NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632889 | 6e5c | 30495 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 1H THR 1 1.860 -1.641 -2.832 2 H2 THR 1 2H THR 1 1.601 -0.066 -2.490 3 H3 THR 1 3H THR 1 2.389 -0.486 -3.857 4 HA THR 1 HA THR 1 3.326 -0.896 -1.130 5 HB THR 1 HB THR 1 4.667 -1.515 -3.799 6 HG1 THR 1 HG1 THR 1 3.518 -3.079 -1.730 7 HG21 THR 1 1HG2 THR 1 6.526 -2.345 -2.413 8 HG22 THR 1 2HG2 THR 1 6.253 -0.609 -2.136 9 HG23 THR 1 3HG2 THR 1 5.682 -1.800 -0.945 10 H ARG 2 H ARG 2 4.554 0.656 -0.277 11 HA ARG 2 HA ARG 2 5.683 2.762 -1.994 12 HB2 ARG 2 1HB ARG 2 4.565 4.593 -0.851 13 HB3 ARG 2 2HB ARG 2 3.370 3.541 -1.596 14 HG2 ARG 2 1HG ARG 2 2.909 2.510 0.591 15 HG3 ARG 2 2HG ARG 2 4.110 3.588 1.341 16 HD2 ARG 2 1HD ARG 2 2.824 5.517 0.652 17 HD3 ARG 2 2HD ARG 2 1.634 4.453 -0.134 18 HE ARG 2 HE ARG 2 1.846 3.607 2.520 19 HH11 ARG 2 1HH1 ARG 2 0.862 6.493 0.774 20 HH12 ARG 2 2HH1 ARG 2 -0.287 6.991 1.994 21 HH21 ARG 2 1HH2 ARG 2 0.350 4.265 4.097 22 HH22 ARG 2 2HH2 ARG 2 -0.578 5.731 3.875 23 H GLU 3 H GLU 3 7.002 4.311 -0.758 24 HA GLU 3 HA GLU 3 7.789 3.306 1.934 25 HB2 GLU 3 1HB GLU 3 9.688 4.020 -0.336 26 HB3 GLU 3 2HB GLU 3 10.186 3.764 1.330 27 HG2 GLU 3 1HG GLU 3 9.207 1.441 1.166 28 HG3 GLU 3 2HG GLU 3 8.987 1.734 -0.558 29 H THR 4 H THR 4 8.470 4.846 3.395 30 HA THR 4 HA THR 4 9.031 7.563 2.357 31 HB THR 4 HB THR 4 6.623 7.547 3.112 32 HG1 THR 4 HG1 THR 4 7.072 9.550 3.590 33 HG21 THR 4 1HG2 THR 4 6.181 7.427 5.532 34 HG22 THR 4 2HG2 THR 4 6.858 5.894 4.933 35 HG23 THR 4 3HG2 THR 4 7.890 7.031 5.830 36 H LYS 5 H LYS 5 9.428 8.889 4.704 37 HA LYS 5 HA LYS 5 11.366 7.300 6.261 38 HB2 LYS 5 1HB LYS 5 12.602 8.100 4.220 39 HB3 LYS 5 2HB LYS 5 12.241 9.755 4.689 40 HG2 LYS 5 1HG LYS 5 13.561 9.545 6.704 41 HG3 LYS 5 2HG LYS 5 13.797 7.814 6.421 42 HD2 LYS 5 1HD LYS 5 14.959 8.378 4.267 43 HD3 LYS 5 2HD LYS 5 14.822 10.092 4.687 44 HE2 LYS 5 1HE LYS 5 16.120 9.687 6.755 45 HE3 LYS 5 2HE LYS 5 16.258 7.978 6.336 46 HZ1 LYS 5 1HZ LYS 5 18.205 9.202 5.705 47 HZ2 LYS 5 2HZ LYS 5 17.453 8.619 4.356 48 HZ3 LYS 5 3HZ LYS 5 17.325 10.217 4.749 49 H VAL 6 H VAL 6 11.516 7.940 8.298 50 HA VAL 6 HA VAL 6 10.588 10.700 8.957 51 HB VAL 6 HB VAL 6 9.473 9.839 10.965 52 HG11 VAL 6 1HG1 VAL 6 7.607 8.663 9.906 53 HG12 VAL 6 2HG1 VAL 6 8.157 10.049 8.935 54 HG13 VAL 6 3HG1 VAL 6 8.599 8.393 8.454 55 HG21 VAL 6 1HG2 VAL 6 9.221 7.400 11.303 56 HG22 VAL 6 2HG2 VAL 6 10.270 7.099 9.896 57 HG23 VAL 6 3HG2 VAL 6 10.933 7.883 11.350 58 H THR 7 H THR 7 11.405 11.553 10.965 59 HA THR 7 HA THR 7 13.906 10.193 11.878 60 HB THR 7 HB THR 7 13.412 13.191 11.625 61 HG1 THR 7 HG1 THR 7 15.513 11.928 10.311 62 HG21 THR 7 1HG2 THR 7 15.771 13.395 12.310 63 HG22 THR 7 2HG2 THR 7 14.805 12.608 13.582 64 HG23 THR 7 3HG2 THR 7 15.862 11.633 12.534 65 H VAL 8 H VAL 8 14.201 9.912 13.995 66 HA VAL 8 HA VAL 8 12.187 11.162 15.815 67 HB VAL 8 HB VAL 8 13.407 8.374 16.005 68 HG11 VAL 8 1HG1 VAL 8 11.891 8.061 17.901 69 HG12 VAL 8 2HG1 VAL 8 13.071 9.360 18.198 70 HG13 VAL 8 3HG1 VAL 8 11.388 9.763 17.778 71 HG21 VAL 8 1HG2 VAL 8 11.089 7.612 15.596 72 HG22 VAL 8 2HG2 VAL 8 10.569 9.303 15.400 73 HG23 VAL 8 3HG2 VAL 8 11.699 8.577 14.232 74 H ASN 9 H ASN 9 12.963 12.283 17.470 75 HA ASN 9 HA ASN 9 15.851 12.479 17.847 76 HB2 ASN 9 1HB ASN 9 13.487 13.756 19.255 77 HB3 ASN 9 2HB ASN 9 15.158 14.058 19.713 78 HD21 ASN 9 1HD2 ASN 9 13.825 16.590 17.244 79 HD22 ASN 9 2HD2 ASN 9 13.161 15.906 18.690 80 HA PRO 10 HA PRO 10 16.742 9.642 20.949 81 HB2 PRO 10 1HB PRO 10 17.697 12.029 22.591 82 HB3 PRO 10 2HB PRO 10 18.509 10.484 22.309 83 HG2 PRO 10 1HG PRO 10 19.312 12.581 20.896 84 HG3 PRO 10 2HG PRO 10 19.088 11.041 20.061 85 HD2 PRO 10 1HD PRO 10 17.246 13.460 20.153 86 HD3 PRO 10 2HD PRO 10 17.671 12.403 18.748 87 H GLY 11 H GLY 11 15.433 8.697 22.404 88 HA2 GLY 11 1HA GLY 11 14.214 8.533 24.430 89 HA3 GLY 11 2HA GLY 11 14.180 10.282 24.554 90 H GLU 12 H GLU 12 13.323 10.393 21.619 91 HA GLU 12 HA GLU 12 10.471 10.461 22.294 92 HB2 GLU 12 1HB GLU 12 11.985 11.280 19.783 93 HB3 GLU 12 2HB GLU 12 10.258 11.507 20.019 94 HG2 GLU 12 1HG GLU 12 12.411 12.718 21.769 95 HG3 GLU 12 2HG GLU 12 11.615 13.538 20.428 96 H GLU 13 H GLU 13 8.873 9.766 20.579 97 HA GLU 13 HA GLU 13 9.675 7.105 19.493 98 HB2 GLU 13 1HB GLU 13 7.185 7.714 21.139 99 HB3 GLU 13 2HB GLU 13 7.485 6.200 20.297 100 HG2 GLU 13 1HG GLU 13 9.522 5.871 21.689 101 HG3 GLU 13 2HG GLU 13 9.117 7.339 22.574 102 H TYR 14 H TYR 14 8.252 6.252 17.855 103 HA TYR 14 HA TYR 14 6.237 8.110 16.758 104 HB2 TYR 14 1HB TYR 14 8.344 8.730 15.594 105 HB3 TYR 14 2HB TYR 14 8.553 7.062 15.081 106 HD1 TYR 14 HD1 TYR 14 6.428 10.073 14.721 107 HD2 TYR 14 HD2 TYR 14 7.384 6.172 13.214 108 HE1 TYR 14 HE1 TYR 14 5.088 10.527 12.696 109 HE2 TYR 14 HE2 TYR 14 6.044 6.626 11.187 110 HH TYR 14 HH TYR 14 4.789 8.094 10.103 111 H GLU 15 H GLU 15 4.573 7.140 15.739 112 HA GLU 15 HA GLU 15 4.564 4.175 15.960 113 HB2 GLU 15 1HB GLU 15 2.302 6.201 15.753 114 HB3 GLU 15 2HB GLU 15 2.061 4.460 15.763 115 HG2 GLU 15 1HG GLU 15 3.103 4.340 18.001 116 HG3 GLU 15 2HG GLU 15 3.302 6.091 17.989 117 H VAL 16 H VAL 16 4.343 2.854 14.273 118 HA VAL 16 HA VAL 16 3.851 4.114 11.610 119 HB VAL 16 HB VAL 16 5.215 1.472 12.285 120 HG11 VAL 16 1HG1 VAL 16 5.782 1.392 9.906 121 HG12 VAL 16 2HG1 VAL 16 4.023 1.356 10.173 122 HG13 VAL 16 3HG1 VAL 16 4.810 2.856 9.626 123 HG21 VAL 16 1HG2 VAL 16 7.256 2.616 11.481 124 HG22 VAL 16 2HG2 VAL 16 6.325 4.116 11.257 125 HG23 VAL 16 3HG2 VAL 16 6.562 3.452 12.891 126 H LYS 17 H LYS 17 2.002 3.699 10.623 127 HA LYS 17 HA LYS 17 0.128 1.847 11.920 128 HB2 LYS 17 1HB LYS 17 -0.574 4.126 11.171 129 HB3 LYS 17 2HB LYS 17 -0.261 3.660 9.505 130 HG2 LYS 17 1HG LYS 17 -2.014 1.966 9.606 131 HG3 LYS 17 2HG LYS 17 -2.289 2.319 11.318 132 HD2 LYS 17 1HD LYS 17 -2.934 4.637 10.739 133 HD3 LYS 17 2HD LYS 17 -2.653 4.287 9.027 134 HE2 LYS 17 1HE LYS 17 -4.399 2.525 9.112 135 HE3 LYS 17 2HE LYS 17 -4.693 2.906 10.811 136 HZ1 LYS 17 1HZ LYS 17 -6.261 3.992 9.379 137 HZ2 LYS 17 2HZ LYS 17 -5.331 5.121 10.143 138 HZ3 LYS 17 3HZ LYS 17 -5.058 4.764 8.556 139 H VAL 18 H VAL 18 -0.524 -0.082 11.224 140 HA VAL 18 HA VAL 18 0.067 -0.787 8.384 141 HB VAL 18 HB VAL 18 1.612 -2.019 9.871 142 HG11 VAL 18 1HG1 VAL 18 0.759 -3.627 11.507 143 HG12 VAL 18 2HG1 VAL 18 0.299 -1.957 11.912 144 HG13 VAL 18 3HG1 VAL 18 -0.900 -3.061 11.197 145 HG21 VAL 18 1HG2 VAL 18 1.019 -4.305 9.134 146 HG22 VAL 18 2HG2 VAL 18 -0.629 -3.752 8.749 147 HG23 VAL 18 3HG2 VAL 18 0.759 -3.121 7.831 148 H ASN 19 H ASN 19 -1.552 -1.694 7.246 149 HA ASN 19 HA ASN 19 -4.192 -1.749 8.579 150 HB2 ASN 19 1HB ASN 19 -3.367 -1.875 5.661 151 HB3 ASN 19 2HB ASN 19 -5.032 -2.002 6.215 152 HD21 ASN 19 1HD2 ASN 19 -3.719 1.550 5.405 153 HD22 ASN 19 2HD2 ASN 19 -3.263 0.040 4.692 154 HA PRO 20 HA PRO 20 -4.700 -6.038 8.973 155 HB2 PRO 20 1HB PRO 20 -7.309 -5.565 7.471 156 HB3 PRO 20 2HB PRO 20 -7.035 -6.491 8.953 157 HG2 PRO 20 1HG PRO 20 -8.067 -4.059 9.186 158 HG3 PRO 20 2HG PRO 20 -6.775 -4.532 10.293 159 HD2 PRO 20 1HD PRO 20 -6.617 -2.812 7.787 160 HD3 PRO 20 2HD PRO 20 -5.819 -2.564 9.393 161 H GLY 21 H GLY 21 -3.871 -7.642 7.759 162 HA2 GLY 21 1HA GLY 21 -3.780 -9.114 5.904 163 HA3 GLY 21 2HA GLY 21 -4.684 -7.961 4.940 164 H THR 22 H THR 22 -2.554 -5.978 6.293 165 HA THR 22 HA THR 22 -0.578 -6.360 4.088 166 HB THR 22 HB THR 22 -0.171 -3.976 4.154 167 HG1 THR 22 HG1 THR 22 -1.464 -4.205 6.614 168 HG21 THR 22 1HG2 THR 22 -2.405 -3.085 3.625 169 HG22 THR 22 2HG2 THR 22 -2.177 -4.697 2.905 170 HG23 THR 22 3HG2 THR 22 -3.159 -4.509 4.377 171 H ARG 23 H ARG 23 1.608 -5.325 4.604 172 HA ARG 23 HA ARG 23 2.362 -5.705 7.451 173 HB2 ARG 23 1HB ARG 23 4.267 -7.091 6.886 174 HB3 ARG 23 2HB ARG 23 2.800 -7.859 6.297 175 HG2 ARG 23 1HG ARG 23 3.294 -7.033 4.018 176 HG3 ARG 23 2HG ARG 23 4.805 -6.318 4.631 177 HD2 ARG 23 1HD ARG 23 5.533 -8.538 5.354 178 HD3 ARG 23 2HD ARG 23 4.046 -9.230 4.664 179 HE ARG 23 HE ARG 23 5.380 -7.693 2.687 180 HH11 ARG 23 1HH1 ARG 23 5.703 -10.697 4.480 181 HH12 ARG 23 2HH1 ARG 23 6.608 -11.500 3.216 182 HH21 ARG 23 1HH2 ARG 23 6.554 -8.745 1.054 183 HH22 ARG 23 2HH2 ARG 23 7.090 -10.396 1.276 184 H VAL 24 H VAL 24 4.443 -4.795 7.997 185 HA VAL 24 HA VAL 24 5.398 -2.772 6.018 186 HB VAL 24 HB VAL 24 5.718 -1.169 7.866 187 HG11 VAL 24 1HG1 VAL 24 3.368 -0.636 8.290 188 HG12 VAL 24 2HG1 VAL 24 3.654 -1.078 6.590 189 HG13 VAL 24 3HG1 VAL 24 2.897 -2.247 7.699 190 HG21 VAL 24 1HG2 VAL 24 4.744 -1.649 10.089 191 HG22 VAL 24 2HG2 VAL 24 4.321 -3.291 9.548 192 HG23 VAL 24 3HG2 VAL 24 6.029 -2.810 9.686 193 H GLU 25 H GLU 25 7.599 -2.038 6.359 194 HA GLU 25 HA GLU 25 9.183 -3.643 8.295 195 HB2 GLU 25 1HB GLU 25 9.449 -4.703 6.057 196 HB3 GLU 25 2HB GLU 25 9.990 -3.167 5.395 197 HG2 GLU 25 1HG GLU 25 11.960 -3.193 6.811 198 HG3 GLU 25 2HG GLU 25 11.399 -4.654 7.621 199 H ILE 26 H ILE 26 10.619 -2.507 9.424 200 HA ILE 26 HA ILE 26 11.191 0.274 8.492 201 HB ILE 26 HB ILE 26 10.847 -0.717 11.355 202 HG12 ILE 26 1HG1 ILE 26 9.064 1.306 11.001 203 HG13 ILE 26 2HG1 ILE 26 9.042 0.574 9.403 204 HG21 ILE 26 1HG2 ILE 26 11.154 1.647 11.970 205 HG22 ILE 26 2HG2 ILE 26 12.602 1.004 11.163 206 HG23 ILE 26 3HG2 ILE 26 11.478 2.053 10.268 207 HD11 ILE 26 1HD1 ILE 26 7.322 -0.383 10.831 208 HD12 ILE 26 2HD1 ILE 26 8.534 -1.614 10.399 209 HD13 ILE 26 3HD1 ILE 26 8.554 -0.872 12.017 210 H GLN 27 H GLN 27 13.231 0.641 8.024 211 HA GLN 27 HA GLN 27 15.314 -1.048 9.318 212 HB2 GLN 27 1HB GLN 27 15.300 -0.894 6.820 213 HB3 GLN 27 2HB GLN 27 15.549 0.842 6.942 214 HG2 GLN 27 1HG GLN 27 17.709 0.512 7.989 215 HG3 GLN 27 2HG GLN 27 17.453 -1.255 8.004 216 HE21 GLN 27 1HE2 GLN 27 19.348 -1.319 5.064 217 HE22 GLN 27 2HE2 GLN 27 19.265 -1.704 6.750 218 H ALA 28 H ALA 28 16.719 -0.273 10.750 219 HA ALA 28 HA ALA 28 16.222 2.542 11.574 220 HB1 ALA 28 1HB ALA 28 17.016 1.819 13.803 221 HB2 ALA 28 2HB ALA 28 15.638 0.842 13.245 222 HB3 ALA 28 3HB ALA 28 17.288 0.182 13.166 223 H LYS 29 H LYS 29 17.707 3.995 11.168 224 HA LYS 29 HA LYS 29 20.468 3.208 10.583 225 HB2 LYS 29 1HB LYS 29 19.316 5.078 9.378 226 HB3 LYS 29 2HB LYS 29 19.253 5.983 10.884 227 HG2 LYS 29 1HG LYS 29 21.718 6.014 10.977 228 HG3 LYS 29 2HG LYS 29 21.782 5.103 9.462 229 HD2 LYS 29 1HD LYS 29 20.520 6.946 8.340 230 HD3 LYS 29 2HD LYS 29 20.570 7.864 9.852 231 HE2 LYS 29 1HE LYS 29 23.068 7.765 9.782 232 HE3 LYS 29 2HE LYS 29 22.967 6.948 8.220 233 HZ1 LYS 29 1HZ LYS 29 23.312 9.294 7.968 234 HZ2 LYS 29 2HZ LYS 29 21.840 8.880 7.349 235 HZ3 LYS 29 3HZ LYS 29 21.937 9.644 8.808 236 H GLY 30 H GLY 30 20.494 2.156 12.826 237 HA2 GLY 30 1HA GLY 30 22.171 2.852 14.668 238 HA3 GLY 30 2HA GLY 30 21.070 4.187 14.949 239 HA PRO 31 HA PRO 31 20.010 0.303 17.471 240 HB2 PRO 31 1HB PRO 31 20.341 2.414 19.631 241 HB3 PRO 31 2HB PRO 31 20.748 0.693 19.685 242 HG2 PRO 31 1HG PRO 31 22.725 2.440 19.352 243 HG3 PRO 31 2HG PRO 31 22.715 0.972 18.371 244 HD2 PRO 31 1HD PRO 31 21.822 3.787 17.617 245 HD3 PRO 31 2HD PRO 31 22.815 2.614 16.661 246 H ALA 32 H ALA 32 17.893 -0.069 17.926 247 HA ALA 32 HA ALA 32 16.104 2.144 18.645 248 HB1 ALA 32 1HB ALA 32 14.548 1.708 16.773 249 HB2 ALA 32 2HB ALA 32 16.127 2.290 16.196 250 HB3 ALA 32 3HB ALA 32 15.718 0.563 16.078 251 H GLU 33 H GLU 33 14.116 1.498 19.495 252 HA GLU 33 HA GLU 33 13.880 -1.445 19.963 253 HB2 GLU 33 1HB GLU 33 14.305 -0.182 22.041 254 HB3 GLU 33 2HB GLU 33 12.934 0.865 21.708 255 HG2 GLU 33 1HG GLU 33 11.392 -0.990 21.956 256 HG3 GLU 33 2HG GLU 33 12.731 -2.122 22.144 257 H PHE 34 H PHE 34 11.986 -2.464 19.580 258 HA PHE 34 HA PHE 34 9.809 -0.779 18.411 259 HB2 PHE 34 1HB PHE 34 10.774 -3.527 17.531 260 HB3 PHE 34 2HB PHE 34 9.308 -2.762 16.940 261 HD1 PHE 34 HD1 PHE 34 12.982 -2.176 17.241 262 HD2 PHE 34 HD2 PHE 34 9.388 -1.405 15.064 263 HE1 PHE 34 HE1 PHE 34 14.292 -1.024 15.489 264 HE2 PHE 34 HE2 PHE 34 10.694 -0.255 13.309 265 HZ PHE 34 HZ PHE 34 13.148 -0.063 13.522 266 H GLU 35 H GLU 35 7.704 -1.301 18.875 267 HA GLU 35 HA GLU 35 7.231 -3.758 20.484 268 HB2 GLU 35 1HB GLU 35 7.375 -1.813 22.048 269 HB3 GLU 35 2HB GLU 35 6.084 -1.018 21.161 270 HG2 GLU 35 1HG GLU 35 4.549 -2.852 21.742 271 HG3 GLU 35 2HG GLU 35 5.845 -3.655 22.627 272 H GLY 36 H GLY 36 5.485 -4.886 19.913 273 HA2 GLY 36 1HA GLY 36 3.006 -3.881 19.088 274 HA3 GLY 36 2HA GLY 36 3.919 -4.101 17.607 275 H GLY 37 H GLY 37 1.526 -5.518 18.603 276 HA2 GLY 37 1HA GLY 37 0.731 -7.685 18.271 277 HA3 GLY 37 2HA GLY 37 2.354 -8.188 17.834 278 H GLY 38 H GLY 38 2.284 -6.504 20.794 279 HA2 GLY 38 1HA GLY 38 2.222 -7.254 23.032 280 HA3 GLY 38 2HA GLY 38 1.842 -8.875 22.481 281 H THR 39 H THR 39 4.377 -7.668 20.639 282 HA THR 39 HA THR 39 6.377 -9.000 22.417 283 HB THR 39 HB THR 39 7.561 -9.759 20.416 284 HG1 THR 39 HG1 THR 39 5.624 -8.147 19.130 285 HG21 THR 39 1HG2 THR 39 5.886 -11.324 19.512 286 HG22 THR 39 2HG2 THR 39 5.745 -11.194 21.282 287 HG23 THR 39 3HG2 THR 39 4.582 -10.352 20.232 288 H ARG 40 H ARG 40 8.639 -8.324 22.043 289 HA ARG 40 HA ARG 40 8.849 -5.531 21.023 290 HB2 ARG 40 1HB ARG 40 9.889 -6.595 23.665 291 HB3 ARG 40 2HB ARG 40 10.487 -5.116 22.928 292 HG2 ARG 40 1HG ARG 40 8.215 -4.155 23.024 293 HG3 ARG 40 2HG ARG 40 7.638 -5.645 23.809 294 HD2 ARG 40 1HD ARG 40 9.105 -5.281 25.667 295 HD3 ARG 40 2HD ARG 40 9.814 -3.859 24.869 296 HE ARG 40 HE ARG 40 7.094 -3.358 24.988 297 HH11 ARG 40 1HH1 ARG 40 9.657 -4.032 27.294 298 HH12 ARG 40 2HH1 ARG 40 8.918 -3.101 28.578 299 HH21 ARG 40 1HH2 ARG 40 6.145 -2.151 26.662 300 HH22 ARG 40 2HH2 ARG 40 6.930 -2.037 28.221 301 H THR 41 H THR 41 10.730 -5.010 19.998 302 HA THR 41 HA THR 41 12.920 -7.008 19.987 303 HB THR 41 HB THR 41 11.554 -5.991 17.457 304 HG1 THR 41 HG1 THR 41 11.450 -8.342 18.947 305 HG21 THR 41 1HG2 THR 41 13.209 -7.381 16.275 306 HG22 THR 41 2HG2 THR 41 14.010 -6.102 17.217 307 HG23 THR 41 3HG2 THR 41 13.992 -7.774 17.823 308 H ARG 42 H ARG 42 14.905 -6.153 19.870 309 HA ARG 42 HA ARG 42 15.094 -3.254 19.165 310 HB2 ARG 42 1HB ARG 42 16.805 -4.998 20.956 311 HB3 ARG 42 2HB ARG 42 17.346 -3.433 20.371 312 HG2 ARG 42 1HG ARG 42 15.321 -2.407 21.444 313 HG3 ARG 42 2HG ARG 42 14.977 -3.999 22.163 314 HD2 ARG 42 1HD ARG 42 17.045 -3.981 23.337 315 HD3 ARG 42 2HD ARG 42 17.560 -2.498 22.501 316 HE ARG 42 HE ARG 42 15.098 -2.029 23.831 317 HH11 ARG 42 1HH1 ARG 42 18.501 -2.579 24.509 318 HH12 ARG 42 2HH1 ARG 42 18.479 -1.672 26.005 319 HH21 ARG 42 1HH2 ARG 42 15.082 -0.853 25.774 320 HH22 ARG 42 2HH2 ARG 42 16.544 -0.695 26.722 321 H LEU 43 H LEU 43 16.597 -2.557 17.696 322 HA LEU 43 HA LEU 43 17.771 -4.731 16.020 323 HB2 LEU 43 1HB LEU 43 17.014 -1.882 15.275 324 HB3 LEU 43 2HB LEU 43 17.730 -3.071 14.181 325 HG LEU 43 HG LEU 43 14.978 -3.214 15.460 326 HD11 LEU 43 1HD1 LEU 43 14.211 -2.992 13.138 327 HD12 LEU 43 2HD1 LEU 43 15.176 -1.587 13.649 328 HD13 LEU 43 3HD1 LEU 43 15.897 -2.829 12.597 329 HD21 LEU 43 1HD2 LEU 43 14.710 -5.258 14.097 330 HD22 LEU 43 2HD2 LEU 43 16.404 -5.128 13.567 331 HD23 LEU 43 3HD2 LEU 43 16.028 -5.444 15.278 332 H ASN 44 H ASN 44 19.928 -4.690 15.443 333 HA ASN 44 HA ASN 44 21.613 -2.482 16.418 334 HB2 ASN 44 1HB ASN 44 22.248 -4.849 14.624 335 HB3 ASN 44 2HB ASN 44 23.426 -3.688 15.221 336 HD21 ASN 44 1HD2 ASN 44 22.681 -6.876 17.377 337 HD22 ASN 44 2HD2 ASN 44 22.433 -6.690 15.673 338 HA PRO 45 HA PRO 45 21.580 0.278 13.097 339 HB2 PRO 45 1HB PRO 45 24.561 -0.302 12.818 340 HB3 PRO 45 2HB PRO 45 23.735 1.261 12.846 341 HG2 PRO 45 1HG PRO 45 24.949 0.460 15.064 342 HG3 PRO 45 2HG PRO 45 23.336 1.166 15.196 343 HD2 PRO 45 1HD PRO 45 24.161 -1.762 15.252 344 HD3 PRO 45 2HD PRO 45 22.941 -0.901 16.273 345 H GLY 46 H GLY 46 20.882 -0.103 11.079 346 HA2 GLY 46 1HA GLY 46 21.326 -0.701 8.784 347 HA3 GLY 46 2HA GLY 46 22.433 -1.947 9.327 348 H GLU 47 H GLU 47 20.425 -2.749 11.467 349 HA GLU 47 HA GLU 47 19.144 -4.792 9.839 350 HB2 GLU 47 1HB GLU 47 18.975 -4.176 12.817 351 HB3 GLU 47 2HB GLU 47 18.242 -5.578 12.050 352 HG2 GLU 47 1HG GLU 47 20.438 -6.399 11.376 353 HG3 GLU 47 2HG GLU 47 21.204 -4.962 12.051 354 H SER 48 H SER 48 16.829 -5.360 10.148 355 HA SER 48 HA SER 48 15.140 -2.907 10.337 356 HB2 SER 48 1HB SER 48 13.893 -3.597 8.366 357 HB3 SER 48 2HB SER 48 15.591 -3.403 7.961 358 HG SER 48 HG SER 48 14.337 -5.367 7.308 359 H TYR 49 H TYR 49 12.937 -3.256 10.849 360 HA TYR 49 HA TYR 49 12.405 -5.950 12.035 361 HB2 TYR 49 1HB TYR 49 12.552 -4.278 13.794 362 HB3 TYR 49 2HB TYR 49 11.468 -3.198 12.929 363 HD1 TYR 49 HD1 TYR 49 11.631 -6.540 14.572 364 HD2 TYR 49 HD2 TYR 49 9.156 -3.293 13.258 365 HE1 TYR 49 HE1 TYR 49 9.700 -7.536 15.749 366 HE2 TYR 49 HE2 TYR 49 7.223 -4.288 14.435 367 HH TYR 49 HH TYR 49 7.538 -7.344 16.229 368 H LYS 50 H LYS 50 10.685 -7.056 11.408 369 HA LYS 50 HA LYS 50 8.865 -5.706 9.461 370 HB2 LYS 50 1HB LYS 50 9.618 -8.639 9.766 371 HB3 LYS 50 2HB LYS 50 8.381 -8.048 8.666 372 HG2 LYS 50 1HG LYS 50 10.076 -6.723 7.460 373 HG3 LYS 50 2HG LYS 50 11.322 -7.313 8.570 374 HD2 LYS 50 1HD LYS 50 10.868 -9.634 7.860 375 HD3 LYS 50 2HD LYS 50 9.608 -9.056 6.760 376 HE2 LYS 50 1HE LYS 50 11.280 -7.758 5.502 377 HE3 LYS 50 2HE LYS 50 12.546 -8.287 6.613 378 HZ1 LYS 50 1HZ LYS 50 12.518 -9.596 4.620 379 HZ2 LYS 50 2HZ LYS 50 12.135 -10.545 5.914 380 HZ3 LYS 50 3HZ LYS 50 10.953 -10.051 4.875 381 H PHE 51 H PHE 51 6.658 -5.984 9.569 382 HA PHE 51 HA PHE 51 5.550 -7.581 11.789 383 HB2 PHE 51 1HB PHE 51 5.987 -5.278 12.717 384 HB3 PHE 51 2HB PHE 51 4.898 -4.623 11.504 385 HD1 PHE 51 HD1 PHE 51 5.145 -6.599 14.580 386 HD2 PHE 51 HD2 PHE 51 2.503 -4.957 11.651 387 HE1 PHE 51 HE1 PHE 51 3.227 -7.006 16.085 388 HE2 PHE 51 HE2 PHE 51 0.582 -5.360 13.155 389 HZ PHE 51 HZ PHE 51 0.945 -6.386 15.372 390 H GLU 52 H GLU 52 3.655 -8.490 11.304 391 HA GLU 52 HA GLU 52 2.211 -7.437 8.905 392 HB2 GLU 52 1HB GLU 52 3.357 -9.582 8.409 393 HB3 GLU 52 2HB GLU 52 2.532 -10.343 9.763 394 HG2 GLU 52 1HG GLU 52 0.381 -10.046 8.684 395 HG3 GLU 52 2HG GLU 52 1.127 -9.142 7.368 396 H ASN 53 H ASN 53 0.105 -7.053 9.094 397 HA ASN 53 HA ASN 53 -1.048 -7.347 11.793 398 HB2 ASN 53 1HB ASN 53 -1.200 -5.194 10.545 399 HB3 ASN 53 2HB ASN 53 -2.178 -5.993 9.321 400 HD21 ASN 53 1HD2 ASN 53 -4.346 -4.258 11.815 401 HD22 ASN 53 2HD2 ASN 53 -3.010 -3.775 10.824 402 H LEU 54 H LEU 54 -1.772 -9.315 12.223 403 HA LEU 54 HA LEU 54 -3.215 -10.784 10.081 404 HB2 LEU 54 1HB LEU 54 -2.129 -11.719 12.762 405 HB3 LEU 54 2HB LEU 54 -2.928 -12.750 11.571 406 HG LEU 54 HG LEU 54 -0.292 -11.296 11.157 407 HD11 LEU 54 1HD1 LEU 54 0.675 -13.549 11.267 408 HD12 LEU 54 2HD1 LEU 54 -0.136 -13.106 12.788 409 HD13 LEU 54 3HD1 LEU 54 -0.930 -14.218 11.647 410 HD21 LEU 54 1HD2 LEU 54 -0.188 -12.647 9.090 411 HD22 LEU 54 2HD2 LEU 54 -1.805 -13.304 9.438 412 HD23 LEU 54 3HD2 LEU 54 -1.607 -11.571 9.082 413 H THR 55 H THR 55 -4.225 -8.533 11.937 414 HA THR 55 HA THR 55 -6.502 -10.050 13.137 415 HB THR 55 HB THR 55 -6.754 -8.332 14.757 416 HG1 THR 55 HG1 THR 55 -5.036 -6.789 13.078 417 HG21 THR 55 1HG2 THR 55 -4.520 -8.101 15.771 418 HG22 THR 55 2HG2 THR 55 -4.776 -9.755 15.162 