204 HD23 LEU 29 3HD2 LEU 29 0.493 -11.034 4.552 205 H GLY 30 H GLY 30 3.775 -6.844 3.798 206 HA2 GLY 30 1HA GLY 30 5.906 -7.099 4.667 207 HA3 GLY 30 2HA GLY 30 5.992 -8.675 3.895 208 H SER 31 H SER 31 5.058 -6.388 1.651 209 HA SER 31 HA SER 31 7.837 -5.856 0.842 210 HB2 SER 31 1HB SER 31 5.583 -6.678 -1.005 211 HB3 SER 31 2HB SER 31 7.225 -6.265 -1.500 212 HG SER 31 HG SER 31 6.575 -8.602 -1.130 213 H ALA 32 H ALA 32 8.204 -3.756 0.664 214 HA ALA 32 HA ALA 32 6.397 -1.728 1.030 215 HB1 ALA 32 1HB ALA 32 8.331 -0.669 -0.707 216 HB2 ALA 32 2HB ALA 32 8.320 -0.621 1.057 217 HB3 ALA 32 3HB ALA 32 9.138 -1.939 0.215 218 H ALA 33 H ALA 33 4.650 -1.182 -0.084 219 HA ALA 33 HA ALA 33 4.750 -1.341 -3.026 220 HB1 ALA 33 1HB ALA 33 2.191 -1.678 -1.512 221 HB2 ALA 33 2HB ALA 33 2.597 -2.194 -3.149 222 HB3 ALA 33 3HB ALA 33 3.275 -3.046 -1.761 223 H ASP 34 H ASP 34 3.808 0.323 -4.180 224 HA ASP 34 HA ASP 34 3.463 2.801 -2.705 225 HB2 ASP 34 1HB ASP 34 3.173 3.662 -5.168 226 HB3 ASP 34 2HB ASP 34 4.768 3.214 -4.570 227 H PHE 35 H PHE 35 1.616 4.061 -2.700 228 HA PHE 35 HA PHE 35 -0.823 2.763 -3.726 229 HB2 PHE 35 1HB PHE 35 -0.393 4.226 -1.119 230 HB3 PHE 35 2HB PHE 35 -1.991 3.870 -1.766 231 HD1 PHE 35 1HD PHE 35 1.179 2.270 -0.694 232 HD2 PHE 35 2HD PHE 35 -2.999 1.811 -1.368 233 HE1 PHE 35 1HE PHE 35 1.259 0.044 0.352 234 HE2 PHE 35 2HE PHE 35 -2.926 -0.415 -0.321 235 HZ PHE 35 HZ PHE 35 -0.796 -1.301 0.540 236 H LEU 36 H LEU 36 -1.616 3.912 -5.352 237 HA LEU 36 HA LEU 36 -1.040 6.734 -5.613 238 HB2 LEU 36 1HB LEU 36 -1.173 4.908 -7.469 239 HB3 LEU 36 2HB LEU 36 -2.905 5.232 -7.403 240 HG LEU 36 HG LEU 36 -2.236 7.692 -7.800 241 HD11 LEU 36 1HD1 LEU 36 0.003 7.132 -9.405 242 HD12 LEU 36 2HD1 LEU 36 0.331 6.431 -7.821 243 HD13 LEU 36 3HD1 LEU 36 -0.072 8.142 -7.961 244 HD21 LEU 36 1HD2 LEU 36 -3.424 6.353 -9.431 245 HD22 LEU 36 2HD2 LEU 36 -1.916 5.601 -9.950 246 HD23 LEU 36 3HD2 LEU 36 -2.186 7.321 -10.232 247 H LEU 37 H LEU 37 -2.188 8.052 -4.338 248 HA LEU 37 HA LEU 37 -5.114 7.707 -4.293 249 HB2 LEU 37 1HB LEU 37 -5.231 8.204 -2.068 250 HB3 LEU 37 2HB LEU 37 -3.695 7.342 -2.128 251 HG LEU 37 HG LEU 37 -3.873 10.345 -2.206 252 HD11 LEU 37 1HD1 LEU 37 -3.233 10.191 0.225 253 HD12 LEU 37 2HD1 LEU 37 -3.728 8.500 0.164 254 HD13 LEU 37 3HD1 LEU 37 -4.904 9.774 -0.155 255 HD21 LEU 37 1HD2 LEU 37 -1.673 8.359 -1.683 256 HD22 LEU 37 2HD2 LEU 37 -1.534 10.077 -1.309 257 HD23 LEU 37 3HD2 LEU 37 -1.775 9.553 -2.977 258 H ASP 38 H ASP 38 -6.382 9.534 -4.507 259 HA ASP 38 HA ASP 38 -5.037 11.826 -5.699 260 HB2 ASP 38 1HB ASP 38 -7.438 12.541 -6.184 261 HB3 ASP 38 2HB ASP 38 -6.875 11.077 -6.986 262 H ILE 39 H ILE 39 -4.202 13.079 -4.103 263 HA ILE 39 HA ILE 39 -6.123 14.168 -2.151 264 HB ILE 39 HB ILE 39 -4.052 14.519 -0.672 265 HG12 ILE 39 1HG1 ILE 39 -2.940 12.122 -2.073 266 HG13 ILE 39 2HG1 ILE 39 -2.601 13.720 -2.727 267 HG21 ILE 39 1HG2 ILE 39 -4.238 12.201 0.234 268 HG22 ILE 39 2HG2 ILE 39 -5.786 13.001 -0.033 269 HG23 ILE 39 3HG2 ILE 39 -5.213 11.785 -1.175 270 HD11 ILE 39 1HD1 ILE 39 -1.125 12.448 -0.832 271 HD12 ILE 39 2HD1 ILE 39 -1.133 14.188 -1.116 272 HD13 ILE 39 3HD1 ILE 39 -2.149 13.496 0.148 273 H SER 40 H SER 40 -6.444 16.267 -2.416 274 HA SER 40 HA SER 40 -4.669 17.834 -4.068 275 HB2 SER 40 1HB SER 40 -7.150 18.053 -4.200 276 HB3 SER 40 2HB SER 40 -7.145 18.719 -2.567 277 HG SER 40 HG SER 40 -7.039 20.175 -4.563 278 H GLU 41 H GLU 41 -3.335 16.981 -1.807 279 HA GLU 41 HA GLU 41 -2.907 19.529 -0.402 280 HB2 GLU 41 1HB GLU 41 -3.317 16.803 0.749 281 HB3 GLU 41 2HB GLU 41 -2.210 17.902 1.560 282 HG2 GLU 41 1HG GLU 41 -4.548 17.912 2.432 283 HG3 GLU 41 2HG GLU 41 -3.922 19.488 1.951 284 H THR 42 H THR 42 -0.944 20.243 -0.859 285 HA THR 42 HA THR 42 1.151 18.343 -1.605 286 HB THR 42 HB THR 42 2.416 20.352 -2.339 287 HG1 THR 42 1HG THR 42 1.230 22.347 -2.396 288 HG21 THR 42 1HG2 THR 42 0.815 20.984 -4.203 289 HG22 THR 42 2HG2 THR 42 -0.360 19.921 -3.427 290 HG23 THR 42 3HG2 THR 42 1.161 19.264 -4.030 291 H ASP 43 H ASP 43 3.447 19.481 -0.969 292 HA ASP 43 HA ASP 43 4.952 19.927 0.684 293 HB2 ASP 43 1HB ASP 43 2.630 20.696 2.454 294 HB3 ASP 43 2HB ASP 43 4.309 21.210 2.592 295 H LEU 44 H LEU 44 4.305 17.346 0.336 296 HA LEU 44 HA LEU 44 3.224 15.755 2.203 297 HB2 LEU 44 1HB LEU 44 6.008 15.267 1.172 298 HB3 LEU 44 2HB LEU 44 4.823 14.063 1.671 299 HG LEU 44 HG LEU 44 3.444 15.150 -0.323 300 HD11 LEU 44 1HD1 LEU 44 5.693 15.265 -1.987 301 HD12 LEU 44 2HD1 LEU 44 6.060 16.293 -0.603 302 HD13 LEU 44 3HD1 LEU 44 4.603 16.583 -1.554 303 HD21 LEU 44 1HD2 LEU 44 4.706 12.788 0.121 304 HD22 LEU 44 2HD2 LEU 44 5.530 13.350 -1.334 305 HD23 LEU 44 3HD2 LEU 44 3.775 13.170 -1.329 306 H SER 45 H SER 45 6.381 17.336 2.518 307 HA SER 45 HA SER 45 7.171 16.225 4.944 308 HB2 SER 45 1HB SER 45 8.537 17.705 3.388 309 HB3 SER 45 2HB SER 45 7.728 19.081 4.135 310 HG SER 45 HG SER 45 8.897 17.191 5.820 311 H SER 46 H SER 46 5.397 19.257 4.364 312 HA SER 46 HA SER 46 5.066 20.017 7.022 313 HB2 SER 46 1HB SER 46 3.485 20.559 4.523 314 HB3 SER 46 2HB SER 46 2.935 21.171 6.083 315 HG SER 46 HG SER 46 5.597 21.599 5.318 316 H LEU 47 H LEU 47 3.513 17.532 5.201 317 HA LEU 47 HA LEU 47 1.377 17.232 7.170 318 HB2 LEU 47 1HB LEU 47 1.909 15.659 4.655 319 HB3 LEU 47 2HB LEU 47 0.466 15.562 5.661 320 HG LEU 47 HG LEU 47 1.325 17.982 4.074 321 HD11 LEU 47 1HD1 LEU 47 0.025 15.595 3.251 322 HD12 LEU 47 2HD1 LEU 47 0.350 17.055 2.317 323 HD13 LEU 47 3HD1 LEU 47 -1.154 16.907 3.227 324 HD21 LEU 47 1HD2 LEU 47 -0.781 17.476 6.079 325 HD22 LEU 47 2HD2 LEU 47 -1.278 18.352 4.630 326 HD23 LEU 47 3HD2 LEU 47 0.031 18.978 5.634 327 H THR 48 H THR 48 0.932 15.080 8.064 328 HA THR 48 HA THR 48 3.442 13.696 8.722 329 HB THR 48 HB THR 48 0.927 13.277 10.287 330 HG1 THR 48 1HG THR 48 1.004 15.477 10.348 331 HG21 THR 48 1HG2 THR 48 2.597 13.109 12.141 332 HG22 THR 48 2HG2 THR 48 3.873 13.309 10.940 333 HG23 THR 48 3HG2 THR 48 2.809 11.905 10.871 334 H ALA 49 H ALA 49 3.457 11.395 8.866 335 HA ALA 49 HA ALA 49 1.293 10.060 7.381 336 HB1 ALA 49 1HB ALA 49 2.769 8.878 6.035 337 HB2 ALA 49 2HB ALA 49 3.486 10.490 6.093 338 HB3 ALA 49 3HB ALA 49 4.144 9.195 7.093 339 H SER 50 H SER 50 0.404 8.445 8.477 340 HA SER 50 HA SER 50 2.027 6.756 10.198 341 HB2 SER 50 1HB SER 50 0.954 8.816 11.470 342 HB3 SER 50 2HB SER 50 -0.489 7.803 11.427 343 HG SER 50 HG SER 50 0.948 6.118 12.325 344 H ILE 51 H ILE 51 1.266 4.696 10.359 345 HA ILE 51 HA ILE 51 -1.435 4.106 9.404 346 HB ILE 51 HB ILE 51 1.052 2.815 8.277 347 HG12 ILE 51 1HG1 ILE 51 -1.117 4.485 6.986 348 HG13 ILE 51 2HG1 ILE 51 0.545 4.988 7.276 349 HG21 ILE 51 1HG2 ILE 51 -1.604 1.790 8.594 350 HG22 ILE 51 2HG2 ILE 51 -1.235 1.978 6.880 351 HG23 ILE 51 3HG2 ILE 51 -0.182 1.007 7.907 352 HD11 ILE 51 1HD1 ILE 51 -0.568 3.547 5.062 353 HD12 ILE 51 2HD1 ILE 51 1.037 4.257 5.250 354 HD13 ILE 51 3HD1 ILE 51 0.727 2.617 5.817 355 H LYS 52 H LYS 52 -2.398 2.473 10.473 356 HA LYS 52 HA LYS 52 -0.741 0.670 12.089 357 HB2 LYS 52 1HB LYS 52 -1.414 2.311 13.678 358 HB3 LYS 52 2HB LYS 52 -3.060 2.335 13.059 359 HG2 LYS 52 1HG LYS 52 -3.373 1.081 14.926 360 HG3 LYS 52 2HG LYS 52 -2.995 -0.203 13.776 361 HD2 LYS 52 1HD LYS 52 -1.544 -0.792 15.424 362 HD3 LYS 52 2HD LYS 52 -0.517 0.367 14.579 363 HE2 LYS 52 1HE LYS 52 -2.319 1.163 16.850 364 HE3 LYS 52 2HE LYS 52 -0.673 0.588 17.110 365 HZ1 LYS 52 1HZ LYS 52 -0.107 2.416 15.375 366 HZ2 LYS 52 2HZ LYS 52 -0.366 2.842 16.992 367 HZ3 LYS 52 3HZ LYS 52 -1.590 3.077 15.849 368 H ALA 53 H ALA 53 -1.242 -1.368 11.663 369 HA ALA 53 HA ALA 53 -3.390 -2.134 10.018 370 HB1 ALA 53 1HB ALA 53 -2.057 -3.901 9.859 371 HB2 ALA 53 2HB ALA 53 -1.155 -3.406 11.292 372 HB3 ALA 53 3HB ALA 53 -2.600 -4.404 11.461 373 HA PRO 54 HA PRO 54 -6.811 -2.837 12.673 374 HB2 PRO 54 1HB PRO 54 -7.726 -5.282 11.925 375 HB3 PRO 54 2HB PRO 54 -7.893 -3.843 10.913 376 HG2 PRO 54 1HG PRO 54 -5.870 -6.044 10.756 377 HG3 PRO 54 2HG PRO 54 -6.753 -5.240 9.444 378 HD2 PRO 54 1HD PRO 54 -4.193 -4.620 10.072 379 HD3 PRO 54 2HD PRO 54 -5.338 -3.420 9.439 380 H SER 55 H SER 55 -4.130 -4.948 12.833 381 HA SER 55 HA SER 55 -5.160 -6.337 15.194 382 HB2 SER 55 1HB SER 55 -2.980 -7.635 14.983 383 HB3 SER 55 2HB SER 55 -4.128 -7.835 13.658 384 HG SER 55 HG SER 55 -1.904 -7.439 13.017 385 H GLY 56 H GLY 56 -3.960 -3.445 14.761 386 HA2 GLY 56 1HA GLY 56 -3.039 -1.956 16.269 387 HA3 GLY 56 2HA GLY 56 -2.846 -3.286 17.402 388 H ARG 57 H ARG 57 -1.543 -3.618 14.218 389 HA ARG 57 HA ARG 57 1.160 -3.415 15.355 390 HB2 ARG 57 1HB ARG 57 0.297 -4.788 12.804 391 HB3 ARG 57 2HB ARG 57 1.885 -4.865 13.552 392 HG2 ARG 57 1HG ARG 57 0.970 -6.058 15.449 393 HG3 ARG 57 2HG ARG 57 -0.656 -5.918 14.776 394 HD2 ARG 57 1HD ARG 57 0.231 -8.121 14.323 395 HD3 ARG 57 2HD ARG 57 0.073 -7.219 12.816 396 HE ARG 57 HE ARG 57 2.353 -7.287 12.569 397 HH11 ARG 57 1HH1 ARG 57 1.510 -8.223 15.815 398 HH12 ARG 57 2HH1 ARG 57 3.113 -8.741 16.221 399 HH21 ARG 57 1HH2 ARG 57 4.467 -7.965 13.092 400 HH22 ARG 57 2HH2 ARG 57 4.794 -8.592 14.673 401 H ASP 58 H ASP 58 2.023 -1.474 15.007 402 HA ASP 58 HA ASP 58 1.260 0.310 12.972 403 HB2 ASP 58 1HB ASP 58 2.276 1.434 14.696 404 HB3 ASP 58 2HB ASP 58 3.476 0.171 14.955 405 H GLU 59 H GLU 59 2.407 1.020 11.115 406 HA GLU 59 HA GLU 59 4.385 -0.886 10.064 407 HB2 GLU 59 1HB GLU 59 2.182 0.333 8.398 408 HB3 GLU 59 2HB GLU 59 3.338 -0.894 7.904 409 HG2 GLU 59 1HG GLU 59 1.548 -2.222 8.292 410 HG3 GLU 59 2HG GLU 59 2.244 -2.219 9.911 411 HA PRO 60 HA PRO 60 6.743 2.733 9.198 412 HB2 PRO 60 1HB PRO 60 8.443 1.684 7.360 413 HB3 PRO 60 2HB PRO 60 8.561 1.333 9.088 414 HG2 PRO 60 1HG PRO 60 7.334 -0.303 6.902 415 HG3 PRO 60 2HG PRO 60 8.362 -0.827 8.248 416 HD2 PRO 60 1HD PRO 60 5.670 -1.114 8.276 417 HD3 PRO 60 2HD PRO 60 6.615 -0.824 9.750 418 H CYS 61 H CYS 61 5.240 4.082 8.182 419 HA CYS 61 HA CYS 61 5.008 3.803 5.263 420 HB2 CYS 61 1HB CYS 61 2.942 4.927 5.354 421 HB3 CYS 61 2HB CYS 61 2.914 3.847 6.744 422 HG CYS 61 HG CYS 61 3.829 6.037 8.455 423 H LEU 62 H LEU 62 5.421 5.550 3.919 424 HA LEU 62 HA LEU 62 6.449 8.004 5.127 425 HB2 LEU 62 1HB LEU 62 8.264 6.207 4.567 426 HB3 LEU 62 2HB LEU 62 8.008 6.752 2.910 427 HG LEU 62 HG LEU 62 9.932 7.857 3.884 428 HD11 LEU 62 1HD1 LEU 62 8.261 9.045 2.342 429 HD12 LEU 62 2HD1 LEU 62 9.431 10.030 3.218 430 HD13 LEU 62 3HD1 LEU 62 7.766 9.925 3.788 431 HD21 LEU 62 1HD2 LEU 62 8.133 9.188 5.881 432 HD22 LEU 62 2HD2 LEU 62 9.896 9.116 5.848 433 HD23 LEU 62 3HD2 LEU 62 8.961 7.675 6.254 434 H LEU 63 H LEU 63 5.586 9.703 4.146 435 HA LEU 63 HA LEU 63 4.086 9.396 1.716 436 HB2 LEU 63 1HB LEU 63 4.561 11.561 3.690 437 HB3 LEU 63 2HB LEU 63 4.028 12.028 2.077 438 HG LEU 63 HG LEU 63 2.519 10.012 3.715 439 HD11 LEU 63 1HD1 LEU 63 1.150 12.435 3.838 440 HD12 LEU 63 2HD1 LEU 63 2.820 12.828 4.246 441 HD13 LEU 63 3HD1 LEU 63 1.955 11.595 5.163 442 HD21 LEU 63 1HD2 LEU 63 1.175 11.862 1.869 443 HD22 LEU 63 2HD2 LEU 63 0.952 10.128 2.106 444 HD23 LEU 63 3HD2 LEU 63 2.284 10.718 1.111 445 H LYS 64 H LYS 64 4.673 9.883 -0.308 446 HA LYS 64 HA LYS 64 6.988 11.593 -0.787 447 HB2 LYS 64 1HB LYS 64 8.180 10.034 -2.096 448 HB3 LYS 64 2HB LYS 64 7.723 9.157 -0.643 449 HG2 LYS 64 1HG LYS 64 5.914 8.072 -1.819 450 HG3 LYS 64 2HG LYS 64 6.259 9.017 -3.270 451 HD2 LYS 64 1HD LYS 64 7.178 6.748 -3.420 452 HD3 LYS 64 2HD LYS 64 8.450 7.971 -3.449 453 HE2 LYS 64 1HE LYS 64 7.651 6.773 -0.839 454 HE3 LYS 64 2HE LYS 64 8.660 5.831 -1.937 455 HZ1 LYS 64 1HZ LYS 64 9.614 8.499 -1.678 456 HZ2 LYS 64 2HZ LYS 64 10.424 7.040 -1.403 457 HZ3 LYS 64 3HZ LYS 64 9.511 7.746 -0.167 458 H ARG 65 H ARG 65 7.076 12.472 -2.898 459 HA ARG 65 HA ARG 65 4.487 12.794 -4.106 460 HB2 ARG 65 1HB ARG 65 5.832 14.746 -4.014 461 HB3 ARG 65 2HB ARG 65 7.215 13.915 -4.713 462 HG2 ARG 65 1HG ARG 65 6.398 15.251 -6.438 463 HG3 ARG 65 2HG ARG 65 5.780 13.639 -6.801 464 HD2 ARG 65 1HD ARG 65 3.616 14.194 -6.000 465 HD3 ARG 65 2HD ARG 65 4.196 15.696 -5.283 466 HE ARG 65 HE ARG 65 3.489 15.244 -8.039 467 HH11 ARG 65 1HH1 ARG 65 5.274 17.234 -5.809 468 HH12 ARG 65 2HH1 ARG 65 5.298 18.613 -6.857 469 HH21 ARG 65 1HH2 ARG 65 3.514 17.053 -9.427 470 HH22 ARG 65 2HH2 ARG 65 4.296 18.510 -8.915 471 H LEU 66 H LEU 66 3.884 12.250 -6.216 472 HA LEU 66 HA LEU 66 5.556 10.185 -7.490 473 HB2 LEU 66 1HB LEU 66 2.575 10.358 -7.174 474 HB3 LEU 66 2HB LEU 66 3.329 9.325 -8.386 475 HG LEU 66 HG LEU 66 3.639 9.099 -5.393 476 HD11 LEU 66 1HD1 LEU 66 2.246 7.354 -7.418 477 HD12 LEU 66 2HD1 LEU 66 1.482 8.326 -6.162 478 HD13 LEU 66 3HD1 LEU 66 2.489 6.948 -5.718 479 HD21 LEU 66 1HD2 LEU 66 4.607 6.812 -6.693 480 HD22 LEU 66 2HD2 LEU 66 5.532 8.012 -5.791 481 HD23 LEU 66 3HD2 LEU 66 5.321 8.189 -7.533 482 HA PRO 67 HA PRO 67 5.525 12.527 -11.203 483 HB2 PRO 67 1HB PRO 67 5.520 10.560 -13.074 484 HB3 PRO 67 2HB PRO 67 6.933 10.937 -12.080 485 HG2 PRO 67 1HG PRO 67 4.903 8.763 -11.740 486 HG3 PRO 67 2HG PRO 67 6.665 8.684 -11.568 487 HD2 PRO 67 1HD PRO 67 5.001 8.864 -9.440 488 HD3 PRO 67 2HD PRO 67 6.624 9.582 -9.445 489 H ASN 68 H ASN 68 4.338 12.838 -13.284 490 HA ASN 68 HA ASN 68 2.431 13.115 -14.500 491 HB2 ASN 68 1HB ASN 68 2.351 10.543 -14.123 492 HB3 ASN 68 2HB ASN 68 1.087 10.917 -12.955 493 HD21 ASN 68 1HD2 ASN 68 1.881 10.527 -16.236 494 HD22 ASN 68 2HD2 ASN 68 0.337 10.921 -16.902 495 H ASN 69 H ASN 69 2.900 14.433 -11.930 496 HA ASN 69 HA ASN 69 1.853 15.842 -10.483 497 HB2 ASN 69 1HB ASN 69 0.816 16.468 -12.785 498 HB3 ASN 69 2HB ASN 69 -0.627 15.669 -12.171 499 HD21 ASN 69 1HD2 ASN 69 0.018 18.510 -12.820 500 HD22 ASN 69 2HD2 ASN 69 -0.415 19.393 -11.400 501 H HIS 70 H HIS 70 1.852 13.320 -9.571 502 HA HIS 70 HA HIS 70 -0.739 13.141 -8.207 503 HB2 HIS 70 1HB HIS 70 0.753 10.787 -9.387 504 HB3 HIS 70 2HB HIS 70 -0.691 10.680 -8.383 505 HD1 HIS 70 1HD HIS 70 -2.179 13.092 -9.848 506 HD2 HIS 70 2HD HIS 70 -0.454 9.777 -11.666 507 HE1 HIS 70 1HE HIS 70 -3.349 12.854 -12.061 508 HE2 HIS 70 2HE HIS 70 -2.349 10.791 -13.106 509 H ILE 71 H ILE 71 -0.531 11.488 -6.327 510 HA ILE 71 HA ILE 71 2.138 11.553 -5.128 511 HB ILE 71 HB ILE 71 -0.333 12.534 -3.693 512 HG12 ILE 71 1HG1 ILE 71 2.146 14.125 -4.327 513 HG13 ILE 71 2HG1 ILE 71 0.780 14.061 -5.435 514 HG21 ILE 71 1HG2 ILE 71 1.312 13.109 -1.897 515 HG22 ILE 71 2HG2 ILE 71 1.073 11.381 -2.151 516 HG23 ILE 71 3HG2 ILE 71 2.516 12.173 -2.785 517 HD11 ILE 71 1HD1 ILE 71 -0.035 15.795 -4.324 518 HD12 ILE 71 2HD1 ILE 71 -0.364 14.680 -2.998 519 HD13 ILE 71 3HD1 ILE 71 1.138 15.604 -3.021 520 H GLY 72 H GLY 72 2.459 10.018 -3.444 521 HA2 GLY 72 1HA GLY 72 0.329 8.174 -2.779 522 HA3 GLY 72 2HA GLY 72 1.578 7.493 -3.811 523 H ILE 73 H ILE 73 0.915 6.617 -1.177 524 HA ILE 73 HA ILE 73 3.262 7.461 0.378 525 HB ILE 73 HB ILE 73 1.069 7.639 1.510 526 HG12 ILE 73 1HG1 ILE 73 2.534 5.429 2.896 527 HG13 ILE 73 2HG1 ILE 73 3.364 6.953 2.604 528 HG21 ILE 73 1HG2 ILE 73 1.010 4.631 1.334 529 HG22 ILE 73 2HG2 ILE 73 -0.176 5.668 2.126 530 HG23 ILE 73 3HG2 ILE 73 0.008 5.717 0.373 531 HD11 ILE 73 1HD1 ILE 73 1.620 6.297 4.704 532 HD12 ILE 73 2HD1 ILE 73 2.380 7.852 4.364 533 HD13 ILE 73 3HD1 ILE 73 0.788 7.486 3.702 534 H SER 74 H SER 74 4.706 5.956 1.209 535 HA SER 74 HA SER 74 4.535 3.266 0.018 536 HB2 SER 74 1HB SER 74 6.360 4.686 -0.914 537 HB3 SER 74 2HB SER 74 7.054 4.800 0.703 538 HG SER 74 HG SER 74 7.367 2.865 -1.099 539 H PHE 75 H PHE 75 4.100 1.779 1.493 540 HA PHE 75 HA PHE 75 5.599 1.741 3.984 541 HB2 PHE 75 1HB PHE 75 3.763 1.738 5.442 542 HB3 PHE 75 2HB PHE 75 3.377 3.015 4.294 543 HD1 PHE 75 1HD PHE 75 1.633 2.697 2.620 544 HD2 PHE 75 2HD PHE 75 2.487 -0.288 5.532 545 HE1 PHE 75 1HE PHE 75 -0.511 1.598 2.117 546 HE2 PHE 75 2HE PHE 75 0.345 -1.391 5.034 547 HZ PHE 75 HZ PHE 75 -1.156 -0.449 3.324 548 H ILE 76 H ILE 76 5.308 -0.316 5.167 549 HA ILE 76 HA ILE 76 4.780 -2.510 3.277 550 HB ILE 76 HB ILE 76 6.548 -2.516 5.725 551 HG12 ILE 76 1HG1 ILE 76 7.550 -2.909 2.939 552 HG13 ILE 76 2HG1 ILE 76 7.191 -1.272 3.477 553 HG21 ILE 76 1HG2 ILE 76 5.298 -4.651 4.415 554 HG22 ILE 76 2HG2 ILE 76 6.981 -4.680 3.888 555 HG23 ILE 76 3HG2 ILE 76 6.595 -4.733 5.608 556 HD11 ILE 76 1HD1 ILE 76 8.716 -1.650 5.405 557 HD12 ILE 76 2HD1 ILE 76 9.162 -3.195 4.680 558 HD13 ILE 76 3HD1 ILE 76 9.506 -1.689 3.829 559 HA PRO 77 HA PRO 77 1.312 -3.187 6.082 560 HB2 PRO 77 1HB PRO 77 0.041 -4.931 4.436 561 HB3 PRO 77 2HB PRO 77 -0.046 -3.178 4.229 562 HG2 PRO 77 1HG PRO 77 1.671 -5.172 2.801 563 HG3 PRO 77 2HG PRO 77 0.771 -3.794 2.141 564 HD2 PRO 77 1HD PRO 77 3.436 -3.702 2.615 565 HD3 PRO 77 2HD PRO 77 2.388 -2.276 2.768 566 H ARG 78 H ARG 78 1.783 -4.441 7.780 567 HA ARG 78 HA ARG 78 3.158 -6.953 7.492 568 HB2 ARG 78 1HB ARG 78 1.910 -5.718 9.953 569 HB3 ARG 78 2HB ARG 78 3.041 -7.064 9.928 570 HG2 ARG 78 1HG ARG 78 3.711 -4.325 8.888 571 HG3 ARG 78 2HG ARG 78 4.020 -4.845 10.545 572 HD2 ARG 78 1HD ARG 78 5.070 -6.262 8.101 573 HD3 ARG 78 2HD ARG 78 5.979 -5.055 9.010 574 HE ARG 78 HE ARG 78 5.646 -7.783 9.689 575 HH11 ARG 78 1HH1 ARG 78 5.829 -4.605 11.098 576 HH12 ARG 78 2HH1 ARG 78 6.441 -5.171 12.618 577 HH21 ARG 78 1HH2 ARG 78 6.451 -8.541 11.684 578 HH22 ARG 78 2HH2 ARG 78 6.795 -7.410 12.950 579 H GLU 79 H GLU 79 -0.095 -5.929 7.520 580 HA GLU 79 HA GLU 79 -0.975 -8.719 7.553 581 HB2 GLU 79 1HB GLU 79 -1.814 -6.582 9.443 582 HB3 GLU 79 2HB GLU 79 -3.063 -7.666 8.846 583 HG2 GLU 79 1HG GLU 79 -0.529 -8.768 9.980 584 HG3 GLU 79 2HG GLU 79 -1.826 -8.227 11.044 585 H VAL 80 H VAL 80 -3.560 -8.579 7.127 586 HA VAL 80 HA VAL 80 -3.913 -6.745 4.846 587 HB VAL 80 HB VAL 80 -5.234 -8.492 3.722 588 HG11 VAL 80 1HG1 VAL 80 -2.488 -8.303 3.904 589 HG12 VAL 80 2HG1 VAL 80 -2.800 -10.025 4.134 590 HG13 VAL 80 3HG1 VAL 80 -3.390 -9.206 2.687 591 HG21 VAL 80 1HG2 VAL 80 -5.770 -9.660 5.934 592 HG22 VAL 80 2HG2 VAL 80 -5.459 -10.680 4.530 593 HG23 VAL 80 3HG2 VAL 80 -4.205 -10.454 5.748 594 H GLY 81 H GLY 81 -5.958 -5.880 4.520 595 HA2 GLY 81 1HA GLY 81 -8.402 -6.377 5.312 596 HA3 GLY 81 2HA GLY 81 -7.698 -5.996 6.876 597 H GLU 82 H GLU 82 -8.810 -4.145 7.312 598 HA GLU 82 HA GLU 82 -8.712 -1.981 5.337 599 HB2 GLU 82 1HB GLU 82 -10.921 -2.470 6.208 600 HB3 GLU 82 2HB GLU 82 -10.344 -2.300 7.860 601 HG2 GLU 82 1HG GLU 82 -9.872 0.071 7.433 602 HG3 GLU 82 2HG GLU 82 -10.508 -0.111 5.800 603 H HIS 83 H HIS 83 -6.794 -0.962 5.520 604 HA HIS 83 HA HIS 83 -5.716 -0.353 8.161 605 HB2 HIS 83 1HB HIS 83 -4.628 -0.179 5.365 606 HB3 HIS 83 2HB HIS 83 -3.828 0.652 6.696 607 HD1 HIS 83 1HD HIS 83 -5.156 -2.885 6.163 608 HD2 HIS 83 2HD HIS 83 -1.843 -0.882 7.670 609 HE1 HIS 83 1HE HIS 83 -3.576 -4.684 6.934 610 HE2 HIS 83 2HE HIS 83 -1.616 -3.447 7.920 611 H LEU 84 H LEU 84 -5.484 1.686 8.990 612 HA LEU 84 HA LEU 84 -6.843 3.841 7.509 613 HB2 LEU 84 1HB LEU 84 -6.673 3.237 10.445 614 HB3 LEU 84 2HB LEU 84 -7.122 4.834 9.850 615 HG LEU 84 HG LEU 84 -8.627 2.339 9.094 616 HD11 LEU 84 1HD1 LEU 84 -10.244 3.574 10.865 617 HD12 LEU 84 2HD1 LEU 84 -8.670 3.885 11.596 618 HD13 LEU 84 3HD1 LEU 84 -9.178 2.229 11.271 619 HD21 LEU 84 1HD2 LEU 84 -9.379 3.895 7.628 620 HD22 LEU 84 2HD2 LEU 84 -8.924 5.252 8.660 621 HD23 LEU 84 3HD2 LEU 84 -10.396 4.339 8.999 622 H VAL 85 H VAL 85 -5.469 5.275 6.709 623 HA VAL 85 HA VAL 85 -2.869 5.672 7.976 624 HB VAL 85 HB VAL 85 -3.856 6.894 5.402 625 HG11 VAL 85 1HG1 VAL 85 -1.866 7.875 5.278 626 HG12 VAL 85 2HG1 VAL 85 -1.569 7.354 6.937 627 HG13 VAL 85 3HG1 VAL 85 -1.035 6.352 5.587 628 HG21 VAL 85 1HG2 VAL 85 -3.847 4.822 4.566 629 HG22 VAL 85 2HG2 VAL 85 -2.092 4.889 4.722 630 HG23 VAL 85 3HG2 VAL 85 -3.064 4.158 6.000 631 H SER 86 H SER 86 -2.723 7.180 9.495 632 HA SER 86 HA SER 86 -4.608 9.370 9.617 633 HB2 SER 86 1HB SER 86 -2.210 9.005 11.407 634 HB3 SER 86 2HB SER 86 -3.730 9.823 11.767 635 HG SER 86 HG SER 86 -3.266 7.044 11.485 636 H ILE 87 H ILE 87 -4.315 11.118 8.413 637 HA ILE 87 HA ILE 87 -1.569 12.127 8.053 638 HB ILE 87 HB ILE 87 -3.810 12.548 6.083 639 HG12 ILE 87 1HG1 ILE 87 -3.380 10.169 6.150 640 HG13 ILE 87 2HG1 ILE 87 -2.662 10.832 4.686 641 HG21 ILE 87 1HG2 ILE 87 -0.846 12.766 5.638 642 HG22 ILE 87 2HG2 ILE 87 -2.154 13.381 4.628 643 HG23 ILE 87 3HG2 ILE 87 -1.824 14.123 6.194 644 HD11 ILE 87 1HD1 ILE 87 -0.769 9.849 5.256 645 HD12 ILE 87 2HD1 ILE 87 -0.660 10.947 6.633 646 HD13 ILE 87 3HD1 ILE 87 -1.432 9.372 6.819 647 H LYS 88 H LYS 88 -1.258 13.973 9.089 648 HA LYS 88 HA LYS 88 -3.410 15.969 9.118 649 HB2 LYS 88 1HB LYS 88 -1.706 15.691 11.552 650 HB3 LYS 88 2HB LYS 88 -3.347 16.305 11.399 651 HG2 LYS 88 1HG LYS 88 -4.264 14.146 11.311 652 HG3 LYS 88 2HG LYS 88 -2.690 13.402 11.012 653 HD2 LYS 88 1HD LYS 88 -1.983 14.176 13.281 654 HD3 LYS 88 2HD LYS 88 -3.645 14.700 13.562 655 HE2 LYS 88 1HE LYS 88 -4.235 12.256 12.879 656 HE3 LYS 88 2HE LYS 88 -2.548 11.934 13.273 657 HZ1 LYS 88 1HZ LYS 88 -3.934 11.534 15.182 658 HZ2 LYS 88 2HZ LYS 88 -4.583 13.093 15.097 659 HZ3 LYS 88 3HZ LYS 88 -2.950 12.878 15.483 660 H LYS 89 H LYS 89 -2.493 18.130 9.981 661 HA LYS 89 HA LYS 89 0.247 18.507 8.970 662 HB2 LYS 89 1HB LYS 89 -1.553 19.300 7.381 663 HB3 LYS 89 2HB LYS 89 -2.001 20.488 8.598 664 HG2 LYS 89 1HG LYS 89 0.329 21.369 8.493 665 HG3 LYS 89 2HG LYS 89 0.620 20.278 7.137 666 HD2 LYS 89 1HD LYS 89 -1.732 22.108 7.040 667 HD3 LYS 89 2HD LYS 89 -0.123 22.766 6.733 668 HE2 LYS 89 1HE LYS 89 0.219 21.155 4.948 669 HE3 LYS 89 2HE LYS 89 -1.348 20.418 5.286 670 HZ1 LYS 89 1HZ LYS 89 -0.723 22.907 3.908 671 HZ2 LYS 89 2HZ LYS 89 -2.099 22.919 4.892 672 HZ3 LYS 89 3HZ LYS 89 -1.972 21.800 3.630 673 H ASN 90 H ASN 90 1.433 18.960 10.712 674 HA ASN 90 HA ASN 90 2.190 19.970 12.604 675 HB2 ASN 90 1HB ASN 90 0.305 22.078 11.566 676 HB3 ASN 90 2HB ASN 90 1.223 22.312 13.050 677 HD21 ASN 90 1HD2 ASN 90 1.219 22.700 9.751 678 HD22 ASN 90 2HD2 ASN 90 2.906 22.983 9.509 679 H GLY 91 H GLY 91 -0.174 18.178 12.672 680 HA2 GLY 91 1HA GLY 91 -1.150 17.288 14.639 681 HA3 GLY 91 2HA GLY 91 -1.024 18.873 15.388 682 H ASN 92 H ASN 92 -2.245 18.841 12.192 683 HA ASN 92 HA ASN 92 -5.012 18.934 13.187 684 HB2 ASN 92 1HB ASN 92 -3.595 20.922 11.424 685 HB3 ASN 92 2HB ASN 92 -5.349 20.763 11.401 686 HD21 ASN 92 1HD2 ASN 92 -3.270 22.807 12.399 687 HD22 ASN 92 2HD2 ASN 92 -3.868 23.237 13.963 688 H HIS 93 H HIS 93 -5.804 17.090 12.349 689 HA HIS 93 HA HIS 93 -5.127 15.603 10.232 690 HB2 HIS 93 1HB HIS 93 -7.779 16.240 11.427 691 HB3 HIS 93 2HB HIS 93 -7.764 15.360 9.902 692 HD1 HIS 93 1HD HIS 93 -7.021 12.922 9.954 693 HD2 HIS 93 2HD HIS 93 -6.683 14.830 13.629 694 HE1 HIS 93 1HE HIS 93 -6.571 11.094 11.621 695 HE2 HIS 93 2HE HIS 93 -6.455 12.263 13.849 696 H VAL 94 H VAL 94 -5.668 15.443 8.016 697 HA VAL 94 HA VAL 94 -6.318 18.036 6.773 698 HB VAL 94 HB VAL 94 -5.032 17.330 4.828 699 HG11 VAL 94 1HG1 VAL 94 -2.947 17.783 5.698 700 HG12 VAL 94 2HG1 VAL 94 -3.999 18.360 6.992 701 HG13 VAL 94 3HG1 VAL 94 -3.210 16.788 7.130 702 HG21 VAL 94 1HG2 VAL 94 -5.514 14.822 5.437 703 HG22 VAL 94 2HG2 VAL 94 -4.060 15.268 4.546 704 HG23 VAL 94 3HG2 VAL 94 -3.970 14.954 6.278 705 H ALA 95 H ALA 95 -6.996 17.537 4.324 706 HA ALA 95 HA ALA 95 -9.560 16.350 4.481 707 HB1 ALA 95 1HB ALA 95 -9.691 16.787 2.072 708 HB2 ALA 95 2HB ALA 95 -9.095 18.189 2.962 709 HB3 ALA 95 3HB ALA 95 -7.971 17.177 2.055 710 H ASN 96 H ASN 96 -10.372 14.490 3.457 711 HA ASN 96 HA ASN 96 -10.373 12.277 2.924 712 HB2 ASN 96 1HB ASN 96 -7.728 12.760 1.555 713 HB3 ASN 96 2HB ASN 96 -8.974 11.588 1.134 714 HD21 ASN 96 1HD2 ASN 96 -7.725 14.646 0.549 715 HD22 ASN 96 2HD2 ASN 96 -9.003 15.259 -0.440 716 H SER 97 H SER 97 -9.214 13.018 5.429 717 HA SER 97 HA SER 97 -7.464 10.694 5.827 718 HB2 SER 97 1HB SER 97 -6.013 12.670 5.773 719 HB3 SER 97 2HB SER 97 -7.003 13.446 7.009 720 HG SER 97 HG SER 97 -6.332 11.936 8.485 721 HA PRO 98 HA PRO 98 -6.463 9.715 7.539 722 HB2 PRO 98 1HB PRO 98 -7.167 7.225 8.360 723 HB3 PRO 98 2HB PRO 98 -6.599 8.477 9.471 724 HG2 PRO 98 1HG PRO 98 -9.400 7.606 8.871 725 HG3 PRO 98 2HG PRO 98 -8.655 7.982 10.436 726 HD2 PRO 98 1HD PRO 98 -10.244 9.736 9.120 727 HD3 PRO 98 2HD PRO 98 -8.891 10.257 10.144 728 H VAL 99 H VAL 99 -5.847 8.331 5.869 729 HA VAL 99 HA VAL 99 -7.849 7.936 3.817 730 HB VAL 99 HB VAL 99 -4.931 7.171 3.716 731 HG11 VAL 99 1HG1 VAL 99 -6.781 6.375 2.013 732 HG12 VAL 99 2HG1 VAL 99 -6.534 7.992 1.349 733 HG13 VAL 99 3HG1 VAL 99 -5.179 6.868 1.464 734 HG21 VAL 99 1HG2 VAL 99 -4.352 9.292 3.023 735 HG22 VAL 99 2HG2 VAL 99 -5.999 9.701 2.541 736 HG23 VAL 99 3HG2 VAL 99 -5.569 9.646 4.250 737 H SER 100 H SER 100 -8.989 6.138 3.594 738 HA SER 100 HA SER 100 -8.291 3.757 5.071 739 HB2 SER 100 1HB SER 100 -10.434 2.896 4.342 740 HB3 SER 100 2HB SER 100 -10.646 4.568 4.860 741 HG SER 100 HG SER 100 -11.140 3.465 2.460 742 H ILE 101 H ILE 101 -7.346 1.970 4.307 743 HA ILE 101 HA ILE 101 -7.057 1.675 1.392 744 HB ILE 101 HB ILE 101 -4.903 1.199 3.454 745 HG12 ILE 101 1HG1 ILE 101 -5.035 3.152 1.146 746 HG13 ILE 101 2HG1 ILE 101 -5.270 3.571 2.840 747 HG21 ILE 101 1HG2 ILE 101 -3.810 1.014 0.900 748 HG22 ILE 101 2HG2 ILE 101 -4.084 -0.305 2.038 749 HG23 ILE 101 3HG2 ILE 101 -5.305 0.081 0.826 750 HD11 ILE 101 1HD1 ILE 101 -3.097 4.057 2.808 751 HD12 ILE 101 2HD1 ILE 101 -2.854 2.313 2.897 752 HD13 ILE 101 3HD1 ILE 101 -2.813 3.130 1.335 753 H MET 102 H MET 102 -7.130 -0.403 0.588 754 HA MET 102 HA MET 102 -7.972 -2.461 2.513 755 HB2 MET 102 1HB MET 102 -9.654 -1.860 0.823 756 HB3 MET 102 2HB MET 102 -8.518 -2.273 -0.454 757 HG2 MET 102 1HG MET 102 -9.761 -4.179 -0.374 758 HG3 MET 102 2HG MET 102 -8.474 -4.592 0.758 759 HE1 MET 102 1HE MET 102 -8.956 -5.095 3.418 760 HE2 MET 102 2HE MET 102 -10.469 -6.000 3.462 761 HE3 MET 102 3HE MET 102 -9.326 -6.257 2.144 762 H VAL 103 H VAL 103 -6.512 -3.963 2.958 763 HA VAL 103 HA VAL 103 -4.466 -4.591 0.935 764 HB VAL 103 HB VAL 103 -4.369 -4.974 3.931 765 HG11 VAL 103 1HG1 VAL 103 -3.174 -6.729 2.646 766 HG12 VAL 103 2HG1 VAL 103 -2.198 -5.464 1.897 767 HG13 VAL 103 3HG1 VAL 103 -2.107 -5.734 3.638 768 HG21 VAL 103 1HG2 VAL 103 -2.589 -3.267 3.830 769 HG22 VAL 103 2HG2 VAL 103 -2.921 -3.049 2.113 770 HG23 VAL 103 3HG2 VAL 103 -4.154 -2.644 3.307 771 H VAL 104 H VAL 104 -4.289 -6.608 0.152 772 HA VAL 104 HA VAL 104 -5.560 -8.836 1.544 773 HB VAL 104 HB VAL 104 -6.695 -9.611 -0.511 774 HG11 VAL 104 1HG1 VAL 104 -8.607 -8.231 -0.293 775 HG12 VAL 104 2HG1 VAL 104 -7.820 -8.240 1.287 776 HG13 VAL 104 3HG1 VAL 104 -7.639 -6.848 0.218 777 HG21 VAL 104 1HG2 VAL 104 -6.935 -7.195 -1.948 778 HG22 VAL 104 2HG2 VAL 104 -5.213 -7.466 -1.681 779 HG23 VAL 104 3HG2 VAL 104 -6.188 -8.703 -2.475 780 H GLN 105 H GLN 105 -4.477 -10.714 1.305 781 HA GLN 105 HA GLN 105 -1.905 -10.700 0.127 782 HB2 GLN 105 1HB GLN 105 -2.051 -13.221 0.593 783 HB3 GLN 105 2HB GLN 105 -2.144 -12.129 1.967 784 HG2 GLN 105 1HG GLN 105 -4.677 -12.993 0.680 785 HG3 GLN 105 2HG GLN 105 -3.806 -14.147 1.688 786 HE21 GLN 105 1HE2 GLN 105 -2.934 -12.927 3.775 787 HE22 GLN 105 2HE2 GLN 105 -4.169 -12.088 4.645 788 H SER 106 H SER 106 -1.187 -11.367 -1.814 789 HA SER 106 HA SER 106 -3.192 -12.421 -3.698 790 HB2 SER 106 1HB SER 106 -1.935 -11.352 -5.488 791 HB3 SER 106 2HB SER 106 -2.329 -10.158 -4.252 792 HG SER 106 HG SER 106 -0.138 -10.038 -4.953 793 H GLU 107 H GLU 107 -2.204 -13.717 -5.519 794 HA GLU 107 HA GLU 107 -0.038 -15.424 -4.479 795 HB2 GLU 107 1HB GLU 107 -2.160 -16.615 -4.405 796 HB3 GLU 107 2HB GLU 107 -2.458 -16.238 -6.096 797 HG2 GLU 107 1HG GLU 107 -1.722 -18.439 -6.126 798 HG3 GLU 107 2HG GLU 107 -0.295 -17.507 -6.574 799 H ILE 108 H ILE 108 1.742 -15.211 -5.646 800 HA ILE 108 HA ILE 108 1.519 -14.452 -8.473 801 HB ILE 108 HB ILE 108 3.968 -14.418 -6.705 802 HG12 ILE 108 1HG1 ILE 108 2.436 -12.781 -5.864 803 HG13 ILE 108 2HG1 ILE 108 3.642 -11.920 -6.815 804 HG21 ILE 108 1HG2 ILE 108 4.958 -13.071 -8.489 805 HG22 ILE 108 2HG2 ILE 108 4.479 -14.662 -9.076 806 HG23 ILE 108 3HG2 ILE 108 3.487 -13.253 -9.444 807 HD11 ILE 108 1HD1 ILE 108 1.876 -12.205 -8.727 808 HD12 ILE 108 2HD1 ILE 108 0.762 -12.381 -7.370 809 HD13 ILE 108 3HD1 ILE 108 1.728 -10.915 -7.534 810 H GLY 109 H GLY 109 3.620 -16.536 -6.466 811 HA2 GLY 109 1HA GLY 109 4.170 -18.774 -6.831 812 HA3 GLY 109 2HA GLY 109 3.286 -18.718 -8.349 813 H ASP 110 H ASP 110 4.326 -17.989 -10.227 814 HA ASP 110 HA ASP 110 7.093 -17.186 -10.137 815 HB2 ASP 110 1HB ASP 110 7.213 -19.668 -9.904 816 HB3 ASP 110 2HB ASP 110 6.392 -19.816 -11.456 817 H SER 111 H SER 111 7.884 -16.460 -12.168 818 HA SER 111 HA SER 111 5.798 -16.125 -14.222 819 HB2 SER 111 1HB SER 111 6.080 -13.995 -13.147 820 HB3 SER 111 2HB SER 111 7.836 -14.115 -13.246 821 HG SER 111 HG SER 111 7.580 -13.068 -15.049 822 H GLY 112 H GLY 112 6.316 -16.900 -16.157 823 HA2 GLY 112 1HA GLY 112 8.903 -16.629 -17.314 824 HA3 GLY 112 2HA GLY 112 8.646 -18.270 -16.740 825 HA PRO 113 HA PRO 113 5.309 -17.512 -20.161 826 HB2 PRO 113 1HB PRO 113 5.551 -15.225 -21.605 827 HB3 PRO 113 2HB PRO 113 4.581 -15.333 -20.131 828 HG2 PRO 113 1HG PRO 113 7.352 -14.264 -20.501 829 HG3 PRO 113 2HG PRO 113 6.014 -13.598 -19.546 830 HD2 PRO 113 1HD PRO 113 8.044 -14.999 -18.429 831 HD3 PRO 113 2HD PRO 113 6.390 -15.033 -17.784 832 H SER 114 H SER 114 8.402 -15.923 -20.949 833 HA SER 114 HA SER 114 8.845 -17.951 -23.018 834 HB2 SER 114 1HB SER 114 8.737 -14.988 -23.401 835 HB3 SER 114 2HB SER 114 9.895 -15.921 -24.349 836 HG SER 114 HG SER 114 7.948 -17.294 -24.821 837 H SER 115 H SER 115 11.118 -18.043 -23.735 838 HA SER 115 HA SER 115 12.872 -18.124 -21.526 839 HB2 SER 115 1HB SER 115 13.477 -18.271 -24.490 840 HB3 SER 115 2HB SER 115 14.615 -18.679 -23.205 841 HG SER 115 HG SER 115 12.512 -20.121 -24.216 842 H GLY 116 H GLY 116 13.000 -16.073 -24.449 843 HA2 GLY 116 1HA GLY 116 13.378 -13.631 -23.301 844 HA3 GLY 116 2HA GLY 116 14.982 -14.349 -23.274 Start of MODEL 10 1 H1 GLY 1 H GLY 1 11.401 -7.395 -9.202 2 HA2 GLY 1 1HA GLY 1 9.632 -9.209 -10.083 3 HA3 GLY 1 2HA GLY 1 9.106 -7.669 -9.421 4 H SER 2 H SER 2 10.624 -8.632 -12.500 5 HA SER 2 HA SER 2 8.634 -7.003 -13.902 6 HB2 SER 2 1HB SER 2 11.184 -8.257 -14.950 7 HB3 SER 2 2HB SER 2 10.141 -7.139 -15.827 8 HG SER 2 HG SER 2 12.120 -6.581 -14.127 9 H SER 3 H SER 3 6.851 -8.076 -14.444 10 HA SER 3 HA SER 3 6.873 -10.916 -14.936 11 HB2 SER 3 1HB SER 3 4.678 -8.840 -15.067 12 HB3 SER 3 2HB SER 3 4.418 -10.554 -15.388 13 HG SER 3 HG SER 3 4.999 -11.017 -13.287 14 H GLY 4 H GLY 4 5.916 -8.071 -16.873 15 HA2 GLY 4 1HA GLY 4 6.580 -7.718 -19.124 16 HA3 GLY 4 2HA GLY 4 6.947 -9.431 -19.256 17 H SER 5 H SER 5 5.013 -10.909 -19.102 18 HA SER 5 HA SER 5 3.170 -10.237 -21.118 19 HB2 SER 5 1HB SER 5 3.907 -12.570 -20.369 20 HB3 SER 5 2HB SER 5 2.732 -12.404 -19.063 21 HG SER 5 HG SER 5 1.287 -11.805 -20.998 22 H SER 6 H SER 6 1.758 -8.623 -20.868 23 HA SER 6 HA SER 6 -0.283 -8.857 -18.837 24 HB2 SER 6 1HB SER 6 1.604 -6.496 -18.895 25 HB3 SER 6 2HB SER 6 0.041 -6.466 -18.082 26 HG SER 6 HG SER 6 2.299 -8.063 -17.494 27 H GLY 7 H GLY 7 -2.197 -8.192 -19.607 28 HA2 GLY 7 1HA GLY 7 -3.591 -6.646 -20.789 29 HA3 GLY 7 2HA GLY 7 -2.230 -6.273 -21.836 30 H ILE 8 H ILE 8 -4.867 -8.442 -21.214 31 HA ILE 8 HA ILE 8 -4.185 -10.141 -23.478 32 HB ILE 8 HB ILE 8 -6.135 -11.463 -22.866 33 HG12 ILE 8 1HG1 ILE 8 -6.612 -9.735 -20.466 34 HG13 ILE 8 2HG1 ILE 8 -7.335 -9.287 -22.008 35 HG21 ILE 8 1HG2 ILE 8 -3.822 -11.375 -21.531 36 HG22 ILE 8 2HG2 ILE 8 -4.925 -10.990 -20.210 37 HG23 ILE 8 3HG2 ILE 8 -5.124 -12.490 -21.117 38 HD11 ILE 8 1HD1 ILE 8 -8.308 -11.613 -22.078 39 HD12 ILE 8 2HD1 ILE 8 -7.800 -11.772 -20.396 40 HD13 ILE 8 3HD1 ILE 8 -8.960 -10.526 -20.852 41 HA PRO 9 HA PRO 9 -6.695 -8.070 -26.430 42 HB2 PRO 9 1HB PRO 9 -7.425 -10.158 -28.004 43 HB3 PRO 9 2HB PRO 9 -5.790 -9.486 -27.996 44 HG2 PRO 9 1HG PRO 9 -6.846 -11.916 -26.602 45 HG3 PRO 9 2HG PRO 9 -5.319 -11.704 -27.479 46 HD2 PRO 9 1HD PRO 9 -5.473 -11.615 -24.776 47 HD3 PRO 9 2HD PRO 9 -4.298 -10.656 -25.698 48 H GLY 10 H GLY 10 -8.903 -8.421 -27.620 49 HA2 GLY 10 1HA GLY 10 -11.011 -9.894 -26.843 50 HA3 GLY 10 2HA GLY 10 -10.885 -8.737 -25.525 51 H SER 11 H SER 11 -10.217 -8.135 -28.939 52 HA SER 11 HA SER 11 -11.799 -5.775 -28.949 53 HB2 SER 11 1HB SER 11 -10.156 -7.268 -30.913 54 HB3 SER 11 2HB SER 11 -11.422 -6.239 -31.582 55 HG SER 11 HG SER 11 -10.444 -4.488 -30.797 56 HA PRO 12 HA PRO 12 -14.846 -8.304 -31.712 57 HB2 PRO 12 1HB PRO 12 -14.422 -10.977 -31.921 58 HB3 PRO 12 2HB PRO 12 -13.699 -9.800 -33.025 59 HG2 PRO 12 1HG PRO 12 -12.489 -11.160 -30.648 60 HG3 PRO 12 2HG PRO 12 -11.780 -10.857 -32.244 61 HD2 PRO 12 1HD PRO 12 -11.223 -9.319 -30.087 62 HD3 PRO 12 2HD PRO 12 -11.263 -8.668 -31.738 63 H PHE 13 H PHE 13 -13.526 -9.712 -28.802 64 HA PHE 13 HA PHE 13 -15.840 -11.184 -28.046 65 HB2 PHE 13 1HB PHE 13 -13.367 -10.267 -26.614 66 HB3 PHE 13 2HB PHE 13 -14.699 -10.980 -25.711 67 HD1 PHE 13 2HD PHE 13 -15.543 -13.282 -26.537 68 HD2 PHE 13 1HD PHE 13 -11.757 -11.625 -27.558 69 HE1 PHE 13 2HE PHE 13 -14.709 -15.531 -27.084 70 HE2 PHE 13 1HE PHE 13 -10.918 -13.871 -28.108 71 HZ PHE 13 HZ PHE 13 -12.394 -15.829 -27.871 72 H THR 14 H THR 14 -16.704 -10.605 -25.673 73 HA THR 14 HA THR 14 -18.586 -8.696 -25.827 74 HB THR 14 HB THR 14 -17.039 -9.199 -23.278 75 HG1 THR 14 1HG THR 14 -19.326 -10.611 -24.210 76 HG21 THR 14 1HG2 THR 14 -19.981 -8.729 -23.407 77 HG22 THR 14 2HG2 THR 14 -18.898 -7.345 -23.562 78 HG23 THR 14 3HG2 THR 14 -18.835 -8.358 -22.119 79 H ALA 15 H ALA 15 -15.683 -7.993 -23.886 80 HA ALA 15 HA ALA 15 -15.645 -5.289 -25.039 81 HB1 ALA 15 1HB ALA 15 -14.805 -5.095 -22.345 82 HB2 ALA 15 2HB ALA 15 -16.222 -4.370 -23.105 83 HB3 ALA 15 3HB ALA 15 -16.340 -5.965 -22.364 84 H LYS 16 H LYS 16 -13.569 -4.139 -24.579 85 HA LYS 16 HA LYS 16 -11.379 -5.722 -25.395 86 HB2 LYS 16 1HB LYS 16 -11.372 -2.940 -24.206 87 HB3 LYS 16 2HB LYS 16 -10.041 -3.685 -25.083 88 HG2 LYS 16 1HG LYS 16 -12.692 -3.460 -26.417 89 HG3 LYS 16 2HG LYS 16 -11.679 -2.022 -26.269 90 HD2 LYS 16 1HD LYS 16 -10.556 -4.590 -27.336 91 HD3 LYS 16 2HD LYS 16 -11.460 -3.494 -28.384 92 HE2 LYS 16 1HE LYS 16 -9.067 -2.690 -26.736 93 HE3 LYS 16 2HE LYS 16 -8.991 -3.156 -28.435 94 HZ1 LYS 16 1HZ LYS 16 -9.125 -0.869 -28.527 95 HZ2 LYS 16 2HZ LYS 16 -10.203 -0.757 -27.228 96 HZ3 LYS 16 3HZ LYS 16 -10.744 -1.315 -28.731 97 H ILE 17 H ILE 17 -12.180 -4.228 -22.272 98 HA ILE 17 HA ILE 17 -10.422 -6.191 -20.976 99 HB ILE 17 HB ILE 17 -10.515 -3.259 -20.257 100 HG12 ILE 17 1HG1 ILE 17 -8.144 -4.823 -21.271 101 HG13 ILE 17 2HG1 ILE 17 -9.227 -3.957 -22.355 102 HG21 ILE 17 1HG2 ILE 17 -9.695 -5.616 -18.793 103 HG22 ILE 17 2HG2 ILE 17 -8.370 -4.468 -18.978 104 HG23 ILE 17 3HG2 ILE 17 -9.885 -3.952 -18.237 105 HD11 ILE 17 1HD1 ILE 17 -8.339 -1.974 -21.839 106 HD12 ILE 17 2HD1 ILE 17 -8.230 -2.357 -20.120 107 HD13 ILE 17 3HD1 ILE 17 -6.985 -2.925 -21.232 108 H THR 18 H THR 18 -11.503 -7.304 -19.502 109 HA THR 18 HA THR 18 -14.150 -6.654 -18.726 110 HB THR 18 HB THR 18 -12.291 -8.643 -17.412 111 HG1 THR 18 1HG THR 18 -12.899 -8.727 -19.846 112 HG21 THR 18 1HG2 THR 18 -14.920 -9.575 -17.390 113 HG22 THR 18 2HG2 THR 18 -15.041 -7.870 -16.955 114 HG23 THR 18 3HG2 THR 18 -14.007 -8.949 -16.018 115 H ASP 19 H ASP 19 -14.943 -5.650 -16.961 116 HA ASP 19 HA ASP 19 -13.015 -4.350 -15.188 117 HB2 ASP 19 1HB ASP 19 -15.984 -3.879 -15.535 118 HB3 ASP 19 2HB ASP 19 -14.912 -2.931 -14.508 119 H ASP 20 H ASP 20 -13.204 -4.417 -12.922 120 HA ASP 20 HA ASP 20 -14.412 -6.893 -11.938 121 HB2 ASP 20 1HB ASP 20 -12.665 -5.103 -10.281 122 HB3 ASP 20 2HB ASP 20 -12.874 -6.849 -10.185 123 H SER 21 H SER 21 -14.357 -3.416 -11.278 124 HA SER 21 HA SER 21 -15.697 -2.074 -10.013 125 HB2 SER 21 1HB SER 21 -17.759 -4.116 -10.877 126 HB3 SER 21 2HB SER 21 -18.126 -2.528 -10.205 127 HG SER 21 HG SER 21 -16.602 -1.878 -12.081 128 H ARG 22 H ARG 22 -14.237 -3.798 -8.456 129 HA ARG 22 HA ARG 22 -16.080 -4.897 -6.469 130 HB2 ARG 22 1HB ARG 22 -13.079 -5.114 -6.754 131 HB3 ARG 22 2HB ARG 22 -14.005 -5.835 -5.444 132 HG2 ARG 22 1HG ARG 22 -14.553 -6.459 -8.328 133 HG3 ARG 22 2HG ARG 22 -13.367 -7.348 -7.371 134 HD2 ARG 22 1HD ARG 22 -16.090 -6.994 -6.239 135 HD3 ARG 22 2HD ARG 22 -15.895 -8.129 -7.573 136 HE ARG 22 HE ARG 22 -13.941 -8.571 -5.562 137 HH11 ARG 22 1HH1 ARG 22 -17.302 -9.075 -6.312 138 HH12 ARG 22 2HH1 ARG 22 -17.453 -10.475 -5.303 139 HH21 ARG 22 1HH2 ARG 22 -14.126 -10.414 -4.230 140 HH22 ARG 22 2HH2 ARG 22 -15.645 -11.235 -4.119 141 H ARG 23 H ARG 23 -15.282 -4.592 -4.120 142 HA ARG 23 HA ARG 23 -14.702 -1.728 -3.737 143 HB2 ARG 23 1HB ARG 23 -16.971 -2.864 -3.002 144 HB3 ARG 23 2HB ARG 23 -16.014 -3.375 -1.618 145 HG2 ARG 23 1HG ARG 23 -16.889 -1.415 -0.836 146 HG3 ARG 23 2HG ARG 23 -15.366 -0.840 -1.518 147 HD2 ARG 23 1HD ARG 23 -16.419 0.036 -3.419 148 HD3 ARG 23 2HD ARG 23 -17.891 -0.892 -3.136 149 HE ARG 23 HE ARG 23 -17.520 0.825 -0.967 150 HH11 ARG 23 1HH1 ARG 23 -18.212 0.989 -4.375 151 HH12 ARG 23 2HH1 ARG 23 -19.106 2.469 -4.255 152 HH21 ARG 23 1HH2 ARG 23 -18.694 2.773 -0.797 153 HH22 ARG 23 2HH2 ARG 23 -19.378 3.483 -2.219 154 H CYS 24 H CYS 24 -12.548 -3.365 -4.078 155 HA CYS 24 HA CYS 24 -11.181 -3.039 -1.573 156 HB2 CYS 24 1HB CYS 24 -10.438 -5.406 -1.411 157 HB3 CYS 24 2HB CYS 24 -12.164 -5.208 -1.137 158 HG CYS 24 HG CYS 24 -13.007 -6.690 -3.087 159 H SER 25 H SER 25 -8.914 -3.145 -1.774 160 HA SER 25 HA SER 25 -7.970 -3.171 -4.567 161 HB2 SER 25 1HB SER 25 -6.780 -1.644 -2.240 162 HB3 SER 25 2HB SER 25 -6.283 -1.545 -3.929 163 HG SER 25 HG SER 25 -8.436 -0.767 -4.373 164 H GLN 26 H GLN 26 -6.326 -4.482 -5.111 165 HA GLN 26 HA GLN 26 -5.416 -6.408 -3.165 166 HB2 GLN 26 1HB GLN 26 -5.975 -6.717 -5.727 167 HB3 GLN 26 2HB GLN 26 -4.289 -6.260 -5.927 168 HG2 GLN 26 1HG GLN 26 -3.508 -8.153 -4.874 169 HG3 GLN 26 2HG GLN 26 -5.018 -8.418 -4.004 170 HE21 GLN 26 1HE2 GLN 26 -4.953 -10.596 -4.714 171 HE22 GLN 26 2HE2 GLN 26 -5.438 -11.018 -6.317 172 H VAL 27 H VAL 27 -3.449 -6.545 -2.231 173 HA VAL 27 HA VAL 27 -1.290 -4.804 -3.150 174 HB VAL 27 HB VAL 27 -1.926 -4.851 -0.218 175 HG11 VAL 27 1HG1 VAL 27 -0.290 -3.126 -2.052 176 HG12 VAL 27 2HG1 VAL 27 -0.745 -2.596 -0.431 177 HG13 VAL 27 3HG1 VAL 27 0.235 -4.047 -0.642 178 HG21 VAL 27 1HG2 VAL 27 -3.949 -4.025 -1.226 179 HG22 VAL 27 2HG2 VAL 27 -3.070 -2.668 -0.520 180 HG23 VAL 27 3HG2 VAL 27 -3.033 -2.931 -2.263 181 H LYS 28 H LYS 28 0.782 -5.470 -2.512 182 HA LYS 28 HA LYS 28 0.978 -8.295 -1.934 183 HB2 LYS 28 1HB LYS 28 3.111 -6.217 -2.463 184 HB3 LYS 28 2HB LYS 28 3.410 -7.943 -2.294 185 HG2 LYS 28 1HG LYS 28 1.731 -6.641 -4.429 186 HG3 LYS 28 2HG LYS 28 3.364 -7.281 -4.630 187 HD2 LYS 28 1HD LYS 28 2.325 -9.491 -3.740 188 HD3 LYS 28 2HD LYS 28 0.791 -8.750 -4.199 189 HE2 LYS 28 1HE LYS 28 3.097 -8.888 -6.114 190 HE3 LYS 28 2HE LYS 28 1.990 -10.247 -5.914 191 HZ1 LYS 28 1HZ LYS 28 0.559 -9.246 -7.248 192 HZ2 LYS 28 2HZ LYS 28 1.637 -7.963 -7.473 193 HZ3 LYS 28 3HZ LYS 28 0.491 -7.896 -6.230 194 H LEU 29 H LEU 29 1.097 -9.087 0.051 195 HA LEU 29 HA LEU 29 1.621 -7.377 2.310 196 HB2 LEU 29 1HB LEU 29 -0.078 -9.174 2.345 197 HB3 LEU 29 2HB LEU 29 1.216 -10.363 2.212 198 HG LEU 29 HG LEU 29 2.102 -9.459 4.401 199 HD11 LEU 29 1HD1 LEU 29 -0.348 -8.507 5.435 200 HD12 LEU 29 2HD1 LEU 29 -0.006 -7.592 3.967 201 HD13 LEU 29 3HD1 LEU 29 1.181 -7.643 5.271 202 HD21 LEU 29 1HD2 LEU 29 0.337 -11.441 3.870 203 HD22 LEU 29 2HD2 LEU 29 -0.589 -10.474 5.018 204 HD23 LEU 29 3HD2 LEU 29 0.997 -11.101 5.470 205 H GLY 30 H GLY 30 3.565 -6.955 3.107 206 HA2 GLY 30 1HA GLY 30 5.640 -7.595 4.056 207 HA3 GLY 30 2HA GLY 30 5.616 -9.047 3.065 208 H SER 31 H SER 31 4.782 -6.218 1.379 209 HA SER 31 HA SER 31 7.534 -5.701 0.540 210 HB2 SER 31 1HB SER 31 7.243 -6.229 -1.686 211 HB3 SER 31 2HB SER 31 6.199 -7.444 -0.948 212 HG SER 31 HG SER 31 5.544 -5.214 -2.454 213 H ALA 32 H ALA 32 7.876 -3.652 -0.338 214 HA ALA 32 HA ALA 32 6.189 -1.601 0.604 215 HB1 ALA 32 1HB ALA 32 8.293 -1.315 -1.531 216 HB2 ALA 32 2HB ALA 32 7.698 -0.075 -0.426 217 HB3 ALA 32 3HB ALA 32 8.655 -1.421 0.193 218 H ALA 33 H ALA 33 4.285 -1.015 -0.183 219 HA ALA 33 HA ALA 33 3.836 -1.226 -3.089 220 HB1 ALA 33 1HB ALA 33 1.909 -1.618 -0.811 221 HB2 ALA 33 2HB ALA 33 1.403 -1.432 -2.491 222 HB3 ALA 33 3HB ALA 33 2.415 -2.798 -2.021 223 H ASP 34 H ASP 34 3.032 0.514 -4.164 224 HA ASP 34 HA ASP 34 2.967 3.032 -2.689 225 HB2 ASP 34 1HB ASP 34 3.034 4.094 -4.906 226 HB3 ASP 34 2HB ASP 34 4.347 2.937 -4.707 227 H PHE 35 H PHE 35 1.209 4.365 -2.561 228 HA PHE 35 HA PHE 35 -1.314 3.334 -3.680 229 HB2 PHE 35 1HB PHE 35 -0.986 4.728 -1.017 230 HB3 PHE 35 2HB PHE 35 -2.479 4.073 -1.680 231 HD1 PHE 35 1HD PHE 35 0.827 3.197 -0.311 232 HD2 PHE 35 2HD PHE 35 -3.010 1.775 -1.482 233 HE1 PHE 35 1HE PHE 35 1.299 1.041 0.776 234 HE2 PHE 35 2HE PHE 35 -2.546 -0.383 -0.396 235 HZ PHE 35 HZ PHE 35 -0.389 -0.752 0.736 236 H LEU 36 H LEU 36 -1.855 4.674 -5.279 237 HA LEU 36 HA LEU 36 -1.187 7.491 -5.157 238 HB2 LEU 36 1HB LEU 36 -0.962 6.141 -7.236 239 HB3 LEU 36 2HB LEU 36 -2.717 5.986 -7.272 240 HG LEU 36 HG LEU 36 -2.607 8.624 -7.259 241 HD11 LEU 36 1HD1 LEU 36 0.121 7.754 -8.099 242 HD12 LEU 36 2HD1 LEU 36 -0.366 9.124 -7.102 243 HD13 LEU 36 3HD1 LEU 36 -0.616 9.171 -8.847 244 HD21 LEU 36 1HD2 LEU 36 -3.589 7.161 -8.996 245 HD22 LEU 36 2HD2 LEU 36 -1.994 7.011 -9.733 246 HD23 LEU 36 3HD2 LEU 36 -2.790 8.585 -9.661 247 H LEU 37 H LEU 37 -2.463 8.872 -4.132 248 HA LEU 37 HA LEU 37 -5.378 8.487 -4.306 249 HB2 LEU 37 1HB LEU 37 -5.692 9.017 -2.074 250 HB3 LEU 37 2HB LEU 37 -4.263 7.986 -2.048 251 HG LEU 37 HG LEU 37 -4.235 11.000 -1.881 252 HD11 LEU 37 1HD1 LEU 37 -5.153 10.264 0.144 253 HD12 LEU 37 2HD1 LEU 37 -3.433 10.464 0.476 254 HD13 LEU 37 3HD1 LEU 37 -4.098 8.852 0.212 255 HD21 LEU 37 1HD2 LEU 37 -2.080 8.905 -1.769 256 HD22 LEU 37 2HD2 LEU 37 -1.860 10.533 -1.127 257 HD23 LEU 37 3HD2 LEU 37 -2.198 10.300 -2.843 258 H ASP 38 H ASP 38 -6.593 10.265 -4.745 259 HA ASP 38 HA ASP 38 -5.175 12.609 -5.680 260 HB2 ASP 38 1HB ASP 38 -7.061 11.603 -6.963 261 HB3 ASP 38 2HB ASP 38 -8.151 12.063 -5.658 262 H ILE 39 H ILE 39 -4.504 13.938 -4.100 263 HA ILE 39 HA ILE 39 -6.543 14.935 -2.225 264 HB ILE 39 HB ILE 39 -4.572 15.273 -0.607 265 HG12 ILE 39 1HG1 ILE 39 -3.378 12.910 -2.013 266 HG13 ILE 39 2HG1 ILE 39 -2.967 14.537 -2.545 267 HG21 ILE 39 1HG2 ILE 39 -6.278 13.009 -1.130 268 HG22 ILE 39 2HG2 ILE 39 -4.776 12.506 -0.356 269 HG23 ILE 39 3HG2 ILE 39 -5.796 13.722 0.410 270 HD11 ILE 39 1HD1 ILE 39 -1.596 14.857 -0.826 271 HD12 ILE 39 2HD1 ILE 39 -2.750 14.195 0.333 272 HD13 ILE 39 3HD1 ILE 39 -1.698 13.114 -0.581 273 H SER 40 H SER 40 -6.418 17.113 -1.677 274 HA SER 40 HA SER 40 -5.060 18.766 -3.630 275 HB2 SER 40 1HB SER 40 -7.454 19.122 -2.803 276 HB3 SER 40 2HB SER 40 -6.734 19.744 -1.317 277 HG SER 40 HG SER 40 -6.239 20.741 -3.931 278 H GLU 41 H GLU 41 -3.372 17.361 -1.787 279 HA GLU 41 HA GLU 41 -2.068 19.667 -0.517 280 HB2 GLU 41 1HB GLU 41 -2.388 16.922 0.709 281 HB3 GLU 41 2HB GLU 41 -1.409 18.219 1.379 282 HG2 GLU 41 1HG GLU 41 -4.386 18.030 1.169 283 HG3 GLU 41 2HG GLU 41 -3.388 18.300 2.597 284 H THR 42 H THR 42 0.063 19.832 -0.895 285 HA THR 42 HA THR 42 1.379 17.574 -2.258 286 HB THR 42 HB THR 42 1.827 20.541 -2.618 287 HG1 THR 42 1HG THR 42 0.789 20.261 -4.476 288 HG21 THR 42 1HG2 THR 42 3.890 20.107 -3.334 289 HG22 THR 42 2HG2 THR 42 3.243 18.986 -4.531 290 HG23 THR 42 3HG2 THR 42 3.680 18.406 -2.924 291 H ASP 43 H ASP 43 2.171 20.483 -0.348 292 HA ASP 43 HA ASP 43 4.709 20.023 0.413 293 HB2 ASP 43 1HB ASP 43 2.474 20.898 2.256 294 HB3 ASP 43 2HB ASP 43 4.193 21.108 2.580 295 H LEU 44 H LEU 44 5.429 17.960 0.658 296 HA LEU 44 HA LEU 44 4.132 15.899 2.033 297 HB2 LEU 44 1HB LEU 44 6.902 16.411 1.106 298 HB3 LEU 44 2HB LEU 44 6.664 15.125 2.288 299 HG LEU 44 HG LEU 44 4.811 14.387 0.523 300 HD11 LEU 44 1HD1 LEU 44 6.565 14.901 -1.624 301 HD12 LEU 44 2HD1 LEU 44 6.240 16.445 -0.837 302 HD13 LEU 44 3HD1 LEU 44 4.902 15.453 -1.415 303 HD21 LEU 44 1HD2 LEU 44 6.261 12.711 0.922 304 HD22 LEU 44 2HD2 LEU 44 7.668 13.773 0.884 305 HD23 LEU 44 3HD2 LEU 44 6.947 13.209 -0.624 306 H SER 45 H SER 45 6.969 17.764 3.138 307 HA SER 45 HA SER 45 7.124 16.849 5.714 308 HB2 SER 45 1HB SER 45 7.697 19.585 4.578 309 HB3 SER 45 2HB SER 45 8.036 19.180 6.260 310 HG SER 45 HG SER 45 9.795 18.285 5.575 311 H SER 46 H SER 46 5.150 19.560 4.540 312 HA SER 46 HA SER 46 4.067 20.390 6.950 313 HB2 SER 46 1HB SER 46 2.989 20.421 4.139 314 HB3 SER 46 2HB SER 46 2.053 21.072 5.484 315 HG SER 46 HG SER 46 4.515 21.957 4.438 316 H LEU 47 H LEU 47 3.226 17.650 4.944 317 HA LEU 47 HA LEU 47 0.910 17.023 6.603 318 HB2 LEU 47 1HB LEU 47 2.028 15.582 4.203 319 HB3 LEU 47 2HB LEU 47 0.501 15.225 5.008 320 HG LEU 47 HG LEU 47 1.134 17.791 3.551 321 HD11 LEU 47 1HD1 LEU 47 0.484 15.260 2.513 322 HD12 LEU 47 2HD1 LEU 47 0.525 16.803 1.664 323 HD13 LEU 47 3HD1 LEU 47 -0.976 16.243 2.401 324 HD21 LEU 47 1HD2 LEU 47 -0.524 18.506 4.902 325 HD22 LEU 47 2HD2 LEU 47 -1.102 16.875 5.240 326 HD23 LEU 47 3HD2 LEU 47 -1.547 17.675 3.733 327 H THR 48 H THR 48 0.691 14.585 7.122 328 HA THR 48 HA THR 48 3.263 13.509 8.060 329 HB THR 48 HB THR 48 0.810 13.230 9.762 330 HG1 THR 48 1HG THR 48 0.912 15.274 10.266 331 HG21 THR 48 1HG2 THR 48 2.451 11.854 10.605 332 HG22 THR 48 2HG2 THR 48 2.794 13.341 11.489 333 HG23 THR 48 3HG2 THR 48 3.760 12.912 10.078 334 H ALA 49 H ALA 49 3.365 11.243 8.276 335 HA ALA 49 HA ALA 49 1.155 9.787 6.975 336 HB1 ALA 49 1HB ALA 49 3.683 10.106 5.954 337 HB2 ALA 49 2HB ALA 49 3.770 8.526 6.734 338 HB3 ALA 49 3HB ALA 49 2.543 8.837 5.506 339 H SER 50 H SER 50 0.233 8.311 8.224 340 HA SER 50 HA SER 50 1.843 6.768 10.101 341 HB2 SER 50 1HB SER 50 -0.264 8.726 10.878 342 HB3 SER 50 2HB SER 50 -0.202 7.203 11.763 343 HG SER 50 HG SER 50 2.192 8.580 11.359 344 H ILE 51 H ILE 51 1.142 4.710 10.348 345 HA ILE 51 HA ILE 51 -1.534 4.011 9.368 346 HB ILE 51 HB ILE 51 1.027 2.659 8.515 347 HG12 ILE 51 1HG1 ILE 51 -1.137 4.093 6.962 348 HG13 ILE 51 2HG1 ILE 51 0.502 4.670 7.237 349 HG21 ILE 51 1HG2 ILE 51 -1.485 1.490 8.961 350 HG22 ILE 51 2HG2 ILE 51 -1.320 1.655 7.214 351 HG23 ILE 51 3HG2 ILE 51 -0.095 0.783 8.136 352 HD11 ILE 51 1HD1 ILE 51 0.461 3.833 5.045 353 HD12 ILE 51 2HD1 ILE 51 1.287 2.607 6.009 354 HD13 ILE 51 3HD1 ILE 51 -0.395 2.371 5.534 355 H LYS 52 H LYS 52 -2.567 2.573 10.613 356 HA LYS 52 HA LYS 52 -0.988 1.030 12.563 357 HB2 LYS 52 1HB LYS 52 -2.093 2.905 13.694 358 HB3 LYS 52 2HB LYS 52 -3.645 2.393 13.046 359 HG2 LYS 52 1HG LYS 52 -3.788 1.480 15.117 360 HG3 LYS 52 2HG LYS 52 -3.011 0.139 14.271 361 HD2 LYS 52 1HD LYS 52 -1.010 0.461 15.314 362 HD3 LYS 52 2HD LYS 52 -1.245 2.203 15.463 363 HE2 LYS 52 1HE LYS 52 -3.029 0.404 17.019 364 HE3 LYS 52 2HE LYS 52 -1.361 0.589 17.559 365 HZ1 LYS 52 1HZ LYS 52 -1.706 2.995 17.610 366 HZ2 LYS 52 2HZ LYS 52 -2.776 2.192 18.644 367 HZ3 LYS 52 3HZ LYS 52 -3.322 2.783 17.156 368 H ALA 53 H ALA 53 -1.085 -0.958 11.667 369 HA ALA 53 HA ALA 53 -2.977 -2.120 10.101 370 HB1 ALA 53 1HB ALA 53 -2.147 -4.133 11.921 371 HB2 ALA 53 2HB ALA 53 -1.561 -3.815 10.287 372 HB3 ALA 53 3HB ALA 53 -0.793 -3.030 11.667 373 HA PRO 54 HA PRO 54 -6.645 -3.005 12.341 374 HB2 PRO 54 1HB PRO 54 -7.167 -5.609 11.777 375 HB3 PRO 54 2HB PRO 54 -7.342 -4.315 10.586 376 HG2 PRO 54 1HG PRO 54 -5.089 -6.249 10.964 377 HG3 PRO 54 2HG PRO 54 -5.854 -5.702 9.461 378 HD2 PRO 54 1HD PRO 54 -3.496 -4.704 10.342 379 HD3 PRO 54 2HD PRO 54 -4.662 -3.729 9.423 380 H SER 55 H SER 55 -3.821 -4.825 13.065 381 HA SER 55 HA SER 55 -5.027 -6.008 15.454 382 HB2 SER 55 1HB SER 55 -2.943 -7.289 15.644 383 HB3 SER 55 2HB SER 55 -3.638 -7.470 14.034 384 HG SER 55 HG SER 55 -2.104 -6.107 13.221 385 H GLY 56 H GLY 56 -3.927 -3.103 14.761 386 HA2 GLY 56 1HA GLY 56 -3.334 -1.374 16.187 387 HA3 GLY 56 2HA GLY 56 -3.161 -2.547 17.484 388 H ARG 57 H ARG 57 -1.477 -3.329 14.625 389 HA ARG 57 HA ARG 57 1.052 -2.718 15.959 390 HB2 ARG 57 1HB ARG 57 0.567 -4.355 13.465 391 HB3 ARG 57 2HB ARG 57 2.068 -4.250 14.376 392 HG2 ARG 57 1HG ARG 57 -0.488 -5.302 15.557 393 HG3 ARG 57 2HG ARG 57 0.692 -6.326 14.736 394 HD2 ARG 57 1HD ARG 57 1.444 -6.544 16.875 395 HD3 ARG 57 2HD ARG 57 2.355 -5.112 16.401 396 HE ARG 57 HE ARG 57 -0.047 -4.228 17.469 397 HH11 ARG 57 1HH1 ARG 57 2.760 -5.994 18.526 398 HH12 ARG 57 2HH1 ARG 57 2.642 -5.455 20.169 399 HH21 ARG 57 1HH2 ARG 57 -0.213 -3.510 19.628 400 HH22 ARG 57 2HH2 ARG 57 0.950 -4.043 20.795 401 H ASP 58 H ASP 58 2.207 -1.003 15.403 402 HA ASP 58 HA ASP 58 1.440 0.738 13.304 403 HB2 ASP 58 1HB ASP 58 2.496 1.900 14.986 404 HB3 ASP 58 2HB ASP 58 3.677 0.626 15.271 405 H GLU 59 H GLU 59 2.625 1.328 11.420 406 HA GLU 59 HA GLU 59 4.488 -0.731 10.447 407 HB2 GLU 59 1HB GLU 59 2.378 0.609 8.752 408 HB3 GLU 59 2HB GLU 59 3.467 -0.682 8.264 409 HG2 GLU 59 1HG GLU 59 1.642 -1.166 10.557 410 HG3 GLU 59 2HG GLU 59 0.971 -1.163 8.927 411 HA PRO 60 HA PRO 60 7.136 2.647 9.476 412 HB2 PRO 60 1HB PRO 60 8.680 1.457 7.586 413 HB3 PRO 60 2HB PRO 60 8.815 1.087 9.310 414 HG2 PRO 60 1HG PRO 60 7.382 -0.419 7.155 415 HG3 PRO 60 2HG PRO 60 8.396 -1.041 8.469 416 HD2 PRO 60 1HD PRO 60 5.691 -1.081 8.573 417 HD3 PRO 60 2HD PRO 60 6.700 -0.886 10.021 418 H CYS 61 H CYS 61 5.420 3.937 8.519 419 HA CYS 61 HA CYS 61 5.048 3.716 5.643 420 HB2 CYS 61 1HB CYS 61 3.494 5.702 6.047 421 HB3 CYS 61 2HB CYS 61 3.033 4.175 6.789 422 HG CYS 61 HG CYS 61 4.896 6.065 8.803 423 H LEU 62 H LEU 62 5.624 5.291 4.153 424 HA LEU 62 HA LEU 62 7.215 7.557 5.083 425 HB2 LEU 62 1HB LEU 62 8.576 5.394 4.449 426 HB3 LEU 62 2HB LEU 62 8.287 5.963 2.806 427 HG LEU 62 HG LEU 62 10.492 6.625 3.737 428 HD11 LEU 62 1HD1 LEU 62 9.068 7.940 2.017 429 HD12 LEU 62 2HD1 LEU 62 10.487 8.704 2.731 430 HD13 LEU 62 3HD1 LEU 62 8.877 9.106 3.327 431 HD21 LEU 62 1HD2 LEU 62 10.754 7.805 5.639 432 HD22 LEU 62 2HD2 LEU 62 9.187 7.103 6.048 433 HD23 LEU 62 3HD2 LEU 62 9.277 8.738 5.391 434 H LEU 63 H LEU 63 6.490 9.322 4.111 435 HA LEU 63 HA LEU 63 4.863 9.114 1.723 436 HB2 LEU 63 1HB LEU 63 5.452 11.207 3.742 437 HB3 LEU 63 2HB LEU 63 4.953 11.741 2.138 438 HG LEU 63 HG LEU 63 3.344 9.823 3.814 439 HD11 LEU 63 1HD1 LEU 63 3.638 11.996 4.965 440 HD12 LEU 63 2HD1 LEU 63 1.972 11.677 4.486 441 HD13 LEU 63 3HD1 LEU 63 2.958 12.800 3.551 442 HD21 LEU 63 1HD2 LEU 63 1.794 11.373 2.038 443 HD22 LEU 63 2HD2 LEU 63 2.112 9.639 1.980 444 HD23 LEU 63 3HD2 LEU 63 3.172 10.761 1.125 445 H LYS 64 H LYS 64 5.316 10.011 -0.267 446 HA LYS 64 HA LYS 64 7.861 11.359 -0.682 447 HB2 LYS 64 1HB LYS 64 8.617 9.829 -2.401 448 HB3 LYS 64 2HB LYS 64 8.373 8.946 -0.899 449 HG2 LYS 64 1HG LYS 64 6.043 8.402 -1.867 450 HG3 LYS 64 2HG LYS 64 6.753 8.881 -3.411 451 HD2 LYS 64 1HD LYS 64 7.943 6.804 -1.578 452 HD3 LYS 64 2HD LYS 64 6.873 6.430 -2.930 453 HE2 LYS 64 1HE LYS 64 9.365 8.052 -3.313 454 HE3 LYS 64 2HE LYS 64 9.413 6.291 -3.305 455 HZ1 LYS 64 1HZ LYS 64 9.172 7.378 -5.541 456 HZ2 LYS 64 2HZ LYS 64 7.609 7.829 -5.079 457 HZ3 LYS 64 3HZ LYS 64 8.021 6.192 -5.182 458 H ARG 65 H ARG 65 8.067 11.746 -3.212 459 HA ARG 65 HA ARG 65 5.465 12.826 -4.055 460 HB2 ARG 65 1HB ARG 65 7.675 14.247 -3.681 461 HB3 ARG 65 2HB ARG 65 8.020 13.704 -5.318 462 HG2 ARG 65 1HG ARG 65 5.548 15.195 -4.460 463 HG3 ARG 65 2HG ARG 65 6.944 15.899 -5.277 464 HD2 ARG 65 1HD ARG 65 6.557 14.467 -7.207 465 HD3 ARG 65 2HD ARG 65 5.196 13.705 -6.385 466 HE ARG 65 HE ARG 65 3.901 15.474 -7.008 467 HH11 ARG 65 1HH1 ARG 65 7.245 16.425 -7.189 468 HH12 ARG 65 2HH1 ARG 65 6.903 17.971 -7.893 469 HH21 ARG 65 1HH2 ARG 65 3.437 17.506 -7.934 470 HH22 ARG 65 2HH2 ARG 65 4.735 18.585 -8.315 471 H LEU 66 H LEU 66 4.470 11.697 -5.579 472 HA LEU 66 HA LEU 66 5.931 9.854 -7.264 473 HB2 LEU 66 1HB LEU 66 2.999 10.528 -7.086 474 HB3 LEU 66 2HB LEU 66 3.674 9.288 -8.140 475 HG LEU 66 HG LEU 66 3.852 9.253 -5.129 476 HD11 LEU 66 1HD1 LEU 66 1.994 7.920 -5.024 477 HD12 LEU 66 2HD1 LEU 66 2.145 7.384 -6.697 478 HD13 LEU 66 3HD1 LEU 66 1.537 9.001 -6.341 479 HD21 LEU 66 1HD2 LEU 66 4.670 7.034 -5.368 480 HD22 LEU 66 2HD2 LEU 66 5.632 8.057 -6.436 481 HD23 LEU 66 3HD2 LEU 66 4.356 7.037 -7.104 482 HA PRO 67 HA PRO 67 6.315 12.373 -10.838 483 HB2 PRO 67 1HB PRO 67 6.047 10.525 -12.810 484 HB3 PRO 67 2HB PRO 67 7.484 10.637 -11.787 485 HG2 PRO 67 1HG PRO 67 5.150 8.776 -11.575 486 HG3 PRO 67 2HG PRO 67 6.879 8.427 -11.394 487 HD2 PRO 67 1HD PRO 67 5.227 8.746 -9.272 488 HD3 PRO 67 2HD PRO 67 6.940 9.213 -9.228 489 H ASN 68 H ASN 68 5.224 12.807 -13.018 490 HA ASN 68 HA ASN 68 3.396 13.500 -14.181 491 HB2 ASN 68 1HB ASN 68 2.150 11.112 -12.806 492 HB3 ASN 68 2HB ASN 68 1.352 12.049 -14.067 493 HD21 ASN 68 1HD2 ASN 68 1.893 11.729 -16.162 494 HD22 ASN 68 2HD2 ASN 68 3.026 10.538 -16.695 495 H ASN 69 H ASN 69 3.963 14.562 -11.515 496 HA ASN 69 HA ASN 69 3.072 16.043 -10.036 497 HB2 ASN 69 1HB ASN 69 0.869 16.064 -12.104 498 HB3 ASN 69 2HB ASN 69 0.890 17.135 -10.706 499 HD21 ASN 69 1HD2 ASN 69 1.251 17.354 -13.771 500 HD22 ASN 69 2HD2 ASN 69 2.599 18.424 -13.921 501 H HIS 70 H HIS 70 2.779 13.346 -9.427 502 HA HIS 70 HA HIS 70 0.189 13.339 -8.021 503 HB2 HIS 70 1HB HIS 70 1.688 10.934 -9.082 504 HB3 HIS 70 2HB HIS 70 0.166 10.892 -8.198 505 HD1 HIS 70 1HD HIS 70 -0.570 13.612 -10.100 506 HD2 HIS 70 2HD HIS 70 0.088 9.645 -11.147 507 HE1 HIS 70 1HE HIS 70 -1.703 13.307 -12.325 508 HE2 HIS 70 2HE HIS 70 -1.364 10.877 -12.897 509 H ILE 71 H ILE 71 0.168 12.193 -5.972 510 HA ILE 71 HA ILE 71 2.768 11.721 -4.736 511 HB ILE 71 HB ILE 71 0.754 13.669 -3.611 512 HG12 ILE 71 1HG1 ILE 71 3.587 14.019 -4.613 513 HG13 ILE 71 2HG1 ILE 71 2.125 14.671 -5.343 514 HG21 ILE 71 1HG2 ILE 71 2.475 11.960 -2.227 515 HG22 ILE 71 2HG2 ILE 71 3.262 13.538 -2.204 516 HG23 ILE 71 3HG2 ILE 71 1.620 13.363 -1.587 517 HD11 ILE 71 1HD1 ILE 71 3.718 16.106 -3.781 518 HD12 ILE 71 2HD1 ILE 71 1.974 16.363 -3.852 519 HD13 ILE 71 3HD1 ILE 71 2.673 15.419 -2.538 520 H GLY 72 H GLY 72 2.742 10.101 -3.271 521 HA2 GLY 72 1HA GLY 72 0.205 9.278 -2.075 522 HA3 GLY 72 2HA GLY 72 1.014 8.109 -3.108 523 H ILE 73 H ILE 73 0.840 6.935 -0.957 524 HA ILE 73 HA ILE 73 3.120 7.621 0.774 525 HB ILE 73 HB ILE 73 0.931 7.549 1.915 526 HG12 ILE 73 1HG1 ILE 73 2.744 5.269 2.735 527 HG13 ILE 73 2HG1 ILE 73 3.052 6.966 3.090 528 HG21 ILE 73 1HG2 ILE 73 0.898 4.588 1.409 529 HG22 ILE 73 2HG2 ILE 73 -0.378 5.606 2.076 530 HG23 ILE 73 3HG2 ILE 73 0.047 5.729 0.369 531 HD11 ILE 73 1HD1 ILE 73 1.466 7.053 4.708 532 HD12 ILE 73 2HD1 ILE 73 0.449 5.834 3.937 533 HD13 ILE 73 3HD1 ILE 73 1.894 5.347 4.824 534 H SER 74 H SER 74 4.450 5.897 1.569 535 HA SER 74 HA SER 74 4.341 3.414 0.004 536 HB2 SER 74 1HB SER 74 5.993 4.989 -1.019 537 HB3 SER 74 2HB SER 74 6.884 4.979 0.504 538 HG SER 74 HG SER 74 7.259 3.349 -1.429 539 H PHE 75 H PHE 75 3.982 1.904 1.495 540 HA PHE 75 HA PHE 75 5.845 1.683 3.728 541 HB2 PHE 75 1HB PHE 75 4.243 1.619 5.421 542 HB3 PHE 75 2HB PHE 75 3.657 2.919 4.389 543 HD1 PHE 75 1HD PHE 75 1.759 2.503 2.845 544 HD2 PHE 75 2HD PHE 75 2.981 -0.348 5.760 545 HE1 PHE 75 1HE PHE 75 -0.406 1.354 2.626 546 HE2 PHE 75 2HE PHE 75 0.819 -1.501 5.544 547 HZ PHE 75 HZ PHE 75 -0.878 -0.650 3.975 548 H ILE 76 H ILE 76 5.725 -0.446 4.792 549 HA ILE 76 HA ILE 76 4.929 -2.516 2.856 550 HB ILE 76 HB ILE 76 6.987 -2.723 5.057 551 HG12 ILE 76 1HG1 ILE 76 7.614 -2.724 2.125 552 HG13 ILE 76 2HG1 ILE 76 7.411 -1.195 2.974 553 HG21 ILE 76 1HG2 ILE 76 5.721 -4.806 4.235 554 HG22 ILE 76 2HG2 ILE 76 6.653 -4.607 2.751 555 HG23 ILE 76 3HG2 ILE 76 7.483 -4.864 4.286 556 HD11 ILE 76 1HD1 ILE 76 9.597 -3.149 3.087 557 HD12 ILE 76 2HD1 ILE 76 9.616 -1.399 3.310 558 HD13 ILE 76 3HD1 ILE 76 9.119 -2.452 4.634 559 HA PRO 77 HA PRO 77 1.880 -3.342 6.094 560 HB2 PRO 77 1HB PRO 77 0.296 -4.869 4.503 561 HB3 PRO 77 2HB PRO 77 0.254 -3.102 4.488 562 HG2 PRO 77 1HG PRO 77 1.642 -4.980 2.614 563 HG3 PRO 77 2HG PRO 77 0.712 -3.515 2.247 564 HD2 PRO 77 1HD PRO 77 3.419 -3.545 2.300 565 HD3 PRO 77 2HD PRO 77 2.470 -2.117 2.759 566 H ARG 78 H ARG 78 1.926 -4.963 7.527 567 HA ARG 78 HA ARG 78 3.263 -7.458 6.748 568 HB2 ARG 78 1HB ARG 78 3.027 -5.934 9.298 569 HB3 ARG 78 2HB ARG 78 3.172 -7.684 9.399 570 HG2 ARG 78 1HG ARG 78 5.346 -6.688 9.599 571 HG3 ARG 78 2HG ARG 78 5.244 -7.557 8.066 572 HD2 ARG 78 1HD ARG 78 4.882 -5.491 6.872 573 HD3 ARG 78 2HD ARG 78 4.828 -4.589 8.386 574 HE ARG 78 HE ARG 78 7.126 -4.661 8.490 575 HH11 ARG 78 1HH1 ARG 78 5.985 -6.795 5.987 576 HH12 ARG 78 2HH1 ARG 78 7.559 -7.066 5.319 577 HH21 ARG 78 1HH2 ARG 78 9.205 -5.010 7.619 578 HH22 ARG 78 2HH2 ARG 78 9.391 -6.051 6.248 579 H GLU 79 H GLU 79 0.215 -6.182 7.405 580 HA GLU 79 HA GLU 79 -0.885 -8.890 7.694 581 HB2 GLU 79 1HB GLU 79 -1.365 -6.512 9.425 582 HB3 GLU 79 2HB GLU 79 -2.724 -7.575 9.090 583 HG2 GLU 79 1HG GLU 79 -1.814 -9.335 10.239 584 HG3 GLU 79 2HG GLU 79 -0.160 -8.765 10.019 585 H VAL 80 H VAL 80 -3.192 -9.018 7.079 586 HA VAL 80 HA VAL 80 -3.796 -7.104 4.921 587 HB VAL 80 HB VAL 80 -5.183 -8.957 3.944 588 HG11 VAL 80 1HG1 VAL 80 -3.335 -10.044 2.889 589 HG12 VAL 80 2HG1 VAL 80 -2.868 -8.370 3.200 590 HG13 VAL 80 3HG1 VAL 80 -2.268 -9.662 4.241 591 HG21 VAL 80 1HG2 VAL 80 -3.772 -10.575 6.060 592 HG22 VAL 80 2HG2 VAL 80 -5.509 -10.320 5.903 593 HG23 VAL 80 3HG2 VAL 80 -4.644 -11.260 4.689 594 H GLY 81 H GLY 81 -5.856 -6.270 4.727 595 HA2 GLY 81 1HA GLY 81 -8.254 -6.867 5.608 596 HA3 GLY 81 2HA GLY 81 -7.495 -6.484 7.146 597 H GLU 82 H GLU 82 -8.416 -4.615 7.744 598 HA GLU 82 HA GLU 82 -8.608 -2.455 5.765 599 HB2 GLU 82 1HB GLU 82 -10.702 -3.008 6.879 600 HB3 GLU 82 2HB GLU 82 -9.951 -2.784 8.451 601 HG2 GLU 82 1HG GLU 82 -9.586 -0.410 7.910 602 HG3 GLU 82 2HG GLU 82 -10.424 -0.655 6.379 603 H HIS 83 H HIS 83 -6.757 -1.327 5.748 604 HA HIS 83 HA HIS 83 -5.454 -0.683 8.292 605 HB2 HIS 83 1HB HIS 83 -4.542 -0.743 5.438 606 HB3 HIS 83 2HB HIS 83 -3.678 0.256 6.603 607 HD1 HIS 83 1HD HIS 83 -4.932 -3.348 6.582 608 HD2 HIS 83 2HD HIS 83 -1.587 -1.108 7.607 609 HE1 HIS 83 1HE HIS 83 -3.249 -5.007 7.442 610 HE2 HIS 83 2HE HIS 83 -1.266 -3.619 8.136 611 H LEU 84 H LEU 84 -5.559 1.288 9.155 612 HA LEU 84 HA LEU 84 -6.815 3.420 7.575 613 HB2 LEU 84 1HB LEU 84 -6.651 2.841 10.504 614 HB3 LEU 84 2HB LEU 84 -6.984 4.478 9.940 615 HG LEU 84 HG LEU 84 -8.663 2.080 9.219 616 HD11 LEU 84 1HD1 LEU 84 -9.801 4.047 11.046 617 HD12 LEU 84 2HD1 LEU 84 -8.450 3.145 11.733 618 HD13 LEU 84 3HD1 LEU 84 -9.853 2.285 11.097 619 HD21 LEU 84 1HD2 LEU 84 -10.313 4.037 8.832 620 HD22 LEU 84 2HD2 LEU 84 -9.083 3.698 7.616 621 HD23 LEU 84 3HD2 LEU 84 -8.858 5.029 8.752 622 H VAL 85 H VAL 85 -5.565 4.978 6.808 623 HA VAL 85 HA VAL 85 -2.911 5.388 7.986 624 HB VAL 85 HB VAL 85 -3.964 6.486 5.379 625 HG11 VAL 85 1HG1 VAL 85 -1.979 7.574 6.563 626 HG12 VAL 85 2HG1 VAL 85 -1.097 6.096 6.180 627 HG13 VAL 85 3HG1 VAL 85 -1.756 7.092 4.883 628 HG21 VAL 85 1HG2 VAL 85 -3.891 4.361 4.674 629 HG22 VAL 85 2HG2 VAL 85 -2.139 4.558 4.721 630 HG23 VAL 85 3HG2 VAL 85 -2.980 3.825 6.085 631 H SER 86 H SER 86 -2.740 6.958 9.434 632 HA SER 86 HA SER 86 -4.669 9.106 9.552 633 HB2 SER 86 1HB SER 86 -2.221 9.074 11.265 634 HB3 SER 86 2HB SER 86 -3.874 9.530 11.678 635 HG SER 86 HG SER 86 -2.737 6.961 11.465 636 H ILE 87 H ILE 87 -4.471 10.782 8.226 637 HA ILE 87 HA ILE 87 -1.770 11.851 7.718 638 HB ILE 87 HB ILE 87 -4.130 12.132 5.862 639 HG12 ILE 87 1HG1 ILE 87 -3.402 9.751 6.131 640 HG13 ILE 87 2HG1 ILE 87 -3.191 10.380 4.500 641 HG21 ILE 87 1HG2 ILE 87 -2.531 13.872 5.548 642 HG22 ILE 87 2HG2 ILE 87 -1.191 12.726 5.590 643 HG23 ILE 87 3HG2 ILE 87 -2.319 12.715 4.234 644 HD11 ILE 87 1HD1 ILE 87 -1.308 8.991 5.322 645 HD12 ILE 87 2HD1 ILE 87 -0.840 10.619 4.831 646 HD13 ILE 87 3HD1 ILE 87 -0.991 10.224 6.543 647 H LYS 88 H LYS 88 -1.430 13.761 8.617 648 HA LYS 88 HA LYS 88 -3.626 15.704 8.723 649 HB2 LYS 88 1HB LYS 88 -1.769 15.532 11.057 650 HB3 LYS 88 2HB LYS 88 -3.417 16.141 10.983 651 HG2 LYS 88 1HG LYS 88 -4.343 14.008 11.086 652 HG3 LYS 88 2HG LYS 88 -2.830 13.228 10.617 653 HD2 LYS 88 1HD LYS 88 -1.862 14.076 12.789 654 HD3 LYS 88 2HD LYS 88 -3.503 14.534 13.248 655 HE2 LYS 88 1HE LYS 88 -4.060 12.061 12.626 656 HE3 LYS 88 2HE LYS 88 -2.328 11.814 12.850 657 HZ1 LYS 88 1HZ LYS 88 -3.227 11.384 14.927 658 HZ2 LYS 88 2HZ LYS 88 -4.343 12.651 14.837 659 HZ3 LYS 88 3HZ LYS 88 -2.702 12.985 15.078 660 H LYS 89 H LYS 89 -2.716 17.917 9.436 661 HA LYS 89 HA LYS 89 -0.046 18.311 8.258 662 HB2 LYS 89 1HB LYS 89 -1.985 18.995 6.762 663 HB3 LYS 89 2HB LYS 89 -2.332 20.252 7.941 664 HG2 LYS 89 1HG LYS 89 0.037 21.052 7.605 665 HG3 LYS 89 2HG LYS 89 0.117 19.947 6.230 666 HD2 LYS 89 1HD LYS 89 -2.015 22.053 6.530 667 HD3 LYS 89 2HD LYS 89 -0.491 22.335 5.684 668 HE2 LYS 89 1HE LYS 89 -1.036 20.920 3.955 669 HE3 LYS 89 2HE LYS 89 -2.137 19.962 4.945 670 HZ1 LYS 89 1HZ LYS 89 -2.654 22.716 3.960 671 HZ2 LYS 89 2HZ LYS 89 -3.713 21.789 4.899 672 HZ3 LYS 89 3HZ LYS 89 -3.330 21.301 3.326 673 H ASN 90 H ASN 90 1.243 18.912 9.872 674 HA ASN 90 HA ASN 90 2.073 20.005 11.687 675 HB2 ASN 90 1HB ASN 90 0.186 21.985 10.490 676 HB3 ASN 90 2HB ASN 90 0.856 22.332 12.081 677 HD21 ASN 90 1HD2 ASN 90 1.699 21.565 8.753 678 HD22 ASN 90 2HD2 ASN 90 3.238 22.351 8.769 679 H GLY 91 H GLY 91 -0.257 18.172 11.957 680 HA2 GLY 91 1HA GLY 91 -1.093 17.343 14.015 681 HA3 GLY 91 2HA GLY 91 -0.957 18.959 14.692 682 H ASN 92 H ASN 92 -2.363 18.766 11.578 683 HA ASN 92 HA ASN 92 -5.068 18.849 12.731 684 HB2 ASN 92 1HB ASN 92 -3.889 20.750 10.696 685 HB3 ASN 92 2HB ASN 92 -5.614 20.633 11.038 686 HD21 ASN 92 1HD2 ASN 92 -2.480 21.304 12.496 687 HD22 ASN 92 2HD2 ASN 92 -3.076 22.357 13.729 688 H HIS 93 H HIS 93 -5.836 16.938 12.015 689 HA HIS 93 HA HIS 93 -5.262 15.388 9.922 690 HB2 HIS 93 1HB HIS 93 -7.859 16.034 11.228 691 HB3 HIS 93 2HB HIS 93 -7.909 15.092 9.741 692 HD1 HIS 93 1HD HIS 93 -6.856 12.710 9.812 693 HD2 HIS 93 2HD HIS 93 -6.896 14.690 13.465 694 HE1 HIS 93 1HE HIS 93 -6.357 10.950 11.537 695 HE2 HIS 93 2HE HIS 93 -6.471 12.154 13.746 696 H VAL 94 H VAL 94 -5.725 15.197 7.738 697 HA VAL 94 HA VAL 94 -6.555 17.701 6.432 698 HB VAL 94 HB VAL 94 -5.301 17.014 4.490 699 HG11 VAL 94 1HG1 VAL 94 -3.442 17.835 5.390 700 HG12 VAL 94 2HG1 VAL 94 -4.175 17.617 6.980 701 HG13 VAL 94 3HG1 VAL 94 -3.162 16.347 6.293 702 HG21 VAL 94 1HG2 VAL 94 -4.473 14.528 5.974 703 HG22 VAL 94 2HG2 VAL 94 -5.790 14.560 4.801 704 HG23 VAL 94 3HG2 VAL 94 -4.146 14.948 4.292 705 H ALA 95 H ALA 95 -7.319 17.103 4.034 706 HA ALA 95 HA ALA 95 -9.836 15.832 4.346 707 HB1 ALA 95 1HB ALA 95 -9.023 16.113 1.586 708 HB2 ALA 95 2HB ALA 95 -10.326 16.913 2.464 709 HB3 ALA 95 3HB ALA 95 -8.693 17.576 2.513 710 H ASN 96 H ASN 96 -10.601 13.891 3.527 711 HA ASN 96 HA ASN 96 -10.554 11.705 2.900 712 HB2 ASN 96 1HB ASN 96 -7.939 12.383 1.540 713 HB3 ASN 96 2HB ASN 96 -8.970 10.996 1.205 714 HD21 ASN 96 1HD2 ASN 96 -8.133 12.837 -0.725 715 HD22 ASN 96 2HD2 ASN 96 -9.523 13.675 -1.318 716 H SER 97 H SER 97 -9.286 12.645 5.376 717 HA SER 97 HA SER 97 -7.573 10.302 5.856 718 HB2 SER 97 1HB SER 97 -6.119 12.263 5.723 719 HB3 SER 97 2HB SER 97 -7.110 13.101 6.918 720 HG SER 97 HG SER 97 -5.719 12.240 8.253 721 HA PRO 98 HA PRO 98 -6.553 9.393 7.599 722 HB2 PRO 98 1HB PRO 98 -7.240 6.933 8.520 723 HB3 PRO 98 2HB PRO 98 -6.668 8.229 9.577 724 HG2 PRO 98 1HG PRO 98 -9.470 7.324 9.032 725 HG3 PRO 98 2HG PRO 98 -8.717 7.762 10.576 726 HD2 PRO 98 1HD PRO 98 -10.323 9.458 9.206 727 HD3 PRO 98 2HD PRO 98 -8.964 10.023 10.199 728 H VAL 99 H VAL 99 -5.952 8.095 5.897 729 HA VAL 99 HA VAL 99 -7.939 7.595 3.888 730 HB VAL 99 HB VAL 99 -5.110 6.598 3.744 731 HG11 VAL 99 1HG1 VAL 99 -7.234 6.517 1.989 732 HG12 VAL 99 2HG1 VAL 99 -6.289 7.895 1.423 733 HG13 VAL 99 3HG1 VAL 99 -5.534 6.308 1.570 734 HG21 VAL 99 1HG2 VAL 99 -6.018 9.369 3.965 735 HG22 VAL 99 2HG2 VAL 99 -4.404 8.683 4.166 736 HG23 VAL 99 3HG2 VAL 99 -5.011 9.054 2.552 737 H SER 100 H SER 100 -9.153 5.838 3.758 738 HA SER 100 HA SER 100 -8.485 3.471 5.285 739 HB2 SER 100 1HB SER 100 -10.693 2.684 4.705 740 HB3 SER 100 2HB SER 100 -10.817 4.384 5.156 741 HG SER 100 HG SER 100 -10.536 3.530 2.472 742 H ILE 101 H ILE 101 -7.307 1.866 4.503 743 HA ILE 101 HA ILE 101 -7.395 1.327 1.608 744 HB ILE 101 HB ILE 101 -4.956 1.004 3.357 745 HG12 ILE 101 1HG1 ILE 101 -5.597 3.143 1.314 746 HG13 ILE 101 2HG1 ILE 101 -5.509 3.378 3.057 747 HG21 ILE 101 1HG2 ILE 101 -4.586 1.144 0.479 748 HG22 ILE 101 2HG2 ILE 101 -3.978 -0.033 1.642 749 HG23 ILE 101 3HG2 ILE 101 -5.597 -0.215 0.969 750 HD11 ILE 101 1HD1 ILE 101 -3.149 2.318 1.571 751 HD12 ILE 101 2HD1 ILE 101 -3.504 4.045 1.573 752 HD13 ILE 101 3HD1 ILE 101 -3.212 3.204 3.094 753 H MET 102 H MET 102 -7.470 -0.795 0.973 754 HA MET 102 HA MET 102 -7.879 -2.751 3.130 755 HB2 MET 102 1HB MET 102 -9.772 -2.300 1.538 756 HB3 MET 102 2HB MET 102 -8.774 -2.967 0.253 757 HG2 MET 102 1HG MET 102 -10.023 -4.790 0.820 758 HG3 MET 102 2HG MET 102 -8.610 -5.026 1.846 759 HE1 MET 102 1HE MET 102 -9.088 -6.263 3.545 760 HE2 MET 102 2HE MET 102 -10.173 -5.952 4.901 761 HE3 MET 102 3HE MET 102 -10.777 -6.764 3.455 762 H VAL 103 H VAL 103 -6.255 -4.102 3.475 763 HA VAL 103 HA VAL 103 -4.367 -4.661 1.300 764 HB VAL 103 HB VAL 103 -4.088 -5.203 4.260 765 HG11 VAL 103 1HG1 VAL 103 -2.301 -6.430 3.778 766 HG12 VAL 103 2HG1 VAL 103 -2.697 -6.288 2.064 767 HG13 VAL 103 3HG1 VAL 103 -1.617 -5.116 2.821 768 HG21 VAL 103 1HG2 VAL 103 -4.012 -2.876 4.041 769 HG22 VAL 103 2HG2 VAL 103 -2.318 -3.364 4.008 770 HG23 VAL 103 3HG2 VAL 103 -3.147 -2.956 2.506 771 H VAL 104 H VAL 104 -4.182 -6.625 0.407 772 HA VAL 104 HA VAL 104 -5.425 -8.922 1.751 773 HB VAL 104 HB VAL 104 -6.482 -9.692 -0.256 774 HG11 VAL 104 1HG1 VAL 104 -7.083 -6.762 0.133 775 HG12 VAL 104 2HG1 VAL 104 -8.149 -7.947 -0.624 776 HG13 VAL 104 3HG1 VAL 104 -7.745 -8.088 1.087 777 HG21 VAL 104 1HG2 VAL 104 -4.952 -7.467 -1.534 778 HG22 VAL 104 2HG2 VAL 104 -5.115 -9.150 -2.036 779 HG23 VAL 104 3HG2 VAL 104 -6.457 -8.028 -2.263 780 H GLN 105 H GLN 105 -4.831 -11.007 0.523 781 HA GLN 105 HA GLN 105 -1.950 -10.902 -0.001 782 HB2 GLN 105 1HB GLN 105 -3.802 -12.953 1.097 783 HB3 GLN 105 2HB GLN 105 -2.413 -13.529 0.185 784 HG2 GLN 105 1HG GLN 105 -1.949 -11.503 2.302 785 HG3 GLN 105 2HG GLN 105 -2.317 -13.156 2.792 786 HE21 GLN 105 1HE2 GLN 105 -0.165 -11.233 0.760 787 HE22 GLN 105 2HE2 GLN 105 1.192 -12.296 0.880 788 H SER 106 H SER 106 -1.183 -11.173 -1.986 789 HA SER 106 HA SER 106 -2.994 -11.786 -4.153 790 HB2 SER 106 1HB SER 106 -0.178 -10.802 -3.940 791 HB3 SER 106 2HB SER 106 -0.709 -11.528 -5.457 792 HG SER 106 HG SER 106 -2.026 -9.391 -4.130 793 H GLU 107 H GLU 107 -2.554 -13.418 -5.763 794 HA GLU 107 HA GLU 107 -1.279 -15.800 -4.593 795 HB2 GLU 107 1HB GLU 107 -2.794 -17.154 -5.847 796 HB3 GLU 107 2HB GLU 107 -3.745 -15.910 -5.048 797 HG2 GLU 107 1HG GLU 107 -4.670 -15.865 -7.128 798 HG3 GLU 107 2HG GLU 107 -3.416 -14.639 -7.314 799 H ILE 108 H ILE 108 0.564 -16.425 -5.482 800 HA ILE 108 HA ILE 108 1.580 -15.239 -7.866 801 HB ILE 108 HB ILE 108 3.564 -16.398 -7.481 802 HG12 ILE 108 1HG1 ILE 108 2.611 -18.663 -7.500 803 HG13 ILE 108 2HG1 ILE 108 3.737 -18.459 -6.163 804 HG21 ILE 108 1HG2 ILE 108 3.926 -15.306 -5.586 805 HG22 ILE 108 2HG2 ILE 108 2.196 -15.277 -5.254 806 HG23 ILE 108 3HG2 ILE 108 3.179 -16.627 -4.687 807 HD11 ILE 108 1HD1 ILE 108 1.886 -18.188 -4.622 808 HD12 ILE 108 2HD1 ILE 108 0.739 -18.327 -5.955 809 HD13 ILE 108 3HD1 ILE 108 1.744 -19.705 -5.510 810 H GLY 109 H GLY 109 2.804 -17.084 -9.341 811 HA2 GLY 109 1HA GLY 109 1.337 -19.399 -9.993 812 HA3 GLY 109 2HA GLY 109 0.797 -18.080 -11.022 813 H ASP 110 H ASP 110 1.642 -18.459 -12.968 814 HA ASP 110 HA ASP 110 3.723 -19.911 -13.796 815 HB2 ASP 110 1HB ASP 110 2.741 -17.254 -14.790 816 HB3 ASP 110 2HB ASP 110 4.113 -18.038 -15.569 817 H SER 111 H SER 111 4.043 -16.552 -12.671 818 HA SER 111 HA SER 111 6.905 -17.085 -12.210 819 HB2 SER 111 1HB SER 111 6.597 -15.538 -14.105 820 HB3 SER 111 2HB SER 111 5.661 -14.460 -13.070 821 HG SER 111 HG SER 111 8.315 -15.235 -12.467 822 H GLY 112 H GLY 112 7.490 -16.937 -10.152 823 HA2 GLY 112 1HA GLY 112 6.267 -14.940 -8.418 824 HA3 GLY 112 2HA GLY 112 6.014 -16.618 -7.960 825 HA PRO 113 HA PRO 113 9.753 -16.379 -5.660 826 HB2 PRO 113 1HB PRO 113 10.279 -19.033 -5.433 827 HB3 PRO 113 2HB PRO 113 8.995 -18.227 -4.524 828 HG2 PRO 113 1HG PRO 113 8.808 -19.854 -7.029 829 HG3 PRO 113 2HG PRO 113 7.756 -19.873 -5.601 830 HD2 PRO 113 1HD PRO 113 7.094 -18.569 -7.881 831 HD3 PRO 113 2HD PRO 113 6.596 -17.999 -6.275 832 H SER 114 H SER 114 12.029 -17.296 -5.709 833 HA SER 114 HA SER 114 12.925 -17.989 -8.411 834 HB2 SER 114 1HB SER 114 14.532 -16.256 -8.533 835 HB3 SER 114 2HB SER 114 13.058 -15.463 -7.976 836 HG SER 114 HG SER 114 14.058 -16.013 -5.779 837 H SER 115 H SER 115 14.128 -19.749 -8.271 838 HA SER 115 HA SER 115 15.488 -20.361 -5.749 839 HB2 SER 115 1HB SER 115 14.902 -22.116 -8.146 840 HB3 SER 115 2HB SER 115 15.693 -22.654 -6.664 841 HG SER 115 HG SER 115 13.229 -22.834 -7.015 842 H GLY 116 H GLY 116 17.586 -21.743 -6.171 843 HA2 GLY 116 1HA GLY 116 19.358 -21.770 -8.077 844 HA3 GLY 116 2HA GLY 116 19.315 -20.032 -7.817 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -14.531 -31.324 -5.064 2 HA2 GLY 1 1HA GLY 1 -14.717 -30.371 -7.813 3 HA3 GLY 1 2HA GLY 1 -13.448 -29.985 -6.659 4 H SER 2 H SER 2 -11.869 -30.411 -8.260 5 HA SER 2 HA SER 2 -11.410 -33.287 -8.688 6 HB2 SER 2 1HB SER 2 -10.711 -32.939 -10.918 7 HB3 SER 2 2HB SER 2 -12.178 -31.974 -10.757 8 HG SER 2 HG SER 2 -10.429 -30.292 -10.096 9 H SER 3 H SER 3 -9.569 -33.958 -7.827 10 HA SER 3 HA SER 3 -7.426 -31.986 -7.382 11 HB2 SER 3 1HB SER 3 -6.748 -33.256 -5.443 12 HB3 SER 3 2HB SER 3 -8.479 -32.938 -5.318 13 HG SER 3 HG SER 3 -8.552 -35.137 -6.469 14 H GLY 4 H GLY 4 -5.960 -32.224 -8.953 15 HA2 GLY 4 1HA GLY 4 -5.055 -34.970 -9.564 16 HA3 GLY 4 2HA GLY 4 -5.202 -33.729 -10.800 17 H SER 5 H SER 5 -3.989 -31.591 -9.994 18 HA SER 5 HA SER 5 -1.531 -32.108 -8.589 19 HB2 SER 5 1HB SER 5 -0.046 -31.574 -10.487 20 HB3 SER 5 2HB SER 5 -0.968 -33.048 -10.781 21 HG SER 5 HG SER 5 -1.999 -30.597 -11.667 22 H SER 6 H SER 6 -0.484 -30.238 -7.956 23 HA SER 6 HA SER 6 -1.702 -27.699 -8.817 24 HB2 SER 6 1HB SER 6 -2.405 -28.588 -6.485 25 HB3 SER 6 2HB SER 6 -0.775 -28.133 -5.988 26 HG SER 6 HG SER 6 -2.646 -26.535 -5.853 27 H GLY 7 H GLY 7 -0.336 -25.951 -9.017 28 HA2 GLY 7 1HA GLY 7 1.686 -24.770 -8.838 29 HA3 GLY 7 2HA GLY 7 2.452 -26.220 -8.207 30 H ILE 8 H ILE 8 0.727 -25.395 -11.218 31 HA ILE 8 HA ILE 8 2.021 -27.096 -12.927 32 HB ILE 8 HB ILE 8 1.412 -25.661 -14.748 33 HG12 ILE 8 1HG1 ILE 8 2.337 -23.564 -13.770 34 HG13 ILE 8 2HG1 ILE 8 0.736 -23.353 -14.472 35 HG21 ILE 8 1HG2 ILE 8 -0.619 -26.454 -14.267 36 HG22 ILE 8 2HG2 ILE 8 -0.414 -26.170 -12.539 37 HG23 ILE 8 3HG2 ILE 8 -0.948 -24.859 -13.592 38 HD11 ILE 8 1HD1 ILE 8 0.719 -22.158 -12.456 39 HD12 ILE 8 2HD1 ILE 8 -0.171 -23.645 -12.128 40 HD13 ILE 8 3HD1 ILE 8 1.495 -23.472 -11.574 41 HA PRO 9 HA PRO 9 6.218 -25.800 -13.189 42 HB2 PRO 9 1HB PRO 9 6.827 -26.761 -15.653 43 HB3 PRO 9 2HB PRO 9 6.617 -27.803 -14.241 44 HG2 PRO 9 1HG PRO 9 4.684 -27.181 -16.441 45 HG3 PRO 9 2HG PRO 9 5.043 -28.739 -15.674 46 HD2 PRO 9 1HD PRO 9 2.863 -27.266 -15.031 47 HD3 PRO 9 2HD PRO 9 3.704 -28.292 -13.851 48 H GLY 10 H GLY 10 7.549 -24.239 -14.133 49 HA2 GLY 10 1HA GLY 10 8.119 -22.593 -15.728 50 HA3 GLY 10 2HA GLY 10 6.501 -22.720 -16.402 51 H SER 11 H SER 11 8.491 -20.701 -14.806 52 HA SER 11 HA SER 11 6.230 -19.218 -13.657 53 HB2 SER 11 1HB SER 11 7.377 -20.248 -11.776 54 HB3 SER 11 2HB SER 11 8.929 -19.636 -12.349 55 HG SER 11 HG SER 11 6.743 -17.970 -11.653 56 HA PRO 12 HA PRO 12 7.903 -16.016 -16.215 57 HB2 PRO 12 1HB PRO 12 6.340 -14.000 -15.285 58 HB3 PRO 12 2HB PRO 12 5.744 -15.249 -16.383 59 HG2 PRO 12 1HG PRO 12 5.447 -15.040 -13.412 60 HG3 PRO 12 2HG PRO 12 4.240 -15.502 -14.627 61 HD2 PRO 12 1HD PRO 12 5.558 -17.323 -13.118 62 HD3 PRO 12 2HD PRO 12 5.038 -17.659 -14.781 63 H PHE 13 H PHE 13 8.875 -13.843 -15.954 64 HA PHE 13 HA PHE 13 10.183 -13.588 -13.326 65 HB2 PHE 13 1HB PHE 13 11.895 -14.107 -14.848 66 HB3 PHE 13 2HB PHE 13 11.194 -13.107 -16.117 67 HD1 PHE 13 1HD PHE 13 12.789 -12.894 -12.767 68 HD2 PHE 13 2HD PHE 13 11.977 -10.955 -16.468 69 HE1 PHE 13 1HE PHE 13 14.272 -11.042 -12.117 70 HE2 PHE 13 2HE PHE 13 13.460 -9.100 -15.825 71 HZ PHE 13 HZ PHE 13 14.611 -9.142 -13.647 72 H THR 14 H THR 14 9.210 -11.653 -16.156 73 HA THR 14 HA THR 14 9.018 -9.283 -14.459 74 HB THR 14 HB THR 14 10.170 -9.010 -16.596 75 HG1 THR 14 1HG THR 14 8.551 -7.386 -15.644 76 HG21 THR 14 1HG2 THR 14 8.132 -10.665 -17.583 77 HG22 THR 14 2HG2 THR 14 9.445 -9.923 -18.497 78 HG23 THR 14 3HG2 THR 14 7.893 -9.098 -18.355 79 H ALA 15 H ALA 15 7.147 -8.518 -13.717 80 HA ALA 15 HA ALA 15 4.661 -9.719 -14.724 81 HB1 ALA 15 1HB ALA 15 4.562 -8.123 -12.254 82 HB2 ALA 15 2HB ALA 15 3.836 -9.686 -12.630 83 HB3 ALA 15 3HB ALA 15 5.537 -9.591 -12.174 84 H LYS 16 H LYS 16 4.192 -8.411 -16.462 85 HA LYS 16 HA LYS 16 3.773 -5.554 -15.874 86 HB2 LYS 16 1HB LYS 16 5.471 -6.217 -17.668 87 HB3 LYS 16 2HB LYS 16 4.092 -6.735 -18.628 88 HG2 LYS 16 1HG LYS 16 3.172 -4.438 -18.447 89 HG3 LYS 16 2HG LYS 16 4.660 -3.953 -17.629 90 HD2 LYS 16 1HD LYS 16 5.116 -3.371 -19.816 91 HD3 LYS 16 2HD LYS 16 5.819 -4.986 -19.723 92 HE2 LYS 16 1HE LYS 16 4.627 -5.209 -21.654 93 HE3 LYS 16 2HE LYS 16 3.388 -5.691 -20.496 94 HZ1 LYS 16 1HZ LYS 16 2.376 -3.583 -20.627 95 HZ2 LYS 16 2HZ LYS 16 2.684 -4.041 -22.227 96 HZ3 LYS 16 3HZ LYS 16 3.681 -2.906 -21.465 97 H ILE 17 H ILE 17 2.507 -8.195 -17.909 98 HA ILE 17 HA ILE 17 -0.069 -6.871 -18.093 99 HB ILE 17 HB ILE 17 0.440 -7.876 -20.117 100 HG12 ILE 17 1HG1 ILE 17 -0.979 -10.261 -19.022 101 HG13 ILE 17 2HG1 ILE 17 -1.769 -8.695 -18.884 102 HG21 ILE 17 1HG2 ILE 17 1.675 -10.000 -18.443 103 HG22 ILE 17 2HG2 ILE 17 1.132 -10.420 -20.066 104 HG23 ILE 17 3HG2 ILE 17 2.324 -9.141 -19.839 105 HD11 ILE 17 1HD1 ILE 17 -1.632 -8.403 -21.294 106 HD12 ILE 17 2HD1 ILE 17 -0.815 -9.960 -21.441 107 HD13 ILE 17 3HD1 ILE 17 -2.484 -9.889 -20.876 108 H THR 18 H THR 18 -1.717 -7.230 -16.768 109 HA THR 18 HA THR 18 -2.274 -9.800 -15.640 110 HB THR 18 HB THR 18 -0.515 -9.089 -14.082 111 HG1 THR 18 1HG THR 18 -3.177 -9.109 -13.071 112 HG21 THR 18 1HG2 THR 18 -1.348 -7.143 -12.498 113 HG22 THR 18 2HG2 THR 18 -2.189 -6.628 -13.961 114 HG23 THR 18 3HG2 THR 18 -0.433 -6.801 -13.967 115 H ASP 19 H ASP 19 -4.302 -9.876 -14.544 116 HA ASP 19 HA ASP 19 -5.906 -7.433 -14.564 117 HB2 ASP 19 1HB ASP 19 -7.787 -8.889 -15.623 118 HB3 ASP 19 2HB ASP 19 -6.558 -8.183 -16.669 119 H ASP 20 H ASP 20 -6.648 -7.286 -12.559 120 HA ASP 20 HA ASP 20 -7.017 -9.627 -10.912 121 HB2 ASP 20 1HB ASP 20 -7.766 -6.792 -10.200 122 HB3 ASP 20 2HB ASP 20 -7.376 -8.118 -9.108 123 H SER 21 H SER 21 -9.088 -7.077 -12.262 124 HA SER 21 HA SER 21 -11.334 -6.953 -12.605 125 HB2 SER 21 1HB SER 21 -10.599 -9.210 -13.782 126 HB3 SER 21 2HB SER 21 -11.591 -9.930 -12.515 127 HG SER 21 HG SER 21 -13.155 -8.170 -13.308 128 H ARG 22 H ARG 22 -10.389 -6.950 -9.893 129 HA ARG 22 HA ARG 22 -12.717 -8.130 -8.523 130 HB2 ARG 22 1HB ARG 22 -11.353 -8.287 -6.508 131 HB3 ARG 22 2HB ARG 22 -10.595 -9.160 -7.833 132 HG2 ARG 22 1HG ARG 22 -9.005 -7.398 -8.164 133 HG3 ARG 22 2HG ARG 22 -9.832 -6.376 -6.987 134 HD2 ARG 22 1HD ARG 22 -8.103 -7.219 -5.722 135 HD3 ARG 22 2HD ARG 22 -9.389 -8.372 -5.368 136 HE ARG 22 HE ARG 22 -7.833 -9.219 -7.587 137 HH11 ARG 22 1HH1 ARG 22 -7.816 -8.999 -4.113 138 HH12 ARG 22 2HH1 ARG 22 -6.735 -10.336 -3.903 139 HH21 ARG 22 1HH2 ARG 22 -6.408 -10.982 -7.325 140 HH22 ARG 22 2HH2 ARG 22 -5.934 -11.463 -5.731 141 H ARG 23 H ARG 23 -13.402 -6.937 -6.555 142 HA ARG 23 HA ARG 23 -13.588 -4.113 -7.165 143 HB2 ARG 23 1HB ARG 23 -15.549 -5.505 -6.427 144 HB3 ARG 23 2HB ARG 23 -14.803 -5.607 -4.838 145 HG2 ARG 23 1HG ARG 23 -16.359 -3.886 -4.642 146 HG3 ARG 23 2HG ARG 23 -14.818 -3.054 -4.863 147 HD2 ARG 23 1HD ARG 23 -16.353 -1.946 -6.269 148 HD3 ARG 23 2HD ARG 23 -15.377 -2.962 -7.329 149 HE ARG 23 HE ARG 23 -17.669 -4.386 -6.562 150 HH11 ARG 23 1HH1 ARG 23 -16.744 -1.648 -8.504 151 HH12 ARG 23 2HH1 ARG 23 -18.072 -1.815 -9.605 152 HH21 ARG 23 1HH2 ARG 23 -19.421 -4.617 -8.005 153 HH22 ARG 23 2HH2 ARG 23 -19.594 -3.504 -9.319 154 H CYS 24 H CYS 24 -12.295 -6.163 -4.588 155 HA CYS 24 HA CYS 24 -11.412 -3.960 -2.987 156 HB2 CYS 24 1HB CYS 24 -10.920 -6.929 -2.909 157 HB3 CYS 24 2HB CYS 24 -10.081 -5.832 -1.820 158 HG CYS 24 HG CYS 24 -11.909 -6.168 -0.045 159 H SER 25 H SER 25 -9.321 -3.197 -2.685 160 HA SER 25 HA SER 25 -7.675 -3.182 -5.009 161 HB2 SER 25 1HB SER 25 -7.297 -2.070 -2.227 162 HB3 SER 25 2HB SER 25 -6.099 -1.871 -3.505 163 HG SER 25 HG SER 25 -8.760 -1.183 -4.036 164 H GLN 26 H GLN 26 -5.692 -4.115 -5.376 165 HA GLN 26 HA GLN 26 -5.037 -6.381 -3.634 166 HB2 GLN 26 1HB GLN 26 -5.456 -6.531 -6.213 167 HB3 GLN 26 2HB GLN 26 -3.804 -5.941 -6.328 168 HG2 GLN 26 1HG GLN 26 -4.364 -8.270 -4.569 169 HG3 GLN 26 2HG GLN 26 -4.343 -8.508 -6.315 170 HE21 GLN 26 1HE2 GLN 26 -2.539 -9.617 -4.387 171 HE22 GLN 26 2HE2 GLN 26 -0.959 -9.042 -4.781 172 H VAL 27 H VAL 27 -3.249 -6.397 -2.435 173 HA VAL 27 HA VAL 27 -1.040 -4.595 -3.129 174 HB VAL 27 HB VAL 27 -2.093 -4.874 -0.314 175 HG11 VAL 27 1HG1 VAL 27 -0.568 -3.037 0.181 176 HG12 VAL 27 2HG1 VAL 27 0.307 -4.415 -0.489 177 HG13 VAL 27 3HG1 VAL 27 -0.038 -3.011 -1.501 178 HG21 VAL 27 1HG2 VAL 27 -3.612 -3.644 -1.930 179 HG22 VAL 27 2HG2 VAL 27 -3.098 -2.746 -0.501 180 HG23 VAL 27 3HG2 VAL 27 -2.333 -2.437 -2.060 181 H LYS 28 H LYS 28 1.002 -5.185 -2.188 182 HA LYS 28 HA LYS 28 1.228 -8.071 -1.823 183 HB2 LYS 28 1HB LYS 28 3.420 -6.012 -2.127 184 HB3 LYS 28 2HB LYS 28 3.604 -7.759 -2.215 185 HG2 LYS 28 1HG LYS 28 1.903 -6.178 -4.124 186 HG3 LYS 28 2HG LYS 28 3.602 -6.561 -4.413 187 HD2 LYS 28 1HD LYS 28 1.653 -8.735 -3.748 188 HD3 LYS 28 2HD LYS 28 1.758 -8.106 -5.395 189 HE2 LYS 28 1HE LYS 28 3.268 -9.830 -5.500 190 HE3 LYS 28 2HE LYS 28 4.328 -8.497 -5.043 191 HZ1 LYS 28 1HZ LYS 28 4.091 -10.869 -3.733 192 HZ2 LYS 28 2HZ LYS 28 3.170 -9.817 -2.780 193 HZ3 LYS 28 3HZ LYS 28 4.791 -9.460 -3.107 194 H LEU 29 H LEU 29 1.181 -8.858 0.169 195 HA LEU 29 HA LEU 29 1.705 -7.202 2.463 196 HB2 LEU 29 1HB LEU 29 -0.040 -9.022 2.316 197 HB3 LEU 29 2HB LEU 29 1.284 -10.181 2.418 198 HG LEU 29 HG LEU 29 1.872 -9.006 4.629 199 HD11 LEU 29 1HD1 LEU 29 -0.356 -7.446 3.819 200 HD12 LEU 29 2HD1 LEU 29 0.622 -7.298 5.278 201 HD13 LEU 29 3HD1 LEU 29 -0.804 -8.335 5.275 202 HD21 LEU 29 1HD2 LEU 29 -0.347 -10.889 4.053 203 HD22 LEU 29 2HD2 LEU 29 -0.212 -10.259 5.694 204 HD23 LEU 29 3HD2 LEU 29 1.140 -11.132 4.971 205 H GLY 30 H GLY 30 3.702 -6.763 3.117 206 HA2 GLY 30 1HA GLY 30 5.693 -7.569 4.211 207 HA3 GLY 30 2HA GLY 30 5.671 -8.955 3.131 208 H SER 31 H SER 31 4.969 -5.950 1.665 209 HA SER 31 HA SER 31 7.726 -5.360 0.989 210 HB2 SER 31 1HB SER 31 6.798 -7.175 -0.614 211 HB3 SER 31 2HB SER 31 5.839 -5.864 -1.299 212 HG SER 31 HG SER 31 8.231 -6.446 -1.985 213 H ALA 32 H ALA 32 8.031 -3.279 0.225 214 HA ALA 32 HA ALA 32 6.220 -1.319 1.016 215 HB1 ALA 32 1HB ALA 32 7.675 0.049 -0.771 216 HB2 ALA 32 2HB ALA 32 8.274 -0.393 0.827 217 HB3 ALA 32 3HB ALA 32 8.707 -1.368 -0.577 218 H ALA 33 H ALA 33 4.215 -1.149 0.229 219 HA ALA 33 HA ALA 33 3.806 -1.384 -2.672 220 HB1 ALA 33 1HB ALA 33 2.491 -2.719 -0.794 221 HB2 ALA 33 2HB ALA 33 1.497 -1.263 -0.815 222 HB3 ALA 33 3HB ALA 33 1.717 -2.201 -2.292 223 H ASP 34 H ASP 34 3.291 0.349 -3.846 224 HA ASP 34 HA ASP 34 3.028 2.915 -2.518 225 HB2 ASP 34 1HB ASP 34 3.203 2.161 -5.441 226 HB3 ASP 34 2HB ASP 34 3.090 3.817 -4.853 227 H PHE 35 H PHE 35 1.221 4.125 -2.378 228 HA PHE 35 HA PHE 35 -1.225 3.040 -3.614 229 HB2 PHE 35 1HB PHE 35 -0.861 4.368 -0.925 230 HB3 PHE 35 2HB PHE 35 -2.435 4.070 -1.656 231 HD1 PHE 35 1HD PHE 35 0.497 2.543 -0.093 232 HD2 PHE 35 2HD PHE 35 -3.339 1.840 -1.798 233 HE1 PHE 35 1HE PHE 35 0.489 0.278 0.868 234 HE2 PHE 35 2HE PHE 35 -3.353 -0.426 -0.839 235 HZ PHE 35 HZ PHE 35 -1.438 -1.209 0.497 236 H LEU 36 H LEU 36 -2.167 4.337 -5.037 237 HA LEU 36 HA LEU 36 -1.366 7.144 -5.151 238 HB2 LEU 36 1HB LEU 36 -1.332 5.566 -7.152 239 HB3 LEU 36 2HB LEU 36 -3.090 5.685 -7.132 240 HG LEU 36 HG LEU 36 -2.656 8.245 -7.291 241 HD11 LEU 36 1HD1 LEU 36 -0.449 8.683 -7.160 242 HD12 LEU 36 2HD1 LEU 36 -0.495 8.329 -8.887 243 HD13 LEU 36 3HD1 LEU 36 0.015 7.085 -7.746 244 HD21 LEU 36 1HD2 LEU 36 -2.110 7.690 -9.890 245 HD22 LEU 36 2HD2 LEU 36 -3.710 7.575 -9.157 246 HD23 LEU 36 3HD2 LEU 36 -2.711 6.130 -9.325 247 H LEU 37 H LEU 37 -2.595 8.623 -4.213 248 HA LEU 37 HA LEU 37 -5.511 8.223 -4.181 249 HB2 LEU 37 1HB LEU 37 -5.707 8.857 -1.972 250 HB3 LEU 37 2HB LEU 37 -4.244 7.874 -1.959 251 HG LEU 37 HG LEU 37 -4.333 10.891 -1.955 252 HD11 LEU 37 1HD1 LEU 37 -3.525 10.688 0.343 253 HD12 LEU 37 2HD1 LEU 37 -3.672 8.935 0.242 254 HD13 LEU 37 3HD1 LEU 37 -5.113 9.946 0.149 255 HD21 LEU 37 1HD2 LEU 37 -2.278 10.607 -2.831 256 HD22 LEU 37 2HD2 LEU 37 -2.183 8.917 -2.336 257 HD23 LEU 37 3HD2 LEU 37 -1.842 10.198 -1.171 258 H ASP 38 H ASP 38 -6.763 10.205 -4.035 259 HA ASP 38 HA ASP 38 -5.397 12.420 -5.394 260 HB2 ASP 38 1HB ASP 38 -7.252 11.600 -6.667 261 HB3 ASP 38 2HB ASP 38 -8.308 11.628 -5.257 262 H ILE 39 H ILE 39 -4.568 13.661 -3.779 263 HA ILE 39 HA ILE 39 -6.492 14.720 -1.813 264 HB ILE 39 HB ILE 39 -4.302 15.209 -0.474 265 HG12 ILE 39 1HG1 ILE 39 -3.428 12.765 -2.019 266 HG13 ILE 39 2HG1 ILE 39 -2.871 14.390 -2.399 267 HG21 ILE 39 1HG2 ILE 39 -4.622 13.211 0.777 268 HG22 ILE 39 2HG2 ILE 39 -6.194 13.678 0.131 269 HG23 ILE 39 3HG2 ILE 39 -5.286 12.369 -0.623 270 HD11 ILE 39 1HD1 ILE 39 -1.892 12.563 -0.448 271 HD12 ILE 39 2HD1 ILE 39 -1.257 14.142 -0.914 272 HD13 ILE 39 3HD1 ILE 39 -2.470 14.020 0.360 273 H SER 40 H SER 40 -6.374 16.919 -1.304 274 HA SER 40 HA SER 40 -5.242 18.560 -3.423 275 HB2 SER 40 1HB SER 40 -7.123 19.183 -1.139 276 HB3 SER 40 2HB SER 40 -6.522 20.404 -2.261 277 HG SER 40 HG SER 40 -8.634 19.053 -2.626 278 H GLU 41 H GLU 41 -3.459 17.298 -1.508 279 HA GLU 41 HA GLU 41 -2.259 19.725 -0.349 280 HB2 GLU 41 1HB GLU 41 -2.385 16.952 0.838 281 HB3 GLU 41 2HB GLU 41 -1.316 18.213 1.436 282 HG2 GLU 41 1HG GLU 41 -4.296 18.055 1.552 283 HG3 GLU 41 2HG GLU 41 -3.140 18.330 2.854 284 H THR 42 H THR 42 -0.368 20.188 -1.235 285 HA THR 42 HA THR 42 1.068 18.135 -2.727 286 HB THR 42 HB THR 42 0.647 20.353 -3.773 287 HG1 THR 42 1HG THR 42 2.587 20.306 -4.755 288 HG21 THR 42 1HG2 THR 42 0.949 21.669 -1.664 289 HG22 THR 42 2HG2 THR 42 1.838 22.306 -3.048 290 HG23 THR 42 3HG2 THR 42 2.684 21.389 -1.803 291 H ASP 43 H ASP 43 1.676 20.496 -0.143 292 HA ASP 43 HA ASP 43 4.329 20.017 0.375 293 HB2 ASP 43 1HB ASP 43 2.330 20.337 2.605 294 HB3 ASP 43 2HB ASP 43 3.986 20.931 2.526 295 H LEU 44 H LEU 44 5.485 18.327 1.025 296 HA LEU 44 HA LEU 44 4.101 15.896 1.826 297 HB2 LEU 44 1HB LEU 44 6.780 16.578 0.771 298 HB3 LEU 44 2HB LEU 44 6.675 15.167 1.820 299 HG LEU 44 HG LEU 44 4.769 15.352 -0.453 300 HD11 LEU 44 1HD1 LEU 44 7.596 14.411 -0.853 301 HD12 LEU 44 2HD1 LEU 44 7.040 16.017 -1.322 302 HD13 LEU 44 3HD1 LEU 44 6.322 14.585 -2.061 303 HD21 LEU 44 1HD2 LEU 44 4.364 13.356 0.472 304 HD22 LEU 44 2HD2 LEU 44 5.899 13.342 1.342 305 HD23 LEU 44 3HD2 LEU 44 5.837 12.838 -0.348 306 H SER 45 H SER 45 6.953 17.697 2.995 307 HA SER 45 HA SER 45 7.152 16.405 5.462 308 HB2 SER 45 1HB SER 45 8.823 17.998 4.310 309 HB3 SER 45 2HB SER 45 7.907 19.296 5.077 310 HG SER 45 HG SER 45 8.879 18.845 6.874 311 H SER 46 H SER 46 5.455 19.393 4.580 312 HA SER 46 HA SER 46 4.594 20.180 7.093 313 HB2 SER 46 1HB SER 46 3.302 20.479 4.380 314 HB3 SER 46 2HB SER 46 2.644 21.228 5.835 315 HG SER 46 HG SER 46 4.916 21.860 4.377 316 H LEU 47 H LEU 47 3.670 17.450 5.258 317 HA LEU 47 HA LEU 47 1.233 17.059 6.844 318 HB2 LEU 47 1HB LEU 47 2.261 15.613 4.407 319 HB3 LEU 47 2HB LEU 47 0.770 15.215 5.257 320 HG LEU 47 HG LEU 47 1.349 17.775 3.770 321 HD11 LEU 47 1HD1 LEU 47 0.349 15.231 2.934 322 HD12 LEU 47 2HD1 LEU 47 0.620 16.690 1.982 323 HD13 LEU 47 3HD1 LEU 47 -0.926 16.443 2.794 324 HD21 LEU 47 1HD2 LEU 47 -1.256 17.905 4.198 325 HD22 LEU 47 2HD2 LEU 47 -0.093 18.537 5.365 326 HD23 LEU 47 3HD2 LEU 47 -0.826 16.952 5.619 327 H THR 48 H THR 48 0.818 14.807 7.606 328 HA THR 48 HA THR 48 3.311 13.611 8.628 329 HB THR 48 HB THR 48 0.672 13.167 9.972 330 HG1 THR 48 1HG THR 48 0.814 15.420 9.839 331 HG21 THR 48 1HG2 THR 48 3.561 13.209 10.825 332 HG22 THR 48 2HG2 THR 48 2.444 11.844 10.825 333 HG23 THR 48 3HG2 THR 48 2.227 13.161 11.976 334 H ALA 49 H ALA 49 3.455 11.343 8.765 335 HA ALA 49 HA ALA 49 1.434 9.856 7.222 336 HB1 ALA 49 1HB ALA 49 4.397 9.342 7.055 337 HB2 ALA 49 2HB ALA 49 3.118 8.622 6.075 338 HB3 ALA 49 3HB ALA 49 3.507 10.332 5.898 339 H SER 50 H SER 50 0.521 8.376 8.471 340 HA SER 50 HA SER 50 2.180 6.694 10.172 341 HB2 SER 50 1HB SER 50 1.232 8.756 11.467 342 HB3 SER 50 2HB SER 50 -0.293 7.875 11.399 343 HG SER 50 HG SER 50 1.705 7.521 13.085 344 H ILE 51 H ILE 51 1.325 4.664 10.544 345 HA ILE 51 HA ILE 51 -1.366 4.081 9.568 346 HB ILE 51 HB ILE 51 1.099 2.660 8.555 347 HG12 ILE 51 1HG1 ILE 51 -0.992 4.339 7.155 348 HG13 ILE 51 2HG1 ILE 51 0.694 4.772 7.411 349 HG21 ILE 51 1HG2 ILE 51 -0.179 0.873 8.247 350 HG22 ILE 51 2HG2 ILE 51 -1.578 1.723 8.901 351 HG23 ILE 51 3HG2 ILE 51 -1.211 1.823 7.179 352 HD11 ILE 51 1HD1 ILE 51 0.703 2.297 6.089 353 HD12 ILE 51 2HD1 ILE 51 -0.489 3.308 5.270 354 HD13 ILE 51 3HD1 ILE 51 1.170 3.874 5.452 355 H LYS 52 H LYS 52 -2.383 2.547 10.728 356 HA LYS 52 HA LYS 52 -0.782 0.828 12.493 357 HB2 LYS 52 1HB LYS 52 -1.599 2.701 13.839 358 HB3 LYS 52 2HB LYS 52 -3.244 2.385 13.305 359 HG2 LYS 52 1HG LYS 52 -3.305 1.339 15.315 360 HG3 LYS 52 2HG LYS 52 -2.731 -0.002 14.322 361 HD2 LYS 52 1HD LYS 52 -0.617 0.083 15.186 362 HD3 LYS 52 2HD LYS 52 -0.699 1.817 15.505 363 HE2 LYS 52 1HE LYS 52 -2.486 1.126 17.270 364 HE3 LYS 52 2HE LYS 52 -1.741 -0.466 17.132 365 HZ1 LYS 52 1HZ LYS 52 -0.019 0.195 18.342 366 HZ2 LYS 52 2HZ LYS 52 -0.884 1.601 18.709 367 HZ3 LYS 52 3HZ LYS 52 0.209 1.595 17.419 368 H ALA 53 H ALA 53 -1.142 -1.108 11.577 369 HA ALA 53 HA ALA 53 -3.231 -2.014 10.094 370 HB1 ALA 53 1HB ALA 53 -2.535 -4.197 11.729 371 HB2 ALA 53 2HB ALA 53 -1.925 -3.806 10.121 372 HB3 ALA 53 3HB ALA 53 -1.082 -3.212 11.551 373 HA PRO 54 HA PRO 54 -6.828 -2.626 12.530 374 HB2 PRO 54 1HB PRO 54 -7.644 -5.138 11.905 375 HB3 PRO 54 2HB PRO 54 -7.759 -3.783 10.776 376 HG2 PRO 54 1HG PRO 54 -5.694 -5.945 10.938 377 HG3 PRO 54 2HG PRO 54 -6.488 -5.262 9.507 378 HD2 PRO 54 1HD PRO 54 -3.994 -4.539 10.273 379 HD3 PRO 54 2HD PRO 54 -5.107 -3.417 9.466 380 H SER 55 H SER 55 -4.199 -4.820 12.968 381 HA SER 55 HA SER 55 -5.364 -5.939 15.406 382 HB2 SER 55 1HB SER 55 -4.158 -7.379 13.687 383 HB3 SER 55 2HB SER 55 -2.667 -6.601 14.215 384 HG SER 55 HG SER 55 -3.558 -7.306 16.423 385 H GLY 56 H GLY 56 -3.987 -3.152 14.742 386 HA2 GLY 56 1HA GLY 56 -3.128 -1.571 16.212 387 HA3 GLY 56 2HA GLY 56 -2.937 -2.837 17.416 388 H ARG 57 H ARG 57 -1.632 -3.392 14.274 389 HA ARG 57 HA ARG 57 1.065 -3.203 15.400 390 HB2 ARG 57 1HB ARG 57 0.120 -4.515 12.843 391 HB3 ARG 57 2HB ARG 57 1.752 -4.585 13.494 392 HG2 ARG 57 1HG ARG 57 -0.568 -5.558 15.108 393 HG3 ARG 57 2HG ARG 57 0.164 -6.577 13.868 394 HD2 ARG 57 1HD ARG 57 1.876 -5.245 15.925 395 HD3 ARG 57 2HD ARG 57 1.005 -6.725 16.324 396 HE ARG 57 HE ARG 57 3.357 -6.511 14.748 397 HH11 ARG 57 1HH1 ARG 57 0.385 -8.295 15.058 398 HH12 ARG 57 2HH1 ARG 57 1.012 -9.725 14.310 399 HH21 ARG 57 1HH2 ARG 57 4.196 -8.388 13.761 400 HH22 ARG 57 2HH2 ARG 57 3.181 -9.777 13.573 401 H ASP 58 H ASP 58 2.291 -1.511 14.938 402 HA ASP 58 HA ASP 58 1.497 0.429 12.985 403 HB2 ASP 58 1HB ASP 58 2.506 1.354 14.892 404 HB3 ASP 58 2HB ASP 58 3.819 0.182 14.878 405 H GLU 59 H GLU 59 2.539 1.007 11.082 406 HA GLU 59 HA GLU 59 4.532 -0.914 10.076 407 HB2 GLU 59 1HB GLU 59 2.344 0.364 8.431 408 HB3 GLU 59 2HB GLU 59 3.510 -0.832 7.884 409 HG2 GLU 59 1HG GLU 59 1.312 -1.252 9.895 410 HG3 GLU 59 2HG GLU 59 1.373 -1.873 8.247 411 HA PRO 60 HA PRO 60 7.023 2.603 9.192 412 HB2 PRO 60 1HB PRO 60 8.617 1.534 7.270 413 HB3 PRO 60 2HB PRO 60 8.771 1.125 8.983 414 HG2 PRO 60 1HG PRO 60 7.403 -0.386 6.790 415 HG3 PRO 60 2HG PRO 60 8.447 -0.996 8.087 416 HD2 PRO 60 1HD PRO 60 5.745 -1.161 8.191 417 HD3 PRO 60 2HD PRO 60 6.747 -0.959 9.644 418 H CYS 61 H CYS 61 5.444 3.982 8.271 419 HA CYS 61 HA CYS 61 5.082 3.800 5.367 420 HB2 CYS 61 1HB CYS 61 3.266 5.456 5.706 421 HB3 CYS 61 2HB CYS 61 3.020 3.978 6.629 422 HG CYS 61 HG CYS 61 4.563 6.519 8.230 423 H LEU 62 H LEU 62 5.590 5.490 3.992 424 HA LEU 62 HA LEU 62 6.888 7.853 5.112 425 HB2 LEU 62 1HB LEU 62 8.496 5.858 4.477 426 HB3 LEU 62 2HB LEU 62 8.261 6.491 2.849 427 HG LEU 62 HG LEU 62 10.308 7.357 3.820 428 HD11 LEU 62 1HD1 LEU 62 8.756 8.762 2.348 429 HD12 LEU 62 2HD1 LEU 62 10.014 9.602 3.252 430 HD13 LEU 62 3HD1 LEU 62 8.348 9.627 3.830 431 HD21 LEU 62 1HD2 LEU 62 9.438 7.182 6.198 432 HD22 LEU 62 2HD2 LEU 62 8.646 8.732 5.915 433 HD23 LEU 62 3HD2 LEU 62 10.402 8.608 5.814 434 H LEU 63 H LEU 63 6.035 9.574 4.168 435 HA LEU 63 HA LEU 63 4.512 9.342 1.741 436 HB2 LEU 63 1HB LEU 63 5.040 11.453 3.755 437 HB3 LEU 63 2HB LEU 63 4.540 11.973 2.148 438 HG LEU 63 HG LEU 63 2.982 10.101 3.930 439 HD11 LEU 63 1HD1 LEU 63 2.565 12.027 5.027 440 HD12 LEU 63 2HD1 LEU 63 1.444 12.288 3.692 441 HD13 LEU 63 3HD1 LEU 63 3.041 13.037 3.662 442 HD21 LEU 63 1HD2 LEU 63 1.246 11.084 2.097 443 HD22 LEU 63 2HD2 LEU 63 2.082 9.538 1.949 444 HD23 LEU 63 3HD2 LEU 63 2.719 10.967 1.135 445 H LYS 64 H LYS 64 5.073 9.927 -0.276 446 HA LYS 64 HA LYS 64 7.526 11.467 -0.695 447 HB2 LYS 64 1HB LYS 64 8.385 9.906 -2.329 448 HB3 LYS 64 2HB LYS 64 8.135 9.066 -0.804 449 HG2 LYS 64 1HG LYS 64 5.861 8.386 -1.801 450 HG3 LYS 64 2HG LYS 64 6.572 8.858 -3.346 451 HD2 LYS 64 1HD LYS 64 7.849 6.897 -1.446 452 HD3 LYS 64 2HD LYS 64 6.791 6.423 -2.777 453 HE2 LYS 64 1HE LYS 64 9.288 8.071 -3.129 454 HE3 LYS 64 2HE LYS 64 9.252 6.314 -3.269 455 HZ1 LYS 64 1HZ LYS 64 8.958 7.848 -5.354 456 HZ2 LYS 64 2HZ LYS 64 7.342 7.866 -4.856 457 HZ3 LYS 64 3HZ LYS 64 8.101 6.397 -5.215 458 H ARG 65 H ARG 65 7.765 11.782 -3.224 459 HA ARG 65 HA ARG 65 5.135 12.702 -4.162 460 HB2 ARG 65 1HB ARG 65 7.268 14.239 -3.794 461 HB3 ARG 65 2HB ARG 65 7.670 13.658 -5.404 462 HG2 ARG 65 1HG ARG 65 5.170 15.131 -4.603 463 HG3 ARG 65 2HG ARG 65 6.515 15.767 -5.551 464 HD2 ARG 65 1HD ARG 65 6.052 14.105 -7.298 465 HD3 ARG 65 2HD ARG 65 4.695 13.497 -6.350 466 HE ARG 65 HE ARG 65 3.445 15.282 -7.058 467 HH11 ARG 65 1HH1 ARG 65 6.804 15.895 -7.734 468 HH12 ARG 65 2HH1 ARG 65 6.490 17.321 -8.667 469 HH21 ARG 65 1HH2 ARG 65 3.019 17.158 -8.284 470 HH22 ARG 65 2HH2 ARG 65 4.337 18.039 -8.979 471 H LEU 66 H LEU 66 4.229 11.638 -5.785 472 HA LEU 66 HA LEU 66 5.819 9.762 -7.343 473 HB2 LEU 66 1HB LEU 66 2.851 10.273 -7.228 474 HB3 LEU 66 2HB LEU 66 3.613 9.045 -8.238 475 HG LEU 66 HG LEU 66 3.708 9.106 -5.222 476 HD11 LEU 66 1HD1 LEU 66 2.299 6.909 -5.818 477 HD12 LEU 66 2HD1 LEU 66 1.792 7.950 -7.147 478 HD13 LEU 66 3HD1 LEU 66 1.556 8.472 -5.479 479 HD21 LEU 66 1HD2 LEU 66 4.234 6.584 -6.534 480 HD22 LEU 66 2HD2 LEU 66 5.184 7.446 -5.324 481 HD23 LEU 66 3HD2 LEU 66 5.378 7.828 -7.036 482 HA PRO 67 HA PRO 67 6.120 12.210 -10.975 483 HB2 PRO 67 1HB PRO 67 5.993 10.301 -12.900 484 HB3 PRO 67 2HB PRO 67 7.404 10.522 -11.859 485 HG2 PRO 67 1HG PRO 67 5.177 8.534 -11.635 486 HG3 PRO 67 2HG PRO 67 6.920 8.291 -11.418 487 HD2 PRO 67 1HD PRO 67 5.216 8.566 -9.332 488 HD3 PRO 67 2HD PRO 67 6.898 9.133 -9.273 489 H ASN 68 H ASN 68 5.040 12.561 -13.159 490 HA ASN 68 HA ASN 68 3.200 13.074 -14.393 491 HB2 ASN 68 1HB ASN 68 2.865 10.552 -14.186 492 HB3 ASN 68 2HB ASN 68 1.718 10.911 -12.900 493 HD21 ASN 68 1HD2 ASN 68 0.860 9.555 -15.059 494 HD22 ASN 68 2HD2 ASN 68 -0.165 10.548 -16.033 495 H ASN 69 H ASN 69 3.699 14.243 -11.725 496 HA ASN 69 HA ASN 69 2.742 15.767 -10.335 497 HB2 ASN 69 1HB ASN 69 0.498 15.655 -12.364 498 HB3 ASN 69 2HB ASN 69 0.644 16.861 -11.089 499 HD21 ASN 69 1HD2 ASN 69 1.491 18.703 -11.701 500 HD22 ASN 69 2HD2 ASN 69 2.610 18.935 -12.997 501 H HIS 70 H HIS 70 2.534 13.151 -9.544 502 HA HIS 70 HA HIS 70 -0.072 13.144 -8.179 503 HB2 HIS 70 1HB HIS 70 1.379 10.681 -9.168 504 HB3 HIS 70 2HB HIS 70 -0.181 10.722 -8.351 505 HD1 HIS 70 1HD HIS 70 -1.149 13.246 -10.150 506 HD2 HIS 70 2HD HIS 70 0.244 9.563 -11.473 507 HE1 HIS 70 1HE HIS 70 -2.090 12.964 -12.465 508 HE2 HIS 70 2HE HIS 70 -1.303 10.690 -13.211 509 H ILE 71 H ILE 71 -0.075 11.949 -6.133 510 HA ILE 71 HA ILE 71 2.544 11.524 -4.916 511 HB ILE 71 HB ILE 71 0.502 13.461 -3.828 512 HG12 ILE 71 1HG1 ILE 71 3.431 13.847 -4.469 513 HG13 ILE 71 2HG1 ILE 71 2.117 14.293 -5.552 514 HG21 ILE 71 1HG2 ILE 71 2.468 11.814 -2.458 515 HG22 ILE 71 2HG2 ILE 71 2.679 13.536 -2.145 516 HG23 ILE 71 3HG2 ILE 71 1.132 12.762 -1.805 517 HD11 ILE 71 1HD1 ILE 71 1.280 15.861 -3.876 518 HD12 ILE 71 2HD1 ILE 71 2.612 15.421 -2.807 519 HD13 ILE 71 3HD1 ILE 71 2.942 16.220 -4.344 520 H GLY 72 H GLY 72 2.556 9.995 -3.321 521 HA2 GLY 72 1HA GLY 72 0.034 9.064 -2.194 522 HA3 GLY 72 2HA GLY 72 0.906 7.914 -3.197 523 H ILE 73 H ILE 73 0.617 6.886 -0.906 524 HA ILE 73 HA ILE 73 2.910 7.621 0.783 525 HB ILE 73 HB ILE 73 0.584 7.525 1.798 526 HG12 ILE 73 1HG1 ILE 73 2.329 5.542 3.194 527 HG13 ILE 73 2HG1 ILE 73 2.956 7.164 2.921 528 HG21 ILE 73 1HG2 ILE 73 -0.573 5.576 2.016 529 HG22 ILE 73 2HG2 ILE 73 0.246 5.247 0.489 530 HG23 ILE 73 3HG2 ILE 73 0.882 4.579 1.992 531 HD11 ILE 73 1HD1 ILE 73 0.296 6.709 4.218 532 HD12 ILE 73 2HD1 ILE 73 1.802 6.692 5.138 533 HD13 ILE 73 3HD1 ILE 73 1.319 8.144 4.261 534 H SER 74 H SER 74 4.329 6.014 1.545 535 HA SER 74 HA SER 74 4.225 3.454 0.091 536 HB2 SER 74 1HB SER 74 5.934 5.139 -0.799 537 HB3 SER 74 2HB SER 74 6.801 4.896 0.718 538 HG SER 74 HG SER 74 7.663 3.407 -0.600 539 H PHE 75 H PHE 75 3.860 1.932 1.560 540 HA PHE 75 HA PHE 75 5.609 1.763 3.882 541 HB2 PHE 75 1HB PHE 75 3.943 1.724 5.510 542 HB3 PHE 75 2HB PHE 75 3.386 2.998 4.431 543 HD1 PHE 75 1HD PHE 75 1.504 2.601 2.909 544 HD2 PHE 75 2HD PHE 75 2.737 -0.318 5.751 545 HE1 PHE 75 1HE PHE 75 -0.641 1.428 2.629 546 HE2 PHE 75 2HE PHE 75 0.595 -1.496 5.475 547 HZ PHE 75 HZ PHE 75 -1.098 -0.624 3.912 548 H ILE 76 H ILE 76 5.491 -0.352 4.949 549 HA ILE 76 HA ILE 76 4.824 -2.449 3.001 550 HB ILE 76 HB ILE 76 6.605 -2.745 5.416 551 HG12 ILE 76 1HG1 ILE 76 7.696 -2.463 2.646 552 HG13 ILE 76 2HG1 ILE 76 7.251 -1.007 3.530 553 HG21 ILE 76 1HG2 ILE 76 7.426 -4.715 4.265 554 HG22 ILE 76 2HG2 ILE 76 5.676 -4.807 4.454 555 HG23 ILE 76 3HG2 ILE 76 6.373 -4.378 2.892 556 HD11 ILE 76 1HD1 ILE 76 8.723 -1.911 5.405 557 HD12 ILE 76 2HD1 ILE 76 9.350 -3.033 4.196 558 HD13 ILE 76 3HD1 ILE 76 9.521 -1.295 3.957 559 HA PRO 77 HA PRO 77 1.485 -3.215 5.967 560 HB2 PRO 77 1HB PRO 77 0.018 -4.712 4.242 561 HB3 PRO 77 2HB PRO 77 0.005 -2.945 4.231 562 HG2 PRO 77 1HG PRO 77 1.516 -4.838 2.473 563 HG3 PRO 77 2HG PRO 77 0.643 -3.359 2.034 564 HD2 PRO 77 1HD PRO 77 3.336 -3.432 2.315 565 HD3 PRO 77 2HD PRO 77 2.374 -1.989 2.699 566 H ARG 78 H ARG 78 1.792 -4.721 7.473 567 HA ARG 78 HA ARG 78 3.002 -7.274 6.759 568 HB2 ARG 78 1HB ARG 78 3.574 -5.706 8.809 569 HB3 ARG 78 2HB ARG 78 2.240 -6.571 9.560 570 HG2 ARG 78 1HG ARG 78 4.151 -7.749 10.197 571 HG3 ARG 78 2HG ARG 78 3.458 -8.704 8.885 572 HD2 ARG 78 1HD ARG 78 5.036 -7.668 7.316 573 HD3 ARG 78 2HD ARG 78 5.733 -6.738 8.641 574 HE ARG 78 HE ARG 78 5.797 -9.514 9.213 575 HH11 ARG 78 1HH1 ARG 78 7.352 -7.057 7.298 576 HH12 ARG 78 2HH1 ARG 78 8.870 -7.889 7.229 577 HH21 ARG 78 1HH2 ARG 78 7.791 -10.617 9.130 578 HH22 ARG 78 2HH2 ARG 78 9.119 -9.914 8.270 579 H GLU 79 H GLU 79 -0.008 -5.952 7.979 580 HA GLU 79 HA GLU 79 -1.157 -8.663 7.995 581 HB2 GLU 79 1HB GLU 79 -1.331 -7.608 10.162 582 HB3 GLU 79 2HB GLU 79 -2.030 -6.162 9.447 583 HG2 GLU 79 1HG GLU 79 -3.822 -7.321 10.409 584 HG3 GLU 79 2HG GLU 79 -3.942 -7.622 8.676 585 H VAL 80 H VAL 80 -3.269 -8.960 7.112 586 HA VAL 80 HA VAL 80 -3.840 -7.086 4.922 587 HB VAL 80 HB VAL 80 -5.120 -8.931 3.904 588 HG11 VAL 80 1HG1 VAL 80 -3.261 -9.601 2.878 589 HG12 VAL 80 2HG1 VAL 80 -2.369 -8.648 4.065 590 HG13 VAL 80 3HG1 VAL 80 -2.643 -10.370 4.340 591 HG21 VAL 80 1HG2 VAL 80 -4.084 -10.571 6.215 592 HG22 VAL 80 2HG2 VAL 80 -5.761 -10.079 5.976 593 HG23 VAL 80 3HG2 VAL 80 -4.992 -11.180 4.832 594 H GLY 81 H GLY 81 -5.843 -6.185 4.639 595 HA2 GLY 81 1HA GLY 81 -8.300 -6.708 5.397 596 HA3 GLY 81 2HA GLY 81 -7.615 -6.319 6.968 597 H GLU 82 H GLU 82 -8.571 -4.431 7.467 598 HA GLU 82 HA GLU 82 -8.543 -2.286 5.458 599 HB2 GLU 82 1HB GLU 82 -10.745 -2.764 6.355 600 HB3 GLU 82 2HB GLU 82 -10.148 -2.594 8.000 601 HG2 GLU 82 1HG GLU 82 -9.491 -0.190 7.156 602 HG3 GLU 82 2HG GLU 82 -10.762 -0.509 5.978 603 H HIS 83 H HIS 83 -6.683 -1.188 5.606 604 HA HIS 83 HA HIS 83 -5.569 -0.585 8.243 605 HB2 HIS 83 1HB HIS 83 -4.479 -0.573 5.455 606 HB3 HIS 83 2HB HIS 83 -3.698 0.410 6.689 607 HD1 HIS 83 1HD HIS 83 -5.044 -3.149 6.860 608 HD2 HIS 83 2HD HIS 83 -1.533 -1.010 7.457 609 HE1 HIS 83 1HE HIS 83 -3.373 -4.825 7.707 610 HE2 HIS 83 2HE HIS 83 -1.281 -3.492 8.143 611 H LEU 84 H LEU 84 -5.456 1.433 9.081 612 HA LEU 84 HA LEU 84 -6.775 3.570 7.549 613 HB2 LEU 84 1HB LEU 84 -6.579 2.961 10.470 614 HB3 LEU 84 2HB LEU 84 -6.892 4.610 9.931 615 HG LEU 84 HG LEU 84 -8.618 2.222 9.279 616 HD11 LEU 84 1HD1 LEU 84 -9.927 4.163 10.885 617 HD12 LEU 84 2HD1 LEU 84 -8.413 3.722 11.674 618 HD13 LEU 84 3HD1 LEU 84 -9.586 2.473 11.255 619 HD21 LEU 84 1HD2 LEU 84 -9.104 3.675 7.584 620 HD22 LEU 84 2HD2 LEU 84 -8.662 5.099 8.526 621 HD23 LEU 84 3HD2 LEU 84 -10.199 4.287 8.824 622 H VAL 85 H VAL 85 -5.456 5.024 6.697 623 HA VAL 85 HA VAL 85 -2.801 5.431 7.849 624 HB VAL 85 HB VAL 85 -3.877 6.649 5.309 625 HG11 VAL 85 1HG1 VAL 85 -1.039 5.982 5.537 626 HG12 VAL 85 2HG1 VAL 85 -1.816 7.463 4.974 627 HG13 VAL 85 3HG1 VAL 85 -1.587 7.186 6.702 628 HG21 VAL 85 1HG2 VAL 85 -2.318 4.081 5.558 629 HG22 VAL 85 2HG2 VAL 85 -4.058 4.166 5.281 630 HG23 VAL 85 3HG2 VAL 85 -2.940 4.812 4.078 631 H SER 86 H SER 86 -2.578 6.967 9.325 632 HA SER 86 HA SER 86 -4.471 9.141 9.530 633 HB2 SER 86 1HB SER 86 -1.967 8.968 11.173 634 HB3 SER 86 2HB SER 86 -3.561 9.565 11.631 635 HG SER 86 HG SER 86 -2.761 7.344 12.352 636 H ILE 87 H ILE 87 -4.274 10.786 8.155 637 HA ILE 87 HA ILE 87 -1.578 11.879 7.675 638 HB ILE 87 HB ILE 87 -3.902 12.115 5.769 639 HG12 ILE 87 1HG1 ILE 87 -3.429 9.797 5.785 640 HG13 ILE 87 2HG1 ILE 87 -2.546 10.434 4.402 641 HG21 ILE 87 1HG2 ILE 87 -1.206 12.311 4.709 642 HG22 ILE 87 2HG2 ILE 87 -2.577 13.403 4.522 643 HG23 ILE 87 3HG2 ILE 87 -1.537 13.527 5.942 644 HD11 ILE 87 1HD1 ILE 87 -0.878 9.209 5.267 645 HD12 ILE 87 2HD1 ILE 87 -0.651 10.622 6.297 646 HD13 ILE 87 3HD1 ILE 87 -1.557 9.232 6.894 647 H LYS 88 H LYS 88 -1.325 13.727 8.728 648 HA LYS 88 HA LYS 88 -3.526 15.675 8.700 649 HB2 LYS 88 1HB LYS 88 -1.757 15.563 11.095 650 HB3 LYS 88 2HB LYS 88 -3.430 16.087 10.961 651 HG2 LYS 88 1HG LYS 88 -4.237 13.884 10.990 652 HG3 LYS 88 2HG LYS 88 -2.640 13.207 10.667 653 HD2 LYS 88 1HD LYS 88 -1.922 14.171 12.891 654 HD3 LYS 88 2HD LYS 88 -3.628 14.499 13.201 655 HE2 LYS 88 1HE LYS 88 -4.079 12.073 12.808 656 HE3 LYS 88 2HE LYS 88 -2.337 11.817 12.720 657 HZ1 LYS 88 1HZ LYS 88 -2.801 11.356 14.911 658 HZ2 LYS 88 2HZ LYS 88 -3.986 12.554 15.043 659 HZ3 LYS 88 3HZ LYS 88 -2.351 12.983 15.009 660 H LYS 89 H LYS 89 -2.639 17.890 9.492 661 HA LYS 89 HA LYS 89 0.071 18.314 8.432 662 HB2 LYS 89 1HB LYS 89 -1.595 18.930 6.714 663 HB3 LYS 89 2HB LYS 89 -2.335 20.050 7.849 664 HG2 LYS 89 1HG LYS 89 -0.016 21.149 7.961 665 HG3 LYS 89 2HG LYS 89 0.323 20.238 6.488 666 HD2 LYS 89 1HD LYS 89 -2.190 21.831 6.631 667 HD3 LYS 89 2HD LYS 89 -0.662 22.683 6.392 668 HE2 LYS 89 1HE LYS 89 -0.192 21.319 4.431 669 HE3 LYS 89 2HE LYS 89 -1.681 20.410 4.688 670 HZ1 LYS 89 1HZ LYS 89 -2.320 21.940 3.123 671 HZ2 LYS 89 2HZ LYS 89 -1.332 23.168 3.736 672 HZ3 LYS 89 3HZ LYS 89 -2.758 22.750 4.543 673 H ASN 90 H ASN 90 1.254 19.033 10.074 674 HA ASN 90 HA ASN 90 1.955 20.234 11.872 675 HB2 ASN 90 1HB ASN 90 -0.180 22.071 10.797 676 HB3 ASN 90 2HB ASN 90 0.769 22.484 12.222 677 HD21 ASN 90 1HD2 ASN 90 1.823 20.765 9.334 678 HD22 ASN 90 2HD2 ASN 90 2.983 21.945 8.835 679 H GLY 91 H GLY 91 -0.145 18.191 12.154 680 HA2 GLY 91 1HA GLY 91 -1.036 17.306 14.136 681 HA3 GLY 91 2HA GLY 91 -0.955 18.905 14.860 682 H ASN 92 H ASN 92 -2.347 18.765 11.738 683 HA ASN 92 HA ASN 92 -5.056 18.716 12.882 684 HB2 ASN 92 1HB ASN 92 -3.854 20.766 11.030 685 HB3 ASN 92 2HB ASN 92 -5.595 20.514 11.120 686 HD21 ASN 92 1HD2 ASN 92 -3.497 22.630 12.011 687 HD22 ASN 92 2HD2 ASN 92 -4.044 23.056 13.593 688 H HIS 93 H HIS 93 -5.781 16.822 12.095 689 HA HIS 93 HA HIS 93 -5.150 15.342 9.972 690 HB2 HIS 93 1HB HIS 93 -7.780 15.911 11.246 691 HB3 HIS 93 2HB HIS 93 -7.789 15.012 9.732 692 HD1 HIS 93 1HD HIS 93 -6.988 12.596 9.792 693 HD2 HIS 93 2HD HIS 93 -6.547 14.568 13.422 694 HE1 HIS 93 1HE HIS 93 -6.418 10.807 11.464 695 HE2 HIS 93 2HE HIS 93 -6.240 12.012 13.668 696 H VAL 94 H VAL 94 -5.520 15.226 7.775 697 HA VAL 94 HA VAL 94 -6.269 17.764 6.511 698 HB VAL 94 HB VAL 94 -5.205 16.829 4.474 699 HG11 VAL 94 1HG1 VAL 94 -3.049 17.360 5.123 700 HG12 VAL 94 2HG1 VAL 94 -4.017 18.130 6.382 701 HG13 VAL 94 3HG1 VAL 94 -3.222 16.587 6.699 702 HG21 VAL 94 1HG2 VAL 94 -3.705 14.735 5.739 703 HG22 VAL 94 2HG2 VAL 94 -5.433 14.403 5.869 704 HG23 VAL 94 3HG2 VAL 94 -4.703 14.671 4.286 705 H ALA 95 H ALA 95 -7.167 17.306 4.153 706 HA ALA 95 HA ALA 95 -9.752 16.171 4.525 707 HB1 ALA 95 1HB ALA 95 -9.730 17.982 3.071 708 HB2 ALA 95 2HB ALA 95 -8.320 17.387 2.194 709 HB3 ALA 95 3HB ALA 95 -9.884 16.602 1.983 710 H ASN 96 H ASN 96 -10.606 14.270 3.815 711 HA ASN 96 HA ASN 96 -10.721 12.138 3.019 712 HB2 ASN 96 1HB ASN 96 -8.176 12.703 1.493 713 HB3 ASN 96 2HB ASN 96 -9.396 11.485 1.133 714 HD21 ASN 96 1HD2 ASN 96 -8.345 14.638 0.580 715 HD22 ASN 96 2HD2 ASN 96 -9.706 15.200 -0.324 716 H SER 97 H SER 97 -9.200 12.900 5.420 717 HA SER 97 HA SER 97 -7.527 10.486 5.618 718 HB2 SER 97 1HB SER 97 -5.933 12.229 5.613 719 HB3 SER 97 2HB SER 97 -6.942 13.269 6.618 720 HG SER 97 HG SER 97 -5.643 12.489 8.110 721 HA PRO 98 HA PRO 98 -6.321 9.560 7.304 722 HB2 PRO 98 1HB PRO 98 -6.854 7.036 8.153 723 HB3 PRO 98 2HB PRO 98 -6.284 8.314 9.234 724 HG2 PRO 98 1HG PRO 98 -9.068 7.307 8.795 725 HG3 PRO 98 2HG PRO 98 -8.254 7.717 10.316 726 HD2 PRO 98 1HD PRO 98 -10.001 9.392 9.102 727 HD3 PRO 98 2HD PRO 98 -8.618 9.977 10.048 728 H VAL 99 H VAL 99 -5.734 7.985 5.714 729 HA VAL 99 HA VAL 99 -7.772 7.637 3.684 730 HB VAL 99 HB VAL 99 -4.886 6.758 3.579 731 HG11 VAL 99 1HG1 VAL 99 -6.189 7.586 1.113 732 HG12 VAL 99 2HG1 VAL 99 -5.267 6.124 1.471 733 HG13 VAL 99 3HG1 VAL 99 -6.983 6.208 1.875 734 HG21 VAL 99 1HG2 VAL 99 -4.214 8.836 2.955 735 HG22 VAL 99 2HG2 VAL 99 -5.770 9.246 2.233 736 HG23 VAL 99 3HG2 VAL 99 -5.568 9.306 3.984 737 H SER 100 H SER 100 -8.963 5.870 3.466 738 HA SER 100 HA SER 100 -8.350 3.501 5.010 739 HB2 SER 100 1HB SER 100 -10.538 2.718 4.357 740 HB3 SER 100 2HB SER 100 -10.675 4.418 4.806 741 HG SER 100 HG SER 100 -10.959 3.200 2.327 742 H ILE 101 H ILE 101 -7.136 1.906 4.266 743 HA ILE 101 HA ILE 101 -7.090 1.404 1.362 744 HB ILE 101 HB ILE 101 -4.806 1.069 3.311 745 HG12 ILE 101 1HG1 ILE 101 -5.104 2.958 0.967 746 HG13 ILE 101 2HG1 ILE 101 -5.317 3.417 2.652 747 HG21 ILE 101 1HG2 ILE 101 -3.485 0.300 1.494 748 HG22 ILE 101 2HG2 ILE 101 -4.970 -0.649 1.483 749 HG23 ILE 101 3HG2 ILE 101 -4.757 0.665 0.329 750 HD11 ILE 101 1HD1 ILE 101 -2.987 2.816 3.097 751 HD12 ILE 101 2HD1 ILE 101 -2.781 2.398 1.396 752 HD13 ILE 101 3HD1 ILE 101 -3.130 4.064 1.858 753 H MET 102 H MET 102 -7.099 -0.721 0.668 754 HA MET 102 HA MET 102 -7.801 -2.696 2.732 755 HB2 MET 102 1HB MET 102 -9.496 -2.138 0.944 756 HB3 MET 102 2HB MET 102 -8.398 -2.865 -0.222 757 HG2 MET 102 1HG MET 102 -9.857 -4.586 0.238 758 HG3 MET 102 2HG MET 102 -8.504 -4.933 1.314 759 HE1 MET 102 1HE MET 102 -9.662 -5.641 4.272 760 HE2 MET 102 2HE MET 102 -10.945 -6.403 3.332 761 HE3 MET 102 3HE MET 102 -9.306 -6.317 2.683 762 H VAL 103 H VAL 103 -6.287 -4.135 3.201 763 HA VAL 103 HA VAL 103 -4.228 -4.741 1.192 764 HB VAL 103 HB VAL 103 -4.172 -5.235 4.172 765 HG11 VAL 103 1HG1 VAL 103 -1.733 -5.269 2.479 766 HG12 VAL 103 2HG1 VAL 103 -2.103 -6.168 3.952 767 HG13 VAL 103 3HG1 VAL 103 -2.804 -6.667 2.412 768 HG21 VAL 103 1HG2 VAL 103 -4.039 -2.910 3.912 769 HG22 VAL 103 2HG2 VAL 103 -2.360 -3.435 4.036 770 HG23 VAL 103 3HG2 VAL 103 -3.047 -3.040 2.460 771 H VAL 104 H VAL 104 -3.899 -6.774 0.456 772 HA VAL 104 HA VAL 104 -5.348 -8.990 1.712 773 HB VAL 104 HB VAL 104 -6.120 -9.822 -0.465 774 HG11 VAL 104 1HG1 VAL 104 -7.362 -8.059 1.060 775 HG12 VAL 104 2HG1 VAL 104 -7.177 -7.045 -0.372 776 HG13 VAL 104 3HG1 VAL 104 -8.037 -8.581 -0.482 777 HG21 VAL 104 1HG2 VAL 104 -4.842 -9.051 -2.172 778 HG22 VAL 104 2HG2 VAL 104 -6.119 -7.839 -2.258 779 HG23 VAL 104 3HG2 VAL 104 -4.607 -7.469 -1.430 780 H GLN 105 H GLN 105 -4.512 -11.075 1.210 781 HA GLN 105 HA GLN 105 -1.667 -11.071 0.811 782 HB2 GLN 105 1HB GLN 105 -3.643 -13.313 1.250 783 HB3 GLN 105 2HB GLN 105 -1.905 -13.549 1.126 784 HG2 GLN 105 1HG GLN 105 -1.828 -11.776 3.044 785 HG3 GLN 105 2HG GLN 105 -3.498 -12.284 3.299 786 HE21 GLN 105 1HE2 GLN 105 -0.540 -14.027 2.403 787 HE22 GLN 105 2HE2 GLN 105 -0.623 -15.176 3.690 788 H SER 106 H SER 106 -0.671 -11.206 -1.078 789 HA SER 106 HA SER 106 -2.046 -11.591 -3.519 790 HB2 SER 106 1HB SER 106 0.047 -11.289 -4.581 791 HB3 SER 106 2HB SER 106 0.138 -10.308 -3.118 792 HG SER 106 HG SER 106 1.309 -11.995 -2.139 793 H GLU 107 H GLU 107 -1.932 -13.295 -5.013 794 HA GLU 107 HA GLU 107 -1.025 -15.873 -3.914 795 HB2 GLU 107 1HB GLU 107 -3.555 -15.332 -5.477 796 HB3 GLU 107 2HB GLU 107 -2.960 -16.934 -5.063 797 HG2 GLU 107 1HG GLU 107 -4.072 -14.819 -3.266 798 HG3 GLU 107 2HG GLU 107 -4.576 -16.498 -3.456 799 H ILE 108 H ILE 108 0.069 -17.198 -5.276 800 HA ILE 108 HA ILE 108 0.702 -16.109 -7.923 801 HB ILE 108 HB ILE 108 2.125 -18.275 -6.372 802 HG12 ILE 108 1HG1 ILE 108 2.207 -15.947 -5.385 803 HG13 ILE 108 2HG1 ILE 108 3.770 -16.645 -5.795 804 HG21 ILE 108 1HG2 ILE 108 2.254 -17.488 -9.109 805 HG22 ILE 108 2HG2 ILE 108 3.775 -17.067 -8.321 806 HG23 ILE 108 3HG2 ILE 108 3.184 -18.728 -8.268 807 HD11 ILE 108 1HD1 ILE 108 4.231 -14.892 -7.054 808 HD12 ILE 108 2HD1 ILE 108 2.805 -15.204 -8.046 809 HD13 ILE 108 3HD1 ILE 108 2.678 -14.181 -6.615 810 H GLY 109 H GLY 109 -0.095 -17.017 -9.700 811 HA2 GLY 109 1HA GLY 109 -0.192 -19.496 -10.609 812 HA3 GLY 109 2HA GLY 109 -1.524 -19.555 -9.463 813 H ASP 110 H ASP 110 -0.341 -17.425 -12.068 814 HA ASP 110 HA ASP 110 -3.127 -16.933 -12.838 815 HB2 ASP 110 1HB ASP 110 -1.397 -15.052 -12.425 816 HB3 ASP 110 2HB ASP 110 -0.744 -15.511 -13.995 817 H SER 111 H SER 111 -3.872 -18.365 -14.262 818 HA SER 111 HA SER 111 -2.232 -19.866 -16.019 819 HB2 SER 111 1HB SER 111 -4.225 -20.867 -16.794 820 HB3 SER 111 2HB SER 111 -4.564 -20.464 -15.112 821 HG SER 111 HG SER 111 -6.108 -19.222 -15.782 822 H GLY 112 H GLY 112 -1.589 -19.503 -18.061 823 HA2 GLY 112 1HA GLY 112 -2.920 -17.846 -19.918 824 HA3 GLY 112 2HA GLY 112 -1.622 -16.933 -19.162 825 HA PRO 113 HA PRO 113 0.479 -20.619 -21.497 826 HB2 PRO 113 1HB PRO 113 -1.113 -22.040 -23.176 827 HB3 PRO 113 2HB PRO 113 -0.871 -22.479 -21.481 828 HG2 PRO 113 1HG PRO 113 -3.144 -21.001 -22.751 829 HG3 PRO 113 2HG PRO 113 -3.188 -22.279 -21.522 830 HD2 PRO 113 1HD PRO 113 -3.461 -19.656 -20.906 831 HD3 PRO 113 2HD PRO 113 -2.694 -20.821 -19.806 832 H SER 114 H SER 114 -2.179 -18.936 -23.107 833 HA SER 114 HA SER 114 -1.149 -18.877 -25.701 834 HB2 SER 114 1HB SER 114 -2.578 -16.817 -25.972 835 HB3 SER 114 2HB SER 114 -3.427 -18.221 -25.324 836 HG SER 114 HG SER 114 -2.759 -15.816 -24.097 837 H SER 115 H SER 115 0.482 -17.822 -26.627 838 HA SER 115 HA SER 115 2.504 -16.700 -26.632 839 HB2 SER 115 1HB SER 115 0.338 -14.651 -26.243 840 HB3 SER 115 2HB SER 115 2.023 -14.158 -26.417 841 HG SER 115 HG SER 115 0.778 -15.894 -28.265 842 H GLY 116 H GLY 116 2.384 -17.937 -24.225 843 HA2 GLY 116 1HA GLY 116 2.847 -15.965 -22.130 844 HA3 GLY 116 2HA GLY 116 2.806 -17.710 -21.928 Start of MODEL 12 1 H1 GLY 1 H GLY 1 19.696 -2.284 17.572 2 HA2 GLY 1 1HA GLY 1 18.127 0.050 16.710 3 HA3 GLY 1 2HA GLY 1 19.828 0.257 17.099 4 H SER 2 H SER 2 19.303 1.052 14.696 5 HA SER 2 HA SER 2 19.698 0.789 12.467 6 HB2 SER 2 1HB SER 2 21.889 -0.058 13.676 7 HB3 SER 2 2HB SER 2 21.391 -1.616 13.018 8 HG SER 2 HG SER 2 21.231 -0.429 10.950 9 H SER 3 H SER 3 17.358 -0.428 13.361 10 HA SER 3 HA SER 3 17.241 -3.020 12.012 11 HB2 SER 3 1HB SER 3 15.197 -3.397 13.132 12 HB3 SER 3 2HB SER 3 16.203 -2.567 14.320 13 HG SER 3 HG SER 3 13.912 -1.819 13.894 14 H GLY 4 H GLY 4 16.046 -3.412 10.195 15 HA2 GLY 4 1HA GLY 4 14.001 -2.053 9.053 16 HA3 GLY 4 2HA GLY 4 15.404 -1.111 8.570 17 H SER 5 H SER 5 15.071 -4.623 8.936 18 HA SER 5 HA SER 5 16.553 -5.371 6.762 19 HB2 SER 5 1HB SER 5 14.151 -6.702 8.015 20 HB3 SER 5 2HB SER 5 15.095 -7.466 6.736 21 HG SER 5 HG SER 5 16.822 -7.587 8.063 22 H SER 6 H SER 6 16.196 -5.774 4.603 23 HA SER 6 HA SER 6 13.838 -4.449 3.467 24 HB2 SER 6 1HB SER 6 16.480 -5.212 2.201 25 HB3 SER 6 2HB SER 6 15.148 -4.431 1.349 26 HG SER 6 HG SER 6 15.367 -2.793 3.128 27 H GLY 7 H GLY 7 15.843 -7.348 2.902 28 HA2 GLY 7 1HA GLY 7 14.976 -9.535 2.638 29 HA3 GLY 7 2HA GLY 7 13.400 -8.841 2.285 30 H ILE 8 H ILE 8 14.445 -10.867 0.733 31 HA ILE 8 HA ILE 8 15.960 -10.318 -1.460 32 HB ILE 8 HB ILE 8 14.247 -11.831 -2.725 33 HG12 ILE 8 1HG1 ILE 8 13.396 -12.358 0.124 34 HG13 ILE 8 2HG1 ILE 8 12.461 -11.363 -0.988 35 HG21 ILE 8 1HG2 ILE 8 15.650 -12.936 -0.301 36 HG22 ILE 8 2HG2 ILE 8 15.286 -13.775 -1.808 37 HG23 ILE 8 3HG2 ILE 8 16.474 -12.471 -1.789 38 HD11 ILE 8 1HD1 ILE 8 12.144 -13.240 -2.462 39 HD12 ILE 8 2HD1 ILE 8 13.179 -14.247 -1.448 40 HD13 ILE 8 3HD1 ILE 8 11.633 -13.667 -0.830 41 HA PRO 9 HA PRO 9 13.965 -7.148 -3.769 42 HB2 PRO 9 1HB PRO 9 14.976 -7.691 -6.229 43 HB3 PRO 9 2HB PRO 9 15.935 -6.962 -4.936 44 HG2 PRO 9 1HG PRO 9 15.824 -9.816 -5.835 45 HG3 PRO 9 2HG PRO 9 17.235 -8.834 -5.400 46 HD2 PRO 9 1HD PRO 9 16.129 -10.628 -3.700 47 HD3 PRO 9 2HD PRO 9 16.903 -9.132 -3.139 48 H GLY 10 H GLY 10 11.813 -8.068 -3.479 49 HA2 GLY 10 1HA GLY 10 10.780 -10.021 -5.278 50 HA3 GLY 10 2HA GLY 10 9.835 -8.986 -4.218 51 H SER 11 H SER 11 10.022 -9.818 -7.278 52 HA SER 11 HA SER 11 9.675 -7.103 -8.351 53 HB2 SER 11 1HB SER 11 9.973 -8.164 -10.580 54 HB3 SER 11 2HB SER 11 11.364 -8.403 -9.525 55 HG SER 11 HG SER 11 10.833 -10.352 -10.505 56 HA PRO 12 HA PRO 12 5.348 -8.576 -8.068 57 HB2 PRO 12 1HB PRO 12 4.309 -6.088 -7.745 58 HB3 PRO 12 2HB PRO 12 4.961 -7.038 -6.405 59 HG2 PRO 12 1HG PRO 12 6.249 -4.831 -7.965 60 HG3 PRO 12 2HG PRO 12 6.266 -5.123 -6.215 61 HD2 PRO 12 1HD PRO 12 8.341 -5.787 -7.822 62 HD3 PRO 12 2HD PRO 12 7.923 -6.717 -6.370 63 H PHE 13 H PHE 13 7.144 -6.781 -10.266 64 HA PHE 13 HA PHE 13 5.116 -5.768 -11.957 65 HB2 PHE 13 1HB PHE 13 7.427 -4.968 -12.079 66 HB3 PHE 13 2HB PHE 13 7.962 -6.559 -12.611 67 HD1 PHE 13 1HD PHE 13 5.930 -3.624 -13.560 68 HD2 PHE 13 2HD PHE 13 7.848 -7.190 -14.874 69 HE1 PHE 13 1HE PHE 13 5.550 -2.963 -15.900 70 HE2 PHE 13 2HE PHE 13 7.471 -6.534 -17.215 71 HZ PHE 13 HZ PHE 13 6.322 -4.418 -17.731 72 H THR 14 H THR 14 3.673 -6.896 -13.061 73 HA THR 14 HA THR 14 4.509 -9.371 -14.391 74 HB THR 14 HB THR 14 2.374 -10.469 -13.766 75 HG1 THR 14 1HG THR 14 1.403 -9.418 -11.780 76 HG21 THR 14 1HG2 THR 14 3.000 -10.610 -11.211 77 HG22 THR 14 2HG2 THR 14 4.419 -9.704 -11.736 78 HG23 THR 14 3HG2 THR 14 4.068 -11.281 -12.442 79 H ALA 15 H ALA 15 2.777 -10.117 -15.966 80 HA ALA 15 HA ALA 15 1.548 -7.760 -17.242 81 HB1 ALA 15 1HB ALA 15 2.622 -8.275 -19.110 82 HB2 ALA 15 2HB ALA 15 3.412 -9.618 -18.281 83 HB3 ALA 15 3HB ALA 15 1.879 -9.875 -19.116 84 H LYS 16 H LYS 16 -0.592 -7.768 -17.335 85 HA LYS 16 HA LYS 16 -2.015 -10.320 -17.563 86 HB2 LYS 16 1HB LYS 16 -2.377 -8.244 -15.428 87 HB3 LYS 16 2HB LYS 16 -3.742 -9.228 -15.940 88 HG2 LYS 16 1HG LYS 16 -1.217 -10.614 -15.224 89 HG3 LYS 16 2HG LYS 16 -2.195 -9.930 -13.924 90 HD2 LYS 16 1HD LYS 16 -3.558 -11.565 -16.003 91 HD3 LYS 16 2HD LYS 16 -2.576 -12.398 -14.796 92 HE2 LYS 16 1HE LYS 16 -3.878 -11.041 -13.065 93 HE3 LYS 16 2HE LYS 16 -4.994 -10.665 -14.377 94 HZ1 LYS 16 1HZ LYS 16 -4.834 -13.300 -14.623 95 HZ2 LYS 16 2HZ LYS 16 -5.986 -12.534 -13.650 96 HZ3 LYS 16 3HZ LYS 16 -4.578 -13.164 -12.956 97 H ILE 17 H ILE 17 -3.347 -10.245 -19.238 98 HA ILE 17 HA ILE 17 -4.050 -7.695 -20.426 99 HB ILE 17 HB ILE 17 -5.017 -9.010 -22.245 100 HG12 ILE 17 1HG1 ILE 17 -4.143 -11.467 -20.717 101 HG13 ILE 17 2HG1 ILE 17 -5.803 -10.883 -20.745 102 HG21 ILE 17 1HG2 ILE 17 -2.987 -9.924 -23.109 103 HG22 ILE 17 2HG2 ILE 17 -2.571 -8.514 -22.136 104 HG23 ILE 17 3HG2 ILE 17 -2.328 -10.135 -21.487 105 HD11 ILE 17 1HD1 ILE 17 -4.412 -11.392 -23.323 106 HD12 ILE 17 2HD1 ILE 17 -5.014 -12.755 -22.379 107 HD13 ILE 17 3HD1 ILE 17 -6.126 -11.499 -22.923 108 H THR 18 H THR 18 -5.213 -7.985 -17.930 109 HA THR 18 HA THR 18 -7.982 -7.635 -18.590 110 HB THR 18 HB THR 18 -7.331 -9.879 -16.674 111 HG1 THR 18 1HG THR 18 -6.872 -10.549 -18.792 112 HG21 THR 18 1HG2 THR 18 -9.996 -9.478 -17.931 113 HG22 THR 18 2HG2 THR 18 -9.526 -8.388 -16.628 114 HG23 THR 18 3HG2 THR 18 -9.581 -10.128 -16.346 115 H ASP 19 H ASP 19 -9.024 -6.371 -17.114 116 HA ASP 19 HA ASP 19 -7.871 -5.981 -14.470 117 HB2 ASP 19 1HB ASP 19 -8.038 -3.828 -16.570 118 HB3 ASP 19 2HB ASP 19 -8.021 -3.443 -14.851 119 H ASP 20 H ASP 20 -9.484 -6.042 -13.067 120 HA ASP 20 HA ASP 20 -12.214 -5.735 -13.930 121 HB2 ASP 20 1HB ASP 20 -11.229 -6.077 -11.096 122 HB3 ASP 20 2HB ASP 20 -12.824 -6.465 -11.736 123 H SER 21 H SER 21 -13.727 -4.235 -13.088 124 HA SER 21 HA SER 21 -12.556 -1.622 -12.588 125 HB2 SER 21 1HB SER 21 -15.407 -2.493 -13.103 126 HB3 SER 21 2HB SER 21 -14.914 -0.818 -12.851 127 HG SER 21 HG SER 21 -13.685 -0.924 -14.713 128 H ARG 22 H ARG 22 -12.178 -3.375 -10.466 129 HA ARG 22 HA ARG 22 -14.180 -2.699 -8.455 130 HB2 ARG 22 1HB ARG 22 -11.697 -4.408 -8.213 131 HB3 ARG 22 2HB ARG 22 -12.964 -4.246 -7.005 132 HG2 ARG 22 1HG ARG 22 -13.539 -5.260 -9.767 133 HG3 ARG 22 2HG ARG 22 -12.987 -6.325 -8.473 134 HD2 ARG 22 1HD ARG 22 -15.268 -4.510 -7.906 135 HD3 ARG 22 2HD ARG 22 -15.562 -5.901 -8.949 136 HE ARG 22 HE ARG 22 -14.186 -6.679 -6.597 137 HH11 ARG 22 1HH1 ARG 22 -17.324 -5.729 -7.767 138 HH12 ARG 22 2HH1 ARG 22 -18.188 -6.602 -6.545 139 HH21 ARG 22 1HH2 ARG 22 -15.311 -7.832 -4.983 140 HH22 ARG 22 2HH2 ARG 22 -17.042 -7.797 -4.961 141 H ARG 23 H ARG 23 -13.326 -2.039 -6.261 142 HA ARG 23 HA ARG 23 -11.433 0.165 -6.644 143 HB2 ARG 23 1HB ARG 23 -13.467 -0.397 -4.482 144 HB3 ARG 23 2HB ARG 23 -12.326 0.939 -4.420 145 HG2 ARG 23 1HG ARG 23 -14.123 0.617 -6.784 146 HG3 ARG 23 2HG ARG 23 -14.731 1.338 -5.291 147 HD2 ARG 23 1HD ARG 23 -14.003 3.211 -6.391 148 HD3 ARG 23 2HD ARG 23 -12.551 2.789 -5.483 149 HE ARG 23 HE ARG 23 -12.444 1.514 -7.973 150 HH11 ARG 23 1HH1 ARG 23 -12.328 4.720 -6.621 151 HH12 ARG 23 2HH1 ARG 23 -11.340 5.361 -7.893 152 HH21 ARG 23 1HH2 ARG 