419 HG23 THR 55 3HG2 THR 55 -3.769 -8.613 14.242 420 H SER 56 H SER 56 -8.473 -8.428 13.397 421 HA SER 56 HA SER 56 -9.167 -7.643 10.637 422 HB2 SER 56 1HB SER 56 -11.434 -7.491 11.451 423 HB3 SER 56 2HB SER 56 -10.731 -8.998 12.019 424 HG SER 56 HG SER 56 -11.601 -8.187 13.762 425 H GLN 57 H GLN 57 -7.667 -6.180 13.188 426 HA GLN 57 HA GLN 57 -8.982 -3.548 12.659 427 HB2 GLN 57 1HB GLN 57 -7.694 -4.476 15.258 428 HB3 GLN 57 2HB GLN 57 -8.478 -2.927 14.980 429 HG2 GLN 57 1HG GLN 57 -9.865 -5.611 14.836 430 HG3 GLN 57 2HG GLN 57 -9.879 -4.503 16.237 431 HE21 GLN 57 1HE2 GLN 57 -12.707 -4.156 13.511 432 HE22 GLN 57 2HE2 GLN 57 -11.769 -5.573 13.853 433 HA PRO 58 HA PRO 58 -5.106 -1.896 11.420 434 HB2 PRO 58 1HB PRO 58 -6.025 0.487 13.064 435 HB3 PRO 58 2HB PRO 58 -5.400 0.450 11.410 436 HG2 PRO 58 1HG PRO 58 -8.021 0.729 11.751 437 HG3 PRO 58 2HG PRO 58 -7.442 -0.384 10.508 438 HD2 PRO 58 1HD PRO 58 -8.429 -1.005 13.324 439 HD3 PRO 58 2HD PRO 58 -8.828 -1.842 11.770 440 H LEU 59 H LEU 59 -3.084 -1.855 12.311 441 HA LEU 59 HA LEU 59 -2.891 -1.636 15.285 442 HB2 LEU 59 1HB LEU 59 -1.276 -3.446 13.454 443 HB3 LEU 59 2HB LEU 59 -1.018 -3.251 15.191 444 HG LEU 59 HG LEU 59 -3.543 -4.382 13.930 445 HD11 LEU 59 1HD1 LEU 59 -2.708 -6.540 14.747 446 HD12 LEU 59 2HD1 LEU 59 -1.609 -5.822 13.546 447 HD13 LEU 59 3HD1 LEU 59 -1.200 -5.757 15.277 448 HD21 LEU 59 1HD2 LEU 59 -4.046 -5.046 16.257 449 HD22 LEU 59 2HD2 LEU 59 -2.557 -4.242 16.809 450 HD23 LEU 59 3HD2 LEU 59 -3.884 -3.279 16.116 451 H ARG 60 H ARG 60 -0.770 -0.957 16.077 452 HA ARG 60 HA ARG 60 0.731 0.673 14.077 453 HB2 ARG 60 1HB ARG 60 -0.033 1.515 16.893 454 HB3 ARG 60 2HB ARG 60 1.033 2.412 15.823 455 HG2 ARG 60 1HG ARG 60 -0.847 2.678 14.220 456 HG3 ARG 60 2HG ARG 60 -1.912 1.861 15.389 457 HD2 ARG 60 1HD ARG 60 -1.288 3.598 17.047 458 HD3 ARG 60 2HD ARG 60 -0.429 4.450 15.743 459 HE ARG 60 HE ARG 60 -3.048 3.914 14.862 460 HH11 ARG 60 1HH1 ARG 60 -1.392 5.848 17.283 461 HH12 ARG 60 2HH1 ARG 60 -2.618 7.095 17.306 462 HH21 ARG 60 1HH2 ARG 60 -4.632 5.541 14.901 463 HH22 ARG 60 2HH2 ARG 60 -4.452 6.923 15.958 464 H ILE 61 H ILE 61 2.904 0.629 14.213 465 HA ILE 61 HA ILE 61 4.065 -1.075 16.363 466 HB ILE 61 HB ILE 61 5.209 -0.244 13.662 467 HG12 ILE 61 1HG1 ILE 61 5.073 -2.842 13.415 468 HG13 ILE 61 2HG1 ILE 61 3.850 -2.723 14.670 469 HG21 ILE 61 1HG2 ILE 61 7.026 -1.818 14.195 470 HG22 ILE 61 2HG2 ILE 61 6.963 -0.489 15.376 471 HG23 ILE 61 3HG2 ILE 61 6.322 -2.092 15.806 472 HD11 ILE 61 1HD1 ILE 61 2.840 -2.713 12.459 473 HD12 ILE 61 2HD1 ILE 61 2.558 -1.161 13.282 474 HD13 ILE 61 3HD1 ILE 61 3.796 -1.282 12.010 475 H ARG 62 H ARG 62 5.240 -0.227 17.922 476 HA ARG 62 HA ARG 62 5.661 2.666 17.944 477 HB2 ARG 62 1HB ARG 62 4.956 1.281 19.949 478 HB3 ARG 62 2HB ARG 62 6.583 0.617 19.985 479 HG2 ARG 62 1HG ARG 62 7.413 3.024 20.185 480 HG3 ARG 62 2HG ARG 62 5.715 3.460 20.498 481 HD2 ARG 62 1HD ARG 62 7.392 1.508 22.057 482 HD3 ARG 62 2HD ARG 62 6.897 3.140 22.562 483 HE ARG 62 HE ARG 62 5.280 0.717 22.542 484 HH11 ARG 62 1HH1 ARG 62 5.295 4.229 22.672 485 HH12 ARG 62 2HH1 ARG 62 3.716 4.332 23.418 486 HH21 ARG 62 1HH2 ARG 62 3.231 0.865 23.510 487 HH22 ARG 62 2HH2 ARG 62 2.547 2.429 23.894 488 H LEU 63 H LEU 63 7.426 3.710 17.312 489 HA LEU 63 HA LEU 63 10.013 2.229 17.322 490 HB2 LEU 63 1HB LEU 63 9.453 4.962 16.135 491 HB3 LEU 63 2HB LEU 63 10.874 3.945 15.876 492 HG LEU 63 HG LEU 63 8.059 3.381 14.877 493 HD11 LEU 63 1HD1 LEU 63 9.064 3.771 12.672 494 HD12 LEU 63 2HD1 LEU 63 9.179 5.212 13.709 495 HD13 LEU 63 3HD1 LEU 63 10.610 4.186 13.448 496 HD21 LEU 63 1HD2 LEU 63 9.127 1.485 13.705 497 HD22 LEU 63 2HD2 LEU 63 10.675 1.866 14.497 498 HD23 LEU 63 3HD2 LEU 63 9.289 1.320 15.471 499 H ARG 64 H ARG 64 11.668 2.798 18.618 500 HA ARG 64 HA ARG 64 11.470 5.396 20.055 501 HB2 ARG 64 1HB ARG 64 10.721 3.645 21.617 502 HB3 ARG 64 2HB ARG 64 12.195 2.734 21.331 503 HG2 ARG 64 1HG ARG 64 13.517 4.584 22.301 504 HG3 ARG 64 2HG ARG 64 12.004 5.464 22.630 505 HD2 ARG 64 1HD ARG 64 12.624 2.711 23.668 506 HD3 ARG 64 2HD ARG 64 12.928 4.219 24.560 507 HE ARG 64 HE ARG 64 10.295 4.418 23.865 508 HH11 ARG 64 1HH1 ARG 64 12.202 1.955 25.491 509 HH12 ARG 64 2HH1 ARG 64 10.866 1.390 26.469 510 HH21 ARG 64 1HH2 ARG 64 8.571 3.675 25.140 511 HH22 ARG 64 2HH2 ARG 64 8.811 2.363 26.271 512 H ASN 65 H ASN 65 13.291 6.542 20.063 513 HA ASN 65 HA ASN 65 15.658 5.394 18.750 514 HB2 ASN 65 1HB ASN 65 14.856 7.685 18.211 515 HB3 ASN 65 2HB ASN 65 15.187 8.179 19.866 516 HD21 ASN 65 1HD2 ASN 65 18.080 9.252 17.943 517 HD22 ASN 65 2HD2 ASN 65 16.401 9.646 18.106 518 H LEU 66 H LEU 66 17.137 4.313 19.788 519 HA LEU 66 HA LEU 66 17.277 4.574 22.727 520 HB2 LEU 66 1HB LEU 66 18.587 2.615 20.808 521 HB3 LEU 66 2HB LEU 66 18.726 2.554 22.567 522 HG LEU 66 HG LEU 66 16.157 2.204 20.983 523 HD11 LEU 66 1HD1 LEU 66 16.333 -0.133 21.712 524 HD12 LEU 66 2HD1 LEU 66 17.718 0.346 20.704 525 HD13 LEU 66 3HD1 LEU 66 17.903 0.221 22.469 526 HD21 LEU 66 1HD2 LEU 66 15.212 1.570 23.177 527 HD22 LEU 66 2HD2 LEU 66 16.766 1.948 23.956 528 HD23 LEU 66 3HD2 LEU 66 15.812 3.245 23.198 529 H SER 67 H SER 67 18.691 6.095 20.172 530 HA SER 67 HA SER 67 21.480 5.868 21.124 531 HB2 SER 67 1HB SER 67 21.097 5.687 18.730 532 HB3 SER 67 2HB SER 67 20.237 7.219 18.708 533 HG SER 67 HG SER 67 22.264 7.624 18.088 534 H ASP 68 H ASP 68 22.733 8.073 20.816 535 HA ASP 68 HA ASP 68 21.356 10.046 22.552 536 HB2 ASP 68 1HB ASP 68 24.260 9.799 21.670 537 HB3 ASP 68 2HB ASP 68 23.642 11.096 22.686 538 H THR 69 H THR 69 21.865 9.456 19.288 539 HA THR 69 HA THR 69 21.415 12.351 18.691 540 HB THR 69 HB THR 69 22.545 12.040 16.535 541 HG1 THR 69 HG1 THR 69 22.289 9.947 15.986 542 HG21 THR 69 1HG2 THR 69 24.843 11.674 17.342 543 HG22 THR 69 2HG2 THR 69 23.923 12.685 18.482 544 HG23 THR 69 3HG2 THR 69 24.207 10.966 18.845 545 HA PRO 70 HA PRO 70 17.644 11.487 16.720 546 HB2 PRO 70 1HB PRO 70 18.864 12.838 14.277 547 HB3 PRO 70 2HB PRO 70 17.280 13.108 15.017 548 HG2 PRO 70 1HG PRO 70 19.200 14.870 15.519 549 HG3 PRO 70 2HG PRO 70 18.192 14.317 16.861 550 HD2 PRO 70 1HD PRO 70 21.001 13.440 16.082 551 HD3 PRO 70 2HD PRO 70 20.326 13.777 17.728 552 H ILE 71 H ILE 71 16.806 9.820 15.535 553 HA ILE 71 HA ILE 71 18.749 8.272 13.872 554 HB ILE 71 HB ILE 71 18.028 7.123 15.978 555 HG12 ILE 71 1HG1 ILE 71 16.905 5.739 13.539 556 HG13 ILE 71 2HG1 ILE 71 18.629 5.944 13.810 557 HG21 ILE 71 1HG2 ILE 71 15.708 6.318 16.145 558 HG22 ILE 71 2HG2 ILE 71 15.768 8.096 16.140 559 HG23 ILE 71 3HG2 ILE 71 15.284 7.219 14.670 560 HD11 ILE 71 1HD1 ILE 71 17.883 3.748 14.538 561 HD12 ILE 71 2HD1 ILE 71 18.458 4.706 15.924 562 HD13 ILE 71 3HD1 ILE 71 16.712 4.495 15.650 563 H GLU 72 H GLU 72 18.201 7.608 11.872 564 HA GLU 72 HA GLU 72 15.620 8.604 10.802 565 HB2 GLU 72 1HB GLU 72 18.085 7.492 9.401 566 HB3 GLU 72 2HB GLU 72 16.632 8.043 8.578 567 HG2 GLU 72 1HG GLU 72 16.976 10.308 9.424 568 HG3 GLU 72 2HG GLU 72 18.390 9.774 10.330 569 H PHE 73 H PHE 73 13.975 7.339 10.259 570 HA PHE 73 HA PHE 73 14.487 4.396 10.124 571 HB2 PHE 73 1HB PHE 73 11.995 5.928 10.954 572 HB3 PHE 73 2HB PHE 73 11.995 4.205 10.612 573 HD1 PHE 73 HD1 PHE 73 12.487 6.694 13.089 574 HD2 PHE 73 HD2 PHE 73 13.668 2.747 11.956 575 HE1 PHE 73 HE1 PHE 73 13.173 6.232 15.419 576 HE2 PHE 73 HE2 PHE 73 14.353 2.282 14.286 577 HZ PHE 73 HZ PHE 73 14.107 4.026 16.016 578 H ARG 74 H ARG 74 14.268 3.463 8.220 579 HA ARG 74 HA ARG 74 12.815 4.879 6.066 580 HB2 ARG 74 1HB ARG 74 15.021 3.868 5.577 581 HB3 ARG 74 2HB ARG 74 14.398 2.285 6.018 582 HG2 ARG 74 1HG ARG 74 12.838 2.332 4.149 583 HG3 ARG 74 2HG ARG 74 13.371 3.977 3.726 584 HD2 ARG 74 1HD ARG 74 15.621 3.141 3.338 585 HD3 ARG 74 2HD ARG 74 15.077 1.498 3.746 586 HE ARG 74 HE ARG 74 13.390 2.442 1.725 587 HH11 ARG 74 1HH1 ARG 74 16.795 1.697 2.156 588 HH12 ARG 74 2HH1 ARG 74 17.041 1.262 0.480 589 HH21 ARG 74 1HH2 ARG 74 13.721 1.875 -0.449 590 HH22 ARG 74 2HH2 ARG 74 15.302 1.363 -0.995 591 H ILE 75 H ILE 75 10.732 4.535 5.733 592 HA ILE 75 HA ILE 75 9.533 2.152 7.061 593 HB ILE 75 HB ILE 75 8.179 4.755 6.235 594 HG12 ILE 75 1HG1 ILE 75 9.850 5.209 7.931 595 HG13 ILE 75 2HG1 ILE 75 8.232 5.353 8.600 596 HG21 ILE 75 1HG2 ILE 75 6.374 3.961 7.709 597 HG22 ILE 75 2HG2 ILE 75 6.667 2.812 6.382 598 HG23 ILE 75 3HG2 ILE 75 7.279 2.460 8.015 599 HD11 ILE 75 1HD1 ILE 75 9.728 4.234 10.155 600 HD12 ILE 75 2HD1 ILE 75 8.442 3.127 9.620 601 HD13 ILE 75 3HD1 ILE 75 10.082 2.981 8.944 602 H ARG 76 H ARG 76 8.944 0.542 5.812 603 HA ARG 76 HA ARG 76 8.020 1.184 3.042 604 HB2 ARG 76 1HB ARG 76 10.063 -0.169 3.062 605 HB3 ARG 76 2HB ARG 76 9.302 -1.350 4.116 606 HG2 ARG 76 1HG ARG 76 7.735 -1.971 2.368 607 HG3 ARG 76 2HG ARG 76 8.388 -0.704 1.302 608 HD2 ARG 76 1HD ARG 76 10.494 -1.790 1.193 609 HD3 ARG 76 2HD ARG 76 10.010 -2.968 2.435 610 HE ARG 76 HE ARG 76 8.693 -4.088 0.868 611 HH11 ARG 76 1HH1 ARG 76 10.150 -1.207 -0.517 612 HH12 ARG 76 2HH1 ARG 76 9.810 -1.677 -2.168 613 HH21 ARG 76 1HH2 ARG 76 8.258 -4.688 -1.279 614 HH22 ARG 76 2HH2 ARG 76 8.740 -3.648 -2.600 615 H GLU 77 H GLU 77 6.019 0.662 2.465 616 HA GLU 77 HA GLU 77 4.467 -1.087 4.330 617 HB2 GLU 77 1HB GLU 77 3.746 1.280 4.443 618 HB3 GLU 77 2HB GLU 77 3.484 1.295 2.706 619 HG2 GLU 77 1HG GLU 77 1.714 -0.378 2.933 620 HG3 GLU 77 2HG GLU 77 2.002 -0.467 4.669 621 H GLU 78 H GLU 78 3.651 -2.872 3.510 622 HA GLU 78 HA GLU 78 3.268 -2.995 0.547 623 HB2 GLU 78 1HB GLU 78 4.121 -5.198 2.469 624 HB3 GLU 78 2HB GLU 78 3.668 -5.475 0.793 625 HG2 GLU 78 1HG GLU 78 5.519 -3.932 0.105 626 HG3 GLU 78 2HG GLU 78 6.012 -3.849 1.795 Start of MODEL 2 1 H1 THR 1 1H THR 1 1.045 -1.090 -2.376 2 H2 THR 1 2H THR 1 0.906 0.475 -1.932 3 H3 THR 1 3H THR 1 1.509 0.093 -3.400 4 HA THR 1 HA THR 1 2.733 -0.503 -0.827 5 HB THR 1 HB THR 1 3.733 -1.029 -3.660 6 HG1 THR 1 HG1 THR 1 2.542 -2.585 -1.662 7 HG21 THR 1 1HG2 THR 1 5.682 -2.033 -2.536 8 HG22 THR 1 2HG2 THR 1 5.537 -0.305 -2.135 9 HG23 THR 1 3HG2 THR 1 5.032 -1.538 -0.956 10 H ARG 2 H ARG 2 4.135 0.942 -0.055 11 HA ARG 2 HA ARG 2 5.106 3.123 -1.780 12 HB2 ARG 2 1HB ARG 2 4.210 4.902 -0.398 13 HB3 ARG 2 2HB ARG 2 2.888 3.920 -1.011 14 HG2 ARG 2 1HG ARG 2 2.746 2.766 1.171 15 HG3 ARG 2 2HG ARG 2 4.047 3.815 1.785 16 HD2 ARG 2 1HD ARG 2 2.676 5.770 1.346 17 HD3 ARG 2 2HD ARG 2 1.376 4.719 0.738 18 HE ARG 2 HE ARG 2 2.088 3.861 3.331 19 HH11 ARG 2 1HH1 ARG 2 0.573 6.593 1.724 20 HH12 ARG 2 2HH1 ARG 2 -0.422 7.012 3.100 21 HH21 ARG 2 1HH2 ARG 2 0.791 4.415 5.111 22 HH22 ARG 2 2HH2 ARG 2 -0.300 5.779 5.018 23 H GLU 3 H GLU 3 6.673 4.511 -0.690 24 HA GLU 3 HA GLU 3 7.720 3.363 1.856 25 HB2 GLU 3 1HB GLU 3 9.359 4.223 -0.562 26 HB3 GLU 3 2HB GLU 3 10.038 3.859 1.017 27 HG2 GLU 3 1HG GLU 3 9.095 1.551 0.832 28 HG3 GLU 3 2HG GLU 3 8.576 1.941 -0.806 29 H THR 4 H THR 4 8.653 4.799 3.295 30 HA THR 4 HA THR 4 8.819 7.643 2.502 31 HB THR 4 HB THR 4 6.509 7.302 3.457 32 HG1 THR 4 HG1 THR 4 6.770 9.279 4.145 33 HG21 THR 4 1HG2 THR 4 6.318 6.920 5.884 34 HG22 THR 4 2HG2 THR 4 7.080 5.528 5.079 35 HG23 THR 4 3HG2 THR 4 8.077 6.685 5.990 36 H LYS 5 H LYS 5 9.353 8.817 4.869 37 HA LYS 5 HA LYS 5 11.498 7.274 6.178 38 HB2 LYS 5 1HB LYS 5 12.547 8.253 4.122 39 HB3 LYS 5 2HB LYS 5 12.097 9.858 4.683 40 HG2 LYS 5 1HG LYS 5 13.545 9.645 6.623 41 HG3 LYS 5 2HG LYS 5 13.916 7.967 6.202 42 HD2 LYS 5 1HD LYS 5 14.890 8.766 4.040 43 HD3 LYS 5 2HD LYS 5 14.601 10.433 4.560 44 HE2 LYS 5 1HE LYS 5 16.057 10.069 6.529 45 HE3 LYS 5 2HE LYS 5 16.348 8.407 6.008 46 HZ1 LYS 5 1HZ LYS 5 18.114 9.864 5.339 47 HZ2 LYS 5 2HZ LYS 5 17.347 9.272 4.005 48 HZ3 LYS 5 3HZ LYS 5 17.075 10.824 4.492 49 H VAL 6 H VAL 6 11.926 7.910 8.209 50 HA VAL 6 HA VAL 6 10.825 10.530 9.098 51 HB VAL 6 HB VAL 6 9.193 8.714 9.663 52 HG11 VAL 6 1HG1 VAL 6 9.787 7.048 11.354 53 HG12 VAL 6 2HG1 VAL 6 10.753 6.866 9.871 54 HG13 VAL 6 3HG1 VAL 6 11.474 7.613 11.316 55 HG21 VAL 6 1HG2 VAL 6 9.004 9.294 12.061 56 HG22 VAL 6 2HG2 VAL 6 10.665 9.930 12.037 57 HG23 VAL 6 3HG2 VAL 6 9.393 10.727 11.081 58 H THR 7 H THR 7 12.027 11.602 10.589 59 HA THR 7 HA THR 7 14.404 10.159 11.682 60 HB THR 7 HB THR 7 13.970 13.155 11.320 61 HG1 THR 7 HG1 THR 7 16.085 12.158 10.021 62 HG21 THR 7 1HG2 THR 7 16.331 13.336 11.999 63 HG22 THR 7 2HG2 THR 7 15.350 12.615 13.297 64 HG23 THR 7 3HG2 THR 7 16.387 11.582 12.287 65 H VAL 8 H VAL 8 14.605 9.847 13.788 66 HA VAL 8 HA VAL 8 12.689 11.284 15.577 67 HB VAL 8 HB VAL 8 13.669 8.409 15.850 68 HG11 VAL 8 1HG1 VAL 8 12.042 8.263 17.672 69 HG12 VAL 8 2HG1 VAL 8 13.301 9.477 17.999 70 HG13 VAL 8 3HG1 VAL 8 11.677 9.994 17.484 71 HG21 VAL 8 1HG2 VAL 8 11.323 7.812 15.340 72 HG22 VAL 8 2HG2 VAL 8 10.943 9.531 15.078 73 HG23 VAL 8 3HG2 VAL 8 12.071 8.692 13.987 74 H ASN 9 H ASN 9 13.522 12.295 17.284 75 HA ASN 9 HA ASN 9 16.441 12.158 17.680 76 HB2 ASN 9 1HB ASN 9 14.312 13.918 18.940 77 HB3 ASN 9 2HB ASN 9 16.037 14.043 19.261 78 HD21 ASN 9 1HD2 ASN 9 14.708 16.309 16.464 79 HD22 ASN 9 2HD2 ASN 9 13.971 15.832 17.956 80 HA PRO 10 HA PRO 10 16.771 9.620 21.153 81 HB2 PRO 10 1HB PRO 10 17.934 12.054 22.578 82 HB3 PRO 10 2HB PRO 10 18.544 10.394 22.547 83 HG2 PRO 10 1HG PRO 10 19.718 12.171 20.968 84 HG3 PRO 10 2HG PRO 10 19.338 10.579 20.303 85 HD2 PRO 10 1HD PRO 10 17.848 13.210 19.957 86 HD3 PRO 10 2HD PRO 10 18.207 11.931 18.728 87 H GLY 11 H GLY 11 15.216 9.040 22.553 88 HA2 GLY 11 1HA GLY 11 13.908 9.309 24.530 89 HA3 GLY 11 2HA GLY 11 14.046 11.051 24.387 90 H GLU 12 H GLU 12 13.396 10.752 21.403 91 HA GLU 12 HA GLU 12 10.511 11.096 21.772 92 HB2 GLU 12 1HB GLU 12 12.322 11.341 19.338 93 HB3 GLU 12 2HB GLU 12 10.589 11.633 19.296 94 HG2 GLU 12 1HG GLU 12 10.894 13.423 21.006 95 HG3 GLU 12 2HG GLU 12 12.635 13.168 20.909 96 H GLU 13 H GLU 13 8.912 10.061 20.433 97 HA GLU 13 HA GLU 13 9.735 7.345 19.505 98 HB2 GLU 13 1HB GLU 13 7.242 8.070 21.097 99 HB3 GLU 13 2HB GLU 13 7.529 6.504 20.350 100 HG2 GLU 13 1HG GLU 13 9.544 6.221 21.763 101 HG3 GLU 13 2HG GLU 13 9.199 7.768 22.536 102 H TYR 14 H TYR 14 8.584 6.465 17.780 103 HA TYR 14 HA TYR 14 6.667 8.331 16.448 104 HB2 TYR 14 1HB TYR 14 8.859 8.209 15.244 105 HB3 TYR 14 2HB TYR 14 8.649 6.471 15.074 106 HD1 TYR 14 HD1 TYR 14 6.740 9.632 14.399 107 HD2 TYR 14 HD2 TYR 14 7.795 5.684 13.093 108 HE1 TYR 14 HE1 TYR 14 5.481 9.989 12.302 109 HE2 TYR 14 HE2 TYR 14 6.538 6.040 10.996 110 HH TYR 14 HH TYR 14 5.200 7.406 9.863 111 H GLU 15 H GLU 15 5.279 7.161 14.802 112 HA GLU 15 HA GLU 15 4.529 4.460 15.776 113 HB2 GLU 15 1HB GLU 15 3.219 6.062 17.136 114 HB3 GLU 15 2HB GLU 15 2.618 6.830 15.673 115 HG2 GLU 15 1HG GLU 15 1.431 4.811 15.042 116 HG3 GLU 15 2HG GLU 15 2.121 3.938 16.408 117 H VAL 16 H VAL 16 3.902 3.132 14.201 118 HA VAL 16 HA VAL 16 2.875 4.380 11.684 119 HB VAL 16 HB VAL 16 4.329 1.723 12.036 120 HG11 VAL 16 1HG1 VAL 16 4.223 1.563 9.598 121 HG12 VAL 16 2HG1 VAL 16 2.604 1.567 10.336 122 HG13 VAL 16 3HG1 VAL 16 3.227 3.036 9.545 123 HG21 VAL 16 1HG2 VAL 16 6.085 2.807 10.670 124 HG22 VAL 16 2HG2 VAL 16 5.141 4.316 10.658 125 HG23 VAL 16 3HG2 VAL 16 5.810 3.695 12.186 126 H LYS 17 H LYS 17 0.841 3.963 11.170 127 HA LYS 17 HA LYS 17 -0.630 1.920 12.716 128 HB2 LYS 17 1HB LYS 17 -1.595 4.200 12.410 129 HB3 LYS 17 2HB LYS 17 -1.627 3.942 10.671 130 HG2 LYS 17 1HG LYS 17 -3.228 2.112 10.937 131 HG3 LYS 17 2HG LYS 17 -3.155 2.282 12.697 132 HD2 LYS 17 1HD LYS 17 -4.031 4.582 12.522 133 HD3 LYS 17 2HD LYS 17 -4.079 4.437 10.759 134 HE2 LYS 17 1HE LYS 17 -5.688 2.569 10.954 135 HE3 LYS 17 2HE LYS 17 -5.642 2.710 12.714 136 HZ1 LYS 17 1HZ LYS 17 -7.524 3.845 11.787 137 HZ2 LYS 17 2HZ LYS 17 -6.513 4.936 12.500 138 HZ3 LYS 17 3HZ LYS 17 -6.557 4.804 10.857 139 H VAL 18 H VAL 18 -1.264 0.011 11.988 140 HA VAL 18 HA VAL 18 -0.692 -0.578 9.113 141 HB VAL 18 HB VAL 18 -0.326 -2.474 11.470 142 HG11 VAL 18 1HG1 VAL 18 0.843 -3.876 9.841 143 HG12 VAL 18 2HG1 VAL 18 -0.854 -3.595 9.383 144 HG13 VAL 18 3HG1 VAL 18 0.451 -2.710 8.556 145 HG21 VAL 18 1HG2 VAL 18 2.098 -2.142 11.096 146 HG22 VAL 18 2HG2 VAL 18 1.737 -0.919 9.854 147 HG23 VAL 18 3HG2 VAL 18 1.303 -0.617 11.553 148 H ASN 19 H ASN 19 -2.369 -1.268 7.988 149 HA ASN 19 HA ASN 19 -4.786 -2.201 9.401 150 HB2 ASN 19 1HB ASN 19 -4.196 -1.621 6.483 151 HB3 ASN 19 2HB ASN 19 -5.731 -2.264 7.052 152 HD21 ASN 19 1HD2 ASN 19 -5.416 1.586 6.883 153 HD22 ASN 19 2HD2 ASN 19 -4.673 0.389 5.876 154 HA PRO 20 HA PRO 20 -4.353 -6.487 9.042 155 HB2 PRO 20 1HB PRO 20 -7.021 -6.380 7.567 156 HB3 PRO 20 2HB PRO 20 -6.521 -7.459 8.876 157 HG2 PRO 20 1HG PRO 20 -8.078 -5.403 9.493 158 HG3 PRO 20 2HG PRO 20 -6.697 -5.752 10.537 159 HD2 PRO 20 1HD PRO 20 -6.977 -3.634 8.370 160 HD3 PRO 20 2HD PRO 20 -6.222 -3.497 10.009 161 H GLY 21 H GLY 21 -3.239 -7.697 7.614 162 HA2 GLY 21 1HA GLY 21 -2.930 -8.782 5.498 163 HA3 GLY 21 2HA GLY 21 -3.865 -7.521 4.716 164 H THR 22 H THR 22 -2.314 -5.458 6.355 165 HA THR 22 HA THR 22 -0.337 -5.004 4.260 166 HB THR 22 HB THR 22 -1.050 -3.403 6.752 167 HG1 THR 22 HG1 THR 22 -1.605 -2.984 3.979 168 HG21 THR 22 1HG2 THR 22 0.257 -1.589 5.717 169 HG22 THR 22 2HG2 THR 22 1.288 -2.997 6.065 170 HG23 THR 22 3HG2 THR 22 0.742 -2.683 4.401 171 H ARG 23 H ARG 23 1.801 -5.272 4.305 172 HA ARG 23 HA ARG 23 3.036 -6.031 6.913 173 HB2 ARG 23 1HB ARG 23 3.957 -6.475 4.056 174 HB3 ARG 23 2HB ARG 23 4.958 -6.802 5.463 175 HG2 ARG 23 1HG ARG 23 3.389 -8.492 6.239 176 HG3 ARG 23 2HG ARG 23 2.293 -8.121 4.885 177 HD2 ARG 23 1HD ARG 23 3.965 -8.823 3.305 178 HD3 ARG 23 2HD ARG 23 5.121 -9.117 4.624 179 HE ARG 23 HE ARG 23 2.791 -10.610 5.149 180 HH11 ARG 23 1HH1 ARG 23 5.417 -10.491 2.817 181 HH12 ARG 23 2HH1 ARG 23 5.357 -12.205 2.474 182 HH21 ARG 23 1HH2 ARG 23 2.723 -12.834 4.695 183 HH22 ARG 23 2HH2 ARG 23 3.832 -13.532 3.537 184 H VAL 24 H VAL 24 4.840 -4.985 7.683 185 HA VAL 24 HA VAL 24 5.667 -2.533 6.194 186 HB VAL 24 HB VAL 24 5.144 -2.761 9.189 187 HG11 VAL 24 1HG1 VAL 24 5.711 -0.382 9.275 188 HG12 VAL 24 2HG1 VAL 24 7.086 -1.376 8.739 189 HG13 VAL 24 3HG1 VAL 24 6.158 -0.427 7.553 190 HG21 VAL 24 1HG2 VAL 24 3.390 -1.075 8.737 191 HG22 VAL 24 2HG2 VAL 24 3.768 -1.150 6.999 192 HG23 VAL 24 3HG2 VAL 24 3.092 -2.574 7.825 193 H GLU 25 H GLU 25 7.801 -2.194 6.049 194 HA GLU 25 HA GLU 25 9.560 -3.680 7.956 195 HB2 GLU 25 1HB GLU 25 9.743 -4.602 5.661 196 HB3 GLU 25 2HB GLU 25 10.131 -3.003 5.041 197 HG2 GLU 25 1HG GLU 25 12.181 -2.973 6.412 198 HG3 GLU 25 2HG GLU 25 11.794 -4.583 7.015 199 H ILE 26 H ILE 26 10.854 -2.495 9.166 200 HA ILE 26 HA ILE 26 11.339 0.331 8.319 201 HB ILE 26 HB ILE 26 10.870 -0.686 11.156 202 HG12 ILE 26 1HG1 ILE 26 9.125 1.086 9.430 203 HG13 ILE 26 2HG1 ILE 26 8.835 -0.621 9.732 204 HG21 ILE 26 1HG2 ILE 26 10.949 1.699 11.762 205 HG22 ILE 26 2HG2 ILE 26 12.489 1.169 11.046 206 HG23 ILE 26 3HG2 ILE 26 11.337 2.118 10.077 207 HD11 ILE 26 1HD1 ILE 26 7.458 0.771 11.173 208 HD12 ILE 26 2HD1 ILE 26 8.619 -0.172 12.138 209 HD13 ILE 26 3HD1 ILE 26 8.911 1.557 11.832 210 H GLN 27 H GLN 27 13.388 0.642 7.862 211 HA GLN 27 HA GLN 27 15.419 -1.039 9.245 212 HB2 GLN 27 1HB GLN 27 15.399 -1.084 6.755 213 HB3 GLN 27 2HB GLN 27 15.663 0.653 6.724 214 HG2 GLN 27 1HG GLN 27 17.833 0.376 7.802 215 HG3 GLN 27 2HG GLN 27 17.563 -1.387 7.898 216 HE21 GLN 27 1HE2 GLN 27 19.386 -1.652 4.935 217 HE22 GLN 27 2HE2 GLN 27 19.289 -1.994 6.631 218 H ALA 28 H ALA 28 16.844 -0.230 10.624 219 HA ALA 28 HA ALA 28 16.574 2.675 11.195 220 HB1 ALA 28 1HB ALA 28 17.449 2.103 13.436 221 HB2 ALA 28 2HB ALA 28 15.991 1.165 13.040 222 HB3 ALA 28 3HB ALA 28 17.595 0.403 12.938 223 H LYS 29 H LYS 29 18.284 4.046 11.319 224 HA LYS 29 HA LYS 29 20.922 2.970 10.482 225 HB2 LYS 29 1HB LYS 29 19.958 5.839 10.817 226 HB3 LYS 29 2HB LYS 29 21.558 5.368 10.260 227 HG2 LYS 29 1HG LYS 29 18.965 4.686 8.842 228 HG3 LYS 29 2HG LYS 29 20.039 6.029 8.425 229 HD2 LYS 29 1HD LYS 29 21.887 4.386 8.047 230 HD3 LYS 29 2HD LYS 29 20.745 3.072 8.365 231 HE2 LYS 29 1HE LYS 29 19.345 3.831 6.471 232 HE3 LYS 29 2HE LYS 29 20.483 5.142 6.152 233 HZ1 LYS 29 1HZ LYS 29 20.874 3.268 4.729 234 HZ2 LYS 29 2HZ LYS 29 22.172 3.492 5.722 235 HZ3 LYS 29 3HZ LYS 29 21.108 2.268 6.019 236 H GLY 30 H GLY 30 19.458 2.865 13.236 237 HA2 GLY 30 1HA GLY 30 21.884 3.027 14.808 238 HA3 GLY 30 2HA GLY 30 20.826 4.382 15.155 239 HA PRO 31 HA PRO 31 19.784 0.429 17.589 240 HB2 PRO 31 1HB PRO 31 20.197 2.480 19.799 241 HB3 PRO 31 2HB PRO 31 20.569 0.751 19.804 242 HG2 PRO 31 1HG PRO 31 22.574 2.462 19.461 243 HG3 PRO 31 2HG PRO 31 22.507 1.019 18.444 244 HD2 PRO 31 1HD PRO 31 21.668 3.871 17.783 245 HD3 PRO 31 2HD PRO 31 22.595 2.694 16.770 246 H ALA 32 H ALA 32 17.672 0.057 18.044 247 HA ALA 32 HA ALA 32 15.918 2.256 18.898 248 HB1 ALA 32 1HB ALA 32 14.313 1.887 17.052 249 HB2 ALA 32 2HB ALA 32 15.882 2.479 16.454 250 HB3 ALA 32 3HB ALA 32 15.458 0.758 16.293 251 H GLU 33 H GLU 33 13.907 1.583 19.726 252 HA GLU 33 HA GLU 33 13.659 -1.374 20.081 253 HB2 GLU 33 1HB GLU 33 13.975 -0.083 22.196 254 HB3 GLU 33 2HB GLU 33 12.532 0.851 21.829 255 HG2 GLU 33 1HG GLU 33 11.145 -1.132 21.989 256 HG3 GLU 33 2HG GLU 33 12.568 -2.149 22.213 257 H PHE 34 H PHE 34 11.832 -2.400 19.511 258 HA PHE 34 HA PHE 34 9.647 -0.698 18.382 259 HB2 PHE 34 1HB PHE 34 10.731 -3.368 17.410 260 HB3 PHE 34 2HB PHE 34 9.199 -2.701 16.868 261 HD1 PHE 34 HD1 PHE 34 12.856 -2.172 16.899 262 HD2 PHE 34 HD2 PHE 34 9.103 -0.958 15.258 263 HE1 PHE 34 HE1 PHE 34 14.039 -0.873 15.159 264 HE2 PHE 34 HE2 PHE 34 10.282 0.341 13.516 265 HZ PHE 34 HZ PHE 34 12.751 0.384 13.468 266 H GLU 35 H GLU 35 7.559 -1.195 18.863 267 HA GLU 35 HA GLU 35 7.024 -3.779 20.220 268 HB2 GLU 35 1HB GLU 35 7.277 -2.144 22.044 269 HB3 GLU 35 2HB GLU 35 6.124 -1.066 21.272 270 HG2 GLU 35 1HG GLU 35 4.346 -2.732 21.573 271 HG3 GLU 35 2HG GLU 35 5.498 -3.833 22.325 272 H GLY 36 H GLY 36 5.178 -4.737 19.626 273 HA2 GLY 36 1HA GLY 36 2.751 -3.548 18.930 274 HA3 GLY 36 2HA GLY 36 3.647 -3.621 17.425 275 H GLY 37 H GLY 37 1.213 -5.037 18.093 276 HA2 GLY 37 1HA GLY 37 0.347 -7.132 17.553 277 HA3 GLY 37 2HA GLY 37 1.969 -7.672 17.159 278 H GLY 38 H GLY 38 1.818 -6.238 20.241 279 HA2 GLY 38 1HA GLY 38 1.606 -7.167 22.404 280 HA3 GLY 38 2HA GLY 38 1.181 -8.716 21.699 281 H THR 39 H THR 39 3.875 -7.429 20.123 282 HA THR 39 HA THR 39 5.700 -9.071 21.830 283 HB THR 39 HB THR 39 6.956 -9.657 19.811 284 HG1 THR 39 HG1 THR 39 5.112 -7.873 18.593 285 HG21 THR 39 1HG2 THR 39 5.262 -11.026 18.660 286 HG22 THR 39 2HG2 THR 39 5.037 -11.087 20.425 287 HG23 THR 39 3HG2 THR 39 3.967 -10.076 19.426 288 H ARG 40 H ARG 40 7.929 -8.444 21.889 289 HA ARG 40 HA ARG 40 8.444 -5.646 20.995 290 HB2 ARG 40 1HB ARG 40 9.138 -6.863 23.687 291 HB3 ARG 40 2HB ARG 40 9.841 -5.369 23.084 292 HG2 ARG 40 1HG ARG 40 7.613 -4.336 23.010 293 HG3 ARG 40 2HG ARG 40 6.897 -5.851 23.613 294 HD2 ARG 40 1HD ARG 40 8.185 -5.673 25.645 295 HD3 ARG 40 2HD ARG 40 8.964 -4.193 25.040 296 HE ARG 40 HE ARG 40 6.180 -3.806 24.944 297 HH11 ARG 40 1HH1 ARG 40 8.717 -4.276 27.328 298 HH12 ARG 40 2HH1 ARG 40 7.892 -3.360 28.570 299 HH21 ARG 40 1HH2 ARG 40 5.119 -2.619 26.563 300 HH22 ARG 40 2HH2 ARG 40 5.856 -2.422 28.139 301 H THR 41 H THR 41 10.569 -5.165 20.410 302 HA THR 41 HA THR 41 12.676 -7.148 20.801 303 HB THR 41 HB THR 41 11.524 -8.020 18.751 304 HG1 THR 41 HG1 THR 41 14.099 -6.891 18.238 305 HG21 THR 41 1HG2 THR 41 11.707 -6.725 16.663 306 HG22 THR 41 2HG2 THR 41 10.724 -5.857 17.866 307 HG23 THR 41 3HG2 THR 41 12.405 -5.360 17.566 308 H ARG 42 H ARG 42 14.749 -6.329 20.492 309 HA ARG 42 HA ARG 42 14.925 -3.432 19.896 310 HB2 ARG 42 1HB ARG 42 17.044 -5.420 20.781 311 HB3 ARG 42 2HB ARG 42 17.316 -3.703 20.526 312 HG2 ARG 42 1HG ARG 42 15.304 -4.756 22.521 313 HG3 ARG 42 2HG ARG 42 17.011 -4.440 22.915 314 HD2 ARG 42 1HD ARG 42 16.748 -2.128 22.268 315 HD3 ARG 42 2HD ARG 42 15.054 -2.433 21.819 316 HE ARG 42 HE ARG 42 14.465 -2.464 24.052 317 HH11 ARG 42 1HH1 ARG 42 17.963 -2.414 23.736 318 HH12 ARG 42 2HH1 ARG 42 18.236 -2.068 25.428 319 HH21 ARG 42 1HH2 ARG 42 14.832 -2.015 26.247 320 HH22 ARG 42 2HH2 ARG 42 16.465 -1.842 26.851 321 H LEU 43 H LEU 43 16.204 -2.576 18.253 322 HA LEU 43 HA LEU 43 16.985 -4.533 16.132 323 HB2 LEU 43 1HB LEU 43 14.929 -3.126 15.631 324 HB3 LEU 43 2HB LEU 43 15.981 -1.707 15.663 325 HG LEU 43 HG LEU 43 17.320 -2.777 13.794 326 HD11 LEU 43 1HD1 LEU 43 16.218 -4.569 12.529 327 HD12 LEU 43 2HD1 LEU 43 16.624 -5.085 14.183 328 HD13 LEU 43 3HD1 LEU 43 14.945 -4.662 13.768 329 HD21 LEU 43 1HD2 LEU 43 15.645 -2.167 12.082 330 HD22 LEU 43 2HD2 LEU 43 14.362 -2.226 13.315 331 HD23 LEU 43 3HD2 LEU 43 15.645 -0.996 13.423 332 H ASN 44 H ASN 44 18.994 -4.422 15.379 333 HA ASN 44 HA ASN 44 20.752 -2.291 16.435 334 HB2 ASN 44 1HB ASN 44 21.409 -4.770 14.809 335 HB3 ASN 44 2HB ASN 44 22.581 -3.665 15.514 336 HD21 ASN 44 1HD2 ASN 44 21.532 -6.743 17.637 337 HD22 ASN 44 2HD2 ASN 44 21.582 -6.598 15.912 338 HA PRO 45 HA PRO 45 21.137 0.233 12.948 339 HB2 PRO 45 1HB PRO 45 24.109 -0.431 13.008 340 HB3 PRO 45 2HB PRO 45 23.328 1.151 12.886 341 HG2 PRO 45 1HG PRO 45 24.303 0.425 15.246 342 HG3 PRO 45 2HG PRO 45 22.707 1.179 15.188 343 HD2 PRO 45 1HD PRO 45 23.428 -1.767 15.446 344 HD3 PRO 45 2HD PRO 45 22.154 -0.824 16.319 345 H GLY 46 H GLY 46 20.776 -0.168 10.834 346 HA2 GLY 46 1HA GLY 46 21.402 -0.958 8.669 347 HA3 GLY 46 2HA GLY 46 22.431 -2.171 9.407 348 H GLU 47 H GLU 47 20.177 -2.831 11.350 349 HA GLU 47 HA GLU 47 19.147 -5.003 9.699 350 HB2 GLU 47 1HB GLU 47 18.673 -4.262 12.615 351 HB3 GLU 47 2HB GLU 47 18.039 -5.712 11.848 352 HG2 GLU 47 1HG GLU 47 20.323 -6.490 11.399 353 HG3 GLU 47 2HG GLU 47 20.973 -5.027 12.135 354 H SER 48 H SER 48 16.899 -5.595 9.554 355 HA SER 48 HA SER 48 15.122 -3.198 9.478 356 HB2 SER 48 1HB SER 48 14.966 -5.851 8.012 357 HB3 SER 48 2HB SER 48 13.718 -4.616 7.952 358 HG SER 48 HG SER 48 14.937 -4.159 6.289 359 H TYR 49 H TYR 49 13.305 -3.099 10.674 360 HA TYR 49 HA TYR 49 12.504 -5.499 12.219 361 HB2 TYR 49 1HB TYR 49 12.521 -3.433 13.482 362 HB3 TYR 49 2HB TYR 49 11.562 -2.608 12.259 363 HD1 TYR 49 HD1 TYR 49 11.438 -5.436 14.692 364 HD2 TYR 49 HD2 TYR 49 9.238 -2.548 12.405 365 HE1 TYR 49 HE1 TYR 49 9.369 -6.063 15.891 366 HE2 TYR 49 HE2 TYR 49 7.169 -3.175 13.604 367 HH TYR 49 HH TYR 49 7.183 -5.716 16.092 368 H LYS 50 H LYS 50 10.934 -6.814 11.660 369 HA LYS 50 HA LYS 50 9.254 -6.015 9.327 370 HB2 LYS 50 1HB LYS 50 10.038 -8.770 10.359 371 HB3 LYS 50 2HB LYS 50 8.911 -8.489 9.038 372 HG2 LYS 50 1HG LYS 50 10.715 -7.367 7.755 373 HG3 LYS 50 2HG LYS 50 11.841 -7.712 9.075 374 HD2 LYS 50 1HD LYS 50 11.425 -10.138 8.795 375 HD3 LYS 50 2HD LYS 50 10.306 -9.789 7.468 376 HE2 LYS 50 1HE LYS 50 12.142 -8.733 6.193 377 HE3 LYS 50 2HE LYS 50 13.261 -9.069 7.517 378 HZ1 LYS 50 1HZ LYS 50 13.412 -10.714 5.796 379 HZ2 LYS 50 2HZ LYS 50 12.859 -11.411 7.185 380 HZ3 LYS 50 3HZ LYS 50 11.815 -11.098 5.948 381 H PHE 51 H PHE 51 7.079 -6.128 9.373 382 HA PHE 51 HA PHE 51 5.772 -7.286 11.766 383 HB2 PHE 51 1HB PHE 51 6.166 -4.865 12.264 384 HB3 PHE 51 2HB PHE 51 5.252 -4.438 10.827 385 HD1 PHE 51 HD1 PHE 51 5.049 -5.846 14.217 386 HD2 PHE 51 HD2 PHE 51 2.853 -4.595 10.772 387 HE1 PHE 51 HE1 PHE 51 2.958 -5.894 15.535 388 HE2 PHE 51 HE2 PHE 51 0.760 -4.640 12.088 389 HZ PHE 51 HZ PHE 51 0.814 -5.292 14.470 390 H GLU 52 H GLU 52 3.857 -8.217 11.359 391 HA GLU 52 HA GLU 52 2.465 -7.514 8.826 392 HB2 GLU 52 1HB GLU 52 3.810 -9.556 8.391 393 HB3 GLU 52 2HB GLU 52 3.049 -10.355 9.760 394 HG2 GLU 52 1HG GLU 52 0.871 -10.232 8.652 395 HG3 GLU 52 2HG GLU 52 1.596 -9.374 7.294 396 H ASN 53 H ASN 53 0.372 -7.187 9.072 397 HA ASN 53 HA ASN 53 -0.797 -7.757 11.730 398 HB2 ASN 53 1HB ASN 53 -1.004 -5.487 10.733 399 HB3 ASN 53 2HB ASN 53 -1.915 -6.171 9.393 400 HD21 ASN 53 1HD2 ASN 53 -4.203 -4.804 12.017 401 HD22 ASN 53 2HD2 ASN 53 -2.844 -4.167 11.152 402 H LEU 54 H LEU 54 -1.487 -9.767 11.944 403 HA LEU 54 HA LEU 54 -3.044 -10.947 9.690 404 HB2 LEU 54 1HB LEU 54 -1.636 -12.265 12.038 405 HB3 LEU 54 2HB LEU 54 -2.592 -13.123 10.826 406 HG LEU 54 HG LEU 54 -0.042 -11.566 10.269 407 HD11 LEU 54 1HD1 LEU 54 0.948 -13.789 9.942 408 HD12 LEU 54 2HD1 LEU 54 0.353 -13.572 11.605 409 HD13 LEU 54 3HD1 LEU 54 -0.582 -14.544 10.444 410 HD21 LEU 54 1HD2 LEU 54 -0.217 -12.629 8.044 411 HD22 LEU 54 2HD2 LEU 54 -1.765 -13.370 8.519 412 HD23 LEU 54 3HD2 LEU 54 -1.631 -11.601 8.375 413 H THR 55 H THR 55 -4.049 -9.011 11.708 414 HA THR 55 HA THR 55 -5.980 -10.767 13.159 415 HB THR 55 HB THR 55 -6.242 -9.041 14.793 416 HG1 THR 55 HG1 THR 55 -4.732 -7.384 13.019 417 HG21 THR 55 1HG2 THR 55 -3.941 -8.656 15.584 418 HG22 THR 55 2HG2 THR 55 -4.143 -10.327 15.006 419 HG23 THR 55 3HG2 THR 55 -3.309 -9.128 13.990 420 H SER 56 H SER 56 -8.002 -9.160 13.743 421 HA SER 56 HA SER 56 -9.099 -8.461 11.065 422 HB2 SER 56 1HB SER 56 -11.293 -8.654 12.116 423 HB3 SER 56 2HB SER 56 -10.357 -10.117 12.376 424 HG SER 56 HG SER 56 -10.866 -8.009 14.154 425 H GLN 57 H GLN 57 -7.388 -6.878 13.201 426 HA GLN 57 HA GLN 57 -8.972 -4.384 12.912 427 HB2 GLN 57 1HB GLN 57 -8.630 -3.757 15.234 428 HB3 GLN 57 2HB GLN 57 -9.453 -5.310 15.178 429 HG2 GLN 57 1HG GLN 57 -7.318 -6.457 15.613 430 HG3 GLN 57 2HG GLN 57 -6.506 -4.869 15.707 431 HE21 GLN 57 1HE2 GLN 57 -6.972 -5.261 19.178 432 HE22 GLN 57 2HE2 GLN 57 -5.855 -5.398 17.861 433 HA PRO 58 HA PRO 58 -5.155 -2.481 11.866 434 HB2 PRO 58 1HB PRO 58 -6.138 -0.240 13.661 435 HB3 PRO 58 2HB PRO 58 -5.534 -0.154 12.001 436 HG2 PRO 58 1HG PRO 58 -8.157 0.021 12.389 437 HG3 PRO 58 2HG PRO 58 -7.561 -0.992 11.070 438 HD2 PRO 58 1HD PRO 58 -8.481 -1.824 13.858 439 HD3 PRO 58 2HD PRO 58 -8.895 -2.561 12.258 440 H LEU 59 H LEU 59 -3.132 -2.383 12.769 441 HA LEU 59 HA LEU 59 -2.967 -2.468 15.753 442 HB2 LEU 59 1HB LEU 59 -1.174 -3.861 13.732 443 HB3 LEU 59 2HB LEU 59 -0.942 -3.865 15.483 444 HG LEU 59 HG LEU 59 -3.323 -5.080 14.037 445 HD11 LEU 59 1HD1 LEU 59 -2.284 -7.223 14.629 446 HD12 LEU 59 2HD1 LEU 59 -1.243 -6.263 13.552 447 HD13 LEU 59 3HD1 LEU 59 -0.877 -6.358 15.291 448 HD21 LEU 59 1HD2 LEU 59 -3.799 -6.058 16.256 449 HD22 LEU 59 2HD2 LEU 59 -2.413 -5.177 16.943 450 HD23 LEU 59 3HD2 LEU 59 -3.820 -4.279 16.323 451 H ARG 60 H ARG 60 -0.853 -1.751 16.621 452 HA ARG 60 HA ARG 60 0.148 0.557 15.004 453 HB2 ARG 60 1HB ARG 60 -0.007 0.292 18.027 454 HB3 ARG 60 2HB ARG 60 0.616 1.680 17.147 455 HG2 ARG 60 1HG ARG 60 -1.515 2.314 16.391 456 HG3 ARG 60 2HG ARG 60 -2.220 0.723 16.766 457 HD2 ARG 60 1HD ARG 60 -2.969 2.161 18.438 458 HD3 ARG 60 2HD ARG 60 -1.656 1.215 19.178 459 HE ARG 60 HE ARG 60 -0.848 3.768 18.027 460 HH11 ARG 60 1HH1 ARG 60 -1.958 2.061 20.889 461 HH12 ARG 60 2HH1 ARG 60 -1.325 3.255 22.000 462 HH21 ARG 60 1HH2 ARG 60 -0.032 5.311 19.479 463 HH22 ARG 60 2HH2 ARG 60 -0.235 5.095 21.203 464 H ILE 61 H ILE 61 2.305 0.826 14.730 465 HA ILE 61 HA ILE 61 4.105 -0.962 16.304 466 HB ILE 61 HB ILE 61 4.658 0.539 13.709 467 HG12 ILE 61 1HG1 ILE 61 4.403 -2.441 14.156 468 HG13 ILE 61 2HG1 ILE 61 3.090 -1.428 13.573 469 HG21 ILE 61 1HG2 ILE 61 6.773 -0.722 13.708 470 HG22 ILE 61 2HG2 ILE 61 6.657 0.331 15.137 471 HG23 ILE 61 3HG2 ILE 61 6.365 -1.417 15.294 472 HD11 ILE 61 1HD1 ILE 61 4.223 -2.542 11.733 473 HD12 ILE 61 2HD1 ILE 61 4.439 -0.778 11.626 474 HD13 ILE 61 3HD1 ILE 61 5.768 -1.805 12.215 475 H ARG 62 H ARG 62 5.134 -0.095 17.947 476 HA ARG 62 HA ARG 62 5.497 2.843 18.045 477 HB2 ARG 62 1HB ARG 62 6.050 0.690 20.116 478 HB3 ARG 62 2HB ARG 62 6.266 2.415 20.372 479 HG2 ARG 62 1HG ARG 62 3.841 2.759 19.999 480 HG3 ARG 62 2HG ARG 62 3.647 0.999 19.821 481 HD2 ARG 62 1HD ARG 62 3.078 1.515 22.032 482 HD3 ARG 62 2HD ARG 62 4.698 0.785 22.092 483 HE ARG 62 HE ARG 62 4.777 3.663 21.912 484 HH11 ARG 62 1HH1 ARG 62 4.388 0.948 24.109 485 HH12 ARG 62 2HH1 ARG 62 4.947 1.838 25.507 486 HH21 ARG 62 1HH2 ARG 62 5.502 4.807 23.735 487 HH22 ARG 62 2HH2 ARG 62 5.578 4.022 25.297 488 H LEU 63 H LEU 63 7.422 3.870 17.995 489 HA LEU 63 HA LEU 63 9.867 2.179 17.768 490 HB2 LEU 63 1HB LEU 63 9.366 2.747 15.509 491 HB3 LEU 63 2HB LEU 63 8.951 4.410 15.936 492 HG LEU 63 HG LEU 63 11.351 4.836 16.472 493 HD11 LEU 63 1HD1 LEU 63 13.022 3.184 15.763 494 HD12 LEU 63 2HD1 LEU 63 11.978 2.549 17.056 495 HD13 LEU 63 3HD1 LEU 63 11.721 2.035 15.372 496 HD21 LEU 63 1HD2 LEU 63 12.096 4.836 14.115 497 HD22 LEU 63 2HD2 LEU 63 10.781 3.710 13.700 498 HD23 LEU 63 3HD2 LEU 63 10.400 5.359 14.251 499 H ARG 64 H ARG 64 11.407 2.750 19.123 500 HA ARG 64 HA ARG 64 11.353 5.545 20.188 501 HB2 ARG 64 1HB ARG 64 10.641 3.929 21.895 502 HB3 ARG 64 2HB ARG 64 12.095 2.979 21.635 503 HG2 ARG 64 1HG ARG 64 13.471 4.856 22.444 504 HG3 ARG 64 2HG ARG 64 11.988 5.801 22.729 505 HD2 ARG 64 1HD ARG 64 12.524 3.114 23.964 506 HD3 ARG 64 2HD ARG 64 12.941 4.666 24.728 507 HE ARG 64 HE ARG 64 10.305 4.971 24.112 508 HH11 ARG 64 1HH1 ARG 64 12.114 2.493 25.823 509 HH12 ARG 64 2HH1 ARG 64 10.781 2.070 26.874 510 HH21 ARG 64 1HH2 ARG 64 8.583 4.412 25.481 511 HH22 ARG 64 2HH2 ARG 64 8.782 3.155 26.682 512 H ASN 65 H ASN 65 13.168 6.695 20.067 513 HA ASN 65 HA ASN 65 15.556 5.461 18.884 514 HB2 ASN 65 1HB ASN 65 14.855 7.692 18.152 515 HB3 ASN 65 2HB ASN 65 14.994 8.302 19.796 516 HD21 ASN 65 1HD2 ASN 65 18.049 9.088 17.764 517 HD22 ASN 65 2HD2 ASN 65 16.350 9.289 17.493 518 H LEU 66 H LEU 66 17.042 4.461 19.998 519 HA LEU 66 HA LEU 66 16.994 4.780 22.937 520 HB2 LEU 66 1HB LEU 66 18.392 2.744 21.166 521 HB3 LEU 66 2HB LEU 66 18.366 2.715 22.932 522 HG LEU 66 HG LEU 66 15.935 2.419 21.132 523 HD11 LEU 66 1HD1 LEU 66 15.983 0.080 21.876 524 HD12 LEU 66 2HD1 LEU 66 17.459 0.517 20.983 525 HD13 LEU 66 3HD1 LEU 66 17.496 0.391 22.758 526 HD21 LEU 66 1HD2 LEU 66 14.796 1.819 23.243 527 HD22 LEU 66 2HD2 LEU 66 16.293 2.155 24.146 528 HD23 LEU 66 3HD2 LEU 66 15.441 3.476 23.312 529 H SER 67 H SER 67 18.618 6.204 20.444 530 HA SER 67 HA SER 67 21.341 5.789 21.520 531 HB2 SER 67 1HB SER 67 21.048 5.523 19.124 532 HB3 SER 67 2HB SER 67 20.306 7.110 18.992 533 HG SER 67 HG SER 67 22.379 7.343 18.445 534 H ASP 68 H ASP 68 22.780 7.877 21.157 535 HA ASP 68 HA ASP 68 21.487 10.057 22.699 536 HB2 ASP 68 1HB ASP 68 24.399 9.534 21.982 537 HB3 ASP 68 2HB ASP 68 23.838 10.940 22.877 538 H THR 69 H THR 69 21.998 9.210 19.517 539 HA THR 69 HA THR 69 21.847 12.082 18.708 540 HB THR 69 HB THR 69 23.064 11.546 16.644 541 HG1 THR 69 HG1 THR 69 22.870 9.486 16.124 542 HG21 THR 69 1HG2 THR 69 25.284 11.080 17.608 543 HG22 THR 69 2HG2 THR 69 24.378 12.229 18.622 544 HG23 THR 69 3HG2 THR 69 24.517 10.526 19.115 545 HA PRO 70 HA PRO 70 18.148 11.260 16.550 546 HB2 PRO 70 1HB PRO 70 19.502 12.579 14.171 547 HB3 PRO 70 2HB PRO 70 17.916 12.916 14.876 548 HG2 PRO 70 1HG PRO 70 19.905 14.591 15.418 549 HG3 PRO 70 2HG PRO 70 18.836 14.095 16.732 550 HD2 PRO 70 1HD PRO 70 21.611 13.052 16.021 551 HD3 PRO 70 2HD PRO 70 20.938 13.480 17.645 552 H ILE 71 H ILE 71 17.347 9.638 15.264 553 HA ILE 71 HA ILE 71 19.299 8.211 13.505 554 HB ILE 71 HB ILE 71 17.011 7.037 15.143 555 HG12 ILE 71 1HG1 ILE 71 19.988 6.546 15.363 556 HG13 ILE 71 2HG1 ILE 71 19.100 7.670 16.380 557 HG21 ILE 71 1HG2 ILE 71 17.782 4.869 14.267 558 HG22 ILE 71 2HG2 ILE 71 17.233 5.931 12.950 559 HG23 ILE 71 3HG2 ILE 71 18.973 5.702 13.241 560 HD11 ILE 71 1HD1 ILE 71 19.424 5.538 17.503 561 HD12 ILE 71 2HD1 ILE 71 17.694 5.831 17.205 562 HD13 ILE 71 3HD1 ILE 71 18.595 4.693 16.175 563 H GLU 72 H GLU 72 18.803 8.047 11.429 564 HA GLU 72 HA GLU 72 16.100 8.777 10.514 565 HB2 GLU 72 1HB GLU 72 18.601 7.940 8.992 566 HB3 GLU 72 2HB GLU 72 17.085 8.407 8.234 567 HG2 GLU 72 1HG GLU 72 17.270 10.645 9.271 568 HG3 GLU 72 2HG GLU 72 18.810 10.171 9.986 569 H PHE 73 H PHE 73 14.568 7.441 9.778 570 HA PHE 73 HA PHE 73 15.263 4.537 9.620 571 HB2 PHE 73 1HB PHE 73 12.652 5.764 10.595 572 HB3 PHE 73 2HB PHE 73 12.971 4.046 10.421 573 HD1 PHE 73 HD1 PHE 73 13.824 7.084 12.331 574 HD2 PHE 73 HD2 PHE 73 14.237 2.841 12.048 575 HE1 PHE 73 HE1 PHE 73 14.711 7.017 14.638 576 HE2 PHE 73 HE2 PHE 73 15.121 2.771 14.355 577 HZ PHE 73 HZ PHE 73 15.360 4.861 15.650 578 H ARG 74 H ARG 74 14.631 3.440 7.862 579 HA ARG 74 HA ARG 74 12.992 4.915 5.856 580 HB2 ARG 74 1HB ARG 74 15.200 4.102 5.093 581 HB3 ARG 74 2HB ARG 74 14.751 2.459 5.525 582 HG2 ARG 74 1HG ARG 74 12.996 2.456 3.833 583 HG3 ARG 74 2HG ARG 74 13.367 4.148 3.426 584 HD2 ARG 74 1HD ARG 74 15.619 3.489 2.781 585 HD3 ARG 74 2HD ARG 74 15.228 1.797 3.166 586 HE ARG 74 HE ARG 74 13.289 2.732 1.362 587 HH11 ARG 74 1HH1 ARG 74 16.742 2.087 1.440 588 HH12 ARG 74 2HH1 ARG 74 16.837 1.709 -0.265 589 HH21 ARG 74 1HH2 ARG 74 13.425 2.238 -0.851 590 HH22 ARG 74 2HH2 ARG 74 14.959 1.794 -1.562 591 H ILE 75 H ILE 75 10.972 4.328 5.449 592 HA ILE 75 HA ILE 75 10.036 1.795 6.731 593 HB ILE 75 HB ILE 75 8.545 4.435 6.411 594 HG12 ILE 75 1HG1 ILE 75 9.531 3.070 8.925 595 HG13 ILE 75 2HG1 ILE 75 10.352 4.405 8.133 596 HG21 ILE 75 1HG2 ILE 75 6.786 3.338 7.739 597 HG22 ILE 75 2HG2 ILE 75 7.058 2.480 6.205 598 HG23 ILE 75 3HG2 ILE 75 7.714 1.820 7.721 599 HD11 ILE 75 1HD1 ILE 75 9.012 5.186 10.005 600 HD12 ILE 75 2HD1 ILE 75 8.383 5.834 8.472 601 HD13 ILE 75 3HD1 ILE 75 7.550 4.482 9.275 602 H ARG 76 H ARG 76 9.230 0.317 5.434 603 HA ARG 76 HA ARG 76 8.020 1.233 2.857 604 HB2 ARG 76 1HB ARG 76 10.015 -0.125 2.474 605 HB3 ARG 76 2HB ARG 76 9.398 -1.392 3.523 606 HG2 ARG 76 1HG ARG 76 7.582 -1.849 1.960 607 HG3 ARG 76 2HG ARG 76 8.133 -0.520 0.912 608 HD2 ARG 76 1HD ARG 76 10.176 -1.637 0.458 609 HD3 ARG 76 2HD ARG 76 9.820 -2.890 1.670 610 HE ARG 76 HE ARG 76 8.274 -3.866 0.214 611 HH11 ARG 76 1HH1 ARG 76 9.662 -0.943 -1.156 612 HH12 ARG 76 2HH1 ARG 76 9.113 -1.293 -2.779 613 HH21 ARG 76 1HH2 ARG 76 7.567 -4.309 -1.898 614 HH22 ARG 76 2HH2 ARG 76 7.927 -3.198 -3.201 615 H GLU 77 H GLU 77 5.953 0.788 2.486 616 HA GLU 77 HA GLU 77 4.598 -1.078 4.390 617 HB2 GLU 77 1HB GLU 77 3.468 1.466 3.154 618 HB3 GLU 77 2HB GLU 77 2.604 0.374 4.227 619 HG2 GLU 77 1HG GLU 77 4.214 0.884 6.029 620 HG3 GLU 77 2HG GLU 77 5.055 1.995 4.952 621 H GLU 78 H GLU 78 3.501 -2.704 3.550 622 HA GLU 78 HA GLU 78 2.950 -2.611 0.612 623 HB2 GLU 78 1HB GLU 78 3.709 -5.015 2.321 624 HB3 GLU 78 2HB GLU 78 3.286 -5.076 0.616 625 HG2 GLU 78 1HG GLU 78 5.232 -3.696 0.063 626 