23 -11.144 2.345 -9.652 153 HH22 ARG 23 2HH2 ARG 23 -10.668 4.009 -9.616 154 H CYS 24 H CYS 24 -12.126 -2.489 -4.380 155 HA CYS 24 HA CYS 24 -10.189 -2.280 -2.530 156 HB2 CYS 24 1HB CYS 24 -10.991 -4.787 -4.015 157 HB3 CYS 24 2HB CYS 24 -10.030 -4.786 -2.542 158 HG CYS 24 HG CYS 24 -13.321 -4.473 -2.930 159 H SER 25 H SER 25 -8.138 -1.682 -2.731 160 HA SER 25 HA SER 25 -6.615 -2.299 -5.106 161 HB2 SER 25 1HB SER 25 -5.840 -0.842 -2.568 162 HB3 SER 25 2HB SER 25 -4.826 -0.975 -4.004 163 HG SER 25 HG SER 25 -7.429 0.148 -4.009 164 H GLN 26 H GLN 26 -5.248 -3.941 -5.363 165 HA GLN 26 HA GLN 26 -4.852 -5.797 -3.169 166 HB2 GLN 26 1HB GLN 26 -5.433 -6.477 -5.551 167 HB3 GLN 26 2HB GLN 26 -3.780 -6.051 -5.977 168 HG2 GLN 26 1HG GLN 26 -3.015 -7.680 -4.232 169 HG3 GLN 26 2HG GLN 26 -4.693 -8.201 -4.087 170 HE21 GLN 26 1HE2 GLN 26 -5.699 -9.174 -5.907 171 HE22 GLN 26 2HE2 GLN 26 -4.754 -9.960 -7.120 172 H VAL 27 H VAL 27 -2.956 -6.226 -2.153 173 HA VAL 27 HA VAL 27 -0.531 -4.855 -3.075 174 HB VAL 27 HB VAL 27 -1.291 -4.875 -0.161 175 HG11 VAL 27 1HG1 VAL 27 0.344 -2.838 -0.346 176 HG12 VAL 27 2HG1 VAL 27 0.973 -4.485 -0.266 177 HG13 VAL 27 3HG1 VAL 27 0.867 -3.654 -1.818 178 HG21 VAL 27 1HG2 VAL 27 -1.907 -2.816 -2.263 179 HG22 VAL 27 2HG2 VAL 27 -3.011 -3.577 -1.117 180 HG23 VAL 27 3HG2 VAL 27 -1.811 -2.417 -0.547 181 H LYS 28 H LYS 28 1.430 -5.643 -1.861 182 HA LYS 28 HA LYS 28 1.197 -8.547 -1.476 183 HB2 LYS 28 1HB LYS 28 3.469 -6.777 -2.349 184 HB3 LYS 28 2HB LYS 28 3.751 -8.421 -1.789 185 HG2 LYS 28 1HG LYS 28 3.629 -8.281 -4.228 186 HG3 LYS 28 2HG LYS 28 2.352 -9.298 -3.558 187 HD2 LYS 28 1HD LYS 28 1.461 -7.866 -5.306 188 HD3 LYS 28 2HD LYS 28 0.779 -7.417 -3.741 189 HE2 LYS 28 1HE LYS 28 2.205 -5.515 -3.581 190 HE3 LYS 28 2HE LYS 28 3.156 -6.036 -4.972 191 HZ1 LYS 28 1HZ LYS 28 0.278 -5.350 -5.146 192 HZ2 LYS 28 2HZ LYS 28 1.365 -5.576 -6.422 193 HZ3 LYS 28 3HZ LYS 28 1.513 -4.225 -5.414 194 H LEU 29 H LEU 29 1.266 -9.272 0.538 195 HA LEU 29 HA LEU 29 1.952 -7.621 2.746 196 HB2 LEU 29 1HB LEU 29 0.387 -9.729 2.537 197 HB3 LEU 29 2HB LEU 29 1.859 -10.589 2.985 198 HG LEU 29 HG LEU 29 1.974 -9.187 5.042 199 HD11 LEU 29 1HD1 LEU 29 -0.824 -8.442 4.995 200 HD12 LEU 29 2HD1 LEU 29 0.100 -7.627 3.734 201 HD13 LEU 29 3HD1 LEU 29 0.594 -7.484 5.421 202 HD21 LEU 29 1HD2 LEU 29 1.126 -11.349 5.350 203 HD22 LEU 29 2HD2 LEU 29 -0.381 -10.974 4.513 204 HD23 LEU 29 3HD2 LEU 29 -0.066 -10.294 6.111 205 H GLY 30 H GLY 30 3.964 -7.042 3.228 206 HA2 GLY 30 1HA GLY 30 6.054 -7.753 4.235 207 HA3 GLY 30 2HA GLY 30 6.057 -9.120 3.130 208 H SER 31 H SER 31 5.022 -6.380 1.524 209 HA SER 31 HA SER 31 7.729 -5.562 0.753 210 HB2 SER 31 1HB SER 31 7.460 -5.988 -1.512 211 HB3 SER 31 2HB SER 31 6.611 -7.363 -0.806 212 HG SER 31 HG SER 31 4.685 -5.917 -0.986 213 H ALA 32 H ALA 32 7.934 -3.426 0.444 214 HA ALA 32 HA ALA 32 5.901 -1.651 1.202 215 HB1 ALA 32 1HB ALA 32 8.237 -1.061 1.407 216 HB2 ALA 32 2HB ALA 32 8.432 -1.111 -0.346 217 HB3 ALA 32 3HB ALA 32 7.410 0.122 0.395 218 H ALA 33 H ALA 33 4.126 -1.107 0.133 219 HA ALA 33 HA ALA 33 4.202 -1.092 -2.814 220 HB1 ALA 33 1HB ALA 33 1.535 -1.171 -1.697 221 HB2 ALA 33 2HB ALA 33 2.303 -2.249 -2.864 222 HB3 ALA 33 3HB ALA 33 2.518 -2.524 -1.136 223 H ASP 34 H ASP 34 2.950 0.532 -3.900 224 HA ASP 34 HA ASP 34 2.879 3.041 -2.394 225 HB2 ASP 34 1HB ASP 34 3.057 2.362 -5.313 226 HB3 ASP 34 2HB ASP 34 2.527 3.964 -4.807 227 H PHE 35 H PHE 35 1.087 4.473 -2.543 228 HA PHE 35 HA PHE 35 -1.433 3.247 -3.426 229 HB2 PHE 35 1HB PHE 35 -1.063 4.722 -0.811 230 HB3 PHE 35 2HB PHE 35 -2.565 4.027 -1.411 231 HD1 PHE 35 1HD PHE 35 0.720 3.307 0.035 232 HD2 PHE 35 2HD PHE 35 -2.967 1.659 -1.310 233 HE1 PHE 35 1HE PHE 35 1.264 1.183 1.154 234 HE2 PHE 35 2HE PHE 35 -2.429 -0.466 -0.193 235 HZ PHE 35 HZ PHE 35 -0.312 -0.706 1.042 236 H LEU 36 H LEU 36 -2.271 4.513 -4.935 237 HA LEU 36 HA LEU 36 -1.599 7.332 -5.048 238 HB2 LEU 36 1HB LEU 36 -1.775 5.659 -7.018 239 HB3 LEU 36 2HB LEU 36 -3.509 5.953 -6.895 240 HG LEU 36 HG LEU 36 -2.836 8.455 -7.117 241 HD11 LEU 36 1HD1 LEU 36 -0.825 8.703 -8.585 242 HD12 LEU 36 2HD1 LEU 36 -0.397 7.042 -8.175 243 HD13 LEU 36 3HD1 LEU 36 -0.471 8.270 -6.913 244 HD21 LEU 36 1HD2 LEU 36 -2.803 6.442 -9.355 245 HD22 LEU 36 2HD2 LEU 36 -2.821 8.186 -9.623 246 HD23 LEU 36 3HD2 LEU 36 -4.162 7.408 -8.780 247 H LEU 37 H LEU 37 -2.762 8.821 -4.044 248 HA LEU 37 HA LEU 37 -5.670 8.454 -3.843 249 HB2 LEU 37 1HB LEU 37 -5.756 8.945 -1.599 250 HB3 LEU 37 2HB LEU 37 -4.296 7.964 -1.702 251 HG LEU 37 HG LEU 37 -4.248 10.974 -1.674 252 HD11 LEU 37 1HD1 LEU 37 -3.456 10.530 0.748 253 HD12 LEU 37 2HD1 LEU 37 -4.337 9.011 0.579 254 HD13 LEU 37 3HD1 LEU 37 -5.185 10.547 0.397 255 HD21 LEU 37 1HD2 LEU 37 -1.911 10.516 -0.872 256 HD22 LEU 37 2HD2 LEU 37 -2.236 10.061 -2.545 257 HD23 LEU 37 3HD2 LEU 37 -2.177 8.823 -1.290 258 H ASP 38 H ASP 38 -6.861 10.222 -4.294 259 HA ASP 38 HA ASP 38 -5.486 12.545 -5.320 260 HB2 ASP 38 1HB ASP 38 -8.453 11.996 -5.089 261 HB3 ASP 38 2HB ASP 38 -7.709 13.295 -6.018 262 H ILE 39 H ILE 39 -4.673 13.857 -3.789 263 HA ILE 39 HA ILE 39 -6.564 14.937 -1.811 264 HB ILE 39 HB ILE 39 -4.520 15.187 -0.282 265 HG12 ILE 39 1HG1 ILE 39 -3.484 12.845 -1.870 266 HG13 ILE 39 2HG1 ILE 39 -2.959 14.491 -2.201 267 HG21 ILE 39 1HG2 ILE 39 -6.049 13.740 0.585 268 HG22 ILE 39 2HG2 ILE 39 -6.076 12.728 -0.860 269 HG23 ILE 39 3HG2 ILE 39 -4.734 12.605 0.279 270 HD11 ILE 39 1HD1 ILE 39 -2.618 14.283 0.509 271 HD12 ILE 39 2HD1 ILE 39 -2.184 12.675 -0.072 272 HD13 ILE 39 3HD1 ILE 39 -1.359 14.096 -0.712 273 H SER 40 H SER 40 -6.467 17.110 -1.456 274 HA SER 40 HA SER 40 -5.057 18.679 -3.417 275 HB2 SER 40 1HB SER 40 -6.882 19.466 -1.136 276 HB3 SER 40 2HB SER 40 -6.203 20.606 -2.296 277 HG SER 40 HG SER 40 -8.009 20.117 -3.304 278 H GLU 41 H GLU 41 -3.173 17.400 -1.943 279 HA GLU 41 HA GLU 41 -1.934 19.624 -0.480 280 HB2 GLU 41 1HB GLU 41 -1.893 16.734 0.412 281 HB3 GLU 41 2HB GLU 41 -1.044 18.063 1.190 282 HG2 GLU 41 1HG GLU 41 -2.934 18.907 2.135 283 HG3 GLU 41 2HG GLU 41 -3.980 18.306 0.849 284 H THR 42 H THR 42 -0.168 20.171 -1.557 285 HA THR 42 HA THR 42 1.241 18.178 -3.160 286 HB THR 42 HB THR 42 0.778 20.238 -4.312 287 HG1 THR 42 1HG THR 42 3.532 20.301 -3.593 288 HG21 THR 42 1HG2 THR 42 2.238 21.594 -2.043 289 HG22 THR 42 2HG2 THR 42 0.524 21.739 -2.428 290 HG23 THR 42 3HG2 THR 42 1.735 22.386 -3.534 291 H ASP 43 H ASP 43 1.610 20.061 -0.265 292 HA ASP 43 HA ASP 43 4.447 19.691 -0.036 293 HB2 ASP 43 1HB ASP 43 2.884 21.513 1.040 294 HB3 ASP 43 2HB ASP 43 2.707 20.314 2.318 295 H LEU 44 H LEU 44 5.565 18.211 1.166 296 HA LEU 44 HA LEU 44 4.023 15.883 2.071 297 HB2 LEU 44 1HB LEU 44 6.754 16.279 0.975 298 HB3 LEU 44 2HB LEU 44 6.515 14.965 2.124 299 HG LEU 44 HG LEU 44 4.526 14.374 0.474 300 HD11 LEU 44 1HD1 LEU 44 4.504 15.760 -1.283 301 HD12 LEU 44 2HD1 LEU 44 5.882 14.817 -1.850 302 HD13 LEU 44 3HD1 LEU 44 6.145 16.328 -0.980 303 HD21 LEU 44 1HD2 LEU 44 7.443 13.746 0.039 304 HD22 LEU 44 2HD2 LEU 44 6.110 12.881 -0.726 305 HD23 LEU 44 3HD2 LEU 44 6.293 12.847 1.029 306 H SER 45 H SER 45 6.972 17.654 3.026 307 HA SER 45 HA SER 45 7.251 16.624 5.572 308 HB2 SER 45 1HB SER 45 7.918 19.373 4.507 309 HB3 SER 45 2HB SER 45 8.405 18.814 6.107 310 HG SER 45 HG SER 45 9.331 18.064 3.595 311 H SER 46 H SER 46 5.310 19.391 4.515 312 HA SER 46 HA SER 46 4.462 20.267 7.030 313 HB2 SER 46 1HB SER 46 3.177 20.438 4.304 314 HB3 SER 46 2HB SER 46 2.465 21.188 5.733 315 HG SER 46 HG SER 46 5.157 21.695 5.202 316 H LEU 47 H LEU 47 3.493 17.542 5.129 317 HA LEU 47 HA LEU 47 1.105 17.084 6.738 318 HB2 LEU 47 1HB LEU 47 2.251 15.451 4.479 319 HB3 LEU 47 2HB LEU 47 0.673 15.229 5.231 320 HG LEU 47 HG LEU 47 1.558 17.552 3.525 321 HD11 LEU 47 1HD1 LEU 47 0.940 16.116 1.920 322 HD12 LEU 47 2HD1 LEU 47 -0.701 16.523 2.424 323 HD13 LEU 47 3HD1 LEU 47 0.078 15.068 3.047 324 HD21 LEU 47 1HD2 LEU 47 0.149 18.623 4.981 325 HD22 LEU 47 2HD2 LEU 47 -0.795 17.170 5.312 326 HD23 LEU 47 3HD2 LEU 47 -1.009 18.033 3.788 327 H THR 48 H THR 48 0.768 14.743 7.458 328 HA THR 48 HA THR 48 3.262 13.743 8.676 329 HB THR 48 HB THR 48 0.575 13.268 9.924 330 HG1 THR 48 1HG THR 48 0.473 15.392 10.126 331 HG21 THR 48 1HG2 THR 48 2.764 13.777 11.713 332 HG22 THR 48 2HG2 THR 48 3.229 12.558 10.526 333 HG23 THR 48 3HG2 THR 48 1.796 12.315 11.525 334 H ALA 49 H ALA 49 3.477 11.482 8.939 335 HA ALA 49 HA ALA 49 1.617 9.865 7.323 336 HB1 ALA 49 1HB ALA 49 4.624 9.809 7.332 337 HB2 ALA 49 2HB ALA 49 3.645 8.483 6.702 338 HB3 ALA 49 3HB ALA 49 3.538 10.084 5.970 339 H SER 50 H SER 50 0.632 8.415 8.553 340 HA SER 50 HA SER 50 2.161 6.840 10.456 341 HB2 SER 50 1HB SER 50 -0.091 8.674 11.248 342 HB3 SER 50 2HB SER 50 0.288 7.233 12.191 343 HG SER 50 HG SER 50 1.854 8.316 13.048 344 H ILE 51 H ILE 51 1.502 4.779 10.476 345 HA ILE 51 HA ILE 51 -1.226 4.130 9.639 346 HB ILE 51 HB ILE 51 1.264 2.984 8.379 347 HG12 ILE 51 1HG1 ILE 51 -1.128 4.456 7.254 348 HG13 ILE 51 2HG1 ILE 51 0.519 5.067 7.371 349 HG21 ILE 51 1HG2 ILE 51 -0.217 1.462 7.163 350 HG22 ILE 51 2HG2 ILE 51 -0.289 1.182 8.902 351 HG23 ILE 51 3HG2 ILE 51 -1.592 2.055 8.095 352 HD11 ILE 51 1HD1 ILE 51 0.765 4.372 5.280 353 HD12 ILE 51 2HD1 ILE 51 0.800 2.735 5.936 354 HD13 ILE 51 3HD1 ILE 51 -0.715 3.414 5.340 355 H LYS 52 H LYS 52 -1.959 2.067 10.315 356 HA LYS 52 HA LYS 52 -0.266 0.364 11.899 357 HB2 LYS 52 1HB LYS 52 -0.722 2.016 13.588 358 HB3 LYS 52 2HB LYS 52 -2.438 2.003 13.209 359 HG2 LYS 52 1HG LYS 52 -2.816 0.050 14.325 360 HG3 LYS 52 2HG LYS 52 -1.171 -0.541 14.072 361 HD2 LYS 52 1HD LYS 52 -1.148 -0.042 16.325 362 HD3 LYS 52 2HD LYS 52 -0.518 1.451 15.625 363 HE2 LYS 52 1HE LYS 52 -2.769 2.428 15.728 364 HE3 LYS 52 2HE LYS 52 -3.375 0.941 16.454 365 HZ1 LYS 52 1HZ LYS 52 -2.976 2.467 18.198 366 HZ2 LYS 52 2HZ LYS 52 -1.435 2.856 17.620 367 HZ3 LYS 52 3HZ LYS 52 -1.731 1.325 18.276 368 H ALA 53 H ALA 53 -0.886 -1.633 11.438 369 HA ALA 53 HA ALA 53 -3.039 -2.381 9.920 370 HB1 ALA 53 1HB ALA 53 -2.513 -4.490 11.771 371 HB2 ALA 53 2HB ALA 53 -2.038 -4.353 10.077 372 HB3 ALA 53 3HB ALA 53 -0.995 -3.702 11.341 373 HA PRO 54 HA PRO 54 -6.696 -2.476 12.344 374 HB2 PRO 54 1HB PRO 54 -7.781 -4.908 11.816 375 HB3 PRO 54 2HB PRO 54 -7.738 -3.598 10.631 376 HG2 PRO 54 1HG PRO 54 -5.926 -5.965 10.903 377 HG3 PRO 54 2HG PRO 54 -6.632 -5.259 9.438 378 HD2 PRO 54 1HD PRO 54 -4.077 -4.785 10.198 379 HD3 PRO 54 2HD PRO 54 -5.055 -3.581 9.335 380 H SER 55 H SER 55 -4.289 -4.860 12.932 381 HA SER 55 HA SER 55 -5.599 -5.913 15.302 382 HB2 SER 55 1HB SER 55 -4.234 -7.364 13.768 383 HB3 SER 55 2HB SER 55 -2.802 -6.483 14.299 384 HG SER 55 HG SER 55 -2.845 -8.109 15.698 385 H GLY 56 H GLY 56 -3.977 -3.156 14.618 386 HA2 GLY 56 1HA GLY 56 -3.399 -1.511 16.193 387 HA3 GLY 56 2HA GLY 56 -3.293 -2.761 17.425 388 H ARG 57 H ARG 57 -1.698 -3.352 14.434 389 HA ARG 57 HA ARG 57 0.885 -2.978 15.782 390 HB2 ARG 57 1HB ARG 57 0.257 -4.589 13.301 391 HB3 ARG 57 2HB ARG 57 1.793 -4.547 14.156 392 HG2 ARG 57 1HG ARG 57 -0.637 -5.362 15.661 393 HG3 ARG 57 2HG ARG 57 0.069 -6.500 14.510 394 HD2 ARG 57 1HD ARG 57 2.248 -6.238 15.647 395 HD3 ARG 57 2HD ARG 57 1.476 -5.186 16.831 396 HE ARG 57 HE ARG 57 1.317 -8.057 16.690 397 HH11 ARG 57 1HH1 ARG 57 -0.192 -5.145 17.860 398 HH12 ARG 57 2HH1 ARG 57 -1.045 -5.946 19.137 399 HH21 ARG 57 1HH2 ARG 57 0.200 -9.122 18.369 400 HH22 ARG 57 2HH2 ARG 57 -0.821 -8.207 19.428 401 H ASP 58 H ASP 58 1.824 -1.102 15.331 402 HA ASP 58 HA ASP 58 1.206 0.627 13.257 403 HB2 ASP 58 1HB ASP 58 2.422 1.670 14.910 404 HB3 ASP 58 2HB ASP 58 3.540 0.321 15.088 405 H GLU 59 H GLU 59 2.562 1.299 11.422 406 HA GLU 59 HA GLU 59 4.216 -0.827 10.282 407 HB2 GLU 59 1HB GLU 59 1.969 0.484 8.745 408 HB3 GLU 59 2HB GLU 59 3.061 -0.759 8.152 409 HG2 GLU 59 1HG GLU 59 1.161 -1.160 10.447 410 HG3 GLU 59 2HG GLU 59 0.784 -1.562 8.773 411 HA PRO 60 HA PRO 60 6.778 2.559 9.127 412 HB2 PRO 60 1HB PRO 60 8.204 1.369 7.147 413 HB3 PRO 60 2HB PRO 60 8.450 1.006 8.859 414 HG2 PRO 60 1HG PRO 60 6.889 -0.515 6.807 415 HG3 PRO 60 2HG PRO 60 7.990 -1.126 8.056 416 HD2 PRO 60 1HD PRO 60 5.297 -1.180 8.335 417 HD3 PRO 60 2HD PRO 60 6.396 -0.974 9.714 418 H CYS 61 H CYS 61 5.405 4.083 8.230 419 HA CYS 61 HA CYS 61 4.794 3.794 5.367 420 HB2 CYS 61 1HB CYS 61 3.072 5.549 5.765 421 HB3 CYS 61 2HB CYS 61 2.800 4.084 6.701 422 HG CYS 61 HG CYS 61 2.176 6.504 8.134 423 H LEU 62 H LEU 62 5.487 5.282 3.913 424 HA LEU 62 HA LEU 62 6.883 7.662 4.912 425 HB2 LEU 62 1HB LEU 62 8.342 5.572 4.230 426 HB3 LEU 62 2HB LEU 62 8.047 6.185 2.604 427 HG LEU 62 HG LEU 62 10.216 6.890 3.671 428 HD11 LEU 62 1HD1 LEU 62 10.020 8.379 2.035 429 HD12 LEU 62 2HD1 LEU 62 9.318 9.484 3.216 430 HD13 LEU 62 3HD1 LEU 62 8.270 8.461 2.233 431 HD21 LEU 62 1HD2 LEU 62 8.850 9.021 5.162 432 HD22 LEU 62 2HD2 LEU 62 10.309 8.112 5.555 433 HD23 LEU 62 3HD2 LEU 62 8.720 7.409 5.867 434 H LEU 63 H LEU 63 6.060 9.408 3.985 435 HA LEU 63 HA LEU 63 4.418 9.201 1.627 436 HB2 LEU 63 1HB LEU 63 5.079 11.311 3.606 437 HB3 LEU 63 2HB LEU 63 4.514 11.827 2.018 438 HG LEU 63 HG LEU 63 2.962 9.881 3.703 439 HD11 LEU 63 1HD1 LEU 63 3.309 11.903 5.030 440 HD12 LEU 63 2HD1 LEU 63 1.632 11.756 4.504 441 HD13 LEU 63 3HD1 LEU 63 2.715 12.886 3.691 442 HD21 LEU 63 1HD2 LEU 63 2.598 10.322 1.169 443 HD22 LEU 63 2HD2 LEU 63 1.869 11.832 1.719 444 HD23 LEU 63 3HD2 LEU 63 1.208 10.286 2.255 445 H LYS 64 H LYS 64 4.971 9.651 -0.412 446 HA LYS 64 HA LYS 64 7.426 11.171 -0.927 447 HB2 LYS 64 1HB LYS 64 8.139 9.563 -2.626 448 HB3 LYS 64 2HB LYS 64 8.036 8.799 -1.046 449 HG2 LYS 64 1HG LYS 64 5.972 7.733 -1.625 450 HG3 LYS 64 2HG LYS 64 5.888 8.625 -3.146 451 HD2 LYS 64 1HD LYS 64 6.668 6.446 -3.674 452 HD3 LYS 64 2HD LYS 64 8.063 7.522 -3.782 453 HE2 LYS 64 1HE LYS 64 8.353 6.815 -1.252 454 HE3 LYS 64 2HE LYS 64 7.435 5.407 -1.785 455 HZ1 LYS 64 1HZ LYS 64 9.129 4.666 -3.054 456 HZ2 LYS 64 2HZ LYS 64 10.063 5.545 -1.953 457 HZ3 LYS 64 3HZ LYS 64 9.677 6.214 -3.458 458 H ARG 65 H ARG 65 7.597 11.793 -3.271 459 HA ARG 65 HA ARG 65 4.976 12.699 -4.175 460 HB2 ARG 65 1HB ARG 65 6.557 14.455 -4.080 461 HB3 ARG 65 2HB ARG 65 7.798 13.488 -4.866 462 HG2 ARG 65 1HG ARG 65 7.079 15.029 -6.479 463 HG3 ARG 65 2HG ARG 65 6.311 13.500 -6.916 464 HD2 ARG 65 1HD ARG 65 4.238 14.217 -5.877 465 HD3 ARG 65 2HD ARG 65 4.999 15.716 -5.346 466 HE ARG 65 HE ARG 65 5.043 15.254 -8.200 467 HH11 ARG 65 1HH1 ARG 65 3.371 16.690 -5.506 468 HH12 ARG 65 2HH1 ARG 65 2.513 17.836 -6.482 469 HH21 ARG 65 1HH2 ARG 65 3.919 16.758 -9.496 470 HH22 ARG 65 2HH2 ARG 65 2.825 17.873 -8.751 471 H LEU 66 H LEU 66 3.985 11.997 -5.976 472 HA LEU 66 HA LEU 66 5.353 9.923 -7.542 473 HB2 LEU 66 1HB LEU 66 2.434 10.518 -7.114 474 HB3 LEU 66 2HB LEU 66 3.022 9.348 -8.292 475 HG LEU 66 HG LEU 66 3.519 9.166 -5.323 476 HD11 LEU 66 1HD1 LEU 66 1.503 7.682 -7.003 477 HD12 LEU 66 2HD1 LEU 66 1.128 8.973 -5.861 478 HD13 LEU 66 3HD1 LEU 66 1.810 7.455 -5.281 479 HD21 LEU 66 1HD2 LEU 66 3.653 6.766 -6.984 480 HD22 LEU 66 2HD2 LEU 66 4.756 7.347 -5.736 481 HD23 LEU 66 3HD2 LEU 66 4.875 7.975 -7.381 482 HA PRO 67 HA PRO 67 5.439 12.389 -11.173 483 HB2 PRO 67 1HB PRO 67 5.067 10.511 -13.096 484 HB3 PRO 67 2HB PRO 67 6.569 10.660 -12.178 485 HG2 PRO 67 1HG PRO 67 4.287 8.764 -11.780 486 HG3 PRO 67 2HG PRO 67 6.030 8.446 -11.716 487 HD2 PRO 67 1HD PRO 67 4.524 8.767 -9.488 488 HD3 PRO 67 2HD PRO 67 6.227 9.262 -9.569 489 H ASN 68 H ASN 68 4.193 12.842 -13.233 490 HA ASN 68 HA ASN 68 2.280 13.514 -14.261 491 HB2 ASN 68 1HB ASN 68 1.529 10.884 -13.082 492 HB3 ASN 68 2HB ASN 68 0.229 11.905 -13.685 493 HD21 ASN 68 1HD2 ASN 68 -0.166 10.278 -15.258 494 HD22 ASN 68 2HD2 ASN 68 0.815 10.172 -16.677 495 H ASN 69 H ASN 69 2.925 14.788 -11.868 496 HA ASN 69 HA ASN 69 2.081 16.087 -10.193 497 HB2 ASN 69 1HB ASN 69 1.014 17.032 -12.296 498 HB3 ASN 69 2HB ASN 69 -0.438 16.137 -11.856 499 HD21 ASN 69 1HD2 ASN 69 1.764 18.673 -10.863 500 HD22 ASN 69 2HD2 ASN 69 0.659 19.481 -9.811 501 H HIS 70 H HIS 70 1.965 13.523 -9.423 502 HA HIS 70 HA HIS 70 -0.580 13.398 -7.960 503 HB2 HIS 70 1HB HIS 70 0.837 10.998 -9.137 504 HB3 HIS 70 2HB HIS 70 -0.673 10.983 -8.230 505 HD1 HIS 70 1HD HIS 70 -2.188 13.233 -9.646 506 HD2 HIS 70 2HD HIS 70 -0.002 10.309 -11.628 507 HE1 HIS 70 1HE HIS 70 -3.155 13.126 -11.965 508 HE2 HIS 70 2HE HIS 70 -1.873 11.292 -13.119 509 H ILE 71 H ILE 71 -0.446 12.019 -6.001 510 HA ILE 71 HA ILE 71 2.250 11.664 -4.935 511 HB ILE 71 HB ILE 71 0.147 13.266 -3.474 512 HG12 ILE 71 1HG1 ILE 71 2.823 14.259 -4.444 513 HG13 ILE 71 2HG1 ILE 71 1.376 14.369 -5.441 514 HG21 ILE 71 1HG2 ILE 71 2.378 11.783 -2.539 515 HG22 ILE 71 2HG2 ILE 71 2.738 13.497 -2.341 516 HG23 ILE 71 3HG2 ILE 71 1.280 12.814 -1.622 517 HD11 ILE 71 1HD1 ILE 71 0.296 15.702 -3.686 518 HD12 ILE 71 2HD1 ILE 71 1.785 15.630 -2.741 519 HD13 ILE 71 3HD1 ILE 71 1.769 16.454 -4.300 520 H GLY 72 H GLY 72 2.427 10.053 -3.418 521 HA2 GLY 72 1HA GLY 72 0.011 8.861 -2.303 522 HA3 GLY 72 2HA GLY 72 0.942 7.847 -3.396 523 H ILE 73 H ILE 73 0.562 6.950 -0.887 524 HA ILE 73 HA ILE 73 3.043 7.563 0.567 525 HB ILE 73 HB ILE 73 0.954 7.792 1.856 526 HG12 ILE 73 1HG1 ILE 73 2.288 5.375 2.997 527 HG13 ILE 73 2HG1 ILE 73 3.258 6.820 2.730 528 HG21 ILE 73 1HG2 ILE 73 0.441 5.177 0.692 529 HG22 ILE 73 2HG2 ILE 73 0.166 5.218 2.432 530 HG23 ILE 73 3HG2 ILE 73 -0.682 6.351 1.380 531 HD11 ILE 73 1HD1 ILE 73 1.342 6.230 4.809 532 HD12 ILE 73 2HD1 ILE 73 2.578 7.485 4.730 533 HD13 ILE 73 3HD1 ILE 73 0.994 7.760 4.005 534 H SER 74 H SER 74 4.300 5.828 1.437 535 HA SER 74 HA SER 74 3.905 3.234 0.107 536 HB2 SER 74 1HB SER 74 5.646 4.461 -1.112 537 HB3 SER 74 2HB SER 74 6.537 4.706 0.390 538 HG SER 74 HG SER 74 6.721 2.412 0.533 539 H PHE 75 H PHE 75 3.819 1.622 1.512 540 HA PHE 75 HA PHE 75 5.550 1.578 3.835 541 HB2 PHE 75 1HB PHE 75 3.909 1.553 5.496 542 HB3 PHE 75 2HB PHE 75 3.339 2.811 4.404 543 HD1 PHE 75 1HD PHE 75 1.415 2.423 2.954 544 HD2 PHE 75 2HD PHE 75 2.719 -0.507 5.753 545 HE1 PHE 75 1HE PHE 75 -0.737 1.252 2.727 546 HE2 PHE 75 2HE PHE 75 0.569 -1.684 5.529 547 HZ PHE 75 HZ PHE 75 -1.162 -0.804 4.014 548 H ILE 76 H ILE 76 5.501 -0.505 4.951 549 HA ILE 76 HA ILE 76 4.824 -2.664 3.082 550 HB ILE 76 HB ILE 76 6.649 -2.802 5.483 551 HG12 ILE 76 1HG1 ILE 76 7.540 -2.702 2.610 552 HG13 ILE 76 2HG1 ILE 76 7.321 -1.229 3.549 553 HG21 ILE 76 1HG2 ILE 76 7.445 -4.872 4.438 554 HG22 ILE 76 2HG2 ILE 76 5.726 -4.949 4.818 555 HG23 ILE 76 3HG2 ILE 76 6.249 -4.678 3.157 556 HD11 ILE 76 1HD1 ILE 76 9.605 -1.765 3.676 557 HD12 ILE 76 2HD1 ILE 76 8.913 -2.225 5.233 558 HD13 ILE 76 3HD1 ILE 76 9.267 -3.460 4.027 559 HA PRO 77 HA PRO 77 1.501 -3.379 6.073 560 HB2 PRO 77 1HB PRO 77 0.052 -4.951 4.400 561 HB3 PRO 77 2HB PRO 77 0.015 -3.185 4.331 562 HG2 PRO 77 1HG PRO 77 1.551 -5.115 2.634 563 HG3 PRO 77 2HG PRO 77 0.658 -3.663 2.148 564 HD2 PRO 77 1HD PRO 77 3.351 -3.692 2.429 565 HD3 PRO 77 2HD PRO 77 2.372 -2.250 2.766 566 H ARG 78 H ARG 78 1.804 -4.838 7.626 567 HA ARG 78 HA ARG 78 3.124 -7.357 7.043 568 HB2 ARG 78 1HB ARG 78 3.444 -5.735 9.110 569 HB3 ARG 78 2HB ARG 78 2.106 -6.670 9.763 570 HG2 ARG 78 1HG ARG 78 3.882 -7.856 10.568 571 HG3 ARG 78 2HG ARG 78 3.592 -8.708 9.050 572 HD2 ARG 78 1HD ARG 78 5.370 -7.531 7.972 573 HD3 ARG 78 2HD ARG 78 5.563 -6.452 9.353 574 HE ARG 78 HE ARG 78 5.952 -9.084 10.219 575 HH11 ARG 78 1HH1 ARG 78 7.470 -6.704 8.184 576 HH12 ARG 78 2HH1 ARG 78 9.072 -7.313 8.443 577 HH21 ARG 78 1HH2 ARG 78 8.055 -9.896 10.569 578 HH22 ARG 78 2HH2 ARG 78 9.403 -9.130 9.799 579 H GLU 79 H GLU 79 -0.048 -6.157 7.858 580 HA GLU 79 HA GLU 79 -1.067 -8.922 7.784 581 HB2 GLU 79 1HB GLU 79 -1.251 -7.539 9.980 582 HB3 GLU 79 2HB GLU 79 -2.536 -6.682 9.139 583 HG2 GLU 79 1HG GLU 79 -3.945 -8.474 9.164 584 HG3 GLU 79 2HG GLU 79 -2.630 -9.649 9.186 585 H VAL 80 H VAL 80 -3.480 -8.942 7.174 586 HA VAL 80 HA VAL 80 -3.866 -7.123 4.886 587 HB VAL 80 HB VAL 80 -5.097 -8.862 3.759 588 HG11 VAL 80 1HG1 VAL 80 -2.480 -8.813 3.907 589 HG12 VAL 80 2HG1 VAL 80 -2.709 -10.348 4.748 590 HG13 VAL 80 3HG1 VAL 80 -3.309 -10.145 3.102 591 HG21 VAL 80 1HG2 VAL 80 -6.048 -9.839 5.873 592 HG22 VAL 80 2HG2 VAL 80 -5.526 -11.017 4.669 593 HG23 VAL 80 3HG2 VAL 80 -4.519 -10.693 6.079 594 H GLY 81 H GLY 81 -5.848 -6.164 4.580 595 HA2 GLY 81 1HA GLY 81 -8.321 -6.606 5.353 596 HA3 GLY 81 2HA GLY 81 -7.617 -6.207 6.913 597 H GLU 82 H GLU 82 -8.702 -4.323 7.293 598 HA GLU 82 HA GLU 82 -8.484 -2.196 5.282 599 HB2 GLU 82 1HB GLU 82 -10.748 -2.628 6.027 600 HB3 GLU 82 2HB GLU 82 -10.264 -2.460 7.708 601 HG2 GLU 82 1HG GLU 82 -9.682 -0.095 7.251 602 HG3 GLU 82 2HG GLU 82 -10.324 -0.294 5.622 603 H HIS 83 H HIS 83 -6.606 -1.144 5.549 604 HA HIS 83 HA HIS 83 -5.625 -0.564 8.232 605 HB2 HIS 83 1HB HIS 83 -4.446 -0.430 5.482 606 HB3 HIS 83 2HB HIS 83 -3.714 0.502 6.785 607 HD1 HIS 83 1HD HIS 83 -4.941 -3.100 6.505 608 HD2 HIS 83 2HD HIS 83 -1.661 -0.906 7.807 609 HE1 HIS 83 1HE HIS 83 -3.308 -4.794 7.394 610 HE2 HIS 83 2HE HIS 83 -1.369 -3.437 8.254 611 H LEU 84 H LEU 84 -5.280 1.509 9.027 612 HA LEU 84 HA LEU 84 -6.703 3.645 7.579 613 HB2 LEU 84 1HB LEU 84 -6.477 3.006 10.496 614 HB3 LEU 84 2HB LEU 84 -6.843 4.645 9.963 615 HG LEU 84 HG LEU 84 -8.502 2.202 9.338 616 HD11 LEU 84 1HD1 LEU 84 -9.920 2.749 11.058 617 HD12 LEU 84 2HD1 LEU 84 -9.380 4.427 11.118 618 HD13 LEU 84 3HD1 LEU 84 -8.356 3.148 11.769 619 HD21 LEU 84 1HD2 LEU 84 -8.832 3.755 7.602 620 HD22 LEU 84 2HD2 LEU 84 -8.808 5.126 8.711 621 HD23 LEU 84 3HD2 LEU 84 -10.175 4.011 8.716 622 H VAL 85 H VAL 85 -5.392 5.121 6.754 623 HA VAL 85 HA VAL 85 -2.746 5.530 7.936 624 HB VAL 85 HB VAL 85 -3.767 6.739 5.371 625 HG11 VAL 85 1HG1 VAL 85 -0.980 6.082 5.431 626 HG12 VAL 85 2HG1 VAL 85 -1.751 7.658 5.235 627 HG13 VAL 85 3HG1 VAL 85 -1.395 7.044 6.850 628 HG21 VAL 85 1HG2 VAL 85 -2.566 4.030 5.865 629 HG22 VAL 85 2HG2 VAL 85 -4.045 4.433 4.994 630 HG23 VAL 85 3HG2 VAL 85 -2.475 4.824 4.293 631 H SER 86 H SER 86 -2.600 7.058 9.434 632 HA SER 86 HA SER 86 -4.483 9.252 9.529 633 HB2 SER 86 1HB SER 86 -2.080 8.954 11.318 634 HB3 SER 86 2HB SER 86 -3.629 9.719 11.673 635 HG SER 86 HG SER 86 -2.935 7.275 12.242 636 H ILE 87 H ILE 87 -4.170 10.859 8.123 637 HA ILE 87 HA ILE 87 -1.435 11.921 7.826 638 HB ILE 87 HB ILE 87 -3.617 12.249 5.778 639 HG12 ILE 87 1HG1 ILE 87 -3.271 9.878 5.934 640 HG13 ILE 87 2HG1 ILE 87 -2.416 10.446 4.504 641 HG21 ILE 87 1HG2 ILE 87 -1.736 13.838 5.735 642 HG22 ILE 87 2HG2 ILE 87 -0.620 12.484 5.569 643 HG23 ILE 87 3HG2 ILE 87 -1.792 12.821 4.294 644 HD11 ILE 87 1HD1 ILE 87 -0.652 9.352 5.274 645 HD12 ILE 87 2HD1 ILE 87 -0.532 10.591 6.525 646 HD13 ILE 87 3HD1 ILE 87 -1.410 9.096 6.846 647 H LYS 88 H LYS 88 -1.212 13.772 8.881 648 HA LYS 88 HA LYS 88 -3.395 15.738 8.750 649 HB2 LYS 88 1HB LYS 88 -1.686 15.619 11.192 650 HB3 LYS 88 2HB LYS 88 -3.338 16.191 11.012 651 HG2 LYS 88 1HG LYS 88 -4.209 14.010 11.026 652 HG3 LYS 88 2HG LYS 88 -2.619 13.288 10.767 653 HD2 LYS 88 1HD LYS 88 -1.931 14.163 12.995 654 HD3 LYS 88 2HD LYS 88 -3.592 14.705 13.247 655 HE2 LYS 88 1HE LYS 88 -4.210 12.245 12.718 656 HE3 LYS 88 2HE LYS 88 -2.514 11.916 13.071 657 HZ1 LYS 88 1HZ LYS 88 -2.777 12.774 15.261 658 HZ2 LYS 88 2HZ LYS 88 -4.028 11.665 15.001 659 HZ3 LYS 88 3HZ LYS 88 -4.343 13.326 14.935 660 H LYS 89 H LYS 89 -2.530 17.961 9.521 661 HA LYS 89 HA LYS 89 0.192 18.361 8.472 662 HB2 LYS 89 1HB LYS 89 -1.617 19.049 6.860 663 HB3 LYS 89 2HB LYS 89 -2.122 20.254 8.038 664 HG2 LYS 89 1HG LYS 89 0.245 21.152 7.922 665 HG3 LYS 89 2HG LYS 89 0.456 20.118 6.507 666 HD2 LYS 89 1HD LYS 89 -1.876 21.984 6.664 667 HD3 LYS 89 2HD LYS 89 -0.286 22.596 6.201 668 HE2 LYS 89 1HE LYS 89 -1.230 22.068 4.155 669 HE3 LYS 89 2HE LYS 89 -0.295 20.619 4.523 670 HZ1 LYS 89 1HZ LYS 89 -3.038 20.824 4.027 671 HZ2 LYS 89 2HZ LYS 89 -2.849 20.331 5.634 672 HZ3 LYS 89 3HZ LYS 89 -2.142 19.434 4.385 673 H ASN 90 H ASN 90 1.343 18.836 10.245 674 HA ASN 90 HA ASN 90 2.086 19.925 12.098 675 HB2 ASN 90 1HB ASN 90 0.351 21.979 10.786 676 HB3 ASN 90 2HB ASN 90 0.981 22.303 12.398 677 HD21 ASN 90 1HD2 ASN 90 1.919 21.445 9.115 678 HD22 ASN 90 2HD2 ASN 90 3.487 22.166 9.180 679 H GLY 91 H GLY 91 -0.280 18.162 12.232 680 HA2 GLY 91 1HA GLY 91 -1.301 17.396 14.228 681 HA3 GLY 91 2HA GLY 91 -1.188 19.024 14.879 682 H ASN 92 H ASN 92 -2.339 18.791 11.665 683 HA ASN 92 HA ASN 92 -5.127 18.945 12.590 684 HB2 ASN 92 1HB ASN 92 -3.780 20.764 10.582 685 HB3 ASN 92 2HB ASN 92 -5.517 20.712 10.865 686 HD21 ASN 92 1HD2 ASN 92 -2.425 21.246 12.481 687 HD22 ASN 92 2HD2 ASN 92 -3.024 22.382 13.638 688 H HIS 93 H HIS 93 -5.895 17.049 11.849 689 HA HIS 93 HA HIS 93 -5.153 15.464 9.809 690 HB2 HIS 93 1HB HIS 93 -7.819 16.078 10.986 691 HB3 HIS 93 2HB HIS 93 -7.783 15.123 9.507 692 HD1 HIS 93 1HD HIS 93 -6.793 12.743 9.654 693 HD2 HIS 93 2HD HIS 93 -6.844 14.786 13.272 694 HE1 HIS 93 1HE HIS 93 -6.322 11.008 11.414 695 HE2 HIS 93 2HE HIS 93 -6.442 12.252 13.601 696 H VAL 94 H VAL 94 -5.464 15.274 7.608 697 HA VAL 94 HA VAL 94 -6.224 17.762 6.244 698 HB VAL 94 HB VAL 94 -5.004 16.881 4.300 699 HG11 VAL 94 1HG1 VAL 94 -3.223 17.909 5.136 700 HG12 VAL 94 2HG1 VAL 94 -3.911 17.748 6.753 701 HG13 VAL 94 3HG1 VAL 94 -2.838 16.498 6.120 702 HG21 VAL 94 1HG2 VAL 94 -5.411 14.427 5.341 703 HG22 VAL 94 2HG2 VAL 94 -4.178 14.786 4.132 704 HG23 VAL 94 3HG2 VAL 94 -3.742 14.707 5.838 705 H ALA 95 H ALA 95 -6.920 17.119 3.816 706 HA ALA 95 HA ALA 95 -9.506 15.961 4.093 707 HB1 ALA 95 1HB ALA 95 -8.033 16.684 1.564 708 HB2 ALA 95 2HB ALA 95 -9.769 16.416 1.731 709 HB3 ALA 95 3HB ALA 95 -9.009 17.796 2.525 710 H ASN 96 H ASN 96 -10.327 14.053 3.225 711 HA ASN 96 HA ASN 96 -10.338 11.855 2.644 712 HB2 ASN 96 1HB ASN 96 -7.712 12.487 1.279 713 HB3 ASN 96 2HB ASN 96 -8.731 11.084 0.976 714 HD21 ASN 96 1HD2 ASN 96 -8.214 14.421 0.367 715 HD22 ASN 96 2HD2 ASN 96 -9.496 14.638 -0.771 716 H SER 97 H SER 97 -9.010 12.799 5.108 717 HA SER 97 HA SER 97 -7.369 10.406 5.605 718 HB2 SER 97 1HB SER 97 -5.826 12.252 5.525 719 HB3 SER 97 2HB SER 97 -6.858 13.227 6.569 720 HG SER 97 HG SER 97 -5.482 12.430 7.999 721 HA PRO 98 HA PRO 98 -6.346 9.526 7.387 722 HB2 PRO 98 1HB PRO 98 -7.035 7.074 8.329 723 HB3 PRO 98 2HB PRO 98 -6.481 8.385 9.377 724 HG2 PRO 98 1HG PRO 98 -9.273 7.462 8.810 725 HG3 PRO 98 2HG PRO 98 -8.539 7.923 10.357 726 HD2 PRO 98 1HD PRO 98 -10.136 9.594 8.946 727 HD3 PRO 98 2HD PRO 98 -8.792 10.177 9.949 728 H VAL 99 H VAL 99 -5.725 8.266 5.678 729 HA VAL 99 HA VAL 99 -7.708 7.688 3.682 730 HB VAL 99 HB VAL 99 -4.768 6.995 3.651 731 HG11 VAL 99 1HG1 VAL 99 -4.977 6.712 1.325 732 HG12 VAL 99 2HG1 VAL 99 -6.354 5.856 2.020 733 HG13 VAL 99 3HG1 VAL 99 -6.578 7.449 1.296 734 HG21 VAL 99 1HG2 VAL 99 -4.246 9.091 2.979 735 HG22 VAL 99 2HG2 VAL 99 -5.782 9.323 2.141 736 HG23 VAL 99 3HG2 VAL 99 -5.697 9.504 3.894 737 H SER 100 H SER 100 -8.762 5.842 3.394 738 HA SER 100 HA SER 100 -8.061 3.529 5.001 739 HB2 SER 100 1HB SER 100 -10.199 2.613 4.271 740 HB3 SER 100 2HB SER 100 -10.421 4.273 4.823 741 HG SER 100 HG SER 100 -11.499 3.872 2.843 742 H ILE 101 H ILE 101 -7.117 1.720 4.279 743 HA ILE 101 HA ILE 101 -6.826 1.364 1.371 744 HB ILE 101 HB ILE 101 -4.694 0.951 3.468 745 HG12 ILE 101 1HG1 ILE 101 -4.772 2.751 1.037 746 HG13 ILE 101 2HG1 ILE 101 -5.033 3.283 2.694 747 HG21 ILE 101 1HG2 ILE 101 -4.586 0.323 0.520 748 HG22 ILE 101 2HG2 ILE 101 -3.263 0.156 1.674 749 HG23 ILE 101 3HG2 ILE 101 -4.693 -0.867 1.818 750 HD11 ILE 101 1HD1 ILE 101 -2.781 3.786 1.953 751 HD12 ILE 101 2HD1 ILE 101 -2.759 2.606 3.264 752 HD13 ILE 101 3HD1 ILE 101 -2.501 2.082 1.601 753 H MET 102 H MET 102 -6.825 -0.749 0.609 754 HA MET 102 HA MET 102 -7.718 -2.763 2.563 755 HB2 MET 102 1HB MET 102 -9.313 -2.041 0.720 756 HB3 MET 102 2HB MET 102 -8.220 -2.829 -0.410 757 HG2 MET 102 1HG MET 102 -9.688 -4.521 -0.060 758 HG3 MET 102 2HG MET 102 -8.539 -4.862 1.231 759 HE1 MET 102 1HE MET 102 -11.032 -5.974 3.379 760 HE2 MET 102 2HE MET 102 -9.380 -5.952 2.765 761 HE3 MET 102 3HE MET 102 -9.824 -4.938 4.138 762 H VAL 103 H VAL 103 -6.295 -4.300 3.007 763 HA VAL 103 HA VAL 103 -4.257 -4.965 0.987 764 HB VAL 103 HB VAL 103 -4.117 -5.336 3.982 765 HG11 VAL 103 1HG1 VAL 103 -1.773 -5.928 3.583 766 HG12 VAL 103 2HG1 VAL 103 -2.872 -7.049 2.775 767 HG13 VAL 103 3HG1 VAL 103 -2.039 -5.803 1.845 768 HG21 VAL 103 1HG2 VAL 103 -3.067 -3.358 4.165 769 HG22 VAL 103 2HG2 VAL 103 -2.202 -3.561 2.641 770 HG23 VAL 103 3HG2 VAL 103 -3.868 -2.986 2.638 771 H VAL 104 H VAL 104 -4.161 -6.977 0.201 772 HA VAL 104 HA VAL 104 -5.536 -9.137 1.638 773 HB VAL 104 HB VAL 104 -6.506 -9.989 -0.438 774 HG11 VAL 104 1HG1 VAL 104 -7.682 -8.302 1.070 775 HG12 VAL 104 2HG1 VAL 104 -7.329 -7.111 -0.183 776 HG13 VAL 104 3HG1 VAL 104 -8.329 -8.515 -0.557 777 HG21 VAL 104 1HG2 VAL 104 -6.553 -8.440 -2.429 778 HG22 VAL 104 2HG2 VAL 104 -5.264 -7.526 -1.646 779 HG23 VAL 104 3HG2 VAL 104 -5.002 -9.211 -2.097 780 H GLN 105 H GLN 105 -4.637 -11.161 1.408 781 HA GLN 105 HA GLN 105 -1.890 -11.279 0.737 782 HB2 GLN 105 1HB GLN 105 -3.770 -13.614 1.106 783 HB3 GLN 105 2HB GLN 105 -2.021 -13.621 1.288 784 HG2 GLN 105 1HG GLN 105 -2.196 -12.162 3.222 785 HG3 GLN 105 2HG GLN 105 -3.947 -12.096 3.027 786 HE21 GLN 105 1HE2 GLN 105 -1.395 -13.662 4.512 787 HE22 GLN 105 2HE2 GLN 105 -2.242 -15.051 5.095 788 H SER 106 H SER 106 -1.716 -10.611 -1.426 789 HA SER 106 HA SER 106 -2.975 -12.272 -3.470 790 HB2 SER 106 1HB SER 106 -2.061 -10.600 -5.060 791 HB3 SER 106 2HB SER 106 -3.066 -9.861 -3.812 792 HG SER 106 HG SER 106 -1.288 -8.621 -3.832 793 H GLU 107 H GLU 107 -1.784 -14.193 -3.126 794 HA GLU 107 HA GLU 107 1.091 -14.078 -3.664 795 HB2 GLU 107 1HB GLU 107 0.465 -15.382 -1.729 796 HB3 GLU 107 2HB GLU 107 -0.681 -16.318 -2.680 797 HG2 GLU 107 1HG GLU 107 1.077 -17.770 -2.569 798 HG3 GLU 107 2HG GLU 107 1.432 -16.937 -4.081 799 H ILE 108 H ILE 108 1.775 -14.340 -5.673 800 HA ILE 108 HA ILE 108 0.032 -15.582 -7.652 801 HB ILE 108 HB ILE 108 2.674 -14.157 -7.989 802 HG12 ILE 108 1HG1 ILE 108 0.053 -13.140 -9.007 803 HG13 ILE 108 2HG1 ILE 108 0.431 -12.943 -7.299 804 HG21 ILE 108 1HG2 ILE 108 1.840 -14.113 -10.431 805 HG22 ILE 108 2HG2 ILE 108 2.581 -15.589 -9.813 806 HG23 ILE 108 3HG2 ILE 108 0.827 -15.470 -9.942 807 HD11 ILE 108 1HD1 ILE 108 2.701 -12.115 -8.746 808 HD12 ILE 108 2HD1 ILE 108 1.290 -11.386 -9.514 809 HD13 ILE 108 3HD1 ILE 108 1.587 -11.132 -7.795 810 H GLY 109 H GLY 109 3.431 -15.873 -6.597 811 HA2 GLY 109 1HA GLY 109 3.905 -18.361 -6.084 812 HA3 GLY 109 2HA GLY 109 3.490 -18.566 -7.778 813 H ASP 110 H ASP 110 5.461 -16.178 -6.016 814 HA ASP 110 HA ASP 110 7.408 -16.042 -8.078 815 HB2 ASP 110 1HB ASP 110 6.911 -14.216 -6.428 816 HB3 ASP 110 2HB ASP 110 7.728 -15.178 -5.199 817 H SER 111 H SER 111 8.767 -17.626 -8.566 818 HA SER 111 HA SER 111 9.974 -19.165 -6.361 819 HB2 SER 111 1HB SER 111 8.366 -20.489 -7.759 820 HB3 SER 111 2HB SER 111 9.414 -20.203 -9.148 821 HG SER 111 HG SER 111 10.154 -21.519 -6.742 822 H GLY 112 H GLY 112 11.992 -18.439 -6.136 823 HA2 GLY 112 1HA GLY 112 13.787 -18.585 -8.415 824 HA3 GLY 112 2HA GLY 112 13.585 -16.983 -7.722 825 HA PRO 113 HA PRO 113 16.867 -19.574 -5.463 826 HB2 PRO 113 1HB PRO 113 19.070 -18.286 -6.389 827 HB3 PRO 113 2HB PRO 113 18.380 -19.703 -7.188 828 HG2 PRO 113 1HG PRO 113 18.056 -16.805 -7.863 829 HG3 PRO 113 2HG PRO 113 18.327 -18.183 -8.946 830 HD2 PRO 113 1HD PRO 113 15.880 -17.086 -8.567 831 HD3 PRO 113 2HD PRO 113 16.110 -18.815 -8.901 832 H SER 114 H SER 114 18.200 -18.797 -3.735 833 HA SER 114 HA SER 114 17.475 -16.077 -2.890 834 HB2 SER 114 1HB SER 114 18.352 -17.073 -0.610 835 HB3 SER 114 2HB SER 114 16.730 -17.455 -1.187 836 HG SER 114 HG SER 114 19.056 -19.055 -1.486 837 H SER 115 H SER 115 19.825 -17.233 -4.580 838 HA SER 115 HA SER 115 21.748 -15.323 -3.717 839 HB2 SER 115 1HB SER 115 22.036 -17.317 -2.103 840 HB3 SER 115 2HB SER 115 22.714 -18.167 -3.491 841 HG SER 115 HG SER 115 24.067 -16.112 -3.624 842 H GLY 116 H GLY 116 22.140 -14.554 -5.698 843 HA2 GLY 116 1HA GLY 116 22.228 -16.259 -8.015 844 HA3 GLY 116 2HA GLY 116 22.523 -14.528 -7.981 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -13.673 -26.705 3.183 2 HA2 GLY 1 1HA GLY 1 -11.031 -26.183 3.819 3 HA3 GLY 1 2HA GLY 1 -11.543 -27.268 2.534 4 H SER 2 H SER 2 -9.433 -26.433 1.658 5 HA SER 2 HA SER 2 -9.772 -23.831 0.330 6 HB2 SER 2 1HB SER 2 -7.397 -23.693 0.151 7 HB3 SER 2 2HB SER 2 -7.738 -24.229 1.797 8 HG SER 2 HG SER 2 -6.054 -25.406 0.591 9 H SER 3 H SER 3 -9.859 -23.683 -1.838 10 HA SER 3 HA SER 3 -10.470 -25.929 -3.398 11 HB2 SER 3 1HB SER 3 -11.117 -23.546 -3.897 12 HB3 SER 3 2HB SER 3 -9.462 -23.274 -4.440 13 HG SER 3 HG SER 3 -10.255 -23.934 -6.280 14 H GLY 4 H GLY 4 -7.483 -24.008 -3.203 15 HA2 GLY 4 1HA GLY 4 -5.343 -25.134 -3.249 16 HA3 GLY 4 2HA GLY 4 -6.049 -26.324 -4.333 17 H SER 5 H SER 5 -5.215 -22.880 -4.118 18 HA SER 5 HA SER 5 -4.840 -22.868 -7.037 19 HB2 SER 5 1HB SER 5 -5.609 -20.739 -5.071 20 HB3 SER 5 2HB SER 5 -4.811 -20.282 -6.575 21 HG SER 5 HG SER 5 -7.219 -20.411 -6.531 22 H SER 6 H SER 6 -2.759 -23.857 -6.850 23 HA SER 6 HA SER 6 -0.657 -21.904 -6.415 24 HB2 SER 6 1HB SER 6 -1.132 -23.269 -4.236 25 HB3 SER 6 2HB SER 6 -0.294 -24.570 -5.082 26 HG SER 6 HG SER 6 0.685 -22.098 -4.189 27 H GLY 7 H GLY 7 1.415 -22.595 -7.287 28 HA2 GLY 7 1HA GLY 7 1.774 -25.022 -8.680 29 HA3 GLY 7 2HA GLY 7 1.194 -23.801 -9.802 30 H ILE 8 H ILE 8 3.455 -24.591 -10.612 31 HA ILE 8 HA ILE 8 5.856 -23.933 -9.518 32 HB ILE 8 HB ILE 8 6.726 -23.569 -11.788 33 HG12 ILE 8 1HG1 ILE 8 4.828 -24.014 -13.602 34 HG13 ILE 8 2HG1 ILE 8 3.819 -23.253 -12.376 35 HG21 ILE 8 1HG2 ILE 8 4.894 -25.795 -12.308 36 HG22 ILE 8 2HG2 ILE 8 6.656 -25.767 -12.229 37 HG23 ILE 8 3HG2 ILE 8 5.708 -25.868 -10.745 38 HD11 ILE 8 1HD1 ILE 8 6.071 -21.623 -12.600 39 HD12 ILE 8 2HD1 ILE 8 5.630 -22.059 -14.251 40 HD13 ILE 8 3HD1 ILE 8 4.442 -21.298 -13.192 41 HA PRO 9 HA PRO 9 5.934 -19.569 -8.924 42 HB2 PRO 9 1HB PRO 9 8.622 -19.197 -8.883 43 HB3 PRO 9 2HB PRO 9 7.735 -19.943 -7.547 44 HG2 PRO 9 1HG PRO 9 9.305 -21.244 -9.739 45 HG3 PRO 9 2HG PRO 9 9.267 -21.630 -8.009 46 HD2 PRO 9 1HD PRO 9 7.883 -23.053 -9.851 47 HD3 PRO 9 2HD PRO 9 7.301 -22.819 -8.190 48 H GLY 10 H GLY 10 5.357 -18.221 -10.514 49 HA2 GLY 10 1HA GLY 10 7.286 -17.659 -12.637 50 HA3 GLY 10 2HA GLY 10 5.692 -18.209 -13.134 51 H SER 11 H SER 11 3.831 -16.921 -12.344 52 HA SER 11 HA SER 11 4.296 -14.241 -11.435 53 HB2 SER 11 1HB SER 11 3.541 -13.065 -13.414 54 HB3 SER 11 2HB SER 11 4.920 -14.075 -13.847 55 HG SER 11 HG SER 11 2.261 -14.270 -14.605 56 HA PRO 12 HA PRO 12 0.159 -14.785 -10.056 57 HB2 PRO 12 1HB PRO 12 -0.569 -12.192 -9.718 58 HB3 PRO 12 2HB PRO 12 0.550 -13.024 -8.633 59 HG2 PRO 12 1HG PRO 12 1.142 -11.156 -10.898 60 HG3 PRO 12 2HG PRO 12 1.876 -11.227 -9.285 61 HD2 PRO 12 1HD PRO 12 3.070 -12.275 -11.478 62 HD3 PRO 12 2HD PRO 12 3.266 -12.974 -9.858 63 H PHE 13 H PHE 13 0.865 -12.882 -12.879 64 HA PHE 13 HA PHE 13 -1.861 -13.393 -13.858 65 HB2 PHE 13 1HB PHE 13 -0.259 -10.874 -14.345 66 HB3 PHE 13 2HB PHE 13 -1.853 -11.226 -15.002 67 HD1 PHE 13 2HD PHE 13 -3.811 -11.336 -13.490 68 HD2 PHE 13 1HD PHE 13 0.017 -10.054 -12.143 69 HE1 PHE 13 2HE PHE 13 -4.853 -10.321 -11.505 70 HE2 PHE 13 1HE PHE 13 -1.019 -9.037 -10.157 71 HZ PHE 13 HZ PHE 13 -3.457 -9.169 -9.836 72 H THR 14 H THR 14 -2.037 -14.080 -15.944 73 HA THR 14 HA THR 14 0.445 -14.879 -17.244 74 HB THR 14 HB THR 14 -1.103 -16.095 -18.824 75 HG1 THR 14 1HG THR 14 -3.111 -15.426 -18.701 76 HG21 THR 14 1HG2 THR 14 -0.037 -17.137 -16.815 77 HG22 THR 14 2HG2 THR 14 -1.560 -17.885 -17.292 78 HG23 THR 14 3HG2 THR 14 -1.511 -16.785 -15.915 79 H ALA 15 H ALA 15 -2.506 -13.056 -18.030 80 HA ALA 15 HA ALA 15 -1.072 -11.215 -19.669 81 HB1 ALA 15 1HB ALA 15 -1.259 -12.106 -21.690 82 HB2 ALA 15 2HB ALA 15 -1.895 -13.576 -20.951 83 HB3 ALA 15 3HB ALA 15 -2.999 -12.307 -21.485 84 H LYS 16 H LYS 16 -2.069 -9.353 -19.323 85 HA LYS 16 HA LYS 16 -4.916 -9.363 -18.631 86 HB2 LYS 16 1HB LYS 16 -3.527 -8.268 -17.003 87 HB3 LYS 16 2HB LYS 16 -2.750 -7.294 -18.245 88 HG2 LYS 16 1HG LYS 16 -5.094 -6.352 -18.692 89 HG3 LYS 16 2HG LYS 16 -5.519 -7.056 -17.129 90 HD2 LYS 16 1HD LYS 16 -4.905 -4.882 -16.579 91 HD3 LYS 16 2HD LYS 16 -3.435 -5.803 -16.255 92 HE2 LYS 16 1HE LYS 16 -2.810 -5.200 -18.692 93 HE3 LYS 16 2HE LYS 16 -4.048 -3.955 -18.532 94 HZ1 LYS 16 1HZ LYS 16 -2.869 -2.907 -16.827 95 HZ2 LYS 16 2HZ LYS 16 -1.685 -3.303 -17.968 96 HZ3 LYS 16 3HZ LYS 16 -1.855 -4.237 -16.568 97 H ILE 17 H ILE 17 -6.434 -8.409 -19.865 98 HA ILE 17 HA ILE 17 -5.530 -7.164 -22.372 99 HB ILE 17 HB ILE 17 -8.237 -8.359 -21.769 100 HG12 ILE 17 1HG1 ILE 17 -7.398 -10.127 -23.431 101 HG13 ILE 17 2HG1 ILE 17 -5.787 -9.491 -23.114 102 HG21 ILE 17 1HG2 ILE 17 -8.166 -6.568 -23.491 103 HG22 ILE 17 2HG2 ILE 17 -7.033 -7.555 -24.412 104 HG23 ILE 17 3HG2 ILE 17 -8.671 -8.136 -24.118 105 HD11 ILE 17 1HD1 ILE 17 -7.385 -10.176 -20.741 106 HD12 ILE 17 2HD1 ILE 17 -6.881 -11.525 -21.760 107 HD13 ILE 17 3HD1 ILE 17 -5.674 -10.434 -21.078 108 H THR 18 H THR 18 -7.741 -6.803 -19.652 109 HA THR 18 HA THR 18 -7.853 -3.933 -20.173 110 HB THR 18 HB THR 18 -10.300 -3.862 -19.802 111 HG1 THR 18 1HG THR 18 -9.905 -6.629 -19.613 112 HG21 THR 18 1HG2 THR 18 -10.127 -5.691 -22.102 113 HG22 THR 18 2HG2 THR 18 -8.985 -4.347 -22.126 114 HG23 THR 18 3HG2 THR 18 -10.716 -4.032 -22.014 115 H ASP 19 H ASP 19 -7.410 -2.892 -18.353 116 HA ASP 19 HA ASP 19 -7.084 -4.144 -15.871 117 HB2 ASP 19 1HB ASP 19 -7.277 -1.269 -16.720 118 HB3 ASP 19 2HB ASP 19 -7.149 -1.694 -15.016 119 H ASP 20 H ASP 20 -8.596 -4.950 -14.589 120 HA ASP 20 HA ASP 20 -11.289 -4.790 -14.777 121 HB2 ASP 20 1HB ASP 20 -9.900 -4.793 -12.095 122 HB3 ASP 20 2HB ASP 20 -11.446 -5.528 -12.509 123 H SER 21 H SER 21 -12.919 -3.681 -13.437 124 HA SER 21 HA SER 21 -12.179 -0.858 -13.030 125 HB2 SER 21 1HB SER 21 -14.713 -2.152 -14.008 126 HB3 SER 21 2HB SER 21 -14.735 -0.527 -13.323 127 HG SER 21 HG SER 21 -14.271 -0.016 -15.324 128 H ARG 22 H ARG 22 -11.711 -2.687 -10.987 129 HA ARG 22 HA ARG 22 -13.916 -2.305 -9.095 130 HB2 ARG 22 1HB ARG 22 -12.881 -3.991 -7.737 131 HB3 ARG 22 2HB ARG 22 -12.931 -4.581 -9.393 132 HG2 ARG 22 1HG ARG 22 -10.559 -3.860 -9.646 133 HG3 ARG 22 2HG ARG 22 -10.549 -3.481 -7.923 134 HD2 ARG 22 1HD ARG 22 -9.651 -5.635 -8.044 135 HD3 ARG 22 2HD ARG 22 -11.331 -5.890 -7.575 136 HE ARG 22 HE ARG 22 -10.814 -6.017 -10.417 137 HH11 ARG 22 1HH1 ARG 22 -11.080 -7.773 -7.422 138 HH12 ARG 22 2HH1 ARG 22 -11.389 -9.295 -8.192 139 HH21 ARG 22 1HH2 ARG 22 -11.220 -8.014 -11.441 140 HH22 ARG 22 2HH2 ARG 22 -11.468 -9.430 -10.477 141 H ARG 23 H ARG 23 -13.099 -1.949 -6.751 142 HA ARG 23 HA ARG 23 -11.337 0.394 -6.826 143 HB2 ARG 23 1HB ARG 23 -13.540 -0.494 -4.999 144 HB3 ARG 23 2HB ARG 23 -12.326 0.636 -4.415 145 HG2 ARG 23 1HG ARG 23 -12.909 2.236 -6.091 146 HG3 ARG 23 2HG ARG 23 -13.982 1.081 -6.886 147 HD2 ARG 23 1HD ARG 23 -15.618 1.305 -5.307 148 HD3 ARG 23 2HD ARG 23 -14.475 1.702 -4.023 149 HE ARG 23 HE ARG 23 -15.896 3.538 -5.615 150 HH11 ARG 23 1HH1 ARG 23 -12.730 3.014 -4.267 151 HH12 ARG 23 2HH1 ARG 23 -12.344 4.701 -4.181 152 HH21 ARG 23 1HH2 ARG 23 -15.400 5.762 -5.507 153 HH22 ARG 23 2HH2 ARG 23 -13.864 6.263 -4.885 154 H CYS 24 H CYS 24 -11.952 -2.512 -4.864 155 HA CYS 24 HA CYS 24 -10.016 -2.400 -2.989 156 HB2 CYS 24 1HB CYS 24 -11.493 -4.299 -3.118 157 HB3 CYS 24 2HB CYS 24 -10.800 -4.794 -4.657 158 HG CYS 24 HG CYS 24 -9.015 -4.751 -1.741 159 H SER 25 H SER 25 -7.948 -1.854 -3.090 160 HA SER 25 HA SER 25 -6.425 -2.393 -5.525 161 HB2 SER 25 1HB SER 25 -5.896 -0.641 -3.122 162 HB3 SER 25 2HB SER 25 -4.693 -0.926 -4.380 163 HG SER 25 HG SER 25 -7.237 0.294 -4.651 164 H GLN 26 H GLN 26 -5.696 -4.446 -5.514 165 HA GLN 26 HA GLN 26 -4.931 -5.892 -3.219 166 HB2 GLN 26 1HB GLN 26 -5.533 -6.703 -5.629 167 HB3 GLN 26 2HB GLN 26 -3.812 -6.504 -5.933 168 HG2 GLN 26 1HG GLN 26 -3.559 -7.951 -3.778 169 HG3 GLN 26 2HG GLN 26 -5.212 -8.436 -4.151 170 HE21 GLN 26 1HE2 GLN 26 -5.515 -9.995 -5.596 171 HE22 GLN 26 2HE2 GLN 26 -4.299 -10.651 -6.633 172 H VAL 27 H VAL 27 -3.037 -6.106 -2.166 173 HA VAL 27 HA VAL 27 -0.666 -4.774 -3.294 174 HB VAL 27 HB VAL 27 -1.345 -4.716 -0.359 175 HG11 VAL 27 1HG1 VAL 27 0.732 -3.403 -2.083 176 HG12 VAL 27 2HG1 VAL 27 0.303 -2.768 -0.494 177 HG13 VAL 27 3HG1 VAL 27 0.958 -4.399 -0.646 178 HG21 VAL 27 1HG2 VAL 27 -1.954 -2.330 -0.737 179 HG22 VAL 27 2HG2 VAL 27 -1.903 -2.639 -2.473 180 HG23 VAL 27 3HG2 VAL 27 -3.081 -3.477 -1.460 181 H LYS 28 H LYS 28 1.380 -5.499 -2.293 182 HA LYS 28 HA LYS 28 1.281 -8.386 -1.828 183 HB2 LYS 28 1HB LYS 28 3.624 -6.573 -2.441 184 HB3 LYS 28 2HB LYS 28 3.706 -8.323 -2.283 185 HG2 LYS 28 1HG LYS 28 2.033 -6.893 -4.334 186 HG3 LYS 28 2HG LYS 28 3.663 -7.502 -4.628 187 HD2 LYS 28 1HD LYS 28 2.650 -9.746 -3.719 188 HD3 LYS 28 2HD LYS 28 1.120 -9.002 -4.190 189 HE2 LYS 28 1HE LYS 28 1.820 -10.260 -6.056 190 HE3 LYS 28 2HE LYS 28 2.179 -8.580 -6.451 191 HZ1 LYS 28 1HZ LYS 28 4.284 -10.160 -5.177 192 HZ2 LYS 28 2HZ LYS 28 4.406 -8.929 -6.330 193 HZ3 LYS 28 3HZ LYS 28 3.937 -10.484 -6.800 194 H LEU 29 H LEU 29 1.017 -8.877 0.262 195 HA LEU 29 HA LEU 29 1.749 -7.294 2.445 196 HB2 LEU 29 1HB LEU 29 0.137 -9.232 2.408 197 HB3 LEU 29 2HB LEU 29 1.540 -10.296 2.463 198 HG LEU 29 HG LEU 29 2.151 -9.090 4.632 199 HD11 LEU 29 1HD1 LEU 29 -0.572 -8.493 5.298 200 HD12 LEU 29 2HD1 LEU 29 -0.070 -7.540 3.901 201 HD13 LEU 29 3HD1 LEU 29 0.857 -7.463 5.401 202 HD21 LEU 29 1HD2 LEU 29 1.420 -11.328 4.753 203 HD22 LEU 29 2HD2 LEU 29 -0.239 -10.892 4.345 204 HD23 LEU 29 3HD2 LEU 29 0.431 -10.441 5.914 205 H GLY 30 H GLY 30 3.534 -7.179 3.735 206 HA2 GLY 30 1HA GLY 30 5.695 -7.517 4.459 207 HA3 GLY 30 2HA GLY 30 5.675 -9.063 3.623 208 H SER 31 H SER 31 4.903 -6.239 1.804 209 HA SER 31 HA SER 31 7.636 -5.897 0.859 210 HB2 SER 31 1HB SER 31 5.390 -6.633 -1.034 211 HB3 SER 31 2HB SER 31 7.054 -6.259 -1.484 212 HG SER 31 HG SER 31 6.072 -8.606 -0.862 213 H ALA 32 H ALA 32 8.045 -3.817 0.497 214 HA ALA 32 HA ALA 32 6.245 -1.775 1.009 215 HB1 ALA 32 1HB ALA 32 8.865 -1.806 0.748 216 HB2 ALA 32 2HB ALA 32 8.480 -1.248 -0.880 217 HB3 ALA 32 3HB ALA 32 7.941 -0.321 0.520 218 H ALA 33 H ALA 33 4.711 -0.759 -0.126 219 HA ALA 33 HA ALA 33 4.687 -0.994 -3.046 220 HB1 ALA 33 1HB ALA 33 3.083 -2.601 -1.497 221 HB2 ALA 33 2HB ALA 33 2.017 -1.258 -1.911 222 HB3 ALA 33 3HB ALA 33 2.804 -2.185 -3.188 223 H ASP 34 H ASP 34 3.636 0.686 -4.121 224 HA ASP 34 HA ASP 34 3.462 3.143 -2.626 225 HB2 ASP 34 1HB ASP 34 4.482 3.253 -4.797 226 HB3 ASP 34 2HB ASP 34 3.078 2.504 -5.553 227 H PHE 35 H PHE 35 1.637 4.511 -2.506 228 HA PHE 35 HA PHE 35 -0.950 3.262 -3.106 229 HB2 PHE 35 1HB PHE 35 -0.145 4.495 -0.466 230 HB3 PHE 35 2HB PHE 35 -1.804 4.100 -0.903 231 HD1 PHE 35 1HD PHE 35 1.564 2.566 -0.550 232 HD2 PHE 35 2HD PHE 35 -2.652 2.000 -0.430 233 HE1 PHE 35 1HE PHE 35 1.900 0.274 0.281 234 HE2 PHE 35 2HE PHE 35 -2.324 -0.292 0.402 235 HZ PHE 35 HZ PHE 35 -0.047 -1.157 0.759 236 H LEU 36 H LEU 36 -1.906 4.585 -4.500 237 HA LEU 36 HA LEU 36 -1.360 7.438 -4.445 238 HB2 LEU 36 1HB LEU 36 -1.594 5.833 -6.514 239 HB3 LEU 36 2HB LEU 36 -3.310 6.183 -6.319 240 HG LEU 36 HG LEU 36 -2.516 8.673 -6.388 241 HD11 LEU 36 1HD1 LEU 36 -0.576 8.641 -8.180 242 HD12 LEU 36 2HD1 LEU 36 -0.150 7.150 -7.340 243 HD13 LEU 36 3HD1 LEU 36 -0.238 8.670 -6.449 244 HD21 LEU 36 1HD2 LEU 36 -2.276 7.487 -9.068 245 HD22 LEU 36 2HD2 LEU 36 -3.386 8.716 -8.463 246 HD23 LEU 36 3HD2 LEU 36 -3.709 7.009 -8.157 247 H LEU 37 H LEU 37 -2.618 8.878 -3.473 248 HA LEU 37 HA LEU 37 -5.447 8.220 -3.024 249 HB2 LEU 37 1HB LEU 37 -5.399 8.930 -0.797 250 HB3 LEU 37 2HB LEU 37 -3.977 7.906 -0.981 251 HG LEU 37 HG LEU 37 -4.005 10.923 -0.901 252 HD11 LEU 37 1HD1 LEU 37 -2.887 10.679 1.223 253 HD12 LEU 37 2HD1 LEU 37 -2.917 8.922 1.074 254 HD13 LEU 37 3HD1 LEU 37 -4.425 9.817 1.264 255 HD21 LEU 37 1HD2 LEU 37 -2.172 10.575 -2.203 256 HD22 LEU 37 2HD2 LEU 37 -1.920 8.934 -1.609 257 HD23 LEU 37 3HD2 LEU 37 -1.438 10.314 -0.621 258 H ASP 38 H ASP 38 -6.872 9.866 -3.316 259 HA ASP 38 HA ASP 38 -5.886 12.234 -4.634 260 HB2 ASP 38 1HB ASP 38 -8.745 11.625 -3.873 261 HB3 ASP 38 2HB ASP 38 -8.176 12.719 -5.130 262 H ILE 39 H ILE 39 -4.904 13.614 -3.248 263 HA ILE 39 HA ILE 39 -6.548 14.650 -1.032 264 HB ILE 39 HB ILE 39 -4.288 15.203 0.061 265 HG12 ILE 39 1HG1 ILE 39 -3.348 12.888 -1.629 266 HG13 ILE 39 2HG1 ILE 39 -3.027 14.565 -2.063 267 HG21 ILE 39 1HG2 ILE 39 -4.124 12.639 0.750 268 HG22 ILE 39 2HG2 ILE 39 -5.444 13.678 1.283 269 HG23 ILE 39 3HG2 ILE 39 -5.677 12.591 -0.085 270 HD11 ILE 39 1HD1 ILE 39 -2.027 14.732 0.313 271 HD12 ILE 39 2HD1 ILE 39 -1.971 12.971 0.226 272 HD13 ILE 39 3HD1 ILE 39 -1.103 13.941 -0.963 273 H SER 40 H SER 40 -6.699 16.827 -0.837 274 HA SER 40 HA SER 40 -5.723 18.417 -3.050 275 HB2 SER 40 1HB SER 40 -8.051 18.529 -1.791 276 HB3 SER 40 2HB SER 40 -7.170 19.628 -0.729 277 HG SER 40 HG SER 40 -7.656 21.045 -2.209 278 H GLU 41 H GLU 41 -3.677 17.415 -1.374 279 HA GLU 41 HA GLU 41 -2.576 19.949 -0.373 280 HB2 GLU 41 1HB GLU 41 -2.313 17.264 0.995 281 HB3 GLU 41 2HB GLU 41 -1.525 18.752 1.501 282 HG2 GLU 41 1HG GLU 41 -4.460 18.122 1.533 283 HG3 GLU 41 2HG GLU 41 -3.401 18.430 2.908 284 H THR 42 H THR 42 -0.704 20.431 -1.297 285 HA THR 42 HA THR 42 0.678 18.407 -2.866 286 HB THR 42 HB THR 42 2.120 20.392 -3.561 287 HG1 THR 42 1HG THR 42 1.390 22.416 -3.008 288 HG21 THR 42 1HG2 THR 42 0.769 20.464 -5.333 289 HG22 THR 42 2HG2 THR 42 -0.474 21.306 -4.408 290 HG23 THR 42 3HG2 THR 42 -0.416 19.543 -4.407 291 H ASP 43 H ASP 43 1.783 20.986 -0.659 292 HA ASP 43 HA ASP 43 4.319 20.310 -0.170 293 HB2 ASP 43 1HB ASP 43 2.325 20.963 2.011 294 HB3 ASP 43 2HB ASP 43 4.073 21.134 2.131 295 H LEU 44 H LEU 44 5.433 18.588 0.466 296 HA LEU 44 HA LEU 44 4.025 16.228 1.371 297 HB2 LEU 44 1HB LEU 44 6.741 16.861 0.378 298 HB3 LEU 44 2HB LEU 44 6.590 15.476 1.456 299 HG LEU 44 HG LEU 44 4.751 15.626 -0.875 300 HD11 LEU 44 1HD1 LEU 44 7.578 14.649 -1.179 301 HD12 LEU 44 2HD1 LEU 44 7.056 16.254 -1.689 302 HD13 LEU 44 3HD1 LEU 44 6.340 14.819 -2.423 303 HD21 LEU 44 1HD2 LEU 44 4.305 13.648 0.065 304 HD22 LEU 44 2HD2 LEU 44 5.800 13.652 1.003 305 HD23 LEU 44 3HD2 LEU 44 5.812 13.107 -0.675 306 H SER 45 H SER 45 6.886 17.995 2.574 307 HA SER 45 HA SER 45 7.057 16.781 5.055 308 HB2 SER 45 1HB SER 45 8.825 18.224 4.234 309 HB3 SER 45 2HB SER 45 7.754 19.623 4.281 310 HG SER 45 HG SER 45 7.632 19.311 6.569 311 H SER 46 H SER 46 5.179 19.628 4.101 312 HA SER 46 HA SER 46 4.237 20.393 6.602 313 HB2 SER 46 1HB SER 46 3.112 20.647 3.826 314 HB3 SER 46 2HB SER 46 2.192 21.213 5.219 315 HG SER 46 HG SER 46 4.860 21.997 5.032 316 H LEU 47 H LEU 47 3.409 17.664 4.664 317 HA LEU 47 HA LEU 47 1.029 17.111 6.281 318 HB2 LEU 47 1HB LEU 47 2.068 15.659 3.854 319 HB3 LEU 47 2HB LEU 47 0.522 15.387 4.653 320 HG LEU 47 HG LEU 47 1.250 17.998 3.342 321 HD11 LEU 47 1HD1 LEU 47 -0.158 15.604 2.177 322 HD12 LEU 47 2HD1 LEU 47 1.341 16.344 1.615 323 HD13 LEU 47 3HD1 LEU 47 -0.184 17.218 1.467 324 HD21 LEU 47 1HD2 LEU 47 -0.881 17.159 4.999 325 HD22 LEU 47 2HD2 LEU 47 -1.527 17.364 3.370 326 HD23 LEU 47 3HD2 LEU 47 -0.687 18.699 4.162 327 H THR 48 H THR 48 0.725 14.778 6.918 328 HA THR 48 HA THR 48 3.283 13.579 7.755 329 HB THR 48 HB THR 48 0.776 13.484 9.429 330 HG1 THR 48 1HG THR 48 1.218 15.510 9.862 331 HG21 THR 48 1HG2 THR 48 2.560 13.044 11.212 332 HG22 THR 48 2HG2 THR 48 3.662 12.763 9.865 333 HG23 THR 48 3HG2 THR 48 2.232 11.750 10.060 334 H ALA 49 H ALA 49 3.158 11.260 8.234 335 HA ALA 49 HA ALA 49 0.946 9.881 6.880 336 HB1 ALA 49 1HB ALA 49 3.573 10.122 5.854 337 HB2 ALA 49 2HB ALA 49 3.348 8.447 6.359 338 HB3 ALA 49 3HB ALA 49 2.226 9.181 5.212 339 H SER 50 H SER 50 0.123 8.321 8.104 340 HA SER 50 HA SER 50 1.832 6.737 9.838 341 HB2 SER 50 1HB SER 50 -0.183 8.699 10.834 342 HB3 SER 50 2HB SER 50 -0.042 7.159 11.680 343 HG SER 50 HG SER 50 1.675 7.929 12.588 344 H ILE 51 H ILE 51 1.138 4.681 10.023 345 HA ILE 51 HA ILE 51 -1.646 4.040 9.401 346 HB ILE 51 HB ILE 51 0.684 2.720 8.002 347 HG12 ILE 51 1HG1 ILE 51 -1.554 4.327 6.769 348 HG13 ILE 51 2HG1 ILE 51 -0.007 5.037 7.215 349 HG21 ILE 51 1HG2 ILE 51 -2.272 2.167 7.981 350 HG22 ILE 51 2HG2 ILE 51 -1.181 1.591 6.721 351 HG23 ILE 51 3HG2 ILE 51 -0.958 1.064 8.389 352 HD11 ILE 51 1HD1 ILE 51 -0.257 2.706 5.342 353 HD12 ILE 51 2HD1 ILE 51 -0.266 4.386 4.808 354 HD13 ILE 51 3HD1 ILE 51 1.151 3.729 5.627 355 H LYS 52 H LYS 52 -2.421 2.251 10.437 356 HA LYS 52 HA LYS 52 -0.539 0.556 11.906 357 HB2 LYS 52 1HB LYS 52 -1.230 2.308 13.475 358 HB3 LYS 52 2HB LYS 52 -2.919 1.935 13.161 359 HG2 LYS 52 1HG LYS 52 -2.887 0.048 14.427 360 HG3 LYS 52 2HG LYS 52 -1.182 -0.275 14.099 361 HD2 LYS 52 1HD LYS 52 -1.013 0.390 16.274 362 HD3 LYS 52 2HD LYS 52 -0.882 1.966 15.490 363 HE2 LYS 52 1HE LYS 52 -3.450 2.043 15.726 364 HE3 LYS 52 2HE LYS 52 -3.231 0.744 16.898 365 HZ1 LYS 52 1HZ LYS 52 -1.388 2.625 17.617 366 HZ2 LYS 52 2HZ LYS 52 -2.874 2.345 18.374 367 HZ3 LYS 52 3HZ LYS 52 -2.743 3.542 17.187 368 H ALA 53 H ALA 53 -0.959 -1.447 11.265 369 HA ALA 53 HA ALA 53 -3.071 -2.392 9.834 370 HB1 ALA 53 1HB ALA 53 -1.876 -4.257 9.936 371 HB2 ALA 53 2HB ALA 53 -0.876 -3.528 11.194 372 HB3 ALA 53 3HB ALA 53 -2.302 -4.467 11.636 373 HA PRO 54 HA PRO 54 -6.640 -2.893 12.337 374 HB2 PRO 54 1HB PRO 54 -7.467 -5.430 11.837 375 HB3 PRO 54 2HB PRO 54 -7.593 -4.127 10.649 376 HG2 PRO 54 1HG PRO 54 -5.530 -6.284 10.884 377 HG3 PRO 54 2HG PRO 54 -6.341 -5.665 9.434 378 HD2 PRO 54 1HD PRO 54 -3.836 -4.913 10.136 379 HD3 PRO 54 2HD PRO 54 -4.958 -3.826 9.293 380 H SER 55 H SER 55 -3.989 -5.026 12.862 381 HA SER 55 HA SER 55 -5.128 -6.138 15.303 382 HB2 SER 55 1HB SER 55 -2.637 -6.671 13.712 383 HB3 SER 55 2HB SER 55 -2.764 -7.237 15.377 384 HG SER 55 HG SER 55 -4.613 -8.400 14.784 385 H GLY 56 H GLY 56 -3.808 -3.286 14.545 386 HA2 GLY 56 1HA GLY 56 -3.204 -1.601 16.053 387 HA3 GLY 56 2HA GLY 56 -2.932 -2.829 17.280 388 H ARG 57 H ARG 57 -1.452 -3.690 14.395 389 HA ARG 57 HA ARG 57 1.162 -3.067 15.508 390 HB2 ARG 57 1HB ARG 57 0.508 -4.588 12.979 391 HB3 ARG 57 2HB ARG 57 2.046 -4.562 13.833 392 HG2 ARG 57 1HG ARG 57 -0.382 -5.508 15.271 393 HG3 ARG 57 2HG ARG 57 0.391 -6.571 14.094 394 HD2 ARG 57 1HD ARG 57 2.535 -6.270 15.295 395 HD3 ARG 57 2HD ARG 57 1.688 -5.306 16.505 396 HE ARG 57 HE ARG 57 0.319 -7.671 16.415 397 HH11 ARG 57 1HH1 ARG 57 3.625 -6.741 16.988 398 HH12 ARG 57 2HH1 ARG 57 3.955 -8.075 18.043 399 HH21 ARG 57 1HH2 ARG 57 0.740 -9.433 17.802 400 HH22 ARG 57 2HH2 ARG 57 2.314 -9.606 18.504 401 H ASP 58 H ASP 58 1.970 -1.121 15.086 402 HA ASP 58 HA ASP 58 1.169 0.526 12.939 403 HB2 ASP 58 1HB ASP 58 2.024 1.743 14.713 404 HB3 ASP 58 2HB ASP 58 3.357 0.621 14.976 405 H GLU 59 H GLU 59 2.106 0.989 10.984 406 HA GLU 59 HA GLU 59 4.252 -0.839 10.126 407 HB2 GLU 59 1HB GLU 59 2.047 0.406 8.474 408 HB3 GLU 59 2HB GLU 59 3.332 -0.615 7.843 409 HG2 GLU 59 1HG GLU 59 1.731 -2.190 8.057 410 HG3 GLU 59 2HG GLU 59 2.389 -2.274 9.690 411 HA PRO 60 HA PRO 60 6.789 2.684 9.390 412 HB2 PRO 60 1HB PRO 60 8.522 1.587 7.610 413 HB3 PRO 60 2HB PRO 60 8.552 1.211 9.337 414 HG2 PRO 60 1HG PRO 60 7.353 -0.348 7.081 415 HG3 PRO 60 2HG PRO 60 8.301 -0.928 8.462 416 HD2 PRO 60 1HD PRO 60 5.601 -1.104 8.373 417 HD3 PRO 60 2HD PRO 60 6.493 -0.870 9.889 418 H CYS 61 H CYS 61 5.301 4.054 8.331 419 HA CYS 61 HA CYS 61 5.179 3.822 5.406 420 HB2 CYS 61 1HB CYS 61 3.264 5.340 5.524 421 HB3 CYS 61 2HB CYS 61 3.014 3.943 6.564 422 HG CYS 61 HG CYS 61 4.415 6.429 8.241 423 H LEU 62 H LEU 62 5.634 5.606 4.078 424 HA LEU 62 HA LEU 62 6.832 7.960 5.315 425 HB2 LEU 62 1HB LEU 62 8.548 6.079 4.778 426 HB3 LEU 62 2HB LEU 62 8.324 6.599 3.109 427 HG LEU 62 HG LEU 62 10.315 7.595 4.140 428 HD11 LEU 62 1HD1 LEU 62 8.260 9.744 3.717 429 HD12 LEU 62 2HD1 LEU 62 8.888 8.762 2.393 430 HD13 LEU 62 3HD1 LEU 62 9.982 9.776 3.334 431 HD21 LEU 62 1HD2 LEU 62 8.436 9.100 5.945 432 HD22 LEU 62 2HD2 LEU 62 10.200 9.102 5.964 433 HD23 LEU 62 3HD2 LEU 62 9.313 7.657 6.454 434 H LEU 63 H LEU 63 6.230 9.754 4.289 435 HA LEU 63 HA LEU 63 4.639 9.577 1.903 436 HB2 LEU 63 1HB LEU 63 5.406 11.704 3.824 437 HB3 LEU 63 2HB LEU 63 4.906 12.206 2.210 438 HG LEU 63 HG LEU 63 3.190 10.408 3.896 439 HD11 LEU 63 1HD1 LEU 63 1.985 12.395 4.652 440 HD12 LEU 63 2HD1 LEU 63 3.195 13.422 3.883 441 HD13 LEU 63 3HD1 LEU 63 3.650 12.387 5.235 442 HD21 LEU 63 1HD2 LEU 63 1.460 11.040 2.450 443 HD22 LEU 63 2HD2 LEU 63 2.846 10.777 1.391 444 HD23 LEU 63 3HD2 LEU 63 2.366 12.418 1.825 445 H LYS 64 H LYS 64 5.189 10.065 -0.146 446 HA LYS 64 HA LYS 64 7.758 11.358 -0.676 447 HB2 LYS 64 1HB LYS 64 8.498 9.677 -2.201 448 HB3 LYS 64 2HB LYS 64 8.079 8.865 -0.697 449 HG2 LYS 64 1HG LYS 64 5.811 8.414 -1.778 450 HG3 LYS 64 2HG LYS 64 6.584 8.880 -3.294 451 HD2 LYS 64 1HD LYS 64 7.533 6.689 -1.448 452 HD3 LYS 64 2HD LYS 64 6.621 6.445 -2.940 453 HE2 LYS 64 1HE LYS 64 8.587 7.884 -3.958 454 HE3 LYS 64 2HE LYS 64 9.453 7.275 -2.548 455 HZ1 LYS 64 1HZ LYS 64 8.694 5.910 -4.949 456 HZ2 LYS 64 2HZ LYS 64 8.222 5.070 -3.560 457 HZ3 LYS 64 3HZ LYS 64 9.847 5.485 -3.786 458 H ARG 65 H ARG 65 7.972 11.632 -3.186 459 HA ARG 65 HA ARG 65 5.390 12.685 -4.122 460 HB2 ARG 65 1HB ARG 65 7.610 14.103 -3.793 461 HB3 ARG 65 2HB ARG 65 7.968 13.473 -5.396 462 HG2 ARG 65 1HG ARG 65 5.545 15.081 -4.614 463 HG3 ARG 65 2HG ARG 65 6.930 15.651 -5.548 464 HD2 ARG 65 1HD ARG 65 6.410 14.015 -7.299 465 HD3 ARG 65 2HD ARG 65 5.019 13.466 -6.366 466 HE ARG 65 HE ARG 65 3.851 15.228 -7.206 467 HH11 ARG 65 1HH1 ARG 65 7.246 15.969 -7.397 468 HH12 ARG 65 2HH1 ARG 65 7.005 17.472 -8.225 469 HH21 ARG 65 1HH2 ARG 65 3.520 17.205 -8.297 470 HH22 ARG 65 2HH2 ARG 65 4.885 18.174 -8.736 471 H LEU 66 H LEU 66 4.411 11.615 -5.698 472 HA LEU 66 HA LEU 66 5.893 9.650 -7.251 473 HB2 LEU 66 1HB LEU 66 2.954 10.283 -7.068 474 HB3 LEU 66 2HB LEU 66 3.633 9.028 -8.102 475 HG LEU 66 HG LEU 66 3.864 9.067 -5.095 476 HD11 LEU 66 1HD1 LEU 66 1.893 7.726 -6.923 477 HD12 LEU 66 2HD1 LEU 66 1.572 8.770 -5.538 478 HD13 LEU 66 3HD1 LEU 66 2.220 7.149 -5.288 479 HD21 LEU 66 1HD2 LEU 66 4.138 6.487 -6.145 480 HD22 LEU 66 2HD2 LEU 66 5.396 7.494 -5.427 481 HD23 LEU 66 3HD2 LEU 66 5.125 7.528 -7.170 482 HA PRO 67 HA PRO 67 6.222 12.018 -10.934 483 HB2 PRO 67 1HB PRO 67 5.962 10.086 -12.824 484 HB3 PRO 67 2HB PRO 67 7.405 10.258 -11.817 485 HG2 PRO 67 1HG PRO 67 5.094 8.379 -11.510 486 HG3 PRO 67 2HG PRO 67 6.828 8.058 -11.327 487 HD2 PRO 67 1HD PRO 67 5.187 8.446 -9.208 488 HD3 PRO 67 2HD PRO 67 6.894 8.935 -9.197 489 H ASN 68 H ASN 68 5.105 12.068 -13.255 490 HA ASN 68 HA ASN 68 3.264 12.753 -14.405 491 HB2 ASN 68 1HB ASN 68 2.377 10.287 -12.985 492 HB3 ASN 68 2HB ASN 68 1.146 11.264 -13.778 493 HD21 ASN 68 1HD2 ASN 68 3.334 8.807 -14.171 494 HD22 ASN 68 2HD2 ASN 68 3.407 8.777 -15.897 495 H ASN 69 H ASN 69 3.838 13.964 -11.774 496 HA ASN 69 HA ASN 69 2.947 15.539 -10.397 497 HB2 ASN 69 1HB ASN 69 0.927 15.476 -12.616 498 HB3 ASN 69 2HB ASN 69 0.636 16.462 -11.186 499 HD21 ASN 69 1HD2 ASN 69 2.792 15.915 -13.891 500 HD22 ASN 69 2HD2 ASN 69 3.493 17.494 -13.897 501 H HIS 70 H HIS 70 2.738 13.096 -9.380 502 HA HIS 70 HA HIS 70 0.128 13.152 -8.044 503 HB2 HIS 70 1HB HIS 70 1.480 10.635 -9.042 504 HB3 HIS 70 2HB HIS 70 -0.021 10.708 -8.121 505 HD1 HIS 70 1HD HIS 70 -1.529 12.875 -9.640 506 HD2 HIS 70 2HD HIS 70 0.630 9.849 -11.495 507 HE1 HIS 70 1HE HIS 70 -2.514 12.662 -11.944 508 HE2 HIS 70 2HE HIS 70 -1.248 10.767 -13.018 509 H ILE 71 H ILE 71 0.124 12.008 -5.966 510 HA ILE 71 HA ILE 71 2.749 11.530 -4.784 511 HB ILE 71 HB ILE 71 0.795 13.572 -3.731 512 HG12 ILE 71 1HG1 ILE 71 3.732 13.793 -4.418 513 HG13 ILE 71 2HG1 ILE 71 2.417 14.316 -5.466 514 HG21 ILE 71 1HG2 ILE 71 3.052 13.529 -2.089 515 HG22 ILE 71 2HG2 ILE 71 1.420 13.007 -1.676 516 HG23 ILE 71 3HG2 ILE 71 2.588 11.840 -2.293 517 HD11 ILE 71 1HD1 ILE 71 3.641 16.047 -3.997 518 HD12 ILE 71 2HD1 ILE 71 1.881 16.104 -4.110 519 HD13 ILE 71 3HD1 ILE 71 2.652 15.392 -2.692 520 H GLY 72 H GLY 72 2.742 9.958 -3.263 521 HA2 GLY 72 1HA GLY 72 0.194 9.150 -2.063 522 HA3 GLY 72 2HA GLY 72 1.070 7.955 -3.009 523 H ILE 73 H ILE 73 0.946 6.814 -0.886 524 HA ILE 73 HA ILE 73 3.161 7.654 0.869 525 HB ILE 73 HB ILE 73 1.015 7.724 2.036 526 HG12 ILE 73 1HG1 ILE 73 2.514 5.299 3.016 527 HG13 ILE 73 2HG1 ILE 73 3.188 6.921 3.129 528 HG21 ILE 73 1HG2 ILE 73 -0.256 5.652 2.425 529 HG22 ILE 73 2HG2 ILE 73 -0.214 6.105 0.721 530 HG23 ILE 73 3HG2 ILE 73 0.819 4.804 1.313 531 HD11 ILE 73 1HD1 ILE 73 0.584 7.048 4.186 532 HD12 ILE 73 2HD1 ILE 73 1.354 5.613 4.866 533 HD13 ILE 73 3HD1 ILE 73 2.120 7.192 5.040 534 H SER 74 H SER 74 4.614 6.097 1.588 535 HA SER 74 HA SER 74 4.466 3.499 0.204 536 HB2 SER 74 1HB SER 74 6.230 5.007 -0.710 537 HB3 SER 74 2HB SER 74 6.985 5.037 0.883 538 HG SER 74 HG SER 74 7.925 3.465 -0.496 539 H PHE 75 H PHE 75 4.141 1.906 1.594 540 HA PHE 75 HA PHE 75 5.733 1.751 4.018 541 HB2 PHE 75 1HB PHE 75 3.938 1.587 5.545 542 HB3 PHE 75 2HB PHE 75 3.555 2.984 4.544 543 HD1 PHE 75 1HD PHE 75 1.739 2.903 2.935 544 HD2 PHE 75 2HD PHE 75 2.632 -0.430 5.427 545 HE1 PHE 75 1HE PHE 75 -0.445 1.913 2.387 546 HE2 PHE 75 2HE PHE 75 0.450 -1.426 4.883 547 HZ PHE 75 HZ PHE 75 -1.093 -0.255 3.361 548 H ILE 76 H ILE 76 5.398 -0.380 5.136 549 HA ILE 76 HA ILE 76 4.833 -2.466 3.133 550 HB ILE 76 HB ILE 76 6.710 -2.641 5.492 551 HG12 ILE 76 1HG1 ILE 76 7.629 -2.737 2.654 552 HG13 ILE 76 2HG1 ILE 76 7.246 -1.167 3.351 553 HG21 ILE 76 1HG2 ILE 76 5.436 -4.669 4.107 554 HG22 ILE 76 2HG2 ILE 