HG3 GLU 78 2HG GLU 78 5.647 -3.578 1.771 Start of MODEL 3 1 H1 THR 1 1H THR 1 2.517 -1.330 -3.607 2 H2 THR 1 2H THR 1 1.823 0.093 -3.208 3 H3 THR 1 3H THR 1 3.135 0.069 -4.177 4 HA THR 1 HA THR 1 3.044 -0.731 -1.380 5 HB THR 1 HB THR 1 5.502 -0.945 -1.564 6 HG1 THR 1 HG1 THR 1 4.972 0.096 -4.078 7 HG21 THR 1 1HG2 THR 1 5.566 -3.005 -2.913 8 HG22 THR 1 2HG2 THR 1 4.095 -2.945 -1.913 9 HG23 THR 1 3HG2 THR 1 4.005 -2.576 -3.650 10 H ARG 2 H ARG 2 4.388 0.628 -0.002 11 HA ARG 2 HA ARG 2 4.657 3.411 -1.043 12 HB2 ARG 2 1HB ARG 2 2.591 3.288 0.277 13 HB3 ARG 2 2HB ARG 2 3.466 2.583 1.627 14 HG2 ARG 2 1HG ARG 2 4.735 4.644 1.927 15 HG3 ARG 2 2HG ARG 2 3.923 5.362 0.515 16 HD2 ARG 2 1HD ARG 2 2.887 6.147 2.514 17 HD3 ARG 2 2HD ARG 2 1.766 5.053 1.667 18 HE ARG 2 HE ARG 2 2.048 3.452 3.355 19 HH11 ARG 2 1HH1 ARG 2 3.998 6.317 3.934 20 HH12 ARG 2 2HH1 ARG 2 4.295 5.928 5.613 21 HH21 ARG 2 1HH2 ARG 2 2.441 2.959 5.537 22 HH22 ARG 2 2HH2 ARG 2 3.414 4.028 6.522 23 H GLU 3 H GLU 3 6.443 4.494 -0.439 24 HA GLU 3 HA GLU 3 8.120 3.326 1.726 25 HB2 GLU 3 1HB GLU 3 8.980 2.512 -0.473 26 HB3 GLU 3 2HB GLU 3 9.163 4.176 -1.007 27 HG2 GLU 3 1HG GLU 3 10.841 4.593 0.689 28 HG3 GLU 3 2HG GLU 3 10.587 2.996 1.387 29 H THR 4 H THR 4 8.910 4.765 3.101 30 HA THR 4 HA THR 4 9.400 7.531 2.203 31 HB THR 4 HB THR 4 7.009 7.499 3.010 32 HG1 THR 4 HG1 THR 4 7.471 9.472 3.588 33 HG21 THR 4 1HG2 THR 4 6.622 7.273 5.433 34 HG22 THR 4 2HG2 THR 4 7.271 5.763 4.750 35 HG23 THR 4 3HG2 THR 4 8.334 6.852 5.672 36 H LYS 5 H LYS 5 9.944 8.781 4.506 37 HA LYS 5 HA LYS 5 11.622 7.064 6.200 38 HB2 LYS 5 1HB LYS 5 13.106 7.555 4.270 39 HB3 LYS 5 2HB LYS 5 12.855 9.279 4.515 40 HG2 LYS 5 1HG LYS 5 13.998 9.218 6.639 41 HG3 LYS 5 2HG LYS 5 14.087 7.452 6.595 42 HD2 LYS 5 1HD LYS 5 16.225 8.166 5.893 43 HD3 LYS 5 2HD LYS 5 15.392 7.737 4.391 44 HE2 LYS 5 1HE LYS 5 14.982 10.027 3.848 45 HE3 LYS 5 2HE LYS 5 15.424 10.571 5.468 46 HZ1 LYS 5 1HZ LYS 5 17.173 10.973 3.896 47 HZ2 LYS 5 2HZ LYS 5 17.679 9.879 5.022 48 HZ3 LYS 5 3HZ LYS 5 17.266 9.373 3.508 49 H VAL 6 H VAL 6 11.797 7.804 8.212 50 HA VAL 6 HA VAL 6 11.074 10.664 8.689 51 HB VAL 6 HB VAL 6 9.877 9.999 10.721 52 HG11 VAL 6 1HG1 VAL 6 7.958 8.869 9.707 53 HG12 VAL 6 2HG1 VAL 6 8.605 10.153 8.659 54 HG13 VAL 6 3HG1 VAL 6 8.955 8.447 8.295 55 HG21 VAL 6 1HG2 VAL 6 9.474 7.607 11.211 56 HG22 VAL 6 2HG2 VAL 6 10.523 7.153 9.847 57 HG23 VAL 6 3HG2 VAL 6 11.211 7.990 11.258 58 H THR 7 H THR 7 11.899 11.562 10.690 59 HA THR 7 HA THR 7 14.293 10.093 11.718 60 HB THR 7 HB THR 7 13.914 13.109 11.457 61 HG1 THR 7 HG1 THR 7 16.022 11.782 10.223 62 HG21 THR 7 1HG2 THR 7 16.249 13.230 12.235 63 HG22 THR 7 2HG2 THR 7 15.208 12.474 13.464 64 HG23 THR 7 3HG2 THR 7 16.272 11.466 12.457 65 H VAL 8 H VAL 8 14.450 9.738 13.828 66 HA VAL 8 HA VAL 8 12.444 11.091 15.585 67 HB VAL 8 HB VAL 8 13.562 8.268 15.868 68 HG11 VAL 8 1HG1 VAL 8 11.888 8.025 17.635 69 HG12 VAL 8 2HG1 VAL 8 13.070 9.301 18.009 70 HG13 VAL 8 3HG1 VAL 8 11.438 9.735 17.445 71 HG21 VAL 8 1HG2 VAL 8 11.268 7.553 15.278 72 HG22 VAL 8 2HG2 VAL 8 10.807 9.251 15.013 73 HG23 VAL 8 3HG2 VAL 8 12.012 8.479 13.955 74 H ASN 9 H ASN 9 13.157 12.057 17.384 75 HA ASN 9 HA ASN 9 16.072 12.284 17.681 76 HB2 ASN 9 1HB ASN 9 13.741 13.670 19.040 77 HB3 ASN 9 2HB ASN 9 15.422 13.973 19.454 78 HD21 ASN 9 1HD2 ASN 9 13.730 15.722 16.254 79 HD22 ASN 9 2HD2 ASN 9 12.859 14.710 17.359 80 HA PRO 10 HA PRO 10 16.936 9.636 20.964 81 HB2 PRO 10 1HB PRO 10 17.839 12.122 22.485 82 HB3 PRO 10 2HB PRO 10 18.665 10.568 22.316 83 HG2 PRO 10 1HG PRO 10 19.492 12.579 20.799 84 HG3 PRO 10 2HG PRO 10 19.293 10.992 20.051 85 HD2 PRO 10 1HD PRO 10 17.442 13.404 19.954 86 HD3 PRO 10 2HD PRO 10 17.899 12.262 18.627 87 H GLY 11 H GLY 11 15.568 8.764 22.406 88 HA2 GLY 11 1HA GLY 11 14.198 8.653 24.320 89 HA3 GLY 11 2HA GLY 11 14.268 10.400 24.471 90 H GLU 12 H GLU 12 13.581 10.456 21.436 91 HA GLU 12 HA GLU 12 10.739 10.877 21.931 92 HB2 GLU 12 1HB GLU 12 12.233 12.341 20.469 93 HB3 GLU 12 2HB GLU 12 12.218 11.046 19.280 94 HG2 GLU 12 1HG GLU 12 9.827 11.244 19.003 95 HG3 GLU 12 2HG GLU 12 9.728 12.410 20.321 96 H GLU 13 H GLU 13 8.998 9.861 20.992 97 HA GLU 13 HA GLU 13 9.606 7.146 19.905 98 HB2 GLU 13 1HB GLU 13 7.085 8.153 21.288 99 HB3 GLU 13 2HB GLU 13 7.343 6.520 20.694 100 HG2 GLU 13 1HG GLU 13 9.321 6.377 22.276 101 HG3 GLU 13 2HG GLU 13 8.769 7.900 22.970 102 H TYR 14 H TYR 14 8.077 6.268 18.335 103 HA TYR 14 HA TYR 14 6.472 8.227 16.837 104 HB2 TYR 14 1HB TYR 14 8.789 8.424 15.885 105 HB3 TYR 14 2HB TYR 14 8.739 6.715 15.478 106 HD1 TYR 14 HD1 TYR 14 7.184 10.010 14.791 107 HD2 TYR 14 HD2 TYR 14 7.621 5.928 13.544 108 HE1 TYR 14 HE1 TYR 14 6.113 10.555 12.631 109 HE2 TYR 14 HE2 TYR 14 6.549 6.473 11.385 110 HH TYR 14 HH TYR 14 5.431 9.773 10.667 111 H GLU 15 H GLU 15 4.895 7.338 15.551 112 HA GLU 15 HA GLU 15 4.555 4.391 15.908 113 HB2 GLU 15 1HB GLU 15 2.480 6.597 15.595 114 HB3 GLU 15 2HB GLU 15 2.099 4.881 15.581 115 HG2 GLU 15 1HG GLU 15 3.009 4.673 17.871 116 HG3 GLU 15 2HG GLU 15 3.341 6.405 17.882 117 H VAL 16 H VAL 16 4.553 3.134 14.186 118 HA VAL 16 HA VAL 16 4.193 4.418 11.516 119 HB VAL 16 HB VAL 16 5.447 1.741 12.260 120 HG11 VAL 16 1HG1 VAL 16 6.120 1.626 9.911 121 HG12 VAL 16 2HG1 VAL 16 4.350 1.635 10.098 122 HG13 VAL 16 3HG1 VAL 16 5.198 3.110 9.575 123 HG21 VAL 16 1HG2 VAL 16 7.550 2.829 11.543 124 HG22 VAL 16 2HG2 VAL 16 6.667 4.349 11.263 125 HG23 VAL 16 3HG2 VAL 16 6.813 3.693 12.912 126 H LYS 17 H LYS 17 2.408 4.049 10.399 127 HA LYS 17 HA LYS 17 0.382 2.292 11.587 128 HB2 LYS 17 1HB LYS 17 -0.186 4.566 10.731 129 HB3 LYS 17 2HB LYS 17 0.252 4.054 9.106 130 HG2 LYS 17 1HG LYS 17 -1.558 2.410 9.097 131 HG3 LYS 17 2HG LYS 17 -1.969 2.827 10.767 132 HD2 LYS 17 1HD LYS 17 -2.484 5.141 10.068 133 HD3 LYS 17 2HD LYS 17 -2.059 4.734 8.399 134 HE2 LYS 17 1HE LYS 17 -3.865 3.031 8.367 135 HE3 LYS 17 2HE LYS 17 -4.298 3.467 10.022 136 HZ1 LYS 17 1HZ LYS 17 -5.692 4.563 8.427 137 HZ2 LYS 17 2HZ LYS 17 -4.800 5.682 9.245 138 HZ3 LYS 17 3HZ LYS 17 -4.395 5.274 7.699 139 H VAL 18 H VAL 18 -0.248 0.349 10.919 140 HA VAL 18 HA VAL 18 0.484 -0.441 8.133 141 HB VAL 18 HB VAL 18 1.835 -1.742 9.724 142 HG11 VAL 18 1HG1 VAL 18 0.789 -3.213 11.376 143 HG12 VAL 18 2HG1 VAL 18 0.436 -1.498 11.693 144 HG13 VAL 18 3HG1 VAL 18 -0.806 -2.542 10.961 145 HG21 VAL 18 1HG2 VAL 18 1.109 -4.007 9.046 146 HG22 VAL 18 2HG2 VAL 18 -0.472 -3.353 8.559 147 HG23 VAL 18 3HG2 VAL 18 1.000 -2.864 7.688 148 H ASN 19 H ASN 19 -1.115 -1.188 6.878 149 HA ASN 19 HA ASN 19 -3.840 -1.072 8.002 150 HB2 ASN 19 1HB ASN 19 -2.754 -1.283 5.181 151 HB3 ASN 19 2HB ASN 19 -4.468 -1.415 5.550 152 HD21 ASN 19 1HD2 ASN 19 -2.707 2.169 5.261 153 HD22 ASN 19 2HD2 ASN 19 -1.923 0.674 4.872 154 HA PRO 20 HA PRO 20 -4.629 -5.301 8.502 155 HB2 PRO 20 1HB PRO 20 -7.131 -4.722 6.865 156 HB3 PRO 20 2HB PRO 20 -6.985 -5.600 8.394 157 HG2 PRO 20 1HG PRO 20 -7.865 -3.100 8.481 158 HG3 PRO 20 2HG PRO 20 -6.661 -3.609 9.668 159 HD2 PRO 20 1HD PRO 20 -6.272 -2.009 7.107 160 HD3 PRO 20 2HD PRO 20 -5.538 -1.743 8.739 161 H GLY 21 H GLY 21 -3.877 -7.011 7.386 162 HA2 GLY 21 1HA GLY 21 -3.823 -8.557 5.592 163 HA3 GLY 21 2HA GLY 21 -4.598 -7.377 4.549 164 H THR 22 H THR 22 -2.341 -5.551 5.965 165 HA THR 22 HA THR 22 -0.350 -6.127 3.817 166 HB THR 22 HB THR 22 0.263 -3.785 3.878 167 HG1 THR 22 HG1 THR 22 -1.173 -3.861 6.279 168 HG21 THR 22 1HG2 THR 22 -1.869 -2.714 3.259 169 HG22 THR 22 2HG2 THR 22 -1.752 -4.349 2.563 170 HG23 THR 22 3HG2 THR 22 -2.764 -4.062 3.997 171 H ARG 23 H ARG 23 1.913 -5.436 4.337 172 HA ARG 23 HA ARG 23 2.525 -5.712 7.243 173 HB2 ARG 23 1HB ARG 23 4.438 -7.105 6.762 174 HB3 ARG 23 2HB ARG 23 3.008 -7.853 6.065 175 HG2 ARG 23 1HG ARG 23 3.645 -6.999 3.841 176 HG3 ARG 23 2HG ARG 23 5.106 -6.274 4.555 177 HD2 ARG 23 1HD ARG 23 5.800 -8.506 5.304 178 HD3 ARG 23 2HD ARG 23 4.383 -9.193 4.477 179 HE ARG 23 HE ARG 23 5.847 -7.599 2.649 180 HH11 ARG 23 1HH1 ARG 23 6.089 -10.630 4.408 181 HH12 ARG 23 2HH1 ARG 23 7.111 -11.389 3.208 182 HH21 ARG 23 1HH2 ARG 23 7.175 -8.595 1.099 183 HH22 ARG 23 2HH2 ARG 23 7.726 -10.238 1.335 184 H VAL 24 H VAL 24 4.549 -4.779 7.905 185 HA VAL 24 HA VAL 24 5.603 -2.753 5.978 186 HB VAL 24 HB VAL 24 5.911 -1.207 7.902 187 HG11 VAL 24 1HG1 VAL 24 3.561 -0.594 8.191 188 HG12 VAL 24 2HG1 VAL 24 3.941 -0.995 6.499 189 HG13 VAL 24 3HG1 VAL 24 3.068 -2.165 7.518 190 HG21 VAL 24 1HG2 VAL 24 4.776 -1.714 10.041 191 HG22 VAL 24 2HG2 VAL 24 4.328 -3.322 9.420 192 HG23 VAL 24 3HG2 VAL 24 6.040 -2.914 9.684 193 H GLU 25 H GLU 25 7.808 -2.190 6.201 194 HA GLU 25 HA GLU 25 9.326 -3.631 8.314 195 HB2 GLU 25 1HB GLU 25 9.622 -4.900 6.201 196 HB3 GLU 25 2HB GLU 25 10.175 -3.441 5.395 197 HG2 GLU 25 1HG GLU 25 12.129 -3.332 6.836 198 HG3 GLU 25 2HG GLU 25 11.558 -4.718 7.763 199 H ILE 26 H ILE 26 10.702 -2.396 9.397 200 HA ILE 26 HA ILE 26 11.301 0.300 8.254 201 HB ILE 26 HB ILE 26 10.781 -0.377 11.181 202 HG12 ILE 26 1HG1 ILE 26 8.872 1.417 10.485 203 HG13 ILE 26 2HG1 ILE 26 9.017 0.522 8.980 204 HG21 ILE 26 1HG2 ILE 26 10.867 2.063 11.493 205 HG22 ILE 26 2HG2 ILE 26 12.410 1.445 10.858 206 HG23 ILE 26 3HG2 ILE 26 11.269 2.273 9.773 207 HD11 ILE 26 1HD1 ILE 26 7.285 -0.424 10.399 208 HD12 ILE 26 2HD1 ILE 26 8.616 -1.585 10.179 209 HD13 ILE 26 3HD1 ILE 26 8.467 -0.678 11.704 210 H GLN 27 H GLN 27 13.366 0.619 7.894 211 HA GLN 27 HA GLN 27 15.345 -1.018 9.387 212 HB2 GLN 27 1HB GLN 27 15.456 -0.980 6.895 213 HB3 GLN 27 2HB GLN 27 15.714 0.759 6.940 214 HG2 GLN 27 1HG GLN 27 17.817 0.443 8.138 215 HG3 GLN 27 2HG GLN 27 17.550 -1.323 8.144 216 HE21 GLN 27 1HE2 GLN 27 19.577 -1.424 5.298 217 HE22 GLN 27 2HE2 GLN 27 19.399 -1.814 6.976 218 H ALA 28 H ALA 28 16.625 -0.228 10.903 219 HA ALA 28 HA ALA 28 16.346 2.674 11.480 220 HB1 ALA 28 1HB ALA 28 17.074 2.076 13.768 221 HB2 ALA 28 2HB ALA 28 15.636 1.152 13.270 222 HB3 ALA 28 3HB ALA 28 17.236 0.378 13.262 223 H LYS 29 H LYS 29 17.950 4.018 11.142 224 HA LYS 29 HA LYS 29 20.515 3.217 10.199 225 HB2 LYS 29 1HB LYS 29 19.471 5.477 9.864 226 HB3 LYS 29 2HB LYS 29 19.765 5.833 11.561 227 HG2 LYS 29 1HG LYS 29 22.170 5.686 11.228 228 HG3 LYS 29 2HG LYS 29 21.936 5.181 9.548 229 HD2 LYS 29 1HD LYS 29 20.804 7.343 9.071 230 HD3 LYS 29 2HD LYS 29 21.093 7.847 10.743 231 HE2 LYS 29 1HE LYS 29 23.531 7.643 10.384 232 HE3 LYS 29 2HE LYS 29 23.247 7.137 8.716 233 HZ1 LYS 29 1HZ LYS 29 23.761 9.463 8.858 234 HZ2 LYS 29 2HZ LYS 29 22.218 9.267 8.309 235 HZ3 LYS 29 3HZ LYS 29 22.485 9.739 9.866 236 H GLY 30 H GLY 30 19.289 3.869 13.443 237 HA2 GLY 30 1HA GLY 30 21.919 2.929 14.524 238 HA3 GLY 30 2HA GLY 30 21.117 4.332 15.204 239 HA PRO 31 HA PRO 31 19.883 0.434 17.483 240 HB2 PRO 31 1HB PRO 31 20.322 2.428 19.731 241 HB3 PRO 31 2HB PRO 31 20.721 0.705 19.677 242 HG2 PRO 31 1HG PRO 31 22.691 2.466 19.355 243 HG3 PRO 31 2HG PRO 31 22.637 1.045 18.305 244 HD2 PRO 31 1HD PRO 31 21.724 3.895 17.722 245 HD3 PRO 31 2HD PRO 31 22.677 2.768 16.675 246 H ALA 32 H ALA 32 17.770 0.076 17.943 247 HA ALA 32 HA ALA 32 16.016 2.275 18.782 248 HB1 ALA 32 1HB ALA 32 14.475 1.992 16.868 249 HB2 ALA 32 2HB ALA 32 16.073 2.577 16.347 250 HB3 ALA 32 3HB ALA 32 15.630 0.871 16.113 251 H GLU 33 H GLU 33 14.001 1.616 19.562 252 HA GLU 33 HA GLU 33 13.719 -1.343 19.871 253 HB2 GLU 33 1HB GLU 33 14.005 -0.120 22.007 254 HB3 GLU 33 2HB GLU 33 12.625 0.898 21.620 255 HG2 GLU 33 1HG GLU 33 11.132 -1.018 21.710 256 HG3 GLU 33 2HG GLU 33 12.495 -2.104 21.974 257 H PHE 34 H PHE 34 11.991 -2.350 19.091 258 HA PHE 34 HA PHE 34 9.710 -0.646 18.172 259 HB2 PHE 34 1HB PHE 34 10.883 -3.170 16.949 260 HB3 PHE 34 2HB PHE 34 9.298 -2.549 16.515 261 HD1 PHE 34 HD1 PHE 34 12.883 -1.538 16.703 262 HD2 PHE 34 HD2 PHE 34 9.087 -0.968 14.829 263 HE1 PHE 34 HE1 PHE 34 13.930 -0.035 15.042 264 HE2 PHE 34 HE2 PHE 34 10.129 0.534 13.165 265 HZ PHE 34 HZ PHE 34 12.552 1.001 13.273 266 H GLU 35 H GLU 35 7.682 -1.209 18.736 267 HA GLU 35 HA GLU 35 7.262 -3.865 19.998 268 HB2 GLU 35 1HB GLU 35 7.615 -2.330 21.874 269 HB3 GLU 35 2HB GLU 35 6.445 -1.196 21.213 270 HG2 GLU 35 1HG GLU 35 4.650 -2.839 21.540 271 HG3 GLU 35 2HG GLU 35 5.818 -3.995 22.179 272 H GLY 36 H GLY 36 5.416 -4.837 19.442 273 HA2 GLY 36 1HA GLY 36 2.924 -3.550 19.129 274 HA3 GLY 36 2HA GLY 36 3.607 -3.690 17.521 275 H GLY 37 H GLY 37 1.285 -5.029 18.933 276 HA2 GLY 37 1HA GLY 37 0.227 -7.076 18.571 277 HA3 GLY 37 2HA GLY 37 1.639 -7.622 17.687 278 H GLY 38 H GLY 38 2.386 -6.341 20.769 279 HA2 GLY 38 1HA GLY 38 2.708 -7.437 22.861 280 HA3 GLY 38 2HA GLY 38 2.270 -8.968 22.130 281 H THR 39 H THR 39 4.224 -7.794 19.860 282 HA THR 39 HA THR 39 6.541 -9.291 20.911 283 HB THR 39 HB THR 39 5.967 -8.149 18.145 284 HG1 THR 39 HG1 THR 39 4.785 -9.927 18.189 285 HG21 THR 39 1HG2 THR 39 7.923 -9.465 17.429 286 HG22 THR 39 2HG2 THR 39 8.391 -8.228 18.620 287 HG23 THR 39 3HG2 THR 39 8.234 -9.929 19.117 288 H ARG 40 H ARG 40 8.432 -8.460 21.502 289 HA ARG 40 HA ARG 40 8.904 -5.567 20.912 290 HB2 ARG 40 1HB ARG 40 9.526 -7.125 23.439 291 HB3 ARG 40 2HB ARG 40 10.232 -5.557 23.078 292 HG2 ARG 40 1HG ARG 40 7.978 -4.556 23.026 293 HG3 ARG 40 2HG ARG 40 7.280 -6.145 23.421 294 HD2 ARG 40 1HD ARG 40 8.428 -6.183 25.514 295 HD3 ARG 40 2HD ARG 40 9.295 -4.683 25.110 296 HE ARG 40 HE ARG 40 6.546 -4.151 24.921 297 HH11 ARG 40 1HH1 ARG 40 8.904 -5.034 27.371 298 HH12 ARG 40 2HH1 ARG 40 8.047 -4.230 28.666 299 HH21 ARG 40 1HH2 ARG 40 5.442 -3.112 26.612 300 HH22 ARG 40 2HH2 ARG 40 6.087 -3.142 28.237 301 H THR 41 H THR 41 10.654 -5.169 19.763 302 HA THR 41 HA THR 41 12.980 -6.997 19.993 303 HB THR 41 HB THR 41 11.681 -6.227 17.343 304 HG1 THR 41 HG1 THR 41 11.808 -8.593 18.890 305 HG21 THR 41 1HG2 THR 41 13.467 -7.592 16.335 306 HG22 THR 41 2HG2 THR 41 14.149 -6.211 17.228 307 HG23 THR 41 3HG2 THR 41 14.190 -7.841 17.941 308 H ARG 42 H ARG 42 14.875 -5.988 20.021 309 HA ARG 42 HA ARG 42 14.919 -3.118 19.210 310 HB2 ARG 42 1HB ARG 42 16.723 -4.739 21.033 311 HB3 ARG 42 2HB ARG 42 17.127 -3.121 20.480 312 HG2 ARG 42 1HG ARG 42 15.010 -2.294 21.532 313 HG3 ARG 42 2HG ARG 42 14.776 -3.926 22.206 314 HD2 ARG 42 1HD ARG 42 16.775 -3.773 23.459 315 HD3 ARG 42 2HD ARG 42 17.243 -2.266 22.640 316 HE ARG 42 HE ARG 42 14.714 -1.931 23.889 317 HH11 ARG 42 1HH1 ARG 42 18.122 -2.277 24.666 318 HH12 ARG 42 2HH1 ARG 42 18.005 -1.366 26.154 319 HH21 ARG 42 1HH2 ARG 42 14.574 -0.749 25.823 320 HH22 ARG 42 2HH2 ARG 42 15.996 -0.500 26.810 321 H LEU 43 H LEU 43 16.454 -2.330 17.801 322 HA LEU 43 HA LEU 43 17.645 -4.443 16.069 323 HB2 LEU 43 1HB LEU 43 16.960 -1.554 15.417 324 HB3 LEU 43 2HB LEU 43 17.595 -2.751 14.283 325 HG LEU 43 HG LEU 43 14.866 -2.780 15.616 326 HD11 LEU 43 1HD1 LEU 43 14.068 -2.508 13.310 327 HD12 LEU 43 2HD1 LEU 43 15.112 -1.156 13.810 328 HD13 LEU 43 3HD1 LEU 43 15.751 -2.426 12.739 329 HD21 LEU 43 1HD2 LEU 43 14.471 -4.801 14.248 330 HD22 LEU 43 2HD2 LEU 43 16.160 -4.752 13.689 331 HD23 LEU 43 3HD2 LEU 43 15.800 -5.059 15.404 332 H ASN 44 H ASN 44 19.808 -4.449 15.567 333 HA ASN 44 HA ASN 44 21.499 -2.236 16.536 334 HB2 ASN 44 1HB ASN 44 22.144 -4.665 14.831 335 HB3 ASN 44 2HB ASN 44 23.323 -3.489 15.395 336 HD21 ASN 44 1HD2 ASN 44 22.541 -6.586 17.663 337 HD22 ASN 44 2HD2 ASN 44 22.315 -6.465 15.951 338 HA PRO 45 HA PRO 45 21.585 0.429 13.120 339 HB2 PRO 45 1HB PRO 45 24.557 -0.239 12.940 340 HB3 PRO 45 2HB PRO 45 23.772 1.345 12.872 341 HG2 PRO 45 1HG PRO 45 24.907 0.626 15.158 342 HG3 PRO 45 2HG PRO 45 23.307 1.372 15.213 343 HD2 PRO 45 1HD PRO 45 24.066 -1.567 15.433 344 HD3 PRO 45 2HD PRO 45 22.836 -0.632 16.374 345 H GLY 46 H GLY 46 20.883 -0.054 11.129 346 HA2 GLY 46 1HA GLY 46 21.334 -0.766 8.864 347 HA3 GLY 46 2HA GLY 46 22.418 -2.001 9.476 348 H GLU 47 H GLU 47 20.371 -2.642 11.644 349 HA GLU 47 HA GLU 47 19.053 -4.739 10.103 350 HB2 GLU 47 1HB GLU 47 18.918 -4.010 13.056 351 HB3 GLU 47 2HB GLU 47 18.157 -5.426 12.346 352 HG2 GLU 47 1HG GLU 47 20.352 -6.288 11.672 353 HG3 GLU 47 2HG GLU 47 21.129 -4.854 12.337 354 H SER 48 H SER 48 16.718 -5.250 10.509 355 HA SER 48 HA SER 48 15.096 -2.748 10.524 356 HB2 SER 48 1HB SER 48 13.839 -3.537 8.588 357 HB3 SER 48 2HB SER 48 15.542 -3.382 8.185 358 HG SER 48 HG SER 48 14.329 -5.355 7.593 359 H TYR 49 H TYR 49 12.895 -2.997 11.067 360 HA TYR 49 HA TYR 49 12.277 -5.602 12.396 361 HB2 TYR 49 1HB TYR 49 12.334 -3.758 13.994 362 HB3 TYR 49 2HB TYR 49 11.264 -2.793 12.986 363 HD1 TYR 49 HD1 TYR 49 11.445 -5.918 15.000 364 HD2 TYR 49 HD2 TYR 49 8.930 -2.960 13.175 365 HE1 TYR 49 HE1 TYR 49 9.488 -6.850 16.187 366 HE2 TYR 49 HE2 TYR 49 6.973 -3.890 14.363 367 HH TYR 49 HH TYR 49 6.244 -5.419 15.791 368 H LYS 50 H LYS 50 10.566 -6.756 11.808 369 HA LYS 50 HA LYS 50 8.862 -5.597 9.646 370 HB2 LYS 50 1HB LYS 50 9.616 -8.485 10.229 371 HB3 LYS 50 2HB LYS 50 8.431 -8.000 9.024 372 HG2 LYS 50 1HG LYS 50 10.174 -6.760 7.798 373 HG3 LYS 50 2HG LYS 50 11.367 -7.241 9.013 374 HD2 LYS 50 1HD LYS 50 10.973 -9.617 8.473 375 HD3 LYS 50 2HD LYS 50 9.757 -9.150 7.276 376 HE2 LYS 50 1HE LYS 50 11.468 -7.939 5.985 377 HE3 LYS 50 2HE LYS 50 12.689 -8.346 7.193 378 HZ1 LYS 50 1HZ LYS 50 12.772 -9.824 5.323 379 HZ2 LYS 50 2HZ LYS 50 12.344 -10.664 6.676 380 HZ3 LYS 50 3HZ LYS 50 11.204 -10.284 5.547 381 H PHE 51 H PHE 51 6.657 -5.844 9.678 382 HA PHE 51 HA PHE 51 5.423 -7.365 11.874 383 HB2 PHE 51 1HB PHE 51 5.839 -5.079 12.826 384 HB3 PHE 51 2HB PHE 51 4.863 -4.392 11.537 385 HD1 PHE 51 HD1 PHE 51 4.809 -6.448 14.586 386 HD2 PHE 51 HD2 PHE 51 2.466 -4.563 11.551 387 HE1 PHE 51 HE1 PHE 51 2.775 -6.785 15.950 388 HE2 PHE 51 HE2 PHE 51 0.429 -4.896 12.913 389 HZ PHE 51 HZ PHE 51 0.585 -6.009 15.113 390 H GLU 52 H GLU 52 3.487 -8.193 11.349 391 HA GLU 52 HA GLU 52 2.228 -7.190 8.830 392 HB2 GLU 52 1HB GLU 52 3.355 -9.381 8.482 393 HB3 GLU 52 2HB GLU 52 2.402 -10.076 9.786 394 HG2 GLU 52 1HG GLU 52 0.357 -9.767 8.538 395 HG3 GLU 52 2HG GLU 52 1.212 -8.887 7.273 396 H ASN 53 H ASN 53 0.126 -6.740 8.884 397 HA ASN 53 HA ASN 53 -1.197 -7.009 11.520 398 HB2 ASN 53 1HB ASN 53 -1.104 -4.791 10.393 399 HB3 ASN 53 2HB ASN 53 -2.040 -5.446 9.057 400 HD21 ASN 53 1HD2 ASN 53 -4.307 -3.688 11.407 401 HD22 ASN 53 2HD2 ASN 53 -2.893 -3.261 10.503 402 H LEU 54 H LEU 54 -2.098 -8.932 11.796 403 HA LEU 54 HA LEU 54 -3.493 -10.178 9.490 404 HB2 LEU 54 1HB LEU 54 -2.678 -11.314 12.188 405 HB3 LEU 54 2HB LEU 54 -3.479 -12.223 10.904 406 HG LEU 54 HG LEU 54 -0.711 -10.981 10.722 407 HD11 LEU 54 1HD1 LEU 54 0.061 -13.310 10.794 408 HD12 LEU 54 2HD1 LEU 54 -0.810 -12.859 12.279 409 HD13 LEU 54 3HD1 LEU 54 -1.614 -13.857 11.043 410 HD21 LEU 54 1HD2 LEU 54 -0.581 -12.256 8.608 411 HD22 LEU 54 2HD2 LEU 54 -2.266 -12.788 8.826 412 HD23 LEU 54 3HD2 LEU 54 -1.905 -11.066 8.558 413 H THR 55 H THR 55 -4.456 -7.938 11.386 414 HA THR 55 HA THR 55 -6.896 -9.321 12.409 415 HB THR 55 HB THR 55 -7.134 -7.599 14.034 416 HG1 THR 55 HG1 THR 55 -5.153 -6.161 12.556 417 HG21 THR 55 1HG2 THR 55 -4.953 -7.539 15.181 418 HG22 THR 55 2HG2 THR 55 -5.288 -9.164 14.535 419 HG23 THR 55 3HG2 THR 55 -4.150 -8.089 13.692 420 H SER 56 H SER 56 -8.769 -7.565 12.599 421 HA SER 56 HA SER 56 -9.176 -6.563 9.835 422 HB2 SER 56 1HB SER 56 -11.527 -6.395 10.445 423 HB3 SER 56 2HB SER 56 -10.918 -8.000 10.824 424 HG SER 56 HG SER 56 -11.478 -5.856 12.528 425 H GLN 57 H GLN 57 -7.718 -5.376 12.422 426 HA GLN 57 HA GLN 57 -8.924 -2.660 12.107 427 HB2 GLN 57 1HB GLN 57 -9.552 -3.640 14.296 428 HB3 GLN 57 2HB GLN 57 -7.856 -3.911 14.670 429 HG2 GLN 57 1HG GLN 57 -7.431 -1.515 14.661 430 HG3 GLN 57 2HG GLN 57 -9.130 -1.207 14.203 431 HE21 GLN 57 1HE2 GLN 57 -9.355 -0.603 17.710 432 HE22 GLN 57 2HE2 GLN 57 -9.010 0.154 16.190 433 HA PRO 58 HA PRO 58 -4.909 -1.420 10.828 434 HB2 PRO 58 1HB PRO 58 -5.915 1.170 12.078 435 HB3 PRO 58 2HB PRO 58 -5.097 0.931 10.528 436 HG2 PRO 58 1HG PRO 58 -7.729 1.275 10.505 437 HG3 PRO 58 2HG PRO 58 -7.036 0.007 9.489 438 HD2 PRO 58 1HD PRO 58 -8.405 -0.238 12.196 439 HD3 PRO 58 2HD PRO 58 -8.575 -1.288 10.733 440 H LEU 59 H LEU 59 -2.969 -1.384 11.860 441 HA LEU 59 HA LEU 59 -3.001 -0.942 14.816 442 HB2 LEU 59 1HB LEU 59 -1.299 -2.907 13.242 443 HB3 LEU 59 2HB LEU 59 -1.231 -2.646 14.988 444 HG LEU 59 HG LEU 59 -3.639 -3.736 13.487 445 HD11 LEU 59 1HD1 LEU 59 -3.002 -5.880 14.500 446 HD12 LEU 59 2HD1 LEU 59 -1.737 -5.267 13.410 447 HD13 LEU 59 3HD1 LEU 59 -1.538 -5.127 15.173 448 HD21 LEU 59 1HD2 LEU 59 -4.446 -4.260 15.763 449 HD22 LEU 59 2HD2 LEU 59 -3.001 -3.485 16.455 450 HD23 LEU 59 3HD2 LEU 59 -4.193 -2.510 15.562 451 H ARG 60 H ARG 60 -0.881 -0.360 15.738 452 HA ARG 60 HA ARG 60 0.828 1.115 13.785 453 HB2 ARG 60 1HB ARG 60 -0.040 2.090 16.527 454 HB3 ARG 60 2HB ARG 60 1.130 2.891 15.491 455 HG2 ARG 60 1HG ARG 60 -0.625 3.243 13.790 456 HG3 ARG 60 2HG ARG 60 -1.805 2.468 14.876 457 HD2 ARG 60 1HD ARG 60 -1.236 4.183 16.579 458 HD3 ARG 60 2HD ARG 60 -0.256 5.001 15.341 459 HE ARG 60 HE ARG 60 -2.815 4.567 14.263 460 HH11 ARG 60 1HH1 ARG 60 -1.300 6.413 16.840 461 HH12 ARG 60 2HH1 ARG 60 -2.486 7.698 16.786 462 HH21 ARG 60 1HH2 ARG 60 -4.348 6.242 14.204 463 HH22 ARG 60 2HH2 ARG 60 -4.212 7.601 15.295 464 H ILE 61 H ILE 61 3.004 1.079 14.134 465 HA ILE 61 HA ILE 61 3.917 -0.792 16.261 466 HB ILE 61 HB ILE 61 5.300 0.187 13.727 467 HG12 ILE 61 1HG1 ILE 61 5.172 -2.391 13.326 468 HG13 ILE 61 2HG1 ILE 61 3.854 -2.332 14.487 469 HG21 ILE 61 1HG2 ILE 61 7.063 -1.430 14.310 470 HG22 ILE 61 2HG2 ILE 61 6.916 -0.170 15.556 471 HG23 ILE 61 3HG2 ILE 61 6.234 -1.788 15.843 472 HD11 ILE 61 1HD1 ILE 61 3.022 -2.191 12.207 473 HD12 ILE 61 2HD1 ILE 61 2.683 -0.683 13.090 474 HD13 ILE 61 3HD1 ILE 61 4.017 -0.745 11.913 475 H ARG 62 H ARG 62 5.102 -0.150 17.932 476 HA ARG 62 HA ARG 62 5.431 2.764 18.218 477 HB2 ARG 62 1HB ARG 62 4.350 1.521 20.030 478 HB3 ARG 62 2HB ARG 62 5.760 0.487 20.202 479 HG2 ARG 62 1HG ARG 62 7.097 2.495 20.848 480 HG3 ARG 62 2HG ARG 62 5.593 3.446 20.807 481 HD2 ARG 62 1HD ARG 62 4.626 1.939 22.472 482 HD3 ARG 62 2HD ARG 62 6.169 1.055 22.542 483 HE ARG 62 HE ARG 62 6.388 3.916 23.023 484 HH11 ARG 62 1HH1 ARG 62 5.866 0.749 24.453 485 HH12 ARG 62 2HH1 ARG 62 6.387 1.245 26.048 486 HH21 ARG 62 1HH2 ARG 62 7.064 4.546 25.098 487 HH22 ARG 62 2HH2 ARG 62 7.066 3.394 26.413 488 H LEU 63 H LEU 63 7.265 3.764 17.817 489 HA LEU 63 HA LEU 63 9.787 2.178 17.889 490 HB2 LEU 63 1HB LEU 63 8.917 4.659 16.411 491 HB3 LEU 63 2HB LEU 63 10.635 4.345 16.682 492 HG LEU 63 HG LEU 63 10.369 2.151 15.496 493 HD11 LEU 63 1HD1 LEU 63 8.328 1.790 14.181 494 HD12 LEU 63 2HD1 LEU 63 7.987 1.826 15.927 495 HD13 LEU 63 3HD1 LEU 63 7.598 3.237 14.916 496 HD21 LEU 63 1HD2 LEU 63 10.204 3.175 13.252 497 HD22 LEU 63 2HD2 LEU 63 9.501 4.643 13.973 498 HD23 LEU 63 3HD2 LEU 63 11.180 4.185 14.346 499 H ARG 64 H ARG 64 11.556 2.828 19.074 500 HA ARG 64 HA ARG 64 11.419 5.517 20.329 501 HB2 ARG 64 1HB ARG 64 10.773 3.892 22.075 502 HB3 ARG 64 2HB ARG 64 12.249 2.984 21.789 503 HG2 ARG 64 1HG ARG 64 13.593 4.882 22.551 504 HG3 ARG 64 2HG ARG 64 12.110 5.833 22.807 505 HD2 ARG 64 1HD ARG 64 11.353 4.263 24.461 506 HD3 ARG 64 2HD ARG 64 12.772 3.231 24.165 507 HE ARG 64 HE ARG 64 13.623 5.856 24.833 508 HH11 ARG 64 1HH1 ARG 64 12.155 3.009 26.275 509 HH12 ARG 64 2HH1 ARG 64 12.794 3.334 27.872 510 HH21 ARG 64 1HH2 ARG 64 14.448 6.267 26.909 511 HH22 ARG 64 2HH2 ARG 64 14.091 5.178 28.230 512 H ASN 65 H ASN 65 13.229 6.658 20.100 513 HA ASN 65 HA ASN 65 15.575 5.406 18.864 514 HB2 ASN 65 1HB ASN 65 14.848 7.665 18.195 515 HB3 ASN 65 2HB ASN 65 15.105 8.245 19.834 516 HD21 ASN 65 1HD2 ASN 65 18.049 9.056 17.702 517 HD22 ASN 65 2HD2 ASN 65 16.344 9.344 17.589 518 H LEU 66 H LEU 66 17.048 4.347 19.945 519 HA LEU 66 HA LEU 66 17.051 4.614 22.882 520 HB2 LEU 66 1HB LEU 66 18.434 2.635 21.036 521 HB3 LEU 66 2HB LEU 66 18.453 2.564 22.801 522 HG LEU 66 HG LEU 66 15.977 2.295 21.060 523 HD11 LEU 66 1HD1 LEU 66 16.063 -0.063 21.736 524 HD12 LEU 66 2HD1 LEU 66 17.510 0.410 20.815 525 HD13 LEU 66 3HD1 LEU 66 17.598 0.236 22.585 526 HD21 LEU 66 1HD2 LEU 66 14.903 1.628 23.184 527 HD22 LEU 66 2HD2 LEU 66 16.422 1.951 24.054 528 HD23 LEU 66 3HD2 LEU 66 15.537 3.289 23.281 529 H SER 67 H SER 67 18.672 6.067 20.383 530 HA SER 67 HA SER 67 21.367 5.795 21.606 531 HB2 SER 67 1HB SER 67 22.259 6.339 19.518 532 HB3 SER 67 2HB SER 67 20.846 5.379 19.107 533 HG SER 67 HG SER 67 19.711 7.372 18.921 534 H ASP 68 H ASP 68 22.739 7.907 21.065 535 HA ASP 68 HA ASP 68 21.358 10.071 22.542 536 HB2 ASP 68 1HB ASP 68 24.283 9.654 21.810 537 HB3 ASP 68 2HB ASP 68 23.673 11.058 22.678 538 H THR 69 H THR 69 21.587 9.205 19.416 539 HA THR 69 HA THR 69 21.546 12.049 18.521 540 HB THR 69 HB THR 69 22.723 11.430 16.448 541 HG1 THR 69 HG1 THR 69 22.017 9.129 16.654 542 HG21 THR 69 1HG2 THR 69 24.957 11.019 17.402 543 HG22 THR 69 2HG2 THR 69 24.059 12.209 18.375 544 HG23 THR 69 3HG2 THR 69 24.214 10.529 18.942 545 HA PRO 70 HA PRO 70 17.794 11.194 16.448 546 HB2 PRO 70 1HB PRO 70 19.123 12.535 14.067 547 HB3 PRO 70 2HB PRO 70 17.533 12.848 14.774 548 HG2 PRO 70 1HG PRO 70 19.496 14.551 15.319 549 HG3 PRO 70 2HG PRO 70 18.437 14.034 16.635 550 HD2 PRO 70 1HD PRO 70 21.227 13.039 15.917 551 HD3 PRO 70 2HD PRO 70 20.548 13.445 17.544 552 H ILE 71 H ILE 71 17.015 9.539 15.206 553 HA ILE 71 HA ILE 71 18.990 8.084 13.500 554 HB ILE 71 HB ILE 71 16.731 6.996 15.225 555 HG12 ILE 71 1HG1 ILE 71 19.706 6.437 15.239 556 HG13 ILE 71 2HG1 ILE 71 18.880 7.521 16.347 557 HG21 ILE 71 1HG2 ILE 71 17.333 4.784 14.330 558 HG22 ILE 71 2HG2 ILE 71 16.742 5.856 13.040 559 HG23 ILE 71 3HG2 ILE 71 18.485 5.546 13.209 560 HD11 ILE 71 1HD1 ILE 71 19.275 5.352 17.373 561 HD12 ILE 71 2HD1 ILE 71 17.529 5.649 17.192 562 HD13 ILE 71 3HD1 ILE 71 18.367 4.551 16.070 563 H GLU 72 H GLU 72 18.527 7.838 11.424 564 HA GLU 72 HA GLU 72 15.891 8.604 10.397 565 HB2 GLU 72 1HB GLU 72 18.343 7.448 9.008 566 HB3 GLU 72 2HB GLU 72 16.886 7.983 8.184 567 HG2 GLU 72 1HG GLU 72 17.246 10.266 8.940 568 HG3 GLU 72 2HG GLU 72 18.644 9.761 9.887 569 H PHE 73 H PHE 73 14.247 7.327 9.884 570 HA PHE 73 HA PHE 73 14.730 4.377 9.957 571 HB2 PHE 73 1HB PHE 73 12.292 5.968 10.838 572 HB3 PHE 73 2HB PHE 73 12.297 4.222 10.651 573 HD1 PHE 73 HD1 PHE 73 13.655 7.042 12.595 574 HD2 PHE 73 HD2 PHE 73 13.342 2.795 12.260 575 HE1 PHE 73 HE1 PHE 73 14.509 6.799 14.903 576 HE2 PHE 73 HE2 PHE 73 14.192 2.548 14.569 577 HZ PHE 73 HZ PHE 73 14.777 4.551 15.889 578 H ARG 74 H ARG 74 14.561 3.455 8.053 579 HA ARG 74 HA ARG 74 13.022 4.798 5.917 580 HB2 ARG 74 1HB ARG 74 15.298 3.939 5.443 581 HB3 ARG 74 2HB ARG 74 14.767 2.312 5.837 582 HG2 ARG 74 1HG ARG 74 13.203 2.344 3.949 583 HG3 ARG 74 2HG ARG 74 13.715 4.003 3.555 584 HD2 ARG 74 1HD ARG 74 16.001 3.192 3.240 585 HD3 ARG 74 2HD ARG 74 15.438 1.535 3.561 586 HE ARG 74 HE ARG 74 13.895 2.748 1.483 587 HH11 ARG 74 1HH1 ARG 74 17.034 1.315 2.140 588 HH12 ARG 74 2HH1 ARG 74 17.281 0.797 0.486 589 HH21 ARG 74 1HH2 ARG 74 14.229 2.072 -0.658 590 HH22 ARG 74 2HH2 ARG 74 15.696 1.225 -1.098 591 H ILE 75 H ILE 75 10.989 4.290 5.471 592 HA ILE 75 HA ILE 75 9.937 1.802 6.749 593 HB ILE 75 HB ILE 75 8.568 4.492 6.326 594 HG12 ILE 75 1HG1 ILE 75 9.302 3.101 8.909 595 HG13 ILE 75 2HG1 ILE 75 10.298 4.333 8.149 596 HG21 ILE 75 1HG2 ILE 75 6.691 3.487 7.561 597 HG22 ILE 75 2HG2 ILE 75 7.001 2.609 6.046 598 HG23 ILE 75 3HG2 ILE 75 7.543 1.926 7.596 599 HD11 ILE 75 1HD1 ILE 75 8.918 5.285 9.909 600 HD12 ILE 75 2HD1 ILE 75 8.455 5.950 8.323 601 HD13 ILE 75 3HD1 ILE 75 7.447 4.703 9.095 602 H ARG 76 H ARG 76 9.089 0.320 5.481 603 HA ARG 76 HA ARG 76 7.938 1.210 2.869 604 HB2 ARG 76 1HB ARG 76 10.059 -0.001 2.519 605 HB3 ARG 76 2HB ARG 76 9.450 -1.364 3.445 606 HG2 ARG 76 1HG ARG 76 7.737 -1.789 1.767 607 HG3 ARG 76 2HG ARG 76 8.261 -0.358 0.847 608 HD2 ARG 76 1HD ARG 76 10.407 -1.342 0.457 609 HD3 ARG 76 2HD ARG 76 9.993 -2.733 1.487 610 HE ARG 76 HE ARG 76 8.630 -3.581 -0.197 611 HH11 ARG 76 1HH1 ARG 76 9.900 -0.428 -1.083 612 HH12 ARG 76 2HH1 ARG 76 9.456 -0.583 -2.768 613 HH21 ARG 76 1HH2 ARG 76 8.058 -3.771 -2.387 614 HH22 ARG 76 2HH2 ARG 76 8.413 -2.475 -3.507 615 H GLU 77 H GLU 77 5.911 0.621 2.469 616 HA GLU 77 HA GLU 77 4.721 -1.494 4.214 617 HB2 GLU 77 1HB GLU 77 3.731 0.753 4.558 618 HB3 GLU 77 2HB GLU 77 3.356 0.860 2.844 619 HG2 GLU 77 1HG GLU 77 1.834 -1.057 3.046 620 HG3 GLU 77 2HG GLU 77 2.220 -1.188 4.761 621 H GLU 78 H GLU 78 3.872 -3.249 3.318 622 HA GLU 78 HA GLU 78 3.487 -3.230 0.355 623 HB2 GLU 78 1HB GLU 78 4.596 -5.475 2.089 624 HB3 GLU 78 2HB GLU 78 4.183 -5.639 0.388 625 HG2 GLU 78 1HG GLU 78 5.874 -3.944 -0.189 626 HG3 GLU 78 2HG GLU 78 6.288 -3.780 1.516 Start of MODEL 4 1 H1 THR 1 1H THR 1 2.434 -1.572 -3.268 2 H2 THR 1 2H THR 1 1.766 -0.235 -2.610 3 H3 THR 1 3H THR 1 2.685 -0.112 -3.954 4 HA THR 1 HA THR 1 3.596 -0.926 -1.312 5 HB THR 1 HB THR 1 5.148 -0.542 -3.907 6 HG1 THR 1 HG1 THR 1 4.313 -2.779 -2.390 7 HG21 THR 1 1HG2 THR 1 7.105 -1.211 -2.569 8 HG22 THR 1 2HG2 THR 1 6.385 0.289 -1.937 9 HG23 THR 1 3HG2 THR 1 6.095 -1.257 -1.106 10 H ARG 2 H ARG 2 4.346 0.624 -0.018 11 HA ARG 2 HA ARG 2 4.631 3.364 -1.162 12 HB2 ARG 2 1HB ARG 2 2.404 3.185 -0.112 13 HB3 ARG 2 2HB ARG 2 3.143 2.643 1.387 14 HG2 ARG 2 1HG ARG 2 4.248 4.799 1.664 15 HG3 ARG 2 2HG ARG 2 3.584 5.353 0.107 16 HD2 ARG 2 1HD ARG 2 2.244 6.230 1.855 17 HD3 ARG 2 2HD ARG 2 1.314 4.962 1.025 18 HE ARG 2 HE ARG 2 1.525 3.573 2.906 19 HH11 ARG 2 1HH1 ARG 2 3.130 6.665 3.363 20 HH12 ARG 2 2HH1 ARG 2 3.245 6.490 5.099 21 HH21 ARG 2 1HH2 ARG 2 1.678 3.359 5.161 22 HH22 ARG 2 2HH2 ARG 2 2.422 4.620 6.119 23 H GLU 3 H GLU 3 6.336 4.489 -0.458 24 HA GLU 3 HA GLU 3 7.743 3.479 1.975 25 HB2 GLU 3 1HB GLU 3 8.976 4.502 -0.614 26 HB3 GLU 3 2HB GLU 3 9.882 4.213 0.866 27 HG2 GLU 3 1HG GLU 3 9.159 1.821 0.775 28 HG3 GLU 3 2HG GLU 3 8.404 2.153 -0.783 29 H THR 4 H THR 4 8.459 4.951 3.423 30 HA THR 4 HA THR 4 8.610 7.787 2.639 31 HB THR 4 HB THR 4 6.245 7.438 3.462 32 HG1 THR 4 HG1 THR 4 6.474 9.435 4.096 33 HG21 THR 4 1HG2 THR 4 5.922 7.098 5.880 34 HG22 THR 4 2HG2 THR 4 6.737 5.696 5.144 35 HG23 THR 4 3HG2 THR 4 7.674 6.878 6.089 36 H LYS 5 H LYS 5 9.108 9.042 4.897 37 HA LYS 5 HA LYS 5 11.186 7.467 6.325 38 HB2 LYS 5 1HB LYS 5 11.663 10.132 4.932 39 HB3 LYS 5 2HB LYS 5 12.788 9.378 6.052 40 HG2 LYS 5 1HG LYS 5 12.986 7.432 4.524 41 HG3 LYS 5 2HG LYS 5 11.894 8.237 3.388 42 HD2 LYS 5 1HD LYS 5 13.481 10.140 3.228 43 HD3 LYS 5 2HD LYS 5 14.578 9.308 4.339 44 HE2 LYS 5 1HE LYS 5 14.809 7.446 2.751 45 HE3 LYS 5 2HE LYS 5 13.666 8.219 1.650 46 HZ1 LYS 5 1HZ LYS 5 15.925 8.631 1.006 47 HZ2 LYS 5 2HZ LYS 5 15.201 10.050 1.434 48 HZ3 LYS 5 3HZ LYS 5 16.270 9.327 2.460 49 H VAL 6 H VAL 6 11.341 7.879 8.424 50 HA VAL 6 HA VAL 6 10.000 10.344 9.446 51 HB VAL 6 HB VAL 6 9.847 7.535 10.620 52 HG11 VAL 6 1HG1 VAL 6 8.419 8.527 12.342 53 HG12 VAL 6 2HG1 VAL 6 10.068 9.193 12.380 54 HG13 VAL 6 3HG1 VAL 6 8.740 10.145 11.675 55 HG21 VAL 6 1HG2 VAL 6 7.423 7.789 10.192 56 HG22 VAL 6 2HG2 VAL 6 7.722 9.382 9.456 57 HG23 VAL 6 3HG2 VAL 6 8.360 7.910 8.684 58 H THR 7 H THR 7 11.155 11.522 10.828 59 HA THR 7 HA THR 7 13.661 10.335 11.912 60 HB THR 7 HB THR 7 12.780 13.250 11.738 61 HG1 THR 7 HG1 THR 7 15.014 12.282 10.382 62 HG21 THR 7 1HG2 THR 7 15.096 13.745 12.415 63 HG22 THR 7 2HG2 THR 7 14.252 12.810 13.672 64 HG23 THR 7 3HG2 THR 7 15.419 12.006 12.597 65 H VAL 8 H VAL 8 13.858 9.807 13.961 66 HA VAL 8 HA VAL 8 11.848 10.915 15.877 67 HB VAL 8 HB VAL 8 13.246 8.208 15.970 68 HG11 VAL 8 1HG1 VAL 8 11.734 7.735 17.835 69 HG12 VAL 8 2HG1 VAL 8 12.817 9.103 18.186 70 HG13 VAL 8 3HG1 VAL 8 11.116 9.401 17.755 71 HG21 VAL 8 1HG2 VAL 8 10.991 7.299 15.508 72 HG22 VAL 8 2HG2 VAL 8 10.357 8.955 15.353 73 HG23 VAL 8 3HG2 VAL 8 11.549 8.344 14.180 74 H ASN 9 H ASN 9 12.601 12.067 17.513 75 HA ASN 9 HA ASN 9 15.482 12.408 17.835 76 HB2 ASN 9 1HB ASN 9 13.091 13.548 19.314 77 HB3 ASN 9 2HB ASN 9 14.757 13.946 19.712 78 HD21 ASN 9 1HD2 ASN 9 13.190 16.395 17.297 79 HD22 ASN 9 2HD2 ASN 9 12.616 15.672 18.762 80 HA PRO 10 HA PRO 10 16.567 9.560 20.871 81 HB2 PRO 10 1HB PRO 10 17.540 11.977 22.458 82 HB3 PRO 10 2HB PRO 10 18.372 10.446 22.151 83 HG2 PRO 10 1HG PRO 10 19.070 12.548 20.690 84 HG3 PRO 10 2HG PRO 10 18.846 10.997 19.878 85 HD2 PRO 10 1HD PRO 10 16.958 13.379 20.023 86 HD3 PRO 10 2HD PRO 10 17.343 12.310 18.613 87 H GLY 11 H GLY 11 15.359 8.594 22.400 88 HA2 GLY 11 1HA GLY 11 14.263 8.429 24.499 89 HA3 GLY 11 2HA GLY 11 14.166 10.177 24.589 90 H GLU 12 H GLU 12 13.169 10.119 21.669 91 HA GLU 12 HA GLU 12 10.337 10.032 22.503 92 HB2 GLU 12 1HB GLU 12 11.635 11.073 19.952 93 HB3 GLU 12 2HB GLU 12 9.931 11.223 20.358 94 HG2 GLU 12 1HG GLU 12 12.188 12.405 21.991 95 HG3 GLU 12 2HG GLU 12 11.278 13.273 20.756 96 H GLU 13 H GLU 13 8.720 9.300 20.840 97 HA GLU 13 HA GLU 13 9.714 6.916 19.350 98 HB2 GLU 13 1HB GLU 13 7.217 7.010 21.094 99 HB3 GLU 13 2HB GLU 13 7.700 5.662 20.074 100 HG2 GLU 13 1HG GLU 13 9.793 5.455 21.424 101 HG3 GLU 13 2HG GLU 13 9.179 6.716 22.492 102 H TYR 14 H TYR 14 8.694 6.458 17.425 103 HA TYR 14 HA TYR 14 6.260 8.082 16.810 104 HB2 TYR 14 1HB TYR 14 8.100 8.700 15.309 105 HB3 TYR 14 2HB TYR 14 8.373 7.013 14.896 106 HD1 TYR 14 HD1 TYR 14 6.075 9.876 14.521 107 HD2 TYR 14 HD2 TYR 14 6.989 5.861 13.316 108 HE1 TYR 14 HE1 TYR 14 4.475 10.074 12.648 109 HE2 TYR 14 HE2 TYR 14 5.390 6.059 11.443 110 HH TYR 14 HH TYR 14 3.535 9.048 10.915 111 H GLU 15 H GLU 15 4.468 7.081 16.074 112 HA GLU 15 HA GLU 15 4.509 4.114 16.280 113 HB2 GLU 15 1HB GLU 15 2.224 6.122 16.356 114 HB3 GLU 15 2HB GLU 15 1.999 4.379 16.384 115 HG2 GLU 15 1HG GLU 15 3.306 4.256 18.480 116 HG3 GLU 15 2HG GLU 15 3.481 6.010 18.457 117 H VAL 16 H VAL 16 4.628 2.970 14.501 118 HA VAL 16 HA VAL 16 3.863 4.204 11.926 119 HB VAL 16 HB VAL 16 5.160 1.512 12.538 120 HG11 VAL 16 1HG1 VAL 16 5.706 1.468 10.153 121 HG12 VAL 16 2HG1 VAL 16 3.950 1.477 10.433 122 HG13 VAL 16 3HG1 VAL 16 4.776 2.965 9.912 123 HG21 VAL 16 1HG2 VAL 16 7.227 2.615 11.742 124 HG22 VAL 16 2HG2 VAL 16 6.339 4.146 11.558 125 HG23 VAL 16 3HG2 VAL 16 6.568 3.440 13.175 126 H LYS 17 H LYS 17 1.943 3.918 11.047 127 HA LYS 17 HA LYS 17 0.055 2.020 12.193 128 HB2 LYS 17 1HB LYS 17 -0.636 4.265 11.364 129 HB3 LYS 17 2HB LYS 17 -0.186 3.797 9.730 130 HG2 LYS 17 1HG LYS 17 -1.912 2.059 9.722 131 HG3 LYS 17 2HG LYS 17 -2.338 2.454 11.392 132 HD2 LYS 17 1HD LYS 17 -2.957 4.747 10.696 133 HD3 LYS 17 2HD LYS 17 -2.526 4.355 9.024 134 HE2 LYS 17 1HE LYS 17 -4.254 2.575 9.006 135 HE3 LYS 17 2HE LYS 17 -4.694 2.991 10.665 136 HZ1 LYS 17 1HZ LYS 17 -6.149 4.022 9.080 137 HZ2 LYS 17 2HZ LYS 17 -5.300 5.180 9.892 138 HZ3 LYS 17 3HZ LYS 17 -4.890 4.791 8.343 139 H VAL 18 H VAL 18 -0.348 0.016 11.614 140 HA VAL 18 HA VAL 18 0.566 -0.857 8.903 141 HB VAL 18 HB VAL 18 0.233 -2.552 11.414 142 HG11 VAL 18 1HG1 VAL 18 1.330 -4.304 10.104 143 HG12 VAL 18 2HG1 VAL 18 -0.213 -3.794 9.377 144 HG13 VAL 18 3HG1 VAL 18 1.328 -3.238 8.679 145 HG21 VAL 18 1HG2 VAL 18 2.704 -2.677 11.376 146 HG22 VAL 18 2HG2 VAL 18 2.737 -1.557 9.993 147 HG23 VAL 18 3HG2 VAL 18 2.148 -0.998 11.577 148 H ASN 19 H ASN 19 -0.990 -1.314 7.523 149 HA ASN 19 HA ASN 19 -3.760 -1.463 8.451 150 HB2 ASN 19 1HB ASN 19 -2.468 -1.572 5.712 151 HB3 ASN 19 2HB ASN 19 -4.198 -1.780 5.956 152 HD21 ASN 19 1HD2 ASN 19 -2.742 1.859 5.594 153 HD22 ASN 19 2HD2 ASN 19 -1.981 0.393 5.072 154 HA PRO 20 HA PRO 20 -4.125 -5.759 9.026 155 HB2 PRO 20 1HB PRO 20 -6.868 -5.202 7.815 156 HB3 PRO 20 2HB PRO 20 -6.463 -6.165 9.241 157 HG2 PRO 20 1HG PRO 20 -7.399 -3.715 9.629 158 HG3 PRO 20 2HG PRO 20 -6.011 -4.244 10.583 159 HD2 PRO 20 1HD PRO 20 -6.077 -2.464 8.117 160 HD3 PRO 20 2HD PRO 20 -5.092 -2.288 9.624 161 H GLY 21 H GLY 21 -3.567 -7.432 7.740 162 HA2 GLY 21 1HA GLY 21 -3.774 -8.862 5.846 163 HA3 GLY 21 2HA GLY 21 -4.568 -7.577 4.957 164 H THR 22 H THR 22 -2.212 -5.851 6.217 165 HA THR 22 HA THR 22 -0.314 -6.488 4.000 166 HB THR 22 HB THR 22 0.275 -4.144 3.917 167 HG1 THR 22 HG1 THR 22 -1.052 -4.110 6.380 168 HG21 THR 22 1HG2 THR 22 -1.889 -3.117 3.337 169 HG22 THR 22 2HG2 THR 22 -1.788 -4.783 2.719 170 HG23 THR 22 3HG2 THR 22 -2.742 -4.431 4.177 171 H ARG 23 H ARG 23 1.959 -5.725 4.417 172 HA ARG 23 HA ARG 23 2.661 -5.888 7.313 173 HB2 ARG 23 1HB ARG 23 4.593 -7.236 6.823 174 HB3 ARG 23 2HB ARG 23 3.180 -8.038 6.151 175 HG2 ARG 23 1HG ARG 23 3.771 -7.173 3.909 176 HG3 ARG 23 2HG ARG 23 5.228 -6.426 4.607 177 HD2 ARG 23 1HD ARG 23 5.951 -8.651 5.363 178 HD3 ARG 23 2HD ARG 23 4.541 -9.353 4.536 179 HE ARG 23 HE ARG 23 6.020 -7.725 2.731 180 HH11 ARG 23 1HH1 ARG 23 6.172 -10.807 4.409 181 HH12 ARG 23 2HH1 ARG 23 7.172 -11.564 3.190 182 HH21 ARG 23 1HH2 ARG 23 7.319 -8.719 1.155 183 HH22 ARG 23 2HH2 ARG 23 7.823 -10.382 1.347 184 H VAL 24 H VAL 24 4.562 -4.784 7.940 185 HA VAL 24 HA VAL 24 5.558 -2.815 5.927 186 HB VAL 24 HB VAL 24 4.864 -2.248 8.842 187 HG11 VAL 24 1HG1 VAL 24 5.451 0.070 8.319 188 HG12 VAL 24 2HG1 VAL 24 6.839 -1.027 8.136 189 HG13 VAL 24 3HG1 VAL 24 5.979 -0.430 6.696 190 HG21 VAL 24 1HG2 VAL 24 3.151 -0.748 7.872 191 HG22 VAL 24 2HG2 VAL 24 3.612 -1.282 6.238 192 HG23 VAL 24 3HG2 VAL 24 2.882 -2.436 7.379 193 H GLU 25 H GLU 25 7.704 -2.564 5.838 194 HA GLU 25 HA GLU 25 9.318 -3.736 8.064 195 HB2 GLU 25 1HB GLU 25 9.693 -4.799 5.854 196 HB3 GLU 25 2HB GLU 25 10.098 -3.235 5.161 197 HG2 GLU 25 1HG GLU 25 12.059 -3.065 6.596 198 HG3 GLU 25 2HG GLU 25 11.634 -4.577 7.396 199 H ILE 26 H ILE 26 10.524 -2.459 9.273 200 HA ILE 26 HA ILE 26 11.025 0.316 8.283 201 HB ILE 26 HB ILE 26 10.525 -0.538 11.168 202 HG12 ILE 26 1HG1 ILE 26 8.539 1.219 10.508 203 HG13 ILE 26 2HG1 ILE 26 8.717 0.325 9.007 204 HG21 ILE 26 1HG2 ILE 26 10.488 1.884 11.604 205 HG22 ILE 26 2HG2 ILE 26 12.061 1.378 10.945 206 HG23 ILE 26 3HG2 ILE 26 10.881 2.202 9.897 207 HD11 ILE 26 1HD1 ILE 26 7.029 -0.687 10.436 208 HD12 ILE 26 2HD1 ILE 26 8.407 -1.792 10.215 209 HD13 ILE 26 3HD1 ILE 26 8.226 -0.887 11.736 210 H GLN 27 H GLN 27 13.078 0.761 7.979 211 HA GLN 27 HA GLN 27 15.106 -0.801 9.502 212 HB2 GLN 27 1HB GLN 27 15.264 -0.820 7.010 213 HB3 GLN 27 2HB GLN 27 15.444 0.928 7.018 214 HG2 GLN 27 1HG GLN 27 17.537 0.745 8.246 215 HG3 GLN 27 2HG GLN 27 17.345 -1.029 