76 7.036 -4.589 3.371 555 HG23 ILE 76 3HG2 ILE 76 6.877 -4.830 5.111 556 HD11 ILE 76 1HD1 ILE 76 8.813 -1.862 5.257 557 HD12 ILE 76 2HD1 ILE 76 9.380 -3.104 4.141 558 HD13 ILE 76 3HD1 ILE 76 9.523 -1.401 3.710 559 HA PRO 77 HA PRO 77 1.524 -3.344 6.062 560 HB2 PRO 77 1HB PRO 77 0.213 -5.049 4.404 561 HB3 PRO 77 2HB PRO 77 0.083 -3.291 4.272 562 HG2 PRO 77 1HG PRO 77 1.771 -5.190 2.689 563 HG3 PRO 77 2HG PRO 77 0.816 -3.805 2.126 564 HD2 PRO 77 1HD PRO 77 3.497 -3.678 2.485 565 HD3 PRO 77 2HD PRO 77 2.431 -2.281 2.742 566 H ARG 78 H ARG 78 1.553 -4.847 7.612 567 HA ARG 78 HA ARG 78 3.126 -7.276 7.181 568 HB2 ARG 78 1HB ARG 78 2.044 -6.054 9.726 569 HB3 ARG 78 2HB ARG 78 3.038 -7.502 9.643 570 HG2 ARG 78 1HG ARG 78 3.899 -4.771 8.712 571 HG3 ARG 78 2HG ARG 78 4.304 -5.485 10.274 572 HD2 ARG 78 1HD ARG 78 4.999 -6.708 7.607 573 HD3 ARG 78 2HD ARG 78 6.095 -5.707 8.558 574 HE ARG 78 HE ARG 78 5.438 -8.455 9.014 575 HH11 ARG 78 1HH1 ARG 78 6.445 -5.493 10.540 576 HH12 ARG 78 2HH1 ARG 78 7.209 -6.288 11.876 577 HH21 ARG 78 1HH2 ARG 78 6.439 -9.514 10.768 578 HH22 ARG 78 2HH2 ARG 78 7.206 -8.575 12.005 579 H GLU 79 H GLU 79 -0.124 -6.191 7.766 580 HA GLU 79 HA GLU 79 -1.028 -8.992 7.676 581 HB2 GLU 79 1HB GLU 79 -1.800 -6.797 9.531 582 HB3 GLU 79 2HB GLU 79 -3.068 -7.892 8.998 583 HG2 GLU 79 1HG GLU 79 -0.527 -8.642 10.423 584 HG3 GLU 79 2HG GLU 79 -2.157 -8.649 11.091 585 H VAL 80 H VAL 80 -3.584 -8.888 7.259 586 HA VAL 80 HA VAL 80 -4.001 -7.054 4.988 587 HB VAL 80 HB VAL 80 -5.441 -8.910 4.015 588 HG11 VAL 80 1HG1 VAL 80 -3.183 -10.257 3.459 589 HG12 VAL 80 2HG1 VAL 80 -3.582 -8.692 2.745 590 HG13 VAL 80 3HG1 VAL 80 -2.494 -8.779 4.130 591 HG21 VAL 80 1HG2 VAL 80 -3.820 -10.681 5.828 592 HG22 VAL 80 2HG2 VAL 80 -5.478 -10.200 6.186 593 HG23 VAL 80 3HG2 VAL 80 -5.128 -11.144 4.739 594 H GLY 81 H GLY 81 -6.094 -6.274 4.655 595 HA2 GLY 81 1HA GLY 81 -8.506 -6.803 5.493 596 HA3 GLY 81 2HA GLY 81 -7.790 -6.405 7.047 597 H GLU 82 H GLU 82 -8.708 -4.518 7.590 598 HA GLU 82 HA GLU 82 -8.808 -2.383 5.575 599 HB2 GLU 82 1HB GLU 82 -10.950 -2.900 6.610 600 HB3 GLU 82 2HB GLU 82 -10.260 -2.666 8.211 601 HG2 GLU 82 1HG GLU 82 -9.716 -0.280 7.323 602 HG3 GLU 82 2HG GLU 82 -10.974 -0.644 6.143 603 H HIS 83 H HIS 83 -6.944 -1.277 5.619 604 HA HIS 83 HA HIS 83 -5.708 -0.640 8.193 605 HB2 HIS 83 1HB HIS 83 -4.748 -0.629 5.352 606 HB3 HIS 83 2HB HIS 83 -3.903 0.328 6.565 607 HD1 HIS 83 1HD HIS 83 -5.183 -3.264 6.439 608 HD2 HIS 83 2HD HIS 83 -1.821 -1.079 7.530 609 HE1 HIS 83 1HE HIS 83 -3.520 -4.958 7.269 610 HE2 HIS 83 2HE HIS 83 -1.527 -3.605 8.003 611 H LEU 84 H LEU 84 -5.461 1.416 8.954 612 HA LEU 84 HA LEU 84 -6.865 3.528 7.456 613 HB2 LEU 84 1HB LEU 84 -6.676 2.884 10.357 614 HB3 LEU 84 2HB LEU 84 -6.876 4.567 9.874 615 HG LEU 84 HG LEU 84 -8.765 2.297 9.249 616 HD11 LEU 84 1HD1 LEU 84 -8.872 2.936 11.574 617 HD12 LEU 84 2HD1 LEU 84 -10.300 3.535 10.730 618 HD13 LEU 84 3HD1 LEU 84 -8.986 4.640 11.134 619 HD21 LEU 84 1HD2 LEU 84 -8.454 4.979 8.135 620 HD22 LEU 84 2HD2 LEU 84 -10.075 4.648 8.746 621 HD23 LEU 84 3HD2 LEU 84 -9.361 3.593 7.526 622 H VAL 85 H VAL 85 -5.748 5.260 6.831 623 HA VAL 85 HA VAL 85 -3.008 5.580 7.857 624 HB VAL 85 HB VAL 85 -4.124 6.755 5.313 625 HG11 VAL 85 1HG1 VAL 85 -1.268 6.275 6.140 626 HG12 VAL 85 2HG1 VAL 85 -1.841 7.156 4.724 627 HG13 VAL 85 3HG1 VAL 85 -2.108 7.811 6.340 628 HG21 VAL 85 1HG2 VAL 85 -2.278 4.651 4.808 629 HG22 VAL 85 2HG2 VAL 85 -3.548 4.036 5.865 630 HG23 VAL 85 3HG2 VAL 85 -3.968 4.775 4.320 631 H SER 86 H SER 86 -2.842 7.097 9.365 632 HA SER 86 HA SER 86 -4.741 9.271 9.527 633 HB2 SER 86 1HB SER 86 -2.278 9.035 11.236 634 HB3 SER 86 2HB SER 86 -3.851 9.715 11.649 635 HG SER 86 HG SER 86 -4.564 7.785 12.137 636 H ILE 87 H ILE 87 -4.479 10.823 8.035 637 HA ILE 87 HA ILE 87 -1.769 11.881 7.587 638 HB ILE 87 HB ILE 87 -4.185 12.306 5.833 639 HG12 ILE 87 1HG1 ILE 87 -3.667 9.941 5.826 640 HG13 ILE 87 2HG1 ILE 87 -3.115 10.649 4.312 641 HG21 ILE 87 1HG2 ILE 87 -2.632 14.026 5.445 642 HG22 ILE 87 2HG2 ILE 87 -1.261 12.925 5.554 643 HG23 ILE 87 3HG2 ILE 87 -2.342 12.850 4.163 644 HD11 ILE 87 1HD1 ILE 87 -0.831 10.822 5.450 645 HD12 ILE 87 2HD1 ILE 87 -1.496 9.705 6.642 646 HD13 ILE 87 3HD1 ILE 87 -1.392 9.228 4.948 647 H LYS 88 H LYS 88 -1.292 13.842 8.321 648 HA LYS 88 HA LYS 88 -3.418 15.818 8.676 649 HB2 LYS 88 1HB LYS 88 -1.410 15.562 10.869 650 HB3 LYS 88 2HB LYS 88 -3.047 16.202 10.921 651 HG2 LYS 88 1HG LYS 88 -4.003 14.082 11.052 652 HG3 LYS 88 2HG LYS 88 -2.539 13.285 10.470 653 HD2 LYS 88 1HD LYS 88 -1.406 14.052 12.579 654 HD3 LYS 88 2HD LYS 88 -2.989 14.581 13.156 655 HE2 LYS 88 1HE LYS 88 -2.944 12.487 14.058 656 HE3 LYS 88 2HE LYS 88 -3.651 12.107 12.489 657 HZ1 LYS 88 1HZ LYS 88 -0.770 11.876 13.173 658 HZ2 LYS 88 2HZ LYS 88 -1.469 11.482 11.684 659 HZ3 LYS 88 3HZ LYS 88 -1.859 10.584 13.065 660 H LYS 89 H LYS 89 -2.412 17.994 9.326 661 HA LYS 89 HA LYS 89 0.183 18.329 7.970 662 HB2 LYS 89 1HB LYS 89 -1.498 19.151 6.466 663 HB3 LYS 89 2HB LYS 89 -2.289 20.051 7.753 664 HG2 LYS 89 1HG LYS 89 -0.381 21.542 7.916 665 HG3 LYS 89 2HG LYS 89 0.465 20.617 6.674 666 HD2 LYS 89 1HD LYS 89 -2.240 21.686 6.042 667 HD3 LYS 89 2HD LYS 89 -0.883 22.815 6.089 668 HE2 LYS 89 1HE LYS 89 0.246 20.925 4.610 669 HE3 LYS 89 2HE LYS 89 -1.437 20.573 4.220 670 HZ1 LYS 89 1HZ LYS 89 -0.885 23.366 4.090 671 HZ2 LYS 89 2HZ LYS 89 -1.545 22.348 2.913 672 HZ3 LYS 89 3HZ LYS 89 0.134 22.492 3.062 673 H ASN 90 H ASN 90 1.561 18.742 9.587 674 HA ASN 90 HA ASN 90 2.574 19.798 11.328 675 HB2 ASN 90 1HB ASN 90 0.625 21.903 10.432 676 HB3 ASN 90 2HB ASN 90 1.634 22.163 11.853 677 HD21 ASN 90 1HD2 ASN 90 1.447 22.337 8.502 678 HD22 ASN 90 2HD2 ASN 90 3.110 22.668 8.173 679 H GLY 91 H GLY 91 0.197 18.053 11.720 680 HA2 GLY 91 1HA GLY 91 -0.520 17.214 13.822 681 HA3 GLY 91 2HA GLY 91 -0.296 18.817 14.508 682 H ASN 92 H ASN 92 -1.895 18.737 11.490 683 HA ASN 92 HA ASN 92 -4.524 18.847 12.806 684 HB2 ASN 92 1HB ASN 92 -3.339 20.815 10.854 685 HB3 ASN 92 2HB ASN 92 -5.079 20.671 11.087 686 HD21 ASN 92 1HD2 ASN 92 -2.206 22.032 12.212 687 HD22 ASN 92 2HD2 ASN 92 -2.820 22.740 13.665 688 H HIS 93 H HIS 93 -5.403 16.993 12.080 689 HA HIS 93 HA HIS 93 -4.981 15.501 9.898 690 HB2 HIS 93 1HB HIS 93 -7.460 16.123 11.421 691 HB3 HIS 93 2HB HIS 93 -7.643 15.252 9.900 692 HD1 HIS 93 1HD HIS 93 -7.014 12.804 9.876 693 HD2 HIS 93 2HD HIS 93 -5.967 14.713 13.415 694 HE1 HIS 93 1HE HIS 93 -6.317 10.970 11.449 695 HE2 HIS 93 2HE HIS 93 -5.770 12.142 13.610 696 H VAL 94 H VAL 94 -5.787 15.333 7.767 697 HA VAL 94 HA VAL 94 -6.648 17.908 6.615 698 HB VAL 94 HB VAL 94 -5.538 17.281 4.545 699 HG11 VAL 94 1HG1 VAL 94 -3.531 16.815 6.726 700 HG12 VAL 94 2HG1 VAL 94 -3.337 17.700 5.211 701 HG13 VAL 94 3HG1 VAL 94 -4.314 18.381 6.513 702 HG21 VAL 94 1HG2 VAL 94 -4.467 14.851 5.961 703 HG22 VAL 94 2HG2 VAL 94 -5.870 14.805 4.893 704 HG23 VAL 94 3HG2 VAL 94 -4.295 15.281 4.258 705 H ALA 95 H ALA 95 -7.667 17.501 4.338 706 HA ALA 95 HA ALA 95 -10.080 16.087 4.752 707 HB1 ALA 95 1HB ALA 95 -8.921 17.185 2.192 708 HB2 ALA 95 2HB ALA 95 -10.592 16.668 2.430 709 HB3 ALA 95 3HB ALA 95 -9.963 18.053 3.322 710 H ASN 96 H ASN 96 -10.844 14.177 3.877 711 HA ASN 96 HA ASN 96 -10.797 12.076 2.992 712 HB2 ASN 96 1HB ASN 96 -8.175 12.779 1.673 713 HB3 ASN 96 2HB ASN 96 -9.348 11.564 1.173 714 HD21 ASN 96 1HD2 ASN 96 -8.519 14.917 1.181 715 HD22 ASN 96 2HD2 ASN 96 -9.741 15.439 0.076 716 H SER 97 H SER 97 -9.456 12.861 5.510 717 HA SER 97 HA SER 97 -7.783 10.462 5.796 718 HB2 SER 97 1HB SER 97 -6.187 12.239 5.722 719 HB3 SER 97 2HB SER 97 -7.159 13.243 6.799 720 HG SER 97 HG SER 97 -5.952 12.397 8.297 721 HA PRO 98 HA PRO 98 -6.661 9.512 7.496 722 HB2 PRO 98 1HB PRO 98 -7.318 7.034 8.387 723 HB3 PRO 98 2HB PRO 98 -6.699 8.303 9.449 724 HG2 PRO 98 1HG PRO 98 -9.524 7.419 9.002 725 HG3 PRO 98 2HG PRO 98 -8.704 7.821 10.522 726 HD2 PRO 98 1HD PRO 98 -10.360 9.551 9.259 727 HD3 PRO 98 2HD PRO 98 -8.960 10.089 10.208 728 H VAL 99 H VAL 99 -6.126 7.974 5.889 729 HA VAL 99 HA VAL 99 -8.191 7.623 3.889 730 HB VAL 99 HB VAL 99 -5.330 6.685 3.723 731 HG11 VAL 99 1HG1 VAL 99 -5.922 7.294 1.235 732 HG12 VAL 99 2HG1 VAL 99 -6.389 5.738 1.924 733 HG13 VAL 99 3HG1 VAL 99 -7.574 7.038 1.797 734 HG21 VAL 99 1HG2 VAL 99 -6.007 9.201 2.392 735 HG22 VAL 99 2HG2 VAL 99 -6.049 9.287 4.153 736 HG23 VAL 99 3HG2 VAL 99 -4.579 8.762 3.331 737 H SER 100 H SER 100 -9.129 5.744 3.279 738 HA SER 100 HA SER 100 -8.593 3.404 4.960 739 HB2 SER 100 1HB SER 100 -10.784 2.628 4.372 740 HB3 SER 100 2HB SER 100 -10.930 4.342 4.765 741 HG SER 100 HG SER 100 -11.835 3.289 2.649 742 H ILE 101 H ILE 101 -7.449 1.772 4.182 743 HA ILE 101 HA ILE 101 -7.428 1.323 1.269 744 HB ILE 101 HB ILE 101 -5.086 0.976 3.144 745 HG12 ILE 101 1HG1 ILE 101 -5.431 2.943 0.875 746 HG13 ILE 101 2HG1 ILE 101 -5.695 3.346 2.568 747 HG21 ILE 101 1HG2 ILE 101 -5.657 -0.022 0.469 748 HG22 ILE 101 2HG2 ILE 101 -4.144 0.878 0.564 749 HG23 ILE 101 3HG2 ILE 101 -4.412 -0.510 1.619 750 HD11 ILE 101 1HD1 ILE 101 -3.450 3.203 3.082 751 HD12 ILE 101 2HD1 ILE 101 -3.089 2.192 1.682 752 HD13 ILE 101 3HD1 ILE 101 -3.434 3.908 1.466 753 H MET 102 H MET 102 -7.484 -0.785 0.563 754 HA MET 102 HA MET 102 -8.116 -2.779 2.625 755 HB2 MET 102 1HB MET 102 -9.839 -2.312 0.891 756 HB3 MET 102 2HB MET 102 -8.710 -2.869 -0.338 757 HG2 MET 102 1HG MET 102 -10.010 -4.730 0.002 758 HG3 MET 102 2HG MET 102 -8.640 -5.041 1.064 759 HE1 MET 102 1HE MET 102 -9.053 -6.332 2.589 760 HE2 MET 102 2HE MET 102 -9.616 -5.693 4.134 761 HE3 MET 102 3HE MET 102 -10.651 -6.770 3.195 762 H VAL 103 H VAL 103 -6.648 -4.272 3.078 763 HA VAL 103 HA VAL 103 -4.597 -4.890 1.052 764 HB VAL 103 HB VAL 103 -4.368 -5.158 4.054 765 HG11 VAL 103 1HG1 VAL 103 -2.192 -5.373 1.985 766 HG12 VAL 103 2HG1 VAL 103 -2.094 -5.746 3.707 767 HG13 VAL 103 3HG1 VAL 103 -3.053 -6.768 2.635 768 HG21 VAL 103 1HG2 VAL 103 -4.013 -2.954 4.014 769 HG22 VAL 103 2HG2 VAL 103 -2.492 -3.325 3.201 770 HG23 VAL 103 3HG2 VAL 103 -3.922 -2.917 2.252 771 H VAL 104 H VAL 104 -4.324 -6.950 0.409 772 HA VAL 104 HA VAL 104 -5.382 -9.152 1.979 773 HB VAL 104 HB VAL 104 -6.752 -10.074 0.214 774 HG11 VAL 104 1HG1 VAL 104 -7.816 -8.541 1.797 775 HG12 VAL 104 2HG1 VAL 104 -7.469 -7.187 0.720 776 HG13 VAL 104 3HG1 VAL 104 -8.579 -8.459 0.210 777 HG21 VAL 104 1HG2 VAL 104 -7.183 -8.913 -1.861 778 HG22 VAL 104 2HG2 VAL 104 -6.144 -7.576 -1.366 779 HG23 VAL 104 3HG2 VAL 104 -5.446 -9.166 -1.680 780 H GLN 105 H GLN 105 -4.545 -11.181 1.383 781 HA GLN 105 HA GLN 105 -1.997 -11.033 0.035 782 HB2 GLN 105 1HB GLN 105 -3.438 -13.086 1.655 783 HB3 GLN 105 2HB GLN 105 -2.129 -13.610 0.603 784 HG2 GLN 105 1HG GLN 105 -0.822 -11.673 1.782 785 HG3 GLN 105 2HG GLN 105 -2.043 -11.898 3.034 786 HE21 GLN 105 1HE2 GLN 105 -1.844 -13.552 4.415 787 HE22 GLN 105 2HE2 GLN 105 -0.620 -14.767 4.330 788 H SER 106 H SER 106 -1.430 -11.972 -1.882 789 HA SER 106 HA SER 106 -3.633 -12.670 -3.653 790 HB2 SER 106 1HB SER 106 -1.868 -12.589 -5.430 791 HB3 SER 106 2HB SER 106 -2.038 -11.082 -4.530 792 HG SER 106 HG SER 106 0.122 -11.504 -4.621 793 H GLU 107 H GLU 107 -4.238 -14.733 -3.106 794 HA GLU 107 HA GLU 107 -2.176 -16.821 -3.357 795 HB2 GLU 107 1HB GLU 107 -4.823 -16.901 -1.899 796 HB3 GLU 107 2HB GLU 107 -3.718 -18.260 -2.052 797 HG2 GLU 107 1HG GLU 107 -2.102 -17.242 -0.692 798 HG3 GLU 107 2HG GLU 107 -2.877 -15.663 -0.812 799 H ILE 108 H ILE 108 -3.115 -15.827 -5.700 800 HA ILE 108 HA ILE 108 -4.800 -18.031 -6.680 801 HB ILE 108 HB ILE 108 -4.997 -15.148 -7.561 802 HG12 ILE 108 1HG1 ILE 108 -7.192 -16.789 -6.324 803 HG13 ILE 108 2HG1 ILE 108 -6.042 -15.916 -5.317 804 HG21 ILE 108 1HG2 ILE 108 -5.646 -16.073 -9.496 805 HG22 ILE 108 2HG2 ILE 108 -5.860 -17.666 -8.773 806 HG23 ILE 108 3HG2 ILE 108 -7.136 -16.456 -8.635 807 HD11 ILE 108 1HD1 ILE 108 -6.770 -13.941 -6.962 808 HD12 ILE 108 2HD1 ILE 108 -8.244 -14.909 -6.991 809 HD13 ILE 108 3HD1 ILE 108 -7.610 -14.312 -5.458 810 H GLY 109 H GLY 109 -3.845 -19.159 -8.237 811 HA2 GLY 109 1HA GLY 109 -2.025 -17.787 -10.087 812 HA3 GLY 109 2HA GLY 109 -1.427 -19.182 -9.203 813 H ASP 110 H ASP 110 -1.110 -19.745 -11.604 814 HA ASP 110 HA ASP 110 -3.464 -21.288 -12.465 815 HB2 ASP 110 1HB ASP 110 -3.053 -19.237 -13.881 816 HB3 ASP 110 2HB ASP 110 -1.522 -19.963 -14.363 817 H SER 111 H SER 111 -3.085 -23.390 -12.709 818 HA SER 111 HA SER 111 -0.354 -24.362 -12.484 819 HB2 SER 111 1HB SER 111 -2.138 -25.377 -11.104 820 HB3 SER 111 2HB SER 111 -2.962 -25.900 -12.572 821 HG SER 111 HG SER 111 -1.585 -27.484 -12.782 822 H GLY 112 H GLY 112 0.781 -24.448 -14.316 823 HA2 GLY 112 1HA GLY 112 -0.543 -25.607 -16.692 824 HA3 GLY 112 2HA GLY 112 0.588 -24.267 -16.810 825 HA PRO 113 HA PRO 113 2.649 -28.627 -16.743 826 HB2 PRO 113 1HB PRO 113 2.570 -29.303 -19.371 827 HB3 PRO 113 2HB PRO 113 1.323 -29.789 -18.216 828 HG2 PRO 113 1HG PRO 113 1.306 -27.534 -20.184 829 HG3 PRO 113 2HG PRO 113 0.013 -28.679 -19.785 830 HD2 PRO 113 1HD PRO 113 0.091 -26.162 -18.787 831 HD3 PRO 113 2HD PRO 113 -0.588 -27.529 -17.879 832 H SER 114 H SER 114 4.812 -28.624 -16.958 833 HA SER 114 HA SER 114 6.223 -27.484 -19.126 834 HB2 SER 114 1HB SER 114 7.267 -25.575 -18.015 835 HB3 SER 114 2HB SER 114 5.515 -25.374 -18.036 836 HG SER 114 HG SER 114 6.605 -24.936 -15.981 837 H SER 115 H SER 115 7.678 -29.070 -19.232 838 HA SER 115 HA SER 115 9.160 -29.756 -16.778 839 HB2 SER 115 1HB SER 115 7.691 -31.586 -17.697 840 HB3 SER 115 2HB SER 115 8.701 -31.587 -19.142 841 HG SER 115 HG SER 115 10.158 -32.670 -18.090 842 H GLY 116 H GLY 116 11.374 -29.877 -16.876 843 HA2 GLY 116 1HA GLY 116 13.499 -29.547 -17.686 844 HA3 GLY 116 2HA GLY 116 12.867 -29.908 -19.286 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.824 -5.721 -17.173 2 HA2 GLY 1 1HA GLY 1 3.346 -7.817 -16.410 3 HA3 GLY 1 2HA GLY 1 1.967 -7.947 -15.329 4 H SER 2 H SER 2 0.571 -9.416 -16.006 5 HA SER 2 HA SER 2 0.441 -10.158 -18.799 6 HB2 SER 2 1HB SER 2 -0.864 -11.219 -16.296 7 HB3 SER 2 2HB SER 2 -1.315 -11.800 -17.899 8 HG SER 2 HG SER 2 1.400 -11.725 -17.265 9 H SER 3 H SER 3 -1.114 -9.641 -20.222 10 HA SER 3 HA SER 3 -3.254 -7.860 -19.281 11 HB2 SER 3 1HB SER 3 -3.381 -7.054 -21.595 12 HB3 SER 3 2HB SER 3 -1.736 -6.911 -20.976 13 HG SER 3 HG SER 3 -2.778 -8.802 -22.798 14 H GLY 4 H GLY 4 -4.638 -9.557 -18.594 15 HA2 GLY 4 1HA GLY 4 -6.491 -10.884 -18.912 16 HA3 GLY 4 2HA GLY 4 -6.426 -10.464 -20.617 17 H SER 5 H SER 5 -6.978 -13.043 -19.313 18 HA SER 5 HA SER 5 -4.684 -14.630 -20.235 19 HB2 SER 5 1HB SER 5 -7.045 -15.485 -18.543 20 HB3 SER 5 2HB SER 5 -5.642 -16.477 -18.942 21 HG SER 5 HG SER 5 -5.594 -15.399 -16.841 22 H SER 6 H SER 6 -8.249 -14.769 -20.293 23 HA SER 6 HA SER 6 -8.362 -15.231 -23.091 24 HB2 SER 6 1HB SER 6 -8.391 -17.591 -21.263 25 HB3 SER 6 2HB SER 6 -9.481 -17.600 -22.649 26 HG SER 6 HG SER 6 -7.220 -18.461 -22.888 27 H GLY 7 H GLY 7 -10.647 -15.913 -23.754 28 HA2 GLY 7 1HA GLY 7 -12.847 -15.834 -22.076 29 HA3 GLY 7 2HA GLY 7 -12.486 -14.160 -22.470 30 H ILE 8 H ILE 8 -14.794 -14.552 -23.315 31 HA ILE 8 HA ILE 8 -15.260 -16.048 -25.636 32 HB ILE 8 HB ILE 8 -17.148 -14.386 -26.025 33 HG12 ILE 8 1HG1 ILE 8 -16.526 -13.402 -23.258 34 HG13 ILE 8 2HG1 ILE 8 -15.816 -12.606 -24.659 35 HG21 ILE 8 1HG2 ILE 8 -18.319 -15.135 -23.865 36 HG22 ILE 8 2HG2 ILE 8 -17.733 -16.378 -24.969 37 HG23 ILE 8 3HG2 ILE 8 -16.816 -15.988 -23.515 38 HD11 ILE 8 1HD1 ILE 8 -18.304 -12.549 -25.482 39 HD12 ILE 8 2HD1 ILE 8 -18.644 -12.701 -23.757 40 HD13 ILE 8 3HD1 ILE 8 -17.688 -11.344 -24.352 41 HA PRO 9 HA PRO 9 -13.247 -13.800 -28.835 42 HB2 PRO 9 1HB PRO 9 -14.831 -14.468 -30.937 43 HB3 PRO 9 2HB PRO 9 -13.698 -15.601 -30.190 44 HG2 PRO 9 1HG PRO 9 -16.652 -15.332 -29.784 45 HG3 PRO 9 2HG PRO 9 -15.677 -16.802 -29.968 46 HD2 PRO 9 1HD PRO 9 -16.523 -15.907 -27.558 47 HD3 PRO 9 2HD PRO 9 -14.985 -16.770 -27.771 48 H GLY 10 H GLY 10 -16.509 -13.185 -27.932 49 HA2 GLY 10 1HA GLY 10 -17.188 -11.174 -29.785 50 HA3 GLY 10 2HA GLY 10 -17.878 -11.360 -28.179 51 H SER 11 H SER 11 -16.557 -10.507 -26.358 52 HA SER 11 HA SER 11 -14.667 -8.411 -27.063 53 HB2 SER 11 1HB SER 11 -17.421 -7.906 -26.028 54 HB3 SER 11 2HB SER 11 -16.110 -6.891 -25.427 55 HG SER 11 HG SER 11 -17.205 -7.069 -27.981 56 HA PRO 12 HA PRO 12 -13.001 -10.181 -23.328 57 HB2 PRO 12 1HB PRO 12 -10.727 -8.697 -23.317 58 HB3 PRO 12 2HB PRO 12 -10.960 -10.090 -24.379 59 HG2 PRO 12 1HG PRO 12 -11.257 -7.174 -24.987 60 HG3 PRO 12 2HG PRO 12 -10.497 -8.448 -25.959 61 HD2 PRO 12 1HD PRO 12 -12.997 -7.532 -26.454 62 HD3 PRO 12 2HD PRO 12 -12.517 -9.214 -26.762 63 H PHE 13 H PHE 13 -11.561 -8.875 -21.499 64 HA PHE 13 HA PHE 13 -13.242 -7.682 -19.784 65 HB2 PHE 13 1HB PHE 13 -10.675 -8.166 -19.601 66 HB3 PHE 13 2HB PHE 13 -10.512 -6.469 -20.043 67 HD1 PHE 13 1HD PHE 13 -12.629 -8.492 -17.722 68 HD2 PHE 13 2HD PHE 13 -10.197 -5.044 -18.285 69 HE1 PHE 13 1HE PHE 13 -12.999 -7.852 -15.375 70 HE2 PHE 13 2HE PHE 13 -10.562 -4.400 -15.939 71 HZ PHE 13 HZ PHE 13 -11.964 -5.803 -14.481 72 H THR 14 H THR 14 -14.093 -5.682 -19.350 73 HA THR 14 HA THR 14 -13.707 -3.624 -21.427 74 HB THR 14 HB THR 14 -15.938 -4.562 -21.620 75 HG1 THR 14 1HG THR 14 -16.018 -2.419 -22.040 76 HG21 THR 14 1HG2 THR 14 -17.541 -4.177 -19.677 77 HG22 THR 14 2HG2 THR 14 -16.104 -3.950 -18.678 78 HG23 THR 14 3HG2 THR 14 -16.378 -5.490 -19.495 79 H ALA 15 H ALA 15 -12.918 -4.310 -18.377 80 HA ALA 15 HA ALA 15 -13.412 -1.604 -17.341 81 HB1 ALA 15 1HB ALA 15 -13.452 -4.199 -16.136 82 HB2 ALA 15 2HB ALA 15 -12.245 -3.193 -15.335 83 HB3 ALA 15 3HB ALA 15 -13.917 -2.644 -15.447 84 H LYS 16 H LYS 16 -11.080 -3.322 -18.927 85 HA LYS 16 HA LYS 16 -8.668 -3.041 -17.792 86 HB2 LYS 16 1HB LYS 16 -9.606 -2.608 -20.584 87 HB3 LYS 16 2HB LYS 16 -7.959 -2.130 -20.196 88 HG2 LYS 16 1HG LYS 16 -7.834 -4.534 -19.160 89 HG3 LYS 16 2HG LYS 16 -9.185 -4.840 -20.253 90 HD2 LYS 16 1HD LYS 16 -7.254 -5.420 -21.470 91 HD3 LYS 16 2HD LYS 16 -7.732 -3.835 -22.083 92 HE2 LYS 16 1HE LYS 16 -5.362 -3.825 -21.765 93 HE3 LYS 16 2HE LYS 16 -6.085 -2.811 -20.518 94 HZ1 LYS 16 1HZ LYS 16 -6.011 -5.185 -19.292 95 HZ2 LYS 16 2HZ LYS 16 -4.790 -4.021 -19.166 96 HZ3 LYS 16 3HZ LYS 16 -4.628 -5.299 -20.261 97 H ILE 17 H ILE 17 -10.601 -0.391 -19.089 98 HA ILE 17 HA ILE 17 -8.573 1.536 -18.216 99 HB ILE 17 HB ILE 17 -9.918 3.217 -19.414 100 HG12 ILE 17 1HG1 ILE 17 -11.609 0.890 -20.344 101 HG13 ILE 17 2HG1 ILE 17 -12.106 2.020 -19.089 102 HG21 ILE 17 1HG2 ILE 17 -8.159 1.582 -20.469 103 HG22 ILE 17 2HG2 ILE 17 -9.560 0.991 -21.359 104 HG23 ILE 17 3HG2 ILE 17 -9.087 2.685 -21.485 105 HD11 ILE 17 1HD1 ILE 17 -11.312 3.004 -21.796 106 HD12 ILE 17 2HD1 ILE 17 -12.934 2.380 -21.495 107 HD13 ILE 17 3HD1 ILE 17 -12.340 3.770 -20.585 108 H THR 18 H THR 18 -11.656 0.264 -17.363 109 HA THR 18 HA THR 18 -12.482 2.484 -15.737 110 HB THR 18 HB THR 18 -13.514 -0.357 -15.676 111 HG1 THR 18 1HG THR 18 -15.201 0.689 -17.041 112 HG21 THR 18 1HG2 THR 18 -14.205 2.088 -14.253 113 HG22 THR 18 2HG2 THR 18 -14.680 0.421 -13.929 114 HG23 THR 18 3HG2 THR 18 -15.579 1.383 -15.102 115 H ASP 19 H ASP 19 -11.677 2.969 -13.814 116 HA ASP 19 HA ASP 19 -10.077 1.031 -12.362 117 HB2 ASP 19 1HB ASP 19 -10.562 3.976 -12.151 118 HB3 ASP 19 2HB ASP 19 -9.933 3.113 -10.751 119 H ASP 20 H ASP 20 -10.998 -0.338 -11.000 120 HA ASP 20 HA ASP 20 -13.526 -0.585 -10.170 121 HB2 ASP 20 1HB ASP 20 -11.456 -0.962 -8.045 122 HB3 ASP 20 2HB ASP 20 -12.798 -2.008 -8.499 123 H SER 21 H SER 21 -14.698 1.251 -9.788 124 HA SER 21 HA SER 21 -13.976 3.456 -8.285 125 HB2 SER 21 1HB SER 21 -16.742 2.260 -8.588 126 HB3 SER 21 2HB SER 21 -16.391 3.905 -8.057 127 HG SER 21 HG SER 21 -16.246 4.436 -10.073 128 H ARG 22 H ARG 22 -14.832 0.295 -7.229 129 HA ARG 22 HA ARG 22 -15.767 0.831 -4.643 130 HB2 ARG 22 1HB ARG 22 -14.592 -1.532 -4.250 131 HB3 ARG 22 2HB ARG 22 -16.100 -1.368 -5.140 132 HG2 ARG 22 1HG ARG 22 -13.574 -1.174 -6.678 133 HG3 ARG 22 2HG ARG 22 -14.050 -2.760 -6.069 134 HD2 ARG 22 1HD ARG 22 -16.108 -1.115 -7.441 135 HD3 ARG 22 2HD ARG 22 -14.852 -1.857 -8.430 136 HE ARG 22 HE ARG 22 -16.063 -3.709 -6.619 137 HH11 ARG 22 1HH1 ARG 22 -16.421 -2.126 -9.698 138 HH12 ARG 22 2HH1 ARG 22 -17.419 -3.372 -10.371 139 HH21 ARG 22 1HH2 ARG 22 -17.377 -5.356 -7.492 140 HH22 ARG 22 2HH2 ARG 22 -17.963 -5.209 -9.115 141 H ARG 23 H ARG 23 -14.349 -0.195 -2.716 142 HA ARG 23 HA ARG 23 -11.799 1.283 -2.737 143 HB2 ARG 23 1HB ARG 23 -13.934 1.018 -0.667 144 HB3 ARG 23 2HB ARG 23 -12.267 1.189 -0.134 145 HG2 ARG 23 1HG ARG 23 -13.610 3.102 -2.026 146 HG3 ARG 23 2HG ARG 23 -13.567 3.318 -0.275 147 HD2 ARG 23 1HD ARG 23 -11.079 3.218 -0.396 148 HD3 ARG 23 2HD ARG 23 -11.213 3.191 -2.154 149 HE ARG 23 HE ARG 23 -12.633 5.401 -1.179 150 HH11 ARG 23 1HH1 ARG 23 -9.359 4.252 -1.460 151 HH12 ARG 23 2HH1 ARG 23 -8.671 5.840 -1.546 152 HH21 ARG 23 1HH2 ARG 23 -11.740 7.497 -1.291 153 HH22 ARG 23 2HH2 ARG 23 -10.026 7.684 -1.449 154 H CYS 24 H CYS 24 -11.973 -1.374 -3.632 155 HA CYS 24 HA CYS 24 -10.637 -2.830 -1.445 156 HB2 CYS 24 1HB CYS 24 -12.168 -3.968 -3.793 157 HB3 CYS 24 2HB CYS 24 -11.351 -4.912 -2.554 158 HG CYS 24 HG CYS 24 -14.415 -3.966 -2.576 159 H SER 25 H SER 25 -8.567 -2.102 -1.912 160 HA SER 25 HA SER 25 -7.506 -2.606 -4.591 161 HB2 SER 25 1HB SER 25 -7.044 -0.415 -3.540 162 HB3 SER 25 2HB SER 25 -6.207 -1.236 -2.222 163 HG SER 25 HG SER 25 -5.058 -0.387 -4.303 164 H GLN 26 H GLN 26 -5.547 -3.787 -4.898 165 HA GLN 26 HA GLN 26 -5.180 -5.898 -2.884 166 HB2 GLN 26 1HB GLN 26 -5.904 -6.407 -5.317 167 HB3 GLN 26 2HB GLN 26 -4.228 -6.069 -5.728 168 HG2 GLN 26 1HG GLN 26 -5.073 -8.118 -3.697 169 HG3 GLN 26 2HG GLN 26 -4.762 -8.478 -5.395 170 HE21 GLN 26 1HE2 GLN 26 -3.446 -9.142 -2.713 171 HE22 GLN 26 2HE2 GLN 26 -1.770 -8.844 -3.003 172 H VAL 27 H VAL 27 -3.265 -6.177 -1.908 173 HA VAL 27 HA VAL 27 -0.889 -4.872 -3.025 174 HB VAL 27 HB VAL 27 -1.652 -4.638 -0.113 175 HG11 VAL 27 1HG1 VAL 27 0.208 -2.998 -0.070 176 HG12 VAL 27 2HG1 VAL 27 0.735 -4.641 -0.444 177 HG13 VAL 27 3HG1 VAL 27 0.594 -3.444 -1.732 178 HG21 VAL 27 1HG2 VAL 27 -3.131 -3.141 -0.977 179 HG22 VAL 27 2HG2 VAL 27 -1.702 -2.109 -0.933 180 HG23 VAL 27 3HG2 VAL 27 -2.185 -2.882 -2.443 181 H LYS 28 H LYS 28 1.122 -5.708 -2.206 182 HA LYS 28 HA LYS 28 0.913 -8.534 -1.528 183 HB2 LYS 28 1HB LYS 28 3.341 -6.884 -2.256 184 HB3 LYS 28 2HB LYS 28 3.298 -8.634 -2.081 185 HG2 LYS 28 1HG LYS 28 1.695 -7.091 -4.109 186 HG3 LYS 28 2HG LYS 28 3.256 -7.853 -4.431 187 HD2 LYS 28 1HD LYS 28 0.889 -9.376 -3.365 188 HD3 LYS 28 2HD LYS 28 1.197 -9.177 -5.092 189 HE2 LYS 28 1HE LYS 28 3.120 -10.396 -3.112 190 HE3 LYS 28 2HE LYS 28 2.070 -11.308 -4.196 191 HZ1 LYS 28 1HZ LYS 28 3.192 -10.259 -6.077 192 HZ2 LYS 28 2HZ LYS 28 4.280 -11.123 -5.113 193 HZ3 LYS 28 3HZ LYS 28 4.224 -9.436 -5.019 194 H LEU 29 H LEU 29 1.081 -9.221 0.493 195 HA LEU 29 HA LEU 29 1.671 -7.528 2.667 196 HB2 LEU 29 1HB LEU 29 0.359 -9.778 2.537 197 HB3 LEU 29 2HB LEU 29 1.937 -10.500 2.848 198 HG LEU 29 HG LEU 29 2.021 -8.999 4.915 199 HD11 LEU 29 1HD1 LEU 29 -0.270 -7.934 3.828 200 HD12 LEU 29 2HD1 LEU 29 0.285 -7.724 5.490 201 HD13 LEU 29 3HD1 LEU 29 -0.882 -8.990 5.103 202 HD21 LEU 29 1HD2 LEU 29 0.458 -10.576 6.160 203 HD22 LEU 29 2HD2 LEU 29 1.773 -11.312 5.242 204 HD23 LEU 29 3HD2 LEU 29 0.133 -11.314 4.591 205 H GLY 30 H GLY 30 3.460 -7.414 4.033 206 HA2 GLY 30 1HA GLY 30 5.693 -7.377 4.561 207 HA3 GLY 30 2HA GLY 30 5.784 -8.969 3.823 208 H SER 31 H SER 31 4.682 -6.318 1.901 209 HA SER 31 HA SER 31 7.341 -5.982 0.710 210 HB2 SER 31 1HB SER 31 4.814 -6.723 -0.776 211 HB3 SER 31 2HB SER 31 6.249 -6.077 -1.572 212 HG SER 31 HG SER 31 7.404 -7.876 -0.645 213 H ALA 32 H ALA 32 7.807 -3.937 0.134 214 HA ALA 32 HA ALA 32 6.056 -1.836 0.928 215 HB1 ALA 32 1HB ALA 32 8.679 -1.806 -0.553 216 HB2 ALA 32 2HB ALA 32 7.824 -0.355 -0.027 217 HB3 ALA 32 3HB ALA 32 8.411 -1.514 1.166 218 H ALA 33 H ALA 33 4.318 -1.264 -0.197 219 HA ALA 33 HA ALA 33 4.506 -1.215 -3.140 220 HB1 ALA 33 1HB ALA 33 2.858 -2.748 -2.935 221 HB2 ALA 33 2HB ALA 33 2.386 -2.190 -1.330 222 HB3 ALA 33 3HB ALA 33 1.854 -1.309 -2.762 223 H ASP 34 H ASP 34 3.083 0.401 -4.188 224 HA ASP 34 HA ASP 34 3.188 2.917 -2.694 225 HB2 ASP 34 1HB ASP 34 4.304 2.747 -4.929 226 HB3 ASP 34 2HB ASP 34 2.715 2.505 -5.652 227 H PHE 35 H PHE 35 1.417 4.444 -2.880 228 HA PHE 35 HA PHE 35 -1.184 3.263 -3.526 229 HB2 PHE 35 1HB PHE 35 -0.476 4.563 -0.890 230 HB3 PHE 35 2HB PHE 35 -2.124 4.216 -1.407 231 HD1 PHE 35 1HD PHE 35 1.031 2.785 -0.244 232 HD2 PHE 35 2HD PHE 35 -2.959 1.951 -1.468 233 HE1 PHE 35 1HE PHE 35 1.223 0.516 0.688 234 HE2 PHE 35 2HE PHE 35 -2.774 -0.319 -0.538 235 HZ PHE 35 HZ PHE 35 -0.681 -1.039 0.543 236 H LEU 36 H LEU 36 -2.327 4.597 -4.755 237 HA LEU 36 HA LEU 36 -1.530 7.407 -4.913 238 HB2 LEU 36 1HB LEU 36 -1.872 5.726 -6.905 239 HB3 LEU 36 2HB LEU 36 -3.563 6.184 -6.717 240 HG LEU 36 HG LEU 36 -2.772 8.593 -6.978 241 HD11 LEU 36 1HD1 LEU 36 -0.590 8.964 -7.077 242 HD12 LEU 36 2HD1 LEU 36 -0.542 8.085 -8.604 243 HD13 LEU 36 3HD1 LEU 36 -0.254 7.232 -7.087 244 HD21 LEU 36 1HD2 LEU 36 -2.323 8.056 -9.556 245 HD22 LEU 36 2HD2 LEU 36 -3.924 7.951 -8.820 246 HD23 LEU 36 3HD2 LEU 36 -2.960 6.491 -9.052 247 H LEU 37 H LEU 37 -2.592 8.755 -3.624 248 HA LEU 37 HA LEU 37 -5.491 8.362 -3.277 249 HB2 LEU 37 1HB LEU 37 -5.376 9.060 -1.054 250 HB3 LEU 37 2HB LEU 37 -4.012 7.962 -1.249 251 HG LEU 37 HG LEU 37 -3.821 10.973 -1.266 252 HD11 LEU 37 1HD1 LEU 37 -2.894 9.114 0.903 253 HD12 LEU 37 2HD1 LEU 37 -4.485 9.871 0.923 254 HD13 LEU 37 3HD1 LEU 37 -3.033 10.872 0.945 255 HD21 LEU 37 1HD2 LEU 37 -1.346 10.086 -0.740 256 HD22 LEU 37 2HD2 LEU 37 -1.925 10.428 -2.370 257 HD23 LEU 37 3HD2 LEU 37 -1.918 8.770 -1.765 258 H ASP 38 H ASP 38 -6.747 9.991 -3.912 259 HA ASP 38 HA ASP 38 -5.620 12.317 -5.112 260 HB2 ASP 38 1HB ASP 38 -7.594 11.633 -6.139 261 HB3 ASP 38 2HB ASP 38 -8.408 11.338 -4.605 262 H ILE 39 H ILE 39 -4.556 13.604 -3.674 263 HA ILE 39 HA ILE 39 -6.205 14.826 -1.562 264 HB ILE 39 HB ILE 39 -4.025 15.141 -0.292 265 HG12 ILE 39 1HG1 ILE 39 -3.048 12.794 -1.896 266 HG13 ILE 39 2HG1 ILE 39 -2.694 14.441 -2.406 267 HG21 ILE 39 1HG2 ILE 39 -4.058 12.539 0.292 268 HG22 ILE 39 2HG2 ILE 39 -5.341 13.643 0.787 269 HG23 ILE 39 3HG2 ILE 39 -5.551 12.631 -0.642 270 HD11 ILE 39 1HD1 ILE 39 -1.467 14.875 -0.423 271 HD12 ILE 39 2HD1 ILE 39 -2.010 13.367 0.315 272 HD13 ILE 39 3HD1 ILE 39 -0.909 13.329 -1.062 273 H SER 40 H SER 40 -6.260 16.992 -1.537 274 HA SER 40 HA SER 40 -4.860 18.425 -3.625 275 HB2 SER 40 1HB SER 40 -6.789 19.462 -1.533 276 HB3 SER 40 2HB SER 40 -6.239 20.332 -2.965 277 HG SER 40 HG SER 40 -7.144 18.232 -4.009 278 H GLU 41 H GLU 41 -3.052 17.415 -1.815 279 HA GLU 41 HA GLU 41 -1.988 19.885 -0.650 280 HB2 GLU 41 1HB GLU 41 -2.080 17.215 0.764 281 HB3 GLU 41 2HB GLU 41 -1.234 18.641 1.347 282 HG2 GLU 41 1HG GLU 41 -4.188 18.607 0.816 283 HG3 GLU 41 2HG GLU 41 -3.487 18.170 2.374 284 H THR 42 H THR 42 0.040 20.246 -1.258 285 HA THR 42 HA THR 42 1.517 18.082 -2.562 286 HB THR 42 HB THR 42 3.045 19.934 -3.323 287 HG1 THR 42 1HG THR 42 2.769 21.736 -2.238 288 HG21 THR 42 1HG2 THR 42 1.799 19.871 -5.167 289 HG22 THR 42 2HG2 THR 42 0.629 20.970 -4.436 290 HG23 THR 42 3HG2 THR 42 0.455 19.228 -4.225 291 H ASP 43 H ASP 43 2.413 20.850 -0.495 292 HA ASP 43 HA ASP 43 4.857 20.213 0.351 293 HB2 ASP 43 1HB ASP 43 4.109 21.032 2.695 294 HB3 ASP 43 2HB ASP 43 3.957 22.133 1.328 295 H LEU 44 H LEU 44 5.759 18.356 0.922 296 HA LEU 44 HA LEU 44 4.230 16.194 2.029 297 HB2 LEU 44 1HB LEU 44 7.035 16.614 1.152 298 HB3 LEU 44 2HB LEU 44 6.716 15.294 2.274 299 HG LEU 44 HG LEU 44 4.874 14.682 0.479 300 HD11 LEU 44 1HD1 LEU 44 6.667 16.592 -0.892 301 HD12 LEU 44 2HD1 LEU 44 4.970 16.213 -1.185 302 HD13 LEU 44 3HD1 LEU 44 6.229 15.129 -1.774 303 HD21 LEU 44 1HD2 LEU 44 7.645 13.947 0.916 304 HD22 LEU 44 2HD2 LEU 44 7.133 13.655 -0.746 305 HD23 LEU 44 3HD2 LEU 44 6.243 12.928 0.594 306 H SER 45 H SER 45 7.084 17.981 3.213 307 HA SER 45 HA SER 45 7.252 16.964 5.747 308 HB2 SER 45 1HB SER 45 8.210 19.195 6.409 309 HB3 SER 45 2HB SER 45 8.920 18.507 4.949 310 HG SER 45 HG SER 45 8.229 20.828 4.950 311 H SER 46 H SER 46 5.363 19.835 4.799 312 HA SER 46 HA SER 46 4.236 20.485 7.211 313 HB2 SER 46 1HB SER 46 3.040 20.605 4.439 314 HB3 SER 46 2HB SER 46 2.258 21.312 5.854 315 HG SER 46 HG SER 46 4.045 22.658 6.116 316 H LEU 47 H LEU 47 3.351 17.873 5.045 317 HA LEU 47 HA LEU 47 1.057 17.147 6.683 318 HB2 LEU 47 1HB LEU 47 2.196 15.814 4.230 319 HB3 LEU 47 2HB LEU 47 0.667 15.414 5.011 320 HG LEU 47 HG LEU 47 1.271 18.070 3.714 321 HD11 LEU 47 1HD1 LEU 47 -0.628 16.898 2.175 322 HD12 LEU 47 2HD1 LEU 47 0.370 15.509 2.604 323 HD13 LEU 47 3HD1 LEU 47 1.097 16.904 1.806 324 HD21 LEU 47 1HD2 LEU 47 -1.409 17.831 3.767 325 HD22 LEU 47 2HD2 LEU 47 -0.473 18.625 5.033 326 HD23 LEU 47 3HD2 LEU 47 -0.992 16.952 5.238 327 H THR 48 H THR 48 0.826 14.760 7.217 328 HA THR 48 HA THR 48 3.403 13.621 8.068 329 HB THR 48 HB THR 48 0.923 13.425 9.767 330 HG1 THR 48 1HG THR 48 1.363 15.595 9.777 331 HG21 THR 48 1HG2 THR 48 2.711 13.064 11.535 332 HG22 THR 48 2HG2 THR 48 3.860 12.923 10.205 333 HG23 THR 48 3HG2 THR 48 2.526 11.779 10.342 334 H ALA 49 H ALA 49 3.440 11.329 8.321 335 HA ALA 49 HA ALA 49 1.220 9.931 6.977 336 HB1 ALA 49 1HB ALA 49 3.622 10.273 5.819 337 HB2 ALA 49 2HB ALA 49 3.917 8.771 6.695 338 HB3 ALA 49 3HB ALA 49 2.593 8.869 5.533 339 H SER 50 H SER 50 0.322 8.396 8.174 340 HA SER 50 HA SER 50 1.944 6.804 9.992 341 HB2 SER 50 1HB SER 50 -0.114 8.772 10.866 342 HB3 SER 50 2HB SER 50 -0.065 7.221 11.706 343 HG SER 50 HG SER 50 2.008 9.134 11.450 344 H ILE 51 H ILE 51 1.198 4.754 10.243 345 HA ILE 51 HA ILE 51 -1.499 4.115 9.288 346 HB ILE 51 HB ILE 51 0.995 2.666 8.388 347 HG12 ILE 51 1HG1 ILE 51 -1.004 4.338 6.848 348 HG13 ILE 51 2HG1 ILE 51 0.654 4.794 7.219 349 HG21 ILE 51 1HG2 ILE 51 -1.354 1.478 8.847 350 HG22 ILE 51 2HG2 ILE 51 -1.654 2.073 7.215 351 HG23 ILE 51 3HG2 ILE 51 -0.285 1.006 7.527 352 HD11 ILE 51 1HD1 ILE 51 1.539 3.286 5.705 353 HD12 ILE 51 2HD1 ILE 51 0.072 2.308 5.670 354 HD13 ILE 51 3HD1 ILE 51 0.100 3.885 4.881 355 H LYS 52 H LYS 52 -2.512 2.553 10.428 356 HA LYS 52 HA LYS 52 -0.923 0.988 12.346 357 HB2 LYS 52 1HB LYS 52 -2.011 2.845 13.533 358 HB3 LYS 52 2HB LYS 52 -3.573 2.334 12.905 359 HG2 LYS 52 1HG LYS 52 -3.659 1.385 14.968 360 HG3 LYS 52 2HG LYS 52 -2.914 0.063 14.068 361 HD2 LYS 52 1HD LYS 52 -0.876 0.359 15.054 362 HD3 LYS 52 2HD LYS 52 -1.111 2.095 15.266 363 HE2 LYS 52 1HE LYS 52 -2.850 0.249 16.813 364 HE3 LYS 52 2HE LYS 52 -1.165 0.405 17.308 365 HZ1 LYS 52 1HZ LYS 52 -1.474 2.506 18.016 366 HZ2 LYS 52 2HZ LYS 52 -3.084 2.015 18.167 367 HZ3 LYS 52 3HZ LYS 52 -2.593 2.888 16.805 368 H ALA 53 H ALA 53 -1.046 -0.991 11.452 369 HA ALA 53 HA ALA 53 -2.936 -2.107 9.853 370 HB1 ALA 53 1HB ALA 53 -1.594 -3.862 10.038 371 HB2 ALA 53 2HB ALA 53 -0.758 -3.055 11.364 372 HB3 ALA 53 3HB ALA 53 -2.118 -4.126 11.701 373 HA PRO 54 HA PRO 54 -6.635 -2.980 12.048 374 HB2 PRO 54 1HB PRO 54 -7.179 -5.572 11.451 375 HB3 PRO 54 2HB PRO 54 -7.329 -4.263 10.272 376 HG2 PRO 54 1HG PRO 54 -5.101 -6.225 10.650 377 HG3 PRO 54 2HG PRO 54 -5.845 -5.654 9.145 378 HD2 PRO 54 1HD PRO 54 -3.486 -4.690 10.059 379 HD3 PRO 54 2HD PRO 54 -4.632 -3.694 9.140 380 H SER 55 H SER 55 -3.853 -4.892 12.753 381 HA SER 55 HA SER 55 -5.093 -6.054 15.135 382 HB2 SER 55 1HB SER 55 -2.743 -7.154 15.302 383 HB3 SER 55 2HB SER 55 -3.845 -7.703 14.039 384 HG SER 55 HG SER 55 -1.950 -5.655 13.586 385 H GLY 56 H GLY 56 -3.895 -3.177 14.461 386 HA2 GLY 56 1HA GLY 56 -3.250 -1.475 15.894 387 HA3 GLY 56 2HA GLY 56 -3.137 -2.657 17.191 388 H ARG 57 H ARG 57 -1.460 -3.272 14.230 389 HA ARG 57 HA ARG 57 1.081 -2.842 15.635 390 HB2 ARG 57 1HB ARG 57 0.569 -4.429 13.114 391 HB3 ARG 57 2HB ARG 57 2.062 -4.385 14.043 392 HG2 ARG 57 1HG ARG 57 0.977 -5.479 15.906 393 HG3 ARG 57 2HG ARG 57 -0.566 -5.451 15.051 394 HD2 ARG 57 1HD ARG 57 0.184 -7.602 14.648 395 HD3 ARG 57 2HD ARG 57 0.715 -6.740 13.205 396 HE ARG 57 HE ARG 57 2.845 -7.287 13.779 397 HH11 ARG 57 1HH1 ARG 57 0.917 -7.231 16.678 398 HH12 ARG 57 2HH1 ARG 57 2.217 -7.731 17.708 399 HH21 ARG 57 1HH2 ARG 57 4.565 -7.946 15.125 400 HH22 ARG 57 2HH2 ARG 57 4.292 -8.137 16.824 401 H ASP 58 H ASP 58 2.086 -1.003 15.195 402 HA ASP 58 HA ASP 58 1.446 0.731 13.093 403 HB2 ASP 58 1HB ASP 58 2.520 1.851 14.784 404 HB3 ASP 58 2HB ASP 58 3.658 0.539 15.077 405 H GLU 59 H GLU 59 2.531 1.265 11.175 406 HA GLU 59 HA GLU 59 4.426 -0.763 10.192 407 HB2 GLU 59 1HB GLU 59 2.524 0.557 8.304 408 HB3 GLU 59 2HB GLU 59 3.316 -1.007 8.178 409 HG2 GLU 59 1HG GLU 59 1.225 -0.489 10.256 410 HG3 GLU 59 2HG GLU 59 0.793 -0.944 8.609 411 HA PRO 60 HA PRO 60 7.026 2.642 9.189 412 HB2 PRO 60 1HB PRO 60 8.570 1.461 7.295 413 HB3 PRO 60 2HB PRO 60 8.722 1.102 9.019 414 HG2 PRO 60 1HG PRO 60 7.291 -0.432 6.883 415 HG3 PRO 60 2HG PRO 60 8.323 -1.035 8.193 416 HD2 PRO 60 1HD PRO 60 5.619 -1.107 8.317 417 HD3 PRO 60 2HD PRO 60 6.636 -0.893 9.757 418 H CYS 61 H CYS 61 5.373 3.969 8.237 419 HA CYS 61 HA CYS 61 5.098 3.753 5.325 420 HB2 CYS 61 1HB CYS 61 3.114 5.007 5.492 421 HB3 CYS 61 2HB CYS 61 3.071 3.936 6.888 422 HG CYS 61 HG CYS 61 4.563 6.620 7.898 423 H LEU 62 H LEU 62 5.611 5.440 3.955 424 HA LEU 62 HA LEU 62 6.811 7.845 5.105 425 HB2 LEU 62 1HB LEU 62 8.486 5.908 4.501 426 HB3 LEU 62 2HB LEU 62 8.246 6.508 2.861 427 HG LEU 62 HG LEU 62 10.273 7.393 4.025 428 HD11 LEU 62 1HD1 LEU 62 8.449 8.678 2.369 429 HD12 LEU 62 2HD1 LEU 62 10.123 9.145 2.668 430 HD13 LEU 62 3HD1 LEU 62 8.826 9.859 3.624 431 HD21 LEU 62 1HD2 LEU 62 8.675 7.678 6.186 432 HD22 LEU 62 2HD2 LEU 62 8.661 9.324 5.550 433 HD23 LEU 62 3HD2 LEU 62 10.193 8.547 5.955 434 H LEU 63 H LEU 63 6.206 9.625 4.050 435 HA LEU 63 HA LEU 63 4.602 9.356 1.654 436 HB2 LEU 63 1HB LEU 63 5.193 11.537 3.595 437 HB3 LEU 63 2HB LEU 63 4.590 11.965 1.996 438 HG LEU 63 HG LEU 63 3.154 10.078 3.855 439 HD11 LEU 63 1HD1 LEU 63 2.435 11.793 5.056 440 HD12 LEU 63 2HD1 LEU 63 1.837 12.586 3.600 441 HD13 LEU 63 3HD1 LEU 63 3.490 12.872 4.144 442 HD21 LEU 63 1HD2 LEU 63 1.728 11.650 1.821 443 HD22 LEU 63 2HD2 LEU 63 1.536 9.962 2.296 444 HD23 LEU 63 3HD2 LEU 63 2.831 10.427 1.191 445 H LYS 64 H LYS 64 5.132 10.021 -0.367 446 HA LYS 64 HA LYS 64 7.595 11.516 -0.802 447 HB2 LYS 64 1HB LYS 64 8.458 9.910 -2.427 448 HB3 LYS 64 2HB LYS 64 8.302 9.166 -0.841 449 HG2 LYS 64 1HG LYS 64 6.213 8.106 -1.546 450 HG3 LYS 64 2HG LYS 64 6.383 8.844 -3.140 451 HD2 LYS 64 1HD LYS 64 7.166 6.576 -3.259 452 HD3 LYS 64 2HD LYS 64 8.556 7.656 -3.392 453 HE2 LYS 64 1HE LYS 64 9.123 7.278 -1.077 454 HE3 LYS 64 2HE LYS 64 7.664 6.316 -0.841 455 HZ1 LYS 64 1HZ LYS 64 8.534 4.715 -2.457 456 HZ2 LYS 64 2HZ LYS 64 9.563 4.886 -1.126 457 HZ3 LYS 64 3HZ LYS 64 9.956 5.622 -2.598 458 H ARG 65 H ARG 65 7.836 12.151 -3.119 459 HA ARG 65 HA ARG 65 5.235 12.933 -4.156 460 HB2 ARG 65 1HB ARG 65 6.888 14.678 -3.999 461 HB3 ARG 65 2HB ARG 65 8.049 13.726 -4.914 462 HG2 ARG 65 1HG ARG 65 7.167 15.407 -6.352 463 HG3 ARG 65 2HG ARG 65 6.511 13.851 -6.868 464 HD2 ARG 65 1HD ARG 65 4.394 14.330 -6.053 465 HD3 ARG 65 2HD ARG 65 4.992 15.560 -4.941 466 HE ARG 65 HE ARG 65 4.103 15.987 -7.579 467 HH11 ARG 65 1HH1 ARG 65 6.612 16.969 -5.375 468 HH12 ARG 65 2HH1 ARG 65 6.829 18.522 -6.109 469 HH21 ARG 65 1HH2 ARG 65 4.380 18.030 -8.555 470 HH22 ARG 65 2HH2 ARG 65 5.558 19.126 -7.917 471 H LEU 66 H LEU 66 4.264 11.997 -5.833 472 HA LEU 66 HA LEU 66 5.721 9.937 -7.314 473 HB2 LEU 66 1HB LEU 66 2.797 10.556 -6.987 474 HB3 LEU 66 2HB LEU 66 3.392 9.388 -8.166 475 HG LEU 66 HG LEU 66 3.716 9.203 -5.171 476 HD11 LEU 66 1HD1 LEU 66 2.268 7.119 -5.635 477 HD12 LEU 66 2HD1 LEU 66 1.829 7.949 -7.128 478 HD13 LEU 66 3HD1 LEU 66 1.487 8.700 -5.569 479 HD21 LEU 66 1HD2 LEU 66 5.181 7.991 -7.289 480 HD22 LEU 66 2HD2 LEU 66 4.207 6.753 -6.497 481 HD23 LEU 66 3HD2 LEU 66 5.330 7.732 -5.551 482 HA PRO 67 HA PRO 67 5.985 12.233 -11.046 483 HB2 PRO 67 1HB PRO 67 5.665 10.275 -12.900 484 HB3 PRO 67 2HB PRO 67 7.131 10.448 -11.927 485 HG2 PRO 67 1HG PRO 67 4.808 8.598 -11.542 486 HG3 PRO 67 2HG PRO 67 6.543 8.262 -11.391 487 HD2 PRO 67 1HD PRO 67 4.951 8.701 -9.244 488 HD3 PRO 67 2HD PRO 67 6.663 9.171 -9.275 489 H ASN 68 H ASN 68 4.816 12.863 -12.996 490 HA ASN 68 HA ASN 68 2.957 13.376 -14.220 491 HB2 ASN 68 1HB ASN 68 2.498 10.867 -13.970 492 HB3 ASN 68 2HB ASN 68 1.408 11.312 -12.659 493 HD21 ASN 68 1HD2 ASN 68 -0.083 10.178 -14.181 494 HD22 ASN 68 2HD2 ASN 68 -0.879 11.142 -15.373 495 H ASN 69 H ASN 69 3.644 14.527 -11.593 496 HA ASN 69 HA ASN 69 2.835 16.087 -10.150 497 HB2 ASN 69 1HB ASN 69 0.385 16.174 -11.917 498 HB3 ASN 69 2HB ASN 69 0.979 17.443 -10.851 499 HD21 ASN 69 1HD2 ASN 69 2.866 18.578 -11.432 500 HD22 ASN 69 2HD2 ASN 69 3.401 18.637 -13.074 501 H HIS 70 H HIS 70 2.437 13.422 -9.452 502 HA HIS 70 HA HIS 70 -0.086 13.607 -7.946 503 HB2 HIS 70 1HB HIS 70 1.114 11.082 -9.103 504 HB3 HIS 70 2HB HIS 70 -0.361 11.182 -8.145 505 HD1 HIS 70 1HD HIS 70 -1.472 13.749 -9.677 506 HD2 HIS 70 2HD HIS 70 -0.146 10.214 -11.412 507 HE1 HIS 70 1HE HIS 70 -2.596 13.639 -11.923 508 HE2 HIS 70 2HE HIS 70 -1.846 11.451 -12.919 509 H ILE 71 H ILE 71 -0.083 12.186 -5.980 510 HA ILE 71 HA ILE 71 2.586 11.727 -4.870 511 HB ILE 71 HB ILE 71 0.480 13.251 -3.340 512 HG12 ILE 71 1HG1 ILE 71 3.041 14.423 -4.401 513 HG13 ILE 71 2HG1 ILE 71 1.564 14.443 -5.358 514 HG21 ILE 71 1HG2 ILE 71 2.683 11.805 -2.475 515 HG22 ILE 71 2HG2 ILE 71 3.221 13.483 -2.449 516 HG23 ILE 71 3HG2 ILE 71 1.781 13.006 -1.551 517 HD11 ILE 71 1HD1 ILE 71 0.787 15.423 -2.890 518 HD12 ILE 71 2HD1 ILE 71 2.372 16.142 -3.174 519 HD13 ILE 71 3HD1 ILE 71 1.082 16.356 -4.357 520 H GLY 72 H GLY 72 2.706 10.062 -3.415 521 HA2 GLY 72 1HA GLY 72 0.222 8.856 -2.446 522 HA3 GLY 72 2HA GLY 72 1.260 7.865 -3.460 523 H ILE 73 H ILE 73 0.780 6.833 -1.089 524 HA ILE 73 HA ILE 73 3.054 7.555 0.632 525 HB ILE 73 HB ILE 73 0.793 7.587 1.677 526 HG12 ILE 73 1HG1 ILE 73 2.333 5.347 2.938 527 HG13 ILE 73 2HG1 ILE 73 3.070 6.940 2.811 528 HG21 ILE 73 1HG2 ILE 73 0.804 4.804 0.669 529 HG22 ILE 73 2HG2 ILE 73 0.076 5.085 2.250 530 HG23 ILE 73 3HG2 ILE 73 -0.529 5.946 0.834 531 HD11 ILE 73 1HD1 ILE 73 1.039 7.845 3.981 532 HD12 ILE 73 2HD1 ILE 73 0.577 6.173 4.294 533 HD13 ILE 73 3HD1 ILE 73 2.086 6.807 4.948 534 H SER 74 H SER 74 4.308 5.849 1.587 535 HA SER 74 HA SER 74 4.205 3.291 0.143 536 HB2 SER 74 1HB SER 74 6.588 5.095 0.522 537 HB3 SER 74 2HB SER 74 6.776 3.368 0.222 538 HG SER 74 HG SER 74 5.327 5.151 -1.445 539 H PHE 75 H PHE 75 3.998 1.680 1.534 540 HA PHE 75 HA PHE 75 5.611 1.565 3.926 541 HB2 PHE 75 1HB PHE 75 3.877 1.505 5.526 542 HB3 PHE 75 2HB PHE 75 3.494 2.885 4.500 543 HD1 PHE 75 1HD PHE 75 1.609 2.820 2.976 544 HD2 PHE 75 2HD PHE 75 2.509 -0.477 5.513 545 HE1 PHE 75 1HE PHE 75 -0.624 1.884 2.546 546 HE2 PHE 75 2HE PHE 75 0.277 -1.419 5.087 547 HZ PHE 75 HZ PHE 75 -1.293 -0.238 3.601 548 H ILE 76 H ILE 76 5.606 -0.524 4.920 549 HA ILE 76 HA ILE 76 4.858 -2.634 3.035 550 HB ILE 76 HB ILE 76 6.683 -2.718 5.440 551 HG12 ILE 76 1HG1 ILE 76 7.432 -3.032 2.537 552 HG13 ILE 76 2HG1 ILE 76 7.407 -1.460 3.328 553 HG21 ILE 76 1HG2 ILE 76 7.268 -4.960 4.751 554 HG22 ILE 76 2HG2 ILE 76 5.531 -4.858 5.032 555 HG23 ILE 76 3HG2 ILE 76 6.158 -4.860 3.384 556 HD11 ILE 76 1HD1 ILE 76 9.629 -2.713 3.175 557 HD12 ILE 76 2HD1 ILE 76 9.180 -2.007 4.727 558 HD13 ILE 76 3HD1 ILE 76 8.983 -3.738 4.457 559 HA PRO 77 HA PRO 77 1.418 -3.322 5.886 560 HB2 PRO 77 1HB PRO 77 0.026 -4.889 4.161 561 HB3 PRO 77 2HB PRO 77 0.011 -3.124 4.080 562 HG2 PRO 77 1HG PRO 77 1.598 -5.081 2.464 563 HG3 PRO 77 2HG PRO 77 0.743 -3.622 1.930 564 HD2 PRO 77 1HD PRO 77 3.421 -3.678 2.329 565 HD3 PRO 77 2HD PRO 77 2.444 -2.224 2.614 566 H ARG 78 H ARG 78 2.521 -4.606 7.383 567 HA ARG 78 HA ARG 78 3.530 -7.182 6.870 568 HB2 ARG 78 1HB ARG 78 2.862 -5.605 9.304 569 HB3 ARG 78 2HB ARG 78 3.063 -7.342 9.493 570 HG2 ARG 78 1HG ARG 78 5.157 -6.357 9.956 571 HG3 ARG 78 2HG ARG 78 5.294 -7.101 8.362 572 HD2 ARG 78 1HD ARG 78 5.099 -4.998 7.272 573 HD3 ARG 78 2HD ARG 78 4.630 -4.194 8.770 574 HE ARG 78 HE ARG 78 7.270 -4.662 7.859 575 HH11 ARG 78 1HH1 ARG 78 5.332 -4.600 10.749 576 HH12 ARG 78 2HH1 ARG 78 6.660 -4.198 11.787 577 HH21 ARG 78 1HH2 ARG 78 9.027 -4.133 9.214 578 HH22 ARG 78 2HH2 ARG 78 8.760 -3.931 10.913 579 H GLU 79 H GLU 79 0.349 -6.033 7.797 580 HA GLU 79 HA GLU 79 -0.639 -8.804 7.611 581 HB2 GLU 79 1HB GLU 79 -0.717 -7.495 9.897 582 HB3 GLU 79 2HB GLU 79 -2.126 -6.733 9.172 583 HG2 GLU 79 1HG GLU 79 -3.318 -8.725 9.090 584 HG3 GLU 79 2HG GLU 79 -1.867 -9.711 9.254 585 H VAL 80 H VAL 80 -3.126 -8.757 7.199 586 HA VAL 80 HA VAL 80 -3.637 -6.815 5.038 587 HB VAL 80 HB VAL 80 -4.991 -8.502 3.923 588 HG11 VAL 80 1HG1 VAL 80 -2.333 -8.376 3.871 589 HG12 VAL 80 2HG1 VAL 80 -2.509 -10.025 4.476 590 HG13 VAL 80 3HG1 VAL 80 -3.240 -9.566 2.937 591 HG21 VAL 80 1HG2 VAL 80 -4.688 -10.914 4.855 592 HG22 VAL 80 2HG2 VAL 80 -4.384 -10.087 6.383 593 HG23 VAL 80 3HG2 VAL 80 -5.919 -9.858 5.548 594 H GLY 81 H GLY 81 -5.947 -6.371 4.619 595 HA2 GLY 81 1HA GLY 81 -8.231 -6.761 5.676 596 HA3 GLY 81 2HA GLY 81 -7.431 -6.291 7.168 597 H GLU 82 H GLU 82 -8.283 -4.378 7.699 598 HA GLU 82 HA GLU 82 -8.484 -2.320 5.605 599 HB2 GLU 82 1HB GLU 82 -10.606 -2.924 6.733 600 HB3 GLU 82 2HB GLU 82 -9.903 -2.442 8.271 601 HG2 GLU 82 1HG GLU 82 -9.762 -0.165 7.577 602 HG3 GLU 82 2HG GLU 82 -10.222 -0.586 5.928 603 H HIS 83 H HIS 83 -6.575 -1.267 5.629 604 HA HIS 83 HA HIS 83 -5.364 -0.524 8.178 605 HB2 HIS 83 1HB HIS 83 -4.423 -0.542 5.330 606 HB3 HIS 83 2HB HIS 83 -3.582 0.439 6.526 607 HD1 HIS 83 1HD HIS 83 -4.771 -3.180 6.330 608 HD2 HIS 83 2HD HIS 83 -1.529 -0.922 7.614 609 HE1 HIS 83 1HE HIS 83 -3.096 -4.842 7.200 610 HE2 HIS 83 2HE HIS 83 -1.179 -3.447 8.049 611 H LEU 84 H LEU 84 -5.596 1.423 9.055 612 HA LEU 84 HA LEU 84 -6.859 3.533 7.458 613 HB2 LEU 84 1HB LEU 84 -6.704 2.948 10.385 614 HB3 LEU 84 2HB LEU 84 -7.049 4.585 9.832 615 HG LEU 84 HG LEU 84 -8.700 2.195 9.036 616 HD11 LEU 84 1HD1 LEU 84 -9.603 2.162 11.058 617 HD12 LEU 84 2HD1 LEU 84 -10.096 3.842 10.850 618 HD13 LEU 84 3HD1 LEU 84 -8.538 3.465 11.585 619 HD21 LEU 84 1HD2 LEU 84 -10.355 4.241 8.841 620 HD22 LEU 84 2HD2 LEU 84 -9.254 3.818 7.529 621 HD23 LEU 84 3HD2 LEU 84 -8.850 5.136 8.629 622 H VAL 85 H VAL 85 -5.542 4.982 6.592 623 HA VAL 85 HA VAL 85 -2.933 5.490 7.797 624 HB VAL 85 HB VAL 85 -3.986 6.680 5.237 625 HG11 VAL 85 1HG1 VAL 85 -1.166 6.053 5.388 626 HG12 VAL 85 2HG1 VAL 85 -1.963 7.584 5.017 627 HG13 VAL 85 3HG1 VAL 85 -1.665 7.125 6.695 628 HG21 VAL 85 1HG2 VAL 85 -2.518 4.755 4.248 629 HG22 VAL 85 2HG2 VAL 85 -2.881 3.960 5.780 630 HG23 VAL 85 3HG2 VAL 85 -4.193 4.447 4.706 631 H SER 86 H SER 86 -2.748 7.061 9.241 632 HA SER 86 HA SER 86 -4.703 9.202 9.356 633 HB2 SER 86 1HB SER 86 -2.298 8.888 11.148 634 HB3 SER 86 2HB SER 86 -3.815 9.718 11.494 635 HG SER 86 HG SER 86 -3.211 7.246 12.075 636 H ILE 87 H ILE 87 -4.415 10.819 7.958 637 HA ILE 87 HA ILE 87 -1.691 11.889 7.610 638 HB ILE 87 HB ILE 87 -3.971 12.260 5.676 639 HG12 ILE 87 1HG1 ILE 87 -3.536 9.895 5.743 640 HG13 ILE 87 2HG1 ILE 87 -2.790 10.539 4.285 641 HG21 ILE 87 1HG2 ILE 87 -1.923 13.821 5.780 642 HG22 ILE 87 2HG2 ILE 87 -1.044 12.462 5.080 643 HG23 ILE 87 3HG2 ILE 87 -2.407 13.168 4.215 644 HD11 ILE 87 1HD1 ILE 87 -1.599 9.118 6.473 645 HD12 ILE 87 2HD1 ILE 87 -0.918 9.541 4.901 646 HD13 ILE 87 3HD1 ILE 87 -0.813 10.681 6.243 647 H LYS 88 H LYS 88 -1.393 13.712 8.692 648 HA LYS 88 HA LYS 88 -3.554 15.706 8.717 649 HB2 LYS 88 1HB LYS 88 -1.754 15.476 11.088 650 HB3 LYS 88 2HB LYS 88 -3.397 16.095 10.988 651 HG2 LYS 88 1HG LYS 88 -4.327 13.943 10.981 652 HG3 LYS 88 2HG LYS 88 -2.775 13.184 10.615 653 HD2 LYS 88 1HD LYS 88 -1.971 14.048 12.851 654 HD3 LYS 88 2HD LYS 88 -3.649 14.470 13.196 655 HE2 LYS 88 1HE LYS 88 -4.151 12.013 12.584 656 HE3 LYS 88 2HE LYS 88 -2.421 11.763 12.809 657 HZ1 LYS 88 1HZ LYS 88 -3.753 11.311 14.817 658 HZ2 LYS 88 2HZ LYS 88 -4.220 12.936 14.857 659 HZ3 LYS 88 3HZ LYS 88 -2.593 12.521 15.058 660 H LYS 89 H LYS 89 -2.644 17.897 9.489 661 HA LYS 89 HA LYS 89 0.046 18.290 8.353 662 HB2 LYS 89 1HB LYS 89 -1.535 19.112 6.737 663 HB3 LYS 89 2HB LYS 89 -2.421 19.992 7.976 664 HG2 LYS 89 1HG LYS 89 -0.519 21.478 8.298 665 HG3 LYS 89 2HG LYS 89 0.393 20.584 7.079 666 HD2 LYS 89 1HD LYS 89 -2.274 21.772 6.415 667 HD3 LYS 89 2HD LYS 89 -0.821 22.773 6.403 668 HE2 LYS 89 1HE LYS 89 0.130 20.807 4.945 669 HE3 LYS 89 2HE LYS 89 -1.577 20.489 4.640 670 HZ1 LYS 89 1HZ LYS 89 -0.683 21.934 2.952 671 HZ2 LYS 89 2HZ LYS 89 -0.150 23.040 4.114 672 HZ3 LYS 89 3HZ LYS 89 -1.807 22.791 3.881 673 H ASN 90 H ASN 90 1.299 18.715 10.062 674 HA ASN 90 HA ASN 90 2.148 19.737 11.907 675 HB2 ASN 90 1HB ASN 90 0.300 21.835 10.827 676 HB3 ASN 90 2HB ASN 90 1.095 22.091 12.377 677 HD21 ASN 90 1HD2 ASN 90 1.681 21.379 8.980 678 HD22 ASN 90 2HD2 ASN 90 3.252 22.097 8.913 679 H GLY 91 H GLY 91 -0.223 17.964 12.092 680 HA2 GLY 91 1HA GLY 91 -1.113 17.101 14.114 681 HA3 GLY 91 2HA GLY 91 -0.961 18.698 14.832 682 H ASN 92 H ASN 92 -2.302 18.627 11.689 683 HA ASN 92 HA ASN 92 -5.031 18.713 12.783 684 HB2 ASN 92 1HB ASN 92 -3.777 20.664 10.844 685 HB3 ASN 92 2HB ASN 92 -5.510 20.565 11.144 686 HD21 ASN 92 1HD2 ASN 92 -2.401 21.327 12.542 687 HD22 ASN 92 2HD2 ASN 92 -3.008 22.271 13.856 688 H HIS 93 H HIS 93 -5.818 16.846 11.983 689 HA HIS 93 HA HIS 93 -5.203 15.385 9.820 690 HB2 HIS 93 1HB HIS 93 -7.814 15.941 11.148 691 HB3 HIS 93 2HB HIS 93 -7.832 15.037 9.637 692 HD1 HIS 93 1HD HIS 93 -6.847 12.655 9.667 693 HD2 HIS 93 2HD HIS 93 -6.717 14.584 13.344 694 HE1 HIS 93 1HE HIS 93 -6.290 10.867 11.345 695 HE2 HIS 93 2HE HIS 93 -6.300 12.042 13.572 696 H VAL 94 H VAL 94 -5.716 15.277 7.632 697 HA VAL 94 HA VAL 94 -6.558 17.839 6.451 698 HB VAL 94 HB VAL 94 -5.372 17.150 4.423 699 HG11 VAL 94 1HG1 VAL 94 -3.234 16.670 6.356 700 HG12 VAL 94 2HG1 VAL 94 -3.443 17.983 5.194 701 HG13 VAL 94 3HG1 VAL 94 -4.260 18.048 6.756 702 HG21 VAL 94 1HG2 VAL 94 -4.312 15.130 4.131 703 HG22 VAL 94 2HG2 VAL 94 -4.146 14.843 5.863 704 HG23 VAL 94 3HG2 VAL 94 -5.713 14.638 5.082 705 H ALA 95 H ALA 95 -7.299 17.284 4.001 706 HA ALA 95 HA ALA 95 -9.837 16.026 4.302 707 HB1 ALA 95 1HB ALA 95 -8.386 17.403 2.110 708 HB2 ALA 95 2HB ALA 95 -9.725 16.342 1.670 709 HB3 ALA 95 3HB ALA 95 -9.996 17.698 2.765 710 H ASN 96 H ASN 96 -10.614 14.125 3.395 711 HA ASN 96 HA ASN 96 -10.575 11.967 2.676 712 HB2 ASN 96 1HB ASN 96 -7.985 12.765 1.329 713 HB3 ASN 96 2HB ASN 96 -8.925 11.316 0.982 714 HD21 ASN 96 1HD2 ASN 96 -8.633 14.716 0.530 715 HD22 ASN 96 2HD2 ASN 96 -9.919 14.894 -0.610 716 H SER 97 H SER 97 -9.304 12.796 5.189 717 HA SER 97 HA SER 97 -7.635 10.411 5.584 718 HB2 SER 97 1HB SER 97 -6.041 12.192 5.508 719 HB3 SER 97 2HB SER 97 -7.042 13.218 6.535 720 HG SER 97 HG SER 97 -5.695 12.411 7.983 721 HA PRO 98 HA PRO 98 -6.562 9.504 7.337 722 HB2 PRO 98 1HB PRO 98 -7.243 7.049 8.272 723 HB3 PRO 98 2HB PRO 98 -6.654 8.346 9.319 724 HG2 PRO 98 1HG PRO 98 -9.466 7.449 8.814 725 HG3 PRO 98 2HG PRO 98 -8.689 7.888 10.347 726 HD2 PRO 98 1HD PRO 98 -10.309 9.586 8.995 727 HD3 PRO 98 2HD PRO 98 -8.935 10.148 9.968 728 H VAL 99 H VAL 99 -5.979 7.985 5.751 729 HA VAL 99 HA VAL 99 -8.043 7.501 3.763 730 HB VAL 99 HB VAL 99 -5.104 6.837 3.579 731 HG11 VAL 99 1HG1 VAL 99 -5.463 6.249 1.440 732 HG12 VAL 99 2HG1 VAL 99 -7.134 6.033 1.963 733 HG13 VAL 99 3HG1 VAL 99 -6.642 7.534 1.178 734 HG21 VAL 99 1HG2 VAL 99 -6.057 9.349 3.936 735 HG22 VAL 99 2HG2 VAL 99 -4.594 8.960 3.031 736 HG23 VAL 99 3HG2 VAL 99 -6.118 9.214 2.179 737 H SER 100 H SER 100 -9.127 5.658 3.653 738 HA SER 100 HA SER 100 -8.228 3.343 5.152 739 HB2 SER 100 1HB SER 100 -10.499 3.520 5.453 740 HB3 SER 100 2HB SER 100 -10.769 4.187 3.843 741 HG SER 100 HG SER 100 -10.485 1.511 4.642 742 H ILE 101 H ILE 101 -7.303 1.576 4.324 743 HA ILE 101 HA ILE 101 -7.356 1.196 1.407 744 HB ILE 101 HB ILE 101 -4.927 0.736 3.141 745 HG12 ILE 101 1HG1 ILE 101 -5.381 2.925 1.104 746 HG13 ILE 101 2HG1 ILE 101 -5.530 3.154 2.842 747 HG21 ILE 101 1HG2 ILE 101 -3.781 0.124 1.208 748 HG22 ILE 101 2HG2 ILE 101 -5.352 -0.655 1.021 749 HG23 ILE 101 3HG2 ILE 101 -4.998 0.835 0.147 750 HD11 ILE 101 1HD1 ILE 101 -3.399 3.922 2.364 751 HD12 ILE 101 2HD1 ILE 101 -3.116 2.280 2.944 752 HD13 ILE 101 3HD1 ILE 101 -3.081 2.623 1.215 753 H MET 102 H MET 102 -7.523 -0.888 0.690 754 HA MET 102 HA MET 102 -8.021 -2.910 2.761 755 HB2 MET 102 1HB MET 102 -9.814 -2.318 1.061 756 HB3 MET 102 2HB MET 102 -8.791 -3.077 -0.151 757 HG2 MET 102 1HG MET 102 -10.112 -4.841 0.362 758 HG3 MET 102 2HG MET 102 -8.853 -5.079 1.570 759 HE1 MET 102 1HE MET 102 -9.269 -5.849 3.408 760 HE2 MET 102 2HE MET 102 -9.785 -4.686 4.630 761 HE3 MET 102 3HE MET 102 -10.833 -6.041 4.203 762 H VAL 103 H VAL 103 -6.651 -4.546 3.024 763 HA VAL 103 HA VAL 103 -4.735 -5.126 0.858 764 HB VAL 103 HB VAL 103 -4.269 -5.344 3.835 765 HG11 VAL 103 1HG1 VAL 103 -3.167 -7.067 2.308 766 HG12 VAL 103 2HG1 VAL 103 -2.218 -5.720 1.674 767 HG13 VAL 103 3HG1 VAL 103 -2.114 -6.147 3.382 768 HG21 VAL 103 1HG2 VAL 103 -3.158 -3.438 1.779 769 HG22 VAL 103 2HG2 VAL 103 -4.250 -3.038 3.105 770 HG23 VAL 103 3HG2 VAL 103 -2.602 -3.562 3.448 771 H VAL 104 H VAL 104 -4.301 -7.252 0.370 772 HA VAL 104 HA VAL 104 -5.427 -9.391 1.964 773 HB VAL 104 HB VAL 104 -6.688 -10.370 0.059 774 HG11 VAL 104 1HG1 VAL 104 -7.768 -9.051 1.877 775 HG12 VAL 104 2HG1 VAL 104 -7.698 -7.635 0.826 776 HG13 VAL 104 3HG1 VAL 104 -8.657 -9.038 0.354 777 HG21 VAL 104 1HG2 VAL 104 -6.775 -7.714 -1.272 778 HG22 VAL 104 2HG2 VAL 104 -5.371 -8.743 -1.558 779 HG23 VAL 104 3HG2 VAL 104 -6.987 -9.327 -1.952 780 H GLN 105 H GLN 105 -4.585 -11.433 1.452 781 HA GLN 105 HA GLN 105 -2.045 -11.340 0.072 782 HB2 GLN 105 1HB GLN 105 -1.978 -13.795 0.823 783 HB3 GLN 105 2HB GLN 105 -1.936 -12.556 2.071 784 HG2 GLN 105 1HG GLN 105 -4.580 -13.645 1.282 785 HG3 GLN 105 2HG GLN 105 -3.510 -14.667 2.240 786 HE21 GLN 105 1HE2 GLN 105 -2.440 -13.342 4.100 787 HE22 GLN 105 2HE2 GLN 105 -3.547 -12.421 5.053 788 H SER 106 H SER 106 -2.764 -11.025 -2.087 789 HA SER 106 HA SER 106 -4.554 -12.762 -3.409 790 HB2 SER 106 1HB SER 106 -2.551 -10.720 -4.272 791 HB3 SER 106 2HB SER 106 -3.194 -11.830 -5.483 792 HG SER 106 HG SER 106 -5.315 -11.157 -4.745 793 H GLU 107 H GLU 107 -1.061 -12.475 -4.052 794 HA GLU 107 HA GLU 107 -0.636 -14.727 -5.485 795 HB2 GLU 107 1HB GLU 107 1.060 -12.973 -4.711 796 HB3 GLU 107 2HB GLU 107 1.252 -13.959 -3.268 797 HG2 GLU 107 1HG GLU 107 2.974 -14.388 -4.971 798 HG3 GLU 107 2HG GLU 107 2.023 -15.819 -4.576 799 H ILE 108 H ILE 108 -0.181 -16.894 -5.107 800 HA ILE 108 HA ILE 108 -1.212 -17.919 -2.557 801 HB ILE 108 HB ILE 108 -0.830 -19.351 -5.189 802 HG12 ILE 108 1HG1 ILE 108 -3.437 -18.691 -3.830 803 HG13 ILE 108 2HG1 ILE 108 -2.679 -17.581 -4.967 804 HG21 ILE 108 1HG2 ILE 108 -2.399 -20.423 -2.885 805 HG22 ILE 108 2HG2 ILE 108 -1.655 -21.283 -4.232 806 HG23 ILE 108 3HG2 ILE 108 -0.649 -20.635 -2.936 807 HD11 ILE 108 1HD1 ILE 108 -4.316 -18.846 -6.136 808 HD12 ILE 108 2HD1 ILE 108 -2.728 -19.408 -6.659 809 HD13 ILE 108 3HD1 ILE 108 -3.669 -20.364 -5.515 810 H GLY 109 H GLY 109 1.415 -18.482 -4.897 811 HA2 GLY 109 1HA GLY 109 3.327 -18.882 -2.809 812 HA3 GLY 109 2HA GLY 109 2.859 -20.402 -3.556 813 H ASP 110 H ASP 110 3.533 -20.881 -5.629 814 HA ASP 110 HA ASP 110 5.260 -18.906 -6.953 815 HB2 ASP 110 1HB ASP 110 6.684 -20.480 -5.684 816 HB3 ASP 110 2HB ASP 110 5.959 -21.824 -6.561 817 H SER 111 H SER 111 5.519 -19.214 -9.226 818 HA SER 111 HA SER 111 3.198 -20.520 -10.428 819 HB2 SER 111 1HB SER 111 3.767 -18.117 -10.945 820 HB3 SER 111 2HB SER 111 5.208 -18.706 -11.776 821 HG SER 111 HG SER 111 4.013 -19.281 -13.406 822 H GLY 112 H GLY 112 5.051 -22.333 -9.529 823 HA2 GLY 112 1HA GLY 112 7.111 -23.146 -11.141 824 HA3 GLY 112 2HA GLY 112 6.058 -24.261 -10.283 825 HA PRO 113 HA PRO 113 5.459 -24.225 -15.067 826 HB2 PRO 113 1HB PRO 113 7.344 -26.011 -15.861 827 HB3 PRO 113 2HB PRO 113 7.634 -24.267 -15.807 828 HG2 PRO 113 1HG PRO 113 8.404 -26.379 -13.829 829 HG3 PRO 113 2HG PRO 113 9.355 -25.010 -14.429 830 HD2 PRO 113 1HD PRO 113 8.105 -24.974 -12.028 831 HD3 PRO 113 2HD PRO 113 8.328 -23.512 -13.010 832 H SER 114 H SER 114 6.462 -26.863 -12.917 833 HA SER 114 HA SER 114 4.003 -28.269 -13.374 834 HB2 SER 114 1HB SER 114 5.238 -28.985 -15.366 835 HB3 SER 114 2HB SER 114 6.587 -29.507 -14.357 836 HG SER 114 HG SER 114 4.996 -30.938 -13.327 837 H SER 115 H SER 115 3.462 -29.116 -11.483 838 HA SER 115 HA SER 115 5.548 -29.580 -9.486 839 HB2 SER 115 1HB SER 115 2.541 -29.505 -9.147 840 HB3 SER 115 2HB SER 115 3.731 -29.591 -7.849 841 HG SER 115 HG SER 115 3.003 -27.443 -9.468 842 H GLY 116 H GLY 116 5.934 -31.540 -8.551 843 HA2 GLY 116 1HA GLY 116 4.655 -33.844 -9.861 844 HA3 GLY 116 2HA GLY 116 6.226 -33.862 -9.072 Start of MODEL 15 1 H1 GLY 1 H GLY 1 14.133 -17.395 -1.525 2 HA2 GLY 1 1HA GLY 1 15.490 -19.234 -0.280 3 HA3 GLY 1 2HA GLY 1 14.064 -20.195 -0.642 4 H SER 2 H SER 2 15.081 -21.653 -1.979 5 HA SER 2 HA SER 2 16.274 -20.557 -4.438 6 HB2 SER 2 1HB SER 2 17.456 -22.692 -4.660 7 HB3 SER 2 2HB SER 2 17.795 -21.963 -3.091 8 HG SER 2 HG SER 2 15.783 -23.916 -3.507 9 H SER 3 H SER 3 14.587 -20.370 -5.817 10 HA SER 3 HA SER 3 12.273 -21.707 -6.062 11 HB2 SER 3 1HB SER 3 14.118 -20.562 -8.112 12 HB3 SER 3 2HB SER 3 12.738 -21.507 -8.670 13 HG SER 3 HG SER 3 12.747 -18.994 -7.911 14 H GLY 4 H GLY 4 11.494 -23.504 -7.304 15 HA2 GLY 4 1HA GLY 4 13.525 -25.624 -7.649 16 HA3 GLY 4 2HA GLY 4 11.924 -25.932 -6.992 17 H SER 5 H SER 5 10.313 -26.451 -8.351 18 HA SER 5 HA SER 5 10.772 -27.288 -10.932 19 HB2 SER 5 1HB SER 5 8.794 -28.007 -9.767 20 HB3 SER 5 2HB SER 5 8.195 -26.352 -9.653 21 HG SER 5 HG SER 5 8.465 -27.950 -11.978 22 H SER 6 H SER 6 11.506 -26.126 -12.578 23 HA SER 6 HA SER 6 10.028 -23.825 -13.494 24 HB2 SER 6 1HB SER 6 12.947 -23.490 -12.761 25 HB3 SER 6 2HB SER 6 11.902 -22.268 -13.484 26 HG SER 6 HG SER 6 11.249 -21.791 -11.557 27 H GLY 7 H GLY 7 10.495 -23.261 -15.656 28 HA2 GLY 7 1HA GLY 7 12.459 -24.930 -17.057 29 HA3 GLY 7 2HA GLY 7 10.781 -25.012 -17.570 30 H ILE 8 H ILE 8 9.818 -23.179 -18.545 31 HA ILE 8 HA ILE 8 11.177 -21.894 -20.488 32 HB ILE 8 HB ILE 8 9.468 -20.123 -20.473 33 HG12 ILE 8 1HG1 ILE 8 8.185 -21.400 -18.087 34 HG13 ILE 8 2HG1 ILE 8 9.441 -20.190 -17.847 35 HG21 ILE 8 1HG2 ILE 8 7.841 -22.499 -19.856 36 HG22 ILE 8 2HG2 ILE 8 7.892 -21.502 -21.308 37 HG23 ILE 8 3HG2 ILE 8 9.124 -22.735 -21.043 38 HD11 ILE 8 1HD1 ILE 8 8.009 -18.752 -19.452 39 HD12 ILE 8 2HD1 ILE 8 6.723 -19.883 -19.030 40 HD13 ILE 8 3HD1 ILE 8 7.514 -18.938 -17.769 41 HA PRO 9 HA PRO 9 13.913 -18.932 -18.743 42 HB2 PRO 9 1HB PRO 9 13.951 -17.074 -20.721 43 HB3 PRO 9 2HB PRO 9 14.745 -18.647 -20.866 44 HG2 PRO 9 1HG PRO 9 12.090 -17.761 -21.928 45 HG3 PRO 9 2HG PRO 9 13.348 -18.727 -22.722 46 HD2 PRO 9 1HD PRO 9 11.137 -19.836 -21.619 47 HD3 PRO 9 2HD PRO 9 12.705 -20.668 -21.658 48 H GLY 10 H GLY 10 13.069 -17.932 -16.977 49 HA2 GLY 10 1HA GLY 10 12.542 -15.489 -16.473 50 HA3 GLY 10 2HA GLY 10 11.101 -15.782 -17.437 51 H SER 11 H SER 11 10.692 -14.855 -14.973 52 HA SER 11 HA SER 11 10.463 -16.865 -12.973 53 HB2 SER 11 1HB SER 11 9.049 -15.160 -11.794 54 HB3 SER 11 2HB SER 11 10.626 -14.553 -12.298 55 HG SER 11 HG SER 11 9.683 -13.417 -13.916 56 HA PRO 12 HA PRO 12 6.770 -18.862 -14.328 57 HB2 PRO 12 1HB PRO 12 6.114 -20.075 -11.987 58 HB3 PRO 12 2HB PRO 12 7.438 -20.629 -13.019 59 HG2 PRO 12 1HG PRO 12 7.540 -18.935 -10.554 60 HG3 PRO 12 2HG PRO 12 8.592 -20.280 -11.030 61 HD2 PRO 12 1HD PRO 12 9.313 -17.688 -11.335 62 HD3 PRO 12 2HD PRO 12 9.842 -18.964 -12.450 63 H PHE 13 H PHE 13 5.433 -17.054 -14.699 64 HA PHE 13 HA PHE 13 3.411 -16.656 -12.646 65 HB2 PHE 13 1HB PHE 13 4.817 -14.827 -12.094 66 HB3 PHE 13 2HB PHE 13 5.101 -14.437 -13.787 67 HD1 PHE 13 1HD PHE 13 2.182 -14.823 -11.488 68 HD2 PHE 13 2HD PHE 13 4.053 -12.563 -14.572 69 HE1 PHE 13 1HE PHE 13 0.332 -13.202 -11.418 70 HE2 PHE 13 2HE PHE 13 2.208 -10.937 -14.506 71 HZ PHE 13 HZ PHE 13 0.344 -11.255 -12.928 72 H THR 14 H THR 14 1.399 -16.217 -13.456 73 HA THR 14 HA THR 14 1.140 -15.691 -16.327 74 HB THR 14 HB THR 14 -0.355 -17.902 -14.907 75 HG1 THR 14 1HG THR 14 1.134 -19.199 -15.677 76 HG21 THR 14 1HG2 THR 14 -0.501 -16.774 -17.689 77 HG22 THR 14 2HG2 THR 14 -1.811 -17.054 -16.543 78 HG23 THR 14 3HG2 THR 14 -1.019 -18.420 -17.329 79 H ALA 15 H ALA 15 -0.202 -14.050 -16.643 80 HA ALA 15 HA ALA 15 -2.067 -13.304 -14.514 81 HB1 ALA 15 1HB ALA 15 -1.505 -11.659 -16.956 82 HB2 ALA 15 2HB ALA 15 -2.049 -11.134 -15.362 83 HB3 ALA 15 3HB ALA 15 -0.389 -11.683 -15.590 84 H LYS 16 H LYS 16 -4.040 -14.136 -14.675 85 HA LYS 16 HA LYS 16 -5.342 -14.136 -17.315 86 HB2 LYS 16 1HB LYS 16 -6.583 -16.218 -16.422 87 HB3 LYS 16 2HB LYS 16 -4.942 -16.416 -17.024 88 HG2 LYS 16 1HG LYS 16 -4.761 -17.594 -15.098 89 HG3 LYS 16 2HG LYS 16 -4.356 -15.994 -14.474 90 HD2 LYS 16 1HD LYS 16 -5.930 -16.676 -12.941 91 HD3 LYS 16 2HD LYS 16 -6.945 -15.819 -14.102 92 HE2 LYS 16 1HE LYS 16 -6.446 -18.784 -14.237 93 HE3 LYS 16 2HE LYS 16 -7.782 -18.080 -13.328 94 HZ1 LYS 16 1HZ LYS 16 -8.713 -18.560 -15.374 95 HZ2 LYS 16 2HZ LYS 16 -7.339 -18.094 -16.243 96 HZ3 LYS 16 3HZ LYS 16 -8.329 -16.921 -15.532 97 H ILE 17 H ILE 17 -5.597 -13.783 -13.853 98 HA ILE 17 HA ILE 17 -8.399 -13.455 -13.689 99 HB ILE 17 HB ILE 17 -6.140 -12.586 -11.904 100 HG12 ILE 17 1HG1 ILE 17 -6.694 -14.973 -11.943 101 HG13 ILE 17 2HG1 ILE 17 -7.115 -14.262 -10.389 102 HG21 ILE 17 1HG2 ILE 17 -9.052 -11.925 -11.701 103 HG22 ILE 17 2HG2 ILE 17 -8.069 -12.111 -10.251 104 HG23 ILE 17 3HG2 ILE 17 -7.651 -10.885 -11.447 105 HD11 ILE 17 1HD1 ILE 17 -8.783 -15.605 -12.321 106 HD12 ILE 17 2HD1 ILE 17 -9.103 -15.203 -10.633 107 HD13 ILE 17 3HD1 ILE 17 -9.422 -14.017 -11.899 108 H THR 18 H THR 18 -9.672 -11.611 -13.626 109 HA THR 18 HA THR 18 -8.414 -9.064 -14.352 110 HB THR 18 HB THR 18 -10.866 -10.097 -15.782 111 HG1 THR 18 1HG THR 18 -9.174 -10.095 -17.577 112 HG21 THR 18 1HG2 THR 18 -9.253 -7.598 -15.863 113 HG22 THR 18 2HG2 THR 18 -10.993 -7.826 -16.035 114 HG23 THR 18 3HG2 THR 18 -9.918 -8.204 -17.379 115 H ASP 19 H ASP 19 -9.042 -7.591 -12.930 116 HA ASP 19 HA ASP 19 -11.841 -7.514 -12.083 117 HB2 ASP 19 1HB ASP 19 -11.168 -7.151 -9.725 118 HB3 ASP 19 2HB ASP 19 -10.732 -8.754 -10.312 119 H ASP 20 H ASP 20 -12.294 -5.449 -10.839 120 HA ASP 20 HA ASP 20 -10.745 -3.252 -12.045 121 HB2 ASP 20 1HB ASP 20 -13.631 -3.152 -11.148 122 HB3 ASP 20 2HB ASP 20 -12.758 -1.931 -12.071 123 H SER 21 H SER 21 -9.571 -2.110 -10.671 124 HA SER 21 HA SER 21 -9.323 -2.430 -7.990 125 HB2 SER 21 1HB SER 21 -8.461 -0.071 -7.910 126 HB3 SER 21 2HB SER 21 -7.760 -1.052 -9.197 127 HG SER 21 HG SER 21 -8.346 0.632 -10.346 128 H ARG 22 H ARG 22 -11.508 -0.125 -9.583 129 HA ARG 22 HA ARG 22 -12.589 1.307 -7.614 130 HB2 ARG 22 1HB ARG 22 -14.792 1.142 -8.736 131 HB3 ARG 22 2HB ARG 22 -13.470 1.411 -9.864 132 HG2 ARG 22 1HG ARG 22 -13.492 -1.162 -10.129 133 HG3 ARG 22 2HG ARG 22 -15.106 -1.049 -9.425 134 HD2 ARG 22 1HD ARG 22 -15.676 0.619 -11.194 135 HD3 ARG 22 2HD ARG 22 -14.110 0.290 -11.935 136 HE ARG 22 HE ARG 22 -14.948 -1.680 -12.753 137 HH11 ARG 22 1HH1 ARG 22 -17.089 -0.450 -10.300 138 HH12 ARG 22 2HH1 ARG 22 -18.332 -1.615 -10.616 139 HH21 ARG 22 1HH2 ARG 22 -16.576 -3.219 -13.179 140 HH22 ARG 22 2HH2 ARG 22 -18.038 -3.190 -12.254 141 H ARG 23 H ARG 23 -13.242 -2.126 -8.136 142 HA ARG 23 HA ARG 23 -15.176 -2.362 -6.066 143 HB2 ARG 23 1HB ARG 23 -15.034 -3.973 -7.912 144 HB3 ARG 23 2HB ARG 23 -13.444 -4.479 -7.355 145 HG2 ARG 23 1HG ARG 23 -15.049 -6.101 -6.654 146 HG3 ARG 23 2HG ARG 23 -14.487 -5.226 -5.230 147 HD2 ARG 23 1HD ARG 23 -16.487 -4.118 -4.954 148 HD3 ARG 23 2HD ARG 23 -16.926 -4.272 -6.655 149 HE ARG 23 HE ARG 23 -16.828 -6.801 -5.338 150 HH11 ARG 23 1HH1 ARG 23 -18.789 -3.967 -5.828 151 HH12 ARG 23 2HH1 ARG 23 -20.285 -4.793 -5.543 152 HH21 ARG 23 1HH2 ARG 23 -18.791 -7.899 -4.959 153 HH22 ARG 23 2HH2 ARG 23 -20.285 -7.030 -5.047 154 H CYS 24 H CYS 24 -11.893 -3.757 -6.201 155 HA CYS 24 HA CYS 24 -11.515 -3.023 -3.391 156 HB2 CYS 24 1HB CYS 24 -10.746 -5.236 -2.788 157 HB3 CYS 24 2HB CYS 24 -12.364 -5.362 -3.468 158 HG CYS 24 HG CYS 24 -9.454 -6.586 -4.622 159 H SER 25 H SER 25 -9.173 -3.593 -2.721 160 HA SER 25 HA SER 25 -7.393 -2.848 -4.949 161 HB2 SER 25 1HB SER 25 -7.378 -2.044 -2.046 162 HB3 SER 25 2HB SER 25 -5.933 -1.900 -3.048 163 HG SER 25 HG SER 25 -8.356 -0.505 -3.192 164 H GLN 26 H GLN 26 -5.260 -3.710 -4.948 165 HA GLN 26 HA GLN 26 -4.921 -6.124 -3.297 166 HB2 GLN 26 1HB GLN 26 -5.551 -6.461 -5.789 167 HB3 GLN 26 2HB GLN 26 -3.898 -5.960 -6.117 168 HG2 GLN 26 1HG GLN 26 -3.034 -7.797 -4.828 169 HG3 GLN 26 2HG GLN 26 -4.662 -8.260 -4.334 170 HE21 GLN 26 1HE2 GLN 26 -4.159 -10.343 -5.210 171 HE22 GLN 26 2HE2 GLN 26 -4.293 -10.623 -6.910 172 H VAL 27 H VAL 27 -3.028 -6.293 -2.268 173 HA VAL 27 HA VAL 27 -0.720 -4.769 -3.233 174 HB VAL 27 HB VAL 27 -1.372 -4.723 -0.305 175 HG11 VAL 27 1HG1 VAL 27 0.662 -3.631 -2.059 176 HG12 VAL 27 2HG1 VAL 27 -0.097 -2.386 -1.065 177 HG13 VAL 27 3HG1 VAL 27 0.652 -3.789 -0.302 178 HG21 VAL 27 1HG2 VAL 27 -3.296 -3.674 -1.035 179 HG22 VAL 27 2HG2 VAL 27 -2.186 -2.313 -0.870 180 HG23 VAL 27 3HG2 VAL 27 -2.511 -2.997 -2.463 181 H LYS 28 H LYS 28 1.312 -5.445 -2.239 182 HA LYS 28 HA LYS 28 1.294 -8.316 -1.727 183 HB2 LYS 28 1HB LYS 28 3.676 -6.498 -2.115 184 HB3 LYS 28 2HB LYS 28 3.660 -8.255 -2.186 185 HG2 LYS 28 1HG LYS 28 2.228 -6.430 -4.107 186 HG3 LYS 28 2HG LYS 28 3.780 -7.216 -4.406 187 HD2 LYS 28 1HD LYS 28 2.478 -9.400 -3.849 188 HD3 LYS 28 2HD LYS 28 1.050 -8.424 -4.198 189 HE2 LYS 28 1HE LYS 28 2.073 -7.847 -6.399 190 HE3 LYS 28 2HE LYS 28 3.368 -8.990 -6.042 191 HZ1 LYS 28 1HZ LYS 28 1.384 -10.609 -5.679 192 HZ2 LYS 28 2HZ LYS 28 1.936 -10.284 -7.243 193 HZ3 LYS 28 3HZ LYS 28 0.546 -9.515 -6.661 194 H LEU 29 H LEU 29 1.199 -8.994 0.305 195 HA LEU 29 HA LEU 29 1.772 -7.305 2.530 196 HB2 LEU 29 1HB LEU 29 0.075 -9.140 2.495 197 HB3 LEU 29 2HB LEU 29 1.405 -10.295 2.517 198 HG LEU 29 HG LEU 29 2.098 -9.127 4.709 199 HD11 LEU 29 1HD1 LEU 29 -0.382 -7.753 4.066 200 HD12 LEU 29 2HD1 LEU 29 0.877 -7.338 5.229 201 HD13 LEU 29 3HD1 LEU 29 -0.394 -8.477 5.676 202 HD21 LEU 29 1HD2 LEU 29 -0.399 -10.469 5.337 203 HD22 LEU 29 2HD2 LEU 29 1.262 -10.945 5.691 204 HD23 LEU 29 3HD2 LEU 29 0.547 -11.337 4.127 205 H GLY 30 H GLY 30 3.755 -6.785 3.166 206 HA2 GLY 30 1HA GLY 30 5.776 -7.495 4.270 207 HA3 GLY 30 2HA GLY 30 5.795 -8.910 3.229 208 H SER 31 H SER 31 4.930 -6.274 1.402 209 HA SER 31 HA SER 31 7.708 -5.592 0.736 210 HB2 SER 31 1HB SER 31 5.581 -6.628 -1.121 211 HB3 SER 31 2HB SER 31 6.873 -5.588 -1.724 212 HG SER 31 HG SER 31 7.086 -8.075 -1.595 213 H ALA 32 H ALA 32 8.030 -3.525 -0.089 214 HA ALA 32 HA ALA 32 6.256 -1.529 0.805 215 HB1 ALA 32 1HB ALA 32 7.887 -0.063 0.261 216 HB2 ALA 32 2HB ALA 32 8.854 -1.534 0.141 217 HB3 ALA 32 3HB ALA 32 8.179 -0.802 -1.315 218 H ALA 33 H ALA 33 4.390 -0.922 -0.053 219 HA ALA 33 HA ALA 33 4.071 -1.063 -2.980 220 HB1 ALA 33 1HB ALA 33 2.036 -1.689 -0.849 221 HB2 ALA 33 2HB ALA 33 1.654 -1.509 -2.561 222 HB3 ALA 33 3HB ALA 33 2.730 -2.801 -2.029 223 H ASP 34 H ASP 34 3.309 0.715 -3.986 224 HA ASP 34 HA ASP 34 3.001 3.123 -2.397 225 HB2 ASP 34 1HB ASP 34 3.364 2.530 -5.307 226 HB3 ASP 34 2HB ASP 34 2.699 4.089 -4.827 227 H PHE 35 H PHE 35 1.187 4.475 -2.429 228 HA PHE 35 HA PHE 35 -1.279 3.278 -3.500 229 HB2 PHE 35 1HB PHE 35 -0.956 4.609 -0.802 230 HB3 PHE 35 2HB PHE 35 -2.479 4.046 -1.485 231 HD1 PHE 35 1HD PHE 35 0.885 2.874 -0.437 232 HD2 PHE 35 2HD PHE 35 -3.194 1.867 -1.123 233 HE1 PHE 35 1HE PHE 35 1.271 0.653 0.551 234 HE2 PHE 35 2HE PHE 35 -2.815 -0.355 -0.135 235 HZ PHE 35 HZ PHE 35 -0.580 -0.963 0.704 236 H LEU 36 H LEU 36 -2.374 4.599 -4.787 237 HA LEU 36 HA LEU 36 -1.610 7.409 -4.912 238 HB2 LEU 36 1HB LEU 36 -1.861 5.828 -6.922 239 HB3 LEU 36 2HB LEU 36 -3.595 6.044 -6.700 240 HG LEU 36 HG LEU 36 -2.894 8.609 -6.825 241 HD11 LEU 36 1HD1 LEU 36 -0.720 7.119 -8.265 242 HD12 LEU 36 2HD1 LEU 36 -0.566 8.405 -7.069 243 HD13 LEU 36 3HD1 LEU 36 -1.172 8.772 -8.683 244 HD21 LEU 36 1HD2 LEU 36 -3.071 7.012 -9.361 245 HD22 LEU 36 2HD2 LEU 36 -3.707 8.622 -9.023 246 HD23 LEU 36 3HD2 LEU 36 -4.453 7.206 -8.282 247 H LEU 37 H LEU 37 -2.666 8.781 -3.645 248 HA LEU 37 HA LEU 37 -5.565 8.403 -3.281 249 HB2 LEU 37 1HB LEU 37 -5.442 9.105 -1.076 250 HB3 LEU 37 2HB LEU 37 -4.024 8.075 -1.260 251 HG LEU 37 HG LEU 37 -3.959 11.088 -1.377 252 HD11 LEU 37 1HD1 LEU 37 -3.464 11.190 0.850 253 HD12 LEU 37 2HD1 LEU 37 -2.869 9.530 0.910 254 HD13 LEU 37 3HD1 LEU 37 -4.603 9.843 0.849 255 HD21 LEU 37 1HD2 LEU 37 -2.034 10.489 -2.437 256 HD22 LEU 37 2HD2 LEU 37 -1.946 8.921 -1.634 257 HD23 LEU 37 3HD2 LEU 37 -1.477 10.384 -0.767 258 H ASP 38 H ASP 38 -6.865 10.073 -3.767 259 HA ASP 38 HA ASP 38 -5.735 12.359 -5.090 260 HB2 ASP 38 1HB ASP 38 -7.770 11.413 -5.976 261 HB3 ASP 38 2HB ASP 38 -8.588 11.611 -4.428 262 H ILE 39 H ILE 39 -4.737 13.788 -3.786 263 HA ILE 39 HA ILE 39 -6.341 14.960 -1.612 264 HB ILE 39 HB ILE 39 -4.035 15.427 -0.525 265 HG12 ILE 39 1HG1 ILE 39 -3.285 12.898 -1.973 266 HG13 ILE 39 2HG1 ILE 39 -2.875 14.480 -2.627 267 HG21 ILE 39 1HG2 ILE 39 -5.224 12.657 -0.538 268 HG22 ILE 39 2HG2 ILE 39 -4.148 13.304 0.698 269 HG23 ILE 39 3HG2 ILE 39 -5.746 14.012 0.463 270 HD11 ILE 39 1HD1 ILE 39 -1.923 14.780 -0.153 271 HD12 ILE 39 2HD1 ILE 39 -1.754 13.032 -0.319 272 HD13 ILE 39 3HD1 ILE 39 -0.976 14.108 -1.479 273 H SER 40 H SER 40 -5.516 17.159 -0.970 274 HA SER 40 HA SER 40 -4.705 18.633 -3.387 275 HB2 SER 40 1HB SER 40 -6.325 19.599 -1.019 276 HB3 SER 40 2HB SER 40 -5.884 20.571 -2.422 277 HG SER 40 HG SER 40 -8.043 19.296 -2.247 278 H GLU 41 H GLU 41 -2.906 17.382 -1.451 279 HA GLU 41 HA GLU 41 -1.543 19.805 -0.473 280 HB2 GLU 41 1HB GLU 41 -1.315 17.062 0.765 281 HB3 GLU 41 2HB GLU 41 -0.696 18.579 1.403 282 HG2 GLU 41 1HG GLU 41 -3.627 18.108 0.984 283 HG3 GLU 41 2HG GLU 41 -2.799 17.634 2.465 284 H THR 42 H THR 42 0.343 20.190 -1.409 285 HA THR 42 HA THR 42 1.581 18.131 -3.048 286 HB THR 42 HB THR 42 1.316 20.374 -4.005 287 HG1 THR 42 1HG THR 42 3.886 19.295 -3.583 288 HG21 THR 42 1HG2 THR 42 3.338 21.318 -1.977 289 HG22 THR 42 2HG2 THR 42 1.602 21.575 -1.807 290 HG23 THR 42 3HG2 THR 42 2.470 22.284 -3.168 291 H ASP 43 H ASP 43 2.481 20.288 -0.370 292 HA ASP 43 HA ASP 43 5.106 19.574 -0.004 293 HB2 ASP 43 1HB ASP 43 3.508 21.217 1.317 294 HB3 ASP 43 2HB ASP 43 3.385 19.852 2.423 295 H LEU 44 H LEU 44 5.954 18.262 1.926 296 HA LEU 44 HA LEU 44 4.473 15.745 2.226 297 HB2 LEU 44 1HB LEU 44 7.186 16.163 1.101 298 HB3 LEU 44 2HB LEU 44 6.945 14.764 2.146 299 HG LEU 44 HG LEU 44 4.890 14.382 0.493 300 HD11 LEU 44 1HD1 LEU 44 4.924 15.898 -1.154 301 HD12 LEU 44 2HD1 LEU 44 6.238 14.923 -1.809 302 HD13 LEU 44 3HD1 LEU 44 6.601 16.350 -0.840 303 HD21 LEU 44 1HD2 LEU 44 7.713 13.529 0.493 304 HD22 LEU 44 2HD2 LEU 44 6.803 13.192 -0.980 305 HD23 LEU 44 3HD2 LEU 44 6.233 12.571 0.570 306 H SER 45 H SER 45 7.172 17.747 3.346 307 HA SER 45 HA SER 45 7.495 16.352 5.812 308 HB2 SER 45 1HB SER 45 8.988 18.186 6.428 309 HB3 SER 45 2HB SER 45 9.315 17.670 4.774 310 HG SER 45 HG SER 45 7.711 19.462 4.271 311 H SER 46 H SER 46 5.683 19.182 4.783 312 HA SER 46 HA SER 46 4.929 20.013 7.401 313 HB2 SER 46 1HB SER 46 3.713 20.632 4.700 314 HB3 SER 46 2HB SER 46 3.264 21.431 6.206 315 HG SER 46 HG SER 46 5.672 21.853 6.310 316 H LEU 47 H LEU 47 4.040 17.376 5.563 317 HA LEU 47 HA LEU 47 1.365 17.210 6.762 318 HB2 LEU 47 1HB LEU 47 2.634 15.633 4.530 319 HB3 LEU 47 2HB LEU 47 1.022 15.332 5.174 320 HG LEU 47 HG LEU 47 1.925 17.835 3.749 321 HD11 LEU 47 1HD1 LEU 47 -0.231 16.521 2.473 322 HD12 LEU 47 2HD1 LEU 47 1.022 15.318 2.777 323 HD13 LEU 47 3HD1 LEU 47 1.406 16.783 1.871 324 HD21 LEU 47 1HD2 LEU 47 0.262 18.739 4.968 325 HD22 LEU 47 2HD2 LEU 47 -0.453 17.174 5.353 326 HD23 LEU 47 3HD2 LEU 47 -0.773 17.929 3.791 327 H THR 48 H THR 48 0.718 14.893 7.355 328 HA THR 48 HA THR 48 2.948 13.603 8.791 329 HB THR 48 HB THR 48 0.884 12.821 10.298 330 HG1 THR 48 1HG THR 48 0.113 15.480 9.777 331 HG21 THR 48 1HG2 THR 48 1.971 13.979 11.875 332 HG22 THR 48 2HG2 THR 48 1.634 15.519 11.083 333 HG23 THR 48 3HG2 THR 48 3.020 14.554 10.580 334 H ALA 49 H ALA 49 2.914 11.341 8.965 335 HA ALA 49 HA ALA 49 0.891 9.919 7.388 336 HB1 ALA 49 1HB ALA 49 3.241 8.568 6.806 337 HB2 ALA 49 2HB ALA 49 2.331 9.617 5.717 338 HB3 ALA 49 3HB ALA 49 3.670 10.273 6.658 339 H SER 50 H SER 50 0.031 8.424 8.656 340 HA SER 50 HA SER 50 1.772 6.755 10.302 341 HB2 SER 50 1HB SER 50 -0.657 8.174 11.425 342 HB3 SER 50 2HB SER 50 0.353 7.012 12.285 343 HG SER 50 HG SER 50 0.766 9.669 11.808 344 H ILE 51 H ILE 51 1.192 4.673 10.244 345 HA ILE 51 HA ILE 51 -1.552 3.998 9.429 346 HB ILE 51 HB ILE 51 0.966 2.722 8.355 347 HG12 ILE 51 1HG1 ILE 51 -1.211 4.233 6.898 348 HG13 ILE 51 2HG1 ILE 51 0.328 4.940 7.379 349 HG21 ILE 51 1HG2 ILE 51 -1.844 1.845 8.424 350 HG22 ILE 51 2HG2 ILE 51 -1.030 1.691 6.867 351 HG23 ILE 51 3HG2 ILE 51 -0.361 0.900 8.294 352 HD11 ILE 51 1HD1 ILE 51 1.338 4.124 5.589 353 HD12 ILE 51 2HD1 ILE 51 0.724 2.500 5.901 354 HD13 ILE 51 3HD1 ILE 51 -0.253 3.654 4.994 355 H LYS 52 H LYS 52 -2.459 2.275 10.444 356 HA LYS 52 HA LYS 52 -0.773 0.582 12.138 357 HB2 LYS 52 1HB LYS 52 -1.502 2.244 13.687 358 HB3 LYS 52 2HB LYS 52 -3.147 2.192 13.069 359 HG2 LYS 52 1HG LYS 52 -3.428 0.960 14.950 360 HG3 LYS 52 2HG LYS 52 -2.966 -0.333 13.842 361 HD2 LYS 52 1HD LYS 52 -1.512 -0.799 15.526 362 HD3 LYS 52 2HD LYS 52 -0.533 0.389 14.661 363 HE2 LYS 52 1HE LYS 52 -1.744 2.103 16.198 364 HE3 LYS 52 2HE LYS 52 -2.086 0.694 17.200 365 HZ1 LYS 52 1HZ LYS 52 0.175 0.323 17.568 366 HZ2 LYS 52 2HZ LYS 52 0.011 2.000 17.707 367 HZ3 LYS 52 3HZ LYS 52 0.657 1.329 16.295 368 H ALA 53 H ALA 53 -1.260 -1.492 11.866 369 HA ALA 53 HA ALA 53 -3.367 -2.340 10.183 370 HB1 ALA 53 1HB ALA 53 -1.054 -3.473 11.228 371 HB2 ALA 53 2HB ALA 53 -2.368 -4.451 11.882 372 HB3 ALA 53 3HB ALA 53 -2.210 -4.238 10.139 373 HA PRO 54 HA PRO 54 -6.782 -3.059 12.844 374 HB2 PRO 54 1HB PRO 54 -7.637 -5.541 12.149 375 HB3 PRO 54 2HB PRO 54 -7.833 -4.130 11.103 376 HG2 PRO 54 1HG PRO 54 -5.759 -6.288 11.006 377 HG3 PRO 54 2HG PRO 54 -6.656 -5.536 9.673 378 HD2 PRO 54 1HD PRO 54 -4.113 -4.842 10.294 379 HD3 PRO 54 2HD PRO 54 -5.284 -3.684 9.628 380 H SER 55 H SER 55 -4.042 -5.075 13.076 381 HA SER 55 HA SER 55 -5.052 -6.442 15.462 382 HB2 SER 55 1HB SER 55 -2.627 -6.869 13.720 383 HB3 SER 55 2HB SER 55 -2.804 -7.661 15.285 384 HG SER 55 HG SER 55 -3.635 -9.032 13.755 385 H GLY 56 H GLY 56 -3.925 -3.532 14.963 386 HA2 GLY 56 1HA GLY 56 -3.053 -1.985 16.443 387 HA3 GLY 56 2HA GLY 56 -2.823 -3.284 17.604 388 H ARG 57 H ARG 57 -1.511 -3.574 14.405 389 HA ARG 57 HA ARG 57 1.184 -3.289 15.545 390 HB2 ARG 57 1HB ARG 57 0.352 -4.755 13.035 391 HB3 ARG 57 2HB ARG 57 1.955 -4.746 13.758 392 HG2 ARG 57 1HG ARG 57 -0.390 -5.722 15.328 393 HG3 ARG 57 2HG ARG 57 0.389 -6.768 14.140 394 HD2 ARG 57 1HD ARG 57 1.785 -5.395 16.434 395 HD3 ARG 57 2HD ARG 57 1.280 -7.084 16.417 396 HE ARG 57 HE ARG 57 2.998 -7.567 14.917 397 HH11 ARG 57 1HH1 ARG 57 2.858 -4.166 15.648 398 HH12 ARG 57 2HH1 ARG 57 4.426 -3.828 14.995 399 HH21 ARG 57 1HH2 ARG 57 5.065 -7.134 14.053 400 HH22 ARG 57 2HH2 ARG 57 5.680 -5.515 14.087 401 H ASP 58 H ASP 58 2.092 -1.396 15.109 402 HA ASP 58 HA ASP 58 1.240 0.312 13.005 403 HB2 ASP 58 1HB ASP 58 2.114 1.495 14.797 404 HB3 ASP 58 2HB ASP 58 3.451 0.370 15.021 405 H GLU 59 H GLU 59 2.462 1.039 11.188 406 HA GLU 59 HA GLU 59 4.544 -0.830 10.279 407 HB2 GLU 59 1HB GLU 59 2.286 0.262 8.590 408 HB3 GLU 59 2HB GLU 59 3.605 -0.744 8.009 409 HG2 GLU 59 1HG GLU 59 1.432 -1.525 9.934 410 HG3 GLU 59 2HG GLU 59 1.665 -2.106 8.287 411 HA PRO 60 HA PRO 60 6.880 2.797 9.414 412 HB2 PRO 60 1HB PRO 60 8.597 1.781 7.573 413 HB3 PRO 60 2HB PRO 60 8.708 1.410 9.297 414 HG2 PRO 60 1HG PRO 60 7.504 -0.208 7.085 415 HG3 PRO 60 2HG PRO 60 8.529 -0.740 8.430 416 HD2 PRO 60 1HD PRO 60 5.839 -1.045 8.440 417 HD3 PRO 60 2HD PRO 60 6.773 -0.767 9.923 418 H CYS 61 H CYS 61 5.392 4.161 8.407 419 HA CYS 61 HA CYS 61 4.990 3.844 5.524 420 HB2 CYS 61 1HB CYS 61 3.280 5.639 5.816 421 HB3 CYS 61 2HB CYS 61 2.959 4.198 6.774 422 HG CYS 61 HG CYS 61 3.208 5.268 9.156 423 H LEU 62 H LEU 62 5.642 5.346 4.035 424 HA LEU 62 HA LEU 62 7.108 7.695 5.006 425 HB2 LEU 62 1HB LEU 62 8.521 5.587 4.319 426 HB3 LEU 62 2HB LEU 62 8.192 6.167 2.687 427 HG LEU 62 HG LEU 62 10.399 6.856 3.707 428 HD11 LEU 62 1HD1 LEU 62 8.868 9.320 3.071 429 HD12 LEU 62 2HD1 LEU 62 8.931 8.042 1.858 430 HD13 LEU 62 3HD1 LEU 62 10.425 8.762 2.458 431 HD21 LEU 62 1HD2 LEU 62 9.105 9.081 5.116 432 HD22 LEU 62 2HD2 LEU 62 10.530 8.135 5.548 433 HD23 LEU 62 3HD2 LEU 62 8.917 7.507 5.888 434 H LEU 63 H LEU 63 6.309 9.456 4.090 435 HA LEU 63 HA LEU 63 4.599 9.295 1.784 436 HB2 LEU 63 1HB LEU 63 5.590 11.623 3.417 437 HB3 LEU 63 2HB LEU 63 4.467 11.779 2.067 438 HG LEU 63 HG LEU 63 3.882 10.123 4.514 439 HD11 LEU 63 1HD1 LEU 63 4.222 12.433 5.198 440 HD12 LEU 63 2HD1 LEU 63 2.515 11.998 5.286 441 HD13 LEU 63 3HD1 LEU 63 3.108 12.981 3.946 442 HD21 LEU 63 1HD2 LEU 63 2.311 11.062 2.140 443 HD22 LEU 63 2HD2 LEU 63 1.513 10.643 3.656 444 HD23 LEU 63 3HD2 LEU 63 2.466 9.433 2.798 445 H LYS 64 H LYS 64 4.959 10.108 -0.257 446 HA LYS 64 HA LYS 64 7.527 11.331 -0.875 447 HB2 LYS 64 1HB LYS 64 8.170 9.730 -2.521 448 HB3 LYS 64 2HB LYS 64 7.814 8.833 -1.050 449 HG2 LYS 64 1HG LYS 64 5.433 8.625 -2.145 450 HG3 LYS 64 2HG LYS 64 6.342 8.914 -3.631 451 HD2 LYS 64 1HD LYS 64 7.286 6.860 -1.673 452 HD3 LYS 64 2HD LYS 64 5.977 6.476 -2.791 453 HE2 LYS 64 1HE LYS 64 7.477 7.222 -4.656 454 HE3 LYS 64 2HE LYS 64 8.780 7.347 -3.476 455 HZ1 LYS 64 1HZ LYS 64 7.261 4.838 -3.798 456 HZ2 LYS 64 2HZ LYS 64 8.803 5.065 -3.142 457 HZ3 LYS 64 3HZ LYS 64 8.566 5.198 -4.811 458 H ARG 65 H ARG 65 7.588 11.712 -3.392 459 HA ARG 65 HA ARG 65 4.952 12.797 -4.128 460 HB2 ARG 65 1HB ARG 65 6.428 14.614 -3.916 461 HB3 ARG 65 2HB ARG 65 7.751 13.742 -4.677 462 HG2 ARG 65 1HG ARG 65 7.036 15.332 -6.251 463 HG3 ARG 65 2HG ARG 65 6.387 13.786 -6.804 464 HD2 ARG 65 1HD ARG 65 4.216 14.329 -6.158 465 HD3 ARG 65 2HD ARG 65 4.759 15.599 -5.063 466 HE ARG 65 HE ARG 65 4.126 15.892 -7.807 467 HH11 ARG 65 1HH1 ARG 65 6.347 17.000 -5.367 468 HH12 ARG 65 2HH1 ARG 65 6.632 18.527 -6.133 469 HH21 ARG 65 1HH2 ARG 65 4.493 17.899 -8.826 470 HH22 ARG 65 2HH2 ARG 65 5.576 19.038 -8.101 471 H LEU 66 H LEU 66 3.939 11.747 -5.694 472 HA LEU 66 HA LEU 66 5.417 9.971 -7.458 473 HB2 LEU 66 1HB LEU 66 2.478 10.468 -7.042 474 HB3 LEU 66 2HB LEU 66 3.110 9.370 -8.269 475 HG LEU 66 HG LEU 66 3.592 9.059 -5.307 476 HD11 LEU 66 1HD1 LEU 66 1.197 8.851 -5.920 477 HD12 LEU 66 2HD1 LEU 66 1.904 7.353 -5.317 478 HD13 LEU 66 3HD1 LEU 66 1.634 7.568 -7.047 479 HD21 LEU 66 1HD2 LEU 66 4.374 7.553 -7.747 480 HD22 LEU 66 2HD2 LEU 66 3.979 6.637 -6.290 481 HD23 LEU 66 3HD2 LEU 66 5.270 7.839 -6.256 482 HA PRO 67 HA PRO 67 5.488 12.594 -10.978 483 HB2 PRO 67 1HB PRO 67 5.204 10.788 -12.985 484 HB3 PRO 67 2HB PRO 67 6.687 10.944 -12.035 485 HG2 PRO 67 1HG PRO 67 4.459 8.964 -11.757 486 HG3 PRO 67 2HG PRO 67 6.210 8.697 -11.675 487 HD2 PRO 67 1HD PRO 67 4.659 8.878 -9.462 488 HD3 PRO 67 2HD PRO 67 6.346 9.428 -9.493 489 H ASN 68 H ASN 68 4.251 12.606 -13.306 490 HA ASN 68 HA ASN 68 2.338 13.339 -14.306 491 HB2 ASN 68 1HB ASN 68 1.568 10.784 -12.955 492 HB3 ASN 68 2HB ASN 68 0.308 11.750 -13.717 493 HD21 ASN 68 1HD2 ASN 68 3.322 10.049 -14.267 494 HD22 ASN 68 2HD2 ASN 68 3.092 9.802 -15.961 495 H ASN 69 H ASN 69 2.994 14.479 -11.692 496 HA ASN 69 HA ASN 69 2.115 15.916 -10.165 497 HB2 ASN 69 1HB ASN 69 0.097 15.949 -12.367 498 HB3 ASN 69 2HB ASN 69 -0.311 16.740 -10.846 499 HD21 ASN 69 1HD2 ASN 69 1.343 16.986 -13.779 500 HD22 ASN 69 2HD2 ASN 69 2.146 18.486 -13.484 501 H HIS 70 H HIS 70 1.946 13.291 -9.439 502 HA HIS 70 HA HIS 70 -0.617 13.214 -7.992 503 HB2 HIS 70 1HB HIS 70 0.875 10.824 -9.095 504 HB3 HIS 70 2HB HIS 70 -0.623 10.772 -8.171 505 HD1 HIS 70 1HD HIS 70 -1.924 13.224 -9.780 506 HD2 HIS 70 2HD HIS 70 -0.275 9.769 -11.395 507 HE1 HIS 70 1HE HIS 70 -2.988 12.965 -12.043 508 HE2 HIS 70 2HE HIS 70 -2.039 10.822 -12.966 509 H ILE 71 H ILE 71 -0.514 11.861 -5.998 510 HA ILE 71 HA ILE 71 2.164 11.672 -4.831 511 HB ILE 71 HB ILE 71 -0.129 13.134 -3.517 512 HG12 ILE 71 1HG1 ILE 71 2.597 14.198 -4.258 513 HG13 ILE 71 2HG1 ILE 71 1.200 14.339 -5.319 514 HG21 ILE 71 1HG2 ILE 71 1.078 11.846 -1.877 515 HG22 ILE 71 2HG2 ILE 71 2.619 12.450 -2.485 516 HG23 ILE 71 3HG2 ILE 71 1.492 13.551 -1.693 517 HD11 ILE 71 1HD1 ILE 71 1.985 16.042 -3.216 518 HD12 ILE 71 2HD1 ILE 71 0.563 16.163 -4.253 519 HD13 ILE 71 3HD1 ILE 71 0.474 15.272 -2.734 520 H GLY 72 H GLY 72 2.375 10.141 -3.198 521 HA2 GLY 72 1HA GLY 72 0.050 8.749 -2.186 522 HA3 GLY 72 2HA GLY 72 1.027 7.805 -3.301 523 H ILE 73 H ILE 73 0.683 6.881 -0.775 524 HA ILE 73 HA ILE 73 3.114 7.606 0.698 525 HB ILE 73 HB ILE 73 0.972 7.589 1.947 526 HG12 ILE 73 1HG1 ILE 73 2.564 5.322 3.064 527 HG13 ILE 73 2HG1 ILE 73 3.365 6.872 2.835 528 HG21 ILE 73 1HG2 ILE 73 0.442 4.963 2.484 529 HG22 ILE 73 2HG2 ILE 73 -0.465 5.977 1.363 530 HG23 ILE 73 3HG2 ILE 73 0.815 4.922 0.761 531 HD11 ILE 73 1HD1 ILE 73 1.048 7.588 4.094 532 HD12 ILE 73 2HD1 ILE 73 1.434 6.038 4.843 533 HD13 ILE 73 3HD1 ILE 73 2.612 7.350 4.871 534 H SER 74 H SER 74 4.504 5.949 1.522 535 HA SER 74 HA SER 74 4.366 3.402 0.053 536 HB2 SER 74 1HB SER 74 6.053 4.986 -0.938 537 HB3 SER 74 2HB SER 74 6.926 4.922 0.594 538 HG SER 74 HG SER 74 6.279 2.622 -0.930 539 H PHE 75 H PHE 75 4.115 1.825 1.478 540 HA PHE 75 HA PHE 75 5.878 1.672 3.782 541 HB2 PHE 75 1HB PHE 75 4.248 1.629 5.443 542 HB3 PHE 75 2HB PHE 75 3.656 2.897 4.375 543 HD1 PHE 75 1HD PHE 75 1.754 2.468 2.878 544 HD2 PHE 75 2HD PHE 75 3.056 -0.410 5.733 545 HE1 PHE 75 1HE PHE 75 -0.387 1.275 2.648 546 HE2 PHE 75 2HE PHE 75 0.918 -1.606 5.507 547 HZ PHE 75 HZ PHE 75 -0.806 -0.765 3.963 548 H ILE 76 H ILE 76 5.746 -0.449 4.865 549 HA ILE 76 HA ILE 76 5.046 -2.540 2.917 550 HB ILE 76 HB ILE 76 6.930 -2.789 5.262 551 HG12 ILE 76 1HG1 ILE 76 7.720 -2.496 2.367 552 HG13 ILE 76 2HG1 ILE 76 7.604 -1.115 3.450 553 HG21 ILE 76 1HG2 ILE 76 7.529 -4.616 3.215 554 HG22 ILE 76 2HG2 ILE 76 6.846 -4.959 4.803 555 HG23 ILE 76 3HG2 ILE 76 5.780 -4.667 3.429 556 HD11 ILE 76 1HD1 ILE 76 9.268 -2.186 4.924 557 HD12 ILE 76 2HD1 ILE 76 9.434 -3.483 3.740 558 HD13 ILE 76 3HD1 ILE 76 9.885 -1.833 3.309 559 HA PRO 77 HA PRO 77 1.807 -3.326 5.983 560 HB2 PRO 77 1HB PRO 77 0.295 -4.831 4.304 561 HB3 PRO 77 2HB PRO 77 0.272 -3.063 4.294 562 HG2 PRO 77 1HG PRO 77 1.739 -4.949 2.490 563 HG3 PRO 77 2HG PRO 77 0.845 -3.474 2.079 564 HD2 PRO 77 1HD PRO 77 3.545 -3.534 2.278 565 HD3 PRO 77 2HD PRO 77 2.589 -2.096 2.690 566 H ARG 78 H ARG 78 1.594 -5.011 7.356 567 HA ARG 78 HA ARG 78 2.955 -7.520 6.633 568 HB2 ARG 78 1HB ARG 78 2.447 -6.353 9.376 569 HB3 ARG 78 2HB ARG 78 3.273 -7.871 9.047 570 HG2 ARG 78 1HG ARG 78 4.316 -5.383 7.797 571 HG3 ARG 78 2HG ARG 78 4.609 -5.663 9.514 572 HD2 ARG 78 1HD ARG 78 5.374 -7.464 7.221 573 HD3 ARG 78 2HD ARG 78 6.464 -6.522 8.237 574 HE ARG 78 HE ARG 78 5.000 -8.217 9.897 575 HH11 ARG 78 1HH1 ARG 78 7.378 -8.432 7.364 576 HH12 ARG 78 2HH1 ARG 78 8.063 -9.910 7.954 577 HH21 ARG 78 1HH2 ARG 78 5.893 -10.162 10.683 578 HH22 ARG 78 2HH2 ARG 78 7.216 -10.894 9.841 579 H GLU 79 H GLU 79 0.021 -6.093 7.860 580 HA GLU 79 HA GLU 79 -1.193 -8.770 8.041 581 HB2 GLU 79 1HB GLU 79 -1.300 -7.558 10.143 582 HB3 GLU 79 2HB GLU 79 -2.022 -6.171 9.342 583 HG2 GLU 79 1HG GLU 79 -3.802 -7.246 10.394 584 HG3 GLU 79 2HG GLU 79 -3.926 -7.728 8.703 585 H VAL 80 H VAL 80 -3.301 -9.079 7.175 586 HA VAL 80 HA VAL 80 -3.881 -7.276 4.924 587 HB VAL 80 HB VAL 80 -5.090 -9.139 3.909 588 HG11 VAL 80 1HG1 VAL 80 -2.678 -10.624 4.521 589 HG12 VAL 80 2HG1 VAL 80 -3.193 -9.885 3.004 590 HG13 VAL 80 3HG1 VAL 80 -2.344 -8.921 4.213 591 HG21 VAL 80 1HG2 VAL 80 -4.965 -11.390 4.934 592 HG22 VAL 80 2HG2 VAL 80 -4.279 -10.660 6.386 593 HG23 VAL 80 3HG2 VAL 80 -5.919 -10.250 5.882 594 H GLY 81 H GLY 81 -5.788 -6.236 4.771 595 HA2 GLY 81 1HA GLY 81 -8.281 -6.841 5.516 596 HA3 GLY 81 2HA GLY 81 -7.578 -6.378 7.058 597 H GLU 82 H GLU 82 -8.648 -4.507 7.452 598 HA GLU 82 HA GLU 82 -8.557 -2.423 5.380 599 HB2 GLU 82 1HB GLU 82 -10.802 -2.966 6.162 600 HB3 GLU 82 2HB GLU 82 -10.317 -2.671 7.826 601 HG2 GLU 82 1HG GLU 82 -9.902 -0.318 7.275 602 HG3 GLU 82 2HG GLU 82 -10.434 -0.625 5.622 603 H HIS 83 H HIS 83 -6.785 -1.215 5.617 604 HA HIS 83 HA HIS 83 -5.821 -0.564 8.300 605 HB2 HIS 83 1HB HIS 83 -4.609 -0.332 5.552 606 HB3 HIS 83 2HB HIS 83 -3.890 0.465 6.949 607 HD1 HIS 83 1HD HIS 83 -5.378 -3.010 6.963 608 HD2 HIS 83 2HD HIS 83 -1.682 -1.133 7.241 609 HE1 HIS 83 1HE HIS 83 -3.746 -4.825 7.568 610 HE2 HIS 83 2HE HIS 83 -1.532 -3.651 7.814 611 H LEU 84 H LEU 84 -5.370 1.600 8.927 612 HA LEU 84 HA LEU 84 -6.915 3.621 7.439 613 HB2 LEU 84 1HB LEU 84 -6.719 3.073 10.374 614 HB3 LEU 84 2HB LEU 84 -7.096 4.694 9.796 615 HG LEU 84 HG LEU 84 -8.720 2.252 9.101 616 HD11 LEU 84 1HD1 LEU 84 -9.608 2.317 11.129 617 HD12 LEU 84 2HD1 LEU 84 -10.134 3.973 10.825 618 HD13 LEU 84 3HD1 LEU 84 -8.566 3.671 11.574 619 HD21 LEU 84 1HD2 LEU 84 -10.407 4.239 8.780 620 HD22 LEU 84 2HD2 LEU 84 -9.271 3.799 7.504 621 HD23 LEU 84 3HD2 LEU 84 -8.927 5.173 8.557 622 H VAL 85 H VAL 85 -5.637 5.110 6.583 623 HA VAL 85 HA VAL 85 -3.007 5.613 7.754 624 HB VAL 85 HB VAL 85 -4.085 6.757 5.181 625 HG11 VAL 85 1HG1 VAL 85 -2.122 7.785 5.064 626 HG12 VAL 85 2HG1 VAL 85 -1.693 7.134 6.647 627 HG13 VAL 85 3HG1 VAL 85 -1.285 6.237 5.184 628 HG21 VAL 85 1HG2 VAL 85 -2.654 4.868 4.165 629 HG22 VAL 85 2HG2 VAL 85 -2.838 4.088 5.737 630 HG23 VAL 85 3HG2 VAL 85 -4.263 4.472 4.771 631 H SER 86 H SER 86 -2.892 7.157 9.240 632 HA SER 86 HA SER 86 -4.812 9.336 9.267 633 HB2 SER 86 1HB SER 86 -2.519 9.125 11.189 634 HB3 SER 86 2HB SER 86 -4.151 9.736 11.461 635 HG SER 86 HG SER 86 -4.506 7.821 12.244 636 H ILE 87 H ILE 87 -4.405 10.904 7.833 637 HA ILE 87 HA ILE 87 -1.652 11.942 7.660 638 HB ILE 87 HB ILE 87 -3.796 12.346 5.583 639 HG12 ILE 87 1HG1 ILE 87 -3.476 9.984 5.646 640 HG13 ILE 87 2HG1 ILE 87 -2.525 10.580 4.289 641 HG21 ILE 87 1HG2 ILE 87 -0.795 12.577 5.421 642 HG22 ILE 87 2HG2 ILE 87 -1.951 12.959 4.147 643 HG23 ILE 87 3HG2 ILE 87 -1.906 13.931 5.617 644 HD11 ILE 87 1HD1 ILE 87 -1.687 9.145 6.647 645 HD12 ILE 87 2HD1 ILE 87 -0.827 9.436 5.135 646 HD13 ILE 87 3HD1 ILE 87 -0.769 10.634 6.427 647 H LYS 88 H LYS 88 -1.304 13.916 8.423 648 HA LYS 88 HA LYS 88 -3.501 15.856 8.457 649 HB2 LYS 88 1HB LYS 88 -1.675 15.689 10.824 650 HB3 LYS 88 2HB LYS 88 -3.290 16.376 10.712 651 HG2 LYS 88 1HG LYS 88 -4.321 14.295 10.848 652 HG3 LYS 88 2HG LYS 88 -2.846 13.431 10.406 653 HD2 LYS 88 1HD LYS 88 -1.847 14.221 12.566 654 HD3 LYS 88 2HD LYS 88 -3.440 14.843 13.004 655 HE2 LYS 88 1HE LYS 88 -4.215 12.411 12.435 656 HE3 LYS 88 2HE LYS 88 -2.517 12.018 12.698 657 HZ1 LYS 88 1HZ LYS 88 -2.995 11.936 14.847 658 HZ2 LYS 88 2HZ LYS 88 -4.548 12.562 14.608 659 HZ3 LYS 88 3HZ LYS 88 -3.237 13.611 14.820 660 H LYS 89 H LYS 89 -2.514 18.063 9.300 661 HA LYS 89 HA LYS 89 0.140 18.437 8.088 662 HB2 LYS 89 1HB LYS 89 -1.445 19.168 6.427 663 HB3 LYS 89 2HB LYS 89 -2.329 20.113 7.619 664 HG2 LYS 89 1HG LYS 89 -0.427 21.610 7.866 665 HG3 LYS 89 2HG LYS 89 0.490 20.650 6.702 666 HD2 LYS 89 1HD LYS 89 -2.167 21.850 5.988 667 HD3 LYS 89 2HD LYS 89 -0.676 22.787 5.869 668 HE2 LYS 89 1HE LYS 89 0.192 20.751 4.516 669 HE3 LYS 89 2HE LYS 89 -1.515 20.355 4.338 670 HZ1 LYS 89 1HZ LYS 89 -1.445 22.978 3.707 671 HZ2 LYS 89 2HZ LYS 89 -1.423 21.712 2.585 672 HZ3 LYS 89 3HZ LYS 89 0.027 22.432 3.076 673 H ASN 90 H ASN 90 1.340 18.886 9.842 674 HA ASN 90 HA ASN 90 2.160 19.990 11.652 675 HB2 ASN 90 1HB ASN 90 0.477 22.041 10.303 676 HB3 ASN 90 2HB ASN 90 1.010 22.387 11.945 677 HD21 ASN 90 1HD2 ASN 90 1.813 22.495 8.703 678 HD22 ASN 90 2HD2 ASN 90 3.499 22.836 8.863 679 H GLY 91 H GLY 91 -0.162 18.235 11.920 680 HA2 GLY 91 1HA GLY 91 -1.153 17.514 13.937 681 HA3 GLY 91 2HA GLY 91 -0.994 19.147 14.570 682 H ASN 92 H ASN 92 -2.256 18.915 11.401 683 HA ASN 92 HA ASN 92 -5.010 19.107 12.416 684 HB2 ASN 92 1HB ASN 92 -3.714 20.903 10.355 685 HB3 ASN 92 2HB ASN 92 -5.438 20.882 10.716 686 HD21 ASN 92 1HD2 ASN 92 -2.283 21.283 12.266 687 HD22 ASN 92 2HD2 ASN 92 -2.804 22.461 13.418 688 H HIS 93 H HIS 93 -5.889 17.268 11.684 689 HA HIS 93 HA HIS 93 -5.227 15.640 9.645 690 HB2 HIS 93 1HB HIS 93 -7.845 16.349 10.869 691 HB3 HIS 93 2HB HIS 93 -7.876 15.396 9.387 692 HD1 HIS 93 1HD HIS 93 -7.204 12.954 9.548 693 HD2 HIS 93 2HD HIS 93 -6.640 15.042 13.095 694 HE1 HIS 93 1HE HIS 93 -6.704 11.206 11.285 695 HE2 HIS 93 2HE HIS 93 -6.451 12.485 13.439 696 H VAL 94 H VAL 94 -5.588 15.443 7.450 697 HA VAL 94 HA VAL 94 -6.276 17.949 6.082 698 HB VAL 94 HB VAL 94 -5.072 17.115 4.164 699 HG11 VAL 94 1HG1 VAL 94 -3.081 17.683 5.011 700 HG12 VAL 94 2HG1 VAL 94 -3.922 17.815 6.556 701 HG13 VAL 94 3HG1 VAL 94 -3.073 16.326 6.137 702 HG21 VAL 94 1HG2 VAL 94 -4.515 14.966 3.792 703 HG22 VAL 94 2HG2 VAL 94 -4.037 14.691 5.468 704 HG23 VAL 94 3HG2 VAL 94 -5.740 14.628 5.015 705 H ALA 95 H ALA 95 -6.996 17.255 3.645 706 HA ALA 95 HA ALA 95 -9.632 16.199 3.991 707 HB1 ALA 95 1HB ALA 95 -9.322 17.993 2.439 708 HB2 ALA 95 2HB ALA 95 -8.126 17.067 1.530 709 HB3 ALA 95 3HB ALA 95 -9.817 16.564 1.532 710 H ASN 96 H ASN 96 -10.480 14.270 3.321 711 HA ASN 96 HA ASN 96 -10.572 12.093 2.658 712 HB2 ASN 96 1HB ASN 96 -7.931 12.562 1.264 713 HB3 ASN 96 2HB ASN 96 -9.113 11.302 0.918 714 HD21 ASN 96 1HD2 ASN 96 -8.171 14.546 0.384 715 HD22 ASN 96 2HD2 ASN 96 -9.438 14.971 -0.710 716 H SER 97 H SER 97 -9.223 12.974 5.109 717 HA SER 97 HA SER 97 -7.627 10.548 5.578 718 HB2 SER 97 1HB SER 97 -6.058 12.403 5.420 719 HB3 SER 97 2HB SER 97 -7.000 13.334 6.585 720 HG SER 97 HG SER 97 -6.447 11.865 8.172 721 HA PRO 98 HA PRO 98 -6.620 9.608 7.318 722 HB2 PRO 98 1HB PRO 98 -7.408 7.192 8.272 723 HB3 PRO 98 2HB PRO 98 -6.762 8.469 9.309 724 HG2 PRO 98 1HG PRO 98 -9.610 7.692 8.812 725 HG3 PRO 98 2HG PRO 98 -8.815 8.109 10.341 726 HD2 PRO 98 1HD PRO 98 -10.359 9.864 8.977 727 HD3 PRO 98 2HD PRO 98 -8.962 10.374 9.945 728 H VAL 99 H VAL 99 -6.102 8.125 5.702 729 HA VAL 99 HA VAL 99 -8.201 7.677 3.747 730 HB VAL 99 HB VAL 99 -5.275 6.966 3.534 731 HG11 VAL 99 1HG1 VAL 99 -6.511 7.629 1.058 732 HG12 VAL 99 2HG1 VAL 99 -5.802 6.094 1.562 733 HG13 VAL 99 3HG1 VAL 99 -7.506 6.426 1.877 734 HG21 VAL 99 1HG2 VAL 99 -4.799 9.059 2.689 735 HG22 VAL 99 2HG2 VAL 99 -6.480 9.393 2.277 736 HG23 VAL 99 3HG2 VAL 99 -5.958 9.447 3.960 737 H SER 100 H SER 100 -9.151 5.780 3.318 738 HA SER 100 HA SER 100 -8.477 3.498 4.986 739 HB2 SER 100 1HB SER 100 -10.574 2.559 4.276 740 HB3 SER 100 2HB SER 100 -10.850 4.262 4.642 741 HG SER 100 HG SER 100 -11.241 2.950 2.335 742 H ILE 101 H ILE 101 -7.323 1.809 4.331 743 HA ILE 101 HA ILE 101 -7.016 1.349 1.439 744 HB ILE 101 HB ILE 101 -4.847 1.099 3.525 745 HG12 ILE 101 1HG1 ILE 101 -5.064 2.977 1.164 746 HG13 ILE 101 2HG1 ILE 101 -5.404 3.428 2.830 747 HG21 ILE 101 1HG2 ILE 101 -4.903 -0.601 1.622 748 HG22 ILE 101 2HG2 ILE 101 -4.518 0.754 0.563 749 HG23 ILE 101 3HG2 ILE 101 -3.407 0.304 1.856 750 HD11 ILE 101 1HD1 ILE 101 -2.758 2.539 1.710 751 HD12 ILE 101 2HD1 ILE 101 -3.203 4.165 2.231 752 HD13 ILE 101 3HD1 ILE 101 -3.074 2.864 3.414 753 H MET 102 H MET 102 -6.951 -0.770 0.755 754 HA MET 102 HA MET 102 -7.662 -2.768 2.796 755 HB2 MET 102 1HB MET 102 -9.327 -2.269 0.971 756 HB3 MET 102 2HB MET 102 -8.172 -2.933 -0.176 757 HG2 MET 102 1HG MET 102 -9.504 -4.747 0.200 758 HG3 MET 102 2HG MET 102 -8.239 -5.010 1.398 759 HE1 MET 102 1HE MET 102 -10.763 -6.695 2.831 760 HE2 MET 102 2HE MET 102 -9.031 -6.368 2.815 761 HE3 MET 102 3HE MET 102 -10.001 -5.919 4.219 762 H VAL 103 H VAL 103 -6.252 -4.329 3.226 763 HA VAL 103 HA VAL 103 -4.096 -4.841 1.282 764 HB VAL 103 HB VAL 103 -4.020 -5.277 4.270 765 HG11 VAL 103 1HG1 VAL 103 -2.613 -6.761 2.748 766 HG12 VAL 103 2HG1 VAL 103 -1.697 -5.303 2.366 767 HG13 VAL 103 3HG1 VAL 103 -1.768 -5.892 4.028 768 HG21 VAL 103 1HG2 VAL 103 -4.064 -2.863 3.314 769 HG22 VAL 103 2HG2 VAL 103 -2.848 -3.294 4.518 770 HG23 VAL 103 3HG2 VAL 103 -2.411 -3.220 2.811 771 H VAL 104 H VAL 104 -4.037 -6.786 0.375 772 HA VAL 104 HA VAL 104 -5.292 -9.047 1.780 773 HB VAL 104 HB VAL 104 -6.232 -9.894 -0.262 774 HG11 VAL 104 1HG1 VAL 104 -7.885 -8.162 -0.767 775 HG12 VAL 104 2HG1 VAL 104 -7.587 -8.282 0.968 776 HG13 VAL 104 3HG1 VAL 104 -6.875 -6.961 0.039 777 HG21 VAL 104 1HG2 VAL 104 -4.821 -7.575 -1.560 778 HG22 VAL 104 2HG2 VAL 104 -4.625 -9.295 -1.895 779 HG23 VAL 104 3HG2 VAL 104 -6.116 -8.472 -2.351 780 H GLN 105 H GLN 105 -4.477 -11.144 1.185 781 HA GLN 105 HA GLN 105 -1.634 -11.082 0.679 782 HB2 GLN 105 1HB GLN 105 -3.420 -13.474 1.149 783 HB3 GLN 105 2HB GLN 105 -1.665 -13.435 1.255 784 HG2 GLN 105 1HG GLN 105 -1.859 -11.841 3.137 785 HG3 GLN 105 2HG GLN 105 -3.611 -12.026 3.066 786 HE21 GLN 105 1HE2 GLN 105 -1.578 -12.688 5.147 787 HE22 GLN 105 2HE2 GLN 105 -1.867 -14.346 5.537 788 H SER 106 H SER 106 -0.984 -10.907 -1.367 789 HA SER 106 HA SER 106 -2.434 -11.552 -3.647 790 HB2 SER 106 1HB SER 106 -0.293 -11.409 -4.855 791 HB3 SER 106 2HB SER 106 -0.455 -10.099 -3.685 792 HG SER 106 HG SER 106 1.617 -11.336 -3.774 793 H GLU 107 H GLU 107 -3.334 -13.541 -3.797 794 HA GLU 107 HA GLU 107 -1.936 -15.939 -3.104 795 HB2 GLU 107 1HB GLU 107 -4.402 -15.705 -2.945 796 HB3 GLU 107 2HB GLU 107 -4.483 -15.610 -4.699 797 HG2 GLU 107 1HG GLU 107 -4.037 -17.831 -4.983 798 HG3 GLU 107 2HG GLU 107 -3.141 -17.959 -3.471 799 H ILE 108 H ILE 108 -0.319 -16.709 -4.284 800 HA ILE 108 HA ILE 108 -0.237 -16.212 -7.158 801 HB ILE 108 HB ILE 108 1.827 -17.481 -5.354 802 HG12 ILE 108 1HG1 ILE 108 1.905 -14.746 -6.629 803 HG13 ILE 108 2HG1 ILE 108 1.279 -15.017 -5.006 804 HG21 ILE 108 1HG2 ILE 108 2.863 -16.412 -7.800 805 HG22 ILE 108 2HG2 ILE 108 2.959 -18.057 -7.173 806 HG23 ILE 108 3HG2 ILE 108 1.576 -17.566 -8.151 807 HD11 ILE 108 1HD1 ILE 108 3.393 -15.722 -4.217 808 HD12 ILE 108 2HD1 ILE 108 4.048 -15.811 -5.852 809 HD13 ILE 108 3HD1 ILE 108 3.656 -14.245 -5.144 810 H GLY 109 H GLY 109 0.391 -19.036 -5.059 811 HA2 GLY 109 1HA GLY 109 -1.330 -20.714 -6.641 812 HA3 GLY 109 2HA GLY 109 0.377 -21.030 -6.919 813 H ASP 110 H ASP 110 1.553 -22.132 -5.409 814 HA ASP 110 HA ASP 110 0.604 -22.583 -2.747 815 HB2 ASP 110 1HB ASP 110 -0.761 -24.147 -4.302 816 HB3 ASP 110 2HB ASP 110 0.735 -25.066 -4.434 817 H SER 111 H SER 111 2.397 -22.592 -1.582 818 HA SER 111 HA SER 111 4.931 -23.308 -2.811 819 HB2 SER 111 1HB SER 111 4.246 -22.131 -0.110 820 HB3 SER 111 2HB SER 111 5.890 -22.487 -0.637 821 HG SER 111 HG SER 111 5.226 -21.107 -2.542 822 H GLY 112 H GLY 112 6.503 -24.438 -1.125 823 HA2 GLY 112 1HA GLY 112 5.439 -26.389 0.619 824 HA3 GLY 112 2HA GLY 112 5.722 -27.113 -0.957 825 HA PRO 113 HA PRO 113 9.626 -27.100 1.703 826 HB2 PRO 113 1HB PRO 113 9.831 -29.790 2.004 827 HB3 PRO 113 2HB PRO 113 8.942 -28.762 3.134 828 HG2 PRO 113 1HG PRO 113 7.903 -30.448 0.890 829 HG3 PRO 113 2HG PRO 113 7.259 -30.249 2.529 830 HD2 PRO 113 1HD PRO 113 6.218 -28.959 0.389 831 HD3 PRO 113 2HD PRO 113 6.228 -28.252 2.017 832 H SER 114 H SER 114 10.853 -26.474 -0.052 833 HA SER 114 HA SER 114 11.557 -28.590 -1.979 834 HB2 SER 114 1HB SER 114 11.909 -26.946 -3.644 835 HB3 SER 114 2HB SER 114 10.414 -26.463 -2.842 836 HG SER 114 HG SER 114 12.995 -25.427 -2.264 837 H SER 115 H SER 115 13.498 -29.428 -1.663 838 HA SER 115 HA SER 115 15.612 -27.709 -0.538 839 HB2 SER 115 1HB SER 115 14.672 -29.766 0.806 840 HB3 SER 115 2HB SER 115 15.705 -30.693 -0.282 841 HG SER 115 HG SER 115 16.382 -29.161 1.853 842 H GLY 116 H GLY 116 17.852 -28.448 -1.118 843 HA2 GLY 116 1HA GLY 116 17.884 -29.395 -3.919 844 HA3 GLY 116 2HA GLY 116 18.965 -28.152 -3.306 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -13.920 -3.644 7.519 2 HA2 GLY 1 1HA GLY 1 -13.631 -5.943 5.686 3 HA3 GLY 1 2HA GLY 1 -12.459 -4.641 5.830 4 H SER 2 H SER 2 -13.281 -7.744 6.820 5 HA SER 2 HA SER 2 -11.213 -7.654 8.913 6 HB2 SER 2 1HB SER 2 -12.507 -9.418 10.130 7 HB3 SER 2 2HB SER 2 -13.337 -7.864 10.051 8 HG SER 2 HG SER 2 -14.831 -8.711 8.809 9 H SER 3 H SER 3 -9.749 -9.301 8.925 10 HA SER 3 HA SER 3 -10.100 -11.425 6.916 11 HB2 SER 3 1HB SER 3 -8.521 -9.763 6.048 12 HB3 SER 3 2HB SER 3 -7.548 -9.905 7.512 13 HG SER 3 HG SER 3 -7.392 -11.361 5.315 14 H GLY 4 H GLY 4 -9.423 -13.457 7.481 15 HA2 GLY 4 1HA GLY 4 -8.290 -13.752 10.194 16 HA3 GLY 4 2HA GLY 4 -9.603 -14.769 9.621 17 H SER 5 H SER 5 -6.194 -14.062 9.374 18 HA SER 5 HA SER 5 -5.819 -16.503 7.773 19 HB2 SER 5 1HB SER 5 -4.917 -14.411 6.786 20 HB3 SER 5 2HB SER 5 -3.879 -14.217 8.199 21 HG SER 5 HG SER 5 -2.624 -15.799 7.516 22 H SER 6 H SER 6 -3.810 -17.743 8.269 23 HA SER 6 HA SER 6 -3.661 -18.181 11.139 24 HB2 SER 6 1HB SER 6 -3.904 -20.029 9.367 25 HB3 SER 6 2HB SER 6 -2.192 -19.763 9.034 26 HG SER 6 HG SER 6 -2.996 -21.384 10.755 27 H GLY 7 H GLY 7 -1.417 -17.548 8.449 28 HA2 GLY 7 1HA GLY 7 0.220 -15.698 9.203 29 HA3 GLY 7 2HA GLY 7 0.665 -16.885 10.420 30 H ILE 8 H ILE 8 0.151 -16.817 6.889 31 HA ILE 8 HA ILE 8 1.917 -18.909 6.304 32 HB ILE 8 HB ILE 8 1.935 -18.039 3.994 33 HG12 ILE 8 1HG1 ILE 8 0.204 -16.029 3.760 34 HG13 ILE 8 2HG1 ILE 8 0.800 -15.649 5.371 35 HG21 ILE 8 1HG2 ILE 8 -0.740 -17.851 3.931 36 HG22 ILE 8 2HG2 ILE 8 0.118 -19.374 4.158 37 HG23 ILE 8 3HG2 ILE 8 -0.528 -18.511 5.552 38 HD11 ILE 8 1HD1 ILE 8 2.079 -15.337 2.775 39 HD12 ILE 8 2HD1 ILE 8 2.386 -14.512 4.303 40 HD13 ILE 8 3HD1 ILE 8 3.112 -16.088 3.990 41 HA PRO 9 HA PRO 9 5.937 -17.181 6.689 42 HB2 PRO 9 1HB PRO 9 7.261 -18.571 4.771 43 HB3 PRO 9 2HB PRO 9 6.742 -19.296 6.296 44 HG2 PRO 9 1HG PRO 9 5.449 -19.428 3.600 45 HG3 PRO 9 2HG PRO 9 5.687 -20.720 4.791 46 HD2 PRO 9 1HD PRO 9 3.321 -19.438 4.484 47 HD3 PRO 9 2HD PRO 9 3.873 -20.063 6.052 48 H GLY 10 H GLY 10 6.799 -15.319 6.013 49 HA2 GLY 10 1HA GLY 10 5.944 -14.149 3.521 50 HA3 GLY 10 2HA GLY 10 6.992 -13.405 4.720 51 H SER 11 H SER 11 6.826 -15.084 1.746 52 HA SER 11 HA SER 11 9.744 -15.414 1.670 53 HB2 SER 11 1HB SER 11 9.374 -16.876 -0.255 54 HB3 SER 11 2HB SER 11 8.384 -17.404 1.106 55 HG SER 11 HG SER 11 7.145 -17.376 -0.776 56 HA PRO 12 HA PRO 12 10.218 -11.943 -0.988 57 HB2 PRO 12 1HB PRO 12 12.515 -12.657 -2.248 58 HB3 PRO 12 2HB PRO 12 12.470 -12.114 -0.566 59 HG2 PRO 12 1HG PRO 12 12.596 -14.900 -1.655 60 HG3 PRO 12 2HG PRO 12 13.486 -14.189 -0.296 61 HD2 PRO 12 1HD PRO 12 11.305 -15.756 0.051 62 HD3 PRO 12 2HD PRO 12 11.709 -14.425 1.154 63 H PHE 13 H PHE 13 8.927 -11.622 -2.687 64 HA PHE 13 HA PHE 13 9.487 -12.782 -5.222 65 HB2 PHE 13 1HB PHE 13 8.271 -14.673 -4.184 66 HB3 PHE 13 2HB PHE 13 6.890 -13.615 -3.911 67 HD1 PHE 13 1HD PHE 13 8.994 -15.144 -6.544 68 HD2 PHE 13 2HD PHE 13 5.305 -13.242 -5.596 69 HE1 PHE 13 1HE PHE 13 8.133 -15.704 -8.781 70 HE2 PHE 13 2HE PHE 13 4.439 -13.800 -7.830 71 HZ PHE 13 HZ PHE 13 5.853 -15.033 -9.425 72 H THR 14 H THR 14 8.723 -11.518 -6.835 73 HA THR 14 HA THR 14 7.107 -9.204 -6.034 74 HB THR 14 HB THR 14 8.703 -9.583 -8.574 75 HG1 THR 14 1HG THR 14 10.286 -9.320 -7.154 76 HG21 THR 14 1HG2 THR 14 8.025 -6.902 -7.528 77 HG22 THR 14 2HG2 THR 14 6.688 -7.841 -8.192 78 HG23 THR 14 3HG2 THR 14 8.097 -7.487 -9.190 79 H ALA 15 H ALA 15 5.061 -10.188 -6.097 80 HA ALA 15 HA ALA 15 3.964 -11.781 -8.042 81 HB1 ALA 15 1HB ALA 15 2.994 -10.204 -5.888 82 HB2 ALA 15 2HB ALA 15 1.956 -9.927 -7.286 83 HB3 ALA 15 3HB ALA 15 2.217 -11.567 -6.694 84 H LYS 16 H LYS 16 2.116 -11.025 -9.560 85 HA LYS 16 HA LYS 16 3.264 -8.990 -11.328 86 HB2 LYS 16 1HB LYS 16 1.269 -11.203 -11.808 87 HB3 LYS 16 2HB LYS 16 1.650 -9.977 -13.010 88 HG2 LYS 16 1HG LYS 16 3.997 -10.692 -12.978 89 HG3 LYS 16 2HG LYS 16 3.585 -11.947 -11.807 90 HD2 LYS 16 1HD LYS 16 3.565 -13.077 -13.845 91 HD3 LYS 16 2HD LYS 16 1.861 -12.714 -13.561 92 HE2 LYS 16 1HE LYS 16 1.871 -10.953 -15.125 93 HE3 LYS 16 2HE LYS 16 3.632 -10.905 -15.179 94 HZ1 LYS 16 1HZ LYS 16 2.138 -12.124 -17.006 95 HZ2 LYS 16 2HZ LYS 16 2.409 -13.421 -15.956 96 HZ3 LYS 16 3HZ LYS 16 3.720 -12.597 -16.638 97 H ILE 17 H ILE 17 2.418 -7.024 -11.316 98 HA ILE 17 HA ILE 17 0.020 -6.386 -9.936 99 HB ILE 17 HB ILE 17 1.544 -4.637 -9.946 100 HG12 ILE 17 1HG1 ILE 17 -0.026 -3.666 -12.296 101 HG13 ILE 17 2HG1 ILE 17 -0.893 -4.119 -10.833 102 HG21 ILE 17 1HG2 ILE 17 2.194 -5.638 -12.588 103 HG22 ILE 17 2HG2 ILE 17 2.143 -3.877 -12.537 104 HG23 ILE 17 3HG2 ILE 17 3.198 -4.761 -11.434 105 HD11 ILE 17 1HD1 ILE 17 -0.076 -1.657 -11.254 106 HD12 ILE 17 2HD1 ILE 17 -0.067 -2.367 -9.639 107 HD13 ILE 17 3HD1 ILE 17 1.425 -2.286 -10.575 108 H THR 18 H THR 18 -1.965 -6.770 -10.638 109 HA THR 18 HA THR 18 -2.612 -6.230 -13.444 110 HB THR 18 HB THR 18 -3.462 -8.742 -11.987 111 HG1 THR 18 1HG THR 18 -1.477 -8.166 -13.887 112 HG21 THR 18 1HG2 THR 18 -4.202 -9.232 -14.473 113 HG22 THR 18 2HG2 THR 18 -4.297 -7.472 -14.552 114 HG23 THR 18 3HG2 THR 18 -5.258 -8.355 -13.367 115 H ASP 19 H ASP 19 -4.607 -5.353 -13.779 116 HA ASP 19 HA ASP 19 -6.106 -4.622 -11.376 117 HB2 ASP 19 1HB ASP 19 -5.306 -2.956 -13.206 118 HB3 ASP 19 2HB ASP 19 -6.677 -3.565 -14.130 119 H ASP 20 H ASP 20 -8.456 -4.688 -11.413 120 HA ASP 20 HA ASP 20 -9.722 -6.435 -13.348 121 HB2 ASP 20 1HB ASP 20 -9.373 -7.204 -10.452 122 HB3 ASP 20 2HB ASP 20 -10.652 -7.880 -11.456 123 H SER 21 H SER 21 -12.030 -6.418 -13.214 124 HA SER 21 HA SER 21 -13.251 -4.035 -12.909 125 HB2 SER 21 1HB SER 21 -14.365 -6.009 -13.865 126 HB3 SER 21 2HB SER 21 -14.513 -6.709 -12.254 127 HG SER 21 HG SER 21 -16.244 -5.181 -13.406 128 H ARG 22 H ARG 22 -12.877 -6.459 -10.348 129 HA ARG 22 HA ARG 22 -14.320 -5.455 -8.301 130 HB2 ARG 22 1HB ARG 22 -11.483 -6.489 -8.166 131 HB3 ARG 22 2HB ARG 22 -12.519 -6.260 -6.763 132 HG2 ARG 22 1HG ARG 22 -13.382 -7.989 -9.049 133 HG3 ARG 22 2HG ARG 22 -12.324 -8.608 -7.779 134 HD2 ARG 22 1HD ARG 22 -13.962 -8.168 -6.100 135 HD3 ARG 22 2HD ARG 22 -14.972 -7.280 -7.239 136 HE ARG 22 HE ARG 22 -15.857 -9.268 -7.921 137 HH11 ARG 22 1HH1 ARG 22 -12.827 -9.886 -6.323 138 HH12 ARG 22 2HH1 ARG 22 -12.999 -11.609 -6.378 139 HH21 ARG 22 1HH2 ARG 22 -16.096 -11.535 -7.999 140 HH22 ARG 22 2HH2 ARG 22 -14.859 -12.546 -7.333 141 H ARG 23 H ARG 23 -13.838 -4.060 -6.484 142 HA ARG 23 HA ARG 23 -12.409 -1.656 -7.348 143 HB2 ARG 23 1HB ARG 23 -14.350 -2.081 -5.069 144 HB3 ARG 23 2HB ARG 23 -13.613 -0.542 -5.496 145 HG2 ARG 23 1HG ARG 23 -15.641 -0.347 -6.527 146 HG3 ARG 23 2HG ARG 23 -14.677 -1.033 -7.837 147 HD2 ARG 23 1HD ARG 23 -15.677 -3.096 -7.673 148 HD3 ARG 23 2HD ARG 23 -16.096 -2.875 -5.975 149 HE ARG 23 HE ARG 23 -17.732 -2.279 -8.199 150 HH11 ARG 23 1HH1 ARG 23 -16.843 -1.061 -5.061 151 HH12 ARG 23 2HH1 ARG 23 -18.350 -0.243 -4.808 152 HH21 ARG 23 1HH2 ARG 23 -19.719 -1.206 -7.878 153 HH22 ARG 23 2HH2 ARG 23 -19.985 -0.327 -6.411 154 H CYS 24 H CYS 24 -12.668 -3.823 -4.544 155 HA CYS 24 HA CYS 24 -10.924 -2.737 -2.780 156 HB2 CYS 24 1HB CYS 24 -10.472 -4.956 -1.947 157 HB3 CYS 24 2HB CYS 24 -12.149 -4.886 -2.472 158 HG CYS 24 HG CYS 24 -9.598 -6.713 -3.685 159 H SER 25 H SER 25 -8.789 -2.368 -2.600 160 HA SER 25 HA SER 25 -7.156 -2.617 -4.947 161 HB2 SER 25 1HB SER 25 -6.607 -1.576 -2.164 162 HB3 SER 25 2HB SER 25 -5.385 -1.605 -3.435 163 HG SER 25 HG SER 25 -7.260 -0.466 -4.641 164 H GLN 26 H GLN 26 -5.209 -3.778 -5.147 165 HA GLN 26 HA GLN 26 -4.984 -6.078 -3.318 166 HB2 GLN 26 1HB GLN 26 -5.684 -6.365 -5.838 167 HB3 GLN 26 2HB GLN 26 -3.959 -6.181 -6.126 168 HG2 GLN 26 1HG GLN 26 -3.466 -8.091 -4.767 169 HG3 GLN 26 2HG GLN 26 -5.151 -8.223 -4.267 170 HE21 GLN 26 1HE2 GLN 26 -3.993 -10.403 -5.287 171 HE22 GLN 26 2HE2 GLN 26 -4.580 -10.732 -6.879 172 H VAL 27 H VAL 27 -3.275 -5.852 -2.040 173 HA VAL 27 HA VAL 27 -0.781 -4.803 -3.213 174 HB VAL 27 HB VAL 27 -1.525 -4.498 -0.309 175 HG11 VAL 27 1HG1 VAL 27 0.804 -4.286 -0.625 176 HG12 VAL 27 2HG1 VAL 27 0.596 -3.326 -2.090 177 HG13 VAL 27 3HG1 VAL 27 0.186 -2.638 -0.519 178 HG21 VAL 27 1HG2 VAL 27 -1.631 -2.047 -1.840 179 HG22 VAL 27 2HG2 VAL 27 -2.813 -3.221 -2.419 180 HG23 VAL 27 3HG2 VAL 27 -2.815 -2.730 -0.725 181 H LYS 28 H LYS 28 1.195 -5.552 -2.114 182 HA LYS 28 HA LYS 28 0.949 -8.386 -1.445 183 HB2 LYS 28 1HB LYS 28 3.589 -7.022 -1.722 184 HB3 LYS 28 2HB LYS 28 3.124 -8.657 -2.168 185 HG2 LYS 28 1HG LYS 28 2.079 -6.258 -3.634 186 HG3 LYS 28 2HG LYS 28 3.616 -7.020 -4.050 187 HD2 LYS 28 1HD LYS 28 2.169 -8.113 -5.472 188 HD3 LYS 28 2HD LYS 28 2.186 -9.209 -4.088 189 HE2 LYS 28 1HE LYS 28 -0.087 -8.887 -4.818 190 HE3 LYS 28 2HE LYS 28 0.133 -8.116 -3.249 191 HZ1 LYS 28 1HZ LYS 28 -0.476 -6.935 -5.816 192 HZ2 LYS 28 2HZ LYS 28 0.697 -6.105 -4.924 193 HZ3 LYS 28 3HZ LYS 28 -0.833 -6.382 -4.259 194 H LEU 29 H LEU 29 1.491 -9.246 0.492 195 HA LEU 29 HA LEU 29 1.869 -7.399 2.697 196 HB2 LEU 29 1HB LEU 29 0.347 -9.547 2.534 197 HB3 LEU 29 2HB LEU 29 1.824 -10.352 3.063 198 HG LEU 29 HG LEU 29 1.841 -8.819 5.048 199 HD11 LEU 29 1HD1 LEU 29 -0.905 -8.180 5.129 200 HD12 LEU 29 2HD1 LEU 29 -0.281 -7.596 3.588 201 HD13 LEU 29 3HD1 LEU 29 0.472 -7.079 5.097 202 HD21 LEU 29 1HD2 LEU 29 1.114 -10.968 5.526 203 HD22 LEU 29 2HD2 LEU 29 -0.337 -10.808 4.537 204 HD23 LEU 29 3HD2 LEU 29 -0.228 -9.972 6.087 205 H GLY 30 H GLY 30 3.794 -6.888 3.493 206 HA2 GLY 30 1HA GLY 30 5.887 -7.477 4.469 207 HA3 GLY 30 2HA GLY 30 5.939 -8.893 3.428 208 H SER 31 H SER 31 4.932 -6.511 1.459 209 HA SER 31 HA SER 31 7.677 -5.709 0.747 210 HB2 SER 31 1HB SER 31 6.350 -7.420 -0.765 211 HB3 SER 31 2HB SER 31 5.565 -5.957 -1.358 212 HG SER 31 HG SER 31 7.568 -5.168 -1.979 213 H ALA 32 H ALA 32 7.911 -3.654 -0.274 214 HA ALA 32 HA ALA 32 6.113 -1.677 0.785 215 HB1 ALA 32 1HB ALA 32 8.258 -0.895 0.895 216 HB2 ALA 32 2HB ALA 32 8.724 -1.633 -0.639 217 HB3 ALA 32 3HB ALA 32 7.744 -0.167 -0.627 218 H ALA 33 H ALA 33 4.324 -1.014 -0.189 219 HA ALA 33 HA ALA 33 4.243 -0.998 -3.135 220 HB1 ALA 33 1HB ALA 33 1.770 -1.460 -2.889 221 HB2 ALA 33 2HB ALA 33 2.852 -2.798 -2.501 222 HB3 ALA 33 3HB ALA 33 2.106 -1.863 -1.204 223 H ASP 34 H ASP 34 3.409 0.789 -4.106 224 HA ASP 34 HA ASP 34 3.095 3.143 -2.466 225 HB2 ASP 34 1HB ASP 34 2.882 2.791 -5.464 226 HB3 ASP 34 2HB ASP 34 2.905 4.336 -4.619 227 H PHE 35 H PHE 35 1.263 4.510 -2.439 228 HA PHE 35 HA PHE 35 -1.252 3.265 -3.315 229 HB2 PHE 35 1HB PHE 35 -0.598 4.410 -0.605 230 HB3 PHE 35 2HB PHE 35 -2.258 4.249 -1.171 231 HD1 PHE 35 2HD PHE 35 -3.178 1.997 -1.658 232 HD2 PHE 35 1HD PHE 35 0.619 2.547 0.184 233 HE1 PHE 35 2HE PHE 35 -3.216 -0.340 -0.891 234 HE2 PHE 35 1HE PHE 35 0.588 0.210 0.953 235 HZ PHE 35 HZ PHE 35 -1.332 -1.237 0.417 236 H LEU 36 H LEU 36 -2.268 4.567 -4.675 237 HA LEU 36 HA LEU 36 -1.615 7.388 -4.781 238 HB2 LEU 36 1HB LEU 36 -2.070 5.675 -6.734 239 HB3 LEU 36 2HB LEU 36 -3.742 6.163 -6.467 240 HG LEU 36 HG LEU 36 -2.731 8.581 -6.714 241 HD11 LEU 36 1HD1 LEU 36 -0.528 8.508 -7.105 242 HD12 LEU 36 2HD1 LEU 36 -0.996 8.074 -8.748 243 HD13 LEU 36 3HD1 LEU 36 -0.568 6.813 -7.591 244 HD21 LEU 36 1HD2 LEU 36 -4.311 7.079 -8.225 245 HD22 LEU 36 2HD2 LEU 36 -2.909 7.126 -9.295 246 HD23 LEU 36 3HD2 LEU 36 -3.679 8.629 -8.783 247 H LEU 37 H LEU 37 -2.710 8.909 -3.745 248 HA LEU 37 HA LEU 37 -5.561 8.477 -3.177 249 HB2 LEU 37 1HB LEU 37 -5.372 9.185 -0.954 250 HB3 LEU 37 2HB LEU 37 -4.057 8.036 -1.187 251 HG LEU 37 HG LEU 37 -3.789 11.042 -1.144 252 HD11 LEU 37 1HD1 LEU 37 -2.811 10.812 0.991 253 HD12 LEU 37 2HD1 LEU 37 -2.756 9.055 0.863 254 HD13 LEU 37 3HD1 LEU 37 -4.306 9.878 1.038 255 HD21 LEU 37 1HD2 LEU 37 -1.302 10.244 -0.901 256 HD22 LEU 37 2HD2 LEU 37 -2.043 10.414 -2.493 257 HD23 LEU 37 3HD2 LEU 37 -1.898 8.819 -1.752 258 H ASP 38 H ASP 38 -6.855 10.248 -3.384 259 HA ASP 38 HA ASP 38 -5.738 12.517 -4.766 260 HB2 ASP 38 1HB ASP 38 -8.041 13.245 -5.038 261 HB3 ASP 38 2HB ASP 38 -7.915 11.531 -5.419 262 H ILE 39 H ILE 39 -4.534 13.765 -3.414 263 HA ILE 39 HA ILE 39 -5.945 14.932 -1.103 264 HB ILE 39 HB ILE 39 -3.559 15.338 -0.213 265 HG12 ILE 39 1HG1 ILE 39 -2.841 12.870 -1.738 266 HG13 ILE 39 2HG1 ILE 39 -2.690 14.430 -2.541 267 HG21 ILE 39 1HG2 ILE 39 -5.114 12.806 -0.216 268 HG22 ILE 39 2HG2 ILE 39 -3.522 12.808 0.539 269 HG23 ILE 39 3HG2 ILE 39 -4.768 13.919 1.107 270 HD11 ILE 39 1HD1 ILE 39 -0.674 14.565 -1.638 271 HD12 ILE 39 2HD1 ILE 39 -1.473 14.807 -0.084 272 HD13 ILE 39 3HD1 ILE 39 -0.980 13.188 -0.579 273 H SER 40 H SER 40 -6.173 17.073 -1.115 274 HA SER 40 HA SER 40 -5.040 18.599 -3.298 275 HB2 SER 40 1HB SER 40 -6.847 19.526 -1.052 276 HB3 SER 40 2HB SER 40 -6.493 20.401 -2.541 277 HG SER 40 HG SER 40 -7.440 18.559 -3.652 278 H GLU 41 H GLU 41 -3.121 17.640 -1.457 279 HA GLU 41 HA GLU 41 -2.118 20.192 -0.391 280 HB2 GLU 41 1HB GLU 41 -2.079 17.482 0.930 281 HB3 GLU 41 2HB GLU 41 -1.011 18.787 1.424 282 HG2 GLU 41 1HG GLU 41 -3.981 18.590 1.665 283 HG3 GLU 41 2HG GLU 41 -2.781 18.937 2.908 284 H THR 42 H THR 42 -0.139 20.726 -1.056 285 HA THR 42 HA THR 42 1.509 18.630 -2.315 286 HB THR 42 HB THR 42 0.599 20.346 -3.902 287 HG1 THR 42 1HG THR 42 2.420 19.400 -4.643 288 HG21 THR 42 1HG2 THR 42 2.587 22.282 -2.790 289 HG22 THR 42 2HG2 THR 42 0.969 22.199 -2.091 290 HG23 THR 42 3HG2 THR 42 1.174 22.582 -3.800 291 H ASP 43 H ASP 43 1.652 19.183 0.437 292 HA ASP 43 HA ASP 43 4.363 20.314 0.600 293 HB2 ASP 43 1HB ASP 43 2.216 20.691 2.697 294 HB3 ASP 43 2HB ASP 43 3.844 21.362 2.721 295 H LEU 44 H LEU 44 4.727 17.916 0.314 296 HA LEU 44 HA LEU 44 4.082 15.862 1.901 297 HB2 LEU 44 1HB LEU 44 6.638 16.676 0.646 298 HB3 LEU 44 2HB LEU 44 6.706 15.368 1.825 299 HG LEU 44 HG LEU 44 4.697 15.168 -0.357 300 HD11 LEU 44 1HD1 LEU 44 6.827 15.937 -1.426 301 HD12 LEU 44 2HD1 LEU 44 6.268 14.348 -1.947 302 HD13 LEU 44 3HD1 LEU 44 7.596 14.482 -0.794 303 HD21 LEU 44 1HD2 LEU 44 6.217 12.822 0.074 304 HD22 LEU 44 2HD2 LEU 44 4.540 13.136 0.517 305 HD23 LEU 44 3HD2 LEU 44 5.835 13.504 1.656 306 H SER 45 H SER 45 6.780 18.048 2.731 307 HA SER 45 HA SER 45 7.354 17.069 5.240 308 HB2 SER 45 1HB SER 45 7.586 19.802 4.022 309 HB3 SER 45 2HB SER 45 7.987 19.564 5.722 310 HG SER 45 HG SER 45 9.507 17.999 5.078 311 H SER 46 H SER 46 5.360 19.972 4.665 312 HA SER 46 HA SER 46 4.396 20.338 7.202 313 HB2 SER 46 1HB SER 46 3.129 20.852 4.518 314 HB3 SER 46 2HB SER 46 2.308 21.282 6.018 315 HG SER 46 HG SER 46 3.745 22.908 4.928 316 H LEU 47 H LEU 47 3.688 17.768 5.056 317 HA LEU 47 HA LEU 47 1.264 17.005 6.492 318 HB2 LEU 47 1HB LEU 47 2.634 15.837 4.077 319 HB3 LEU 47 2HB LEU 47 1.181 15.161 4.809 320 HG LEU 47 HG LEU 47 1.407 17.890 3.540 321 HD11 LEU 47 1HD1 LEU 47 0.620 15.227 2.533 322 HD12 LEU 47 2HD1 LEU 47 1.320 16.604 1.683 323 HD13 LEU 47 3HD1 LEU 47 -0.401 16.586 2.065 324 HD21 LEU 47 1HD2 LEU 47 -0.548 16.700 5.320 325 HD22 LEU 47 2HD2 LEU 47 -1.259 17.180 3.779 326 HD23 LEU 47 3HD2 LEU 47 -0.396 18.365 4.760 327 H THR 48 H THR 48 1.033 14.736 7.205 328 HA THR 48 HA THR 48 3.583 13.662 8.224 329 HB THR 48 HB THR 48 0.943 13.380 9.656 330 HG1 THR 48 1HG THR 48 1.364 15.563 9.700 331 HG21 THR 48 1HG2 THR 48 2.305 11.810 10.609 332 HG22 THR 48 2HG2 THR 48 2.784 13.213 11.566 333 HG23 THR 48 3HG2 THR 48 3.780 12.688 10.208 334 H ALA 49 H ALA 49 3.429 11.313 8.829 335 HA ALA 49 HA ALA 49 1.517 9.827 7.175 336 HB1 ALA 49 1HB ALA 49 3.366 8.340 6.410 337 HB2 ALA 49 2HB ALA 49 3.447 9.983 5.772 338 HB3 ALA 49 3HB ALA 49 4.510 9.496 7.093 339 H SER 50 H SER 50 0.491 8.468 8.475 340 HA SER 50 HA SER 50 2.020 6.859 10.368 341 HB2 SER 50 1HB SER 50 -0.099 8.835 11.107 342 HB3 SER 50 2HB SER 50 0.004 7.328 12.016 343 HG SER 50 HG SER 50 2.092 7.842 12.597 344 H ILE 51 H ILE 51 1.313 4.809 10.480 345 HA ILE 51 HA ILE 51 -1.388 4.187 9.512 346 HB ILE 51 HB ILE 51 1.147 2.827 8.600 347 HG12 ILE 51 1HG1 ILE 51 -1.023 4.302 7.092 348 HG13 ILE 51 2HG1 ILE 51 0.609 4.891 7.394 349 HG21 ILE 51 1HG2 ILE 51 -0.765 1.622 7.163 350 HG22 ILE 51 2HG2 ILE 51 -0.165 0.986 8.694 351 HG23 ILE 51 3HG2 ILE 51 -1.663 1.916 8.651 352 HD11 ILE 51 1HD1 ILE 51 0.822 4.125 5.259 353 HD12 ILE 51 2HD1 ILE 51 1.283 2.679 6.156 354 HD13 ILE 51 3HD1 ILE 51 -0.344 2.822 5.490 355 H LYS 52 H LYS 52 -2.350 2.390 10.431 356 HA LYS 52 HA LYS 52 -0.822 0.819 12.360 357 HB2 LYS 52 1HB LYS 52 -1.766 2.719 13.627 358 HB3 LYS 52 2HB LYS 52 -3.376 2.267 13.084 359 HG2 LYS 52 1HG LYS 52 -3.304 1.344 15.186 360 HG3 LYS 52 2HG LYS 52 -2.819 -0.021 14.177 361 HD2 LYS 52 1HD LYS 52 -0.660 0.025 14.916 362 HD3 LYS 52 2HD LYS 52 -0.677 1.769 15.191 363 HE2 LYS 52 1HE LYS 52 -2.087 -0.282 16.898 364 HE3 LYS 52 2HE LYS 52 -0.541 0.472 17.285 365 HZ1 LYS 52 1HZ LYS 52 -2.315 2.529 16.735 366 HZ2 LYS 52 2HZ LYS 52 -1.667 2.104 18.238 367 HZ3 LYS 52 3HZ LYS 52 -3.148 1.453 17.741 368 H ALA 53 H ALA 53 -1.124 -1.169 11.579 369 HA ALA 53 HA ALA 53 -3.066 -2.143 9.947 370 HB1 ALA 53 1HB ALA 53 -2.500 -4.221 11.795 371 HB2 ALA 53 2HB ALA 53 -1.831 -3.969 10.183 372 HB3 ALA 53 3HB ALA 53 -1.037 -3.258 11.588 373 HA PRO 54 HA PRO 54 -6.876 -2.667 12.062 374 HB2 PRO 54 1HB PRO 54 -7.617 -5.220 11.507 375 HB3 PRO 54 2HB PRO 54 -7.629 -3.931 10.297 376 HG2 PRO 54 1HG PRO 54 -5.580 -6.059 10.775 377 HG3 PRO 54 2HG PRO 54 -6.239 -5.465 9.240 378 HD2 PRO 54 1HD PRO 54 -3.830 -4.677 10.195 379 HD3 PRO 54 2HD PRO 54 -4.869 -3.611 9.225 380 H SER 55 H SER 55 -4.297 -4.827 12.861 381 HA SER 55 HA SER 55 -5.680 -5.795 15.251 382 HB2 SER 55 1HB SER 55 -2.978 -6.550 14.110 383 HB3 SER 55 2HB SER 55 -3.748 -7.306 15.505 384 HG SER 55 HG SER 55 -4.838 -8.496 14.174 385 H GLY 56 H GLY 56 -4.151 -3.080 14.507 386 HA2 GLY 56 1HA GLY 56 -3.442 -1.415 15.980 387 HA3 GLY 56 2HA GLY 56 -3.329 -2.622 17.252 388 H ARG 57 H ARG 57 -1.819 -3.236 14.198 389 HA ARG 57 HA ARG 57 0.795 -3.061 15.504 390 HB2 ARG 57 1HB ARG 57 0.113 -4.309 12.839 391 HB3 ARG 57 2HB ARG 57 1.612 -4.490 13.738 392 HG2 ARG 57 1HG ARG 57 0.568 -5.804 15.402 393 HG3 ARG 57 2HG ARG 57 -1.043 -5.399 14.807 394 HD2 ARG 57 1HD ARG 57 -0.795 -7.476 13.887 395 HD3 ARG 57 2HD ARG 57 -0.121 -6.489 12.591 396 HE ARG 57 HE ARG 57 1.837 -7.592 12.914 397 HH11 ARG 57 1HH1 ARG 57 0.082 -7.594 15.921 398 HH12 ARG 57 2HH1 ARG 57 1.275 -8.520 16.768 399 HH21 ARG 57 1HH2 ARG 57 3.417 -8.812 14.019 400 HH22 ARG 57 2HH2 ARG 57 3.173 -9.212 15.685 401 H ASP 58 H ASP 58 1.980 -1.309 15.185 402 HA ASP 58 HA ASP 58 1.355 0.620 13.177 403 HB2 ASP 58 1HB ASP 58 2.229 1.539 15.148 404 HB3 ASP 58 2HB ASP 58 3.530 0.357 15.235 405 H GLU 59 H GLU 59 2.450 1.152 11.315 406 HA GLU 59 HA GLU 59 4.583 -0.695 10.472 407 HB2 GLU 59 1HB GLU 59 2.338 0.372 8.750 408 HB3 GLU 59 2HB GLU 59 3.668 -0.631 8.190 409 HG2 GLU 59 1HG GLU 59 2.884 -2.514 9.324 410 HG3 GLU 59 2HG GLU 59 1.820 -1.559 10.355 411 HA PRO 60 HA PRO 60 6.922 2.929 9.598 412 HB2 PRO 60 1HB PRO 60 8.676 1.890 7.806 413 HB3 PRO 60 2HB PRO 60 8.757 1.547 9.538 414 HG2 PRO 60 1HG PRO 60 7.598 -0.111 7.331 415 HG3 PRO 60 2HG PRO 60 8.601 -0.618 8.704 416 HD2 PRO 60 1HD PRO 60 5.912 -0.933 8.669 417 HD3 PRO 60 2HD PRO 60 6.818 -0.627 10.165 418 H CYS 61 H CYS 61 5.164 4.057 8.541 419 HA CYS 61 HA CYS 61 4.954 3.769 5.651 420 HB2 CYS 61 1HB CYS 61 3.102 5.358 5.826 421 HB3 CYS 61 2HB CYS 61 2.897 4.039 6.971 422 HG CYS 61 HG CYS 61 3.957 5.636 9.123 423 H LEU 62 H LEU 62 5.459 5.375 4.171 424 HA LEU 62 HA LEU 62 6.762 7.799 5.146 425 HB2 LEU 62 1HB LEU 62 8.365 5.770 4.633 426 HB3 LEU 62 2HB LEU 62 8.125 6.295 2.967 427 HG LEU 62 HG LEU 62 10.176 7.221 3.871 428 HD11 LEU 62 1HD1 LEU 62 8.103 9.395 3.651 429 HD12 LEU 62 2HD1 LEU 62 8.787 8.532 2.272 430 HD13 LEU 62 3HD1 LEU 62 9.828 9.516 3.302 431 HD21 LEU 62 1HD2 LEU 62 9.309 7.200 6.260 432 HD22 LEU 62 2HD2 LEU 62 8.530 8.736 5.879 433 HD23 LEU 62 3HD2 LEU 62 10.286 8.589 5.781 434 H LEU 63 H LEU 63 5.904 9.461 4.106 435 HA LEU 63 HA LEU 63 4.367 9.095 1.709 436 HB2 LEU 63 1HB LEU 63 4.988 11.373 3.526 437 HB3 LEU 63 2HB LEU 63 4.365 11.719 1.914 438 HG LEU 63 HG LEU 63 2.938 9.901 3.840 439 HD11 LEU 63 1HD1 LEU 63 1.644 11.708 4.623 440 HD12 LEU 63 2HD1 LEU 63 2.324 12.814 3.430 441 HD13 LEU 63 3HD1 LEU 63 3.325 12.228 4.759 442 HD21 LEU 63 1HD2 LEU 63 1.388 11.457 1.945 443 HD22 LEU 63 2HD2 LEU 63 1.389 9.719 2.250 444 HD23 LEU 63 3HD2 LEU 63 2.575 10.423 1.148 445 H LYS 64 H LYS 64 4.835 9.734 -0.349 446 HA LYS 64 HA LYS 64 7.331 11.139 -0.887 447 HB2 LYS 64 1HB LYS 64 8.208 9.491 -2.372 448 HB3 LYS 64 2HB LYS 64 7.828 8.672 -0.862 449 HG2 LYS 64 1HG LYS 64 5.900 7.664 -1.784 450 HG3 LYS 64 2HG LYS 64 5.957 8.698 -3.213 451 HD2 LYS 64 1HD LYS 64 6.760 6.450 -3.724 452 HD3 LYS 64 2HD LYS 64 8.053 7.638 -3.899 453 HE2 LYS 64 1HE LYS 64 7.723 6.251 -1.283 454 HE3 LYS 64 2HE LYS 64 8.441 5.363 -2.626 455 HZ1 LYS 64 1HZ LYS 64 10.299 6.298 -1.765 456 HZ2 LYS 64 2HZ LYS 64 9.488 7.641 -1.131 457 HZ3 LYS 64 3HZ LYS 64 9.850 7.575 -2.783 458 H ARG 65 H ARG 65 7.513 11.805 -3.166 459 HA ARG 65 HA ARG 65 4.891 12.546 -4.191 460 HB2 ARG 65 1HB ARG 65 6.379 14.378 -4.071 461 HB3 ARG 65 2HB ARG 65 7.694 13.460 -4.791 462 HG2 ARG 65 1HG ARG 65 6.973 14.929 -6.463 463 HG3 ARG 65 2HG ARG 65 6.282 13.364 -6.895 464 HD2 ARG 65 1HD ARG 65 4.139 14.003 -6.315 465 HD3 ARG 65 2HD ARG 65 4.702 15.267 -5.223 466 HE ARG 65 HE ARG 65 4.068 15.574 -7.955 467 HH11 ARG 65 1HH1 ARG 65 6.391 16.593 -5.570 468 HH12 ARG 65 2HH1 ARG 65 6.734 18.097 -6.358 469 HH21 ARG 65 1HH2 ARG 65 4.512 17.551 -9.002 470 HH22 ARG 65 2HH2 ARG 65 5.664 18.641 -8.309 471 H LEU 66 H LEU 66 3.995 11.758 -6.003 472 HA LEU 66 HA LEU 66 5.528 9.749 -7.504 473 HB2 LEU 66 1HB LEU 66 2.573 10.152 -7.112 474 HB3 LEU 66 2HB LEU 66 3.237 9.038 -8.305 475 HG LEU 66 HG LEU 66 3.703 8.850 -5.331 476 HD11 LEU 66 1HD1 LEU 66 1.936 7.103 -7.027 477 HD12 LEU 66 2HD1 LEU 66 1.333 8.468 -6.087 478 HD13 LEU 66 3HD1 LEU 66 2.101 7.107 -5.271 479 HD21 LEU 66 1HD2 LEU 66 5.046 7.694 -7.535 480 HD22 LEU 66 2HD2 LEU 66 4.097 6.420 -6.767 481 HD23 LEU 66 3HD2 LEU 66 5.261 7.349 -5.819 482 HA PRO 67 HA PRO 67 5.526 12.159 -11.173 483 HB2 PRO 67 1HB PRO 67 5.290 10.237 -13.074 484 HB3 PRO 67 2HB PRO 67 6.768 10.483 -12.136 485 HG2 PRO 67 1HG PRO 67 4.590 8.467 -11.745 486 HG3 PRO 67 2HG PRO 67 6.347 8.248 -11.650 487 HD2 PRO 67 1HD PRO 67 4.790 8.514 -9.451 488 HD3 PRO 67 2HD PRO 67 6.463 9.104 -9.512 489 H ASN 68 H ASN 68 4.283 12.602 -13.197 490 HA ASN 68 HA ASN 68 2.355 13.046 -14.327 491 HB2 ASN 68 1HB ASN 68 2.096 10.451 -13.858 492 HB3 ASN 68 2HB ASN 68 0.805 11.005 -12.794 493 HD21 ASN 68 1HD2 ASN 68 -0.740 12.570 -13.819 494 HD22 ASN 68 2HD2 ASN 68 -1.224 12.237 -15.444 495 H ASN 69 H ASN 69 3.033 14.309 -11.793 496 HA ASN 69 HA ASN 69 2.164 15.799 -10.312 497 HB2 ASN 69 1HB ASN 69 -0.228 15.646 -12.160 498 HB3 ASN 69 2HB ASN 69 0.010 16.869 -10.916 499 HD21 ASN 69 1HD2 ASN 69 0.480 16.083 -14.120 500 HD22 ASN 69 2HD2 ASN 69 1.611 17.321 -14.535 501 H HIS 70 H HIS 