8.327 216 HE21 GLN 27 1HE2 GLN 27 19.449 -1.131 5.529 217 HE22 GLN 27 2HE2 GLN 27 19.271 -1.437 7.226 218 H ALA 28 H ALA 28 16.314 0.089 11.023 219 HA ALA 28 HA ALA 28 15.641 2.841 11.774 220 HB1 ALA 28 1HB ALA 28 16.919 2.333 13.830 221 HB2 ALA 28 2HB ALA 28 15.692 1.089 13.492 222 HB3 ALA 28 3HB ALA 28 17.404 0.770 13.133 223 H LYS 29 H LYS 29 18.392 1.068 10.478 224 HA LYS 29 HA LYS 29 20.574 1.676 10.064 225 HB2 LYS 29 1HB LYS 29 19.365 4.450 9.721 226 HB3 LYS 29 2HB LYS 29 20.942 3.935 9.139 227 HG2 LYS 29 1HG LYS 29 19.757 2.213 7.715 228 HG3 LYS 29 2HG LYS 29 18.233 2.979 8.186 229 HD2 LYS 29 1HD LYS 29 20.539 4.490 6.910 230 HD3 LYS 29 2HD LYS 29 19.210 3.773 5.988 231 HE2 LYS 29 1HE LYS 29 17.592 5.138 7.295 232 HE3 LYS 29 2HE LYS 29 18.938 5.883 8.160 233 HZ1 LYS 29 1HZ LYS 29 18.197 7.242 6.347 234 HZ2 LYS 29 2HZ LYS 29 19.740 6.733 6.065 235 HZ3 LYS 29 3HZ LYS 29 18.482 6.039 5.256 236 H GLY 30 H GLY 30 19.646 1.696 12.815 237 HA2 GLY 30 1HA GLY 30 21.919 2.672 14.142 238 HA3 GLY 30 2HA GLY 30 20.754 3.980 14.198 239 HA PRO 31 HA PRO 31 20.203 0.791 17.663 240 HB2 PRO 31 1HB PRO 31 20.346 3.422 19.184 241 HB3 PRO 31 2HB PRO 31 20.950 1.829 19.659 242 HG2 PRO 31 1HG PRO 31 22.701 3.616 18.760 243 HG3 PRO 31 2HG PRO 31 22.828 1.948 18.200 244 HD2 PRO 31 1HD PRO 31 21.608 4.356 16.790 245 HD3 PRO 31 2HD PRO 31 22.677 3.061 16.115 246 H ALA 32 H ALA 32 18.131 0.254 18.018 247 HA ALA 32 HA ALA 32 16.101 2.241 18.641 248 HB1 ALA 32 1HB ALA 32 14.646 1.732 16.704 249 HB2 ALA 32 2HB ALA 32 16.174 2.493 16.201 250 HB3 ALA 32 3HB ALA 32 15.944 0.741 15.999 251 H GLU 33 H GLU 33 14.173 1.360 19.413 252 HA GLU 33 HA GLU 33 14.134 -1.626 19.588 253 HB2 GLU 33 1HB GLU 33 14.530 -0.516 21.792 254 HB3 GLU 33 2HB GLU 33 13.020 0.366 21.605 255 HG2 GLU 33 1HG GLU 33 11.765 -1.733 21.620 256 HG3 GLU 33 2HG GLU 33 13.267 -2.647 21.741 257 H PHE 34 H PHE 34 12.352 -2.675 18.960 258 HA PHE 34 HA PHE 34 10.133 -0.963 17.923 259 HB2 PHE 34 1HB PHE 34 11.163 -3.638 16.899 260 HB3 PHE 34 2HB PHE 34 9.739 -2.815 16.281 261 HD1 PHE 34 HD1 PHE 34 13.409 -2.419 16.754 262 HD2 PHE 34 HD2 PHE 34 9.924 -1.198 14.607 263 HE1 PHE 34 HE1 PHE 34 14.828 -1.155 15.172 264 HE2 PHE 34 HE2 PHE 34 11.340 0.064 13.022 265 HZ PHE 34 HZ PHE 34 13.793 0.087 13.306 266 H GLU 35 H GLU 35 8.201 -1.211 18.785 267 HA GLU 35 HA GLU 35 7.487 -3.807 20.028 268 HB2 GLU 35 1HB GLU 35 8.474 -2.402 21.836 269 HB3 GLU 35 2HB GLU 35 7.303 -1.137 21.486 270 HG2 GLU 35 1HG GLU 35 5.470 -2.588 22.148 271 HG3 GLU 35 2HG GLU 35 6.583 -3.934 22.388 272 H GLY 36 H GLY 36 5.459 -4.391 19.641 273 HA2 GLY 36 1HA GLY 36 3.146 -3.011 19.995 274 HA3 GLY 36 2HA GLY 36 3.599 -2.477 18.388 275 H GLY 37 H GLY 37 1.269 -4.024 19.125 276 HA2 GLY 37 1HA GLY 37 0.037 -5.635 17.976 277 HA3 GLY 37 2HA GLY 37 1.440 -5.965 16.979 278 H GLY 38 H GLY 38 2.050 -6.056 20.356 279 HA2 GLY 38 1HA GLY 38 2.076 -7.885 21.878 280 HA3 GLY 38 2HA GLY 38 1.545 -8.960 20.599 281 H THR 39 H THR 39 3.883 -7.151 19.180 282 HA THR 39 HA THR 39 5.974 -9.181 19.827 283 HB THR 39 HB THR 39 5.600 -7.488 17.318 284 HG1 THR 39 HG1 THR 39 4.177 -9.190 17.294 285 HG21 THR 39 1HG2 THR 39 7.475 -8.807 16.417 286 HG22 THR 39 2HG2 THR 39 7.985 -7.867 17.840 287 HG23 THR 39 3HG2 THR 39 7.671 -9.612 17.990 288 H ARG 40 H ARG 40 7.913 -8.609 20.571 289 HA ARG 40 HA ARG 40 8.715 -5.758 20.413 290 HB2 ARG 40 1HB ARG 40 7.586 -6.077 22.610 291 HB3 ARG 40 2HB ARG 40 8.726 -7.356 22.999 292 HG2 ARG 40 1HG ARG 40 10.574 -5.779 22.988 293 HG3 ARG 40 2HG ARG 40 9.483 -4.471 22.470 294 HD2 ARG 40 1HD ARG 40 8.198 -4.757 24.526 295 HD3 ARG 40 2HD ARG 40 9.341 -6.017 25.047 296 HE ARG 40 HE ARG 40 10.825 -3.715 24.417 297 HH11 ARG 40 1HH1 ARG 40 8.433 -4.771 26.762 298 HH12 ARG 40 2HH1 ARG 40 9.008 -3.698 28.018 299 HH21 ARG 40 1HH2 ARG 40 11.562 -2.327 26.056 300 HH22 ARG 40 2HH2 ARG 40 10.779 -2.314 27.619 301 H THR 41 H THR 41 10.740 -5.569 19.764 302 HA THR 41 HA THR 41 12.786 -7.391 20.813 303 HB THR 41 HB THR 41 12.355 -7.176 17.801 304 HG1 THR 41 HG1 THR 41 11.464 -8.947 19.711 305 HG21 THR 41 1HG2 THR 41 14.195 -8.811 17.686 306 HG22 THR 41 2HG2 THR 41 14.731 -7.304 18.467 307 HG23 THR 41 3HG2 THR 41 14.374 -8.740 19.454 308 H ARG 42 H ARG 42 14.677 -6.396 21.106 309 HA ARG 42 HA ARG 42 15.015 -3.669 20.026 310 HB2 ARG 42 1HB ARG 42 15.599 -4.097 22.375 311 HB3 ARG 42 2HB ARG 42 16.757 -5.324 21.885 312 HG2 ARG 42 1HG ARG 42 18.238 -3.732 20.975 313 HG3 ARG 42 2HG ARG 42 16.998 -2.454 20.980 314 HD2 ARG 42 1HD ARG 42 18.064 -3.781 23.458 315 HD3 ARG 42 2HD ARG 42 18.704 -2.272 22.770 316 HE ARG 42 HE ARG 42 15.880 -2.084 23.121 317 HH11 ARG 42 1HH1 ARG 42 18.895 -2.094 24.925 318 HH12 ARG 42 2HH1 ARG 42 18.260 -1.126 26.235 319 HH21 ARG 42 1HH2 ARG 42 15.068 -0.827 24.829 320 HH22 ARG 42 2HH2 ARG 42 16.093 -0.408 26.182 321 H LEU 43 H LEU 43 16.325 -3.105 18.400 322 HA LEU 43 HA LEU 43 17.642 -5.383 16.988 323 HB2 LEU 43 1HB LEU 43 16.042 -3.028 16.079 324 HB3 LEU 43 2HB LEU 43 17.378 -3.539 15.044 325 HG LEU 43 HG LEU 43 16.347 -5.862 15.040 326 HD11 LEU 43 1HD1 LEU 43 13.979 -6.015 15.670 327 HD12 LEU 43 2HD1 LEU 43 15.008 -5.619 17.067 328 HD13 LEU 43 3HD1 LEU 43 14.037 -4.347 16.288 329 HD21 LEU 43 1HD2 LEU 43 14.632 -5.218 13.381 330 HD22 LEU 43 2HD2 LEU 43 14.697 -3.538 13.966 331 HD23 LEU 43 3HD2 LEU 43 16.116 -4.259 13.171 332 H ASN 44 H ASN 44 19.608 -5.039 15.894 333 HA ASN 44 HA ASN 44 21.287 -2.936 17.111 334 HB2 ASN 44 1HB ASN 44 21.989 -5.189 15.199 335 HB3 ASN 44 2HB ASN 44 23.142 -4.092 15.947 336 HD21 ASN 44 1HD2 ASN 44 21.926 -7.372 17.869 337 HD22 ASN 44 2HD2 ASN 44 21.583 -7.031 16.206 338 HA PRO 45 HA PRO 45 21.393 0.015 13.955 339 HB2 PRO 45 1HB PRO 45 24.393 -0.524 13.833 340 HB3 PRO 45 2HB PRO 45 23.548 1.029 13.893 341 HG2 PRO 45 1HG PRO 45 24.630 0.119 16.137 342 HG3 PRO 45 2HG PRO 45 23.002 0.799 16.206 343 HD2 PRO 45 1HD PRO 45 23.861 -2.119 16.152 344 HD3 PRO 45 2HD PRO 45 22.570 -1.328 17.142 345 H GLY 46 H GLY 46 20.986 -0.119 11.814 346 HA2 GLY 46 1HA GLY 46 21.586 -0.697 9.549 347 HA3 GLY 46 2HA GLY 46 22.508 -2.064 10.148 348 H GLU 47 H GLU 47 20.319 -2.828 12.045 349 HA GLU 47 HA GLU 47 19.140 -4.730 10.206 350 HB2 GLU 47 1HB GLU 47 18.693 -4.235 13.175 351 HB3 GLU 47 2HB GLU 47 17.975 -5.567 12.281 352 HG2 GLU 47 1HG GLU 47 20.173 -6.479 11.790 353 HG3 GLU 47 2HG GLU 47 20.951 -5.098 12.559 354 H SER 48 H SER 48 16.933 -5.131 9.823 355 HA SER 48 HA SER 48 15.187 -2.739 10.240 356 HB2 SER 48 1HB SER 48 13.988 -3.394 8.226 357 HB3 SER 48 2HB SER 48 15.696 -3.188 7.870 358 HG SER 48 HG SER 48 14.474 -5.139 7.140 359 H TYR 49 H TYR 49 12.993 -3.070 10.733 360 HA TYR 49 HA TYR 49 12.469 -5.730 11.988 361 HB2 TYR 49 1HB TYR 49 12.500 -3.964 13.650 362 HB3 TYR 49 2HB TYR 49 11.431 -2.959 12.682 363 HD1 TYR 49 HD1 TYR 49 11.603 -6.161 14.572 364 HD2 TYR 49 HD2 TYR 49 9.099 -3.119 12.873 365 HE1 TYR 49 HE1 TYR 49 9.644 -7.127 15.728 366 HE2 TYR 49 HE2 TYR 49 7.140 -4.086 14.029 367 HH TYR 49 HH TYR 49 6.427 -5.616 15.475 368 H LYS 50 H LYS 50 10.857 -6.947 11.313 369 HA LYS 50 HA LYS 50 8.948 -5.723 9.366 370 HB2 LYS 50 1HB LYS 50 9.932 -8.593 9.613 371 HB3 LYS 50 2HB LYS 50 8.644 -8.081 8.531 372 HG2 LYS 50 1HG LYS 50 10.220 -6.607 7.338 373 HG3 LYS 50 2HG LYS 50 11.516 -7.113 8.430 374 HD2 LYS 50 1HD LYS 50 11.248 -9.450 7.680 375 HD3 LYS 50 2HD LYS 50 9.931 -8.960 6.605 376 HE2 LYS 50 1HE LYS 50 11.470 -7.515 5.344 377 HE3 LYS 50 2HE LYS 50 12.789 -7.937 6.438 378 HZ1 LYS 50 1HZ LYS 50 12.861 -9.227 4.433 379 HZ2 LYS 50 2HZ LYS 50 12.578 -10.217 5.721 380 HZ3 LYS 50 3HZ LYS 50 11.346 -9.822 4.698 381 H PHE 51 H PHE 51 6.800 -5.922 9.633 382 HA PHE 51 HA PHE 51 5.788 -7.854 11.630 383 HB2 PHE 51 1HB PHE 51 6.086 -5.766 12.911 384 HB3 PHE 51 2HB PHE 51 5.148 -4.878 11.720 385 HD1 PHE 51 HD1 PHE 51 4.987 -7.449 14.362 386 HD2 PHE 51 HD2 PHE 51 2.764 -4.946 11.706 387 HE1 PHE 51 HE1 PHE 51 2.916 -7.965 15.611 388 HE2 PHE 51 HE2 PHE 51 0.692 -5.459 12.956 389 HZ PHE 51 HZ PHE 51 0.769 -6.971 14.907 390 H GLU 52 H GLU 52 3.908 -8.766 11.069 391 HA GLU 52 HA GLU 52 2.386 -7.482 8.838 392 HB2 GLU 52 1HB GLU 52 3.463 -9.610 8.153 393 HB3 GLU 52 2HB GLU 52 2.664 -10.447 9.475 394 HG2 GLU 52 1HG GLU 52 0.487 -10.026 8.493 395 HG3 GLU 52 2HG GLU 52 1.214 -9.050 7.219 396 H ASN 53 H ASN 53 0.307 -7.040 9.141 397 HA ASN 53 HA ASN 53 -0.759 -7.551 11.850 398 HB2 ASN 53 1HB ASN 53 -0.823 -5.258 10.918 399 HB3 ASN 53 2HB ASN 53 -1.827 -5.824 9.591 400 HD21 ASN 53 1HD2 ASN 53 -4.020 -4.336 12.156 401 HD22 ASN 53 2HD2 ASN 53 -2.701 -3.799 11.171 402 H LEU 54 H LEU 54 -1.630 -9.483 12.096 403 HA LEU 54 HA LEU 54 -3.257 -10.591 9.869 404 HB2 LEU 54 1HB LEU 54 -2.149 -11.906 12.376 405 HB3 LEU 54 2HB LEU 54 -3.075 -12.731 11.117 406 HG LEU 54 HG LEU 54 -0.344 -11.447 10.750 407 HD11 LEU 54 1HD1 LEU 54 0.433 -13.767 10.555 408 HD12 LEU 54 2HD1 LEU 54 -0.283 -13.445 12.152 409 HD13 LEU 54 3HD1 LEU 54 -1.206 -14.348 10.928 410 HD21 LEU 54 1HD2 LEU 54 -0.430 -12.546 8.538 411 HD22 LEU 54 2HD2 LEU 54 -2.082 -13.111 8.881 412 HD23 LEU 54 3HD2 LEU 54 -1.752 -11.370 8.719 413 H THR 55 H THR 55 -3.947 -8.530 12.119 414 HA THR 55 HA THR 55 -6.288 -9.983 13.251 415 HB THR 55 HB THR 55 -6.421 -8.239 14.925 416 HG1 THR 55 HG1 THR 55 -4.612 -6.920 13.190 417 HG21 THR 55 1HG2 THR 55 -4.204 -8.417 15.986 418 HG22 THR 55 2HG2 THR 55 -4.712 -9.982 15.308 419 HG23 THR 55 3HG2 THR 55 -3.510 -8.990 14.453 420 H SER 56 H SER 56 -8.187 -8.355 13.685 421 HA SER 56 HA SER 56 -9.013 -7.476 11.001 422 HB2 SER 56 1HB SER 56 -11.219 -7.277 11.955 423 HB3 SER 56 2HB SER 56 -10.519 -8.801 12.480 424 HG SER 56 HG SER 56 -11.275 -7.958 14.268 425 H GLN 57 H GLN 57 -7.621 -6.094 13.789 426 HA GLN 57 HA GLN 57 -8.712 -3.403 13.092 427 HB2 GLN 57 1HB GLN 57 -7.416 -4.296 15.698 428 HB3 GLN 57 2HB GLN 57 -8.162 -2.735 15.381 429 HG2 GLN 57 1HG GLN 57 -9.610 -5.391 15.384 430 HG3 GLN 57 2HG GLN 57 -9.596 -4.199 16.712 431 HE21 GLN 57 1HE2 GLN 57 -12.388 -3.958 13.906 432 HE22 GLN 57 2HE2 GLN 57 -11.445 -5.362 14.281 433 HA PRO 58 HA PRO 58 -4.774 -1.958 11.783 434 HB2 PRO 58 1HB PRO 58 -5.538 0.497 13.393 435 HB3 PRO 58 2HB PRO 58 -4.956 0.395 11.727 436 HG2 PRO 58 1HG PRO 58 -7.550 0.817 12.123 437 HG3 PRO 58 2HG PRO 58 -7.059 -0.349 10.888 438 HD2 PRO 58 1HD PRO 58 -8.002 -0.865 13.743 439 HD3 PRO 58 2HD PRO 58 -8.493 -1.701 12.215 440 H LEU 59 H LEU 59 -2.736 -1.984 12.647 441 HA LEU 59 HA LEU 59 -2.498 -1.740 15.616 442 HB2 LEU 59 1HB LEU 59 -0.951 -3.599 13.774 443 HB3 LEU 59 2HB LEU 59 -0.670 -3.405 15.507 444 HG LEU 59 HG LEU 59 -3.232 -4.477 14.274 445 HD11 LEU 59 1HD1 LEU 59 -2.446 -6.651 15.101 446 HD12 LEU 59 2HD1 LEU 59 -1.338 -5.969 13.887 447 HD13 LEU 59 3HD1 LEU 59 -0.916 -5.901 15.615 448 HD21 LEU 59 1HD2 LEU 59 -3.737 -5.114 16.608 449 HD22 LEU 59 2HD2 LEU 59 -2.225 -4.342 17.145 450 HD23 LEU 59 3HD2 LEU 59 -3.533 -3.352 16.454 451 H ARG 60 H ARG 60 -0.361 -1.097 16.382 452 HA ARG 60 HA ARG 60 1.047 0.632 14.397 453 HB2 ARG 60 1HB ARG 60 0.205 1.395 17.214 454 HB3 ARG 60 2HB ARG 60 1.271 2.351 16.195 455 HG2 ARG 60 1HG ARG 60 -0.558 2.604 14.545 456 HG3 ARG 60 2HG ARG 60 -1.633 1.698 15.640 457 HD2 ARG 60 1HD ARG 60 -1.194 3.390 17.379 458 HD3 ARG 60 2HD ARG 60 -0.261 4.318 16.183 459 HE ARG 60 HE ARG 60 -2.789 3.768 15.079 460 HH11 ARG 60 1HH1 ARG 60 -1.375 5.620 17.706 461 HH12 ARG 60 2HH1 ARG 60 -2.629 6.839 17.690 462 HH21 ARG 60 1HH2 ARG 60 -4.413 5.356 15.067 463 HH22 ARG 60 2HH2 ARG 60 -4.351 6.690 16.197 464 H ILE 61 H ILE 61 3.216 0.667 14.509 465 HA ILE 61 HA ILE 61 4.468 -0.890 16.725 466 HB ILE 61 HB ILE 61 5.568 -0.258 13.951 467 HG12 ILE 61 1HG1 ILE 61 3.719 -1.822 13.825 468 HG13 ILE 61 2HG1 ILE 61 5.242 -2.629 13.488 469 HG21 ILE 61 1HG2 ILE 61 7.346 -1.846 14.562 470 HG22 ILE 61 2HG2 ILE 61 7.324 -0.455 15.670 471 HG23 ILE 61 3HG2 ILE 61 6.642 -2.015 16.189 472 HD11 ILE 61 1HD1 ILE 61 3.808 -4.010 14.882 473 HD12 ILE 61 2HD1 ILE 61 5.279 -3.542 15.768 474 HD13 ILE 61 3HD1 ILE 61 3.734 -2.725 16.110 475 H ARG 62 H ARG 62 5.695 0.102 18.156 476 HA ARG 62 HA ARG 62 6.125 2.985 17.892 477 HB2 ARG 62 1HB ARG 62 6.848 0.994 20.066 478 HB3 ARG 62 2HB ARG 62 7.194 2.714 20.164 479 HG2 ARG 62 1HG ARG 62 4.983 3.291 20.463 480 HG3 ARG 62 2HG ARG 62 4.376 1.828 19.650 481 HD2 ARG 62 1HD ARG 62 3.960 1.692 22.003 482 HD3 ARG 62 2HD ARG 62 5.185 0.489 21.540 483 HE ARG 62 HE ARG 62 6.401 2.937 22.398 484 HH11 ARG 62 1HH1 ARG 62 4.809 0.036 23.578 485 HH12 ARG 62 2HH1 ARG 62 5.617 0.072 25.130 486 HH21 ARG 62 1HH2 ARG 62 7.442 2.974 24.417 487 HH22 ARG 62 2HH2 ARG 62 7.108 1.734 25.605 488 H LEU 63 H LEU 63 7.910 3.999 17.271 489 HA LEU 63 HA LEU 63 10.390 2.374 16.941 490 HB2 LEU 63 1HB LEU 63 9.741 5.085 15.741 491 HB3 LEU 63 2HB LEU 63 11.122 4.054 15.354 492 HG LEU 63 HG LEU 63 8.211 3.442 14.730 493 HD11 LEU 63 1HD1 LEU 63 8.922 3.776 12.404 494 HD12 LEU 63 2HD1 LEU 63 9.142 5.250 13.378 495 HD13 LEU 63 3HD1 LEU 63 10.546 4.235 12.966 496 HD21 LEU 63 1HD2 LEU 63 9.154 1.524 13.487 497 HD22 LEU 63 2HD2 LEU 63 10.784 1.951 14.064 498 HD23 LEU 63 3HD2 LEU 63 9.541 1.416 15.221 499 H ARG 64 H ARG 64 11.372 2.455 18.892 500 HA ARG 64 HA ARG 64 11.577 5.060 20.279 501 HB2 ARG 64 1HB ARG 64 10.957 3.044 21.574 502 HB3 ARG 64 2HB ARG 64 12.478 2.285 21.127 503 HG2 ARG 64 1HG ARG 64 13.712 4.048 22.332 504 HG3 ARG 64 2HG ARG 64 12.161 4.786 22.806 505 HD2 ARG 64 1HD ARG 64 11.548 2.678 23.910 506 HD3 ARG 64 2HD ARG 64 13.159 2.036 23.512 507 HE ARG 64 HE ARG 64 13.259 4.561 24.916 508 HH11 ARG 64 1HH1 ARG 64 12.952 1.081 25.294 509 HH12 ARG 64 2HH1 ARG 64 13.580 1.078 26.928 510 HH21 ARG 64 1HH2 ARG 64 14.072 4.542 27.035 511 HH22 ARG 64 2HH2 ARG 64 14.213 3.037 27.914 512 H ASN 65 H ASN 65 13.269 6.338 20.095 513 HA ASN 65 HA ASN 65 15.662 5.370 18.685 514 HB2 ASN 65 1HB ASN 65 14.681 7.582 18.159 515 HB3 ASN 65 2HB ASN 65 14.997 8.113 19.805 516 HD21 ASN 65 1HD2 ASN 65 17.728 9.325 17.637 517 HD22 ASN 65 2HD2 ASN 65 16.008 9.517 17.711 518 H LEU 66 H LEU 66 17.216 4.359 19.695 519 HA LEU 66 HA LEU 66 17.392 4.641 22.630 520 HB2 LEU 66 1HB LEU 66 18.737 2.710 20.708 521 HB3 LEU 66 2HB LEU 66 18.883 2.658 22.467 522 HG LEU 66 HG LEU 66 16.312 2.246 20.899 523 HD11 LEU 66 1HD1 LEU 66 16.556 -0.093 21.605 524 HD12 LEU 66 2HD1 LEU 66 17.917 0.432 20.585 525 HD13 LEU 66 3HD1 LEU 66 18.126 0.295 22.347 526 HD21 LEU 66 1HD2 LEU 66 15.410 1.567 23.099 527 HD22 LEU 66 2HD2 LEU 66 16.965 1.978 23.863 528 HD23 LEU 66 3HD2 LEU 66 15.968 3.257 23.129 529 H SER 67 H SER 67 18.738 6.169 20.034 530 HA SER 67 HA SER 67 21.531 6.061 21.025 531 HB2 SER 67 1HB SER 67 22.195 6.765 18.905 532 HB3 SER 67 2HB SER 67 20.811 5.741 18.558 533 HG SER 67 HG SER 67 19.538 7.602 18.493 534 H ASP 68 H ASP 68 22.708 8.287 20.503 535 HA ASP 68 HA ASP 68 21.320 10.273 22.204 536 HB2 ASP 68 1HB ASP 68 24.187 10.108 21.191 537 HB3 ASP 68 2HB ASP 68 23.564 11.422 22.179 538 H THR 69 H THR 69 21.354 9.573 19.017 539 HA THR 69 HA THR 69 21.020 12.443 18.281 540 HB THR 69 HB THR 69 22.107 12.033 16.108 541 HG1 THR 69 HG1 THR 69 21.619 9.668 16.237 542 HG21 THR 69 1HG2 THR 69 24.426 11.780 16.902 543 HG22 THR 69 2HG2 THR 69 23.493 12.835 17.989 544 HG23 THR 69 3HG2 THR 69 23.831 11.153 18.456 545 HA PRO 70 HA PRO 70 17.221 11.387 16.415 546 HB2 PRO 70 1HB PRO 70 18.291 12.903 14.004 547 HB3 PRO 70 2HB PRO 70 16.727 13.064 14.812 548 HG2 PRO 70 1HG PRO 70 18.579 14.899 15.310 549 HG3 PRO 70 2HG PRO 70 17.646 14.252 16.664 550 HD2 PRO 70 1HD PRO 70 20.459 13.522 15.748 551 HD3 PRO 70 2HD PRO 70 19.844 13.800 17.427 552 H ILE 71 H ILE 71 16.531 9.649 15.268 553 HA ILE 71 HA ILE 71 18.456 8.421 13.342 554 HB ILE 71 HB ILE 71 16.348 7.102 15.103 555 HG12 ILE 71 1HG1 ILE 71 18.368 7.763 16.301 556 HG13 ILE 71 2HG1 ILE 71 18.231 6.016 16.179 557 HG21 ILE 71 1HG2 ILE 71 17.168 4.984 14.154 558 HG22 ILE 71 2HG2 ILE 71 16.468 6.021 12.891 559 HG23 ILE 71 3HG2 ILE 71 18.234 5.886 13.051 560 HD11 ILE 71 1HD1 ILE 71 20.521 6.744 15.814 561 HD12 ILE 71 2HD1 ILE 71 19.857 6.004 14.337 562 HD13 ILE 71 3HD1 ILE 71 19.998 7.775 14.462 563 H GLU 72 H GLU 72 17.874 8.148 11.300 564 HA GLU 72 HA GLU 72 15.131 8.941 10.527 565 HB2 GLU 72 1HB GLU 72 17.058 9.930 9.319 566 HB3 GLU 72 2HB GLU 72 17.586 8.326 8.832 567 HG2 GLU 72 1HG GLU 72 15.475 8.031 7.575 568 HG3 GLU 72 2HG GLU 72 14.991 9.661 8.033 569 H PHE 73 H PHE 73 13.624 7.441 10.499 570 HA PHE 73 HA PHE 73 14.403 4.624 10.012 571 HB2 PHE 73 1HB PHE 73 11.836 5.914 11.007 572 HB3 PHE 73 2HB PHE 73 11.980 4.196 10.669 573 HD1 PHE 73 HD1 PHE 73 13.204 6.941 12.819 574 HD2 PHE 73 HD2 PHE 73 13.064 2.720 12.180 575 HE1 PHE 73 HE1 PHE 73 14.090 6.569 15.097 576 HE2 PHE 73 HE2 PHE 73 13.948 2.343 14.457 577 HZ PHE 73 HZ PHE 73 14.463 4.269 15.916 578 H ARG 74 H ARG 74 14.156 3.662 8.129 579 HA ARG 74 HA ARG 74 12.490 4.960 6.056 580 HB2 ARG 74 1HB ARG 74 14.733 4.232 5.408 581 HB3 ARG 74 2HB ARG 74 14.388 2.591 5.933 582 HG2 ARG 74 1HG ARG 74 12.680 2.378 4.179 583 HG3 ARG 74 2HG ARG 74 13.029 4.040 3.646 584 HD2 ARG 74 1HD ARG 74 15.277 3.433 3.092 585 HD3 ARG 74 2HD ARG 74 15.029 1.796 3.739 586 HE ARG 74 HE ARG 74 13.065 2.261 1.781 587 HH11 ARG 74 1HH1 ARG 74 16.552 1.910 2.022 588 HH12 ARG 74 2HH1 ARG 74 16.725 1.261 0.405 589 HH21 ARG 74 1HH2 ARG 74 13.302 1.421 -0.316 590 HH22 ARG 74 2HH2 ARG 74 14.885 0.985 -0.918 591 H ILE 75 H ILE 75 10.465 4.382 5.719 592 HA ILE 75 HA ILE 75 9.577 1.772 6.867 593 HB ILE 75 HB ILE 75 8.015 4.365 6.501 594 HG12 ILE 75 1HG1 ILE 75 8.859 2.969 9.049 595 HG13 ILE 75 2HG1 ILE 75 9.719 4.326 8.337 596 HG21 ILE 75 1HG2 ILE 75 6.209 3.185 7.688 597 HG22 ILE 75 2HG2 ILE 75 6.604 2.372 6.156 598 HG23 ILE 75 3HG2 ILE 75 7.182 1.695 7.696 599 HD11 ILE 75 1HD1 ILE 75 8.242 5.062 10.122 600 HD12 ILE 75 2HD1 ILE 75 7.714 5.729 8.559 601 HD13 ILE 75 3HD1 ILE 75 6.844 4.355 9.282 602 H ARG 76 H ARG 76 8.844 0.282 5.541 603 HA ARG 76 HA ARG 76 7.861 1.161 2.857 604 HB2 ARG 76 1HB ARG 76 10.071 0.136 2.628 605 HB3 ARG 76 2HB ARG 76 9.544 -1.275 3.531 606 HG2 ARG 76 1HG ARG 76 7.944 -1.831 1.746 607 HG3 ARG 76 2HG ARG 76 8.484 -0.403 0.830 608 HD2 ARG 76 1HD ARG 76 10.662 -1.291 0.589 609 HD3 ARG 76 2HD ARG 76 10.310 -2.619 1.717 610 HE ARG 76 HE ARG 76 9.037 -3.690 0.067 611 HH11 ARG 76 1HH1 ARG 76 10.323 -0.622 -1.064 612 HH12 ARG 76 2HH1 ARG 76 10.025 -0.977 -2.751 613 HH21 ARG 76 1HH2 ARG 76 8.655 -4.137 -2.126 614 HH22 ARG 76 2HH2 ARG 76 9.081 -2.966 -3.352 615 H GLU 77 H GLU 77 5.803 0.704 2.574 616 HA GLU 77 HA GLU 77 4.601 -1.482 4.194 617 HB2 GLU 77 1HB GLU 77 3.557 0.749 4.390 618 HB3 GLU 77 2HB GLU 77 3.302 0.800 2.652 619 HG2 GLU 77 1HG GLU 77 1.770 -1.100 2.795 620 HG3 GLU 77 2HG GLU 77 2.063 -1.224 4.529 621 H GLU 78 H GLU 78 3.971 -3.325 3.329 622 HA GLU 78 HA GLU 78 3.644 -3.425 0.359 623 HB2 GLU 78 1HB GLU 78 4.767 -5.559 2.219 624 HB3 GLU 78 2HB GLU 78 4.404 -5.813 0.517 625 HG2 GLU 78 1HG GLU 78 6.050 -4.058 -0.074 626 HG3 GLU 78 2HG GLU 78 6.438 -3.871 1.635 Start of MODEL 5 1 H1 THR 1 1H THR 1 -0.850 -0.825 4.068 2 H2 THR 1 2H THR 1 -1.179 0.720 3.652 3 H3 THR 1 3H THR 1 0.167 -0.009 3.086 4 HA THR 1 HA THR 1 -0.401 0.646 5.866 5 HB THR 1 HB THR 1 1.843 -0.148 6.372 6 HG1 THR 1 HG1 THR 1 1.992 -0.455 3.555 7 HG21 THR 1 1HG2 THR 1 1.589 -2.551 5.888 8 HG22 THR 1 2HG2 THR 1 0.036 -1.834 6.380 9 HG23 THR 1 3HG2 THR 1 0.353 -2.178 4.664 10 H ARG 2 H ARG 2 1.538 2.007 6.692 11 HA ARG 2 HA ARG 2 1.725 4.347 4.919 12 HB2 ARG 2 1HB ARG 2 1.240 4.620 7.334 13 HB3 ARG 2 2HB ARG 2 2.793 3.900 7.727 14 HG2 ARG 2 1HG ARG 2 3.967 5.759 6.681 15 HG3 ARG 2 2HG ARG 2 2.416 6.473 6.173 16 HD2 ARG 2 1HD ARG 2 3.230 5.940 9.021 17 HD3 ARG 2 2HD ARG 2 3.357 7.506 8.187 18 HE ARG 2 HE ARG 2 0.705 6.547 7.953 19 HH11 ARG 2 1HH1 ARG 2 2.930 7.795 10.369 20 HH12 ARG 2 2HH1 ARG 2 1.662 8.466 11.371 21 HH21 ARG 2 1HH2 ARG 2 -0.932 7.421 9.262 22 HH22 ARG 2 2HH2 ARG 2 -0.524 8.254 10.746 23 H GLU 3 H GLU 3 3.394 4.843 3.672 24 HA GLU 3 HA GLU 3 6.041 3.628 4.350 25 HB2 GLU 3 1HB GLU 3 4.935 4.381 1.614 26 HB3 GLU 3 2HB GLU 3 6.585 3.857 1.915 27 HG2 GLU 3 1HG GLU 3 5.683 1.697 2.794 28 HG3 GLU 3 2HG GLU 3 4.070 2.231 2.326 29 H THR 4 H THR 4 7.746 4.935 4.607 30 HA THR 4 HA THR 4 7.943 7.629 3.713 31 HB THR 4 HB THR 4 6.001 8.015 5.215 32 HG1 THR 4 HG1 THR 4 8.493 9.085 6.120 33 HG21 THR 4 1HG2 THR 4 6.293 7.774 7.650 34 HG22 THR 4 2HG2 THR 4 6.450 6.201 6.832 35 HG23 THR 4 3HG2 THR 4 7.902 7.063 7.391 36 H LYS 5 H LYS 5 9.854 8.673 4.437 37 HA LYS 5 HA LYS 5 11.445 7.140 6.444 38 HB2 LYS 5 1HB LYS 5 12.617 7.619 4.319 39 HB3 LYS 5 2HB LYS 5 12.316 9.339 4.525 40 HG2 LYS 5 1HG LYS 5 13.717 9.377 6.530 41 HG3 LYS 5 2HG LYS 5 13.973 7.631 6.405 42 HD2 LYS 5 1HD LYS 5 15.028 7.964 4.175 43 HD3 LYS 5 2HD LYS 5 14.812 9.712 4.351 44 HE2 LYS 5 1HE LYS 5 16.221 9.675 6.389 45 HE3 LYS 5 2HE LYS 5 16.447 7.935 6.199 46 HZ1 LYS 5 1HZ LYS 5 18.282 9.165 5.303 47 HZ2 LYS 5 2HZ LYS 5 17.507 8.361 4.089 48 HZ3 LYS 5 3HZ LYS 5 17.296 9.987 4.267 49 H VAL 6 H VAL 6 11.860 7.933 8.398 50 HA VAL 6 HA VAL 6 11.029 10.742 8.954 51 HB VAL 6 HB VAL 6 9.922 10.003 11.028 52 HG11 VAL 6 1HG1 VAL 6 7.957 8.937 10.034 53 HG12 VAL 6 2HG1 VAL 6 8.576 10.268 9.026 54 HG13 VAL 6 3HG1 VAL 6 8.896 8.578 8.565 55 HG21 VAL 6 1HG2 VAL 6 9.518 7.593 11.416 56 HG22 VAL 6 2HG2 VAL 6 10.510 7.199 9.993 57 HG23 VAL 6 3HG2 VAL 6 11.259 7.962 11.416 58 H THR 7 H THR 7 11.935 11.657 10.891 59 HA THR 7 HA THR 7 14.290 10.141 11.940 60 HB THR 7 HB THR 7 13.921 13.162 11.759 61 HG1 THR 7 HG1 THR 7 16.049 11.882 10.519 62 HG21 THR 7 1HG2 THR 7 16.245 13.254 12.573 63 HG22 THR 7 2HG2 THR 7 15.184 12.466 13.765 64 HG23 THR 7 3HG2 THR 7 16.259 11.483 12.745 65 H VAL 8 H VAL 8 14.457 9.781 14.059 66 HA VAL 8 HA VAL 8 12.309 10.955 15.777 67 HB VAL 8 HB VAL 8 13.526 8.163 15.911 68 HG11 VAL 8 1HG1 VAL 8 11.894 7.748 17.686 69 HG12 VAL 8 2HG1 VAL 8 13.049 9.027 18.128 70 HG13 VAL 8 3HG1 VAL 8 11.395 9.455 17.625 71 HG21 VAL 8 1HG2 VAL 8 11.240 7.426 15.314 72 HG22 VAL 8 2HG2 VAL 8 10.730 9.126 15.177 73 HG23 VAL 8 3HG2 VAL 8 11.933 8.464 14.046 74 H ASN 9 H ASN 9 12.904 11.904 17.618 75 HA ASN 9 HA ASN 9 15.781 12.119 18.178 76 HB2 ASN 9 1HB ASN 9 13.387 13.393 19.542 77 HB3 ASN 9 2HB ASN 9 15.072 13.770 19.878 78 HD21 ASN 9 1HD2 ASN 9 13.142 15.563 16.868 79 HD22 ASN 9 2HD2 ASN 9 12.375 14.540 18.037 80 HA PRO 10 HA PRO 10 16.387 9.270 21.339 81 HB2 PRO 10 1HB PRO 10 17.152 11.660 23.076 82 HB3 PRO 10 2HB PRO 10 17.992 10.115 22.891 83 HG2 PRO 10 1HG PRO 10 18.943 12.203 21.564 84 HG3 PRO 10 2HG PRO 10 18.809 10.660 20.715 85 HD2 PRO 10 1HD PRO 10 16.977 13.084 20.592 86 HD3 PRO 10 2HD PRO 10 17.538 12.008 19.251 87 H GLY 11 H GLY 11 14.920 8.308 22.620 88 HA2 GLY 11 1HA GLY 11 13.554 8.136 24.561 89 HA3 GLY 11 2HA GLY 11 13.461 9.884 24.654 90 H GLU 12 H GLU 12 12.871 9.934 21.652 91 HA GLU 12 HA GLU 12 9.961 9.882 22.079 92 HB2 GLU 12 1HB GLU 12 11.672 10.888 19.768 93 HB3 GLU 12 2HB GLU 12 9.920 11.003 19.818 94 HG2 GLU 12 1HG GLU 12 10.099 12.378 21.880 95 HG3 GLU 12 2HG GLU 12 11.854 12.311 21.741 96 H GLU 13 H GLU 13 8.498 9.054 20.425 97 HA GLU 13 HA GLU 13 9.637 6.742 18.921 98 HB2 GLU 13 1HB GLU 13 7.042 6.744 20.516 99 HB3 GLU 13 2HB GLU 13 7.599 5.436 19.483 100 HG2 GLU 13 1HG GLU 13 9.514 5.050 20.922 101 HG3 GLU 13 2HG GLU 13 9.094 6.445 21.912 102 H TYR 14 H TYR 14 8.820 6.366 16.915 103 HA TYR 14 HA TYR 14 6.628 8.177 16.010 104 HB2 TYR 14 1HB TYR 14 8.704 8.324 14.688 105 HB3 TYR 14 2HB TYR 14 8.667 6.590 14.401 106 HD1 TYR 14 HD1 TYR 14 6.813 9.753 13.774 107 HD2 TYR 14 HD2 TYR 14 7.443 5.669 12.621 108 HE1 TYR 14 HE1 TYR 14 5.454 10.117 11.741 109 HE2 TYR 14 HE2 TYR 14 6.085 6.033 10.589 110 HH TYR 14 HH TYR 14 4.759 9.232 9.811 111 H GLU 15 H GLU 15 4.768 7.423 15.156 112 HA GLU 15 HA GLU 15 4.230 4.550 15.652 113 HB2 GLU 15 1HB GLU 15 2.394 6.913 15.096 114 HB3 GLU 15 2HB GLU 15 1.828 5.257 15.263 115 HG2 GLU 15 1HG GLU 15 2.607 5.168 17.556 116 HG3 GLU 15 2HG GLU 15 3.342 6.762 17.407 117 H VAL 16 H VAL 16 4.285 3.123 14.082 118 HA VAL 16 HA VAL 16 3.842 4.072 11.290 119 HB VAL 16 HB VAL 16 5.078 1.480 12.315 120 HG11 VAL 16 1HG1 VAL 16 5.696 1.087 9.980 121 HG12 VAL 16 2HG1 VAL 16 3.932 1.150 10.200 122 HG13 VAL 16 3HG1 VAL 16 4.792 2.541 9.497 123 HG21 VAL 16 1HG2 VAL 16 7.182 2.439 11.435 124 HG22 VAL 16 2HG2 VAL 16 6.318 3.934 11.004 125 HG23 VAL 16 3HG2 VAL 16 6.491 3.467 12.713 126 H LYS 17 H LYS 17 2.088 3.492 10.188 127 HA LYS 17 HA LYS 17 0.080 1.894 11.660 128 HB2 LYS 17 1HB LYS 17 -0.539 4.127 10.742 129 HB3 LYS 17 2HB LYS 17 -0.191 3.550 9.118 130 HG2 LYS 17 1HG LYS 17 -1.995 1.901 9.287 131 HG3 LYS 17 2HG LYS 17 -2.321 2.407 10.950 132 HD2 LYS 17 1HD LYS 17 -2.867 4.684 10.154 133 HD3 LYS 17 2HD LYS 17 -2.530 4.185 8.490 134 HE2 LYS 17 1HE LYS 17 -4.338 2.497 8.635 135 HE3 LYS 17 2HE LYS 17 -4.680 3.007 10.290 136 HZ1 LYS 17 1HZ LYS 17 -6.160 4.034 8.726 137 HZ2 LYS 17 2HZ LYS 17 -5.223 5.186 9.444 138 HZ3 LYS 17 3HZ LYS 17 -4.905 4.709 7.897 139 H VAL 18 H VAL 18 -0.386 -0.130 11.220 140 HA VAL 18 HA VAL 18 0.139 -1.104 8.444 141 HB VAL 18 HB VAL 18 1.775 -2.064 10.056 142 HG11 VAL 18 1HG1 VAL 18 1.015 -3.582 11.819 143 HG12 VAL 18 2HG1 VAL 18 0.438 -1.918 12.077 144 HG13 VAL 18 3HG1 VAL 18 -0.675 -3.159 11.453 145 HG21 VAL 18 1HG2 VAL 18 1.345 -4.440 9.513 146 HG22 VAL 18 2HG2 VAL 18 -0.332 -4.035 9.075 147 HG23 VAL 18 3HG2 VAL 18 1.020 -3.391 8.113 148 H ASN 19 H ASN 19 -1.449 -2.234 7.464 149 HA ASN 19 HA ASN 19 -4.062 -2.185 8.860 150 HB2 ASN 19 1HB ASN 19 -3.301 -2.571 5.948 151 HB3 ASN 19 2HB ASN 19 -4.950 -2.679 6.549 152 HD21 ASN 19 1HD2 ASN 19 -3.894 0.789 5.322 153 HD22 ASN 19 2HD2 ASN 19 -3.516 -0.784 4.703 154 HA PRO 20 HA PRO 20 -4.532 -6.383 9.701 155 HB2 PRO 20 1HB PRO 20 -7.091 -6.188 8.053 156 HB3 PRO 20 2HB PRO 20 -6.852 -6.922 9.645 157 HG2 PRO 20 1HG PRO 20 -7.956 -4.512 9.547 158 HG3 PRO 20 2HG PRO 20 -6.699 -4.812 10.749 159 HD2 PRO 20 1HD PRO 20 -6.490 -3.385 8.070 160 HD3 PRO 20 2HD PRO 20 -5.747 -2.944 9.660 161 H GLY 21 H GLY 21 -3.579 -8.086 8.743 162 HA2 GLY 21 1HA GLY 21 -3.419 -9.830 7.154 163 HA3 GLY 21 2HA GLY 21 -4.391 -8.899 6.031 164 H THR 22 H THR 22 -2.326 -6.632 7.006 165 HA THR 22 HA THR 22 -0.510 -7.183 4.709 166 HB THR 22 HB THR 22 -0.163 -4.786 4.561 167 HG1 THR 22 HG1 THR 22 -1.319 -4.843 7.115 168 HG21 THR 22 1HG2 THR 22 -2.463 -4.005 4.145 169 HG22 THR 22 2HG2 THR 22 -2.235 -5.660 3.535 170 HG23 THR 22 3HG2 THR 22 -3.104 -5.387 5.062 171 H ARG 23 H ARG 23 1.701 -6.212 4.885 172 HA ARG 23 HA ARG 23 2.729 -6.408 7.685 173 HB2 ARG 23 1HB ARG 23 3.974 -7.481 5.134 174 HB3 ARG 23 2HB ARG 23 4.857 -7.305 6.643 175 HG2 ARG 23 1HG ARG 23 3.360 -8.887 7.743 176 HG3 ARG 23 2HG ARG 23 2.403 -9.034 6.251 177 HD2 ARG 23 1HD ARG 23 4.321 -9.918 5.084 178 HD3 ARG 23 2HD ARG 23 5.316 -9.726 6.546 179 HE ARG 23 HE ARG 23 3.238 -11.273 7.400 180 HH11 ARG 23 1HH1 ARG 23 5.503 -11.510 4.725 181 HH12 ARG 23 2HH1 ARG 23 5.485 -13.259 4.702 182 HH21 ARG 23 1HH2 ARG 23 3.222 -13.542 7.359 183 HH22 ARG 23 2HH2 ARG 23 4.194 -14.411 6.192 184 H VAL 24 H VAL 24 4.518 -5.107 8.213 185 HA VAL 24 HA VAL 24 5.393 -3.170 6.131 186 HB VAL 24 HB VAL 24 3.667 -2.067 7.566 187 HG11 VAL 24 1HG1 VAL 24 4.163 -1.606 9.917 188 HG12 VAL 24 2HG1 VAL 24 3.998 -3.349 9.601 189 HG13 VAL 24 3HG1 VAL 24 5.614 -2.630 9.811 190 HG21 VAL 24 1HG2 VAL 24 5.044 -0.097 8.156 191 HG22 VAL 24 2HG2 VAL 24 6.518 -1.080 7.989 192 HG23 VAL 24 3HG2 VAL 24 5.503 -0.750 6.565 193 H GLU 25 H GLU 25 7.524 -2.742 6.120 194 HA GLU 25 HA GLU 25 9.139 -3.930 8.335 195 HB2 GLU 25 1HB GLU 25 9.516 -4.950 6.100 196 HB3 GLU 25 2HB GLU 25 9.937 -3.373 5.449 197 HG2 GLU 25 1HG GLU 25 11.836 -3.273 7.076 198 HG3 GLU 25 2HG GLU 25 11.447 -4.920 7.563 199 H ILE 26 H ILE 26 10.480 -2.701 9.493 200 HA ILE 26 HA ILE 26 11.062 0.042 8.457 201 HB ILE 26 HB ILE 26 10.790 -0.816 11.371 202 HG12 ILE 26 1HG1 ILE 26 8.934 1.130 10.960 203 HG13 ILE 26 2HG1 ILE 26 8.885 0.304 9.410 204 HG21 ILE 26 1HG2 ILE 26 11.040 1.588 11.843 205 HG22 ILE 26 2HG2 ILE 26 12.483 0.944 11.026 206 HG23 ILE 26 3HG2 ILE 26 11.299 1.906 10.111 207 HD11 ILE 26 1HD1 ILE 26 7.242 -0.617 10.947 208 HD12 ILE 26 2HD1 ILE 26 8.479 -1.835 10.549 209 HD13 ILE 26 3HD1 ILE 26 8.525 -0.997 12.119 210 H GLN 27 H GLN 27 13.112 0.487 8.082 211 HA GLN 27 HA GLN 27 15.182 -1.245 9.345 212 HB2 GLN 27 1HB GLN 27 15.217 -1.080 6.863 213 HB3 GLN 27 2HB GLN 27 15.405 0.664 6.982 214 HG2 GLN 27 1HG GLN 27 17.567 0.410 8.047 215 HG3 GLN 27 2HG GLN 27 17.370 -1.365 8.064 216 HE21 GLN 27 1HE2 GLN 27 19.296 -1.366 5.142 217 HE22 GLN 27 2HE2 GLN 27 19.216 -1.743 6.831 218 H ALA 28 H ALA 28 16.697 -0.480 10.685 219 HA ALA 28 HA ALA 28 16.319 2.333 11.564 220 HB1 ALA 28 1HB ALA 28 17.492 1.621 13.623 221 HB2 ALA 28 2HB ALA 28 16.064 0.613 13.296 222 HB3 ALA 28 3HB ALA 28 17.692 -0.007 12.937 223 H LYS 29 H LYS 29 17.847 3.846 11.413 224 HA LYS 29 HA LYS 29 20.510 3.025 10.374 225 HB2 LYS 29 1HB LYS 29 19.233 5.777 10.633 226 HB3 LYS 29 2HB LYS 29 20.843 5.474 9.998 227 HG2 LYS 29 1HG LYS 29 18.280 4.391 8.790 228 HG3 LYS 29 2HG LYS 29 19.142 5.833 8.237 229 HD2 LYS 29 1HD LYS 29 21.160 4.426 7.809 230 HD3 LYS 29 2HD LYS 29 20.234 2.995 8.285 231 HE2 LYS 29 1HE LYS 29 18.643 3.381 6.456 232 HE3 LYS 29 2HE LYS 29 19.490 4.863 6.004 233 HZ1 LYS 29 1HZ LYS 29 20.130 3.026 4.624 234 HZ2 LYS 29 2HZ LYS 29 21.427 3.536 5.508 235 HZ3 LYS 29 3HZ LYS 29 20.637 2.152 5.929 236 H GLY 30 H GLY 30 19.290 2.921 13.243 237 HA2 GLY 30 1HA GLY 30 21.820 3.371 14.569 238 HA3 GLY 30 2HA GLY 30 20.681 4.645 14.967 239 HA PRO 31 HA PRO 31 20.224 0.823 17.731 240 HB2 PRO 31 1HB PRO 31 20.417 3.119 19.717 241 HB3 PRO 31 2HB PRO 31 21.022 1.464 19.870 242 HG2 PRO 31 1HG PRO 31 22.764 3.383 19.283 243 HG3 PRO 31 2HG PRO 31 22.863 1.852 18.407 244 HD2 PRO 31 1HD PRO 31 21.619 4.488 17.522 245 HD3 PRO 31 2HD PRO 31 22.672 3.353 16.584 246 H ALA 32 H ALA 32 18.154 0.223 18.077 247 HA ALA 32 HA ALA 32 16.079 2.232 18.636 248 HB1 ALA 32 1HB ALA 32 14.770 1.651 16.620 249 HB2 ALA 32 2HB ALA 32 16.330 2.399 16.200 250 HB3 ALA 32 3HB ALA 32 16.117 0.641 16.046 251 H GLU 33 H GLU 33 14.067 1.356 19.249 252 HA GLU 33 HA GLU 33 13.916 -1.624 19.243 253 HB2 GLU 33 1HB GLU 33 14.378 -0.877 21.549 254 HB3 GLU 33 2HB GLU 33 13.014 0.230 21.485 255 HG2 GLU 33 1HG GLU 33 11.472 -1.666 21.253 256 HG3 GLU 33 2HG GLU 33 12.834 -2.785 21.289 257 H PHE 34 H PHE 34 12.160 -2.436 18.337 258 HA PHE 34 HA PHE 34 9.966 -0.526 17.672 259 HB2 PHE 34 1HB PHE 34 10.739 -3.156 16.346 260 HB3 PHE 34 2HB PHE 34 9.396 -2.133 15.861 261 HD1 PHE 34 HD1 PHE 34 11.438 0.338 16.713 262 HD2 PHE 34 HD2 PHE 34 11.366 -2.873 13.897 263 HE1 PHE 34 HE1 PHE 34 12.944 1.613 15.224 264 HE2 PHE 34 HE2 PHE 34 12.874 -1.602 12.405 265 HZ PHE 34 HZ PHE 34 13.661 0.643 13.069 266 H GLU 35 H GLU 35 8.010 -0.786 18.495 267 HA GLU 35 HA GLU 35 7.399 -3.393 19.822 268 HB2 GLU 35 1HB GLU 35 8.020 -1.667 21.506 269 HB3 GLU 35 2HB GLU 35 6.762 -0.608 20.884 270 HG2 GLU 35 1HG GLU 35 5.035 -2.141 21.588 271 HG3 GLU 35 2HG GLU 35 6.232 -3.347 22.050 272 H GLY 36 H GLY 36 5.517 -4.282 19.330 273 HA2 GLY 36 1HA GLY 36 3.034 -3.221 18.916 274 HA3 GLY 36 2HA GLY 36 3.805 -2.906 17.371 275 H GLY 37 H GLY 37 1.583 -4.547 17.546 276 HA2 GLY 37 1HA GLY 37 0.922 -6.520 16.489 277 HA3 GLY 37 2HA GLY 37 2.608 -6.923 16.226 278 H GLY 38 H GLY 38 1.999 -6.108 19.469 279 HA2 GLY 38 1HA GLY 38 1.513 -7.440 21.366 280 HA3 GLY 38 2HA GLY 38 1.305 -8.841 20.332 281 H THR 39 H THR 39 4.095 -7.258 19.379 282 HA THR 39 HA THR 39 5.821 -8.721 21.311 283 HB THR 39 HB THR 39 5.480 -10.150 19.256 284 HG1 THR 39 HG1 THR 39 7.443 -10.784 19.695 285 HG21 THR 39 1HG2 THR 39 6.597 -9.442 17.177 286 HG22 THR 39 2HG2 THR 39 5.286 -8.318 17.609 287 HG23 THR 39 3HG2 THR 39 6.979 -7.869 17.913 288 H ARG 40 H ARG 40 8.261 -8.248 20.259 289 HA ARG 40 HA ARG 40 8.583 -5.508 19.381 290 HB2 ARG 40 1HB ARG 40 9.708 -4.656 21.395 291 HB3 ARG 40 2HB ARG 40 8.020 -5.029 21.710 292 HG2 ARG 40 1HG ARG 40 8.726 -7.182 22.745 293 HG3 ARG 40 2HG ARG 40 10.421 -6.685 22.518 294 HD2 ARG 40 1HD ARG 40 9.674 -6.207 24.756 295 HD3 ARG 40 2HD ARG 40 10.004 -4.701 23.870 296 HE ARG 40 HE ARG 40 7.778 -4.140 23.999 297 HH11 ARG 40 1HH1 ARG 40 8.194 -7.498 24.945 298 HH12 ARG 40 2HH1 ARG 40 6.559 -7.663 25.542 299 HH21 ARG 40 1HH2 ARG 40 5.657 -4.366 24.778 300 HH22 ARG 40 2HH2 ARG 40 5.122 -5.892 25.449 301 H THR 41 H THR 41 10.757 -4.949 18.949 302 HA THR 41 HA THR 41 12.780 -7.067 19.414 303 HB THR 41 HB THR 41 12.132 -5.920 16.665 304 HG1 THR 41 HG1 THR 41 11.479 -8.240 18.008 305 HG21 THR 41 1HG2 THR 41 13.965 -7.364 15.876 306 HG22 THR 41 2HG2 THR 41 14.565 -6.150 17.030 307 HG23 THR 41 3HG2 THR 41 14.325 -7.833 17.553 308 H ARG 42 H ARG 42 14.731 -6.300 19.919 309 HA ARG 42 HA ARG 42 15.259 -3.411 19.547 310 HB2 ARG 42 1HB ARG 42 15.834 -4.485 21.707 311 HB3 ARG 42 2HB ARG 42 16.934 -5.573 20.874 312 HG2 ARG 42 1HG ARG 42 18.396 -3.759 20.277 313 HG3 ARG 42 2HG ARG 42 17.230 -2.559 20.885 314 HD2 ARG 42 1HD ARG 42 17.469 -3.480 23.127 315 HD3 ARG 42 2HD ARG 42 18.658 -4.650 22.510 316 HE ARG 42 HE ARG 42 19.500 -2.064 21.775 317 HH11 ARG 42 1HH1 ARG 42 19.058 -4.013 24.664 318 HH12 ARG 42 2HH1 ARG 42 20.320 -3.198 25.559 319 HH21 ARG 42 1HH2 ARG 42 21.136 -1.013 22.947 320 HH22 ARG 42 2HH2 ARG 42 21.498 -1.500 24.589 321 H LEU 43 H LEU 43 16.732 -2.566 18.165 322 HA LEU 43 HA LEU 43 17.848 -4.514 16.191 323 HB2 LEU 43 1HB LEU 43 16.580 -1.794 15.727 324 HB3 LEU 43 2HB LEU 43 17.463 -2.693 14.489 325 HG LEU 43 HG LEU 43 15.677 -4.586 15.129 326 HD11 LEU 43 1HD1 LEU 43 13.497 -3.559 15.601 327 HD12 LEU 43 2HD1 LEU 43 14.655 -3.281 16.922 328 HD13 LEU 43 3HD1 LEU 43 14.283 -1.972 15.775 329 HD21 LEU 43 1HD2 LEU 43 14.327 -3.740 13.238 330 HD22 LEU 43 2HD2 LEU 43 15.123 -2.155 13.378 331 HD23 LEU 43 3HD2 LEU 43 16.068 -3.585 12.902 332 H ASN 44 H ASN 44 19.910 -4.232 15.484 333 HA ASN 44 HA ASN 44 21.432 -1.913 16.509 334 HB2 ASN 44 1HB ASN 44 22.295 -4.276 14.808 335 HB3 ASN 44 2HB ASN 44 23.366 -3.023 15.422 336 HD21 ASN 44 1HD2 ASN 44 22.806 -6.203 17.620 337 HD22 ASN 44 2HD2 ASN 44 22.646 -6.071 15.900 338 HA PRO 45 HA PRO 45 21.368 0.696 13.043 339 HB2 PRO 45 1HB PRO 45 24.386 0.300 12.909 340 HB3 PRO 45 2HB PRO 45 23.460 1.807 12.850 341 HG2 PRO 45 1HG PRO 45 24.641 1.167 15.138 342 HG3 PRO 45 2HG PRO 45 22.981 1.768 15.187 343 HD2 PRO 45 1HD PRO 45 23.991 -1.099 15.369 344 HD3 PRO 45 2HD PRO 45 22.694 -0.283 16.333 345 H GLY 46 H GLY 46 20.852 0.228 10.985 346 HA2 GLY 46 1HA GLY 46 21.403 -0.503 8.765 347 HA3 GLY 46 2HA GLY 46 22.556 -1.646 9.428 348 H GLU 47 H GLU 47 20.491 -2.428 11.533 349 HA GLU 47 HA GLU 47 19.449 -4.656 9.967 350 HB2 GLU 47 1HB GLU 47 19.141 -3.932 12.908 351 HB3 GLU 47 2HB GLU 47 18.561 -5.424 12.184 352 HG2 GLU 47 1HG GLU 47 20.864 -6.037 11.582 353 HG3 GLU 47 2HG GLU 47 21.451 -4.534 12.290 354 H SER 48 H SER 48 17.207 -5.380 10.102 355 HA SER 48 HA SER 48 15.253 -3.173 10.494 356 HB2 SER 48 1HB SER 48 14.147 -3.654 8.402 357 HB3 SER 48 2HB SER 48 15.835 -3.291 8.078 358 HG SER 48 HG SER 48 14.620 -5.295 7.234 359 H TYR 49 H TYR 49 13.040 -3.895 10.710 360 HA TYR 49 HA TYR 49 12.585 -6.787 10.976 361 HB2 TYR 49 1HB TYR 49 13.449 -6.088 13.223 362 HB3 TYR 49 2HB TYR 49 12.134 -4.928 13.345 363 HD1 TYR 49 HD1 TYR 49 12.716 -8.579 12.740 364 HD2 TYR 49 HD2 TYR 49 10.175 -5.545 14.398 365 HE1 TYR 49 HE1 TYR 49 11.263 -10.326 13.712 366 HE2 TYR 49 HE2 TYR 49 8.723 -7.292 15.371 367 HH TYR 49 HH TYR 49 9.349 -10.737 14.791 368 H LYS 50 H LYS 50 10.429 -7.395 10.890 369 HA LYS 50 HA LYS 50 8.639 -5.175 9.990 370 HB2 LYS 50 1HB LYS 50 7.794 -6.635 8.224 371 HB3 LYS 50 2HB LYS 50 9.535 -6.445 8.061 372 HG2 LYS 50 1HG LYS 50 9.840 -8.660 9.179 373 HG3 LYS 50 2HG LYS 50 8.081 -8.850 9.196 374 HD2 LYS 50 1HD LYS 50 8.076 -8.585 6.703 375 HD3 LYS 50 2HD LYS 50 9.845 -8.536 6.740 376 HE2 LYS 50 1HE LYS 50 9.855 -10.790 7.809 377 HE3 LYS 50 2HE LYS 50 8.095 -10.839 7.679 378 HZ1 LYS 50 1HZ LYS 50 9.145 -11.987 5.871 379 HZ2 LYS 50 2HZ LYS 50 8.324 -10.676 5.296 380 HZ3 LYS 50 3HZ LYS 50 9.968 -10.632 5.417 381 H PHE 51 H PHE 51 6.400 -5.472 10.232 382 HA PHE 51 HA PHE 51 5.691 -7.572 12.240 383 HB2 PHE 51 1HB PHE 51 4.670 -4.710 12.045 384 HB3 PHE 51 2HB PHE 51 4.014 -5.929 13.126 385 HD1 PHE 51 HD1 PHE 51 7.052 -3.962 12.332 386 HD2 PHE 51 HD2 PHE 51 5.049 -6.430 15.188 387 HE1 PHE 51 HE1 PHE 51 8.735 -3.353 14.038 388 HE2 PHE 51 HE2 PHE 51 6.729 -5.821 16.897 389 HZ PHE 51 HZ PHE 51 8.574 -4.283 16.320 390 H GLU 52 H GLU 52 3.755 -8.625 12.029 391 HA GLU 52 HA GLU 52 2.132 -7.906 9.622 392 HB2 GLU 52 1HB GLU 52 3.163 -10.165 9.511 393 HB3 GLU 52 2HB GLU 52 2.380 -10.599 11.024 394 HG2 GLU 52 1HG GLU 52 0.197 -10.444 10.019 395 HG3 GLU 52 2HG GLU 52 0.875 -9.788 8.531 396 H ASN 53 H ASN 53 0.071 -7.356 9.863 397 HA ASN 53 HA ASN 53 -0.963 -7.119 12.608 398 HB2 ASN 53 1HB ASN 53 -1.176 -5.270 10.936 399 HB3 ASN 53 2HB ASN 53 -2.232 -6.296 9.975 400 HD21 ASN 53 1HD2 ASN 53 -4.249 -4.048 12.154 401 HD22 ASN 53 2HD2 ASN 53 -2.990 -3.810 10.989 402 H LEU 54 H LEU 54 -1.731 -8.899 13.495 403 HA LEU 54 HA LEU 54 -3.145 -10.843 11.754 404 HB2 LEU 54 1HB LEU 54 -2.087 -11.099 14.592 405 HB3 LEU 54 2HB LEU 54 -2.862 -12.393 13.674 406 HG LEU 54 HG LEU 54 -0.236 -11.046 12.945 407 HD11 LEU 54 1HD1 LEU 54 0.757 -13.189 13.615 408 HD12 LEU 54 2HD1 LEU 54 -0.077 -12.397 14.973 409 HD13 LEU 54 3HD1 LEU 54 -0.843 -13.769 14.134 410 HD21 LEU 54 1HD2 LEU 54 -0.092 -12.863 11.275 411 HD22 LEU 54 2HD2 LEU 54 -1.704 -13.439 11.762 412 HD23 LEU 54 3HD2 LEU 54 -1.524 -11.845 10.991 413 H THR 55 H THR 55 -4.144 -8.215 13.133 414 HA THR 55 HA THR 55 -6.475 -9.456 14.528 415 HB THR 55 HB THR 55 -6.729 -7.470 15.809 416 HG1 THR 55 HG1 THR 55 -4.972 -6.301 13.892 417 HG21 THR 55 1HG2 THR 55 -4.516 -7.113 16.832 418 HG22 THR 55 2HG2 THR 55 -4.800 -8.842 16.518 419 HG23 THR 55 3HG2 THR 55 -3.740 -7.905 15.441 420 H SER 56 H SER 56 -8.415 -7.776 14.454 421 HA SER 56 HA SER 56 -9.063 -7.536 11.587 422 HB2 SER 56 1HB SER 56 -11.327 -7.168 12.322 