70 1.859 12.969 -9.798 502 HA HIS 70 HA HIS 70 -0.589 13.004 -8.157 503 HB2 HIS 70 1HB HIS 70 0.867 10.579 -9.230 504 HB3 HIS 70 2HB HIS 70 -0.638 10.575 -8.317 505 HD1 HIS 70 1HD HIS 70 -1.613 13.165 -10.144 506 HD2 HIS 70 2HD HIS 70 -0.554 9.338 -11.362 507 HE1 HIS 70 1HE HIS 70 -2.734 12.835 -12.371 508 HE2 HIS 70 2HE HIS 70 -2.148 10.481 -13.048 509 H ILE 71 H ILE 71 -0.432 11.664 -6.152 510 HA ILE 71 HA ILE 71 2.266 11.442 -5.058 511 HB ILE 71 HB ILE 71 0.092 13.015 -3.673 512 HG12 ILE 71 1HG1 ILE 71 2.760 14.043 -4.630 513 HG13 ILE 71 2HG1 ILE 71 1.318 14.106 -5.638 514 HG21 ILE 71 1HG2 ILE 71 2.461 11.689 -2.706 515 HG22 ILE 71 2HG2 ILE 71 2.544 13.426 -2.415 516 HG23 ILE 71 3HG2 ILE 71 1.177 12.495 -1.804 517 HD11 ILE 71 1HD1 ILE 71 0.460 15.213 -3.283 518 HD12 ILE 71 2HD1 ILE 71 2.121 15.792 -3.415 519 HD13 ILE 71 3HD1 ILE 71 0.973 16.098 -4.719 520 H GLY 72 H GLY 72 2.498 9.849 -3.545 521 HA2 GLY 72 1HA GLY 72 0.122 8.612 -2.387 522 HA3 GLY 72 2HA GLY 72 1.088 7.606 -3.456 523 H ILE 73 H ILE 73 0.687 6.842 -0.861 524 HA ILE 73 HA ILE 73 3.133 7.566 0.581 525 HB ILE 73 HB ILE 73 0.966 7.636 1.802 526 HG12 ILE 73 1HG1 ILE 73 2.591 5.441 3.029 527 HG13 ILE 73 2HG1 ILE 73 3.329 7.018 2.774 528 HG21 ILE 73 1HG2 ILE 73 0.323 5.138 2.518 529 HG22 ILE 73 2HG2 ILE 73 -0.428 5.975 1.160 530 HG23 ILE 73 3HG2 ILE 73 0.886 4.833 0.874 531 HD11 ILE 73 1HD1 ILE 73 0.864 7.530 3.980 532 HD12 ILE 73 2HD1 ILE 73 1.550 6.153 4.843 533 HD13 ILE 73 3HD1 ILE 73 2.467 7.653 4.704 534 H SER 74 H SER 74 4.432 5.881 1.558 535 HA SER 74 HA SER 74 4.283 3.299 0.157 536 HB2 SER 74 1HB SER 74 6.077 4.978 -0.698 537 HB3 SER 74 2HB SER 74 6.932 4.570 0.789 538 HG SER 74 HG SER 74 6.042 2.696 -1.150 539 H PHE 75 H PHE 75 4.063 1.712 1.573 540 HA PHE 75 HA PHE 75 5.708 1.622 3.954 541 HB2 PHE 75 1HB PHE 75 4.011 1.615 5.562 542 HB3 PHE 75 2HB PHE 75 3.515 2.903 4.468 543 HD1 PHE 75 1HD PHE 75 1.663 2.544 2.890 544 HD2 PHE 75 2HD PHE 75 2.723 -0.370 5.807 545 HE1 PHE 75 1HE PHE 75 -0.512 1.438 2.572 546 HE2 PHE 75 2HE PHE 75 0.550 -1.480 5.493 547 HZ PHE 75 HZ PHE 75 -1.070 -0.577 3.874 548 H ILE 76 H ILE 76 5.686 -0.461 4.993 549 HA ILE 76 HA ILE 76 4.975 -2.595 3.112 550 HB ILE 76 HB ILE 76 6.899 -2.518 5.430 551 HG12 ILE 76 1HG1 ILE 76 7.493 -3.311 2.594 552 HG13 ILE 76 2HG1 ILE 76 7.424 -1.611 3.048 553 HG21 ILE 76 1HG2 ILE 76 7.435 -4.873 4.830 554 HG22 ILE 76 2HG2 ILE 76 5.832 -4.659 5.533 555 HG23 ILE 76 3HG2 ILE 76 6.009 -4.884 3.792 556 HD11 ILE 76 1HD1 ILE 76 9.113 -2.206 4.858 557 HD12 ILE 76 2HD1 ILE 76 9.335 -3.718 3.978 558 HD13 ILE 76 3HD1 ILE 76 9.678 -2.179 3.188 559 HA PRO 77 HA PRO 77 1.587 -3.273 6.043 560 HB2 PRO 77 1HB PRO 77 0.125 -4.781 4.323 561 HB3 PRO 77 2HB PRO 77 0.131 -3.014 4.285 562 HG2 PRO 77 1HG PRO 77 1.645 -4.949 2.575 563 HG3 PRO 77 2HG PRO 77 0.793 -3.468 2.103 564 HD2 PRO 77 1HD PRO 77 3.480 -3.566 2.420 565 HD3 PRO 77 2HD PRO 77 2.531 -2.107 2.769 566 H ARG 78 H ARG 78 1.848 -4.762 7.575 567 HA ARG 78 HA ARG 78 3.077 -7.321 6.939 568 HB2 ARG 78 1HB ARG 78 2.484 -5.825 9.465 569 HB3 ARG 78 2HB ARG 78 2.775 -7.559 9.535 570 HG2 ARG 78 1HG ARG 78 4.852 -6.584 9.958 571 HG3 ARG 78 2HG ARG 78 4.930 -7.084 8.267 572 HD2 ARG 78 1HD ARG 78 4.638 -4.876 7.496 573 HD3 ARG 78 2HD ARG 78 4.118 -4.308 9.083 574 HE ARG 78 HE ARG 78 6.309 -3.979 9.612 575 HH11 ARG 78 1HH1 ARG 78 6.138 -6.252 6.982 576 HH12 ARG 78 2HH1 ARG 78 7.855 -6.332 6.766 577 HH21 ARG 78 1HH2 ARG 78 8.572 -4.075 9.340 578 HH22 ARG 78 2HH2 ARG 78 9.238 -5.094 8.109 579 H GLU 79 H GLU 79 0.004 -6.017 8.038 580 HA GLU 79 HA GLU 79 -1.132 -8.733 7.955 581 HB2 GLU 79 1HB GLU 79 -1.377 -7.723 10.141 582 HB3 GLU 79 2HB GLU 79 -2.076 -6.273 9.433 583 HG2 GLU 79 1HG GLU 79 -3.883 -7.472 10.310 584 HG3 GLU 79 2HG GLU 79 -3.936 -7.754 8.571 585 H VAL 80 H VAL 80 -3.206 -9.017 6.987 586 HA VAL 80 HA VAL 80 -3.717 -7.080 4.837 587 HB VAL 80 HB VAL 80 -4.940 -8.908 3.714 588 HG11 VAL 80 1HG1 VAL 80 -3.058 -9.818 2.808 589 HG12 VAL 80 2HG1 VAL 80 -2.320 -8.489 3.701 590 HG13 VAL 80 3HG1 VAL 80 -2.312 -10.118 4.378 591 HG21 VAL 80 1HG2 VAL 80 -5.079 -11.083 4.558 592 HG22 VAL 80 2HG2 VAL 80 -3.850 -10.785 5.788 593 HG23 VAL 80 3HG2 VAL 80 -5.452 -10.062 5.948 594 H GLY 81 H GLY 81 -5.757 -6.256 4.461 595 HA2 GLY 81 1HA GLY 81 -8.217 -6.833 5.145 596 HA3 GLY 81 2HA GLY 81 -7.590 -6.446 6.741 597 H GLU 82 H GLU 82 -8.547 -4.572 7.255 598 HA GLU 82 HA GLU 82 -8.503 -2.403 5.267 599 HB2 GLU 82 1HB GLU 82 -10.736 -2.980 6.066 600 HB3 GLU 82 2HB GLU 82 -10.220 -2.749 7.730 601 HG2 GLU 82 1HG GLU 82 -9.988 -0.415 7.434 602 HG3 GLU 82 2HG GLU 82 -10.145 -0.553 5.684 603 H HIS 83 H HIS 83 -6.717 -1.220 5.525 604 HA HIS 83 HA HIS 83 -5.747 -0.650 8.230 605 HB2 HIS 83 1HB HIS 83 -4.504 -0.554 5.504 606 HB3 HIS 83 2HB HIS 83 -3.810 0.400 6.811 607 HD1 HIS 83 1HD HIS 83 -5.054 -3.201 6.655 608 HD2 HIS 83 2HD HIS 83 -1.726 -0.992 7.801 609 HE1 HIS 83 1HE HIS 83 -3.422 -4.876 7.581 610 HE2 HIS 83 2HE HIS 83 -1.451 -3.506 8.346 611 H LEU 84 H LEU 84 -5.519 1.417 9.025 612 HA LEU 84 HA LEU 84 -6.891 3.520 7.485 613 HB2 LEU 84 1HB LEU 84 -6.797 2.878 10.399 614 HB3 LEU 84 2HB LEU 84 -7.068 4.543 9.886 615 HG LEU 84 HG LEU 84 -8.805 2.172 9.194 616 HD11 LEU 84 1HD1 LEU 84 -8.840 3.010 11.579 617 HD12 LEU 84 2HD1 LEU 84 -10.383 3.021 10.726 618 HD13 LEU 84 3HD1 LEU 84 -9.484 4.522 10.940 619 HD21 LEU 84 1HD2 LEU 84 -10.350 4.038 8.419 620 HD22 LEU 84 2HD2 LEU 84 -8.967 3.669 7.389 621 HD23 LEU 84 3HD2 LEU 84 -8.927 5.081 8.446 622 H VAL 85 H VAL 85 -5.547 4.967 6.657 623 HA VAL 85 HA VAL 85 -2.946 5.423 7.902 624 HB VAL 85 HB VAL 85 -3.946 6.626 5.327 625 HG11 VAL 85 1HG1 VAL 85 -1.397 6.571 6.793 626 HG12 VAL 85 2HG1 VAL 85 -1.278 6.275 5.057 627 HG13 VAL 85 3HG1 VAL 85 -2.026 7.757 5.651 628 HG21 VAL 85 1HG2 VAL 85 -2.389 4.064 5.632 629 HG22 VAL 85 2HG2 VAL 85 -4.116 4.146 5.286 630 HG23 VAL 85 3HG2 VAL 85 -2.953 4.794 4.129 631 H SER 86 H SER 86 -2.687 7.027 9.295 632 HA SER 86 HA SER 86 -4.642 9.173 9.431 633 HB2 SER 86 1HB SER 86 -2.258 9.074 11.228 634 HB3 SER 86 2HB SER 86 -3.919 9.544 11.591 635 HG SER 86 HG SER 86 -4.476 7.471 11.825 636 H ILE 87 H ILE 87 -4.350 10.782 8.024 637 HA ILE 87 HA ILE 87 -1.619 11.831 7.661 638 HB ILE 87 HB ILE 87 -3.941 12.086 5.746 639 HG12 ILE 87 1HG1 ILE 87 -3.296 9.815 5.656 640 HG13 ILE 87 2HG1 ILE 87 -2.440 10.577 4.321 641 HG21 ILE 87 1HG2 ILE 87 -2.079 13.875 5.866 642 HG22 ILE 87 2HG2 ILE 87 -1.070 12.642 5.113 643 HG23 ILE 87 3HG2 ILE 87 -2.524 13.212 4.294 644 HD11 ILE 87 1HD1 ILE 87 -0.729 9.387 5.182 645 HD12 ILE 87 2HD1 ILE 87 -0.571 10.819 6.201 646 HD13 ILE 87 3HD1 ILE 87 -1.401 9.388 6.813 647 H LYS 88 H LYS 88 -1.270 13.711 8.619 648 HA LYS 88 HA LYS 88 -3.419 15.708 8.674 649 HB2 LYS 88 1HB LYS 88 -1.649 15.502 11.064 650 HB3 LYS 88 2HB LYS 88 -3.305 16.083 10.941 651 HG2 LYS 88 1HG LYS 88 -4.188 13.918 10.959 652 HG3 LYS 88 2HG LYS 88 -2.625 13.185 10.589 653 HD2 LYS 88 1HD LYS 88 -1.831 14.087 12.821 654 HD3 LYS 88 2HD LYS 88 -3.524 14.448 13.169 655 HE2 LYS 88 1HE LYS 88 -3.394 12.367 14.087 656 HE3 LYS 88 2HE LYS 88 -3.827 11.922 12.436 657 HZ1 LYS 88 1HZ LYS 88 -1.097 12.093 12.417 658 HZ2 LYS 88 2HZ LYS 88 -2.010 10.670 12.453 659 HZ3 LYS 88 3HZ LYS 88 -1.445 11.349 13.895 660 H LYS 89 H LYS 89 -2.462 17.883 9.483 661 HA LYS 89 HA LYS 89 0.243 18.231 8.375 662 HB2 LYS 89 1HB LYS 89 -1.323 19.030 6.715 663 HB3 LYS 89 2HB LYS 89 -2.177 19.984 7.922 664 HG2 LYS 89 1HG LYS 89 -0.226 21.410 8.201 665 HG3 LYS 89 2HG LYS 89 0.663 20.439 7.025 666 HD2 LYS 89 1HD LYS 89 -1.957 21.584 6.206 667 HD3 LYS 89 2HD LYS 89 -0.575 22.674 6.335 668 HE2 LYS 89 1HE LYS 89 0.669 20.945 4.907 669 HE3 LYS 89 2HE LYS 89 -0.927 20.284 4.553 670 HZ1 LYS 89 1HZ LYS 89 -1.424 22.776 3.985 671 HZ2 LYS 89 2HZ LYS 89 -0.697 21.756 2.849 672 HZ3 LYS 89 3HZ LYS 89 0.249 22.840 3.739 673 H ASN 90 H ASN 90 1.459 18.677 10.106 674 HA ASN 90 HA ASN 90 2.272 19.723 11.954 675 HB2 ASN 90 1HB ASN 90 0.394 21.848 10.928 676 HB3 ASN 90 2HB ASN 90 1.395 22.093 12.356 677 HD21 ASN 90 1HD2 ASN 90 1.224 22.675 9.168 678 HD22 ASN 90 2HD2 ASN 90 2.905 22.802 8.789 679 H GLY 91 H GLY 91 -0.111 17.973 12.118 680 HA2 GLY 91 1HA GLY 91 -1.077 17.155 14.117 681 HA3 GLY 91 2HA GLY 91 -0.902 18.752 14.827 682 H ASN 92 H ASN 92 -2.191 18.647 11.654 683 HA ASN 92 HA ASN 92 -4.932 18.840 12.701 684 HB2 ASN 92 1HB ASN 92 -3.439 20.788 10.991 685 HB3 ASN 92 2HB ASN 92 -5.172 20.596 10.744 686 HD21 ASN 92 1HD2 ASN 92 -3.034 22.494 12.177 687 HD22 ASN 92 2HD2 ASN 92 -3.929 23.014 13.561 688 H HIS 93 H HIS 93 -5.689 16.926 11.951 689 HA HIS 93 HA HIS 93 -5.097 15.418 9.825 690 HB2 HIS 93 1HB HIS 93 -7.692 16.030 11.146 691 HB3 HIS 93 2HB HIS 93 -7.748 15.136 9.630 692 HD1 HIS 93 1HD HIS 93 -7.287 12.683 9.751 693 HD2 HIS 93 2HD HIS 93 -6.142 14.681 13.209 694 HE1 HIS 93 1HE HIS 93 -6.642 10.884 11.385 695 HE2 HIS 93 2HE HIS 93 -6.034 12.113 13.498 696 H VAL 94 H VAL 94 -5.520 15.296 7.635 697 HA VAL 94 HA VAL 94 -6.376 17.823 6.392 698 HB VAL 94 HB VAL 94 -5.098 17.193 4.437 699 HG11 VAL 94 1HG1 VAL 94 -4.020 17.823 6.932 700 HG12 VAL 94 2HG1 VAL 94 -2.965 16.573 6.272 701 HG13 VAL 94 3HG1 VAL 94 -3.264 18.051 5.356 702 HG21 VAL 94 1HG2 VAL 94 -4.289 15.136 3.998 703 HG22 VAL 94 2HG2 VAL 94 -3.812 14.851 5.672 704 HG23 VAL 94 3HG2 VAL 94 -5.491 14.622 5.183 705 H ALA 95 H ALA 95 -7.177 17.359 4.020 706 HA ALA 95 HA ALA 95 -9.654 16.034 4.243 707 HB1 ALA 95 1HB ALA 95 -9.913 16.492 1.864 708 HB2 ALA 95 2HB ALA 95 -9.279 17.904 2.712 709 HB3 ALA 95 3HB ALA 95 -8.200 16.897 1.745 710 H ASN 96 H ASN 96 -10.418 14.138 3.254 711 HA ASN 96 HA ASN 96 -10.352 11.950 2.636 712 HB2 ASN 96 1HB ASN 96 -7.753 12.767 1.317 713 HB3 ASN 96 2HB ASN 96 -8.620 11.264 1.014 714 HD21 ASN 96 1HD2 ASN 96 -8.556 14.691 0.515 715 HD22 ASN 96 2HD2 ASN 96 -9.792 14.748 -0.691 716 H SER 97 H SER 97 -9.151 12.827 5.160 717 HA SER 97 HA SER 97 -7.456 10.472 5.633 718 HB2 SER 97 1HB SER 97 -6.056 12.538 5.522 719 HB3 SER 97 2HB SER 97 -6.983 13.195 6.871 720 HG SER 97 HG SER 97 -5.820 12.041 8.173 721 HA PRO 98 HA PRO 98 -6.507 9.483 7.346 722 HB2 PRO 98 1HB PRO 98 -7.279 7.021 8.189 723 HB3 PRO 98 2HB PRO 98 -6.682 8.270 9.289 724 HG2 PRO 98 1HG PRO 98 -9.502 7.467 8.687 725 HG3 PRO 98 2HG PRO 98 -8.755 7.839 10.251 726 HD2 PRO 98 1HD PRO 98 -10.292 9.620 8.911 727 HD3 PRO 98 2HD PRO 98 -8.929 10.115 9.935 728 H VAL 99 H VAL 99 -5.938 7.876 5.796 729 HA VAL 99 HA VAL 99 -7.930 7.577 3.697 730 HB VAL 99 HB VAL 99 -5.031 6.736 3.650 731 HG11 VAL 99 1HG1 VAL 99 -7.115 7.099 1.509 732 HG12 VAL 99 2HG1 VAL 99 -5.387 6.976 1.168 733 HG13 VAL 99 3HG1 VAL 99 -6.236 5.630 1.930 734 HG21 VAL 99 1HG2 VAL 99 -5.910 9.306 3.930 735 HG22 VAL 99 2HG2 VAL 99 -4.383 8.833 3.185 736 HG23 VAL 99 3HG2 VAL 99 -5.795 9.146 2.176 737 H SER 100 H SER 100 -8.947 5.736 3.195 738 HA SER 100 HA SER 100 -8.453 3.396 4.852 739 HB2 SER 100 1HB SER 100 -10.560 2.559 3.989 740 HB3 SER 100 2HB SER 100 -10.771 4.238 4.483 741 HG SER 100 HG SER 100 -11.439 3.294 2.211 742 H ILE 101 H ILE 101 -7.113 1.859 4.212 743 HA ILE 101 HA ILE 101 -6.777 1.394 1.320 744 HB ILE 101 HB ILE 101 -4.762 0.958 3.528 745 HG12 ILE 101 1HG1 ILE 101 -4.800 2.922 1.225 746 HG13 ILE 101 2HG1 ILE 101 -5.075 3.321 2.917 747 HG21 ILE 101 1HG2 ILE 101 -4.723 -0.728 1.671 748 HG22 ILE 101 2HG2 ILE 101 -4.362 0.597 0.566 749 HG23 ILE 101 3HG2 ILE 101 -3.237 0.200 1.865 750 HD11 ILE 101 1HD1 ILE 101 -2.797 2.631 3.448 751 HD12 ILE 101 2HD1 ILE 101 -2.523 2.237 1.751 752 HD13 ILE 101 3HD1 ILE 101 -2.826 3.905 2.231 753 H MET 102 H MET 102 -6.724 -0.714 0.563 754 HA MET 102 HA MET 102 -7.634 -2.753 2.484 755 HB2 MET 102 1HB MET 102 -9.256 -2.065 0.685 756 HB3 MET 102 2HB MET 102 -8.134 -2.732 -0.493 757 HG2 MET 102 1HG MET 102 -9.506 -4.516 -0.237 758 HG3 MET 102 2HG MET 102 -8.341 -4.866 1.039 759 HE1 MET 102 1HE MET 102 -9.042 -5.971 2.637 760 HE2 MET 102 2HE MET 102 -10.158 -5.470 3.907 761 HE3 MET 102 3HE MET 102 -10.736 -6.457 2.564 762 H VAL 103 H VAL 103 -6.218 -4.304 2.903 763 HA VAL 103 HA VAL 103 -4.146 -4.902 0.894 764 HB VAL 103 HB VAL 103 -4.034 -5.331 3.883 765 HG11 VAL 103 1HG1 VAL 103 -2.775 -6.977 2.473 766 HG12 VAL 103 2HG1 VAL 103 -1.818 -5.626 1.864 767 HG13 VAL 103 3HG1 VAL 103 -1.777 -6.034 3.580 768 HG21 VAL 103 1HG2 VAL 103 -3.940 -2.947 3.086 769 HG22 VAL 103 2HG2 VAL 103 -2.526 -3.494 3.987 770 HG23 VAL 103 3HG2 VAL 103 -2.458 -3.368 2.230 771 H VAL 104 H VAL 104 -3.705 -7.016 0.348 772 HA VAL 104 HA VAL 104 -5.058 -9.203 1.669 773 HB VAL 104 HB VAL 104 -6.212 -10.023 -0.322 774 HG11 VAL 104 1HG1 VAL 104 -7.399 -8.584 1.300 775 HG12 VAL 104 2HG1 VAL 104 -7.016 -7.183 0.298 776 HG13 VAL 104 3HG1 VAL 104 -8.054 -8.462 -0.333 777 HG21 VAL 104 1HG2 VAL 104 -4.857 -9.095 -2.068 778 HG22 VAL 104 2HG2 VAL 104 -6.503 -8.497 -2.270 779 HG23 VAL 104 3HG2 VAL 104 -5.264 -7.451 -1.576 780 H GLN 105 H GLN 105 -4.130 -11.190 1.247 781 HA GLN 105 HA GLN 105 -1.481 -11.120 0.151 782 HB2 GLN 105 1HB GLN 105 -1.600 -13.632 0.666 783 HB3 GLN 105 2HB GLN 105 -1.697 -12.516 2.021 784 HG2 GLN 105 1HG GLN 105 -4.233 -13.415 0.769 785 HG3 GLN 105 2HG GLN 105 -3.342 -14.560 1.773 786 HE21 GLN 105 1HE2 GLN 105 -2.343 -13.030 3.744 787 HE22 GLN 105 2HE2 GLN 105 -3.616 -12.308 4.663 788 H SER 106 H SER 106 -0.752 -11.881 -1.762 789 HA SER 106 HA SER 106 -2.464 -12.082 -3.951 790 HB2 SER 106 1HB SER 106 0.344 -13.180 -3.666 791 HB3 SER 106 2HB SER 106 -0.504 -12.921 -5.191 792 HG SER 106 HG SER 106 0.879 -11.174 -4.680 793 H GLU 107 H GLU 107 -3.579 -13.698 -4.868 794 HA GLU 107 HA GLU 107 -3.311 -16.377 -3.676 795 HB2 GLU 107 1HB GLU 107 -5.492 -15.314 -3.290 796 HB3 GLU 107 2HB GLU 107 -5.708 -15.123 -5.024 797 HG2 GLU 107 1HG GLU 107 -5.763 -17.519 -5.319 798 HG3 GLU 107 2HG GLU 107 -5.439 -17.762 -3.605 799 H ILE 108 H ILE 108 -1.824 -17.301 -5.026 800 HA ILE 108 HA ILE 108 -1.633 -17.005 -7.784 801 HB ILE 108 HB ILE 108 -0.932 -19.449 -6.153 802 HG12 ILE 108 1HG1 ILE 108 0.189 -17.450 -5.320 803 HG13 ILE 108 2HG1 ILE 108 1.346 -18.489 -6.143 804 HG21 ILE 108 1HG2 ILE 108 -1.111 -19.486 -8.784 805 HG22 ILE 108 2HG2 ILE 108 0.469 -18.712 -8.669 806 HG23 ILE 108 3HG2 ILE 108 0.210 -20.297 -7.943 807 HD11 ILE 108 1HD1 ILE 108 1.970 -16.705 -7.293 808 HD12 ILE 108 2HD1 ILE 108 0.412 -16.772 -8.115 809 HD13 ILE 108 3HD1 ILE 108 0.612 -15.761 -6.684 810 H GLY 109 H GLY 109 -3.153 -19.711 -6.012 811 HA2 GLY 109 1HA GLY 109 -5.076 -20.894 -6.541 812 HA3 GLY 109 2HA GLY 109 -5.293 -19.850 -7.938 813 H ASP 110 H ASP 110 -5.942 -22.040 -8.810 814 HA ASP 110 HA ASP 110 -4.100 -24.090 -9.267 815 HB2 ASP 110 1HB ASP 110 -6.423 -24.512 -9.650 816 HB3 ASP 110 2HB ASP 110 -6.527 -23.213 -10.834 817 H SER 111 H SER 111 -2.105 -23.434 -9.951 818 HA SER 111 HA SER 111 -1.958 -21.927 -12.470 819 HB2 SER 111 1HB SER 111 0.429 -21.541 -11.835 820 HB3 SER 111 2HB SER 111 -0.719 -20.886 -10.667 821 HG SER 111 HG SER 111 1.232 -22.626 -10.241 822 H GLY 112 H GLY 112 -1.624 -23.068 -14.252 823 HA2 GLY 112 1HA GLY 112 -0.264 -24.479 -15.601 824 HA3 GLY 112 2HA GLY 112 0.222 -25.347 -14.152 825 HA PRO 113 HA PRO 113 -4.233 -26.870 -15.336 826 HB2 PRO 113 1HB PRO 113 -5.051 -26.250 -17.849 827 HB3 PRO 113 2HB PRO 113 -5.390 -25.227 -16.449 828 HG2 PRO 113 1HG PRO 113 -3.254 -24.945 -18.526 829 HG3 PRO 113 2HG PRO 113 -4.290 -23.697 -17.811 830 HD2 PRO 113 1HD PRO 113 -1.732 -24.095 -17.021 831 HD3 PRO 113 2HD PRO 113 -2.999 -23.535 -15.909 832 H SER 114 H SER 114 -1.435 -26.829 -17.312 833 HA SER 114 HA SER 114 -2.140 -29.448 -18.461 834 HB2 SER 114 1HB SER 114 -1.645 -27.647 -20.110 835 HB3 SER 114 2HB SER 114 -0.026 -27.504 -19.424 836 HG SER 114 HG SER 114 -0.101 -29.963 -19.899 837 H SER 115 H SER 115 -0.891 -31.191 -18.052 838 HA SER 115 HA SER 115 1.428 -30.780 -16.280 839 HB2 SER 115 1HB SER 115 0.970 -33.027 -15.379 840 HB3 SER 115 2HB SER 115 -0.420 -31.961 -15.178 841 HG SER 115 HG SER 115 -1.403 -33.605 -16.084 842 H GLY 116 H GLY 116 3.346 -31.273 -17.101 843 HA2 GLY 116 1HA GLY 116 4.870 -31.936 -18.721 844 HA3 GLY 116 2HA GLY 116 4.242 -33.516 -18.277 Start of MODEL 17 1 H1 GLY 1 H GLY 1 4.414 -34.943 -5.239 2 HA2 GLY 1 1HA GLY 1 5.394 -35.095 -2.785 3 HA3 GLY 1 2HA GLY 1 5.943 -36.638 -3.420 4 H SER 2 H SER 2 6.881 -36.240 -5.820 5 HA SER 2 HA SER 2 9.290 -34.802 -5.402 6 HB2 SER 2 1HB SER 2 9.841 -35.436 -7.700 7 HB3 SER 2 2HB SER 2 9.152 -36.811 -6.837 8 HG SER 2 HG SER 2 8.328 -36.337 -9.036 9 H SER 3 H SER 3 9.510 -32.676 -5.468 10 HA SER 3 HA SER 3 7.590 -31.024 -6.869 11 HB2 SER 3 1HB SER 3 8.688 -29.150 -5.802 12 HB3 SER 3 2HB SER 3 8.464 -30.425 -4.604 13 HG SER 3 HG SER 3 10.764 -30.968 -5.553 14 H GLY 4 H GLY 4 7.902 -29.945 -8.739 15 HA2 GLY 4 1HA GLY 4 10.224 -30.657 -10.319 16 HA3 GLY 4 2HA GLY 4 8.820 -29.754 -10.871 17 H SER 5 H SER 5 8.781 -27.520 -10.682 18 HA SER 5 HA SER 5 10.964 -26.125 -9.405 19 HB2 SER 5 1HB SER 5 10.820 -26.486 -12.357 20 HB3 SER 5 2HB SER 5 11.285 -24.894 -11.757 21 HG SER 5 HG SER 5 12.967 -25.886 -10.602 22 H SER 6 H SER 6 10.756 -23.685 -9.890 23 HA SER 6 HA SER 6 7.897 -22.991 -10.073 24 HB2 SER 6 1HB SER 6 8.785 -22.840 -7.748 25 HB3 SER 6 2HB SER 6 9.957 -21.647 -8.308 26 HG SER 6 HG SER 6 7.898 -20.563 -9.131 27 H GLY 7 H GLY 7 7.698 -22.094 -12.039 28 HA2 GLY 7 1HA GLY 7 9.137 -19.626 -12.556 29 HA3 GLY 7 2HA GLY 7 9.459 -20.926 -13.695 30 H ILE 8 H ILE 8 7.580 -18.270 -13.124 31 HA ILE 8 HA ILE 8 5.130 -19.193 -14.319 32 HB ILE 8 HB ILE 8 4.533 -16.758 -14.356 33 HG12 ILE 8 1HG1 ILE 8 7.088 -16.382 -12.791 34 HG13 ILE 8 2HG1 ILE 8 6.961 -16.022 -14.509 35 HG21 ILE 8 1HG2 ILE 8 5.098 -18.416 -12.015 36 HG22 ILE 8 2HG2 ILE 8 4.965 -16.695 -11.661 37 HG23 ILE 8 3HG2 ILE 8 3.636 -17.535 -12.457 38 HD11 ILE 8 1HD1 ILE 8 6.711 -14.017 -13.172 39 HD12 ILE 8 2HD1 ILE 8 5.215 -14.384 -14.031 40 HD13 ILE 8 3HD1 ILE 8 5.355 -14.743 -12.310 41 HA PRO 9 HA PRO 9 6.217 -18.672 -18.553 42 HB2 PRO 9 1HB PRO 9 3.738 -18.298 -19.594 43 HB3 PRO 9 2HB PRO 9 4.316 -19.871 -19.032 44 HG2 PRO 9 1HG PRO 9 2.558 -17.891 -17.636 45 HG3 PRO 9 2HG PRO 9 2.402 -19.655 -17.731 46 HD2 PRO 9 1HD PRO 9 3.427 -18.397 -15.563 47 HD3 PRO 9 2HD PRO 9 3.968 -20.008 -16.077 48 H GLY 10 H GLY 10 6.845 -17.019 -19.825 49 HA2 GLY 10 1HA GLY 10 7.254 -14.843 -20.450 50 HA3 GLY 10 2HA GLY 10 5.501 -14.701 -20.439 51 H SER 11 H SER 11 6.488 -12.429 -19.900 52 HA SER 11 HA SER 11 7.393 -11.971 -17.250 53 HB2 SER 11 1HB SER 11 7.013 -9.597 -17.744 54 HB3 SER 11 2HB SER 11 7.829 -10.392 -19.090 55 HG SER 11 HG SER 11 6.155 -9.129 -19.886 56 HA PRO 12 HA PRO 12 3.660 -12.037 -14.933 57 HB2 PRO 12 1HB PRO 12 4.272 -10.254 -12.981 58 HB3 PRO 12 2HB PRO 12 4.981 -11.871 -13.060 59 HG2 PRO 12 1HG PRO 12 6.133 -9.254 -13.944 60 HG3 PRO 12 2HG PRO 12 6.915 -10.581 -13.066 61 HD2 PRO 12 1HD PRO 12 7.239 -10.205 -15.728 62 HD3 PRO 12 2HD PRO 12 7.255 -11.816 -14.983 63 H PHE 13 H PHE 13 4.907 -8.993 -16.127 64 HA PHE 13 HA PHE 13 2.572 -7.462 -15.503 65 HB2 PHE 13 1HB PHE 13 5.048 -6.997 -17.122 66 HB3 PHE 13 2HB PHE 13 3.683 -5.900 -17.300 67 HD1 PHE 13 2HD PHE 13 2.699 -4.997 -15.031 68 HD2 PHE 13 1HD PHE 13 6.636 -6.533 -15.532 69 HE1 PHE 13 2HE PHE 13 3.431 -3.763 -13.032 70 HE2 PHE 13 1HE PHE 13 7.374 -5.304 -13.533 71 HZ PHE 13 HZ PHE 13 5.771 -3.915 -12.281 72 H THR 14 H THR 14 0.865 -6.903 -16.791 73 HA THR 14 HA THR 14 0.756 -7.625 -19.573 74 HB THR 14 HB THR 14 0.255 -9.801 -18.514 75 HG1 THR 14 1HG THR 14 -1.779 -10.081 -19.636 76 HG21 THR 14 1HG2 THR 14 -1.269 -10.105 -16.877 77 HG22 THR 14 2HG2 THR 14 -2.393 -8.936 -17.567 78 HG23 THR 14 3HG2 THR 14 -1.032 -8.382 -16.593 79 H ALA 15 H ALA 15 -1.135 -6.825 -20.637 80 HA ALA 15 HA ALA 15 -3.066 -5.299 -19.122 81 HB1 ALA 15 1HB ALA 15 -0.788 -4.019 -20.457 82 HB2 ALA 15 2HB ALA 15 -2.362 -3.323 -20.845 83 HB3 ALA 15 3HB ALA 15 -1.832 -3.424 -19.166 84 H LYS 16 H LYS 16 -4.975 -5.192 -20.159 85 HA LYS 16 HA LYS 16 -5.029 -5.752 -23.046 86 HB2 LYS 16 1HB LYS 16 -5.662 -7.691 -21.355 87 HB3 LYS 16 2HB LYS 16 -7.200 -6.841 -21.309 88 HG2 LYS 16 1HG LYS 16 -7.721 -7.373 -23.461 89 HG3 LYS 16 2HG LYS 16 -6.032 -7.451 -23.968 90 HD2 LYS 16 1HD LYS 16 -6.864 -9.676 -24.005 91 HD3 LYS 16 2HD LYS 16 -5.827 -9.545 -22.583 92 HE2 LYS 16 1HE LYS 16 -8.057 -8.944 -21.367 93 HE3 LYS 16 2HE LYS 16 -8.805 -9.734 -22.754 94 HZ1 LYS 16 1HZ LYS 16 -7.726 -10.935 -20.496 95 HZ2 LYS 16 2HZ LYS 16 -6.698 -11.332 -21.779 96 HZ3 LYS 16 3HZ LYS 16 -8.347 -11.697 -21.872 97 H ILE 17 H ILE 17 -6.867 -4.932 -24.170 98 HA ILE 17 HA ILE 17 -7.637 -2.357 -23.468 99 HB ILE 17 HB ILE 17 -9.326 -2.505 -25.224 100 HG12 ILE 17 1HG1 ILE 17 -8.620 -5.434 -25.447 101 HG13 ILE 17 2HG1 ILE 17 -10.051 -4.844 -24.610 102 HG21 ILE 17 1HG2 ILE 17 -6.568 -3.505 -25.645 103 HG22 ILE 17 2HG2 ILE 17 -7.690 -3.612 -27.002 104 HG23 ILE 17 3HG2 ILE 17 -7.354 -2.049 -26.258 105 HD11 ILE 17 1HD1 ILE 17 -11.149 -4.426 -26.520 106 HD12 ILE 17 2HD1 ILE 17 -9.702 -3.866 -27.357 107 HD13 ILE 17 3HD1 ILE 17 -10.011 -5.594 -27.188 108 H THR 18 H THR 18 -8.908 -5.390 -22.449 109 HA THR 18 HA THR 18 -11.382 -4.193 -21.460 110 HB THR 18 HB THR 18 -11.946 -6.522 -20.749 111 HG1 THR 18 1HG THR 18 -9.803 -7.324 -20.566 112 HG21 THR 18 1HG2 THR 18 -12.940 -6.652 -22.736 113 HG22 THR 18 2HG2 THR 18 -11.422 -7.150 -23.481 114 HG23 THR 18 3HG2 THR 18 -11.826 -5.438 -23.364 115 H ASP 19 H ASP 19 -10.903 -2.975 -19.697 116 HA ASP 19 HA ASP 19 -8.997 -3.671 -17.725 117 HB2 ASP 19 1HB ASP 19 -10.161 -1.372 -18.302 118 HB3 ASP 19 2HB ASP 19 -11.311 -1.893 -17.074 119 H ASP 20 H ASP 20 -9.567 -3.971 -15.388 120 HA ASP 20 HA ASP 20 -11.653 -6.026 -15.181 121 HB2 ASP 20 1HB ASP 20 -9.385 -5.441 -13.267 122 HB3 ASP 20 2HB ASP 20 -10.470 -6.828 -13.219 123 H SER 21 H SER 21 -10.349 -3.237 -13.398 124 HA SER 21 HA SER 21 -11.374 -1.690 -12.072 125 HB2 SER 21 1HB SER 21 -13.249 -2.087 -13.898 126 HB3 SER 21 2HB SER 21 -14.085 -2.857 -12.551 127 HG SER 21 HG SER 21 -14.511 -0.949 -11.806 128 H ARG 22 H ARG 22 -10.486 -4.265 -11.101 129 HA ARG 22 HA ARG 22 -11.943 -5.741 -9.436 130 HB2 ARG 22 1HB ARG 22 -9.452 -4.411 -8.383 131 HB3 ARG 22 2HB ARG 22 -10.061 -6.020 -8.018 132 HG2 ARG 22 1HG ARG 22 -8.441 -6.608 -9.476 133 HG3 ARG 22 2HG ARG 22 -9.726 -6.300 -10.645 134 HD2 ARG 22 1HD ARG 22 -8.085 -5.040 -11.590 135 HD3 ARG 22 2HD ARG 22 -8.750 -3.836 -10.486 136 HE ARG 22 HE ARG 22 -6.637 -5.384 -9.321 137 HH11 ARG 22 1HH1 ARG 22 -7.374 -2.636 -11.328 138 HH12 ARG 22 2HH1 ARG 22 -5.885 -1.820 -10.982 139 HH21 ARG 22 1HH2 ARG 22 -4.674 -4.320 -8.858 140 HH22 ARG 22 2HH2 ARG 22 -4.349 -2.779 -9.578 141 H ARG 23 H ARG 23 -12.752 -5.656 -7.310 142 HA ARG 23 HA ARG 23 -13.819 -3.074 -6.582 143 HB2 ARG 23 1HB ARG 23 -15.319 -4.927 -6.409 144 HB3 ARG 23 2HB ARG 23 -14.172 -5.844 -5.442 145 HG2 ARG 23 1HG ARG 23 -15.585 -5.136 -3.807 146 HG3 ARG 23 2HG ARG 23 -14.436 -3.796 -3.806 147 HD2 ARG 23 1HD ARG 23 -16.052 -2.770 -5.571 148 HD3 ARG 23 2HD ARG 23 -17.215 -3.913 -4.902 149 HE ARG 23 HE ARG 23 -17.436 -2.518 -3.120 150 HH11 ARG 23 1HH1 ARG 23 -14.326 -1.948 -4.575 151 HH12 ARG 23 2HH1 ARG 23 -13.920 -0.644 -3.508 152 HH21 ARG 23 1HH2 ARG 23 -16.914 -0.804 -1.708 153 HH22 ARG 23 2HH2 ARG 23 -15.393 0.005 -1.877 154 H CYS 24 H CYS 24 -11.980 -5.575 -4.818 155 HA CYS 24 HA CYS 24 -11.170 -3.593 -2.850 156 HB2 CYS 24 1HB CYS 24 -10.219 -5.491 -1.627 157 HB3 CYS 24 2HB CYS 24 -11.893 -5.805 -2.071 158 HG CYS 24 HG CYS 24 -9.845 -6.946 -4.401 159 H SER 25 H SER 25 -9.056 -2.980 -2.443 160 HA SER 25 HA SER 25 -7.320 -2.962 -4.718 161 HB2 SER 25 1HB SER 25 -7.644 -1.147 -2.867 162 HB3 SER 25 2HB SER 25 -6.451 -2.093 -1.978 163 HG SER 25 HG SER 25 -6.088 -0.383 -4.034 164 H GLN 26 H GLN 26 -5.666 -4.265 -5.184 165 HA GLN 26 HA GLN 26 -5.019 -6.396 -3.286 166 HB2 GLN 26 1HB GLN 26 -5.670 -6.986 -5.614 167 HB3 GLN 26 2HB GLN 26 -4.247 -6.135 -6.196 168 HG2 GLN 26 1HG GLN 26 -3.991 -8.353 -4.210 169 HG3 GLN 26 2HG GLN 26 -4.158 -8.692 -5.931 170 HE21 GLN 26 1HE2 GLN 26 -1.976 -8.387 -3.559 171 HE22 GLN 26 2HE2 GLN 26 -0.597 -7.880 -4.467 172 H VAL 27 H VAL 27 -3.136 -6.497 -2.239 173 HA VAL 27 HA VAL 27 -0.854 -4.947 -3.236 174 HB VAL 27 HB VAL 27 -1.400 -4.928 -0.297 175 HG11 VAL 27 1HG1 VAL 27 0.427 -3.669 -0.301 176 HG12 VAL 27 2HG1 VAL 27 0.539 -3.841 -2.053 177 HG13 VAL 27 3HG1 VAL 27 -0.366 -2.498 -1.354 178 HG21 VAL 27 1HG2 VAL 27 -3.465 -4.084 -1.022 179 HG22 VAL 27 2HG2 VAL 27 -2.489 -2.652 -0.694 180 HG23 VAL 27 3HG2 VAL 27 -2.731 -3.192 -2.356 181 H LYS 28 H LYS 28 1.199 -5.631 -2.383 182 HA LYS 28 HA LYS 28 1.230 -8.488 -1.822 183 HB2 LYS 28 1HB LYS 28 3.582 -6.647 -2.279 184 HB3 LYS 28 2HB LYS 28 3.578 -8.404 -2.354 185 HG2 LYS 28 1HG LYS 28 1.929 -6.710 -4.205 186 HG3 LYS 28 2HG LYS 28 3.596 -7.168 -4.559 187 HD2 LYS 28 1HD LYS 28 2.671 -9.581 -3.987 188 HD3 LYS 28 2HD LYS 28 1.139 -8.843 -4.458 189 HE2 LYS 28 1HE LYS 28 2.004 -9.795 -6.428 190 HE3 LYS 28 2HE LYS 28 2.334 -8.069 -6.563 191 HZ1 LYS 28 1HZ LYS 28 4.599 -8.549 -5.714 192 HZ2 LYS 28 2HZ LYS 28 4.273 -9.254 -7.216 193 HZ3 LYS 28 3HZ LYS 28 4.255 -10.203 -5.815 194 H LEU 29 H LEU 29 1.280 -9.200 0.196 195 HA LEU 29 HA LEU 29 1.818 -7.496 2.417 196 HB2 LEU 29 1HB LEU 29 0.288 -9.563 2.274 197 HB3 LEU 29 2HB LEU 29 1.761 -10.490 2.548 198 HG LEU 29 HG LEU 29 2.049 -9.100 4.665 199 HD11 LEU 29 1HD1 LEU 29 -0.715 -8.646 5.103 200 HD12 LEU 29 2HD1 LEU 29 -0.261 -7.841 3.602 201 HD13 LEU 29 3HD1 LEU 29 0.606 -7.477 5.094 202 HD21 LEU 29 1HD2 LEU 29 -0.186 -11.080 4.300 203 HD22 LEU 29 2HD2 LEU 29 0.322 -10.486 5.882 204 HD23 LEU 29 3HD2 LEU 29 1.457 -11.379 4.869 205 H GLY 30 H GLY 30 3.619 -7.275 3.643 206 HA2 GLY 30 1HA GLY 30 5.772 -7.624 4.413 207 HA3 GLY 30 2HA GLY 30 5.807 -9.134 3.514 208 H SER 31 H SER 31 4.918 -6.335 1.745 209 HA SER 31 HA SER 31 7.642 -5.793 0.870 210 HB2 SER 31 1HB SER 31 5.507 -6.620 -1.109 211 HB3 SER 31 2HB SER 31 7.177 -6.191 -1.477 212 HG SER 31 HG SER 31 6.798 -8.476 -1.375 213 H ALA 32 H ALA 32 7.934 -3.714 0.289 214 HA ALA 32 HA ALA 32 6.067 -1.757 0.910 215 HB1 ALA 32 1HB ALA 32 8.599 -1.547 0.586 216 HB2 ALA 32 2HB ALA 32 8.228 -1.307 -1.122 217 HB3 ALA 32 3HB ALA 32 7.590 -0.190 0.085 218 H ALA 33 H ALA 33 4.365 -0.914 -0.110 219 HA ALA 33 HA ALA 33 4.116 -1.298 -3.013 220 HB1 ALA 33 1HB ALA 33 1.731 -1.567 -1.220 221 HB2 ALA 33 2HB ALA 33 1.935 -2.103 -2.888 222 HB3 ALA 33 3HB ALA 33 2.762 -2.951 -1.582 223 H ASP 34 H ASP 34 3.630 0.513 -4.072 224 HA ASP 34 HA ASP 34 3.233 2.962 -2.644 225 HB2 ASP 34 1HB ASP 34 4.504 2.670 -4.835 226 HB3 ASP 34 2HB ASP 34 2.930 2.566 -5.619 227 H PHE 35 H PHE 35 1.450 4.432 -2.963 228 HA PHE 35 HA PHE 35 -1.065 3.191 -3.810 229 HB2 PHE 35 1HB PHE 35 -0.585 4.517 -1.137 230 HB3 PHE 35 2HB PHE 35 -2.186 4.165 -1.781 231 HD1 PHE 35 2HD PHE 35 -2.890 1.815 -2.112 232 HD2 PHE 35 1HD PHE 35 0.749 2.831 -0.152 233 HE1 PHE 35 2HE PHE 35 -2.775 -0.450 -1.158 234 HE2 PHE 35 1HE PHE 35 0.870 0.567 0.804 235 HZ PHE 35 HZ PHE 35 -0.894 -1.077 0.303 236 H LEU 36 H LEU 36 -1.952 4.468 -5.280 237 HA LEU 36 HA LEU 36 -1.231 7.276 -5.414 238 HB2 LEU 36 1HB LEU 36 -1.392 5.687 -7.399 239 HB3 LEU 36 2HB LEU 36 -3.141 5.820 -7.221 240 HG LEU 36 HG LEU 36 -2.863 8.310 -7.530 241 HD11 LEU 36 1HD1 LEU 36 -0.069 7.408 -8.161 242 HD12 LEU 36 2HD1 LEU 36 -0.593 8.689 -7.069 243 HD13 LEU 36 3HD1 LEU 36 -0.748 8.900 -8.812 244 HD21 LEU 36 1HD2 LEU 36 -2.238 7.928 -10.062 245 HD22 LEU 36 2HD2 LEU 36 -3.755 7.329 -9.392 246 HD23 LEU 36 3HD2 LEU 36 -2.390 6.233 -9.606 247 H LEU 37 H LEU 37 -2.339 8.741 -4.315 248 HA LEU 37 HA LEU 37 -5.250 8.390 -4.043 249 HB2 LEU 37 1HB LEU 37 -5.241 8.972 -1.826 250 HB3 LEU 37 2HB LEU 37 -3.747 8.043 -1.949 251 HG LEU 37 HG LEU 37 -3.701 11.030 -2.186 252 HD11 LEU 37 1HD1 LEU 37 -3.347 11.198 0.212 253 HD12 LEU 37 2HD1 LEU 37 -3.633 9.467 0.392 254 HD13 LEU 37 3HD1 LEU 37 -4.941 10.526 -0.136 255 HD21 LEU 37 1HD2 LEU 37 -1.463 10.827 -1.892 256 HD22 LEU 37 2HD2 LEU 37 -1.769 9.229 -2.572 257 HD23 LEU 37 3HD2 LEU 37 -1.616 9.429 -0.827 258 H ASP 38 H ASP 38 -6.512 10.200 -4.294 259 HA ASP 38 HA ASP 38 -5.202 12.471 -5.561 260 HB2 ASP 38 1HB ASP 38 -8.172 12.144 -5.199 261 HB3 ASP 38 2HB ASP 38 -7.310 13.048 -6.440 262 H ILE 39 H ILE 39 -4.356 13.814 -4.061 263 HA ILE 39 HA ILE 39 -6.217 14.903 -2.054 264 HB ILE 39 HB ILE 39 -4.058 15.338 -0.694 265 HG12 ILE 39 1HG1 ILE 39 -3.140 12.951 -2.304 266 HG13 ILE 39 2HG1 ILE 39 -2.569 14.593 -2.585 267 HG21 ILE 39 1HG2 ILE 39 -5.914 13.800 -0.091 268 HG22 ILE 39 2HG2 ILE 39 -5.058 12.507 -0.929 269 HG23 ILE 39 3HG2 ILE 39 -4.335 13.267 0.488 270 HD11 ILE 39 1HD1 ILE 39 -1.023 13.240 -1.234 271 HD12 ILE 39 2HD1 ILE 39 -1.599 14.675 -0.387 272 HD13 ILE 39 3HD1 ILE 39 -2.270 13.093 0.004 273 H SER 40 H SER 40 -6.186 17.095 -1.733 274 HA SER 40 HA SER 40 -4.935 18.659 -3.827 275 HB2 SER 40 1HB SER 40 -6.991 19.201 -1.712 276 HB3 SER 40 2HB SER 40 -6.175 20.553 -2.499 277 HG SER 40 HG SER 40 -7.784 18.546 -3.676 278 H GLU 41 H GLU 41 -3.285 17.404 -1.721 279 HA GLU 41 HA GLU 41 -2.010 19.855 -0.700 280 HB2 GLU 41 1HB GLU 41 -2.187 17.178 0.697 281 HB3 GLU 41 2HB GLU 41 -1.286 18.571 1.280 282 HG2 GLU 41 1HG GLU 41 -3.502 18.219 2.365 283 HG3 GLU 41 2HG GLU 41 -3.271 19.813 1.647 284 H THR 42 H THR 42 -0.060 20.152 -1.527 285 HA THR 42 HA THR 42 1.371 17.860 -2.668 286 HB THR 42 HB THR 42 1.053 19.679 -4.226 287 HG1 THR 42 1HG THR 42 3.270 18.564 -3.815 288 HG21 THR 42 1HG2 THR 42 2.726 21.713 -3.165 289 HG22 THR 42 2HG2 THR 42 1.528 21.306 -1.938 290 HG23 THR 42 3HG2 THR 42 1.009 21.799 -3.549 291 H ASP 43 H ASP 43 1.570 20.292 -0.191 292 HA ASP 43 HA ASP 43 4.323 20.169 0.358 293 HB2 ASP 43 1HB ASP 43 1.965 20.825 2.130 294 HB3 ASP 43 2HB ASP 43 3.642 20.992 2.646 295 H LEU 44 H LEU 44 5.325 18.277 0.664 296 HA LEU 44 HA LEU 44 4.115 16.008 1.870 297 HB2 LEU 44 1HB LEU 44 6.806 16.733 0.873 298 HB3 LEU 44 2HB LEU 44 6.717 15.413 2.037 299 HG LEU 44 HG LEU 44 4.913 15.308 -0.324 300 HD11 LEU 44 1HD1 LEU 44 7.227 16.005 -1.111 301 HD12 LEU 44 2HD1 LEU 44 6.557 14.531 -1.807 302 HD13 LEU 44 3HD1 LEU 44 7.777 14.430 -0.537 303 HD21 LEU 44 1HD2 LEU 44 6.256 12.893 0.175 304 HD22 LEU 44 2HD2 LEU 44 4.584 13.299 0.560 305 HD23 LEU 44 3HD2 LEU 44 5.854 13.572 1.752 306 H SER 45 H SER 45 6.926 17.897 2.998 307 HA SER 45 HA SER 45 7.152 16.897 5.528 308 HB2 SER 45 1HB SER 45 7.482 19.821 4.819 309 HB3 SER 45 2HB SER 45 8.251 18.967 6.156 310 HG SER 45 HG SER 45 9.578 19.244 4.241 311 H SER 46 H SER 46 5.142 19.677 4.574 312 HA SER 46 HA SER 46 4.068 20.362 7.001 313 HB2 SER 46 1HB SER 46 2.686 20.309 4.309 314 HB3 SER 46 2HB SER 46 2.070 21.151 5.731 315 HG SER 46 HG SER 46 4.389 22.092 5.619 316 H LEU 47 H LEU 47 3.115 17.712 4.883 317 HA LEU 47 HA LEU 47 0.959 16.926 6.665 318 HB2 LEU 47 1HB LEU 47 1.997 15.601 4.164 319 HB3 LEU 47 2HB LEU 47 0.526 15.167 5.033 320 HG LEU 47 HG LEU 47 0.981 17.827 3.686 321 HD11 LEU 47 1HD1 LEU 47 -0.210 15.266 2.704 322 HD12 LEU 47 2HD1 LEU 47 0.887 16.377 1.886 323 HD13 LEU 47 3HD1 LEU 47 -0.806 16.816 2.108 324 HD21 LEU 47 1HD2 LEU 47 -0.774 18.421 4.922 325 HD22 LEU 47 2HD2 LEU 47 -1.051 16.766 5.463 326 HD23 LEU 47 3HD2 LEU 47 -1.727 17.317 3.930 327 H THR 48 H THR 48 0.823 14.760 7.545 328 HA THR 48 HA THR 48 3.477 13.652 8.195 329 HB THR 48 HB THR 48 1.129 13.172 9.979 330 HG1 THR 48 1HG THR 48 1.104 15.419 9.747 331 HG21 THR 48 1HG2 THR 48 4.063 13.008 10.093 332 HG22 THR 48 2HG2 THR 48 2.841 12.064 10.943 333 HG23 THR 48 3HG2 THR 48 3.296 13.659 11.542 334 H ALA 49 H ALA 49 3.710 11.404 8.310 335 HA ALA 49 HA ALA 49 1.542 9.880 7.017 336 HB1 ALA 49 1HB ALA 49 4.520 9.439 6.825 337 HB2 ALA 49 2HB ALA 49 3.283 8.416 6.091 338 HB3 ALA 49 3HB ALA 49 3.473 10.087 5.562 339 H SER 50 H SER 50 0.640 8.352 8.220 340 HA SER 50 HA SER 50 2.227 6.790 10.077 341 HB2 SER 50 1HB SER 50 0.207 8.803 10.943 342 HB3 SER 50 2HB SER 50 0.250 7.266 11.806 343 HG SER 50 HG SER 50 1.649 9.031 12.607 344 H ILE 51 H ILE 51 1.429 4.763 10.386 345 HA ILE 51 HA ILE 51 -1.283 4.164 9.456 346 HB ILE 51 HB ILE 51 1.172 2.665 8.535 347 HG12 ILE 51 1HG1 ILE 51 -0.845 4.271 6.952 348 HG13 ILE 51 2HG1 ILE 51 0.766 4.830 7.383 349 HG21 ILE 51 1HG2 ILE 51 -0.169 0.914 8.278 350 HG22 ILE 51 2HG2 ILE 51 -1.567 1.853 8.801 351 HG23 ILE 51 3HG2 ILE 51 -1.093 1.850 7.103 352 HD11 ILE 51 1HD1 ILE 51 1.571 2.708 6.156 353 HD12 ILE 51 2HD1 ILE 51 -0.041 2.714 5.441 354 HD13 ILE 51 3HD1 ILE 51 1.032 4.096 5.214 355 H LYS 52 H LYS 52 -2.274 2.473 10.493 356 HA LYS 52 HA LYS 52 -0.712 0.882 12.387 357 HB2 LYS 52 1HB LYS 52 -1.559 2.812 13.656 358 HB3 LYS 52 2HB LYS 52 -3.197 2.428 13.147 359 HG2 LYS 52 1HG LYS 52 -3.161 1.501 15.236 360 HG3 LYS 52 2HG LYS 52 -2.683 0.115 14.252 361 HD2 LYS 52 1HD LYS 52 -0.533 0.146 15.010 362 HD3 LYS 52 2HD LYS 52 -0.529 1.893 15.255 363 HE2 LYS 52 1HE LYS 52 -2.302 0.243 16.976 364 HE3 LYS 52 2HE LYS 52 -0.567 0.184 17.284 365 HZ1 LYS 52 1HZ LYS 52 -2.233 2.032 18.291 366 HZ2 LYS 52 2HZ LYS 52 -1.632 2.845 16.937 367 HZ3 LYS 52 3HZ LYS 52 -0.566 2.249 18.107 368 H ALA 53 H ALA 53 -1.071 -1.093 11.574 369 HA ALA 53 HA ALA 53 -3.119 -2.042 10.063 370 HB1 ALA 53 1HB ALA 53 -1.961 -3.926 10.234 371 HB2 ALA 53 2HB ALA 53 -0.983 -3.174 11.496 372 HB3 ALA 53 3HB ALA 53 -2.421 -4.099 11.929 373 HA PRO 54 HA PRO 54 -6.800 -2.523 12.405 374 HB2 PRO 54 1HB PRO 54 -7.613 -5.058 11.872 375 HB3 PRO 54 2HB PRO 54 -7.681 -3.756 10.678 376 HG2 PRO 54 1HG PRO 54 -5.638 -5.920 11.008 377 HG3 PRO 54 2HG PRO 54 -6.382 -5.299 9.522 378 HD2 PRO 54 1HD PRO 54 -3.907 -4.557 10.335 379 HD3 PRO 54 2HD PRO 54 -4.986 -3.467 9.441 380 H SER 55 H SER 55 -4.215 -4.738 13.019 381 HA SER 55 HA SER 55 -5.461 -5.685 15.493 382 HB2 SER 55 1HB SER 55 -2.948 -6.546 14.045 383 HB3 SER 55 2HB SER 55 -3.462 -7.207 15.597 384 HG SER 55 HG SER 55 -5.501 -7.700 14.440 385 H GLY 56 H GLY 56 -3.995 -2.991 14.716 386 HA2 GLY 56 1HA GLY 56 -3.093 -1.377 16.128 387 HA3 GLY 56 2HA GLY 56 -2.912 -2.605 17.372 388 H ARG 57 H ARG 57 -1.659 -3.413 14.291 389 HA ARG 57 HA ARG 57 1.045 -3.289 15.360 390 HB2 ARG 57 1HB ARG 57 0.094 -4.407 12.719 391 HB3 ARG 57 2HB ARG 57 1.670 -4.656 13.458 392 HG2 ARG 57 1HG ARG 57 -0.894 -5.544 14.748 393 HG3 ARG 57 2HG ARG 57 0.039 -6.563 13.649 394 HD2 ARG 57 1HD ARG 57 1.395 -5.273 15.975 395 HD3 ARG 57 2HD ARG 57 0.407 -6.710 16.236 396 HE ARG 57 HE ARG 57 1.958 -7.974 15.054 397 HH11 ARG 57 1HH1 ARG 57 2.785 -4.593 14.989 398 HH12 ARG 57 2HH1 ARG 57 4.394 -4.864 14.406 399 HH21 ARG 57 1HH2 ARG 57 4.073 -8.344 14.285 400 HH22 ARG 57 2HH2 ARG 57 5.125 -6.997 14.005 401 H ASP 58 H ASP 58 2.194 -1.503 15.080 402 HA ASP 58 HA ASP 58 1.539 0.474 13.129 403 HB2 ASP 58 1HB ASP 58 2.464 1.344 15.099 404 HB3 ASP 58 2HB ASP 58 3.758 0.150 15.129 405 H GLU 59 H GLU 59 2.456 0.918 11.189 406 HA GLU 59 HA GLU 59 4.606 -0.881 10.281 407 HB2 GLU 59 1HB GLU 59 2.317 0.217 8.639 408 HB3 GLU 59 2HB GLU 59 3.620 -0.795 8.031 409 HG2 GLU 59 1HG GLU 59 2.868 -2.667 9.257 410 HG3 GLU 59 2HG GLU 59 1.759 -1.685 10.213 411 HA PRO 60 HA PRO 60 6.930 2.745 9.379 412 HB2 PRO 60 1HB PRO 60 8.628 1.718 7.526 413 HB3 PRO 60 2HB PRO 60 8.758 1.358 9.252 414 HG2 PRO 60 1HG PRO 60 7.532 -0.275 7.064 415 HG3 PRO 60 2HG PRO 60 8.571 -0.798 8.402 416 HD2 PRO 60 1HD PRO 60 5.881 -1.105 8.442 417 HD3 PRO 60 2HD PRO 60 6.831 -0.815 9.913 418 H CYS 61 H CYS 61 5.308 4.017 8.384 419 HA CYS 61 HA CYS 61 5.025 3.742 5.479 420 HB2 CYS 61 1HB CYS 61 3.056 5.090 5.652 421 HB3 CYS 61 2HB CYS 61 2.979 3.894 6.940 422 HG CYS 61 HG CYS 61 4.444 6.359 8.336 423 H LEU 62 H LEU 62 5.507 5.402 4.067 424 HA LEU 62 HA LEU 62 6.665 7.856 5.147 425 HB2 LEU 62 1HB LEU 62 8.384 5.943 4.625 426 HB3 LEU 62 2HB LEU 62 8.137 6.465 2.959 427 HG LEU 62 HG LEU 62 10.118 7.504 3.867 428 HD11 LEU 62 1HD1 LEU 62 8.033 9.658 3.819 429 HD12 LEU 62 2HD1 LEU 62 8.471 8.762 2.364 430 HD13 LEU 62 3HD1 LEU 62 9.692 9.703 3.219 431 HD21 LEU 62 1HD2 LEU 62 8.481 8.972 5.894 432 HD22 LEU 62 2HD2 LEU 62 10.224 8.706 5.841 433 HD23 LEU 62 3HD2 LEU 62 9.141 7.380 6.267 434 H LEU 63 H LEU 63 5.864 9.547 4.100 435 HA LEU 63 HA LEU 63 4.386 9.166 1.646 436 HB2 LEU 63 1HB LEU 63 4.714 11.339 3.638 437 HB3 LEU 63 2HB LEU 63 4.239 11.797 2.004 438 HG LEU 63 HG LEU 63 2.730 9.805 3.689 439 HD11 LEU 63 1HD1 LEU 63 1.079 11.805 3.763 440 HD12 LEU 63 2HD1 LEU 63 2.522 12.778 3.482 441 HD13 LEU 63 3HD1 LEU 63 2.421 11.742 4.906 442 HD21 LEU 63 1HD2 LEU 63 1.569 9.424 1.840 443 HD22 LEU 63 2HD2 LEU 63 2.621 10.523 0.947 444 HD23 LEU 63 3HD2 LEU 63 1.166 11.139 1.732 445 H LYS 64 H LYS 64 4.966 9.796 -0.360 446 HA LYS 64 HA LYS 64 7.351 11.452 -0.709 447 HB2 LYS 64 1HB LYS 64 8.341 9.925 -2.309 448 HB3 LYS 64 2HB LYS 64 8.101 9.093 -0.778 449 HG2 LYS 64 1HG LYS 64 6.170 7.954 -1.635 450 HG3 LYS 64 2HG LYS 64 6.237 8.886 -3.133 451 HD2 LYS 64 1HD LYS 64 7.178 6.733 -3.568 452 HD3 LYS 64 2HD LYS 64 8.500 7.903 -3.547 453 HE2 LYS 64 1HE LYS 64 8.865 7.264 -1.135 454 HE3 LYS 64 2HE LYS 64 7.729 5.940 -1.396 455 HZ1 LYS 64 1HZ LYS 64 9.160 4.948 -2.952 456 HZ2 LYS 64 2HZ LYS 64 10.156 5.394 -1.662 457 HZ3 LYS 64 3HZ LYS 64 10.138 6.323 -3.076 458 H ARG 65 H ARG 65 7.588 12.256 -2.931 459 HA ARG 65 HA ARG 65 4.997 12.955 -4.017 460 HB2 ARG 65 1HB ARG 65 6.604 14.730 -3.822 461 HB3 ARG 65 2HB ARG 65 7.806 13.811 -4.717 462 HG2 ARG 65 1HG ARG 65 7.036 15.336 -6.276 463 HG3 ARG 65 2HG ARG 65 6.106 13.883 -6.649 464 HD2 ARG 65 1HD ARG 65 4.149 14.768 -5.862 465 HD3 ARG 65 2HD ARG 65 4.965 15.817 -4.704 466 HE ARG 65 HE ARG 65 4.124 16.537 -7.284 467 HH11 ARG 65 1HH1 ARG 65 6.854 16.898 -5.154 468 HH12 ARG 65 2HH1 ARG 65 7.352 18.411 -5.836 469 HH21 ARG 65 1HH2 ARG 65 4.769 18.530 -8.190 470 HH22 ARG 65 2HH2 ARG 65 6.164 19.338 -7.562 471 H LEU 66 H LEU 66 4.110 12.214 -5.859 472 HA LEU 66 HA LEU 66 5.616 10.175 -7.347 473 HB2 LEU 66 1HB LEU 66 2.667 10.642 -6.982 474 HB3 LEU 66 2HB LEU 66 3.315 9.527 -8.185 475 HG LEU 66 HG LEU 66 3.753 9.291 -5.208 476 HD11 LEU 66 1HD1 LEU 66 1.655 8.542 -5.156 477 HD12 LEU 66 2HD1 LEU 66 2.254 7.139 -6.039 478 HD13 LEU 66 3HD1 LEU 66 1.538 8.491 -6.915 479 HD21 LEU 66 1HD2 LEU 66 4.091 6.909 -6.809 480 HD22 LEU 66 2HD2 LEU 66 5.194 7.655 -5.652 481 HD23 LEU 66 3HD2 LEU 66 5.177 8.197 -7.332 482 HA PRO 67 HA PRO 67 5.720 12.608 -10.999 483 HB2 PRO 67 1HB PRO 67 5.485 10.698 -12.915 484 HB3 PRO 67 2HB PRO 67 6.950 10.916 -11.950 485 HG2 PRO 67 1HG PRO 67 4.733 8.934 -11.607 486 HG3 PRO 67 2HG PRO 67 6.484 8.686 -11.483 487 HD2 PRO 67 1HD PRO 67 4.895 8.966 -9.309 488 HD3 PRO 67 2HD PRO 67 6.578 9.530 -9.340 489 H ASN 68 H ASN 68 4.506 13.193 -12.956 490 HA ASN 68 HA ASN 68 2.608 13.672 -14.126 491 HB2 ASN 68 1HB ASN 68 2.322 11.079 -13.827 492 HB3 ASN 68 2HB ASN 68 1.064 11.545 -12.686 493 HD21 ASN 68 1HD2 ASN 68 1.447 10.514 -15.672 494 HD22 ASN 68 2HD2 ASN 68 0.150 11.324 -16.478 495 H ASN 69 H ASN 69 3.241 14.766 -11.469 496 HA ASN 69 HA ASN 69 2.349 16.202 -9.949 497 HB2 ASN 69 1HB ASN 69 0.232 16.227 -12.087 498 HB3 ASN 69 2HB ASN 69 0.030 17.155 -10.604 499 HD21 ASN 69 1HD2 ASN 69 0.001 18.611 -12.757 500 HD22 ASN 69 2HD2 ASN 69 1.487 19.453 -13.010 501 H HIS 70 H HIS 70 2.178 13.598 -9.214 502 HA HIS 70 HA HIS 70 -0.370 13.540 -7.751 503 HB2 HIS 70 1HB HIS 70 0.957 11.139 -9.027 504 HB3 HIS 70 2HB HIS 70 -0.497 11.106 -8.032 505 HD1 HIS 70 1HD HIS 70 -1.650 13.762 -9.516 506 HD2 HIS 70 2HD HIS 70 -0.452 10.184 -11.255 507 HE1 HIS 70 1HE HIS 70 -2.857 13.648 -11.719 508 HE2 HIS 70 2HE HIS 70 -2.183 11.435 -12.715 509 H ILE 71 H ILE 71 -0.271 12.062 -5.836 510 HA ILE 71 HA ILE 71 2.420 11.666 -4.770 511 HB ILE 71 HB ILE 71 0.295 13.218 -3.288 512 HG12 ILE 71 1HG1 ILE 71 3.020 14.214 -4.090 513 HG13 ILE 71 2HG1 ILE 71 1.636 14.366 -5.169 514 HG21 ILE 71 1HG2 ILE 71 1.332 12.568 -1.436 515 HG22 ILE 71 2HG2 ILE 71 2.546 11.698 -2.373 516 HG23 ILE 71 3HG2 ILE 71 2.779 13.406 -1.999 517 HD11 ILE 71 1HD1 ILE 71 1.519 16.376 -4.138 518 HD12 ILE 71 2HD1 ILE 71 0.555 15.436 -2.998 519 HD13 ILE 71 3HD1 ILE 71 2.248 15.781 -2.646 520 H GLY 72 H GLY 72 2.589 10.023 -3.271 521 HA2 GLY 72 1HA GLY 72 0.149 8.739 -2.304 522 HA3 GLY 72 2HA GLY 72 1.186 7.782 -3.351 523 H ILE 73 H ILE 73 0.643 6.883 -0.841 524 HA ILE 73 HA ILE 73 2.950 7.585 0.819 525 HB ILE 73 HB ILE 73 0.636 7.450 1.814 526 HG12 ILE 73 1HG1 ILE 73 2.350 5.415 3.176 527 HG13 ILE 73 2HG1 ILE 73 2.986 7.042 2.961 528 HG21 ILE 73 1HG2 ILE 73 0.675 4.602 2.226 529 HG22 ILE 73 2HG2 ILE 73 -0.615 5.627 1.603 530 HG23 ILE 73 3HG2 ILE 73 0.604 4.983 0.506 531 HD11 ILE 73 1HD1 ILE 73 1.877 6.631 5.149 532 HD12 ILE 73 2HD1 ILE 73 1.204 7.979 4.232 533 HD13 ILE 73 3HD1 ILE 73 0.355 6.435 4.280 534 H SER 74 H SER 74 4.414 6.032 1.578 535 HA SER 74 HA SER 74 4.402 3.471 0.119 536 HB2 SER 74 1HB SER 74 6.085 4.912 -0.883 537 HB3 SER 74 2HB SER 74 6.779 5.253 0.703 538 HG SER 74 HG SER 74 7.662 3.463 -0.798 539 H PHE 75 H PHE 75 4.137 1.868 1.512 540 HA PHE 75 HA PHE 75 5.789 1.735 3.893 541 HB2 PHE 75 1HB PHE 75 4.082 1.620 5.480 542 HB3 PHE 75 2HB PHE 75 3.540 2.916 4.419 543 HD1 PHE 75 1HD PHE 75 1.714 2.526 2.821 544 HD2 PHE 75 2HD PHE 75 2.882 -0.427 5.655 545 HE1 PHE 75 1HE PHE 75 -0.410 1.338 2.453 546 HE2 PHE 75 2HE PHE 75 0.760 -1.620 5.291 547 HZ PHE 75 HZ PHE 75 -0.888 -0.738 3.687 548 H ILE 76 H ILE 76 5.455 -0.408 5.035 549 HA ILE 76 HA ILE 76 4.950 -2.492 3.014 550 HB ILE 76 HB ILE 76 6.786 -2.602 5.411 551 HG12 ILE 76 1HG1 ILE 76 7.571 -2.724 2.505 552 HG13 ILE 76 2HG1 ILE 76 7.455 -1.194 3.368 553 HG21 ILE 76 1HG2 ILE 76 7.354 -4.789 4.814 554 HG22 ILE 76 2HG2 ILE 76 5.598 -4.742 4.661 555 HG23 ILE 76 3HG2 ILE 76 6.611 -4.644 3.221 556 HD11 ILE 76 1HD1 ILE 76 9.439 -1.490 4.304 557 HD12 ILE 76 2HD1 ILE 76 9.023 -3.119 4.837 558 HD13 ILE 76 3HD1 ILE 76 9.659 -2.858 3.213 559 HA PRO 77 HA PRO 77 1.573 -3.338 5.903 560 HB2 PRO 77 1HB PRO 77 0.184 -4.882 4.154 561 HB3 PRO 77 2HB PRO 77 0.128 -3.115 4.130 562 HG2 PRO 77 1HG PRO 77 1.729 -4.982 2.424 563 HG3 PRO 77 2HG PRO 77 0.830 -3.528 1.953 564 HD2 PRO 77 1HD PRO 77 3.516 -3.534 2.300 565 HD3 PRO 77 2HD PRO 77 2.510 -2.112 2.650 566 H ARG 78 H ARG 78 1.495 -4.950 7.344 567 HA ARG 78 HA ARG 78 2.874 -7.462 6.685 568 HB2 ARG 78 1HB ARG 78 2.523 -5.900 9.200 569 HB3 ARG 78 2HB ARG 78 2.653 -7.649 9.327 570 HG2 ARG 78 1HG ARG 78 4.831 -6.813 9.613 571 HG3 ARG 78 2HG ARG 78 4.777 -7.463 7.973 572 HD2 ARG 78 1HD ARG 78 4.693 -5.329 7.010 573 HD3 ARG 78 2HD ARG 78 4.228 -4.566 8.529 574 HE ARG 78 HE ARG 78 6.878 -5.094 7.620 575 HH11 ARG 78 1HH1 ARG 78 4.892 -4.855 10.469 576 HH12 ARG 78 2HH1 ARG 78 6.211 -4.436 11.512 577 HH21 ARG 78 1HH2 ARG 78 8.622 -4.543 8.982 578 HH22 ARG 78 2HH2 ARG 78 8.333 -4.258 10.665 579 H GLU 79 H GLU 79 -0.119 -6.097 7.894 580 HA GLU 79 HA GLU 79 -1.298 -8.797 7.911 581 HB2 GLU 79 1HB GLU 79 -1.397 -7.782 10.108 582 HB3 GLU 79 2HB GLU 79 -2.112 -6.322 9.440 583 HG2 GLU 79 1HG GLU 79 -3.904 -7.452 10.389 584 HG3 GLU 79 2HG GLU 79 -4.026 -7.822 8.670 585 H VAL 80 H VAL 80 -3.393 -9.070 7.026 586 HA VAL 80 HA VAL 80 -3.997 -7.131 4.907 587 HB VAL 80 HB VAL 80 -5.298 -8.911 3.853 588 HG11 VAL 80 1HG1 VAL 80 -2.766 -8.670 3.594 589 HG12 VAL 80 2HG1 VAL 80 -2.651 -10.102 4.620 590 HG13 VAL 80 3HG1 VAL 80 -3.497 -10.189 3.074 591 HG21 VAL 80 1HG2 VAL 80 -5.495 -11.098 4.748 592 HG22 VAL 80 2HG2 VAL 80 -4.355 -10.746 6.046 593 HG23 VAL 80 3HG2 VAL 80 -5.947 -9.988 6.041 594 H GLY 81 H GLY 81 -5.994 -6.192 4.677 595 HA2 GLY 81 1HA GLY 81 -8.438 -6.690 5.512 596 HA3 GLY 81 2HA GLY 81 -7.698 -6.291 7.055 597 H GLU 82 H GLU 82 -8.739 -4.415 7.512 598 HA GLU 82 HA GLU 82 -8.685 -2.282 5.497 599 HB2 GLU 82 1HB GLU 82 -10.874 -2.832 6.494 600 HB3 GLU 82 2HB GLU 82 -10.235 -2.451 8.088 601 HG2 GLU 82 1HG GLU 82 -9.994 -0.153 7.530 602 HG3 GLU 82 2HG GLU 82 -10.347 -0.467 5.832 603 H HIS 83 H HIS 83 -6.842 -1.159 5.617 604 HA HIS 83 HA HIS 83 -5.703 -0.540 8.244 605 HB2 HIS 83 1HB HIS 83 -4.621 -0.565 5.450 606 HB3 HIS 83 2HB HIS 83 -3.827 0.415 6.679 607 HD1 HIS 83 1HD HIS 83 -5.181 -3.147 6.765 608 HD2 HIS 83 2HD HIS 83 -1.710 -1.006 7.553 609 HE1 HIS 83 1HE HIS 83 -3.536 -4.834 7.643 610 HE2 HIS 83 2HE HIS 83 -1.471 -3.501 8.193 611 H LEU 84 H LEU 84 -5.463 1.517 9.006 612 HA LEU 84 HA LEU 84 -6.734 3.650 7.418 613 HB2 LEU 84 1HB LEU 84 -6.788 3.034 10.343 614 HB3 LEU 84 2HB LEU 84 -7.030 4.688 9.784 615 HG LEU 84 HG LEU 84 -8.724 2.402 8.809 616 HD11 LEU 84 1HD1 LEU 84 -10.013 4.103 10.747 617 HD12 LEU 84 2HD1 LEU 84 -8.616 3.288 11.447 618 HD13 LEU 84 3HD1 LEU 84 -9.899 2.343 10.692 619 HD21 LEU 84 1HD2 LEU 84 -10.289 4.537 8.695 620 HD22 LEU 84 2HD2 LEU 84 -9.173 4.128 7.394 621 HD23 LEU 84 3HD2 LEU 84 -8.735 5.361 8.577 622 H VAL 85 H VAL 85 -5.298 5.044 6.657 623 HA VAL 85 HA VAL 85 -2.747 5.411 8.022 624 HB VAL 85 HB VAL 85 -3.618 6.657 5.416 625 HG11 VAL 85 1HG1 VAL 85 -1.440 7.186 6.984 626 HG12 VAL 85 2HG1 VAL 85 -0.805 5.994 5.849 627 HG13 VAL 85 3HG1 VAL 85 -1.542 7.480 5.249 628 HG21 VAL 85 1HG2 VAL 85 -2.601 3.925 6.026 629 HG22 VAL 85 2HG2 VAL 85 -3.789 4.446 4.830 630 HG23 VAL 85 3HG2 VAL 85 -2.070 4.716 4.541 631 H SER 86 H SER 86 -2.510 6.979 9.460 632 HA SER 86 HA SER 86 -4.421 9.132 9.650 633 HB2 SER 86 1HB SER 86 -1.888 8.807 11.263 634 HB3 SER 86 2HB SER 86 -3.342 9.701 11.703 635 HG SER 86 HG SER 86 -4.342 7.873 12.201 636 H ILE 87 H ILE 87 -4.249 10.718 8.193 637 HA ILE 87 HA ILE 87 -1.577 11.863 7.703 638 HB ILE 87 HB ILE 87 -3.935 12.048 5.831 639 HG12 ILE 87 1HG1 ILE 87 -3.237 9.703 6.060 640 HG13 ILE 87 2HG1 ILE 87 -2.819 10.336 4.472 641 HG21 ILE 87 1HG2 ILE 87 -1.011 12.512 5.282 642 HG22 ILE 87 2HG2 ILE 87 -2.383 12.890 4.240 643 HG23 ILE 87 3HG2 ILE 87 -2.133 13.796 5.733 644 HD11 ILE 87 1HD1 ILE 87 -0.620 10.770 6.210 645 HD12 ILE 87 2HD1 ILE 87 -1.141 9.092 6.365 646 HD13 ILE 87 3HD1 ILE 87 -0.719 9.742 4.782 647 H LYS 88 H LYS 88 -1.361 13.671 8.842 648 HA LYS 88 HA LYS 88 -3.575 15.609 8.809 649 HB2 LYS 88 1HB LYS 88 -1.746 15.500 11.165 650 HB3 LYS 88 2HB LYS 88 -3.415 16.048 11.069 651 HG2 LYS 88 1HG LYS 88 -4.260 13.877 11.157 652 HG3 LYS 88 2HG LYS 88 -2.706 13.157 10.727 653 HD2 LYS 88 1HD LYS 88 -1.808 14.004 12.904 654 HD3 LYS 88 2HD LYS 88 -3.452 14.489 13.329 655 HE2 LYS 88 1HE LYS 88 -4.010 12.001 12.724 656 HE3 LYS 88 2HE LYS 88 -2.290 11.757 13.025 657 HZ1 LYS 88 1HZ LYS 88 -4.374 12.670 14.908 658 HZ2 LYS 88 2HZ LYS 88 -2.736 12.961 15.209 659 HZ3 LYS 88 3HZ LYS 88 -3.300 11.372 15.068 660 H LYS 89 H LYS 89 -2.749 17.849 9.491 661 HA LYS 89 HA LYS 89 -0.083 18.307 8.319 662 HB2 LYS 89 1HB LYS 89 -1.997 18.992 6.836 663 HB3 LYS 89 2HB LYS 89 -2.454 20.163 8.066 664 HG2 LYS 89 1HG LYS 89 -0.254 21.242 7.820 665 HG3 LYS 89 2HG LYS 89 0.138 20.099 6.535 666 HD2 LYS 89 1HD LYS 89 -2.381 21.677 6.325 667 HD3 LYS 89 2HD LYS 89 -0.847 22.485 5.994 668 HE2 LYS 89 1HE LYS 89 -0.415 20.376 4.497 669 HE3 LYS 89 2HE LYS 89 -2.173 20.244 4.534 670 HZ1 LYS 89 1HZ LYS 89 -0.773 22.738 3.762 671 HZ2 LYS 89 2HZ LYS 89 -2.403 22.349 3.534 672 HZ3 LYS 89 3HZ LYS 89 -1.210 21.551 2.638 673 H ASN 90 H ASN 90 1.186 18.800 9.998 674 HA ASN 90 HA ASN 90 2.037 19.884 11.807 675 HB2 ASN 90 1HB ASN 90 0.110 21.892 10.705 676 HB3 ASN 90 2HB ASN 90 0.870 22.204 12.262 677 HD21 ASN 90 1HD2 ASN 90 1.155 22.542 8.972 678 HD22 ASN 90 2HD2 ASN 90 2.840 22.911 8.881 679 H GLY 91 H GLY 91 -0.264 18.030 12.067 680 HA2 GLY 91 1HA GLY 91 -1.085 17.164 14.114 681 HA3 GLY 91 2HA GLY 91 -0.962 18.771 14.814 682 H ASN 92 H ASN 92 -2.374 18.662 11.710 683 HA ASN 92 HA ASN 92 -5.078 18.673 12.870 684 HB2 ASN 92 1HB ASN 92 -3.767 20.724 11.129 685 HB3 ASN 92 2HB ASN 92 -5.497 20.444 10.961 686 HD21 ASN 92 1HD2 ASN 92 -2.964 21.352 13.211 687 HD22 ASN 92 2HD2 ASN 92 -3.984 22.222 14.300 688 H HIS 93 H HIS 93 -5.780 16.744 12.115 689 HA HIS 93 HA HIS 93 -5.203 15.277 9.968 690 HB2 HIS 93 1HB HIS 93 -7.806 15.817 11.317 691 HB3 HIS 93 2HB HIS 93 -7.831 14.892 9.817 692 HD1 HIS 93 1HD HIS 93 -6.922 12.504 9.886 693 HD2 HIS 93 2HD HIS 93 -6.553 14.526 13.497 694 HE1 HIS 93 1HE HIS 93 -6.292 10.752 11.576 695 HE2 HIS 93 2HE HIS 93 -6.158 11.983 13.769 696 H VAL 94 H VAL 94 -5.455 15.265 7.790 697 HA VAL 94 HA VAL 94 -6.453 17.742 6.577 698 HB VAL 94 HB VAL 94 -5.207 17.131 4.594 699 HG11 VAL 94 1HG1 VAL 94 -3.301 17.919 5.447 700 HG12 VAL 94 2HG1 VAL 94 -4.103 17.839 7.017 701 HG13 VAL 94 3HG1 VAL 94 -3.082 16.506 6.478 702 HG21 VAL 94 1HG2 VAL 94 -5.610 14.590 5.152 703 HG22 VAL 94 2HG2 VAL 94 -4.221 15.102 4.192 704 HG23 VAL 94 3HG2 VAL 94 -4.022 14.736 5.906 705 H ALA 95 H ALA 95 -7.240 17.234 4.178 706 HA ALA 95 HA ALA 95 -9.727 15.919 4.445 707 HB1 ALA 95 1HB ALA 95 -8.964 17.817 2.824 708 HB2 ALA 95 2HB ALA 95 -8.539 16.472 1.765 709 HB3 ALA 95 3HB ALA 95 -10.201 16.665 2.320 710 H ASN 96 H ASN 96 -10.485 13.996 3.555 711 HA ASN 96 HA ASN 96 -10.418 11.807 2.942 712 HB2 ASN 96 1HB ASN 96 -7.894 12.658 1.503 713 HB3 ASN 96 2HB ASN 96 -8.734 11.130 1.257 714 HD21 ASN 96 1HD2 ASN 96 -8.484 14.355 0.333 715 HD22 ASN 96 2HD2 ASN 96 -9.887 14.438 -0.671 716 H SER 97 H SER 97 -9.098 12.741 5.398 717 HA SER 97 HA SER 97 -7.334 10.421 5.807 718 HB2 SER 97 1HB SER 97 -5.986 12.498 5.681 719 HB3 SER 97 2HB SER 97 -6.928 13.171 7.012 720 HG SER 97 HG SER 97 -5.805 12.022 8.368 721 HA PRO 98 HA PRO 98 -6.285 9.472 7.495 722 HB2 PRO 98 1HB PRO 98 -6.921 6.975 8.350 723 HB3 PRO 98 2HB PRO 98 -6.350 8.247 9.437 724 HG2 PRO 98 1HG PRO 98 -9.147 7.319 8.911 725 HG3 PRO 98 2HG PRO 98 -8.373 7.720 10.455 726 HD2 PRO 98 1HD PRO 98 -10.027 9.433 9.165 727 HD3 PRO 98 2HD PRO 98 -8.660 9.988 10.153 728 H VAL 99 H VAL 99 -5.681 8.008 5.863 729 HA VAL 99 HA VAL 99 -7.633 7.681 3.777 730 HB VAL 99 HB VAL 99 -4.825 6.580 3.814 731 HG11 VAL 99 1HG1 VAL 99 -5.131 6.055 1.661 732 HG12 VAL 99 2HG1 VAL 99 -6.855 6.233 1.998 733 HG13 VAL 99 3HG1 VAL 99 -5.945 7.581 1.314 734 HG21 VAL 99 1HG2 VAL 99 -4.562 8.879 4.304 735 HG22 VAL 99 2HG2 VAL 99 -4.263 8.713 2.574 736 HG23 VAL 99 3HG2 VAL 99 -5.808 9.345 3.146 737 H SER 100 H SER 100 -8.836 5.949 3.360 738 HA SER 100 HA SER 100 -8.466 3.559 4.985 739 HB2 SER 100 1HB SER 100 -10.689 2.978 4.422 740 HB3 SER 100 2HB SER 100 -10.722 4.730 4.617 741 HG SER 100 HG SER 100 -11.249 3.232 2.420 742 H ILE 101 H ILE 101 -7.268 1.947 4.248 743 HA ILE 101 HA ILE 101 -7.270 1.402 1.351 744 HB ILE 101 HB ILE 101 -4.947 1.041 3.249 745 HG12 ILE 101 1HG1 ILE 101 -5.215 2.948 0.919 746 HG13 ILE 101 2HG1 ILE 101 -5.495 3.410 2.594 747 HG21 ILE 101 1HG2 ILE 101 -5.392 0.292 0.390 748 HG22 ILE 101 2HG2 ILE 101 -3.771 0.679 0.964 749 HG23 ILE 101 3HG2 ILE 101 -4.673 -0.649 1.695 750 HD11 ILE 101 1HD1 ILE 101 -2.980 2.137 2.486 751 HD12 ILE 101 2HD1 ILE 101 -3.050 3.298 1.159 752 HD13 ILE 101 3HD1 ILE 101 -3.342 3.832 2.814 753 H MET 102 H MET 102 -7.136 -0.781 0.712 754 HA MET 102 HA MET 102 -7.880 -2.690 2.827 755 HB2 MET 102 1HB MET 102 -9.635 -2.206 1.117 756 HB3 MET 102 2HB MET 102 -8.555 -2.849 -0.114 757 HG2 MET 102 1HG MET 102 -9.794 -4.700 0.284 758 HG3 MET 102 2HG MET 102 -8.538 -4.938 1.498 759 HE1 MET 102 1HE MET 102 -10.269 -6.635 3.028 760 HE2 MET 102 2HE MET 102 -8.956 -5.614 3.619 761 HE3 MET 102 3HE MET 102 -10.499 -5.649 4.473 762 H VAL 103 H VAL 103 -6.333 -4.090 3.309 763 HA VAL 103 HA VAL 103 -4.317 -4.749 1.278 764 HB VAL 103 HB VAL 103 -4.227 -5.204 4.263 765 HG11 VAL 103 1HG1 VAL 103 -1.998 -5.434 2.249 766 HG12 VAL 103 2HG1 VAL 103 -1.943 -5.839 3.966 767 HG13 VAL 103 3HG1 VAL 103 -2.919 -6.807 2.860 768 HG21 VAL 103 1HG2 VAL 103 -2.391 -3.305 2.943 769 HG22 VAL 103 2HG2 VAL 103 -4.073 -2.798 3.084 770 HG23 VAL 103 3HG2 VAL 103 -3.158 -3.227 4.529 771 H VAL 104 H VAL 104 -4.152 -6.740 0.448 772 HA VAL 104 HA VAL 104 -5.528 -8.960 1.793 773 HB VAL 104 HB VAL 104 -6.440 -9.780 -0.293 774 HG11 VAL 104 1HG1 VAL 104 -8.162 -8.559 0.458 775 HG12 VAL 104 2HG1 VAL 104 -7.145 -7.155 0.790 776 HG13 VAL 104 3HG1 VAL 104 -7.743 -7.447 -0.844 777 HG21 VAL 104 1HG2 VAL 104 -4.518 -8.083 -1.459 778 HG22 VAL 104 2HG2 VAL 104 -5.633 -9.179 -2.274 779 HG23 VAL 104 3HG2 VAL 104 -6.098 -7.502 -1.988 780 H GLN 105 H GLN 105 -4.692 -11.036 1.343 781 HA GLN 105 HA GLN 105 -1.876 -11.082 0.899 782 HB2 GLN 105 1HB GLN 105 -3.915 -13.278 1.255 783 HB3 GLN 105 2HB GLN 105 -2.194 -13.586 1.063 784 HG2 GLN 105 1HG GLN 105 -1.956 -11.937 3.061 785 HG3 GLN 105 2HG GLN 105 -3.652 -12.330 3.340 786 HE21 GLN 105 1HE2 GLN 105 -0.592 -13.127 4.162 787 HE22 GLN 105 2HE2 GLN 105 -0.835 -14.759 4.671 788 H SER 106 H SER 106 -1.013 -10.859 -1.054 789 HA SER 106 HA SER 106 -2.375 -11.325 -3.477 790 HB2 SER 106 1HB SER 106 -0.217 -10.940 -4.557 791 HB3 SER 106 2HB SER 106 -0.460 -9.772 -3.259 792 HG SER 106 HG SER 106 1.082 -12.151 -3.100 793 H GLU 107 H GLU 107 -2.152 -12.956 -5.022 794 HA GLU 107 HA GLU 107 -0.929 -15.455 -4.052 795 HB2 GLU 107 1HB GLU 107 -3.396 -15.539 -3.910 796 HB3 GLU 107 2HB GLU 107 -3.495 -15.198 -5.631 797 HG2 GLU 107 1HG GLU 107 -2.685 -17.283 -6.226 798 HG3 GLU 107 2HG GLU 107 -1.956 -17.560 -4.645 799 H ILE 108 H ILE 108 0.696 -16.050 -5.310 800 HA ILE 108 HA ILE 108 0.634 -15.292 -8.155 801 HB ILE 108 HB ILE 108 3.025 -15.951 -6.430 802 HG12 ILE 108 1HG1 ILE 108 2.015 -13.777 -5.884 803 HG13 ILE 108 2HG1 ILE 108 3.581 -13.574 -6.661 804 HG21 ILE 108 1HG2 ILE 108 4.176 -16.235 -8.304 805 HG22 ILE 108 2HG2 ILE 108 2.698 -16.023 -9.241 806 HG23 ILE 108 3HG2 ILE 108 3.705 -14.627 -8.852 807 HD11 ILE 108 1HD1 ILE 108 1.557 -13.577 -8.661 808 HD12 ILE 108 2HD1 ILE 108 1.114 -12.439 -7.388 809 HD13 ILE 108 3HD1 ILE 108 2.670 -12.288 -8.204 810 H GLY 109 H GLY 109 1.941 -17.869 -6.051 811 HA2 GLY 109 1HA GLY 109 1.591 -19.751 -8.289 812 HA3 GLY 109 2HA GLY 109 2.667 -19.988 -6.920 813 H ASP 110 H ASP 110 1.978 -21.200 -5.271 814 HA ASP 110 HA ASP 110 0.654 -22.563 -4.019 815 HB2 ASP 110 1HB ASP 110 -1.385 -20.449 -4.734 816 HB3 ASP 110 2HB ASP 110 -1.680 -21.740 -3.572 817 H SER 111 H SER 111 1.021 -23.260 -6.742 818 HA SER 111 HA SER 111 -1.511 -24.143 -7.802 819 HB2 SER 111 1HB SER 111 -0.289 -24.926 -9.675 820 HB3 SER 111 2HB SER 111 0.537 -23.451 -9.175 821 HG SER 111 HG SER 111 1.835 -25.093 -7.852 822 H GLY 112 H GLY 112 0.532 -25.262 -5.419 823 HA2 GLY 112 1HA GLY 112 0.455 -27.195 -4.167 824 HA3 GLY 112 2HA GLY 112 -0.893 -27.724 -5.163 825 HA PRO 113 HA PRO 113 2.619 -30.552 -6.087 826 HB2 PRO 113 1HB PRO 113 1.067 -32.774 -6.249 827 HB3 PRO 113 2HB PRO 113 1.710 -32.161 -4.722 828 HG2 PRO 113 1HG PRO 113 -1.016 -31.812 -5.906 829 HG3 PRO 113 2HG PRO 113 -0.562 -32.173 -4.230 830 HD2 PRO 113 1HD PRO 113 -1.250 -29.686 -5.050 831 HD3 PRO 113 2HD PRO 113 -0.066 -29.972 -3.758 832 H SER 114 H SER 114 -0.431 -29.859 -7.601 833 HA SER 114 HA SER 114 0.019 -31.330 -10.001 834 HB2 SER 114 1HB SER 114 -1.934 -30.248 -10.845 835 HB3 SER 114 2HB SER 114 -2.228 -30.531 -9.130 836 HG SER 114 HG SER 114 -1.188 -28.233 -9.077 837 H SER 115 H SER 115 1.089 -30.787 -11.804 838 HA SER 115 HA SER 115 2.340 -28.125 -11.886 839 HB2 SER 115 1HB SER 115 4.047 -29.770 -11.828 840 HB3 SER 115 2HB SER 115 3.207 -30.796 -12.990 841 HG SER 115 HG SER 115 4.906 -28.705 -13.418 842 H GLY 116 H GLY 116 2.041 -26.800 -13.599 843 HA2 GLY 116 1HA GLY 116 1.624 -26.988 -16.151 844 HA3 GLY 116 2HA GLY 116 0.108 -27.699 -15.621 Start of MODEL 18 1 H1 GLY 1 H GLY 1 30.119 27.307 -17.785 2 HA2 GLY 1 1HA GLY 1 29.805 28.174 -15.265 3 HA3 GLY 1 2HA GLY 1 29.970 29.691 -16.135 4 H SER 2 H SER 2 27.698 28.269 -14.677 5 HA SER 2 HA SER 2 25.701 28.712 -16.788 6 HB2 SER 2 1HB SER 2 25.785 26.413 -14.825 7 HB3 SER 2 2HB SER 2 24.351 26.842 -15.759 8 HG SER 2 HG SER 2 25.694 25.194 -16.727 9 H SER 3 H SER 3 23.711 29.545 -16.099 10 HA SER 3 HA SER 3 23.177 30.049 -13.325 11 HB2 SER 3 1HB SER 3 23.226 32.507 -13.469 12 HB3 SER 3 2HB SER 3 24.825 31.821 -13.750 13 HG SER 3 HG SER 3 23.301 33.339 -15.388 14 H GLY 4 H GLY 4 21.091 30.995 -12.971 15 HA2 GLY 4 1HA GLY 4 19.378 31.752 -15.109 16 HA3 GLY 4 2HA GLY 4 19.087 30.079 -14.654 17 H SER 5 H SER 5 16.955 31.483 -14.346 18 HA SER 5 HA SER 5 16.890 32.478 -11.580 19 HB2 SER 5 1HB SER 5 14.793 33.593 -12.198 20 HB3 SER 5 2HB SER 5 16.093 34.056 -13.296 21 HG SER 5 HG SER 5 14.031 32.166 -13.775 22 H SER 6 H SER 6 14.718 32.073 -10.470 23 HA SER 6 HA SER 6 13.833 29.314 -11.005 24 HB2 SER 6 1HB SER 6 14.458 30.639 -8.366 25 HB3 SER 6 2HB SER 6 13.485 29.173 -8.479 26 HG SER 6 HG SER 6 15.852 28.944 -8.155 27 H GLY 7 H GLY 7 11.728 28.906 -9.602 28 HA2 GLY 7 1HA GLY 7 9.837 30.484 -8.743 29 HA3 GLY 7 2HA GLY 7 9.868 31.026 -10.415 30 H ILE 8 H ILE 8 9.022 28.438 -8.246 31 HA ILE 8 HA ILE 8 8.395 26.334 -9.823 32 HB ILE 8 HB ILE 8 6.709 25.685 -8.287 33 HG12 ILE 8 1HG1 ILE 8 5.291 27.641 -8.327 34 HG13 ILE 8 2HG1 ILE 8 5.726 27.301 -6.656 35 HG21 ILE 8 1HG2 ILE 8 8.107 27.189 -6.249 36 HG22 ILE 8 2HG2 ILE 8 8.132 25.460 -6.592 37 HG23 ILE 8 3HG2 ILE 8 9.212 26.547 -7.464 38 HD11 ILE 8 1HD1 ILE 8 7.551 29.031 -6.932 39 HD12 ILE 8 2HD1 ILE 8 6.749 29.484 -8.436 40 HD13 ILE 8 3HD1 ILE 8 5.891 29.624 -6.902 41 HA PRO 9 HA PRO 9 5.442 27.579 -12.835 42 HB2 PRO 9 1HB PRO 9 4.221 25.198 -13.292 43 HB3 PRO 9 2HB PRO 9 5.854 25.566 -13.863 44 HG2 PRO 9 1HG PRO 9 4.993 24.013 -11.452 45 HG3 PRO 9 2HG PRO 9 6.280 23.649 -12.616 46 HD2 PRO 9 1HD PRO 9 6.777 24.747 -10.191 47 HD3 PRO 9 2HD PRO 9 7.764 25.107 -11.622 48 H GLY 10 H GLY 10 2.941 26.697 -13.307 49 HA2 GLY 10 1HA GLY 10 1.419 26.748 -10.820 50 HA3 GLY 10 2HA GLY 10 1.211 28.126 -11.890 51 H SER 11 H SER 11 1.269 24.567 -12.127 52 HA SER 11 HA SER 11 -0.052 24.068 -14.391 53 HB2 SER 11 1HB SER 11 -0.441 22.785 -11.692 54 HB3 SER 11 2HB SER 11 -1.266 22.180 -13.129 55 HG SER 11 HG SER 11 0.760 21.138 -12.708 56 HA PRO 12 HA PRO 12 -3.938 26.140 -14.344 57 HB2 PRO 12 1HB PRO 12 -5.206 24.682 -16.251 58 HB3 PRO 12 2HB PRO 12 -3.941 25.858 -16.624 59 HG2 PRO 12 1HG PRO 12 -3.748 22.880 -16.387 60 HG3 PRO 12 2HG PRO 12 -3.025 23.955 -17.598 61 HD2 PRO 12 1HD PRO 12 -1.621 22.966 -15.504 62 HD3 PRO 12 2HD PRO 12 -1.291 24.562 -16.206 63 H PHE 13 H PHE 13 -4.170 22.582 -14.537 64 HA PHE 13 HA PHE 13 -5.385 21.085 -13.321 65 HB2 PHE 13 1HB PHE 13 -4.747 22.835 -11.441 66 HB3 PHE 13 2HB PHE 13 -6.468 23.198 -11.510 67 HD1 PHE 13 1HD PHE 13 -4.511 20.027 -11.701 68 HD2 PHE 13 2HD PHE 13 -7.552 22.255 -9.724 69 HE1 PHE 13 1HE PHE 13 -4.970 18.100 -10.240 70 HE2 PHE 13 2HE PHE 13 -8.014 20.333 -8.261 71 HZ PHE 13 HZ PHE 13 -6.722 18.252 -8.516 72 H THR 14 H THR 14 -6.458 22.772 -15.523 73 HA THR 14 HA THR 14 -9.284 23.020 -14.893 74 HB THR 14 HB THR 14 -9.493 23.804 -17.255 75 HG1 THR 14 1HG THR 14 -7.654 22.677 -18.086 76 HG21 THR 14 1HG2 THR 14 -9.057 25.876 -16.532 77 HG22 THR 14 2HG2 THR 14 -7.335 25.535 -16.362 78 HG23 THR 14 3HG2 THR 14 -8.448 25.126 -15.057 79 H ALA 15 H ALA 15 -7.175 20.662 -16.113 80 HA ALA 15 HA ALA 15 -9.446 19.150 -17.232 81 HB1 ALA 15 1HB ALA 15 -7.114 17.996 -18.233 82 HB2 ALA 15 2HB ALA 15 -8.271 18.996 -19.111 83 HB3 ALA 15 3HB ALA 15 -6.858 19.736 -18.358 84 H LYS 16 H LYS 16 -9.859 17.184 -16.405 85 HA LYS 16 HA LYS 16 -7.853 15.680 -14.979 86 HB2 LYS 16 1HB LYS 16 -8.601 17.226 -13.233 87 HB3 LYS 16 2HB LYS 16 -10.270 16.750 -13.512 88 HG2 LYS 16 1HG LYS 16 -8.313 14.626 -12.829 89 HG3 LYS 16 2HG LYS 16 -8.834 15.726 -11.552 90 HD2 LYS 16 1HD LYS 16 -10.796 14.309 -13.333 91 HD3 LYS 16 2HD LYS 16 -10.167 13.569 -11.859 92 HE2 LYS 16 1HE LYS 16 -11.081 15.308 -10.509 93 HE3 LYS 16 2HE LYS 16 -11.494 16.272 -11.926 94 HZ1 LYS 16 1HZ LYS 16 -12.988 14.358 -12.563 95 HZ2 LYS 16 2HZ LYS 16 -13.481 15.277 -11.232 96 HZ3 LYS 16 3HZ LYS 16 -12.760 13.765 -10.995 97 H ILE 17 H ILE 17 -8.459 13.517 -14.597 98 HA ILE 17 HA ILE 17 -11.104 12.653 -15.448 99 HB ILE 17 HB ILE 17 -8.595 11.654 -16.800 100 HG12 ILE 17 1HG1 ILE 17 -10.989 13.051 -18.005 101 HG13 ILE 17 2HG1 ILE 17 -9.499 13.877 -17.562 102 HG21 ILE 17 1HG2 ILE 17 -11.092 10.769 -17.945 103 HG22 ILE 17 2HG2 ILE 17 -9.696 9.826 -17.426 104 HG23 ILE 17 3HG2 ILE 17 -10.946 10.265 -16.262 105 HD11 ILE 17 1HD1 ILE 17 -8.729 11.709 -19.152 106 HD12 ILE 17 2HD1 ILE 17 -10.132 12.427 -19.943 107 HD13 ILE 17 3HD1 ILE 17 -8.722 13.421 -19.578 108 H THR 18 H THR 18 -11.775 11.316 -13.918 109 HA THR 18 HA THR 18 -9.852 9.405 -12.766 110 HB THR 18 HB THR 18 -11.095 9.598 -10.601 111 HG1 THR 18 1HG THR 18 -12.452 11.526 -12.111 112 HG21 THR 18 1HG2 THR 18 -9.365 11.662 -11.795 113 HG22 THR 18 2HG2 THR 18 -9.171 10.744 -10.301 114 HG23 THR 18 3HG2 THR 18 -10.230 12.154 -10.339 115 H ASP 19 H ASP 19 -10.665 7.374 -12.207 116 HA ASP 19 HA ASP 19 -13.249 6.730 -13.449 117 HB2 ASP 19 1HB ASP 19 -12.431 4.634 -13.990 118 HB3 ASP 19 2HB ASP 19 -10.968 5.610 -14.109 119 H ASP 20 H ASP 20 -14.592 5.103 -12.408 120 HA ASP 20 HA ASP 20 -15.037 5.678 -9.681 121 HB2 ASP 20 1HB ASP 20 -16.111 3.225 -11.054 122 HB3 ASP 20 2HB ASP 20 -16.873 4.216 -9.812 123 H SER 21 H SER 21 -14.091 4.891 -7.926 124 HA SER 21 HA SER 21 -12.184 2.739 -8.142 125 HB2 SER 21 1HB SER 21 -12.999 4.647 -5.975 126 HB3 SER 21 2HB SER 21 -12.058 3.211 -5.567 127 HG SER 21 HG SER 21 -10.375 3.975 -6.669 128 H ARG 22 H ARG 22 -14.709 1.802 -8.748 129 HA ARG 22 HA ARG 22 -15.835 0.519 -6.414 130 HB2 ARG 22 1HB ARG 22 -17.425 -0.478 -8.008 131 HB3 ARG 22 2HB ARG 22 -17.329 1.270 -8.182 132 HG2 ARG 22 1HG ARG 22 -15.765 0.917 -10.095 133 HG3 ARG 22 2HG ARG 22 -16.101 -0.811 -9.972 134 HD2 ARG 22 1HD ARG 22 -17.479 0.283 -11.686 135 HD3 ARG 22 2HD ARG 22 -18.454 -0.413 -10.392 136 HE ARG 22 HE ARG 22 -18.125 2.399 -11.015 137 HH11 ARG 22 1HH1 ARG 22 -19.214 0.012 -8.728 138 HH12 ARG 22 2HH1 ARG 22 -20.271 1.103 -7.895 139 HH21 ARG 22 1HH2 ARG 22 -19.512 3.845 -9.927 140 HH22 ARG 22 2HH2 ARG 22 -20.440 3.283 -8.578 141 H ARG 23 H ARG 23 -13.140 -0.157 -6.821 142 HA ARG 23 HA ARG 23 -13.382 -3.036 -6.977 143 HB2 ARG 23 1HB ARG 23 -12.915 -2.173 -9.334 144 HB3 ARG 23 2HB ARG 23 -11.334 -1.695 -8.734 145 HG2 ARG 23 1HG ARG 23 -10.927 -4.055 -8.080 146 HG3 ARG 23 2HG ARG 23 -12.459 -4.484 -8.846 147 HD2 ARG 23 1HD ARG 23 -11.519 -3.370 -10.943 148 HD3 ARG 23 2HD ARG 23 -9.958 -3.418 -10.124 149 HE ARG 23 HE ARG 23 -11.192 -5.971 -10.106 150 HH11 ARG 23 1HH1 ARG 23 -9.486 -3.743 -12.166 151 HH12 ARG 23 2HH1 ARG 23 -8.851 -4.981 -13.199 152 HH21 ARG 23 1HH2 ARG 23 -10.361 -7.610 -11.458 153 HH22 ARG 23 2HH2 ARG 23 -9.350 -7.180 -12.796 154 H CYS 24 H CYS 24 -12.341 -3.773 -5.258 155 HA CYS 24 HA CYS 24 -10.774 -2.330 -3.529 156 HB2 CYS 24 1HB CYS 24 -10.025 -4.465 -2.603 157 HB3 CYS 24 2HB CYS 24 -11.740 -4.528 -2.992 158 HG CYS 24 HG CYS 24 -11.333 -5.953 -5.394 159 H SER 25 H SER 25 -8.429 -2.797 -2.972 160 HA SER 25 HA SER 25 -6.831 -2.764 -5.449 161 HB2 SER 25 1HB SER 25 -6.353 -1.314 -2.835 162 HB3 SER 25 2HB SER 25 -5.209 -1.350 -4.177 163 HG SER 25 HG SER 25 -6.438 -0.010 -5.280 164 H GLN 26 H GLN 26 -5.690 -4.558 -5.694 165 HA GLN 26 HA GLN 26 -5.079 -6.275 -3.462 166 HB2 GLN 26 1HB GLN 26 -5.729 -7.126 -5.723 167 HB3 GLN 26 2HB GLN 26 -4.190 -6.537 -6.337 168 HG2 GLN 26 1HG GLN 26 -2.967 -8.119 -5.159 169 HG3 GLN 26 2HG GLN 26 -4.286 -8.441 -4.034 170 HE21 GLN 26 1HE2 GLN 26 -6.340 -9.227 -5.231 171 HE22 GLN 26 2HE2 GLN 26 -6.078 -10.491 -6.379 172 H VAL 27 H VAL 27 -3.348 -6.079 -2.219 173 HA VAL 27 HA VAL 27 -0.937 -4.813 -3.349 174 HB VAL 27 HB VAL 27 -1.710 -4.815 -0.433 175 HG11 VAL 27 1HG1 VAL 27 0.374 -3.317 -2.013 176 HG12 VAL 27 2HG1 VAL 27 -0.033 -2.982 -0.329 177 HG13 VAL 27 3HG1 VAL 27 0.651 -4.546 -0.778 178 HG21 VAL 27 1HG2 VAL 27 -3.333 -3.575 -1.900 179 HG22 VAL 27 2HG2 VAL 27 -2.531 -2.594 -0.673 180 HG23 VAL 27 3HG2 VAL 27 -2.000 -2.512 -2.354 181 H LYS 28 H LYS 28 1.112 -5.547 -2.489 182 HA LYS 28 HA LYS 28 1.078 -8.422 -1.993 183 HB2 LYS 28 1HB LYS 28 3.411 -6.588 -2.570 184 HB3 LYS 28 2HB LYS 28 3.465 -8.345 -2.511 185 HG2 LYS 28 1HG LYS 28 1.778 -6.793 -4.458 186 HG3 LYS 28 2HG LYS 28 3.411 -7.366 -4.806 187 HD2 LYS 28 1HD LYS 28 2.427 -9.671 -4.025 188 HD3 LYS 28 2HD LYS 28 0.886 -8.915 -4.437 189 HE2 LYS 28 1HE LYS 28 3.258 -9.177 -6.282 190 HE3 LYS 28 2HE LYS 28 1.827 -10.204 -6.309 191 HZ1 LYS 28 1HZ LYS 28 0.816 -7.686 -6.442 192 HZ2 LYS 28 2HZ LYS 28 1.021 -8.736 -7.752 193 HZ3 LYS 28 3HZ LYS 28 2.207 -7.583 -7.399 194 H LEU 29 H LEU 29 0.667 -8.756 0.138 195 HA LEU 29 HA LEU 29 1.497 -7.208 2.288 196 HB2 LEU 29 1HB LEU 29 -0.159 -9.168 2.198 197 HB3 LEU 29 2HB LEU 29 1.251 -10.194 2.447 198 HG LEU 29 HG LEU 29 1.681 -8.875 4.561 199 HD11 LEU 29 1HD1 LEU 29 0.197 -6.968 3.854 200 HD12 LEU 29 2HD1 LEU 29 -0.047 -7.557 5.499 201 HD13 LEU 29 3HD1 LEU 29 -1.179 -8.008 4.224 202 HD21 LEU 29 1HD2 LEU 29 -0.736 -10.613 4.181 203 HD22 LEU 29 2HD2 LEU 29 -0.249 -10.029 5.772 204 HD23 LEU 29 3HD2 LEU 29 0.845 -11.045 4.832 205 H GLY 30 H GLY 30 3.280 -7.151 3.588 206 HA2 GLY 30 1HA GLY 30 5.437 -7.526 4.295 207 HA3 GLY 30 2HA GLY 30 5.348 -9.104 3.525 208 H SER 31 H SER 31 4.757 -6.195 1.710 209 HA SER 31 HA SER 31 7.469 -6.042 0.712 210 HB2 SER 31 1HB SER 31 5.212 -6.772 -1.170 211 HB3 SER 31 2HB SER 31 6.895 -6.487 -1.614 212 HG SER 31 HG SER 31 6.995 -8.584 -1.351 213 H ALA 32 H ALA 32 7.898 -3.953 0.542 214 HA ALA 32 HA ALA 32 6.267 -1.838 0.921 215 HB1 ALA 32 1HB ALA 32 8.401 -1.607 -1.164 216 HB2 ALA 32 2HB ALA 32 7.936 -0.458 0.091 217 HB3 ALA 32 3HB ALA 32 8.818 -1.923 0.520 218 H ALA 33 H ALA 33 4.661 -0.827 -0.108 219 HA ALA 33 HA ALA 33 4.368 -1.153 -3.002 220 HB1 ALA 33 1HB ALA 33 2.995 -2.896 -1.855 221 HB2 ALA 33 2HB ALA 33 2.062 -1.595 -1.115 222 HB3 ALA 33 3HB ALA 33 2.069 -1.787 -2.869 223 H ASP 34 H ASP 34 3.619 0.627 -4.028 224 HA ASP 34 HA ASP 34 3.255 3.023 -2.420 225 HB2 ASP 34 1HB ASP 34 3.702 2.497 -5.344 226 HB3 ASP 34 2HB ASP 34 3.136 4.072 -4.796 227 H PHE 35 H PHE 35 1.444 4.364 -2.505 228 HA PHE 35 HA PHE 35 -0.962 3.185 -3.725 229 HB2 PHE 35 1HB PHE 35 -0.755 4.500 -1.009 230 HB3 PHE 35 2HB PHE 35 -2.258 3.991 -1.771 231 HD1 PHE 35 1HD PHE 35 0.839 2.861 -0.172 232 HD2 PHE 35 2HD PHE 35 -2.881 1.677 -1.870 233 HE1 PHE 35 1HE PHE 35 1.107 0.621 0.809 234 HE2 PHE 35 2HE PHE 35 -2.619 -0.565 -0.891 235 HZ PHE 35 HZ PHE 35 -0.623 -1.095 0.452 236 H LEU 36 H LEU 36 -2.520 4.632 -4.495 237 HA LEU 36 HA LEU 36 -1.569 7.404 -4.785 238 HB2 LEU 36 1HB LEU 36 -1.814 5.798 -6.818 239 HB3 LEU 36 2HB LEU 36 -3.536 6.136 -6.646 240 HG LEU 36 HG LEU 36 -2.764 8.630 -6.766 241 HD11 LEU 36 1HD1 LEU 36 -0.540 8.817 -6.932 242 HD12 LEU 36 2HD1 LEU 36 -0.785 8.377 -8.622 243 HD13 LEU 36 3HD1 LEU 36 -0.338 7.142 -7.446 244 HD21 LEU 36 1HD2 LEU 36 -2.513 7.266 -9.388 245 HD22 LEU 36 2HD2 LEU 36 -3.508 8.644 -8.915 246 HD23 LEU 36 3HD2 LEU 36 -3.998 7.008 -8.472 247 H LEU 37 H LEU 37 -2.623 8.543 -3.264 248 HA LEU 37 HA LEU 37 -5.517 8.131 -2.961 249 HB2 LEU 37 1HB LEU 37 -5.370 8.980 -0.801 250 HB3 LEU 37 2HB LEU 37 -3.917 7.998 -0.975 251 HG LEU 37 HG LEU 37 -4.049 11.009 -1.149 252 HD11 LEU 37 1HD1 LEU 37 -3.387 11.128 1.010 253 HD12 LEU 37 2HD1 LEU 37 -2.497 9.608 0.940 254 HD13 LEU 37 3HD1 LEU 37 -4.252 9.594 1.111 255 HD21 LEU 37 1HD2 LEU 37 -1.517 10.706 -1.000 256 HD22 LEU 37 2HD2 LEU 37 -2.287 10.361 -2.550 257 HD23 LEU 37 3HD2 LEU 37 -1.811 9.036 -1.487 258 H ASP 38 H ASP 38 -6.956 9.771 -3.281 259 HA ASP 38 HA ASP 38 -6.013 12.030 -4.823 260 HB2 ASP 38 1HB ASP 38 -8.078 10.731 -5.415 261 HB3 ASP 38 2HB ASP 38 -8.842 11.392 -3.972 262 H ILE 39 H ILE 39 -5.088 13.599 -3.642 263 HA ILE 39 HA ILE 39 -6.706 14.800 -1.504 264 HB ILE 39 HB ILE 39 -4.479 15.338 -0.353 265 HG12 ILE 39 1HG1 ILE 39 -3.545 12.883 -1.836 266 HG13 ILE 39 2HG1 ILE 39 -3.158 14.513 -2.378 267 HG21 ILE 39 1HG2 ILE 39 -5.200 13.829 1.106 268 HG22 ILE 39 2HG2 ILE 39 -6.267 13.184 -0.140 269 HG23 ILE 39 3HG2 ILE 39 -4.652 12.510 0.072 270 HD11 ILE 39 1HD1 ILE 39 -1.333 14.253 -1.121 271 HD12 ILE 39 2HD1 ILE 39 -2.408 14.617 0.229 272 HD13 ILE 39 3HD1 ILE 39 -2.045 12.941 -0.182 273 H SER 40 H SER 40 -6.520 17.032 -1.273 274 HA SER 40 HA SER 40 -5.482 18.392 -3.635 275 HB2 SER 40 1HB SER 40 -7.393 19.156 -1.444 276 HB3 SER 40 2HB SER 40 -6.677 20.393 -2.477 277 HG SER 40 HG SER 40 -7.984 18.118 -3.531 278 H GLU 41 H GLU 41 -3.590 17.370 -1.745 279 HA GLU 41 HA GLU 41 -2.376 19.903 -0.864 280 HB2 GLU 41 1HB GLU 41 -2.086 17.267 0.580 281 HB3 GLU 41 2HB GLU 41 -1.492 18.837 1.103 282 HG2 GLU 41 1HG GLU 41 -3.850 19.608 1.258 283 HG3 GLU 41 2HG GLU 41 -4.361 17.959 0.903 284 H THR 42 H THR 42 -0.537 20.294 -1.883 285 HA THR 42 HA THR 42 0.815 18.172 -3.327 286 HB THR 42 HB THR 42 2.150 19.902 -4.345 287 HG1 THR 42 1HG THR 42 0.868 21.792 -2.648 288 HG21 THR 42 1HG2 THR 42 -0.107 21.559 -4.621 289 HG22 THR 42 2HG2 THR 42 -0.721 19.925 -4.362 290 HG23 THR 42 3HG2 THR 42 0.403 20.247 -5.682 291 H ASP 43 H ASP 43 1.649 20.571 -0.835 292 HA ASP 43 HA ASP 43 4.255 20.084 -0.353 293 HB2 ASP 43 1HB ASP 43 2.445 21.491 0.972 294 HB3 ASP 43 2HB ASP 43 2.480 20.096 2.048 295 H LEU 44 H LEU 44 5.466 18.690 1.026 296 HA LEU 44 HA LEU 44 4.212 16.051 1.409 297 HB2 LEU 44 1HB LEU 44 6.841 16.874 0.325 298 HB3 LEU 44 2HB LEU 44 6.812 15.429 1.334 299 HG LEU 44 HG LEU 44 4.857 15.604 -0.899 300 HD11 LEU 44 1HD1 LEU 44 7.101 16.381 -1.772 301 HD12 LEU 44 2HD1 LEU 44 6.401 14.968 -2.561 302 HD13 LEU 44 3HD1 LEU 44 7.702 14.768 -1.388 303 HD21 LEU 44 1HD2 LEU 44 5.996 13.617 0.868 304 HD22 LEU 44 2HD2 LEU 44 6.131 13.136 -0.824 305 HD23 LEU 44 3HD2 LEU 44 4.553 13.534 -0.143 306 H SER 45 H SER 45 6.853 18.118 2.615 307 HA SER 45 HA SER 45 7.201 16.708 5.039 308 HB2 SER 45 1HB SER 45 8.868 18.283 3.995 309 HB3 SER 45 2HB SER 45 7.856 19.619 4.542 310 HG SER 45 HG SER 45 9.150 19.405 6.225 311 H SER 46 H SER 46 5.293 19.557 4.178 312 HA SER 46 HA SER 46 4.450 20.278 6.744 313 HB2 SER 46 1HB SER 46 3.239 20.651 4.014 314 HB3 SER 46 2HB SER 46 2.418 21.230 5.463 315 HG SER 46 HG SER 46 4.326 22.441 5.930 316 H LEU 47 H LEU 47 3.548 17.628 4.746 317 HA LEU 47 HA LEU 47 1.128 17.096 6.299 318 HB2 LEU 47 1HB LEU 47 2.297 15.680 3.908 319 HB3 LEU 47 2HB LEU 47 0.775 15.260 4.690 320 HG LEU 47 HG LEU 47 1.391 17.802 3.187 321 HD11 LEU 47 1HD1 LEU 47 1.027 15.893 1.739 322 HD12 LEU 47 2HD1 LEU 47 -0.352 16.990 1.661 323 HD13 LEU 47 3HD1 LEU 47 -0.462 15.499 2.595 324 HD21 LEU 47 1HD2 LEU 47 -1.257 17.883 3.571 325 HD22 LEU 47 2HD2 LEU 47 -0.103 18.651 4.661 326 HD23 LEU 47 3HD2 LEU 47 -0.776 17.071 5.061 327 H THR 48 H THR 48 0.772 14.902 7.137 328 HA THR 48 HA THR 48 3.283 13.704 8.114 329 HB THR 48 HB THR 48 0.679 13.454 9.589 330 HG1 THR 48 1HG THR 48 0.797 15.514 10.037 331 HG21 THR 48 1HG2 THR 48 3.556 12.953 10.120 332 HG22 THR 48 2HG2 THR 48 2.136 12.038 10.626 333 HG23 THR 48 3HG2 THR 48 2.573 13.526 11.466 334 H ALA 49 H ALA 49 3.349 11.430 8.372 335 HA ALA 49 HA ALA 49 1.242 9.962 6.928 336 HB1 ALA 49 1HB ALA 49 2.719 9.393 5.374 337 HB2 ALA 49 2HB ALA 49 4.011 10.223 6.243 338 HB3 ALA 49 3HB ALA 49 3.642 8.537 6.609 339 H SER 50 H SER 50 0.356 8.363 8.058 340 HA SER 50 HA SER 50 1.923 6.840 9.966 341 HB2 SER 50 1HB SER 50 -0.190 8.783 10.757 342 HB3 SER 50 2HB SER 50 -0.155 7.236 11.605 343 HG SER 50 HG SER 50 1.849 7.681 12.357 344 H ILE 51 H ILE 51 1.200 4.781 10.206 345 HA ILE 51 HA ILE 51 -1.461 4.088 9.205 346 HB ILE 51 HB ILE 51 1.063 2.709 8.282 347 HG12 ILE 51 1HG1 ILE 51 -0.948 4.403 6.784 348 HG13 ILE 51 2HG1 ILE 51 0.716 4.844 7.149 349 HG21 ILE 51 1HG2 ILE 51 -0.213 1.097 7.265 350 HG22 ILE 51 2HG2 ILE 51 -1.169 1.401 8.716 351 HG23 ILE 51 3HG2 ILE 51 -1.641 2.127 7.179 352 HD11 ILE 51 1HD1 ILE 51 -0.113 3.769 4.816 353 HD12 ILE 51 2HD1 ILE 51 1.533 3.654 5.440 354 HD13 ILE 51 3HD1 ILE 51 0.401 2.324 5.688 355 H LYS 52 H LYS 52 -2.422 2.427 10.267 356 HA LYS 52 HA LYS 52 -0.806 0.810 12.102 357 HB2 LYS 52 1HB LYS 52 -1.626 2.518 13.544 358 HB3 LYS 52 2HB LYS 52 -3.232 2.445 12.831 359 HG2 LYS 52 1HG LYS 52 -3.564 1.325 14.800 360 HG3 LYS 52 2HG LYS 52 -3.198 -0.013 13.708 361 HD2 LYS 52 1HD LYS 52 -1.775 -0.552 15.398 362 HD3 LYS 52 2HD LYS 52 -0.718 0.546 14.509 363 HE2 LYS 52 1HE LYS 52 -1.904 2.343 16.049 364 HE3 LYS 52 2HE LYS 52 -2.144 0.940 17.089 365 HZ1 LYS 52 1HZ LYS 52 0.474 0.790 16.303 366 HZ2 LYS 52 2HZ LYS 52 -0.092 1.303 17.812 367 HZ3 LYS 52 3HZ LYS 52 0.231 2.438 16.599 368 H ALA 53 H ALA 53 -1.209 -1.268 11.772 369 HA ALA 53 HA ALA 53 -3.214 -2.221 10.057 370 HB1 ALA 53 1HB ALA 53 -1.112 -3.366 11.716 371 HB2 ALA 53 2HB ALA 53 -2.532 -4.405 11.580 372 HB3 ALA 53 3HB ALA 53 -1.697 -3.857 10.126 373 HA PRO 54 HA PRO 54 -6.803 -2.822 12.508 374 HB2 PRO 54 1HB PRO 54 -7.625 -5.321 11.838 375 HB3 PRO 54 2HB PRO 54 -7.743 -3.944 10.737 376 HG2 PRO 54 1HG PRO 54 -5.681 -6.110 10.845 377 HG3 PRO 54 2HG PRO 54 -6.481 -5.398 9.432 378 HD2 PRO 54 1HD PRO 54 -3.981 -4.694 10.199 379 HD3 PRO 54 2HD PRO 54 -5.098 -3.554 9.422 380 H SER 55 H SER 55 -4.097 -4.837 12.989 381 HA SER 55 HA SER 55 -5.272 -6.116 15.348 382 HB2 SER 55 1HB SER 55 -3.916 -7.405 13.580 383 HB3 SER 55 2HB SER 55 -2.500 -6.619 14.277 384 HG SER 55 HG SER 55 -4.220 -8.525 15.403 385 H GLY 56 H GLY 56 -4.063 -3.241 14.812 386 HA2 GLY 56 1HA GLY 56 -3.264 -1.652 16.290 387 HA3 GLY 56 2HA GLY 56 -3.128 -2.910 17.509 388 H ARG 57 H ARG 57 -1.625 -3.332 14.410 389 HA ARG 57 HA ARG 57 0.999 -3.056 15.709 390 HB2 ARG 57 1HB ARG 57 0.341 -4.548 13.165 391 HB3 ARG 57 2HB ARG 57 1.857 -4.590 14.054 392 HG2 ARG 57 1HG ARG 57 0.830 -5.751 15.878 393 HG3 ARG 57 2HG ARG 57 -0.769 -5.561 15.155 394 HD2 ARG 57 1HD ARG 57 -0.058 -7.784 14.705 395 HD3 ARG 57 2HD ARG 57 0.069 -6.883 13.194 396 HE ARG 57 HE ARG 57 2.300 -7.331 13.200 397 HH11 ARG 57 1HH1 ARG 57 1.122 -7.578 16.466 398 HH12 ARG 57 2HH1 ARG 57 2.638 -8.112 17.112 399 HH21 ARG 57 1HH2 ARG 57 4.302 -8.031 14.038 400 HH22 ARG 57 2HH2 ARG 57 4.447 -8.368 15.729 401 H ASP 58 H ASP 58 1.870 -1.128 15.322 402 HA ASP 58 HA ASP 58 1.211 0.534 13.139 403 HB2 ASP 58 1HB ASP 58 2.051 1.795 14.856 404 HB3 ASP 58 2HB ASP 58 3.234 0.573 15.318 405 H GLU 59 H GLU 59 2.626 1.268 11.424 406 HA GLU 59 HA GLU 59 4.716 -0.630 10.638 407 HB2 GLU 59 1HB GLU 59 2.444 0.256 8.851 408 HB3 GLU 59 2HB GLU 59 3.843 -0.666 8.322 409 HG2 GLU 59 1HG GLU 59 1.698 -1.546 10.236 410 HG3 GLU 59 2HG GLU 59 2.008 -2.162 8.613 411 HA PRO 60 HA PRO 60 6.931 3.046 9.659 412 HB2 PRO 60 1HB PRO 60 8.785 1.991 7.979 413 HB3 PRO 60 2HB PRO 60 8.822 1.743 9.729 414 HG2 PRO 60 1HG PRO 60 7.808 -0.077 7.579 415 HG3 PRO 60 2HG PRO 60 8.783 -0.467 9.007 416 HD2 PRO 60 1HD PRO 60 6.112 -0.899 8.905 417 HD3 PRO 60 2HD PRO 60 6.954 -0.476 10.411 418 H CYS 61 H CYS 61 5.770 4.457 8.452 419 HA CYS 61 HA CYS 61 5.499 3.892 5.574 420 HB2 CYS 61 1HB CYS 61 3.668 5.717 5.756 421 HB3 CYS 61 2HB CYS 61 3.310 4.103 6.358 422 HG CYS 61 HG CYS 61 2.270 5.245 8.441 423 H LEU 62 H LEU 62 5.972 5.521 4.085 424 HA LEU 62 HA LEU 62 7.298 7.918 5.148 425 HB2 LEU 62 1HB LEU 62 8.790 5.917 4.292 426 HB3 LEU 62 2HB LEU 62 8.402 6.604 2.715 427 HG LEU 62 HG LEU 62 10.588 7.337 3.673 428 HD11 LEU 62 1HD1 LEU 62 8.930 9.785 3.485 429 HD12 LEU 62 2HD1 LEU 62 8.907 8.677 2.113 430 HD13 LEU 62 3HD1 LEU 62 10.433 9.365 2.665 431 HD21 LEU 62 1HD2 LEU 62 9.238 9.251 5.462 432 HD22 LEU 62 2HD2 LEU 62 10.787 8.426 5.638 433 HD23 LEU 62 3HD2 LEU 62 9.287 7.578 6.018 434 H LEU 63 H LEU 63 7.080 9.772 3.930 435 HA LEU 63 HA LEU 63 5.025 9.651 1.850 436 HB2 LEU 63 1HB LEU 63 6.035 11.763 3.693 437 HB3 LEU 63 2HB LEU 63 5.280 12.249 2.176 438 HG LEU 63 HG LEU 63 3.919 10.475 4.194 439 HD11 LEU 63 1HD1 LEU 63 4.579 13.174 4.536 440 HD12 LEU 63 2HD1 LEU 63 3.429 12.219 5.471 441 HD13 LEU 63 3HD1 LEU 63 2.877 13.147 4.078 442 HD21 LEU 63 1HD2 LEU 63 3.076 11.937 1.715 443 HD22 LEU 63 2HD2 LEU 63 1.908 11.486 2.958 444 HD23 LEU 63 3HD2 LEU 63 2.847 10.239 2.135 445 H LYS 64 H LYS 64 5.508 9.874 -0.228 446 HA LYS 64 HA LYS 64 8.007 11.238 -0.967 447 HB2 LYS 64 1HB LYS 64 8.577 9.572 -2.550 448 HB3 LYS 64 2HB LYS 64 8.175 8.708 -1.071 449 HG2 LYS 64 1HG LYS 64 5.789 8.604 -2.174 450 HG3 LYS 64 2HG LYS 64 6.718 8.827 -3.659 451 HD2 LYS 64 1HD LYS 64 7.362 6.709 -1.617 452 HD3 LYS 64 2HD LYS 64 6.279 6.433 -2.982 453 HE2 LYS 64 1HE LYS 64 8.334 7.443 -4.323 454 HE3 LYS 64 2HE LYS 64 9.224 6.827 -2.930 455 HZ1 LYS 64 1HZ LYS 64 8.972 4.742 -3.620 456 HZ2 LYS 64 2HZ LYS 64 8.494 5.384 -5.111 457 HZ3 LYS 64 3HZ LYS 64 7.328 4.944 -3.967 458 H ARG 65 H ARG 65 7.987 11.545 -3.495 459 HA ARG 65 HA ARG 65 5.365 12.703 -4.160 460 HB2 ARG 65 1HB ARG 65 7.642 14.064 -3.971 461 HB3 ARG 65 2HB ARG 65 7.835 13.499 -5.624 462 HG2 ARG 65 1HG ARG 65 5.478 15.059 -4.584 463 HG3 ARG 65 2HG ARG 65 6.825 15.726 -5.509 464 HD2 ARG 65 1HD ARG 65 6.226 14.526 -7.444 465 HD3 ARG 65 2HD ARG 65 5.140 13.466 -6.545 466 HE ARG 65 HE ARG 65 3.492 15.016 -6.821 467 HH11 ARG 65 1HH1 ARG 65 6.571 16.573 -7.285 468 HH12 ARG 65 2HH1 ARG 65 5.880 18.087 -7.768 469 HH21 ARG 65 1HH2 ARG 65 2.570 17.004 -7.455 470 HH22 ARG 65 2HH2 ARG 65 3.603 18.331 -7.863 471 H LEU 66 H LEU 66 4.238 11.612 -5.619 472 HA LEU 66 HA LEU 66 5.550 9.708 -7.371 473 HB2 LEU 66 1HB LEU 66 2.641 10.400 -6.987 474 HB3 LEU 66 2HB LEU 66 3.239 9.119 -8.041 475 HG LEU 66 HG LEU 66 3.670 9.181 -5.057 476 HD11 LEU 66 1HD1 LEU 66 1.943 7.264 -5.209 477 HD12 LEU 66 2HD1 LEU 66 1.462 8.037 -6.720 478 HD13 LEU 66 3HD1 LEU 66 1.372 8.933 -5.203 479 HD21 LEU 66 1HD2 LEU 66 3.776 6.744 -6.764 480 HD22 LEU 66 2HD2 LEU 66 4.616 7.104 -5.255 481 HD23 LEU 66 3HD2 LEU 66 5.155 7.844 -6.763 482 HA PRO 67 HA PRO 67 5.657 12.200 -10.985 483 HB2 PRO 67 1HB PRO 67 5.277 10.325 -12.910 484 HB3 PRO 67 2HB PRO 67 6.782 10.469 -11.994 485 HG2 PRO 67 1HG PRO 67 4.496 8.578 -11.594 486 HG3 PRO 67 2HG PRO 67 6.237 8.256 -11.532 487 HD2 PRO 67 1HD PRO 67 4.736 8.579 -9.302 488 HD3 PRO 67 2HD PRO 67 6.440 9.070 -9.385 489 H ASN 68 H ASN 68 4.408 12.599 -13.081 490 HA ASN 68 HA ASN 68 2.493 13.231 -14.132 491 HB2 ASN 68 1HB ASN 68 1.234 10.967 -12.566 492 HB3 ASN 68 2HB ASN 68 0.532 11.771 -13.968 493 HD21 ASN 68 1HD2 ASN 68 0.642 10.538 -15.686 494 HD22 ASN 68 2HD2 ASN 68 1.962 9.517 -16.131 495 H ASN 69 H ASN 69 3.255 14.312 -11.488 496 HA ASN 69 HA ASN 69 2.472 15.842 -9.998 497 HB2 ASN 69 1HB ASN 69 0.384 15.889 -12.129 498 HB3 ASN 69 2HB ASN 69 0.031 16.700 -10.606 499 HD21 ASN 69 1HD2 ASN 69 2.024 16.666 -13.444 500 HD22 ASN 69 2HD2 ASN 69 2.697 18.244 -13.239 501 H HIS 70 H HIS 70 2.297 13.283 -9.155 502 HA HIS 70 HA HIS 70 -0.195 13.302 -7.597 503 HB2 HIS 70 1HB HIS 70 1.095 10.844 -8.802 504 HB3 HIS 70 2HB HIS 70 -0.324 10.855 -7.759 505 HD1 HIS 70 1HD HIS 70 -1.441 13.491 -9.387 506 HD2 HIS 70 2HD HIS 70 -0.484 9.731 -10.871 507 HE1 HIS 70 1HE HIS 70 -2.747 13.260 -11.523 508 HE2 HIS 70 2HE HIS 70 -2.218 10.943 -12.359 509 H ILE 71 H ILE 71 -0.052 12.122 -5.560 510 HA ILE 71 HA ILE 71 2.646 11.579 -4.588 511 HB ILE 71 HB ILE 71 0.795 13.531 -3.215 512 HG12 ILE 71 1HG1 ILE 71 3.478 13.924 -4.556 513 HG13 ILE 71 2HG1 ILE 71 1.929 14.530 -5.131 514 HG21 ILE 71 1HG2 ILE 71 3.582 13.054 -2.313 515 HG22 ILE 71 2HG2 ILE 71 2.157 13.524 -1.388 516 HG23 ILE 71 3HG2 ILE 71 2.362 11.850 -1.901 517 HD11 ILE 71 1HD1 ILE 71 1.819 16.160 -3.505 518 HD12 ILE 71 2HD1 ILE 71 2.937 15.312 -2.434 519 HD13 ILE 71 3HD1 ILE 71 3.542 16.114 -3.884 520 H GLY 72 H GLY 72 2.733 10.008 -3.050 521 HA2 GLY 72 1HA GLY 72 0.248 9.169 -1.743 522 HA3 GLY 72 2HA GLY 72 1.087 7.990 -2.740 523 H ILE 73 H ILE 73 1.054 6.840 -0.609 524 HA ILE 73 HA ILE 73 3.279 7.717 1.108 525 HB ILE 73 HB ILE 73 1.053 7.474 2.213 526 HG12 ILE 73 1HG1 ILE 73 2.838 5.357 3.347 527 HG13 ILE 73 2HG1 ILE 73 3.438 7.008 3.238 528 HG21 ILE 73 1HG2 ILE 73 0.380 5.066 2.696 529 HG22 ILE 73 2HG2 ILE 73 0.037 5.685 1.082 530 HG23 ILE 73 3HG2 ILE 73 1.421 4.623 1.343 531 HD11 ILE 73 1HD1 ILE 73 1.665 5.837 5.158 532 HD12 ILE 73 2HD1 ILE 73 2.444 7.419 5.167 533 HD13 ILE 73 3HD1 ILE 73 0.889 7.207 4.363 534 H SER 74 H SER 74 4.549 5.934 2.107 535 HA SER 74 HA SER 74 4.726 3.546 0.410 536 HB2 SER 74 1HB SER 74 7.303 3.838 0.691 537 HB3 SER 74 2HB SER 74 6.465 4.774 -0.547 538 HG SER 74 HG SER 74 7.127 6.495 0.434 539 H PHE 75 H PHE 75 4.313 1.927 1.761 540 HA PHE 75 HA PHE 75 5.959 1.611 4.130 541 HB2 PHE 75 1HB PHE 75 4.202 1.418 5.697 542 HB3 PHE 75 2HB PHE 75 3.832 2.874 4.778 543 HD1 PHE 75 1HD PHE 75 2.131 2.715 2.914 544 HD2 PHE 75 2HD PHE 75 2.678 -0.344 5.822 545 HE1 PHE 75 1HE PHE 75 -0.095 1.813 2.380 546 HE2 PHE 75 2HE PHE 75 0.455 -1.252 5.292 547 HZ PHE 75 HZ PHE 75 -0.936 -0.173 3.569 548 H ILE 76 H ILE 76 5.354 -0.564 5.227 549 HA ILE 76 HA ILE 76 4.759 -2.531 3.113 550 HB ILE 76 HB ILE 76 6.682 -2.882 5.415 551 HG12 ILE 76 1HG1 ILE 76 7.520 -2.903 2.549 552 HG13 ILE 76 2HG1 ILE 76 7.228 -1.349 3.322 553 HG21 ILE 76 1HG2 ILE 76 6.543 -5.060 5.023 554 HG22 ILE 76 2HG2 ILE 76 5.327 -4.766 3.780 555 HG23 ILE 76 3HG2 ILE 76 7.037 -4.793 3.351 556 HD11 ILE 76 1HD1 ILE 76 8.944 -3.259 4.779 557 HD12 ILE 76 2HD1 ILE 76 9.603 -2.537 3.311 558 HD13 ILE 76 3HD1 ILE 76 9.059 -1.505 4.633 559 HA PRO 77 HA PRO 77 1.496 -3.352 6.136 560 HB2 PRO 77 1HB PRO 77 -0.043 -4.764 4.403 561 HB3 PRO 77 2HB PRO 77 -0.022 -2.998 4.449 562 HG2 PRO 77 1HG PRO 77 1.408 -4.862 2.593 563 HG3 PRO 77 2HG PRO 77 0.554 -3.352 2.224 564 HD2 PRO 77 1HD PRO 77 3.250 -3.487 2.434 565 HD3 PRO 77 2HD PRO 77 2.327 -2.039 2.887 566 H ARG 78 H ARG 78 1.823 -4.909 7.587 567 HA ARG 78 HA ARG 78 2.979 -7.452 6.773 568 HB2 ARG 78 1HB ARG 78 2.642 -5.991 9.342 569 HB3 ARG 78 2HB ARG 78 2.720 -7.746 9.415 570 HG2 ARG 78 1HG ARG 78 4.909 -6.758 9.758 571 HG3 ARG 78 2HG ARG 78 4.872 -7.707 8.271 572 HD2 ARG 78 1HD ARG 78 4.505 -5.610 7.001 573 HD3 ARG 78 2HD ARG 78 4.680 -4.708 8.505 574 HE ARG 78 HE ARG 78 6.777 -5.805 6.907 575 HH11 ARG 78 1HH1 ARG 78 5.855 -4.987 10.163 576 HH12 ARG 78 2HH1 ARG 78 7.486 -4.776 10.711 577 HH21 ARG 78 1HH2 ARG 78 8.928 -5.530 7.616 578 HH22 ARG 78 2HH2 ARG 78 9.232 -5.085 9.260 579 H GLU 79 H GLU 79 -0.063 -6.116 7.715 580 HA GLU 79 HA GLU 79 -1.221 -8.826 7.779 581 HB2 GLU 79 1HB GLU 79 -1.749 -6.415 9.438 582 HB3 GLU 79 2HB GLU 79 -3.127 -7.422 9.017 583 HG2 GLU 79 1HG GLU 79 -2.246 -9.287 10.132 584 HG3 GLU 79 2HG GLU 79 -0.641 -8.566 10.239 585 H VAL 80 H VAL 80 -3.548 -8.878 7.096 586 HA VAL 80 HA VAL 80 -3.959 -7.051 4.818 587 HB VAL 80 HB VAL 80 -5.303 -8.863 3.790 588 HG11 VAL 80 1HG1 VAL 80 -3.384 -10.313 3.197 589 HG12 VAL 80 2HG1 VAL 80 -3.005 -8.592 3.111 590 HG13 VAL 80 3HG1 VAL 80 -2.450 -9.551 4.484 591 HG21 VAL 80 1HG2 VAL 80 -4.343 -10.416 6.185 592 HG22 VAL 80 2HG2 VAL 80 -6.008 -10.116 5.688 593 HG23 VAL 80 3HG2 VAL 80 -4.978 -11.174 4.724 594 H GLY 81 H GLY 81 -5.890 -6.024 4.591 595 HA2 GLY 81 1HA GLY 81 -8.385 -6.533 5.324 596 HA3 GLY 81 2HA GLY 81 -7.687 -6.136 6.888 597 H GLU 82 H GLU 82 -8.588 -4.219 7.369 598 HA GLU 82 HA GLU 82 -8.517 -2.103 5.330 599 HB2 GLU 82 1HB GLU 82 -10.735 -2.517 6.207 600 HB3 GLU 82 2HB GLU 82 -10.151 -2.358 7.858 601 HG2 GLU 82 1HG GLU 82 -9.572 0.006 7.361 602 HG3 GLU 82 2HG GLU 82 -10.333 -0.189 5.783 603 H HIS 83 H HIS 83 -6.531 -1.195 5.506 604 HA HIS 83 HA HIS 83 -5.442 -0.557 8.128 605 HB2 HIS 83 1HB HIS 83 -4.385 -0.578 5.336 606 HB3 HIS 83 2HB HIS 83 -3.593 0.456 6.522 607 HD1 HIS 83 1HD HIS 83 -4.759 -3.177 6.470 608 HD2 HIS 83 2HD HIS 83 -1.537 -0.847 7.672 609 HE1 HIS 83 1HE HIS 83 -3.090 -4.788 7.439 610 HE2 HIS 83 2HE HIS 83 -1.185 -3.346 8.238 611 H LEU 84 H LEU 84 -5.676 1.350 9.085 612 HA LEU 84 HA LEU 84 -6.868 3.547 7.574 613 HB2 LEU 84 1HB LEU 84 -6.619 2.869 10.469 614 HB3 LEU 84 2HB LEU 84 -6.898 4.542 9.994 615 HG LEU 84 HG LEU 84 -8.701 2.234 9.273 616 HD11 LEU 84 1HD1 LEU 84 -10.162 3.746 10.935 617 HD12 LEU 84 2HD1 LEU 84 -8.565 3.991 11.640 618 HD13 LEU 84 3HD1 LEU 84 -9.212 2.359 11.468 619 HD21 LEU 84 1HD2 LEU 84 -8.794 4.076 7.686 620 HD22 LEU 84 2HD2 LEU 84 -9.043 5.219 9.005 621 HD23 LEU 84 3HD2 LEU 84 -10.272 4.006 8.646 622 H VAL 85 H VAL 85 -5.617 5.077 6.754 623 HA VAL 85 HA VAL 85 -2.931 5.478 7.852 624 HB VAL 85 HB VAL 85 -4.034 6.682 5.317 625 HG11 VAL 85 1HG1 VAL 85 -1.689 7.139 6.714 626 HG12 VAL 85 2HG1 VAL 85 -1.210 6.036 5.423 627 HG13 VAL 85 3HG1 VAL 85 -2.006 7.560 5.031 628 HG21 VAL 85 1HG2 VAL 85 -2.565 4.067 5.645 629 HG22 VAL 85 2HG2 VAL 85 -4.255 4.256 5.178 630 HG23 VAL 85 3HG2 VAL 85 -2.976 4.832 4.110 631 H SER 86 H SER 86 -2.718 7.022 9.323 632 HA SER 86 HA SER 86 -4.624 9.196 9.495 633 HB2 SER 86 1HB SER 86 -2.153 8.838 11.192 634 HB3 SER 86 2HB SER 86 -3.632 9.710 11.594 635 HG SER 86 HG SER 86 -4.289 7.908 12.430 636 H ILE 87 H ILE 87 -4.373 10.805 8.080 637 HA ILE 87 HA ILE 87 -1.656 11.864 7.650 638 HB ILE 87 HB ILE 87 -3.964 12.275 5.762 639 HG12 ILE 87 1HG1 ILE 87 -3.439 9.830 6.085 640 HG13 ILE 87 2HG1 ILE 87 -3.222 10.420 4.442 641 HG21 ILE 87 1HG2 ILE 87 -1.587 12.295 4.364 642 HG22 ILE 87 2HG2 ILE 87 -2.496 13.710 4.893 643 HG23 ILE 87 3HG2 ILE 87 -1.178 13.087 5.885 644 HD11 ILE 87 1HD1 ILE 87 -1.278 9.318 6.318 645 HD12 ILE 87 2HD1 ILE 87 -1.258 9.373 4.555 646 HD13 ILE 87 3HD1 ILE 87 -0.738 10.777 5.488 647 H LYS 88 H LYS 88 -1.306 13.744 8.607 648 HA LYS 88 HA LYS 88 -3.481 15.716 8.711 649 HB2 LYS 88 1HB LYS 88 -1.595 15.542 11.018 650 HB3 LYS 88 2HB LYS 88 -3.250 16.136 10.967 651 HG2 LYS 88 1HG LYS 88 -4.148 13.974 11.038 652 HG3 LYS 88 2HG LYS 88 -2.605 13.229 10.616 653 HD2 LYS 88 1HD LYS 88 -1.685 13.988 12.780 654 HD3 LYS 88 2HD LYS 88 -3.269 14.643 13.199 655 HE2 LYS 88 1HE LYS 88 -4.112 12.241 12.711 656 HE3 LYS 88 2HE LYS 88 -2.418 11.788 12.895 657 HZ1 LYS 88 1HZ LYS 88 -2.775 13.284 15.067 658 HZ2 LYS 88 2HZ LYS 88 -3.004 11.608 15.043 659 HZ3 LYS 88 3HZ LYS 88 -4.332 12.646 14.898 660 H LYS 89 H LYS 89 -2.566 17.925 9.385 661 HA LYS 89 HA LYS 89 0.090 18.308 8.170 662 HB2 LYS 89 1HB LYS 89 -1.809 19.020 6.686 663 HB3 LYS 89 2HB LYS 89 -2.241 20.211 7.906 664 HG2 LYS 89 1HG LYS 89 0.192 21.028 7.640 665 HG3 LYS 89 2HG LYS 89 0.160 20.119 6.127 666 HD2 LYS 89 1HD LYS 89 -2.076 21.425 5.743 667 HD3 LYS 89 2HD LYS 89 -1.392 22.542 6.926 668 HE2 LYS 89 1HE LYS 89 0.181 21.629 4.540 669 HE3 LYS 89 2HE LYS 89 -0.946 22.980 4.432 670 HZ1 LYS 89 1HZ LYS 89 1.587 23.300 5.067 671 HZ2 LYS 89 2HZ LYS 89 0.979 23.032 6.622 672 HZ3 LYS 89 3HZ LYS 89 0.372 24.303 5.685 673 H ASN 90 H ASN 90 1.355 18.740 9.879 674 HA ASN 90 HA ASN 90 2.243 19.831 11.666 675 HB2 ASN 90 1HB ASN 90 0.365 21.904 10.578 676 HB3 ASN 90 2HB ASN 90 1.229 22.199 12.083 677 HD21 ASN 90 1HD2 ASN 90 1.997 20.813 8.905 678 HD22 ASN 90 2HD2 ASN 90 3.436 21.739 8.662 679 H GLY 91 H GLY 91 -0.080 18.046 11.970 680 HA2 GLY 91 1HA GLY 91 -0.959 17.251 14.015 681 HA3 GLY 91 2HA GLY 91 -0.778 18.862 14.692 682 H ASN 92 H ASN 92 -2.191 18.722 11.582 683 HA ASN 92 HA ASN 92 -4.892 18.874 12.737 684 HB2 ASN 92 1HB ASN 92 -3.666 20.735 10.693 685 HB3 ASN 92 2HB ASN 92 -5.391 20.669 11.045 686 HD21 ASN 92 1HD2 ASN 92 -2.253 21.562 12.230 687 HD22 ASN 92 2HD2 ASN 92 -2.803 22.516 13.562 688 H HIS 93 H HIS 93 -5.758 17.014 12.018 689 HA HIS 93 HA HIS 93 -5.200 15.460 9.896 690 HB2 HIS 93 1HB HIS 93 -7.749 16.080 11.301 691 HB3 HIS 93 2HB HIS 93 -7.854 15.167 9.799 692 HD1 HIS 93 1HD HIS 93 -6.811 12.784 9.787 693 HD2 HIS 93 2HD HIS 93 -6.698 14.695 13.474 694 HE1 HIS 93 1HE HIS 93 -6.248 10.990 11.457 695 HE2 HIS 93 2HE HIS 93 -6.269 12.154 13.691 696 H VAL 94 H VAL 94 -5.757 15.289 7.726 697 HA VAL 94 HA VAL 94 -6.664 17.803 6.488 698 HB VAL 94 HB VAL 94 -5.448 17.147 4.484 699 HG11 VAL 94 1HG1 VAL 94 -3.295 17.636 5.240 700 HG12 VAL 94 2HG1 VAL 94 -4.344 18.319 6.485 701 HG13 VAL 94 3HG1 VAL 94 -3.533 16.777 6.761 702 HG21 VAL 94 1HG2 VAL 94 -4.334 14.798 5.988 703 HG22 VAL 94 2HG2 VAL 94 -5.755 14.658 4.953 704 HG23 VAL 94 3HG2 VAL 94 -4.210 15.162 4.266 705 H ALA 95 H ALA 95 -7.522 17.296 4.142 706 HA ALA 95 HA ALA 95 -9.959 15.902 4.463 707 HB1 ALA 95 1HB ALA 95 -10.124 16.246 1.944 708 HB2 ALA 95 2HB ALA 95 -9.985 17.691 2.946 709 HB3 ALA 95 3HB ALA 95 -8.578 17.083 2.073 710 H ASN 96 H ASN 96 -10.670 13.948 3.644 711 HA ASN 96 HA ASN 96 -10.568 11.792 2.920 712 HB2 ASN 96 1HB ASN 96 -7.936 12.477 1.609 713 HB3 ASN 96 2HB ASN 96 -9.056 11.190 1.171 714 HD21 ASN 96 1HD2 ASN 96 -8.227 14.485 0.814 715 HD22 ASN 96 2HD2 ASN 96 -9.488 14.919 -0.285 716 H SER 97 H SER 97 -9.339 12.695 5.427 717 HA SER 97 HA SER 97 -7.597 10.369 5.866 718 HB2 SER 97 1HB SER 97 -6.143 12.332 5.725 719 HB3 SER 97 2HB SER 97 -7.116 13.160 6.941 720 HG SER 97 HG SER 97 -5.689 12.290 8.237 721 HA PRO 98 HA PRO 98 -6.557 9.448 7.589 722 HB2 PRO 98 1HB PRO 98 -7.237 6.983 8.503 723 HB3 PRO 98 2HB PRO 98 -6.650 8.273 9.561 724 HG2 PRO 98 1HG PRO 98 -9.459 7.376 9.047 725 HG3 PRO 98 2HG PRO 98 -8.685 7.804 10.584 726 HD2 PRO 98 1HD PRO 98 -10.306 9.510 9.244 727 HD3 PRO 98 2HD PRO 98 -8.933 10.067 10.224 728 H VAL 99 H VAL 99 -5.983 8.179 5.862 729 HA VAL 99 HA VAL 99 -8.058 7.610 3.934 730 HB VAL 99 HB VAL 99 -5.121 6.991 3.654 731 HG11 VAL 99 1HG1 VAL 99 -6.394 7.866 1.263 732 HG12 VAL 99 2HG1 VAL 99 -5.679 6.293 1.622 733 HG13 VAL 99 3HG1 VAL 99 -7.377 6.596 1.991 734 HG21 VAL 99 1HG2 VAL 99 -6.189 9.481 2.487 735 HG22 VAL 99 2HG2 VAL 99 -5.988 9.469 4.239 736 HG23 VAL 99 3HG2 VAL 99 -4.607 9.142 3.191 737 H SER 100 H SER 100 -9.124 5.756 3.883 738 HA SER 100 HA SER 100 -8.095 3.422 5.258 739 HB2 SER 100 1HB SER 100 -10.576 4.324 5.134 740 HB3 SER 100 2HB SER 100 -10.622 3.364 3.656 741 HG SER 100 HG SER 100 -9.786 2.352 6.170 742 H ILE 101 H ILE 101 -7.147 1.718 4.338 743 HA ILE 101 HA ILE 101 -7.296 1.445 1.409 744 HB ILE 101 HB ILE 101 -4.854 1.002 3.131 745 HG12 ILE 101 1HG1 ILE 101 -5.213 2.982 0.883 746 HG13 ILE 101 2HG1 ILE 101 -5.539 3.392 2.564 747 HG21 ILE 101 1HG2 ILE 101 -3.825 0.775 0.747 748 HG22 ILE 101 2HG2 ILE 101 -4.624 -0.606 1.496 749 HG23 ILE 101 3HG2 ILE 101 -5.473 0.353 0.284 750 HD11 ILE 101 1HD1 ILE 101 -3.304 4.090 1.778 751 HD12 ILE 101 2HD1 ILE 101 -3.252 2.992 3.158 752 HD13 ILE 101 3HD1 ILE 101 -2.894 2.391 1.538 753 H MET 102 H MET 102 -7.257 -0.656 0.577 754 HA MET 102 HA MET 102 -7.934 -2.730 2.544 755 HB2 MET 102 1HB MET 102 -9.578 -2.125 0.718 756 HB3 MET 102 2HB MET 102 -8.434 -2.806 -0.432 757 HG2 MET 102 1HG MET 102 -9.768 -4.610 -0.111 758 HG3 MET 102 2HG MET 102 -8.589 -4.890 1.168 759 HE1 MET 102 1HE MET 102 -10.806 -6.038 3.588 760 HE2 MET 102 2HE MET 102 -9.212 -5.902 2.846 761 HE3 MET 102 3HE MET 102 -9.687 -4.783 4.125 762 H VAL 103 H VAL 103 -6.542 -4.317 2.923 763 HA VAL 103 HA VAL 103 -4.427 -4.832 0.933 764 HB VAL 103 HB VAL 103 -4.266 -5.188 3.929 765 HG11 VAL 103 1HG1 VAL 103 -1.822 -5.233 2.299 766 HG12 VAL 103 2HG1 VAL 103 -2.289 -6.231 3.678 767 HG13 VAL 103 3HG1 VAL 103 -2.901 -6.609 2.068 768 HG21 VAL 103 1HG2 VAL 103 -2.398 -3.346 2.673 769 HG22 VAL 103 2HG2 VAL 103 -4.078 -2.844 2.493 770 HG23 VAL 103 3HG2 VAL 103 -3.412 -3.131 4.100 771 H VAL 104 H VAL 104 -4.247 -6.835 0.144 772 HA VAL 104 HA VAL 104 -5.483 -9.064 1.598 773 HB VAL 104 HB VAL 104 -6.458 -9.957 -0.466 774 HG11 VAL 104 1HG1 VAL 104 -7.432 -7.137 -0.078 775 HG12 VAL 104 2HG1 VAL 104 -8.366 -8.563 -0.532 776 HG13 VAL 104 3HG1 VAL 104 -7.715 -8.417 1.101 777 HG21 VAL 104 1HG2 VAL 104 -4.778 -8.112 -1.719 778 HG22 VAL 104 2HG2 VAL 104 -5.953 -9.180 -2.489 779 HG23 VAL 104 3HG2 VAL 104 -6.416 -7.540 -2.035 780 H GLN 105 H GLN 105 -4.536 -11.072 1.256 781 HA GLN 105 HA GLN 105 -1.811 -10.979 0.304 782 HB2 GLN 105 1HB GLN 105 -1.660 -13.272 1.156 783 HB3 GLN 105 2HB GLN 105 -2.345 -12.189 2.361 784 HG2 GLN 105 1HG GLN 105 -4.617 -13.026 1.343 785 HG3 GLN 105 2HG GLN 105 -3.626 -14.397 0.844 786 HE21 GLN 105 1HE2 GLN 105 -3.621 -12.377 3.756 787 HE22 GLN 105 2HE2 GLN 105 -3.825 -13.682 4.870 788 H SER 106 H SER 106 -1.249 -11.361 -1.723 789 HA SER 106 HA SER 106 -3.098 -12.436 -3.627 790 HB2 SER 106 1HB SER 106 -1.472 -10.680 -4.233 791 HB3 SER 106 2HB SER 106 -0.151 -11.811 -3.941 792 HG SER 106 HG SER 106 -2.209 -12.105 -5.876 793 H GLU 107 H GLU 107 -2.865 -14.339 -4.863 794 HA GLU 107 HA GLU 107 -1.517 -16.494 -3.408 795 HB2 GLU 107 1HB GLU 107 -3.865 -16.339 -5.228 796 HB3 GLU 107 2HB GLU 107 -2.931 -17.829 -5.237 797 HG2 GLU 107 1HG GLU 107 -3.225 -17.931 -2.758 798 HG3 GLU 107 2HG GLU 107 -4.331 -16.566 -2.896 799 H ILE 108 H ILE 108 -0.053 -14.627 -5.100 800 HA ILE 108 HA ILE 108 0.594 -15.339 -7.620 801 HB ILE 108 HB ILE 108 2.727 -14.423 -7.334 802 HG12 ILE 108 1HG1 ILE 108 3.397 -16.061 -5.543 803 HG13 ILE 108 2HG1 ILE 108 4.000 -14.425 -5.305 804 HG21 ILE 108 1HG2 ILE 108 2.337 -12.414 -6.210 805 HG22 ILE 108 2HG2 ILE 108 0.725 -12.979 -6.642 806 HG23 ILE 108 3HG2 ILE 108 1.319 -13.184 -4.995 807 HD11 ILE 108 1HD1 ILE 108 2.553 -14.020 -3.539 808 HD12 ILE 108 2HD1 ILE 108 1.473 -15.339 -3.994 809 HD13 ILE 108 3HD1 ILE 108 3.051 -15.694 -3.293 810 H GLY 109 H GLY 109 1.220 -17.204 -4.744 811 HA2 GLY 109 1HA GLY 109 2.600 -19.227 -6.398 812 HA3 GLY 109 2HA GLY 109 2.885 -19.006 -4.678 813 H ASP 110 H ASP 110 1.610 -21.097 -6.728 814 HA ASP 110 HA ASP 110 -0.905 -21.642 -5.411 815 HB2 ASP 110 1HB ASP 110 0.576 -23.339 -7.430 816 HB3 ASP 110 2HB ASP 110 -1.121 -23.477 -6.974 817 H SER 111 H SER 111 2.256 -23.246 -5.688 818 HA SER 111 HA SER 111 1.504 -25.047 -3.501 819 HB2 SER 111 1HB SER 111 3.613 -26.261 -4.137 820 HB3 SER 111 2HB SER 111 2.400 -26.196 -5.415 821 HG SER 111 HG SER 111 4.433 -24.251 -5.243 822 H GLY 112 H GLY 112 3.257 -25.547 -1.894 823 HA2 GLY 112 1HA GLY 112 4.508 -23.014 -1.055 824 HA3 GLY 112 2HA GLY 112 4.041 -24.317 0.027 825 HA PRO 113 HA PRO 113 8.583 -24.572 -1.486 826 HB2 PRO 113 1HB PRO 113 9.833 -23.338 0.584 827 HB3 PRO 113 2HB PRO 113 9.317 -22.483 -0.874 828 HG2 PRO 113 1HG PRO 113 7.977 -22.651 1.798 829 HG3 PRO 113 2HG PRO 113 8.194 -21.243 0.742 830 HD2 PRO 113 1HD PRO 113 5.865 -22.616 0.877 831 HD3 PRO 113 2HD PRO 113 6.422 -21.826 -0.612 832 H SER 114 H SER 114 9.492 -26.459 -0.975 833 HA SER 114 HA SER 114 8.610 -28.266 0.843 834 HB2 SER 114 1HB SER 114 10.884 -29.314 0.736 835 HB3 SER 114 2HB SER 114 10.218 -28.900 -0.844 836 HG SER 114 HG SER 114 12.186 -28.051 -0.971 837 H SER 115 H SER 115 11.235 -25.931 1.397 838 HA SER 115 HA SER 115 11.504 -26.695 4.161 839 HB2 SER 115 1HB SER 115 12.676 -24.306 2.718 840 HB3 SER 115 2HB SER 115 13.190 -24.940 4.280 841 HG SER 115 HG SER 115 13.405 -26.991 2.832 842 H GLY 116 H GLY 116 9.373 -26.330 4.943 843 HA2 GLY 116 1HA GLY 116 8.949 -23.551 5.738 844 HA3 GLY 116 2HA GLY 116 7.659 -24.320 4.826 Start of MODEL 19 1 H1 GLY 1 H GLY 1 15.779 -14.275 -34.103 2 HA2 GLY 1 1HA GLY 1 15.068 -14.984 -31.855 3 HA3 GLY 1 2HA GLY 1 13.784 -15.276 -33.017 4 H SER 2 H SER 2 14.724 -16.619 -30.439 5 HA SER 2 HA SER 2 15.103 -19.340 -31.486 6 HB2 SER 2 1HB SER 2 15.739 -18.055 -28.842 7 HB3 SER 2 2HB SER 2 15.605 -19.808 -28.984 8 HG SER 2 HG SER 2 17.615 -19.664 -29.588 9 H SER 3 H SER 3 13.202 -17.486 -29.130 10 HA SER 3 HA SER 3 11.497 -19.606 -28.377 11 HB2 SER 3 1HB SER 3 11.869 -17.344 -27.202 12 HB3 SER 3 2HB SER 3 10.686 -16.704 -28.341 13 HG SER 3 HG SER 3 9.818 -17.458 -26.291 14 H GLY 4 H GLY 4 11.031 -16.928 -30.681 15 HA2 GLY 4 1HA GLY 4 9.679 -16.753 -32.529 16 HA3 GLY 4 2HA GLY 4 9.606 -18.509 -32.534 17 H SER 5 H SER 5 7.399 -17.298 -33.347 18 HA SER 5 HA SER 5 5.478 -18.042 -31.334 19 HB2 SER 5 1HB SER 5 5.858 -15.756 -30.624 20 HB3 SER 5 2HB SER 5 5.649 -15.169 -32.274 21 HG SER 5 HG SER 5 3.793 -15.208 -30.590 22 H SER 6 H SER 6 3.725 -18.894 -32.271 23 HA SER 6 HA SER 6 3.290 -18.338 -35.134 24 HB2 SER 6 1HB SER 6 2.533 -20.625 -35.413 25 HB3 SER 6 2HB SER 6 4.128 -20.641 -34.659 26 HG SER 6 HG SER 6 1.812 -21.642 -33.738 27 H GLY 7 H GLY 7 1.710 -19.249 -32.087 28 HA2 GLY 7 1HA GLY 7 -0.842 -18.276 -33.193 29 HA3 GLY 7 2HA GLY 7 -0.686 -19.383 -31.837 30 H ILE 8 H ILE 8 -1.520 -16.336 -32.605 31 HA ILE 8 HA ILE 8 -0.262 -14.929 -30.423 32 HB ILE 8 HB ILE 8 -1.703 -13.045 -31.065 33 HG12 ILE 8 1HG1 ILE 8 -2.928 -13.563 -33.380 34 HG13 ILE 8 2HG1 ILE 8 -3.023 -15.174 -32.676 35 HG21 ILE 8 1HG2 ILE 8 0.065 -12.703 -32.384 36 HG22 ILE 8 2HG2 ILE 8 0.168 -14.406 -32.827 37 HG23 ILE 8 3HG2 ILE 8 -0.933 -13.335 -33.692 38 HD11 ILE 8 1HD1 ILE 8 -3.822 -13.046 -30.849 39 HD12 ILE 8 2HD1 ILE 8 -4.826 -13.173 -32.294 40 HD13 ILE 8 3HD1 ILE 8 -4.615 -14.571 -31.240 41 HA PRO 9 HA PRO 9 -3.181 -15.790 -27.253 42 HB2 PRO 9 1HB PRO 9 -3.019 -13.498 -25.808 43 HB3 PRO 9 2HB PRO 9 -1.740 -14.716 -25.821 44 HG2 PRO 9 1HG PRO 9 -1.926 -12.149 -27.349 45 HG3 PRO 9 2HG PRO 9 -0.531 -12.853 -26.509 46 HD2 PRO 9 1HD PRO 9 -0.856 -13.026 -29.192 47 HD3 PRO 9 2HD PRO 9 -0.057 -14.297 -28.243 48 H GLY 10 H GLY 10 -5.094 -15.834 -28.543 49 HA2 GLY 10 1HA GLY 10 -6.722 -13.392 -28.239 50 HA3 GLY 10 2HA GLY 10 -6.702 -14.273 -29.760 51 H SER 11 H SER 11 -8.737 -13.680 -27.493 52 HA SER 11 HA SER 11 -9.737 -16.447 -27.302 53 HB2 SER 11 1HB SER 11 -10.693 -15.940 -25.141 54 HB3 SER 11 2HB SER 11 -8.985 -15.502 -25.108 55 HG SER 11 HG SER 11 -10.275 -13.860 -24.204 56 HA PRO 12 HA PRO 12 -13.297 -15.018 -29.463 57 HB2 PRO 12 1HB PRO 12 -15.039 -16.966 -28.727 58 HB3 PRO 12 2HB PRO 12 -13.735 -17.232 -29.891 59 HG2 PRO 12 1HG PRO 12 -13.842 -17.910 -26.977 60 HG3 PRO 12 2HG PRO 12 -13.228 -18.879 -28.329 61 HD2 PRO 12 1HD PRO 12 -11.596 -17.491 -26.672 62 HD3 PRO 12 2HD PRO 12 -11.217 -17.754 -28.387 63 H PHE 13 H PHE 13 -13.003 -15.053 -26.105 64 HA PHE 13 HA PHE 13 -15.604 -14.521 -25.227 65 HB2 PHE 13 1HB PHE 13 -12.879 -13.856 -24.167 66 HB3 PHE 13 2HB PHE 13 -14.310 -13.201 -23.378 67 HD1 PHE 13 2HD PHE 13 -16.223 -15.321 -23.414 68 HD2 PHE 13 1HD PHE 13 -12.007 -15.538 -22.876 69 HE1 PHE 13 2HE PHE 13 -16.495 -17.422 -22.163 70 HE2 PHE 13 1HE PHE 13 -12.271 -17.640 -21.625 71 HZ PHE 13 HZ PHE 13 -14.518 -18.584 -21.265 72 H THR 14 H THR 14 -16.861 -12.740 -25.180 73 HA THR 14 HA THR 14 -16.401 -10.641 -26.988 74 HB THR 14 HB THR 14 -18.341 -9.518 -25.847 75 HG1 THR 14 1HG THR 14 -18.587 -11.897 -24.332 76 HG21 THR 14 1HG2 THR 14 -19.898 -11.604 -26.273 77 HG22 THR 14 2HG2 THR 14 -18.415 -12.293 -26.933 78 HG23 THR 14 3HG2 THR 14 -19.071 -10.801 -27.606 79 H ALA 15 H ALA 15 -16.266 -10.677 -23.429 80 HA ALA 15 HA ALA 15 -14.749 -8.154 -23.546 81 HB1 ALA 15 1HB ALA 15 -15.450 -7.971 -21.098 82 HB2 ALA 15 2HB ALA 15 -16.697 -7.719 -22.320 83 HB3 ALA 15 3HB ALA 15 -16.604 -9.256 -21.459 84 H LYS 16 H LYS 16 -12.785 -8.009 -22.565 85 HA LYS 16 HA LYS 16 -11.535 -10.516 -21.791 86 HB2 LYS 16 1HB LYS 16 -10.485 -8.792 -23.354 87 HB3 LYS 16 2HB LYS 16 -10.220 -7.806 -21.922 88 HG2 LYS 16 1HG LYS 16 -8.615 -9.209 -21.081 89 HG3 LYS 16 2HG LYS 16 -9.251 -10.621 -21.928 90 HD2 LYS 16 1HD LYS 16 -8.338 -9.903 -23.995 91 HD3 LYS 16 2HD LYS 16 -7.971 -8.299 -23.355 92 HE2 LYS 16 1HE LYS 16 -5.904 -9.357 -23.342 93 HE3 LYS 16 2HE LYS 16 -6.464 -9.559 -21.684 94 HZ1 LYS 16 1HZ LYS 16 -7.110 -11.658 -23.618 95 HZ2 LYS 16 2HZ LYS 16 -6.787 -11.779 -21.962 96 HZ3 LYS 16 3HZ LYS 16 -5.516 -11.563 -23.058 97 H ILE 17 H ILE 17 -11.766 -7.229 -20.425 98 HA ILE 17 HA ILE 17 -10.975 -8.204 -17.815 99 HB ILE 17 HB ILE 17 -11.637 -5.473 -18.883 100 HG12 ILE 17 1HG1 ILE 17 -9.409 -6.245 -19.381 101 HG13 ILE 17 2HG1 ILE 17 -9.296 -5.026 -18.116 102 HG21 ILE 17 1HG2 ILE 17 -10.962 -4.689 -16.547 103 HG22 ILE 17 2HG2 ILE 17 -12.584 -5.349 -16.746 104 HG23 ILE 17 3HG2 ILE 17 -11.313 -6.337 -16.028 105 HD11 ILE 17 1HD1 ILE 17 -9.473 -7.291 -16.644 106 HD12 ILE 17 2HD1 ILE 17 -8.605 -7.868 -18.067 107 HD13 ILE 17 3HD1 ILE 17 -7.963 -6.521 -17.129 108 H THR 18 H THR 18 -12.249 -8.261 -15.983 109 HA THR 18 HA THR 18 -14.824 -9.135 -16.119 110 HB THR 18 HB THR 18 -15.099 -8.400 -13.747 111 HG1 THR 18 1HG THR 18 -13.968 -6.585 -13.453 112 HG21 THR 18 1HG2 THR 18 -12.655 -9.513 -13.175 113 HG22 THR 18 2HG2 THR 18 -12.959 -10.077 -14.817 114 HG23 THR 18 3HG2 THR 18 -14.126 -10.412 -13.539 115 H ASP 19 H ASP 19 -16.882 -8.198 -15.669 116 HA ASP 19 HA ASP 19 -17.046 -5.329 -16.326 117 HB2 ASP 19 1HB ASP 19 -19.208 -7.315 -16.993 118 HB3 ASP 19 2HB ASP 19 -18.959 -5.701 -17.651 119 H ASP 20 H ASP 20 -16.800 -6.097 -13.706 120 HA ASP 20 HA ASP 20 -19.537 -5.824 -12.646 121 HB2 ASP 20 1HB ASP 20 -17.070 -6.974 -11.324 122 HB3 ASP 20 2HB ASP 20 -18.627 -6.758 -10.529 123 H SER 21 H SER 21 -19.788 -4.490 -10.726 124 HA SER 21 HA SER 21 -18.136 -2.095 -10.916 125 HB2 SER 21 1HB SER 21 -20.836 -2.707 -9.761 126 HB3 SER 21 2HB SER 21 -19.965 -1.267 -9.231 127 HG SER 21 HG SER 21 -21.052 -0.548 -10.950 128 H ARG 22 H ARG 22 -16.802 -4.240 -9.781 129 HA ARG 22 HA ARG 22 -16.914 -3.972 -6.896 130 HB2 ARG 22 1HB ARG 22 -15.266 -5.652 -8.774 131 HB3 ARG 22 2HB ARG 22 -14.916 -5.576 -7.052 132 HG2 ARG 22 1HG ARG 22 -17.109 -6.446 -6.529 133 HG3 ARG 22 2HG ARG 22 -17.546 -6.434 -8.239 134 HD2 ARG 22 1HD ARG 22 -16.958 -8.659 -7.777 135 HD3 ARG 22 2HD ARG 22 -15.553 -7.977 -8.593 136 HE ARG 22 HE ARG 22 -15.724 -8.838 -5.836 137 HH11 ARG 22 1HH1 ARG 22 -13.960 -7.014 -8.219 138 HH12 ARG 22 2HH1 ARG 22 -12.469 -7.055 -7.337 139 HH21 ARG 22 1HH2 ARG 22 -13.767 -8.898 -4.665 140 HH22 ARG 22 2HH2 ARG 22 -12.360 -8.127 -5.315 141 H ARG 23 H ARG 23 -15.615 -2.748 -5.672 142 HA ARG 23 HA ARG 23 -13.319 -1.438 -6.978 143 HB2 ARG 23 1HB ARG 23 -15.110 0.178 -6.649 144 HB3 ARG 23 2HB ARG 23 -15.232 -0.265 -4.953 145 HG2 ARG 23 1HG ARG 23 -14.043 1.781 -5.068 146 HG3 ARG 23 2HG ARG 23 -12.874 0.521 -4.668 147 HD2 ARG 23 1HD ARG 23 -12.369 0.397 -7.148 148 HD3 ARG 23 2HD ARG 23 -13.310 1.878 -7.316 149 HE ARG 23 HE ARG 23 -11.353 2.217 -5.317 150 HH11 ARG 23 1HH1 ARG 23 -11.681 1.927 -8.771 151 HH12 ARG 23 2HH1 ARG 23 -10.263 2.863 -9.116 152 HH21 ARG 23 1HH2 ARG 23 -9.484 3.450 -5.758 153 HH22 ARG 23 2HH2 ARG 23 -9.014 3.727 -7.401 154 H CYS 24 H CYS 24 -11.748 -2.792 -6.187 155 HA CYS 24 HA CYS 24 -11.174 -2.517 -3.340 156 HB2 CYS 24 1HB CYS 24 -10.800 -4.875 -3.003 157 HB3 CYS 24 2HB CYS 24 -12.429 -4.654 -3.629 158 HG CYS 24 HG CYS 24 -11.720 -5.395 -6.258 159 H SER 25 H SER 25 -9.040 -2.340 -2.893 160 HA SER 25 HA SER 25 -7.232 -2.226 -5.171 161 HB2 SER 25 1HB SER 25 -6.747 -1.461 -2.282 162 HB3 SER 25 2HB SER 25 -5.689 -1.102 -3.645 163 HG SER 25 HG SER 25 -6.854 0.701 -3.494 164 H GLN 26 H GLN 26 -5.237 -3.318 -5.257 165 HA GLN 26 HA GLN 26 -5.102 -5.717 -3.552 166 HB2 GLN 26 1HB GLN 26 -5.610 -6.345 -5.824 167 HB3 GLN 26 2HB GLN 26 -4.293 -5.357 -6.439 168 HG2 GLN 26 1HG GLN 26 -2.659 -6.819 -5.577 169 HG3 GLN 26 2HG GLN 26 -3.842 -7.674 -4.587 170 HE21 GLN 26 1HE2 GLN 26 -4.219 -9.622 -5.332 171 HE22 GLN 26 2HE2 GLN 26 -4.316 -10.082 -6.995 172 H VAL 27 H VAL 27 -3.402 -5.830 -2.254 173 HA VAL 27 HA VAL 27 -0.915 -4.469 -3.052 174 HB VAL 27 HB VAL 27 -1.912 -4.580 -0.208 175 HG11 VAL 27 1HG1 VAL 27 0.376 -4.280 -0.103 176 HG12 VAL 27 2HG1 VAL 27 0.427 -3.342 -1.598 177 HG13 VAL 27 3HG1 VAL 27 -0.209 -2.616 -0.121 178 HG21 VAL 27 1HG2 VAL 27 -3.207 -3.152 -2.041 179 HG22 VAL 27 2HG2 VAL 27 -2.949 -2.564 -0.399 180 HG23 VAL 27 3HG2 VAL 27 -1.895 -2.022 -1.705 181 H LYS 28 H LYS 28 1.027 -5.357 -2.157 182 HA LYS 28 HA LYS 28 0.780 -8.228 -1.615 183 HB2 LYS 28 1HB LYS 28 3.120 -6.555 -2.540 184 HB3 LYS 28 2HB LYS 28 3.230 -8.270 -2.163 185 HG2 LYS 28 1HG LYS 28 2.997 -7.703 -4.594 186 HG3 LYS 28 2HG LYS 28 1.815 -8.853 -3.966 187 HD2 LYS 28 1HD LYS 28 0.111 -7.207 -3.909 188 HD3 LYS 28 2HD LYS 28 1.267 -5.900 -4.170 189 HE2 LYS 28 1HE LYS 28 0.697 -8.085 -6.168 190 HE3 LYS 28 2HE LYS 28 -0.085 -6.504 -6.181 191 HZ1 LYS 28 1HZ LYS 28 2.254 -5.573 -6.270 192 HZ2 LYS 28 2HZ LYS 28 1.686 -6.328 -7.672 193 HZ3 LYS 28 3HZ LYS 28 2.765 -7.140 -6.652 194 H LEU 29 H LEU 29 1.219 -9.045 0.328 195 HA LEU 29 HA LEU 29 1.889 -7.327 2.508 196 HB2 LEU 29 1HB LEU 29 0.439 -9.479 2.462 197 HB3 LEU 29 2HB LEU 29 1.979 -10.315 2.654 198 HG LEU 29 HG LEU 29 2.317 -8.876 4.730 199 HD11 LEU 29 1HD1 LEU 29 0.777 -7.404 5.351 200 HD12 LEU 29 2HD1 LEU 29 -0.509 -8.603 5.212 201 HD13 LEU 29 3HD1 LEU 29 -0.018 -7.667 3.799 202 HD21 LEU 29 1HD2 LEU 29 0.373 -11.106 4.396 203 HD22 LEU 29 2HD2 LEU 29 0.508 -10.325 5.973 204 HD23 LEU 29 3HD2 LEU 29 1.924 -11.074 5.235 205 H GLY 30 H GLY 30 3.740 -7.339 3.805 206 HA2 GLY 30 1HA GLY 30 5.989 -7.458 4.247 207 HA3 GLY 30 2HA GLY 30 5.967 -9.016 3.434 208 H SER 31 H SER 31 4.874 -6.336 1.600 209 HA SER 31 HA SER 31 7.510 -5.910 0.403 210 HB2 SER 31 1HB SER 31 5.091 -7.003 -1.009 211 HB3 SER 31 2HB SER 31 6.285 -6.052 -1.891 212 HG SER 31 HG SER 31 7.771 -7.683 -0.672 213 H ALA 32 H ALA 32 7.851 -3.802 0.315 214 HA ALA 32 HA ALA 32 6.037 -1.814 0.911 215 HB1 ALA 32 1HB ALA 32 8.493 -1.538 0.883 216 HB2 ALA 32 2HB ALA 32 8.443 -1.507 -0.880 217 HB3 ALA 32 3HB ALA 32 7.645 -0.236 0.046 218 H ALA 33 H ALA 33 4.365 -0.949 -0.119 219 HA ALA 33 HA ALA 33 4.285 -1.087 -3.059 220 HB1 ALA 33 1HB ALA 33 2.797 -2.769 -1.776 221 HB2 ALA 33 2HB ALA 33 1.784 -1.364 -1.441 222 HB3 ALA 33 3HB ALA 33 2.097 -1.847 -3.107 223 H ASP 34 H ASP 34 3.056 0.567 -4.096 224 HA ASP 34 HA ASP 34 2.956 3.035 -2.518 225 HB2 ASP 34 1HB ASP 34 2.610 2.974 -5.491 226 HB3 ASP 34 2HB ASP 34 3.325 4.223 -4.476 227 H PHE 35 H PHE 35 1.164 4.466 -2.676 228 HA PHE 35 HA PHE 35 -1.324 3.260 -3.668 229 HB2 PHE 35 1HB PHE 35 -1.089 4.698 -1.019 230 HB3 PHE 35 2HB PHE 35 -2.521 3.909 -1.673 231 HD1 PHE 35 1HD PHE 35 0.900 3.286 -0.407 232 HD2 PHE 35 2HD PHE 35 -2.915 1.628 -1.309 233 HE1 PHE 35 1HE PHE 35 1.545 1.197 0.721 234 HE2 PHE 35 2HE PHE 35 -2.276 -0.464 -0.182 235 HZ PHE 35 HZ PHE 35 -0.044 -0.681 0.836 236 H LEU 36 H LEU 36 -2.376 4.581 -4.990 237 HA LEU 36 HA LEU 36 -1.602 7.387 -5.113 238 HB2 LEU 36 1HB LEU 36 -1.851 5.779 -7.114 239 HB3 LEU 36 2HB LEU 36 -3.582 6.048 -6.921 240 HG LEU 36 HG LEU 36 -2.870 8.579 -7.076 241 HD11 LEU 36 1HD1 LEU 36 -0.980 8.186 -9.071 242 HD12 LEU 36 2HD1 LEU 36 -0.442 7.164 -7.738 243 HD13 LEU 36 3HD1 LEU 36 -0.708 8.887 -7.476 244 HD21 LEU 36 1HD2 LEU 36 -3.046 6.709 -9.436 245 HD22 LEU 36 2HD2 LEU 36 -3.230 8.461 -9.513 246 HD23 LEU 36 3HD2 LEU 36 -4.392 7.490 -8.607 247 H LEU 37 H LEU 37 -2.648 8.700 -3.765 248 HA LEU 37 HA LEU 37 -5.568 8.387 -3.510 249 HB2 LEU 37 1HB LEU 37 -5.494 9.011 -1.274 250 HB3 LEU 37 2HB LEU 37 -4.113 7.932 -1.457 251 HG LEU 37 HG LEU 37 -3.979 10.947 -1.380 252 HD11 LEU 37 1HD1 LEU 37 -4.595 10.046 0.782 253 HD12 LEU 37 2HD1 LEU 37 -2.923 10.605 0.813 254 HD13 LEU 37 3HD1 LEU 37 -3.274 8.881 0.700 255 HD21 LEU 37 1HD2 LEU 37 -2.165 10.206 -2.676 256 HD22 LEU 37 2HD2 LEU 37 -1.896 8.799 -1.649 257 HD23 LEU 37 3HD2 LEU 37 -1.512 10.414 -1.050 258 H ASP 38 H ASP 38 -6.823 10.137 -3.879 259 HA ASP 38 HA ASP 38 -5.579 12.445 -5.082 260 HB2 ASP 38 1HB ASP 38 -7.594 11.554 -6.096 261 HB3 ASP 38 2HB ASP 38 -8.483 11.755 -4.588 262 H ILE 39 H ILE 39 -4.560 13.658 -3.549 263 HA ILE 39 HA ILE 39 -6.280 14.816 -1.455 264 HB ILE 39 HB ILE 39 -4.106 15.105 -0.140 265 HG12 ILE 39 1HG1 ILE 39 -3.172 12.767 -1.792 266 HG13 ILE 39 2HG1 ILE 39 -2.735 14.420 -2.214 267 HG21 ILE 39 1HG2 ILE 39 -4.264 12.827 0.798 268 HG22 ILE 39 2HG2 ILE 39 -5.841 13.577 0.556 269 HG23 ILE 39 3HG2 ILE 39 -5.262 12.356 -0.576 270 HD11 ILE 39 1HD1 ILE 39 -2.248 13.583 0.576 271 HD12 ILE 39 2HD1 ILE 39 -1.223 12.874 -0.674 272 HD13 ILE 39 3HD1 ILE 39 -1.300 14.626 -0.484 273 H SER 40 H SER 40 -6.396 16.971 -1.422 274 HA SER 40 HA SER 40 -4.949 18.487 -3.403 275 HB2 SER 40 1HB SER 40 -7.025 19.262 -1.346 276 HB3 SER 40 2HB SER 40 -6.293 20.412 -2.464 277 HG SER 40 HG SER 40 -8.382 19.246 -3.032 278 H GLU 41 H GLU 41 -3.142 17.423 -1.641 279 HA GLU 41 HA GLU 41 -2.100 19.846 -0.360 280 HB2 GLU 41 1HB GLU 41 -2.304 17.121 0.926 281 HB3 GLU 41 2HB GLU 41 -1.289 18.415 1.547 282 HG2 GLU 41 1HG GLU 41 -3.333 18.369 2.783 283 HG3 GLU 41 2HG GLU 41 -3.300 19.826 1.791 284 H THR 42 H THR 42 -0.229 20.274 -1.305 285 HA THR 42 HA THR 42 1.319 18.156 -2.551 286 HB THR 42 HB THR 42 1.815 21.139 -2.486 287 HG1 THR 42 1HG THR 42 0.700 19.453 -4.500 288 HG21 THR 42 1HG2 THR 42 2.987 19.473 -4.612 289 HG22 THR 42 2HG2 THR 42 3.670 19.230 -3.005 290 HG23 THR 42 3HG2 THR 42 3.674 20.837 -3.731 291 H ASP 43 H ASP 43 2.162 20.891 -0.416 292 HA ASP 43 HA ASP 43 4.657 20.248 0.354 293 HB2 ASP 43 1HB ASP 43 2.487 21.126 2.273 294 HB3 ASP 43 2HB ASP 43 4.222 21.319 2.510 295 H LEU 44 H LEU 44 5.372 18.222 0.658 296 HA LEU 44 HA LEU 44 3.880 16.171 1.926 297 HB2 LEU 44 1HB LEU 44 6.665 16.494 0.943 298 HB3 LEU 44 2HB LEU 44 6.334 15.178 2.068 299 HG LEU 44 HG LEU 44 4.395 14.686 0.315 300 HD11 LEU 44 1HD1 LEU 44 6.274 15.272 -1.783 301 HD12 LEU 44 2HD1 LEU 44 5.783 16.747 -0.956 302 HD13 LEU 44 3HD1 LEU 44 4.564 15.685 -1.658 303 HD21 LEU 44 1HD2 LEU 44 5.623 12.869 -0.279 304 HD22 LEU 44 2HD2 LEU 44 6.615 13.425 1.070 305 HD23 LEU 44 3HD2 LEU 44 7.080 13.814 -0.587 306 H SER 45 H SER 45 6.826 17.883 2.990 307 HA SER 45 HA SER 45 7.032 16.846 5.530 308 HB2 SER 45 1HB SER 45 7.703 19.599 4.489 309 HB3 SER 45 2HB SER 45 8.110 19.076 6.123 310 HG SER 45 HG SER 45 8.844 17.461 3.953 311 H SER 46 H SER 46 5.047 19.561 4.435 312 HA SER 46 HA SER 46 4.129 20.444 6.915 313 HB2 SER 46 1HB SER 46 3.104 20.608 4.116 314 HB3 SER 46 2HB SER 46 2.011 21.049 5.427 315 HG SER 46 HG SER 46 3.000 22.898 5.337 316 H LEU 47 H LEU 47 3.210 17.687 5.003 317 HA LEU 47 HA LEU 47 0.891 17.144 6.689 318 HB2 LEU 47 1HB LEU 47 1.989 15.683 4.292 319 HB3 LEU 47 2HB LEU 47 0.515 15.247 5.155 320 HG LEU 47 HG LEU 47 0.968 17.810 3.627 321 HD11 LEU 47 1HD1 LEU 47 -1.100 16.530 2.429 322 HD12 LEU 47 2HD1 LEU 47 -0.073 15.170 2.884 323 HD13 LEU 47 3HD1 LEU 47 0.574 16.464 1.876 324 HD21 LEU 47 1HD2 LEU 47 -1.124 16.893 5.491 325 HD22 LEU 47 2HD2 LEU 47 -1.693 17.633 3.994 326 HD23 LEU 47 3HD2 LEU 47 -0.615 18.527 5.065 327 H THR 48 H THR 48 0.650 14.708 7.261 328 HA THR 48 HA THR 48 3.206 13.740 8.363 329 HB THR 48 HB THR 48 0.577 13.285 9.751 330 HG1 THR 48 1HG THR 48 0.897 15.553 9.600 331 HG21 THR 48 1HG2 THR 48 3.329 12.574 10.201 332 HG22 THR 48 2HG2 THR 48 1.887 12.063 11.079 333 HG23 THR 48 3HG2 THR 48 2.723 13.545 11.541 334 H ALA 49 H ALA 49 3.383 11.450 8.655 335 HA ALA 49 HA ALA 49 1.480 9.883 7.043 336 HB1 ALA 49 1HB ALA 49 4.443 9.366 7.135 337 HB2 ALA 49 2HB ALA 49 3.247 8.625 6.072 338 HB3 ALA 49 3HB ALA 49 3.661 10.328 5.881 339 H SER 50 H SER 50 0.515 8.365 8.207 340 HA SER 50 HA SER 50 2.027 6.784 10.113 341 HB2 SER 50 1HB SER 50 -0.115 8.715 10.907 342 HB3 SER 50 2HB SER 50 0.013 7.186 11.776 343 HG SER 50 HG SER 50 2.062 7.720 12.407 344 H ILE 51 H ILE 51 1.266 4.737 10.300 345 HA ILE 51 HA ILE 51 -1.406 4.117 9.279 346 HB ILE 51 HB ILE 51 1.094 2.703 8.341 347 HG12 ILE 51 1HG1 ILE 51 -0.892 4.396 6.807 348 HG13 ILE 51 2HG1 ILE 51 0.723 4.911 7.283 349 HG21 ILE 51 1HG2 ILE 51 -0.857 1.765 6.758 350 HG22 ILE 51 2HG2 ILE 51 -0.360 0.976 8.253 351 HG23 ILE 51 3HG2 ILE 51 -1.777 2.025 8.240 352 HD11 ILE 51 1HD1 ILE 51 1.204 4.255 5.184 353 HD12 ILE 51 2HD1 ILE 51 1.350 2.677 5.959 354 HD13 ILE 51 3HD1 ILE 51 -0.136 3.110 5.115 355 H LYS 52 H LYS 52 -2.373 2.356 10.218 356 HA LYS 52 HA LYS 52 -0.803 0.728 12.076 357 HB2 LYS 52 1HB LYS 52 -1.668 2.430 13.517 358 HB3 LYS 52 2HB LYS 52 -3.266 2.318 12.791 359 HG2 LYS 52 1HG LYS 52 -3.646 1.132 14.685 360 HG3 LYS 52 2HG LYS 52 -3.075 -0.180 13.651 361 HD2 LYS 52 1HD LYS 52 -1.742 -0.551 15.459 362 HD3 LYS 52 2HD LYS 52 -0.724 0.614 14.608 363 HE2 LYS 52 1HE LYS 52 -2.028 2.382 15.979 364 HE3 LYS 52 2HE LYS 52 -2.465 1.021 17.011 365 HZ1 LYS 52 1HZ LYS 52 -0.160 2.501 17.144 366 HZ2 LYS 52 2HZ LYS 52 0.323 1.042 16.440 367 HZ3 LYS 52 3HZ LYS 52 -0.464 1.038 17.937 368 H ALA 53 H ALA 53 -1.347 -1.369 12.030 369 HA ALA 53 HA ALA 53 -3.296 -2.279 10.149 370 HB1 ALA 53 1HB ALA 53 -2.450 -4.386 11.880 371 HB2 ALA 53 2HB ALA 53 -2.027 -4.098 10.192 372 HB3 ALA 53 3HB ALA 53 -1.062 -3.376 11.478 373 HA PRO 54 HA PRO 54 -6.853 -3.002 12.616 374 HB2 PRO 54 1HB PRO 54 -7.594 -5.539 11.996 375 HB3 PRO 54 2HB PRO 54 -7.760 -4.186 10.869 376 HG2 PRO 54 1HG PRO 54 -5.627 -6.282 11.011 377 HG3 PRO 54 2HG PRO 54 -6.456 -5.623 9.589 378 HD2 PRO 54 1HD PRO 54 -3.978 -4.824 10.333 379 HD3 PRO 54 2HD PRO 54 -5.133 -3.736 9.537 380 H SER 55 H SER 55 -4.103 -4.990 13.089 381 HA SER 55 HA SER 55 -5.224 -6.219 15.498 382 HB2 SER 55 1HB SER 55 -2.705 -6.729 13.916 383 HB3 SER 55 2HB SER 55 -2.986 -7.451 15.502 384 HG SER 55 HG SER 55 -4.807 -8.474 14.673 385 H GLY 56 H GLY 56 -4.112 -3.333 14.918 386 HA2 GLY 56 1HA GLY 56 -3.302 -1.706 16.343 387 HA3 GLY 56 2HA GLY 56 -3.126 -2.938 17.583 388 H ARG 57 H ARG 57 -1.660 -3.395 14.471 389 HA ARG 57 HA ARG 57 0.977 -3.066 15.728 390 HB2 ARG 57 1HB ARG 57 0.288 -4.577 13.202 391 HB3 ARG 57 2HB ARG 57 1.831 -4.581 14.045 392 HG2 ARG 57 1HG ARG 57 -0.600 -5.459 15.516 393 HG3 ARG 57 2HG ARG 57 0.120 -6.546 14.327 394 HD2 ARG 57 1HD ARG 57 2.164 -6.632 15.493 395 HD3 ARG 57 2HD ARG 57 1.746 -5.236 16.486 396 HE ARG 57 HE ARG 57 -0.134 -7.233 16.983 397 HH11 ARG 57 1HH1 ARG 57 3.271 -6.660 17.429 398 HH12 ARG 57 2HH1 ARG 57 3.388 -7.660 18.838 399 HH21 ARG 57 1HH2 ARG 57 0.007 -8.554 18.839 400 HH22 ARG 57 2HH2 ARG 57 1.531 -8.738 19.639 401 H ASP 58 H ASP 58 1.808 -1.120 15.328 402 HA ASP 58 HA ASP 58 1.098 0.529 13.154 403 HB2 ASP 58 1HB ASP 58 1.938 1.722 14.958 404 HB3 ASP 58 2HB ASP 58 3.257 0.587 15.227 405 H GLU 59 H GLU 59 2.193 1.064 11.267 406 HA GLU 59 HA GLU 59 4.380 -0.749 10.491 407 HB2 GLU 59 1HB GLU 59 2.212 0.216 8.625 408 HB3 GLU 59 2HB GLU 59 3.462 -0.971 8.284 409 HG2 GLU 59 1HG GLU 59 1.234 -1.314 10.279 410 HG3 GLU 59 2HG GLU 59 1.271 -1.997 8.653 411 HA PRO 60 HA PRO 60 6.597 2.905 9.442 412 HB2 PRO 60 1HB PRO 60 8.373 1.844 7.683 413 HB3 PRO 60 2HB PRO 60 8.474 1.581 9.428 414 HG2 PRO 60 1HG PRO 60 7.356 -0.209 7.304 415 HG3 PRO 60 2HG PRO 60 8.382 -0.622 8.690 416 HD2 PRO 60 1HD PRO 60 5.705 -1.024 8.689 417 HD3 PRO 60 2HD PRO 60 6.610 -0.623 10.163 418 H CYS 61 H CYS 61 5.517 4.386 8.270 419 HA CYS 61 HA CYS 61 5.014 3.810 5.427 420 HB2 CYS 61 1HB CYS 61 3.276 5.609 5.585 421 HB3 CYS 61 2HB CYS 61 2.940 4.192 6.572 422 HG CYS 61 HG CYS 61 4.578 6.674 8.142 423 H LEU 62 H LEU 62 5.394 5.469 3.890 424 HA LEU 62 HA LEU 62 6.906 7.801 4.777 425 HB2 LEU 62 1HB LEU 62 8.483 5.881 4.300 426 HB3 LEU 62 2HB LEU 62 7.974 6.000 2.617 427 HG LEU 62 HG LEU 62 10.176 7.138 3.376 428 HD11 LEU 62 1HD1 LEU 62 9.951 7.876 1.299 429 HD12 LEU 62 2HD1 LEU 62 9.025 9.241 1.921 430 HD13 LEU 62 3HD1 LEU 62 8.193 7.774 1.406 431 HD21 LEU 62 1HD2 LEU 62 9.057 8.289 5.304 432 HD22 LEU 62 2HD2 LEU 62 8.227 9.309 4.128 433 HD23 LEU 62 3HD2 LEU 62 9.988 9.347 4.243 434 H LEU 63 H LEU 63 6.336 9.561 3.672 435 HA LEU 63 HA LEU 63 4.637 9.230 1.319 436 HB2 LEU 63 1HB LEU 63 5.128 11.442 3.265 437 HB3 LEU 63 2HB LEU 63 4.436 11.804 1.685 438 HG LEU 63 HG LEU 63 3.203 9.805 3.565 439 HD11 LEU 63 1HD1 LEU 63 3.481 12.212 4.477 440 HD12 LEU 63 2HD1 LEU 63 1.901 11.433 4.565 441 HD13 LEU 63 3HD1 LEU 63 2.229 12.619 3.302 442 HD21 LEU 63 1HD2 LEU 63 2.601 10.886 0.925 443 HD22 LEU 63 2HD2 LEU 63 1.247 10.997 2.051 444 HD23 LEU 63 3HD2 LEU 63 1.995 9.434 1.722 445 H LYS 64 H LYS 64 5.174 9.900 -0.688 446 HA LYS 64 HA LYS 64 7.556 11.542 -1.076 447 HB2 LYS 64 1HB LYS 64 8.500 10.002 -2.726 448 HB3 LYS 64 2HB LYS 64 8.384 9.238 -1.146 449 HG2 LYS 64 1HG LYS 64 6.198 8.235 -1.960 450 HG3 LYS 64 2HG LYS 64 6.682 8.768 -3.571 451 HD2 LYS 64 1HD LYS 64 8.933 7.529 -2.859 452 HD3 LYS 64 2HD LYS 64 7.799 6.620 -1.857 453 HE2 LYS 64 1HE LYS 64 6.485 6.053 -3.813 454 HE3 LYS 64 2HE LYS 64 7.532 7.039 -4.833 455 HZ1 LYS 64 1HZ LYS 64 8.909 5.339 -5.063 456 HZ2 LYS 64 2HZ LYS 64 7.838 4.360 -4.194 457 HZ3 LYS 64 3HZ LYS 64 9.082 5.175 -3.389 458 H ARG 65 H ARG 65 7.802 12.156 -3.423 459 HA ARG 65 HA ARG 65 5.172 12.863 -4.457 460 HB2 ARG 65 1HB ARG 65 7.351 14.378 -4.189 461 HB3 ARG 65 2HB ARG 65 7.675 13.754 -5.801 462 HG2 ARG 65 1HG ARG 65 5.143 15.167 -4.990 463 HG3 ARG 65 2HG ARG 65 6.512 15.931 -5.800 464 HD2 ARG 65 1HD ARG 65 6.136 13.914 -7.489 465 HD3 ARG 65 2HD ARG 65 4.496 14.023 -6.851 466 HE ARG 65 HE ARG 65 5.752 15.833 -8.657 467 HH11 ARG 65 1HH1 ARG 65 3.435 15.624 -6.067 468 HH12 ARG 65 2HH1 ARG 65 2.543 17.019 -6.577 469 HH21 ARG 65 1HH2 ARG 65 4.586 17.671 -9.339 470 HH22 ARG 65 2HH2 ARG 65 3.197 18.182 -8.439 471 H LEU 66 H LEU 66 4.231 11.563 -5.876 472 HA LEU 66 HA LEU 66 5.621 9.535 -7.301 473 HB2 LEU 66 1HB LEU 66 2.847 10.608 -7.788 474 HB3 LEU 66 2HB LEU 66 3.489 9.066 -8.353 475 HG LEU 66 HG LEU 66 3.262 9.693 -5.424 476 HD11 LEU 66 1HD1 LEU 66 1.057 9.995 -6.592 477 HD12 LEU 66 2HD1 LEU 66 1.092 8.744 -5.350 478 HD13 LEU 66 3HD1 LEU 66 1.154 8.296 -7.054 479 HD21 LEU 66 1HD2 LEU 66 4.022 7.416 -7.076 480 HD22 LEU 66 2HD2 LEU 66 2.808 7.019 -5.861 481 HD23 LEU 66 3HD2 LEU 66 4.343 7.739 -5.373 482 HA PRO 67 HA PRO 67 6.885 11.623 -10.953 483 HB2 PRO 67 1HB PRO 67 6.712 9.609 -12.764 484 HB3 PRO 67 2HB PRO 67 7.974 9.683 -11.529 485 HG2 PRO 67 1HG PRO 67 5.430 8.105 -11.545 486 HG3 PRO 67 2HG PRO 67 7.055 7.603 -11.045 487 HD2 PRO 67 1HD PRO 67 5.140 8.318 -9.269 488 HD3 PRO 67 2HD PRO 67 6.867 8.609 -8.980 489 H ASN 68 H ASN 68 3.922 9.689 -11.190 490 HA ASN 68 HA ASN 68 2.984 11.018 -13.543 491 HB2 ASN 68 1HB ASN 68 1.523 9.275 -11.547 492 HB3 ASN 68 2HB ASN 68 0.866 9.809 -13.092 493 HD21 ASN 68 1HD2 ASN 68 1.649 8.923 -14.992 494 HD22 ASN 68 2HD2 ASN 68 2.597 7.479 -15.015 495 H ASN 69 H ASN 69 3.563 13.132 -12.219 496 HA ASN 69 HA ASN 69 2.867 14.929 -10.932 497 HB2 ASN 69 1HB ASN 69 0.551 14.479 -12.827 498 HB3 ASN 69 2HB ASN 69 0.876 15.983 -11.969 499 HD21 ASN 69 1HD2 ASN 69 1.986 17.450 -13.027 500 HD22 ASN 69 2HD2 ASN 69 3.032 17.162 -14.372 501 H HIS 70 H HIS 70 2.456 12.762 -9.360 502 HA HIS 70 HA HIS 70 0.060 13.547 -7.900 503 HB2 HIS 70 1HB HIS 70 0.598 10.703 -8.777 504 HB3 HIS 70 2HB HIS 70 -0.607 11.161 -7.578 505 HD1 HIS 70 1HD HIS 70 -1.799 13.618 -9.058 506 HD2 HIS 70 2HD HIS 70 -1.053 9.925 -10.810 507 HE1 HIS 70 1HE HIS 70 -3.329 13.498 -11.050 508 HE2 HIS 70 2HE HIS 70 -2.922 11.220 -12.044 509 H ILE 71 H ILE 71 -0.006 12.030 -5.806 510 HA ILE 71 HA ILE 71 2.680 11.499 -4.810 511 HB ILE 71 HB ILE 71 0.822 13.417 -3.398 512 HG12 ILE 71 1HG1 ILE 71 3.461 13.877 -4.803 513 HG13 ILE 71 2HG1 ILE 71 1.888 14.474 -5.318 514 HG21 ILE 71 1HG2 ILE 71 2.833 11.735 -2.382 515 HG22 ILE 71 2HG2 ILE 71 3.498 13.368 -2.387 516 HG23 ILE 71 3HG2 ILE 71 1.984 13.035 -1.546 517 HD11 ILE 71 1HD1 ILE 71 1.874 16.147 -3.797 518 HD12 ILE 71 2HD1 ILE 71 2.796 15.226 -2.607 519 HD13 ILE 71 3HD1 ILE 71 3.620 15.967 -3.980 520 H GLY 72 H GLY 72 2.699 9.709 -3.610 521 HA2 GLY 72 1HA GLY 72 0.201 8.905 -2.261 522 HA3 GLY 72 2HA GLY 72 1.113 7.756 -3.228 523 H ILE 73 H ILE 73 1.073 6.538 -1.171 524 HA ILE 73 HA ILE 73 3.261 7.415 0.601 525 HB ILE 73 HB ILE 73 0.936 7.342 1.632 526 HG12 ILE 73 1HG1 ILE 73 2.691 5.413 3.083 527 HG13 ILE 73 2HG1 ILE 73 3.327 7.018 2.741 528 HG21 ILE 73 1HG2 ILE 73 1.358 4.367 1.657 529 HG22 ILE 73 2HG2 ILE 73 -0.073 5.278 2.138 530 HG23 ILE 73 3HG2 ILE 73 0.374 5.173 0.435 531 HD11 ILE 73 1HD1 ILE 73 0.747 7.393 3.779 532 HD12 ILE 73 2HD1 ILE 73 1.535 6.188 4.797 533 HD13 ILE 73 3HD1 ILE 73 2.293 7.760 4.543 534 H SER 74 H SER 74 4.544 5.710 1.558 535 HA SER 74 HA SER 74 4.471 3.166 0.087 536 HB2 SER 74 1HB SER 74 6.194 4.595 -0.940 537 HB3 SER 74 2HB SER 74 6.963 4.798 0.633 538 HG SER 74 HG SER 74 7.052 2.380 0.585 539 H PHE 75 H PHE 75 4.043 1.687 1.586 540 HA PHE 75 HA PHE 75 5.767 1.523 3.929 541 HB2 PHE 75 1HB PHE 75 4.071 1.525 5.536 542 HB3 PHE 75 2HB PHE 75 3.581 2.817 4.446 543 HD1 PHE 75 2HD PHE 75 2.855 -0.568 5.620 544 HD2 PHE 75 1HD PHE 75 1.644 2.585 3.029 545 HE1 PHE 75 2HE PHE 75 0.677 -1.667 5.307 546 HE2 PHE 75 1HE PHE 75 -0.537 1.491 2.713 547 HZ PHE 75 HZ PHE 75 -1.022 -0.639 3.851 548 H ILE 76 H ILE 76 5.607 -0.568 5.026 549 HA ILE 76 HA ILE 76 4.882 -2.687 3.119 550 HB ILE 76 HB ILE 76 6.787 -2.812 5.460 551 HG12 ILE 76 1HG1 ILE 76 7.478 -2.948 2.529 552 HG13 ILE 76 2HG1 ILE 76 7.451 -1.426 3.412 553 HG21 ILE 76 1HG2 ILE 76 5.444 -4.903 4.514 554 HG22 ILE 76 2HG2 ILE 76 6.750 -4.871 3.331 555 HG23 ILE 76 3HG2 ILE 76 7.120 -5.022 5.049 556 HD11 ILE 76 1HD1 ILE 76 9.660 -2.821 3.115 557 HD12 ILE 76 2HD1 ILE 76 9.326 -1.926 4.599 558 HD13 ILE 76 3HD1 ILE 76 9.041 -3.666 4.533 559 HA PRO 77 HA PRO 77 1.574 -3.411 6.102 560 HB2 PRO 77 1HB PRO 77 0.178 -5.074 4.474 561 HB3 PRO 77 2HB PRO 77 0.110 -3.313 4.335 562 HG2 PRO 77 1HG PRO 77 1.704 -5.279 2.736 563 HG3 PRO 77 2HG PRO 77 0.791 -3.863 2.180 564 HD2 PRO 77 1HD PRO 77 3.480 -3.831 2.498 565 HD3 PRO 77 2HD PRO 77 2.469 -2.396 2.763 566 H ARG 78 H ARG 78 1.734 -4.848 7.695 567 HA ARG 78 HA ARG 78 3.082 -7.396 7.186 568 HB2 ARG 78 1HB ARG 78 2.362 -6.050 9.797 569 HB3 ARG 78 2HB ARG 78 3.267 -7.550 9.639 570 HG2 ARG 78 1HG ARG 78 4.208 -4.990 8.390 571 HG3 ARG 78 2HG ARG 78 4.590 -5.421 10.059 572 HD2 ARG 78 1HD ARG 78 5.184 -7.191 7.695 573 HD3 ARG 78 2HD ARG 78 6.337 -6.040 8.369 574 HE ARG 78 HE ARG 78 5.466 -7.624 10.468 575 HH11 ARG 78 1HH1 ARG 78 7.179 -8.031 7.465 576 HH12 ARG 78 2HH1 ARG 78 8.101 -9.388 8.023 577 HH21 ARG 78 1HH2 ARG 78 6.673 -9.410 11.214 578 HH22 ARG 78 2HH2 ARG 78 7.811 -10.172 10.156 579 H GLU 79 H GLU 79 -0.003 -6.212 7.295 580 HA GLU 79 HA GLU 79 -1.091 -8.885 7.727 581 HB2 GLU 79 1HB GLU 79 -1.652 -6.505 9.421 582 HB3 GLU 79 2HB GLU 79 -3.009 -7.549 9.017 583 HG2 GLU 79 1HG GLU 79 -2.039 -9.402 10.087 584 HG3 GLU 79 2HG GLU 79 -0.465 -8.617 10.191 585 H VAL 80 H VAL 80 -3.433 -8.981 7.090 586 HA VAL 80 HA VAL 80 -3.920 -7.151 4.831 587 HB VAL 80 HB VAL 80 -5.249 -8.974 3.818 588 HG11 VAL 80 1HG1 VAL 80 -3.440 -9.964 2.832 589 HG12 VAL 80 2HG1 VAL 80 -2.644 -8.596 3.614 590 HG13 VAL 80 3HG1 VAL 80 -2.593 -10.193 4.361 591 HG21 VAL 80 1HG2 VAL 80 -5.835 -10.148 5.889 592 HG22 VAL 80 2HG2 VAL 80 -5.105 -11.236 4.708 593 HG23 VAL 80 3HG2 VAL 80 -4.154 -10.652 6.073 594 H GLY 81 H GLY 81 -5.871 -6.153 4.642 595 HA2 GLY 81 1HA GLY 81 -8.342 -6.694 5.424 596 HA3 GLY 81 2HA GLY 81 -7.619 -6.296 6.975 597 H GLU 82 H GLU 82 -8.489 -4.383 7.501 598 HA GLU 82 HA GLU 82 -8.485 -2.255 5.470 599 HB2 GLU 82 1HB GLU 82 -10.684 -2.807 6.447 600 HB3 GLU 82 2HB GLU 82 -10.058 -2.424 8.045 601 HG2 GLU 82 1HG GLU 82 -9.866 -0.137 7.539 602 HG3 GLU 82 2HG GLU 82 -10.076 -0.422 5.812 603 H HIS 83 H HIS 83 -6.617 -1.168 5.617 604 HA HIS 83 HA HIS 83 -5.496 -0.576 8.253 605 HB2 HIS 83 1HB HIS 83 -4.421 -0.643 5.473 606 HB3 HIS 83 2HB HIS 83 -3.660 0.454 6.621 607 HD1 HIS 83 1HD HIS 83 -4.597 -3.232 6.446 608 HD2 HIS 83 2HD HIS 83 -1.714 -0.726 8.080 609 HE1 HIS 83 1HE HIS 83 -2.924 -4.757 7.543 610 HE2 HIS 83 2HE HIS 83 -1.235 -3.216 8.598 611 H LEU 84 H LEU 84 -5.526 1.399 9.145 612 HA LEU 84 HA LEU 84 -6.780 3.561 7.604 613 HB2 LEU 84 1HB LEU 84 -6.608 2.935 10.524 614 HB3 LEU 84 2HB LEU 84 -6.938 4.581 9.986 615 HG LEU 84 HG LEU 84 -8.625 2.174 9.305 616 HD11 LEU 84 1HD1 LEU 84 -10.201 2.974 10.921 617 HD12 LEU 84 2HD1 LEU 84 -9.201 4.382 11.272 618 HD13 LEU 84 3HD1 LEU 84 -8.642 2.771 11.719 619 HD21 LEU 84 1HD2 LEU 84 -10.111 4.483 9.008 620 HD22 LEU 84 2HD2 LEU 84 -9.409 3.517 7.709 621 HD23 LEU 84 3HD2 LEU 84 -8.534 4.912 8.343 622 H VAL 85 H VAL 85 -5.493 5.080 6.821 623 HA VAL 85 HA VAL 85 -2.849 5.482 8.020 624 HB VAL 85 HB VAL 85 -3.901 6.572 5.407 625 HG11 VAL 85 1HG1 VAL 85 -1.052 6.244 5.585 626 HG12 VAL 85 2HG1 VAL 85 -1.992 7.699 5.250 627 HG13 VAL 85 3HG1 VAL 85 -1.637 7.242 6.916 628 HG21 VAL 85 1HG2 VAL 85 -3.818 4.402 4.794 629 HG22 VAL 85 2HG2 VAL 85 -2.085 4.711 4.690 630 HG23 VAL 85 3HG2 VAL 85 -2.762 3.952 6.131 631 H SER 86 H SER 86 -2.610 7.080 9.423 632 HA SER 86 HA SER 86 -4.548 9.230 9.562 633 HB2 SER 86 1HB SER 86 -2.076 8.886 11.265 634 HB3 SER 86 2HB SER 86 -3.527 9.813 11.645 635 HG SER 86 HG SER 86 -3.039 7.315 12.259 636 H ILE 87 H ILE 87 -4.327 10.880 8.204 637 HA ILE 87 HA ILE 87 -1.619 11.946 7.734 638 HB ILE 87 HB ILE 87 -3.933 12.255 5.831 639 HG12 ILE 87 1HG1 ILE 87 -3.443 9.873 6.032 640 HG13 ILE 87 2HG1 ILE 87 -2.883 10.476 4.477 641 HG21 ILE 87 1HG2 ILE 87 -2.555 13.702 4.861 642 HG22 ILE 87 2HG2 ILE 87 -1.260 13.298 5.986 643 HG23 ILE 87 3HG2 ILE 87 -1.470 12.356 4.510 644 HD11 ILE 87 1HD1 ILE 87 -0.970 9.454 4.951 645 HD12 ILE 87 2HD1 ILE 87 -0.679 10.766 6.092 646 HD13 ILE 87 3HD1 ILE 87 -1.401 9.256 6.650 647 H LYS 88 H LYS 88 -1.352 13.767 8.835 648 HA LYS 88 HA LYS 88 -3.548 15.727 8.851 649 HB2 LYS 88 1HB LYS 88 -1.647 15.615 11.149 650 HB3 LYS 88 2HB LYS 88 -3.314 16.175 11.102 651 HG2 LYS 88 1HG LYS 88 -4.166 13.992 11.189 652 HG3 LYS 88 2HG LYS 88 -2.605 13.278 10.779 653 HD2 LYS 88 1HD LYS 88 -1.708 14.079 12.935 654 HD3 LYS 88 2HD LYS 88 -3.306 14.709 13.343 655 HE2 LYS 88 1HE LYS 88 -4.089 12.275 12.869 656 HE3 LYS 88 2HE LYS 88 -2.388 11.871 13.095 657 HZ1 LYS 88 1HZ LYS 88 -3.085 13.531 15.195 658 HZ2 LYS 88 2HZ LYS 88 -2.769 11.871 15.262 659 HZ3 LYS 88 3HZ LYS 88 -4.355 12.422 15.049 660 H LYS 89 H LYS 89 -2.661 17.959 9.538 661 HA LYS 89 HA LYS 89 -0.021 18.391 8.305 662 HB2 LYS 89 1HB LYS 89 -1.967 19.032 6.821 663 HB3 LYS 89 2HB LYS 89 -2.371 20.264 8.010 664 HG2 LYS 89 1HG LYS 89 -0.118 21.247 7.681 665 HG3 LYS 89 2HG LYS 89 0.159 20.074 6.390 666 HD2 LYS 89 1HD LYS 89 -2.302 21.747 6.283 667 HD3 LYS 89 2HD LYS 89 -0.757 22.500 5.881 668 HE2 LYS 89 1HE LYS 89 -0.376 20.600 4.275 669 HE3 LYS 89 2HE LYS 89 -2.045 20.114 4.568 670 HZ1 LYS 89 1HZ LYS 89 -2.816 21.742 3.275 671 HZ2 LYS 89 2HZ LYS 89 -1.242 21.857 2.668 672 HZ3 LYS 89 3HZ LYS 89 -1.751 22.897 3.901 673 H ASN 90 H ASN 90 1.241 18.917 9.983 674 HA ASN 90 HA ASN 90 2.098 20.072 11.745 675 HB2 ASN 90 1HB ASN 90 0.131 22.024 10.617 676 HB3 ASN 90 2HB ASN 90 0.900 22.382 12.161 677 HD21 ASN 90 1HD2 ASN 90 1.468 21.740 8.767 678 HD22 ASN 90 2HD2 ASN 90 3.025 22.487 8.692 679 H GLY 91 H GLY 91 -0.211 18.206 12.043 680 HA2 GLY 91 1HA GLY 91 -0.993 17.363 14.119 681 HA3 GLY 91 2HA GLY 91 -0.878 18.984 14.791 682 H ASN 92 H ASN 92 -2.317 18.809 11.702 683 HA ASN 92 HA ASN 92 -5.011 18.795 12.880 684 HB2 ASN 92 1HB ASN 92 -3.719 20.886 11.191 685 HB3 ASN 92 2HB ASN 92 -5.429 20.556 10.928 686 HD21 ASN 92 1HD2 ASN 92 -3.233 22.314 12.688 687 HD22 ASN 92 2HD2 ASN 92 -4.264 22.831 13.973 688 H HIS 93 H HIS 93 -5.763 16.900 12.117 689 HA HIS 93 HA HIS 93 -5.170 15.403 9.994 690 HB2 HIS 93 1HB HIS 93 -7.774 15.992 11.309 691 HB3 HIS 93 2HB HIS 93 -7.814 15.086 9.800 692 HD1 HIS 93 1HD HIS 93 -6.870 12.690 9.830 693 HD2 HIS 93 2HD HIS 93 -6.669 14.629 13.499 694 HE1 HIS 93 1HE HIS 93 -6.322 10.899 11.507 695 HE2 HIS 93 2HE HIS 93 -6.289 12.080 13.731 696 H VAL 94 H VAL 94 -5.582 15.272 7.805 697 HA VAL 94 HA VAL 94 -6.424 17.793 6.548 698 HB VAL 94 HB VAL 94 -5.212 17.076 4.566 699 HG11 VAL 94 1HG1 VAL 94 -3.346 17.937 5.415 700 HG12 VAL 94 2HG1 VAL 94 -4.075 17.782 7.014 701 HG13 VAL 94 3HG1 VAL 94 -3.051 16.493 6.381 702 HG21 VAL 94 1HG2 VAL 94 -4.386 15.001 4.201 703 HG22 VAL 94 2HG2 VAL 94 -3.971 14.748 5.897 704 HG23 VAL 94 3HG2 VAL 94 -5.638 14.547 5.357 705 H ALA 95 H ALA 95 -7.238 17.282 4.165 706 HA ALA 95 HA ALA 95 -9.759 16.024 4.465 707 HB1 ALA 95 1HB ALA 95 -9.962 16.419 2.004 708 HB2 ALA 95 2HB ALA 95 -9.565 17.854 2.950 709 HB3 ALA 95 3HB ALA 95 -8.308 17.031 2.026 710 H ASN 96 H ASN 96 -10.568 14.131 3.538 711 HA ASN 96 HA ASN 96 -10.551 11.953 2.883 712 HB2 ASN 96 1HB ASN 96 -7.991 12.764 1.487 713 HB3 ASN 96 2HB ASN 96 -8.860 11.257 1.212 714 HD21 ASN 96 1HD2 ASN 96 -8.565 14.520 0.383 715 HD22 ASN 96 2HD2 ASN 96 -9.941 14.632 -0.658 716 H SER 97 H SER 97 -9.216 12.837 5.362 717 HA SER 97 HA SER 97 -7.537 10.454 5.768 718 HB2 SER 97 1HB SER 97 -6.016 12.324 5.705 719 HB3 SER 97 2HB SER 97 -7.034 13.250 6.809 720 HG SER 97 HG SER 97 -5.794 12.403 8.281 721 HA PRO 98 HA PRO 98 -6.482 9.530 7.505 722 HB2 PRO 98 1HB PRO 98 -7.140 7.049 8.391 723 HB3 PRO 98 2HB PRO 98 -6.578 8.335 9.465 724 HG2 PRO 98 1HG PRO 98 -9.372 7.412 8.919 725 HG3 PRO 98 2HG PRO 98 -8.616 7.833 10.467 726 HD2 PRO 98 1HD PRO 98 -10.245 9.534 9.129 727 HD3 PRO 98 2HD PRO 98 -8.888 10.097 10.125 728 H VAL 99 H VAL 99 -5.864 8.083 5.878 729 HA VAL 99 HA VAL 99 -7.887 7.618 3.856 730 HB VAL 99 HB VAL 99 -4.961 6.894 3.717 731 HG11 VAL 99 1HG1 VAL 99 -5.623 5.974 1.796 732 HG12 VAL 99 2HG1 VAL 99 -7.217 6.726 1.891 733 HG13 VAL 99 3HG1 VAL 99 -5.856 7.621 1.212 734 HG21 VAL 99 1HG2 VAL 99 -5.699 9.301 2.300 735 HG22 VAL 99 2HG2 VAL 99 -6.005 9.456 4.030 736 HG23 VAL 99 3HG2 VAL 99 -4.393 9.032 3.454 737 H SER 100 H SER 100 -8.984 5.789 3.673 738 HA SER 100 HA SER 100 -8.137 3.435 5.152 739 HB2 SER 100 1HB SER 100 -10.654 4.138 3.642 740 HB3 SER 100 2HB SER 100 -10.367 2.527 4.301 741 HG SER 100 HG SER 100 -11.106 3.322 6.091 742 H ILE 101 H ILE 101 -7.013 1.837 4.278 743 HA ILE 101 HA ILE 101 -7.158 1.439 1.362 744 HB ILE 101 HB ILE 101 -4.703 0.989 3.058 745 HG12 ILE 101 1HG1 ILE 101 -5.266 3.235 1.110 746 HG13 ILE 101 2HG1 ILE 101 -5.307 3.397 2.863 747 HG21 ILE 101 1HG2 ILE 101 -4.410 1.293 0.172 748 HG22 ILE 101 2HG2 ILE 101 -3.731 0.084 1.261 749 HG23 ILE 101 3HG2 ILE 101 -5.371 -0.110 0.641 750 HD11 ILE 101 1HD1 ILE 101 -3.184 4.045 1.440 751 HD12 ILE 101 2HD1 ILE 101 -3.045 3.347 3.055 752 HD13 ILE 101 3HD1 ILE 101 -2.833 2.327 1.633 753 H MET 102 H MET 102 -7.277 -0.643 0.619 754 HA MET 102 HA MET 102 -7.801 -2.684 2.654 755 HB2 MET 102 1HB MET 102 -9.603 -2.415 1.099 756 HB3 MET 102 2HB MET 102 -8.510 -2.514 -0.275 757 HG2 MET 102 1HG MET 102 -9.938 -4.556 0.286 758 HG3 MET 102 2HG MET 102 -8.226 -4.802 -0.049 759 HE1 MET 102 1HE MET 102 -10.263 -5.087 4.069 760 HE2 MET 102 2HE MET 102 -10.222 -3.575 3.162 761 HE3 MET 102 3HE MET 102 -11.095 -4.966 2.519 762 H VAL 103 H VAL 103 -6.289 -4.137 3.094 763 HA VAL 103 HA VAL 103 -4.189 -4.641 1.094 764 HB VAL 103 HB VAL 103 -4.113 -5.143 4.073 765 HG11 VAL 103 1HG1 VAL 103 -1.961 -5.368 1.971 766 HG12 VAL 103 2HG1 VAL 103 -1.715 -5.540 3.711 767 HG13 VAL 103 3HG1 VAL 103 -2.716 -6.703 2.842 768 HG21 VAL 103 1HG2 VAL 103 -2.692 -3.018 2.475 769 HG22 VAL 103 2HG2 VAL 103 -4.148 -2.742 3.431 770 HG23 VAL 103 3HG2 VAL 103 -2.653 -3.238 4.224 771 H VAL 104 H VAL 104 -3.773 -6.671 0.378 772 HA VAL 104 HA VAL 104 -5.188 -8.922 1.612 773 HB VAL 104 HB VAL 104 -5.908 -9.784 -0.552 774 HG11 VAL 104 1HG1 VAL 104 -7.320 -7.490 -1.095 775 HG12 VAL 104 2HG1 VAL 104 -7.763 -8.717 0.093 776 HG13 VAL 104 3HG1 VAL 104 -6.868 -7.283 0.596 777 HG21 VAL 104 1HG2 VAL 104 -5.821 -8.195 -2.526 778 HG22 VAL 104 2HG2 VAL 104 -4.627 -7.276 -1.610 779 HG23 VAL 104 3HG2 VAL 104 -4.296 -8.948 -2.061 780 H GLN 105 H GLN 105 -4.365 -11.032 0.882 781 HA GLN 105 HA GLN 105 -1.473 -10.913 0.566 782 HB2 GLN 105 1HB GLN 105 -3.425 -12.940 1.531 783 HB3 GLN 105 2HB GLN 105 -1.919 -13.530 0.841 784 HG2 GLN 105 1HG GLN 105 -1.874 -11.415 2.947 785 HG3 GLN 105 2HG GLN 105 -2.092 -13.107 3.388 786 HE21 GLN 105 1HE2 GLN 105 -0.232 -13.775 4.195 787 HE22 GLN 105 2HE2 GLN 105 1.321 -13.560 3.471 788 H SER 106 H SER 106 -0.806 -10.745 -1.481 789 HA SER 106 HA SER 106 -2.030 -11.269 -3.818 790 HB2 SER 106 1HB SER 106 0.270 -11.844 -4.751 791 HB3 SER 106 2HB SER 106 0.148 -10.313 -3.884 792 HG SER 106 HG SER 106 0.861 -12.606 -2.449 793 H GLU 107 H GLU 107 -2.261 -12.994 -5.259 794 HA GLU 107 HA GLU 107 -2.431 -15.596 -3.963 795 HB2 GLU 107 1HB GLU 107 -3.671 -16.270 -5.988 796 HB3 GLU 107 2HB GLU 107 -4.372 -14.855 -5.214 797 HG2 GLU 107 1HG GLU 107 -3.428 -13.406 -6.869 798 HG3 GLU 107 2HG GLU 107 -2.525 -14.739 -7.584 799 H ILE 108 H ILE 108 0.188 -14.746 -4.382 800 HA ILE 108 HA ILE 108 1.410 -15.546 -6.746 801 HB ILE 108 HB ILE 108 3.474 -15.747 -5.495 802 HG12 ILE 108 1HG1 ILE 108 3.125 -15.248 -2.900 803 HG13 ILE 108 2HG1 ILE 108 1.596 -16.066 -3.202 804 HG21 ILE 108 1HG2 ILE 108 3.128 -13.517 -5.849 805 HG22 ILE 108 2HG2 ILE 108 1.625 -13.491 -4.929 806 HG23 ILE 108 3HG2 ILE 108 3.175 -13.534 -4.086 807 HD11 ILE 108 1HD1 ILE 108 2.749 -17.919 -2.749 808 HD12 ILE 108 2HD1 ILE 108 3.366 -17.752 -4.393 809 HD13 ILE 108 3HD1 ILE 108 4.304 -17.138 -3.031 810 H GLY 109 H GLY 109 0.285 -17.448 -4.028 811 HA2 GLY 109 1HA GLY 109 -0.277 -19.788 -5.060 812 HA3 GLY 109 2HA GLY 109 1.476 -19.875 -5.161 813 H ASP 110 H ASP 110 2.138 -21.252 -3.650 814 HA ASP 110 HA ASP 110 0.883 -21.150 -0.995 815 HB2 ASP 110 1HB ASP 110 2.222 -23.364 -0.733 816 HB3 ASP 110 2HB ASP 110 0.761 -23.361 -1.718 817 H SER 111 H SER 111 1.920 -19.970 0.459 818 HA SER 111 HA SER 111 4.800 -19.549 0.195 819 HB2 SER 111 1HB SER 111 2.584 -18.119 1.608 820 HB3 SER 111 2HB SER 111 4.231 -17.935 2.210 821 HG SER 111 HG SER 111 3.281 -16.490 0.406 822 H GLY 112 H GLY 112 5.199 -21.804 0.859 823 HA2 GLY 112 1HA GLY 112 4.518 -22.815 3.389 824 HA3 GLY 112 2HA GLY 112 5.879 -23.349 2.414 825 HA PRO 113 HA PRO 113 7.621 -21.508 6.264 826 HB2 PRO 113 1HB PRO 113 9.543 -23.402 6.561 827 HB3 PRO 113 2HB PRO 113 7.899 -23.599 7.176 828 HG2 PRO 113 1HG PRO 113 9.122 -24.675 4.665 829 HG3 PRO 113 2HG PRO 113 8.054 -25.485 5.826 830 HD2 PRO 113 1HD PRO 113 7.157 -24.478 3.478 831 HD3 PRO 113 2HD PRO 113 6.155 -24.521 4.943 832 H SER 114 H SER 114 8.910 -19.824 5.902 833 HA SER 114 HA SER 114 11.366 -20.214 4.358 834 HB2 SER 114 1HB SER 114 9.315 -18.054 3.836 835 HB3 SER 114 2HB SER 114 10.969 -17.992 3.228 836 HG SER 114 HG SER 114 10.378 -19.282 1.691 837 H SER 115 H SER 115 13.037 -18.731 4.850 838 HA SER 115 HA SER 115 12.664 -17.386 7.440 839 HB2 SER 115 1HB SER 115 15.039 -17.673 7.811 840 HB3 SER 115 2HB SER 115 14.352 -19.228 7.342 841 HG SER 115 HG SER 115 15.308 -19.085 5.400 842 H GLY 116 H GLY 116 13.364 -15.284 7.751 843 HA2 GLY 116 1HA GLY 116 14.505 -13.297 7.067 844 HA3 GLY 116 2HA GLY 116 14.414 -13.856 5.404 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -20.599 -17.375 6.646 2 HA2 GLY 1 1HA GLY 1 -20.385 -15.478 8.771 3 HA3 GLY 1 2HA GLY 1 -19.477 -16.942 9.122 4 H SER 2 H SER 2 -17.396 -16.495 8.821 5 HA SER 2 HA SER 2 -16.520 -15.621 6.195 6 HB2 SER 2 1HB SER 2 -16.162 -13.989 8.687 7 HB3 SER 2 2HB SER 2 -14.930 -13.943 7.426 8 HG SER 2 HG SER 2 -17.612 -13.612 6.697 9 H SER 3 H SER 3 -14.564 -16.442 5.635 10 HA SER 3 HA SER 3 -12.698 -17.405 7.607 11 HB2 SER 3 1HB SER 3 -12.738 -19.757 6.592 12 HB3 SER 3 2HB SER 3 -14.066 -19.337 7.675 13 HG SER 3 HG SER 3 -14.373 -18.846 4.939 14 H GLY 4 H GLY 4 -10.689 -18.141 6.661 15 HA2 GLY 4 1HA GLY 4 -10.281 -17.975 3.826 16 HA3 GLY 4 2HA GLY 4 -9.674 -16.559 4.673 17 H SER 5 H SER 5 -7.517 -16.885 4.331 18 HA SER 5 HA SER 5 -6.371 -19.392 5.365 19 HB2 SER 5 1HB SER 5 -5.256 -17.410 3.369 20 HB3 SER 5 2HB SER 5 -4.367 -18.800 3.992 21 HG SER 5 HG SER 5 -6.676 -18.767 2.366 22 H SER 6 H SER 6 -4.570 -19.322 6.735 23 HA SER 6 HA SER 6 -4.505 -17.027 8.473 24 HB2 SER 6 1HB SER 6 -3.016 -19.658 8.507 25 HB3 SER 6 2HB SER 6 -2.806 -18.409 9.734 26 HG SER 6 HG SER 6 -4.568 -19.087 10.632 27 H GLY 7 H GLY 7 -1.978 -18.797 6.669 28 HA2 GLY 7 1HA GLY 7 -0.533 -17.469 5.177 29 HA3 GLY 7 2HA GLY 7 -0.536 -16.228 6.422 30 H ILE 8 H ILE 8 0.582 -19.468 5.617 31 HA ILE 8 HA ILE 8 2.102 -19.979 7.904 32 HB ILE 8 HB ILE 8 3.403 -21.540 6.515 33 HG12 ILE 8 1HG1 ILE 8 2.460 -21.726 4.072 34 HG13 ILE 8 2HG1 ILE 8 2.041 -20.033 4.310 35 HG21 ILE 8 1HG2 ILE 8 1.579 -23.001 5.913 36 HG22 ILE 8 2HG2 ILE 8 1.185 -22.156 7.410 37 HG23 ILE 8 3HG2 ILE 8 0.456 -21.641 5.889 38 HD11 ILE 8 1HD1 ILE 8 4.686 -20.257 5.153 39 HD12 ILE 8 2HD1 ILE 8 4.575 -21.218 3.679 40 HD13 ILE 8 3HD1 ILE 8 4.090 -19.522 3.664 41 HA PRO 9 HA PRO 9 5.464 -17.147 7.631 42 HB2 PRO 9 1HB PRO 9 7.278 -18.501 9.131 43 HB3 PRO 9 2HB PRO 9 5.883 -17.670 9.829 44 HG2 PRO 9 1HG PRO 9 6.241 -20.576 9.206 45 HG3 PRO 9 2HG PRO 9 5.523 -19.820 10.640 46 HD2 PRO 9 1HD PRO 9 4.025 -20.852 8.634 47 HD3 PRO 9 2HD PRO 9 3.505 -19.449 9.589 48 H GLY 10 H GLY 10 6.775 -16.826 5.952 49 HA2 GLY 10 1HA GLY 10 8.998 -18.305 5.275 50 HA3 GLY 10 2HA GLY 10 7.693 -18.974 4.306 51 H SER 11 H SER 11 9.344 -18.154 2.652 52 HA SER 11 HA SER 11 8.548 -15.430 1.875 53 HB2 SER 11 1HB SER 11 10.934 -15.625 2.796 54 HB3 SER 11 2HB SER 11 11.303 -16.532 1.328 55 HG SER 11 HG SER 11 11.371 -13.971 1.567 56 HA PRO 12 HA PRO 12 7.517 -18.355 -1.525 57 HB2 PRO 12 1HB PRO 12 5.233 -17.064 -2.223 58 HB3 PRO 12 2HB PRO 12 5.298 -18.270 -0.933 59 HG2 PRO 12 1HG PRO 12 5.329 -15.283 -0.737 60 HG3 PRO 12 2HG PRO 12 4.440 -16.460 0.248 61 HD2 PRO 12 1HD PRO 12 6.735 -15.296 1.089 62 HD3 PRO 12 2HD PRO 12 6.278 -16.948 1.551 63 H PHE 13 H PHE 13 8.409 -18.068 -3.462 64 HA PHE 13 HA PHE 13 9.671 -15.848 -4.392 65 HB2 PHE 13 1HB PHE 13 9.612 -16.828 -6.609 66 HB3 PHE 13 2HB PHE 13 9.812 -18.108 -5.417 67 HD1 PHE 13 2HD PHE 13 7.699 -19.367 -4.688 68 HD2 PHE 13 1HD PHE 13 7.917 -16.948 -8.182 69 HE1 PHE 13 2HE PHE 13 5.745 -20.539 -5.617 70 HE2 PHE 13 1HE PHE 13 5.963 -18.115 -9.117 71 HZ PHE 13 HZ PHE 13 4.876 -19.915 -7.835 72 H THR 14 H THR 14 9.176 -13.999 -5.449 73 HA THR 14 HA THR 14 6.713 -12.801 -5.202 74 HB THR 14 HB THR 14 8.742 -12.224 -7.370 75 HG1 THR 14 1HG THR 14 8.535 -10.765 -4.974 76 HG21 THR 14 1HG2 THR 14 6.231 -11.208 -7.191 77 HG22 THR 14 2HG2 THR 14 7.605 -10.343 -7.881 78 HG23 THR 14 3HG2 THR 14 7.130 -10.054 -6.207 79 H ALA 15 H ALA 15 4.806 -13.130 -6.123 80 HA ALA 15 HA ALA 15 4.555 -13.697 -8.932 81 HB1 ALA 15 1HB ALA 15 3.282 -15.798 -8.624 82 HB2 ALA 15 2HB ALA 15 4.981 -15.942 -8.175 83 HB3 ALA 15 3HB ALA 15 3.748 -15.794 -6.923 84 H LYS 16 H LYS 16 2.718 -12.844 -9.696 85 HA LYS 16 HA LYS 16 0.691 -12.002 -7.736 86 HB2 LYS 16 1HB LYS 16 1.696 -10.118 -8.854 87 HB3 LYS 16 2HB LYS 16 1.433 -10.853 -10.429 88 HG2 LYS 16 1HG LYS 16 -1.019 -10.703 -10.012 89 HG3 LYS 16 2HG LYS 16 -0.658 -9.799 -8.540 90 HD2 LYS 16 1HD LYS 16 -1.087 -8.156 -10.159 91 HD3 LYS 16 2HD LYS 16 0.674 -8.220 -10.047 92 HE2 LYS 16 1HE LYS 16 0.583 -9.848 -11.998 93 HE3 LYS 16 2HE LYS 16 -1.103 -9.368 -12.184 94 HZ1 LYS 16 1HZ LYS 16 1.182 -8.058 -13.125 95 HZ2 LYS 16 2HZ LYS 16 0.454 -7.052 -11.976 96 HZ3 LYS 16 3HZ LYS 16 -0.436 -7.598 -13.307 97 H ILE 17 H ILE 17 -1.374 -12.661 -7.935 98 HA ILE 17 HA ILE 17 -1.981 -14.827 -9.676 99 HB ILE 17 HB ILE 17 -4.273 -14.660 -8.767 100 HG12 ILE 17 1HG1 ILE 17 -4.266 -12.931 -6.712 101 HG13 ILE 17 2HG1 ILE 17 -3.207 -12.056 -7.812 102 HG21 ILE 17 1HG2 ILE 17 -2.477 -15.889 -7.588 103 HG22 ILE 17 2HG2 ILE 17 -2.163 -14.444 -6.628 104 HG23 ILE 17 3HG2 ILE 17 -3.719 -15.264 -6.503 105 HD11 ILE 17 1HD1 ILE 17 -4.917 -11.397 -9.055 106 HD12 ILE 17 2HD1 ILE 17 -5.567 -13.034 -9.158 107 HD13 ILE 17 3HD1 ILE 17 -5.968 -12.011 -7.780 108 H THR 18 H THR 18 -3.854 -14.874 -11.147 109 HA THR 18 HA THR 18 -3.630 -13.053 -13.223 110 HB THR 18 HB THR 18 -5.884 -13.929 -13.977 111 HG1 THR 18 1HG THR 18 -6.824 -14.459 -12.018 112 HG21 THR 18 1HG2 THR 18 -3.880 -15.005 -14.751 113 HG22 THR 18 2HG2 THR 18 -5.041 -16.258 -14.312 114 HG23 THR 18 3HG2 THR 18 -3.704 -15.875 -13.228 115 H ASP 19 H ASP 19 -3.993 -10.935 -13.098 116 HA ASP 19 HA ASP 19 -5.362 -9.474 -11.287 117 HB2 ASP 19 1HB ASP 19 -5.513 -7.697 -12.893 118 HB3 ASP 19 2HB ASP 19 -4.021 -8.579 -13.212 119 H ASP 20 H ASP 20 -7.419 -9.004 -10.756 120 HA ASP 20 HA ASP 20 -9.539 -10.264 -12.367 121 HB2 ASP 20 1HB ASP 20 -9.152 -9.947 -9.426 122 HB3 ASP 20 2HB ASP 20 -10.798 -9.923 -10.052 123 H SER 21 H SER 21 -11.765 -9.126 -11.727 124 HA SER 21 HA SER 21 -11.379 -6.301 -12.411 125 HB2 SER 21 1HB SER 21 -12.875 -8.047 -13.727 126 HB3 SER 21 2HB SER 21 -14.064 -7.612 -12.499 127 HG SER 21 HG SER 21 -13.952 -6.323 -14.544 128 H ARG 22 H ARG 22 -11.029 -7.219 -9.706 129 HA ARG 22 HA ARG 22 -13.347 -6.661 -8.156 130 HB2 ARG 22 1HB ARG 22 -10.418 -6.903 -7.524 131 HB3 ARG 22 2HB ARG 22 -11.570 -6.396 -6.296 132 HG2 ARG 22 1HG ARG 22 -12.854 -8.547 -6.994 133 HG3 ARG 22 2HG ARG 22 -11.292 -9.035 -7.654 134 HD2 ARG 22 1HD ARG 22 -11.203 -9.897 -5.513 135 HD3 ARG 22 2HD ARG 22 -10.381 -8.348 -5.323 136 HE ARG 22 HE ARG 22 -13.137 -8.046 -4.799 137 HH11 ARG 22 1HH1 ARG 22 -10.240 -9.408 -3.430 138 HH12 ARG 22 2HH1 ARG 22 -10.781 -9.242 -1.792 139 HH21 ARG 22 1HH2 ARG 22 -13.859 -7.822 -2.648 140 HH22 ARG 22 2HH2 ARG 22 -12.839 -8.340 -1.348 141 H ARG 23 H ARG 23 -13.833 -4.834 -6.905 142 HA ARG 23 HA ARG 23 -12.684 -2.344 -7.958 143 HB2 ARG 23 1HB ARG 23 -15.180 -2.806 -8.129 144 HB3 ARG 23 2HB ARG 23 -15.240 -2.626 -6.381 145 HG2 ARG 23 1HG ARG 23 -15.876 -0.547 -7.277 146 HG3 ARG 23 2HG ARG 23 -14.219 -0.341 -6.706 147 HD2 ARG 23 1HD ARG 23 -13.446 -0.778 -9.041 148 HD3 ARG 23 2HD ARG 23 -15.135 -0.759 -9.546 149 HE ARG 23 HE ARG 23 -14.532 1.602 -8.125 150 HH11 ARG 23 1HH1 ARG 23 -13.937 0.041 -11.180 151 HH12 ARG 23 2HH1 ARG 23 -13.731 1.527 -12.047 152 HH21 ARG 23 1HH2 ARG 23 -14.264 3.565 -9.256 153 HH22 ARG 23 2HH2 ARG 23 -13.917 3.530 -10.952 154 H CYS 24 H CYS 24 -11.240 -3.796 -6.013 155 HA CYS 24 HA CYS 24 -11.370 -1.906 -3.762 156 HB2 CYS 24 1HB CYS 24 -12.162 -4.408 -3.395 157 HB3 CYS 24 2HB CYS 24 -10.430 -4.699 -3.278 158 HG CYS 24 HG CYS 24 -11.895 -2.290 -1.368 159 H SER 25 H SER 25 -9.212 -2.303 -2.390 160 HA SER 25 HA SER 25 -7.043 -1.878 -4.311 161 HB2 SER 25 1HB SER 25 -7.295 -1.201 -1.373 162 HB3 SER 25 2HB SER 25 -5.828 -0.941 -2.316 163 HG SER 25 HG SER 25 -7.420 0.865 -2.095 164 H GLN 26 H GLN 26 -5.541 -3.373 -4.638 165 HA GLN 26 HA GLN 26 -5.262 -5.533 -2.656 166 HB2 GLN 26 1HB GLN 26 -6.089 -6.063 -5.026 167 HB3 GLN 26 2HB GLN 26 -4.445 -5.721 -5.548 168 HG2 GLN 26 1HG GLN 26 -3.825 -7.445 -3.676 169 HG3 GLN 26 2HG GLN 26 -5.488 -7.979 -3.918 170 HE21 GLN 26 1HE2 GLN 26 -3.722 -9.817 -4.440 171 HE22 GLN 26 2HE2 GLN 26 -3.469 -10.033 -6.135 172 H VAL 27 H VAL 27 -3.342 -5.862 -1.716 173 HA VAL 27 HA VAL 27 -0.954 -4.621 -2.896 174 HB VAL 27 HB VAL 27 -1.249 -4.585 0.072 175 HG11 VAL 27 1HG1 VAL 27 0.425 -3.347 -1.997 176 HG12 VAL 27 2HG1 VAL 27 -0.054 -2.270 -0.684 177 HG13 VAL 27 3HG1 VAL 27 0.807 -3.768 -0.328 178 HG21 VAL 27 1HG2 VAL 27 -2.141 -2.193 -0.244 179 HG22 VAL 27 2HG2 VAL 27 -2.638 -2.742 -1.844 180 HG23 VAL 27 3HG2 VAL 27 -3.277 -3.533 -0.403 181 H LYS 28 H LYS 28 1.074 -5.506 -2.056 182 HA LYS 28 HA LYS 28 0.808 -8.372 -1.568 183 HB2 LYS 28 1HB LYS 28 3.298 -6.774 -2.189 184 HB3 LYS 28 2HB LYS 28 3.144 -8.526 -2.203 185 HG2 LYS 28 1HG LYS 28 1.763 -6.605 -4.066 186 HG3 LYS 28 2HG LYS 28 3.136 -7.642 -4.457 187 HD2 LYS 28 1HD LYS 28 1.545 -9.553 -3.647 188 HD3 LYS 28 2HD LYS 28 0.277 -8.369 -3.980 189 HE2 LYS 28 1HE LYS 28 2.394 -8.978 -6.013 190 HE3 LYS 28 2HE LYS 28 0.977 -10.014 -5.846 191 HZ1 LYS 28 1HZ LYS 28 -0.419 -8.381 -6.586 192 HZ2 LYS 28 2HZ LYS 28 0.963 -8.016 -7.491 193 HZ3 LYS 28 3HZ LYS 28 0.595 -7.115 -6.107 194 H LEU 29 H LEU 29 0.931 -9.137 0.429 195 HA LEU 29 HA LEU 29 1.726 -7.541 2.641 196 HB2 LEU 29 1HB LEU 29 0.092 -9.574 2.484 197 HB3 LEU 29 2HB LEU 29 1.549 -10.519 2.786 198 HG LEU 29 HG LEU 29 1.868 -9.188 4.886 199 HD11 LEU 29 1HD1 LEU 29 -0.940 -8.260 4.307 200 HD12 LEU 29 2HD1 LEU 29 0.504 -7.254 4.228 201 HD13 LEU 29 3HD1 LEU 29 -0.008 -7.940 5.769 202 HD21 LEU 29 1HD2 LEU 29 -0.187 -11.185 4.316 203 HD22 LEU 29 2HD2 LEU 29 -0.479 -10.263 5.792 204 HD23 LEU 29 3HD2 LEU 29 1.036 -11.144 5.585 205 H GLY 30 H GLY 30 3.679 -7.240 3.497 206 HA2 GLY 30 1HA GLY 30 5.809 -7.903 4.259 207 HA3 GLY 30 2HA GLY 30 5.738 -9.289 3.181 208 H SER 31 H SER 31 4.779 -6.487 1.597 209 HA SER 31 HA SER 31 7.503 -5.900 0.670 210 HB2 SER 31 1HB SER 31 6.114 -7.498 -0.857 211 HB3 SER 31 2HB SER 31 5.244 -6.032 -1.304 212 HG SER 31 HG SER 31 7.080 -5.190 -2.153 213 H ALA 32 H ALA 32 7.633 -3.846 -0.549 214 HA ALA 32 HA ALA 32 5.941 -1.845 0.726 215 HB1 ALA 32 1HB ALA 32 7.793 -0.629 0.774 216 HB2 ALA 32 2HB ALA 32 8.659 -1.952 -0.008 217 HB3 ALA 32 3HB ALA 32 7.912 -0.688 -0.985 218 H ALA 33 H ALA 33 4.104 -1.368 -0.291 219 HA ALA 33 HA ALA 33 4.126 -1.205 -3.232 220 HB1 ALA 33 1HB ALA 33 1.477 -1.220 -2.106 221 HB2 ALA 33 2HB ALA 33 2.213 -2.333 -3.260 222 HB3 ALA 33 3HB ALA 33 2.409 -2.602 -1.528 223 H ASP 34 H ASP 34 3.137 0.555 -4.255 224 HA ASP 34 HA ASP 34 3.037 2.971 -2.609 225 HB2 ASP 34 1HB ASP 34 2.968 2.767 -5.624 226 HB3 ASP 34 2HB ASP 34 3.276 4.209 -4.661 227 H PHE 35 H PHE 35 1.281 4.359 -2.563 228 HA PHE 35 HA PHE 35 -1.221 3.276 -3.683 229 HB2 PHE 35 1HB PHE 35 -0.839 4.746 -1.067 230 HB3 PHE 35 2HB PHE 35 -2.389 4.239 -1.728 231 HD1 PHE 35 1HD PHE 35 0.771 3.083 -0.255 232 HD2 PHE 35 2HD PHE 35 -3.117 1.972 -1.584 233 HE1 PHE 35 1HE PHE 35 1.016 0.904 0.861 234 HE2 PHE 35 2HE PHE 35 -2.879 -0.208 -0.471 235 HZ PHE 35 HZ PHE 35 -0.811 -0.745 0.755 236 H LEU 36 H LEU 36 -1.911 4.527 -5.282 237 HA LEU 36 HA LEU 36 -1.151 7.318 -5.425 238 HB2 LEU 36 1HB LEU 36 -1.256 5.650 -7.370 239 HB3 LEU 36 2HB LEU 36 -3.000 5.895 -7.312 240 HG LEU 36 HG LEU 36 -2.543 8.355 -7.663 241 HD11 LEU 36 1HD1 LEU 36 0.210 7.286 -8.259 242 HD12 LEU 36 2HD1 LEU 36 -0.233 8.452 -7.012 243 HD13 LEU 36 3HD1 LEU 36 -0.365 8.890 -8.716 244 HD21 LEU 36 1HD2 LEU 36 -1.933 7.969 -10.125 245 HD22 LEU 36 2HD2 LEU 36 -3.398 7.207 -9.506 246 HD23 LEU 36 3HD2 LEU 36 -1.927 6.254 -9.713 247 H LEU 37 H LEU 37 -2.279 8.770 -4.316 248 HA LEU 37 HA LEU 37 -5.214 8.554 -4.317 249 HB2 LEU 37 1HB LEU 37 -5.390 8.970 -2.084 250 HB3 LEU 37 2HB LEU 37 -3.887 8.051 -2.111 251 HG LEU 37 HG LEU 37 -3.927 11.058 -2.121 252 HD11 LEU 37 1HD1 LEU 37 -5.032 10.665 -0.127 253 HD12 LEU 37 2HD1 LEU 37 -3.341 10.687 0.373 254 HD13 LEU 37 3HD1 LEU 37 -4.179 9.149 0.169 255 HD21 LEU 37 1HD2 LEU 37 -1.860 9.893 -2.812 256 HD22 LEU 37 2HD2 LEU 37 -1.833 9.067 -1.255 257 HD23 LEU 37 3HD2 LEU 37 -1.660 10.821 -1.326 258 H ASP 38 H ASP 38 -6.293 10.346 -4.893 259 HA ASP 38 HA ASP 38 -4.751 12.650 -5.739 260 HB2 ASP 38 1HB ASP 38 -7.734 12.188 -5.934 261 HB3 ASP 38 2HB ASP 38 -6.798 13.408 -6.794 262 H ILE 39 H ILE 39 -4.155 13.924 -4.076 263 HA ILE 39 HA ILE 39 -6.309 15.000 -2.383 264 HB ILE 39 HB ILE 39 -4.531 15.225 -0.568 265 HG12 ILE 39 1HG1 ILE 39 -3.189 12.917 -1.939 266 HG13 ILE 39 2HG1 ILE 39 -2.716 14.568 -2.326 267 HG21 ILE 39 1HG2 ILE 39 -6.327 13.693 -0.278 268 HG22 ILE 39 2HG2 ILE 39 -5.609 12.542 -1.405 269 HG23 ILE 39 3HG2 ILE 39 -4.844 12.841 0.156 270 HD11 ILE 39 1HD1 ILE 39 -1.638 13.056 -0.350 271 HD12 ILE 39 2HD1 ILE 39 -1.602 14.819 -0.408 272 HD13 ILE 39 3HD1 ILE 39 -2.840 13.992 0.537 273 H SER 40 H SER 40 -6.305 17.169 -2.072 274 HA SER 40 HA SER 40 -4.612 18.750 -3.773 275 HB2 SER 40 1HB SER 40 -6.737 19.558 -1.773 276 HB3 SER 40 2HB SER 40 -5.930 20.664 -2.884 277 HG SER 40 HG SER 40 -7.839 18.696 -3.393 278 H GLU 41 H GLU 41 -2.977 17.466 -2.019 279 HA GLU 41 HA GLU 41 -1.999 19.690 -0.362 280 HB2 GLU 41 1HB GLU 41 -2.128 16.779 0.443 281 HB3 GLU 41 2HB GLU 41 -1.269 18.023 1.340 282 HG2 GLU 41 1HG GLU 41 -3.193 19.012 2.092 283 HG3 GLU 41 2HG GLU 41 -4.155 18.419 0.739 284 H THR 42 H THR 42 -0.011 20.253 -0.917 285 HA THR 42 HA THR 42 1.628 18.364 -2.447 286 HB THR 42 HB THR 42 2.007 21.339 -2.059 287 HG1 THR 42 1HG THR 42 0.243 21.084 -3.358 288 HG21 THR 42 1HG2 THR 42 4.062 19.943 -2.553 289 HG22 THR 42 2HG2 THR 42 3.705 21.221 -3.715 290 HG23 THR 42 3HG2 THR 42 3.311 19.546 -4.099 291 H ASP 43 H ASP 43 2.465 21.002 -0.208 292 HA ASP 43 HA ASP 43 4.888 20.259 0.645 293 HB2 ASP 43 1HB ASP 43 2.589 21.381 2.226 294 HB3 ASP 43 2HB ASP 43 4.150 21.085 2.987 295 H LEU 44 H LEU 44 5.625 18.279 1.058 296 HA LEU 44 HA LEU 44 4.005 16.218 2.197 297 HB2 LEU 44 1HB LEU 44 6.821 16.477 1.284 298 HB3 LEU 44 2HB LEU 44 6.427 15.153 2.378 299 HG LEU 44 HG LEU 44 4.539 14.681 0.608 300 HD11 LEU 44 1HD1 LEU 44 6.235 16.669 -0.694 301 HD12 LEU 44 2HD1 LEU 44 4.607 16.124 -1.096 302 HD13 LEU 44 3HD1 LEU 44 6.007 15.198 -1.639 303 HD21 LEU 44 1HD2 LEU 44 7.454 14.010 0.226 304 HD22 LEU 44 2HD2 LEU 44 6.117 13.191 -0.580 305 HD23 LEU 44 3HD2 LEU 44 6.274 13.107 1.175 306 H SER 45 H SER 45 7.004 17.772 3.355 307 HA SER 45 HA SER 45 7.136 16.713 5.870 308 HB2 SER 45 1HB SER 45 8.257 18.865 6.546 309 HB3 SER 45 2HB SER 45 8.901 18.138 5.074 310 HG SER 45 HG SER 45 8.589 20.311 4.695 311 H SER 46 H SER 46 5.182 19.465 4.814 312 HA SER 46 HA SER 46 4.222 20.284 7.300 313 HB2 SER 46 1HB SER 46 2.806 20.367 4.625 314 HB3 SER 46 2HB SER 46 2.354 21.301 6.052 315 HG SER 46 HG SER 46 4.910 21.450 4.835 316 H LEU 47 H LEU 47 3.214 17.662 5.208 317 HA LEU 47 HA LEU 47 0.899 17.063 6.862 318 HB2 LEU 47 1HB LEU 47 2.019 15.577 4.491 319 HB3 LEU 47 2HB LEU 47 0.460 15.286 5.261 320 HG LEU 47 HG LEU 47 1.222 17.824 3.819 321 HD11 LEU 47 1HD1 LEU 47 0.404 16.995 1.901 322 HD12 LEU 47 2HD1 LEU 47 -0.860 16.074 2.717 323 HD13 LEU 47 3HD1 LEU 47 0.779 15.433 2.627 324 HD21 LEU 47 1HD2 LEU 47 -1.174 16.912 5.324 325 HD22 LEU 47 2HD2 LEU 47 -1.417 17.898 3.882 326 HD23 LEU 47 3HD2 LEU 47 -0.444 18.515 5.218 327 H THR 48 H THR 48 0.584 14.762 7.569 328 HA THR 48 HA THR 48 3.113 13.694 8.643 329 HB THR 48 HB THR 48 0.486 13.080 9.935 330 HG1 THR 48 1HG THR 48 0.348 15.274 9.948 331 HG21 THR 48 1HG2 THR 48 3.365 13.024 10.626 332 HG22 THR 48 2HG2 THR 48 2.067 11.922 11.085 333 HG23 THR 48 3HG2 THR 48 2.251 13.465 11.920 334 H ALA 49 H ALA 49 3.333 11.417 8.815 335 HA ALA 49 HA ALA 49 1.451 9.862 7.168 336 HB1 ALA 49 1HB ALA 49 4.444 9.513 7.152 337 HB2 ALA 49 2HB ALA 49 3.266 8.660 6.153 338 HB3 ALA 49 3HB ALA 49 3.532 10.389 5.921 339 H SER 50 H SER 50 0.535 8.328 8.349 340 HA SER 50 HA SER 50 2.143 6.661 10.091 341 HB2 SER 50 1HB SER 50 1.194 8.735 11.385 342 HB3 SER 50 2HB SER 50 -0.324 7.838 11.326 343 HG SER 50 HG SER 50 1.995 6.513 12.167 344 H ILE 51 H ILE 51 1.312 4.626 10.356 345 HA ILE 51 HA ILE 51 -1.411 4.073 9.467 346 HB ILE 51 HB ILE 51 0.980 2.669 8.271 347 HG12 ILE 51 1HG1 ILE 51 -1.060 4.504 6.994 348 HG13 ILE 51 2HG1 ILE 51 0.614 4.924 7.344 349 HG21 ILE 51 1HG2 ILE 51 -1.795 2.278 7.287 350 HG22 ILE 51 2HG2 ILE 51 -0.425 1.169 7.281 351 HG23 ILE 51 3HG2 ILE 51 -1.316 1.462 8.775 352 HD11 ILE 51 1HD1 ILE 51 0.564 4.415 5.065 353 HD12 ILE 51 2HD1 ILE 51 1.246 2.982 5.836 354 HD13 ILE 51 3HD1 ILE 51 -0.439 2.986 5.317 355 H LYS 52 H LYS 52 -2.354 2.432 10.552 356 HA LYS 52 HA LYS 52 -0.661 0.617 12.117 357 HB2 LYS 52 1HB LYS 52 -1.263 2.282 13.719 358 HB3 LYS 52 2HB LYS 52 -2.934 2.297 13.172 359 HG2 LYS 52 1HG LYS 52 -3.168 1.050 15.054 360 HG3 LYS 52 2HG LYS 52 -2.823 -0.240 13.900 361 HD2 LYS 52 1HD LYS 52 -1.318 -0.795 15.519 362 HD3 LYS 52 2HD LYS 52 -0.323 0.332 14.594 363 HE2 LYS 52 1HE LYS 52 -2.034 1.344 16.825 364 HE3 LYS 52 2HE LYS 52 -0.499 0.555 17.190 365 HZ1 LYS 52 1HZ LYS 52 0.291 2.241 15.317 366 HZ2 LYS 52 2HZ LYS 52 0.251 2.656 16.956 367 HZ3 LYS 52 3HZ LYS 52 -1.010 3.131 15.932 368 H ALA 53 H ALA 53 -1.284 -1.444 11.978 369 HA ALA 53 HA ALA 53 -3.482 -2.181 10.326 370 HB1 ALA 53 1HB ALA 53 -2.682 -4.461 11.718 371 HB2 ALA 53 2HB ALA 53 -2.149 -3.945 10.117 372 HB3 ALA 53 3HB ALA 53 -1.221 -3.486 11.545 373 HA PRO 54 HA PRO 54 -6.784 -2.839 13.141 374 HB2 PRO 54 1HB PRO 54 -7.727 -5.302 12.497 375 HB3 PRO 54 2HB PRO 54 -7.940 -3.890 11.456 376 HG2 PRO 54 1HG PRO 54 -5.923 -6.094 11.268 377 HG3 PRO 54 2HG PRO 54 -6.863 -5.325 9.977 378 HD2 PRO 54 1HD PRO 54 -4.280 -4.688 10.475 379 HD3 PRO 54 2HD PRO 54 -5.453 -3.506 9.862 380 H SER 55 H SER 55 -4.109 -4.974 13.222 381 HA SER 55 HA SER 55 -5.028 -6.267 15.683 382 HB2 SER 55 1HB SER 55 -2.654 -6.808 13.889 383 HB3 SER 55 2HB SER 55 -2.955 -7.664 15.401 384 HG SER 55 HG SER 55 -4.943 -7.526 13.412 385 H GLY 56 H GLY 56 -3.840 -3.412 15.117 386 HA2 GLY 56 1HA GLY 56 -2.786 -1.896 16.501 387 HA3 GLY 56 2HA GLY 56 -2.562 -3.189 17.670 388 H ARG 57 H ARG 57 -1.441 -3.611 14.418 389 HA ARG 57 HA ARG 57 1.320 -3.501 15.412 390 HB2 ARG 57 1HB ARG 57 0.287 -4.802 12.887 391 HB3 ARG 57 2HB ARG 57 1.903 -4.954 13.564 392 HG2 ARG 57 1HG ARG 57 -0.411 -5.770 15.239 393 HG3 ARG 57 2HG ARG 57 0.085 -6.819 13.909 394 HD2 ARG 57 1HD ARG 57 2.395 -6.787 14.825 395 HD3 ARG 57 2HD ARG 57 1.793 -5.870 16.204 396 HE ARG 57 HE ARG 57 1.059 -7.832 17.092 397 HH11 ARG 57 1HH1 ARG 57 1.346 -8.226 13.645 398 HH12 ARG 57 2HH1 ARG 57 0.935 -9.909 13.672 399 HH21 ARG 57 1HH2 ARG 57 0.517 -10.046 17.141 400 HH22 ARG 57 2HH2 ARG 57 0.463 -10.943 15.661 401 H ASP 58 H ASP 58 2.252 -1.598 15.038 402 HA ASP 58 HA ASP 58 1.446 0.234 13.050 403 HB2 ASP 58 1HB ASP 58 2.545 1.325 14.740 404 HB3 ASP 58 2HB ASP 58 3.714 0.026 14.965 405 H GLU 59 H GLU 59 2.508 0.903 11.143 406 HA GLU 59 HA GLU 59 4.422 -1.029 10.024 407 HB2 GLU 59 1HB GLU 59 2.185 0.233 8.439 408 HB3 GLU 59 2HB GLU 59 3.298 -1.020 7.906 409 HG2 GLU 59 1HG GLU 59 1.109 -1.274 9.950 410 HG3 GLU 59 2HG GLU 59 1.186 -2.026 8.357 411 HA PRO 60 HA PRO 60 6.825 2.515 9.014 412 HB2 PRO 60 1HB PRO 60 8.322 1.471 7.004 413 HB3 PRO 60 2HB PRO 60 8.573 1.056 8.704 414 HG2 PRO 60 1HG PRO 60 7.103 -0.459 6.581 415 HG3 PRO 60 2HG PRO 60 8.222 -1.065 7.815 416 HD2 PRO 60 1HD PRO 60 5.534 -1.257 8.066 417 HD3 PRO 60 2HD PRO 60 6.610 -1.052 9.462 418 H CYS 61 H CYS 61 5.807 4.180 8.065 419 HA CYS 61 HA CYS 61 5.060 3.904 5.228 420 HB2 CYS 61 1HB CYS 61 3.473 5.902 5.889 421 HB3 CYS 61 2HB CYS 61 2.997 4.238 6.202 422 HG CYS 61 HG CYS 61 3.901 4.371 8.917 423 H LEU 62 H LEU 62 5.688 5.482 3.818 424 HA LEU 62 HA LEU 62 7.084 7.828 4.882 425 HB2 LEU 62 1HB LEU 62 8.605 5.817 4.221 426 HB3 LEU 62 2HB LEU 62 8.261 6.339 2.573 427 HG LEU 62 HG LEU 62 10.390 7.222 3.325 428 HD11 LEU 62 1HD1 LEU 62 8.784 9.683 3.426 429 HD12 LEU 62 2HD1 LEU 62 8.457 8.618 2.061 430 HD13 LEU 62 3HD1 LEU 62 10.091 9.219 2.337 431 HD21 LEU 62 1HD2 LEU 62 9.728 9.182 5.190 432 HD22 LEU 62 2HD2 LEU 62 10.649 7.706 5.479 433 HD23 LEU 62 3HD2 LEU 62 8.906 7.725 5.748 434 H LEU 63 H LEU 63 6.326 9.605 3.958 435 HA LEU 63 HA LEU 63 4.670 9.436 1.599 436 HB2 LEU 63 1HB LEU 63 5.348 11.532 3.596 437 HB3 LEU 63 2HB LEU 63 4.741 12.045 2.023 438 HG LEU 63 HG LEU 63 3.283 10.160 3.872 439 HD11 LEU 63 1HD1 LEU 63 3.691 12.856 4.280 440 HD12 LEU 63 2HD1 LEU 63 2.384 11.884 4.957 441 HD13 LEU 63 3HD1 LEU 63 2.126 12.793 3.468 442 HD21 LEU 63 1HD2 LEU 63 1.907 11.712 1.772 443 HD22 LEU 63 2HD2 LEU 63 1.631 10.063 2.335 444 HD23 LEU 63 3HD2 LEU 63 2.954 10.404 1.219 445 H LYS 64 H LYS 64 5.193 10.005 -0.430 446 HA LYS 64 HA LYS 64 7.611 11.559 -0.929 447 HB2 LYS 64 1HB LYS 64 8.481 9.956 -2.544 448 HB3 LYS 64 2HB LYS 64 8.347 9.212 -0.956 449 HG2 LYS 64 1HG LYS 64 6.231 8.160 -1.663 450 HG3 LYS 64 2HG LYS 64 6.457 8.849 -3.273 451 HD2 LYS 64 1HD LYS 64 7.226 6.578 -3.309 452 HD3 LYS 64 2HD LYS 64 8.632 7.640 -3.410 453 HE2 LYS 64 1HE LYS 64 8.601 5.581 -1.775 454 HE3 LYS 64 2HE LYS 64 9.364 7.101 -1.310 455 HZ1 LYS 64 1HZ LYS 64 7.777 5.992 0.336 456 HZ2 LYS 64 2HZ LYS 64 6.535 6.561 -0.662 457 HZ3 LYS 64 3HZ LYS 64 7.599 7.654 0.070 458 H ARG 65 H ARG 65 7.749 12.352 -3.137 459 HA ARG 65 HA ARG 65 5.121 12.992 -4.172 460 HB2 ARG 65 1HB ARG 65 7.268 14.524 -3.928 461 HB3 ARG 65 2HB ARG 65 7.629 13.880 -5.524 462 HG2 ARG 65 1HG ARG 65 6.497 15.842 -5.987 463 HG3 ARG 65 2HG ARG 65 5.235 14.616 -6.123 464 HD2 ARG 65 1HD ARG 65 4.151 16.150 -4.822 465 HD3 ARG 65 2HD ARG 65 4.905 15.169 -3.566 466 HE ARG 65 HE ARG 65 6.034 17.036 -2.932 467 HH11 ARG 65 1HH1 ARG 65 5.279 17.321 -6.319 468 HH12 ARG 65 2HH1 ARG 65 5.981 18.897 -6.476 469 HH21 ARG 65 1HH2 ARG 65 6.962 19.111 -3.127 470 HH22 ARG 65 2HH2 ARG 65 6.939 19.913 -4.660 471 H LEU 66 H LEU 66 4.219 12.232 -6.000 472 HA LEU 66 HA LEU 66 5.718 10.182 -7.478 473 HB2 LEU 66 1HB LEU 66 2.778 10.682 -7.105 474 HB3 LEU 66 2HB LEU 66 3.398 9.575 -8.328 475 HG LEU 66 HG LEU 66 3.807 9.301 -5.351 476 HD11 LEU 66 1HD1 LEU 66 2.372 7.191 -5.894 477 HD12 LEU 66 2HD1 LEU 66 1.820 8.159 -7.260 478 HD13 LEU 66 3HD1 LEU 66 1.592 8.748 -5.613 479 HD21 LEU 66 1HD2 LEU 66 5.265 8.230 -7.505 480 HD22 LEU 66 2HD2 LEU 66 4.256 6.924 -6.882 481 HD23 LEU 66 3HD2 LEU 66 5.358 7.780 -5.801 482 HA PRO 67 HA PRO 67 5.868 12.577 -11.153 483 HB2 PRO 67 1HB PRO 67 5.622 10.651 -13.051 484 HB3 PRO 67 2HB PRO 67 7.085 10.861 -12.080 485 HG2 PRO 67 1HG PRO 67 4.842 8.909 -11.729 486 HG3 PRO 67 2HG PRO 67 6.590 8.642 -11.594 487 HD2 PRO 67 1HD PRO 67 4.993 8.963 -9.430 488 HD3 PRO 67 2HD PRO 67 6.683 9.505 -9.458 489 H ASN 68 H ASN 68 4.666 13.203 -13.082 490 HA ASN 68 HA ASN 68 2.781 13.678 -14.280 491 HB2 ASN 68 1HB ASN 68 1.340 11.488 -12.789 492 HB3 ASN 68 2HB ASN 68 0.983 12.132 -14.389 493 HD21 ASN 68 1HD2 ASN 68 1.701 9.405 -13.262 494 HD22 ASN 68 2HD2 ASN 68 2.950 8.841 -14.313 495 H ASN 69 H ASN 69 3.416 14.908 -11.754 496 HA ASN 69 HA ASN 69 2.537 16.332 -10.212 497 HB2 ASN 69 1HB ASN 69 0.193 16.330 -12.127 498 HB3 ASN 69 2HB ASN 69 0.474 17.519 -10.859 499 HD21 ASN 69 1HD2 ASN 69 0.659 19.260 -12.197 500 HD22 ASN 69 2HD2 ASN 69 1.972 19.477 -13.298 501 H HIS 70 H HIS 70 2.259 13.634 -9.586 502 HA HIS 70 HA HIS 70 -0.276 13.662 -8.088 503 HB2 HIS 70 1HB HIS 70 1.057 11.218 -9.271 504 HB3 HIS 70 2HB HIS 70 -0.443 11.241 -8.347 505 HD1 HIS 70 1HD HIS 70 -1.386 13.923 -9.994 506 HD2 HIS 70 2HD HIS 70 -0.346 10.191 -11.497 507 HE1 HIS 70 1HE HIS 70 -2.510 13.764 -12.238 508 HE2 HIS 70 2HE HIS 70 -1.936 11.464 -13.091 509 H ILE 71 H ILE 71 -0.194 12.111 -6.186 510 HA ILE 71 HA ILE 71 2.483 11.807 -5.055 511 HB ILE 71 HB ILE 71 0.261 13.245 -3.601 512 HG12 ILE 71 1HG1 ILE 71 2.952 14.330 -4.439 513 HG13 ILE 71 2HG1 ILE 71 1.494 14.534 -5.404 514 HG21 ILE 71 1HG2 ILE 71 2.888 12.138 -2.751 515 HG22 ILE 71 2HG2 ILE 71 2.330 13.642 -2.021 516 HG23 ILE 71 3HG2 ILE 71 1.350 12.183 -1.891 517 HD11 ILE 71 1HD1 ILE 71 0.495 15.554 -3.259 518 HD12 ILE 71 2HD1 ILE 71 2.176 15.710 -2.747 519 HD13 ILE 71 3HD1 ILE 71 1.625 16.509 -4.219 520 H GLY 72 H GLY 72 2.645 10.232 -3.434 521 HA2 GLY 72 1HA GLY 72 0.264 8.832 -2.552 522 HA3 GLY 72 2HA GLY 72 1.296 7.915 -3.640 523 H ILE 73 H ILE 73 0.749 7.056 -1.058 524 HA ILE 73 HA ILE 73 3.220 7.624 0.427 525 HB ILE 73 HB ILE 73 1.140 7.945 1.686 526 HG12 ILE 73 1HG1 ILE 73 2.391 5.460 2.809 527 HG13 ILE 73 2HG1 ILE 73 3.348 6.929 2.648 528 HG21 ILE 73 1HG2 ILE 73 -0.585 6.555 1.540 529 HG22 ILE 73 2HG2 ILE 73 0.326 5.622 0.353 530 HG23 ILE 73 3HG2 ILE 73 0.407 5.194 2.062 531 HD11 ILE 73 1HD1 ILE 73 2.493 7.721 4.523 532 HD12 ILE 73 2HD1 ILE 73 0.857 7.563 3.884 533 HD13 ILE 73 3HD1 ILE 73 1.609 6.210 4.729 534 H SER 74 H SER 74 4.456 5.902 1.300 535 HA SER 74 HA SER 74 4.019 3.294 0.003 536 HB2 SER 74 1HB SER 74 5.928 4.777 -0.938 537 HB3 SER 74 2HB SER 74 6.778 4.359 0.550 538 HG SER 74 HG SER 74 7.324 2.849 -0.986 539 H PHE 75 H PHE 75 3.934 1.632 1.360 540 HA PHE 75 HA PHE 75 5.520 1.539 3.760 541 HB2 PHE 75 1HB PHE 75 3.798 1.546 5.371 542 HB3 PHE 75 2HB PHE 75 3.422 2.907 4.317 543 HD1 PHE 75 1HD PHE 75 1.528 2.822 2.803 544 HD2 PHE 75 2HD PHE 75 2.406 -0.414 5.425 545 HE1 PHE 75 1HE PHE 75 -0.721 1.901 2.414 546 HE2 PHE 75 2HE PHE 75 0.160 -1.341 5.040 547 HZ PHE 75 HZ PHE 75 -1.407 -0.184 3.532 548 H ILE 76 H ILE 76 5.498 -0.535 4.771 549 HA ILE 76 HA ILE 76 4.607 -2.655 2.948 550 HB ILE 76 HB ILE 76 6.616 -2.790 5.199 551 HG12 ILE 76 1HG1 ILE 76 7.313 -3.111 2.310 552 HG13 ILE 76 2HG1 ILE 76 7.070 -1.486 2.942 553 HG21 ILE 76 1HG2 ILE 76 5.181 -4.840 3.902 554 HG22 ILE 76 2HG2 ILE 76 6.834 -4.906 3.293 555 HG23 ILE 76 3HG2 ILE 76 6.529 -5.000 5.028 556 HD11 ILE 76 1HD1 ILE 76 9.167 -3.490 3.640 557 HD12 ILE 76 2HD1 ILE 76 9.342 -1.799 3.170 558 HD13 ILE 76 3HD1 ILE 76 8.737 -2.211 4.774 559 HA PRO 77 HA PRO 77 1.429 -3.310 6.082 560 HB2 PRO 77 1HB PRO 77 -0.062 -4.967 4.534 561 HB3 PRO 77 2HB PRO 77 -0.112 -3.207 4.383 562 HG2 PRO 77 1HG PRO 77 1.380 -5.208 2.730 563 HG3 PRO 77 2HG PRO 77 0.462 -3.784 2.205 564 HD2 PRO 77 1HD PRO 77 3.163 -3.786 2.400 565 HD3 PRO 77 2HD PRO 77 2.185 -2.335 2.699 566 H ARG 78 H ARG 78 1.889 -4.663 7.694 567 HA ARG 78 HA ARG 78 3.185 -7.201 7.194 568 HB2 ARG 78 1HB ARG 78 2.343 -5.807 9.738 569 HB3 ARG 78 2HB ARG 78 3.130 -7.379 9.707 570 HG2 ARG 78 1HG ARG 78 4.375 -4.991 8.395 571 HG3 ARG 78 2HG ARG 78 4.572 -5.306 10.120 572 HD2 ARG 78 1HD ARG 78 5.263 -7.249 7.920 573 HD3 ARG 78 2HD ARG 78 6.422 -6.202 8.736 574 HE ARG 78 HE ARG 78 5.221 -7.564 10.763 575 HH11 ARG 78 1HH1 ARG 78 6.869 -8.491 7.840 576 HH12 ARG 78 2HH1 ARG 78 7.461 -9.982 8.492 577 HH21 ARG 78 1HH2 ARG 78 5.994 -9.526 11.633 578 HH22 ARG 78 2HH2 ARG 78 6.961 -10.571 10.650 579 H GLU 79 H GLU 79 0.019 -6.015 8.074 580 HA GLU 79 HA GLU 79 -0.954 -8.795 8.185 581 HB2 GLU 79 1HB GLU 79 -1.680 -6.362 9.735 582 HB3 GLU 79 2HB GLU 79 -2.975 -7.483 9.337 583 HG2 GLU 79 1HG GLU 79 -0.471 -8.077 10.892 584 HG3 GLU 79 2HG GLU 79 -2.122 -8.017 11.505 585 H VAL 80 H VAL 80 -3.487 -8.730 7.721 586 HA VAL 80 HA VAL 80 -3.887 -7.158 5.259 587 HB VAL 80 HB VAL 80 -5.202 -9.071 4.363 588 HG11 VAL 80 1HG1 VAL 80 -3.237 -10.477 3.803 589 HG12 VAL 80 2HG1 VAL 80 -2.940 -8.749 3.603 590 HG13 VAL 80 3HG1 VAL 80 -2.305 -9.596 5.014 591 HG21 VAL 80 1HG2 VAL 80 -5.826 -10.274 6.295 592 HG22 VAL 80 2HG2 VAL 80 -4.697 -11.318 5.430 593 HG23 VAL 80 3HG2 VAL 80 -4.155 -10.412 6.843 594 H GLY 81 H GLY 81 -5.894 -6.277 4.926 595 HA2 GLY 81 1HA GLY 81 -8.351 -6.772 5.707 596 HA3 GLY 81 2HA GLY 81 -7.669 -6.299 7.256 597 H GLU 82 H GLU 82 -8.701 -4.410 7.625 598 HA GLU 82 HA GLU 82 -8.645 -2.365 5.519 599 HB2 GLU 82 1HB GLU 82 -10.851 -2.862 6.454 600 HB3 GLU 82 2HB GLU 82 -10.261 -2.497 8.069 601 HG2 GLU 82 1HG GLU 82 -9.857 -0.179 7.387 602 HG3 GLU 82 2HG GLU 82 -10.484 -0.551 5.782 603 H HIS 83 H HIS 83 -6.688 -1.391 5.664 604 HA HIS 83 HA HIS 83 -5.628 -0.622 8.262 605 HB2 HIS 83 1HB HIS 83 -4.560 -0.730 5.478 606 HB3 HIS 83 2HB HIS 83 -3.807 0.385 6.614 607 HD1 HIS 83 1HD HIS 83 -4.865 -3.278 6.764 608 HD2 HIS 83 2HD HIS 83 -1.697 -0.795 7.797 609 HE1 HIS 83 1HE HIS 83 -3.140 -4.785 7.804 610 HE2 HIS 83 2HE HIS 83 -1.269 -3.247 8.497 611 H LEU 84 H LEU 84 -5.374 1.461 8.980 612 HA LEU 84 HA LEU 84 -6.751 3.537 7.406 613 HB2 LEU 84 1HB LEU 84 -6.708 2.919 10.318 614 HB3 LEU 84 2HB LEU 84 -6.883 4.599 9.815 615 HG LEU 84 HG LEU 84 -8.728 2.363 8.981 616 HD11 LEU 84 1HD1 LEU 84 -9.965 2.682 10.808 617 HD12 LEU 84 2HD1 LEU 84 -9.788 4.435 10.730 618 HD13 LEU 84 3HD1 LEU 84 -8.535 3.456 11.493 619 HD21 LEU 84 1HD2 LEU 84 -9.831 3.850 7.714 620 HD22 LEU 84 2HD2 LEU 84 -8.312 4.748 7.745 621 HD23 LEU 84 3HD2 LEU 84 -9.604 5.159 8.874 622 H VAL 85 H VAL 85 -5.416 4.991 6.579 623 HA VAL 85 HA VAL 85 -2.789 5.408 7.778 624 HB VAL 85 HB VAL 85 -3.858 6.619 5.230 625 HG11 VAL 85 1HG1 VAL 85 -1.050 6.137 5.244 626 HG12 VAL 85 2HG1 VAL 85 -1.909 7.675 5.132 627 HG13 VAL 85 3HG1 VAL 85 -1.482 7.014 6.711 628 HG21 VAL 85 1HG2 VAL 85 -2.946 3.899 5.816 629 HG22 VAL 85 2HG2 VAL 85 -3.892 4.511 4.460 630 HG23 VAL 85 3HG2 VAL 85 -2.135 4.657 4.446 631 H SER 86 H SER 86 -2.624 6.907 9.304 632 HA SER 86 HA SER 86 -4.510 9.081 9.498 633 HB2 SER 86 1HB SER 86 -2.042 8.943 11.183 634 HB3 SER 86 2HB SER 86 -3.674 9.443 11.627 635 HG SER 86 HG SER 86 -4.151 7.446 12.099 636 H ILE 87 H ILE 87 -4.300 10.768 8.183 637 HA ILE 87 HA ILE 87 -1.601 11.877 7.765 638 HB ILE 87 HB ILE 87 -3.856 12.138 5.784 639 HG12 ILE 87 1HG1 ILE 87 -3.423 9.794 5.866 640 HG13 ILE 87 2HG1 ILE 87 -2.562 10.410 4.458 641 HG21 ILE 87 1HG2 ILE 87 -1.843 12.559 4.265 642 HG22 ILE 87 2HG2 ILE 87 -2.272 13.821 5.418 643 HG23 ILE 87 3HG2 ILE 87 -0.917 12.745 5.755 644 HD11 ILE 87 1HD1 ILE 87 -1.552 9.068 6.810 645 HD12 ILE 87 2HD1 ILE 87 -0.786 9.344 5.245 646 HD13 ILE 87 3HD1 ILE 87 -0.709 10.584 6.497 647 H LYS 88 H LYS 88 -1.394 13.736 8.804 648 HA LYS 88 HA LYS 88 -3.657 15.619 8.788 649 HB2 LYS 88 1HB LYS 88 -1.788 15.560 11.119 650 HB3 LYS 88 2HB LYS 88 -3.461 16.100 11.042 651 HG2 LYS 88 1HG LYS 88 -4.276 13.879 11.066 652 HG3 LYS 88 2HG LYS 88 -2.665 13.213 10.791 653 HD2 LYS 88 1HD LYS 88 -1.985 14.208 12.995 654 HD3 LYS 88 2HD LYS 88 -3.684 14.599 13.267 655 HE2 LYS 88 1HE LYS 88 -4.121 12.111 12.818 656 HE3 LYS 88 2HE LYS 88 -2.386 11.902 13.047 657 HZ1 LYS 88 1HZ LYS 88 -4.390 12.841 15.008 658 HZ2 LYS 88 2HZ LYS 88 -2.734 13.104 15.234 659 HZ3 LYS 88 3HZ LYS 88 -3.333 11.525 15.134 660 H LYS 89 H LYS 89 -2.806 17.873 9.556 661 HA LYS 89 HA LYS 89 -0.185 18.383 8.316 662 HB2 LYS 89 1HB LYS 89 -2.040 19.009 6.785 663 HB3 LYS 89 2HB LYS 89 -2.646 20.114 8.012 664 HG2 LYS 89 1HG LYS 89 -0.539 21.375 7.889 665 HG3 LYS 89 2HG LYS 89 0.013 20.290 6.609 666 HD2 LYS 89 1HD LYS 89 -2.620 21.636 6.276 667 HD3 LYS 89 2HD LYS 89 -1.157 22.602 6.066 668 HE2 LYS 89 1HE LYS 89 -0.449 20.531 4.574 669 HE3 LYS 89 2HE LYS 89 -2.196 20.333 4.446 670 HZ1 LYS 89 1HZ LYS 89 -1.081 23.000 3.989 671 HZ2 LYS 89 2HZ LYS 89 -2.425 22.257 3.281 672 HZ3 LYS 89 3HZ LYS 89 -0.864 21.837 2.779 673 H ASN 90 H ASN 90 1.070 18.930 9.989 674 HA ASN 90 HA ASN 90 1.891 20.060 11.784 675 HB2 ASN 90 1HB ASN 90 -0.053 22.007 10.617 676 HB3 ASN 90 2HB ASN 90 0.650 22.361 12.192 677 HD21 ASN 90 1HD2 ASN 90 1.408 21.653 8.837 678 HD22 ASN 90 2HD2 ASN 90 2.941 22.450 8.821 679 H GLY 91 H GLY 91 -0.401 18.178 12.053 680 HA2 GLY 91 1HA GLY 91 -1.206 17.326 14.115 681 HA3 GLY 91 2HA GLY 91 -1.115 18.946 14.789 682 H ASN 92 H ASN 92 -2.507 18.784 11.685 683 HA ASN 92 HA ASN 92 -5.218 18.737 12.823 684 HB2 ASN 92 1HB ASN 92 -3.933 20.832 11.122 685 HB3 ASN 92 2HB ASN 92 -5.650 20.506 10.904 686 HD21 ASN 92 1HD2 ASN 92 -3.201 21.600 13.133 687 HD22 ASN 92 2HD2 ASN 92 -4.277 22.379 14.238 688 H HIS 93 H HIS 93 -5.936 16.836 12.044 689 HA HIS 93 HA HIS 93 -5.304 15.356 9.921 690 HB2 HIS 93 1HB HIS 93 -7.954 15.924 11.170 691 HB3 HIS 93 2HB HIS 93 -7.917 14.967 9.692 692 HD1 HIS 93 1HD HIS 93 -6.968 12.589 9.844 693 HD2 HIS 93 2HD HIS 93 -6.837 14.675 13.435 694 HE1 HIS 93 1HE HIS 93 -6.420 10.873 11.598 695 HE2 HIS 93 2HE HIS 93 -6.429 12.143 13.774 696 H VAL 94 H VAL 94 -5.671 15.238 7.726 697 HA VAL 94 HA VAL 94 -6.507 17.759 6.470 698 HB VAL 94 HB VAL 94 -5.349 16.907 4.446 699 HG11 VAL 94 1HG1 VAL 94 -3.528 17.965 5.164 700 HG12 VAL 94 2HG1 VAL 94 -4.247 17.959 6.776 701 HG13 VAL 94 3HG1 VAL 94 -3.146 16.667 6.296 702 HG21 VAL 94 1HG2 VAL 94 -5.604 14.456 5.471 703 HG22 VAL 94 2HG2 VAL 94 -4.352 14.872 4.301 704 HG23 VAL 94 3HG2 VAL 94 -3.966 14.815 6.021 705 H ALA 95 H ALA 95 -7.238 17.159 4.028 706 HA ALA 95 HA ALA 95 -9.802 15.945 4.343 707 HB1 ALA 95 1HB ALA 95 -9.745 16.260 1.734 708 HB2 ALA 95 2HB ALA 95 -9.897 17.647 2.813 709 HB3 ALA 95 3HB ALA 95 -8.331 17.248 2.106 710 H ASN 96 H ASN 96 -10.595 14.043 3.464 711 HA ASN 96 HA ASN 96 -10.578 11.880 2.757 712 HB2 ASN 96 1HB ASN 96 -7.981 12.626 1.391 713 HB3 ASN 96 2HB ASN 96 -8.969 11.209 1.044 714 HD21 ASN 96 1HD2 ASN 96 -8.410 14.478 0.377 715 HD22 ASN 96 2HD2 ASN 96 -9.759 14.746 -0.667 716 H SER 97 H SER 97 -9.169 12.801 5.222 717 HA SER 97 HA SER 97 -7.521 10.392 5.619 718 HB2 SER 97 1HB SER 97 -5.959 12.197 5.575 719 HB3 SER 97 2HB SER 97 -6.992 13.204 6.589 720 HG SER 97 HG SER 97 -6.657 11.585 8.255 721 HA PRO 98 HA PRO 98 -6.430 9.500 7.372 722 HB2 PRO 98 1HB PRO 98 -7.053 7.020 8.283 723 HB3 PRO 98 2HB PRO 98 -6.502 8.322 9.343 724 HG2 PRO 98 1HG PRO 98 -9.287 7.358 8.817 725 HG3 PRO 98 2HG PRO 98 -8.530 7.803 10.357 726 HD2 PRO 98 1HD PRO 98 -10.187 9.470 9.011 727 HD3 PRO 98 2HD PRO 98 -8.833 10.060 9.996 728 H VAL 99 H VAL 99 -5.811 8.203 5.670 729 HA VAL 99 HA VAL 99 -7.776 7.709 3.647 730 HB VAL 99 HB VAL 99 -4.951 6.682 3.561 731 HG11 VAL 99 1HG1 VAL 99 -5.182 6.739 1.251 732 HG12 VAL 99 2HG1 VAL 99 -6.775 6.207 1.792 733 HG13 VAL 99 3HG1 VAL 99 -6.520 7.885 1.312 734 HG21 VAL 99 1HG2 VAL 99 -5.923 9.502 3.391 735 HG22 VAL 99 2HG2 VAL 99 -4.474 8.859 4.162 736 HG23 VAL 99 3HG2 VAL 99 -4.553 8.988 2.405 737 H SER 100 H SER 100 -8.838 5.887 3.198 738 HA SER 100 HA SER 100 -8.357 3.552 4.869 739 HB2 SER 100 1HB SER 100 -10.517 2.818 4.258 740 HB3 SER 100 2HB SER 100 -10.671 4.570 4.400 741 HG SER 100 HG SER 100 -10.356 3.072 2.010 742 H ILE 101 H ILE 101 -7.211 1.869 4.208 743 HA ILE 101 HA ILE 101 -6.966 1.376 1.313 744 HB ILE 101 HB ILE 101 -4.801 1.111 3.401 745 HG12 ILE 101 1HG1 ILE 101 -4.893 2.803 0.897 746 HG13 ILE 101 2HG1 ILE 101 -5.283 3.405 2.504 747 HG21 ILE 101 1HG2 ILE 101 -4.799 -0.753 1.772 748 HG22 ILE 101 2HG2 ILE 101 -4.659 0.428 0.469 749 HG23 ILE 101 3HG2 ILE 101 -3.366 0.269 1.658 750 HD11 ILE 101 1HD1 ILE 101 -2.678 2.807 1.285 751 HD12 ILE 101 2HD1 ILE 101 -3.126 4.018 2.487 752 HD13 ILE 101 3HD1 ILE 101 -2.862 2.344 2.976 753 H MET 102 H MET 102 -6.902 -0.768 0.642 754 HA MET 102 HA MET 102 -7.750 -2.715 2.680 755 HB2 MET 102 1HB MET 102 -9.327 -2.168 0.780 756 HB3 MET 102 2HB MET 102 -8.165 -2.921 -0.303 757 HG2 MET 102 1HG MET 102 -9.524 -4.694 0.056 758 HG3 MET 102 2HG MET 102 -8.410 -4.920 1.404 759 HE1 MET 102 1HE MET 102 -11.257 -6.166 3.253 760 HE2 MET 102 2HE MET 102 -9.662 -6.357 2.528 761 HE3 MET 102 3HE MET 102 -9.845 -5.450 4.030 762 H VAL 103 H VAL 103 -6.461 -4.378 3.132 763 HA VAL 103 HA VAL 103 -4.288 -5.014 1.242 764 HB VAL 103 HB VAL 103 -4.182 -5.267 4.251 765 HG11 VAL 103 1HG1 VAL 103 -1.916 -5.896 3.997 766 HG12 VAL 103 2HG1 VAL 103 -2.826 -6.878 2.847 767 HG13 VAL 103 3HG1 VAL 103 -1.914 -5.477 2.284 768 HG21 VAL 103 1HG2 VAL 103 -2.687 -3.369 4.229 769 HG22 VAL 103 2HG2 VAL 103 -2.809 -3.252 2.473 770 HG23 VAL 103 3HG2 VAL 103 -4.219 -2.919 3.479 771 H VAL 104 H VAL 104 -3.877 -7.139 0.795 772 HA VAL 104 HA VAL 104 -5.173 -9.251 2.294 773 HB VAL 104 HB VAL 104 -6.298 -10.226 0.331 774 HG11 VAL 104 1HG1 VAL 104 -7.486 -8.754 1.962 775 HG12 VAL 104 2HG1 VAL 104 -7.258 -7.415 0.836 776 HG13 VAL 104 3HG1 VAL 104 -8.224 -8.812 0.362 777 HG21 VAL 104 1HG2 VAL 104 -6.720 -8.670 -1.618 778 HG22 VAL 104 2HG2 VAL 104 -5.407 -7.673 -0.990 779 HG23 VAL 104 3HG2 VAL 104 -5.090 -9.331 -1.497 780 H GLN 105 H GLN 105 -4.442 -11.375 1.682 781 HA GLN 105 HA GLN 105 -1.698 -11.373 0.854 782 HB2 GLN 105 1HB GLN 105 -3.626 -13.477 1.776 783 HB3 GLN 105 2HB GLN 105 -2.079 -13.939 1.077 784 HG2 GLN 105 1HG GLN 105 -1.029 -12.384 2.801 785 HG3 GLN 105 2HG GLN 105 -2.605 -12.392 3.589 786 HE21 GLN 105 1HE2 GLN 105 0.230 -14.221 2.827 787 HE22 GLN 105 2HE2 GLN 105 -0.113 -15.575 3.843 788 H SER 106 H SER 106 -0.882 -11.769 -1.101 789 HA SER 106 HA SER 106 -2.664 -12.145 -3.328 790 HB2 SER 106 1HB SER 106 -0.782 -11.732 -4.712 791 HB3 SER 106 2HB SER 106 -0.560 -10.691 -3.306 792 HG SER 106 HG SER 106 0.802 -12.397 -2.456 793 H GLU 107 H GLU 107 -0.124 -14.037 -1.742 794 HA GLU 107 HA GLU 107 -1.036 -16.390 -3.265 795 HB2 GLU 107 1HB GLU 107 1.686 -15.589 -2.289 796 HB3 GLU 107 2HB GLU 107 1.307 -17.281 -2.573 797 HG2 GLU 107 1HG GLU 107 0.729 -15.301 -4.716 798 HG3 GLU 107 2HG GLU 107 2.396 -15.804 -4.438 799 H ILE 108 H ILE 108 -1.993 -17.940 -2.135 800 HA ILE 108 HA ILE 108 -2.738 -17.857 0.468 801 HB ILE 108 HB ILE 108 -2.045 -20.353 -1.084 802 HG12 ILE 108 1HG1 ILE 108 -4.817 -19.328 -0.610 803 HG13 ILE 108 2HG1 ILE 108 -3.840 -18.601 -1.879 804 HG21 ILE 108 1HG2 ILE 108 -2.218 -21.220 1.019 805 HG22 ILE 108 2HG2 ILE 108 -3.273 -19.927 1.585 806 HG23 ILE 108 3HG2 ILE 108 -3.923 -21.212 0.569 807 HD11 ILE 108 1HD1 ILE 108 -3.813 -21.498 -1.980 808 HD12 ILE 108 2HD1 ILE 108 -5.435 -20.822 -2.125 809 HD13 ILE 108 3HD1 ILE 108 -4.166 -20.320 -3.243 810 H GLY 109 H GLY 109 0.063 -19.758 -0.678 811 HA2 GLY 109 1HA GLY 109 2.110 -19.128 0.794 812 HA3 GLY 109 2HA GLY 109 1.090 -19.767 2.075 813 H ASP 110 H ASP 110 2.868 -20.560 -0.845 814 HA ASP 110 HA ASP 110 2.413 -23.401 -0.526 815 HB2 ASP 110 1HB ASP 110 4.176 -21.858 -2.440 816 HB3 ASP 110 2HB ASP 110 3.939 -23.602 -2.484 817 H SER 111 H SER 111 3.706 -24.812 0.482 818 HA SER 111 HA SER 111 5.996 -23.785 1.931 819 HB2 SER 111 1HB SER 111 6.028 -26.086 2.939 820 HB3 SER 111 2HB SER 111 4.506 -25.225 3.161 821 HG SER 111 HG SER 111 4.848 -26.926 0.950 822 H GLY 112 H GLY 112 8.062 -24.931 1.947 823 HA2 GLY 112 1HA GLY 112 8.677 -26.612 -0.337 824 HA3 GLY 112 2HA GLY 112 9.414 -25.017 -0.370 825 HA PRO 113 HA PRO 113 12.387 -27.798 1.777 826 HB2 PRO 113 1HB PRO 113 14.584 -26.685 0.635 827 HB3 PRO 113 2HB PRO 113 13.644 -27.967 -0.138 828 HG2 PRO 113 1HG PRO 113 13.563 -25.012 -0.611 829 HG3 PRO 113 2HG PRO 113 13.538 -26.335 -1.791 830 HD2 PRO 113 1HD PRO 113 11.297 -25.018 -1.031 831 HD3 PRO 113 2HD PRO 113 11.289 -26.735 -1.484 832 H SER 114 H SER 114 12.149 -26.952 3.823 833 HA SER 114 HA SER 114 12.555 -24.308 4.601 834 HB2 SER 114 1HB SER 114 12.897 -26.861 6.189 835 HB3 SER 114 2HB SER 114 12.870 -25.248 6.899 836 HG SER 114 HG SER 114 10.769 -25.090 6.513 837 H SER 115 H SER 115 14.297 -23.340 5.797 838 HA SER 115 HA SER 115 16.890 -24.561 5.844 839 HB2 SER 115 1HB SER 115 17.071 -24.020 3.558 840 HB3 SER 115 2HB SER 115 16.240 -22.479 3.767 841 HG SER 115 HG SER 115 18.636 -22.895 5.147 842 H GLY 116 H GLY 116 18.116 -23.661 7.400 843 HA2 GLY 116 1HA GLY 116 18.509 -21.098 8.140 844 HA3 GLY 116 2HA GLY 116 16.978 -21.476 8.919
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