423 HB3 SER 56 2HB SER 56 -10.668 -8.525 13.221 424 HG SER 56 HG SER 56 -11.533 -7.325 14.727 425 H GLN 57 H GLN 57 -7.570 -5.613 13.840 426 HA GLN 57 HA GLN 57 -8.722 -3.117 12.666 427 HB2 GLN 57 1HB GLN 57 -7.663 -3.474 15.497 428 HB3 GLN 57 2HB GLN 57 -8.365 -2.011 14.822 429 HG2 GLN 57 1HG GLN 57 -9.841 -4.629 15.180 430 HG3 GLN 57 2HG GLN 57 -9.907 -3.234 16.295 431 HE21 GLN 57 1HE2 GLN 57 -12.547 -3.442 13.383 432 HE22 GLN 57 2HE2 GLN 57 -11.700 -4.764 14.115 433 HA PRO 58 HA PRO 58 -4.680 -1.889 11.445 434 HB2 PRO 58 1HB PRO 58 -5.572 0.802 12.531 435 HB3 PRO 58 2HB PRO 58 -4.839 0.421 10.966 436 HG2 PRO 58 1HG PRO 58 -7.456 0.873 11.044 437 HG3 PRO 58 2HG PRO 58 -6.860 -0.483 10.082 438 HD2 PRO 58 1HD PRO 58 -8.070 -0.504 12.881 439 HD3 PRO 58 2HD PRO 58 -8.411 -1.606 11.487 440 H LEU 59 H LEU 59 -2.723 -1.743 12.467 441 HA LEU 59 HA LEU 59 -2.768 -1.168 15.400 442 HB2 LEU 59 1HB LEU 59 -0.908 -3.018 13.867 443 HB3 LEU 59 2HB LEU 59 -0.850 -2.699 15.602 444 HG LEU 59 HG LEU 59 -3.157 -4.049 14.156 445 HD11 LEU 59 1HD1 LEU 59 -2.327 -6.091 15.238 446 HD12 LEU 59 2HD1 LEU 59 -1.124 -5.404 14.121 447 HD13 LEU 59 3HD1 LEU 59 -0.935 -5.187 15.877 448 HD21 LEU 59 1HD2 LEU 59 -3.908 -4.567 16.453 449 HD22 LEU 59 2HD2 LEU 59 -2.537 -3.640 17.111 450 HD23 LEU 59 3HD2 LEU 59 -3.815 -2.809 16.190 451 H ARG 60 H ARG 60 -0.787 -0.285 16.302 452 HA ARG 60 HA ARG 60 0.765 1.293 14.290 453 HB2 ARG 60 1HB ARG 60 -0.053 2.111 17.099 454 HB3 ARG 60 2HB ARG 60 1.021 3.029 16.057 455 HG2 ARG 60 1HG ARG 60 -0.810 3.314 14.425 456 HG3 ARG 60 2HG ARG 60 -1.895 2.420 15.518 457 HD2 ARG 60 1HD ARG 60 -1.437 4.104 17.259 458 HD3 ARG 60 2HD ARG 60 -0.490 5.022 16.066 459 HE ARG 60 HE ARG 60 -3.031 4.499 14.966 460 HH11 ARG 60 1HH1 ARG 60 -1.572 6.353 17.569 461 HH12 ARG 60 2HH1 ARG 60 -2.805 7.592 17.546 462 HH21 ARG 60 1HH2 ARG 60 -4.627 6.114 14.945 463 HH22 ARG 60 2HH2 ARG 60 -4.535 7.459 16.062 464 H ILE 61 H ILE 61 2.892 1.041 14.298 465 HA ILE 61 HA ILE 61 4.101 -0.443 16.581 466 HB ILE 61 HB ILE 61 5.060 -0.047 13.717 467 HG12 ILE 61 1HG1 ILE 61 4.943 -2.704 14.081 468 HG13 ILE 61 2HG1 ILE 61 3.668 -2.222 15.191 469 HG21 ILE 61 1HG2 ILE 61 6.929 -1.524 14.339 470 HG22 ILE 61 2HG2 ILE 61 6.960 -0.020 15.288 471 HG23 ILE 61 3HG2 ILE 61 6.370 -1.528 16.028 472 HD11 ILE 61 1HD1 ILE 61 2.770 -2.718 12.986 473 HD12 ILE 61 2HD1 ILE 61 2.539 -0.999 13.383 474 HD13 ILE 61 3HD1 ILE 61 3.829 -1.488 12.259 475 H ARG 62 H ARG 62 5.398 0.541 17.953 476 HA ARG 62 HA ARG 62 6.074 3.359 17.496 477 HB2 ARG 62 1HB ARG 62 6.694 1.527 19.839 478 HB3 ARG 62 2HB ARG 62 6.972 3.262 19.799 479 HG2 ARG 62 1HG ARG 62 4.241 1.989 19.507 480 HG3 ARG 62 2HG ARG 62 4.931 2.571 21.041 481 HD2 ARG 62 1HD ARG 62 5.100 4.803 20.139 482 HD3 ARG 62 2HD ARG 62 4.465 4.234 18.577 483 HE ARG 62 HE ARG 62 2.336 4.121 19.479 484 HH11 ARG 62 1HH1 ARG 62 4.690 4.806 21.996 485 HH12 ARG 62 2HH1 ARG 62 3.480 5.243 23.183 486 HH21 ARG 62 1HH2 ARG 62 0.776 4.689 21.029 487 HH22 ARG 62 2HH2 ARG 62 1.265 5.176 22.636 488 H LEU 63 H LEU 63 7.940 4.127 16.781 489 HA LEU 63 HA LEU 63 10.269 2.272 16.665 490 HB2 LEU 63 1HB LEU 63 9.981 4.957 15.283 491 HB3 LEU 63 2HB LEU 63 11.169 3.691 14.953 492 HG LEU 63 HG LEU 63 8.196 3.603 14.337 493 HD11 LEU 63 1HD1 LEU 63 8.988 3.523 12.015 494 HD12 LEU 63 2HD1 LEU 63 9.523 5.005 12.841 495 HD13 LEU 63 3HD1 LEU 63 10.668 3.668 12.582 496 HD21 LEU 63 1HD2 LEU 63 8.699 1.403 13.327 497 HD22 LEU 63 2HD2 LEU 63 10.375 1.517 13.913 498 HD23 LEU 63 3HD2 LEU 63 9.033 1.397 15.076 499 H ARG 64 H ARG 64 11.321 2.398 18.561 500 HA ARG 64 HA ARG 64 11.448 5.018 19.932 501 HB2 ARG 64 1HB ARG 64 10.730 3.004 21.193 502 HB3 ARG 64 2HB ARG 64 12.285 2.253 20.875 503 HG2 ARG 64 1HG ARG 64 13.422 3.974 22.178 504 HG3 ARG 64 2HG ARG 64 11.871 4.803 22.457 505 HD2 ARG 64 1HD ARG 64 12.504 1.982 23.295 506 HD3 ARG 64 2HD ARG 64 12.595 3.415 24.344 507 HE ARG 64 HE ARG 64 10.066 3.572 23.424 508 HH11 ARG 64 1HH1 ARG 64 11.897 0.902 24.785 509 HH12 ARG 64 2HH1 ARG 64 10.491 0.126 25.479 510 HH21 ARG 64 1HH2 ARG 64 8.247 2.556 24.329 511 HH22 ARG 64 2HH2 ARG 64 8.425 1.062 25.220 512 H ASN 65 H ASN 65 13.180 6.266 19.958 513 HA ASN 65 HA ASN 65 15.707 5.262 18.822 514 HB2 ASN 65 1HB ASN 65 14.860 7.510 18.221 515 HB3 ASN 65 2HB ASN 65 14.971 8.003 19.905 516 HD21 ASN 65 1HD2 ASN 65 17.990 9.191 18.159 517 HD22 ASN 65 2HD2 ASN 65 16.281 9.433 18.023 518 H LEU 66 H LEU 66 17.117 4.217 19.989 519 HA LEU 66 HA LEU 66 16.923 4.394 22.926 520 HB2 LEU 66 1HB LEU 66 18.574 2.583 21.127 521 HB3 LEU 66 2HB LEU 66 18.471 2.454 22.886 522 HG LEU 66 HG LEU 66 16.169 2.046 20.944 523 HD11 LEU 66 1HD1 LEU 66 16.370 -0.309 21.605 524 HD12 LEU 66 2HD1 LEU 66 17.853 0.282 20.820 525 HD13 LEU 66 3HD1 LEU 66 17.799 0.088 22.587 526 HD21 LEU 66 1HD2 LEU 66 14.966 1.271 22.959 527 HD22 LEU 66 2HD2 LEU 66 16.375 1.691 23.962 528 HD23 LEU 66 3HD2 LEU 66 15.465 2.971 23.125 529 H SER 67 H SER 67 18.646 5.951 20.516 530 HA SER 67 HA SER 67 21.259 5.813 21.893 531 HB2 SER 67 1HB SER 67 22.209 6.570 19.898 532 HB3 SER 67 2HB SER 67 20.878 5.564 19.349 533 HG SER 67 HG SER 67 19.633 7.439 19.166 534 H ASP 68 H ASP 68 22.526 8.033 21.581 535 HA ASP 68 HA ASP 68 20.977 9.975 23.186 536 HB2 ASP 68 1HB ASP 68 23.934 9.811 22.477 537 HB3 ASP 68 2HB ASP 68 23.223 11.100 23.439 538 H THR 69 H THR 69 21.385 9.399 19.989 539 HA THR 69 HA THR 69 21.085 12.292 19.343 540 HB THR 69 HB THR 69 22.437 12.008 17.305 541 HG1 THR 69 HG1 THR 69 21.995 9.648 17.227 542 HG21 THR 69 1HG2 THR 69 24.648 11.750 18.362 543 HG22 THR 69 2HG2 THR 69 23.569 12.737 19.377 544 HG23 THR 69 3HG2 THR 69 23.884 11.036 19.799 545 HA PRO 70 HA PRO 70 17.589 11.210 16.950 546 HB2 PRO 70 1HB PRO 70 18.852 12.932 14.789 547 HB3 PRO 70 2HB PRO 70 17.209 12.992 15.441 548 HG2 PRO 70 1HG PRO 70 18.941 14.839 16.246 549 HG3 PRO 70 2HG PRO 70 17.894 14.080 17.448 550 HD2 PRO 70 1HD PRO 70 20.805 13.467 16.783 551 HD3 PRO 70 2HD PRO 70 20.024 13.648 18.405 552 H ILE 71 H ILE 71 17.101 9.586 15.538 553 HA ILE 71 HA ILE 71 19.201 8.752 13.590 554 HB ILE 71 HB ILE 71 18.645 6.385 14.027 555 HG12 ILE 71 1HG1 ILE 71 16.849 7.445 16.220 556 HG13 ILE 71 2HG1 ILE 71 16.306 6.734 14.709 557 HG21 ILE 71 1HG2 ILE 71 19.646 6.192 16.267 558 HG22 ILE 71 2HG2 ILE 71 20.486 7.423 15.296 559 HG23 ILE 71 3HG2 ILE 71 19.335 7.920 16.559 560 HD11 ILE 71 1HD1 ILE 71 16.184 5.126 16.528 561 HD12 ILE 71 2HD1 ILE 71 17.375 4.605 15.310 562 HD13 ILE 71 3HD1 ILE 71 17.923 5.325 16.844 563 H GLU 72 H GLU 72 18.420 7.551 11.757 564 HA GLU 72 HA GLU 72 15.739 8.563 10.968 565 HB2 GLU 72 1HB GLU 72 18.041 7.479 9.295 566 HB3 GLU 72 2HB GLU 72 16.508 8.040 8.645 567 HG2 GLU 72 1HG GLU 72 16.949 10.294 9.509 568 HG3 GLU 72 2HG GLU 72 18.473 9.738 10.198 569 H PHE 73 H PHE 73 14.126 7.274 10.171 570 HA PHE 73 HA PHE 73 14.709 4.344 10.063 571 HB2 PHE 73 1HB PHE 73 12.149 5.740 10.938 572 HB3 PHE 73 2HB PHE 73 12.265 4.018 10.616 573 HD1 PHE 73 HD1 PHE 73 12.441 6.485 13.095 574 HD2 PHE 73 HD2 PHE 73 14.211 2.778 11.924 575 HE1 PHE 73 HE1 PHE 73 13.179 6.103 15.424 576 HE2 PHE 73 HE2 PHE 73 14.948 2.391 14.251 577 HZ PHE 73 HZ PHE 73 14.432 4.056 16.002 578 H ARG 74 H ARG 74 13.980 3.206 8.324 579 HA ARG 74 HA ARG 74 12.442 4.753 6.278 580 HB2 ARG 74 1HB ARG 74 14.737 4.123 5.553 581 HB3 ARG 74 2HB ARG 74 14.350 2.432 5.828 582 HG2 ARG 74 1HG ARG 74 12.638 2.512 4.084 583 HG3 ARG 74 2HG ARG 74 12.978 4.239 3.823 584 HD2 ARG 74 1HD ARG 74 15.288 3.663 3.243 585 HD3 ARG 74 2HD ARG 74 14.879 1.942 3.426 586 HE ARG 74 HE ARG 74 13.041 3.126 1.637 587 HH11 ARG 74 1HH1 ARG 74 16.442 2.272 1.830 588 HH12 ARG 74 2HH1 ARG 74 16.609 2.032 0.104 589 HH21 ARG 74 1HH2 ARG 74 13.269 2.812 -0.600 590 HH22 ARG 74 2HH2 ARG 74 14.813 2.339 -1.272 591 H ILE 75 H ILE 75 10.434 4.108 5.977 592 HA ILE 75 HA ILE 75 9.704 1.382 6.956 593 HB ILE 75 HB ILE 75 8.031 3.923 6.769 594 HG12 ILE 75 1HG1 ILE 75 7.904 3.187 9.340 595 HG13 ILE 75 2HG1 ILE 75 9.488 2.529 8.960 596 HG21 ILE 75 1HG2 ILE 75 6.251 2.586 7.820 597 HG22 ILE 75 2HG2 ILE 75 6.692 1.925 6.228 598 HG23 ILE 75 3HG2 ILE 75 7.272 1.133 7.713 599 HD11 ILE 75 1HD1 ILE 75 9.666 4.782 9.855 600 HD12 ILE 75 2HD1 ILE 75 10.228 4.733 8.167 601 HD13 ILE 75 3HD1 ILE 75 8.624 5.400 8.553 602 H ARG 76 H ARG 76 9.001 -0.070 5.568 603 HA ARG 76 HA ARG 76 7.930 0.893 2.952 604 HB2 ARG 76 1HB ARG 76 9.805 -1.460 3.375 605 HB3 ARG 76 2HB ARG 76 9.075 -0.993 1.847 606 HG2 ARG 76 1HG ARG 76 10.280 1.213 2.041 607 HG3 ARG 76 2HG ARG 76 11.145 0.528 3.439 608 HD2 ARG 76 1HD ARG 76 11.125 -0.533 0.624 609 HD3 ARG 76 2HD ARG 76 12.464 0.289 1.456 610 HE ARG 76 HE ARG 76 11.757 -1.908 3.031 611 HH11 ARG 76 1HH1 ARG 76 13.012 -1.305 -0.193 612 HH12 ARG 76 2HH1 ARG 76 13.896 -2.812 -0.268 613 HH21 ARG 76 1HH2 ARG 76 12.909 -3.862 2.924 614 HH22 ARG 76 2HH2 ARG 76 13.839 -4.260 1.496 615 H GLU 77 H GLU 77 6.364 -0.390 1.965 616 HA GLU 77 HA GLU 77 4.896 -2.174 3.782 617 HB2 GLU 77 1HB GLU 77 3.706 -0.546 2.313 618 HB3 GLU 77 2HB GLU 77 4.324 -1.383 0.896 619 HG2 GLU 77 1HG GLU 77 3.043 -3.333 1.366 620 HG3 GLU 77 2HG GLU 77 2.632 -2.762 2.981 621 H GLU 78 H GLU 78 4.662 -4.341 3.626 622 HA GLU 78 HA GLU 78 6.024 -5.677 1.324 623 HB2 GLU 78 1HB GLU 78 7.255 -6.118 3.398 624 HB3 GLU 78 2HB GLU 78 5.780 -6.635 4.203 625 HG2 GLU 78 1HG GLU 78 5.598 -8.554 2.707 626 HG3 GLU 78 2HG GLU 78 7.020 -8.020 1.815 Start of MODEL 6 1 H1 THR 1 1H THR 1 1.515 -2.368 -1.496 2 H2 THR 1 2H THR 1 1.444 -1.273 -0.287 3 H3 THR 1 3H THR 1 0.939 -0.868 -1.786 4 HA THR 1 HA THR 1 3.667 -1.519 -1.002 5 HB THR 1 HB THR 1 2.542 -0.642 -3.699 6 HG1 THR 1 HG1 THR 1 2.870 -3.052 -2.604 7 HG21 THR 1 1HG2 THR 1 4.869 -0.862 -4.478 8 HG22 THR 1 2HG2 THR 1 4.738 0.378 -3.207 9 HG23 THR 1 3HG2 THR 1 5.394 -1.230 -2.820 10 H ARG 2 H ARG 2 4.127 0.030 0.433 11 HA ARG 2 HA ARG 2 4.013 2.818 -0.556 12 HB2 ARG 2 1HB ARG 2 1.936 2.507 0.751 13 HB3 ARG 2 2HB ARG 2 2.879 1.967 2.132 14 HG2 ARG 2 1HG ARG 2 3.898 4.155 2.360 15 HG3 ARG 2 2HG ARG 2 3.083 4.717 0.881 16 HD2 ARG 2 1HD ARG 2 1.878 5.517 2.758 17 HD3 ARG 2 2HD ARG 2 0.916 4.237 1.984 18 HE ARG 2 HE ARG 2 1.338 2.816 3.806 19 HH11 ARG 2 1HH1 ARG 2 2.868 5.955 4.194 20 HH12 ARG 2 2HH1 ARG 2 3.135 5.751 5.911 21 HH21 ARG 2 1HH2 ARG 2 1.690 2.563 6.035 22 HH22 ARG 2 2HH2 ARG 2 2.469 3.832 6.954 23 H GLU 3 H GLU 3 5.731 4.011 0.020 24 HA GLU 3 HA GLU 3 7.420 2.992 2.264 25 HB2 GLU 3 1HB GLU 3 8.363 4.154 -0.387 26 HB3 GLU 3 2HB GLU 3 9.410 3.846 0.990 27 HG2 GLU 3 1HG GLU 3 8.749 1.428 0.863 28 HG3 GLU 3 2HG GLU 3 7.874 1.801 -0.621 29 H THR 4 H THR 4 8.243 4.466 3.664 30 HA THR 4 HA THR 4 8.095 7.332 2.983 31 HB THR 4 HB THR 4 5.882 6.775 4.066 32 HG1 THR 4 HG1 THR 4 6.056 8.763 4.743 33 HG21 THR 4 1HG2 THR 4 5.879 6.316 6.487 34 HG22 THR 4 2HG2 THR 4 6.696 5.011 5.593 35 HG23 THR 4 3HG2 THR 4 7.655 6.221 6.476 36 H LYS 5 H LYS 5 8.734 8.514 5.278 37 HA LYS 5 HA LYS 5 11.110 7.087 6.338 38 HB2 LYS 5 1HB LYS 5 11.900 8.376 4.374 39 HB3 LYS 5 2HB LYS 5 11.211 9.845 5.052 40 HG2 LYS 5 1HG LYS 5 12.758 9.704 6.963 41 HG3 LYS 5 2HG LYS 5 13.443 8.214 6.299 42 HD2 LYS 5 1HD LYS 5 14.194 9.409 4.298 43 HD3 LYS 5 2HD LYS 5 13.422 10.897 4.867 44 HE2 LYS 5 1HE LYS 5 14.912 10.887 6.858 45 HE3 LYS 5 2HE LYS 5 15.704 9.433 6.244 46 HZ1 LYS 5 1HZ LYS 5 16.924 11.405 5.686 47 HZ2 LYS 5 2HZ LYS 5 16.372 10.684 4.309 48 HZ3 LYS 5 3HZ LYS 5 15.633 12.043 4.882 49 H VAL 6 H VAL 6 11.602 7.529 8.399 50 HA VAL 6 HA VAL 6 10.049 9.711 9.716 51 HB VAL 6 HB VAL 6 10.374 6.826 10.637 52 HG11 VAL 6 1HG1 VAL 6 9.208 7.486 12.684 53 HG12 VAL 6 2HG1 VAL 6 10.781 8.302 12.521 54 HG13 VAL 6 3HG1 VAL 6 9.277 9.189 12.174 55 HG21 VAL 6 1HG2 VAL 6 7.900 6.886 10.661 56 HG22 VAL 6 2HG2 VAL 6 7.936 8.569 10.085 57 HG23 VAL 6 3HG2 VAL 6 8.536 7.258 9.043 58 H THR 7 H THR 7 11.136 10.919 11.163 59 HA THR 7 HA THR 7 13.767 9.865 12.115 60 HB THR 7 HB THR 7 12.895 12.769 11.803 61 HG1 THR 7 HG1 THR 7 15.115 12.007 10.454 62 HG21 THR 7 1HG2 THR 7 15.222 13.284 12.428 63 HG22 THR 7 2HG2 THR 7 14.389 12.415 13.739 64 HG23 THR 7 3HG2 THR 7 15.539 11.554 12.691 65 H VAL 8 H VAL 8 14.082 9.589 14.215 66 HA VAL 8 HA VAL 8 11.965 10.634 16.053 67 HB VAL 8 HB VAL 8 13.514 8.017 16.282 68 HG11 VAL 8 1HG1 VAL 8 12.003 7.539 18.145 69 HG12 VAL 8 2HG1 VAL 8 12.999 8.981 18.450 70 HG13 VAL 8 3HG1 VAL 8 11.291 9.162 17.984 71 HG21 VAL 8 1HG2 VAL 8 11.324 6.961 15.829 72 HG22 VAL 8 2HG2 VAL 8 10.598 8.569 15.593 73 HG23 VAL 8 3HG2 VAL 8 11.841 7.979 14.465 74 H ASN 9 H ASN 9 12.598 11.741 17.795 75 HA ASN 9 HA ASN 9 15.461 12.291 18.126 76 HB2 ASN 9 1HB ASN 9 13.038 13.294 19.654 77 HB3 ASN 9 2HB ASN 9 14.685 13.861 19.887 78 HD21 ASN 9 1HD2 ASN 9 12.453 15.697 17.255 79 HD22 ASN 9 2HD2 ASN 9 11.920 14.789 18.630 80 HA PRO 10 HA PRO 10 16.608 9.527 21.238 81 HB2 PRO 10 1HB PRO 10 17.453 12.017 22.783 82 HB3 PRO 10 2HB PRO 10 18.352 10.517 22.523 83 HG2 PRO 10 1HG PRO 10 18.988 12.616 21.033 84 HG3 PRO 10 2HG PRO 10 18.842 11.041 20.247 85 HD2 PRO 10 1HD PRO 10 16.852 13.342 20.320 86 HD3 PRO 10 2HD PRO 10 17.311 12.275 18.932 87 H GLY 11 H GLY 11 15.371 8.553 22.738 88 HA2 GLY 11 1HA GLY 11 14.250 8.377 24.817 89 HA3 GLY 11 2HA GLY 11 14.139 10.125 24.909 90 H GLU 12 H GLU 12 13.179 9.987 21.952 91 HA GLU 12 HA GLU 12 10.322 9.720 22.718 92 HB2 GLU 12 1HB GLU 12 11.643 11.063 20.324 93 HB3 GLU 12 2HB GLU 12 9.909 11.011 20.613 94 HG2 GLU 12 1HG GLU 12 10.216 12.270 22.706 95 HG3 GLU 12 2HG GLU 12 11.954 12.323 22.417 96 H GLU 13 H GLU 13 8.857 9.081 20.813 97 HA GLU 13 HA GLU 13 10.082 7.041 19.058 98 HB2 GLU 13 1HB GLU 13 8.435 5.321 19.690 99 HB3 GLU 13 2HB GLU 13 9.450 5.757 21.059 100 HG2 GLU 13 1HG GLU 13 7.625 7.242 21.884 101 HG3 GLU 13 2HG GLU 13 6.610 6.672 20.561 102 H TYR 14 H TYR 14 8.862 6.519 17.232 103 HA TYR 14 HA TYR 14 6.487 8.281 16.797 104 HB2 TYR 14 1HB TYR 14 8.322 8.870 15.295 105 HB3 TYR 14 2HB TYR 14 8.510 7.193 14.802 106 HD1 TYR 14 HD1 TYR 14 6.393 10.195 14.547 107 HD2 TYR 14 HD2 TYR 14 7.018 6.164 13.218 108 HE1 TYR 14 HE1 TYR 14 4.792 10.555 12.699 109 HE2 TYR 14 HE2 TYR 14 5.417 6.524 11.370 110 HH TYR 14 HH TYR 14 3.743 9.637 10.969 111 H GLU 15 H GLU 15 4.616 7.457 16.046 112 HA GLU 15 HA GLU 15 4.425 4.496 16.137 113 HB2 GLU 15 1HB GLU 15 2.905 5.826 17.588 114 HB3 GLU 15 2HB GLU 15 2.243 6.621 16.166 115 HG2 GLU 15 1HG GLU 15 1.341 4.521 15.353 116 HG3 GLU 15 2HG GLU 15 2.103 3.642 16.676 117 H VAL 16 H VAL 16 4.384 3.362 14.346 118 HA VAL 16 HA VAL 16 3.678 4.688 11.798 119 HB VAL 16 HB VAL 16 4.723 1.884 12.386 120 HG11 VAL 16 1HG1 VAL 16 5.116 1.730 9.976 121 HG12 VAL 16 2HG1 VAL 16 3.388 1.915 10.358 122 HG13 VAL 16 3HG1 VAL 16 4.317 3.304 9.746 123 HG21 VAL 16 1HG2 VAL 16 6.832 2.764 11.439 124 HG22 VAL 16 2HG2 VAL 16 6.082 4.368 11.261 125 HG23 VAL 16 3HG2 VAL 16 6.343 3.681 12.883 126 H LYS 17 H LYS 17 1.824 4.412 10.741 127 HA LYS 17 HA LYS 17 -0.171 2.551 11.911 128 HB2 LYS 17 1HB LYS 17 -0.829 4.919 11.523 129 HB3 LYS 17 2HB LYS 17 -0.500 4.729 9.807 130 HG2 LYS 17 1HG LYS 17 -2.281 3.043 9.633 131 HG3 LYS 17 2HG LYS 17 -2.601 3.196 11.366 132 HD2 LYS 17 1HD LYS 17 -3.179 5.576 11.062 133 HD3 LYS 17 2HD LYS 17 -2.833 5.444 9.331 134 HE2 LYS 17 1HE LYS 17 -4.620 3.739 9.112 135 HE3 LYS 17 2HE LYS 17 -4.974 3.895 10.835 136 HZ1 LYS 17 1HZ LYS 17 -6.459 5.206 9.505 137 HZ2 LYS 17 2HZ LYS 17 -5.538 6.196 10.450 138 HZ3 LYS 17 3HZ LYS 17 -5.207 6.050 8.840 139 H VAL 18 H VAL 18 -0.676 0.686 11.038 140 HA VAL 18 HA VAL 18 0.073 0.239 8.178 141 HB VAL 18 HB VAL 18 0.217 -1.769 10.468 142 HG11 VAL 18 1HG1 VAL 18 1.232 -3.261 8.816 143 HG12 VAL 18 2HG1 VAL 18 -0.434 -2.816 8.377 144 HG13 VAL 18 3HG1 VAL 18 0.941 -2.050 7.544 145 HG21 VAL 18 1HG2 VAL 18 2.657 -1.666 10.073 146 HG22 VAL 18 2HG2 VAL 18 2.404 -0.403 8.844 147 HG23 VAL 18 3HG2 VAL 18 2.016 -0.077 10.551 148 H ASN 19 H ASN 19 -1.415 -0.663 6.881 149 HA ASN 19 HA ASN 19 -4.143 -0.763 7.899 150 HB2 ASN 19 1HB ASN 19 -2.944 -1.281 5.162 151 HB3 ASN 19 2HB ASN 19 -4.666 -1.393 5.501 152 HD21 ASN 19 1HD2 ASN 19 -3.359 2.055 4.357 153 HD22 ASN 19 2HD2 ASN 19 -2.803 0.475 3.916 154 HA PRO 20 HA PRO 20 -4.643 -4.938 8.932 155 HB2 PRO 20 1HB PRO 20 -7.174 -4.706 7.251 156 HB3 PRO 20 2HB PRO 20 -6.976 -5.395 8.867 157 HG2 PRO 20 1HG PRO 20 -8.005 -2.957 8.676 158 HG3 PRO 20 2HG PRO 20 -6.778 -3.259 9.908 159 HD2 PRO 20 1HD PRO 20 -6.478 -1.929 7.187 160 HD3 PRO 20 2HD PRO 20 -5.758 -1.450 8.777 161 H GLY 21 H GLY 21 -3.873 -6.776 8.022 162 HA2 GLY 21 1HA GLY 21 -3.948 -8.533 6.406 163 HA3 GLY 21 2HA GLY 21 -4.562 -7.409 5.209 164 H THR 22 H THR 22 -2.387 -5.447 6.226 165 HA THR 22 HA THR 22 -0.388 -6.401 4.261 166 HB THR 22 HB THR 22 0.422 -4.113 4.203 167 HG1 THR 22 HG1 THR 22 -0.445 -2.562 5.645 168 HG21 THR 22 1HG2 THR 22 -1.623 -2.912 3.536 169 HG22 THR 22 2HG2 THR 22 -1.640 -4.582 2.924 170 HG23 THR 22 3HG2 THR 22 -2.617 -4.146 4.344 171 H ARG 23 H ARG 23 1.927 -5.978 4.692 172 HA ARG 23 HA ARG 23 2.571 -6.226 7.602 173 HB2 ARG 23 1HB ARG 23 4.231 -7.214 5.260 174 HB3 ARG 23 2HB ARG 23 4.599 -7.423 6.964 175 HG2 ARG 23 1HG ARG 23 2.565 -8.820 7.211 176 HG3 ARG 23 2HG ARG 23 2.277 -8.656 5.463 177 HD2 ARG 23 1HD ARG 23 4.411 -9.696 5.003 178 HD3 ARG 23 2HD ARG 23 4.729 -9.834 6.747 179 HE ARG 23 HE ARG 23 3.175 -11.560 6.899 180 HH11 ARG 23 1HH1 ARG 23 3.235 -10.203 3.659 181 HH12 ARG 23 2HH1 ARG 23 2.344 -11.531 2.951 182 HH21 ARG 23 1HH2 ARG 23 2.018 -13.279 5.967 183 HH22 ARG 23 2HH2 ARG 23 1.654 -13.272 4.257 184 H VAL 24 H VAL 24 4.561 -5.242 8.309 185 HA VAL 24 HA VAL 24 5.515 -3.048 6.525 186 HB VAL 24 HB VAL 24 3.906 -2.187 8.266 187 HG11 VAL 24 1HG1 VAL 24 4.622 -2.128 10.604 188 HG12 VAL 24 2HG1 VAL 24 4.377 -3.792 10.024 189 HG13 VAL 24 3HG1 VAL 24 6.026 -3.144 10.199 190 HG21 VAL 24 1HG2 VAL 24 5.389 -0.364 9.038 191 HG22 VAL 24 2HG2 VAL 24 6.813 -1.329 8.578 192 HG23 VAL 24 3HG2 VAL 24 5.685 -0.752 7.327 193 H GLU 25 H GLU 25 7.667 -2.736 6.467 194 HA GLU 25 HA GLU 25 9.295 -4.036 8.611 195 HB2 GLU 25 1HB GLU 25 9.526 -5.237 6.445 196 HB3 GLU 25 2HB GLU 25 10.024 -3.740 5.668 197 HG2 GLU 25 1HG GLU 25 12.029 -3.643 7.029 198 HG3 GLU 25 2HG GLU 25 11.513 -5.054 7.950 199 H ILE 26 H ILE 26 10.674 -2.787 9.673 200 HA ILE 26 HA ILE 26 11.224 -0.079 8.531 201 HB ILE 26 HB ILE 26 10.953 -0.857 11.467 202 HG12 ILE 26 1HG1 ILE 26 9.084 1.066 10.982 203 HG13 ILE 26 2HG1 ILE 26 9.053 0.183 9.463 204 HG21 ILE 26 1HG2 ILE 26 11.177 1.559 11.879 205 HG22 ILE 26 2HG2 ILE 26 12.633 0.908 11.091 206 HG23 ILE 26 3HG2 ILE 26 11.447 1.835 10.142 207 HD11 ILE 26 1HD1 ILE 26 7.407 -0.695 11.023 208 HD12 ILE 26 2HD1 ILE 26 8.655 -1.916 10.677 209 HD13 ILE 26 3HD1 ILE 26 8.687 -1.022 12.216 210 H GLN 27 H GLN 27 13.265 0.419 8.164 211 HA GLN 27 HA GLN 27 15.366 -1.222 9.506 212 HB2 GLN 27 1HB GLN 27 15.365 -1.301 7.020 213 HB3 GLN 27 2HB GLN 27 15.541 0.448 6.966 214 HG2 GLN 27 1HG GLN 27 17.716 0.292 8.062 215 HG3 GLN 27 2HG GLN 27 17.536 -1.482 8.171 216 HE21 GLN 27 1HE2 GLN 27 19.409 -1.647 5.227 217 HE22 GLN 27 2HE2 GLN 27 19.333 -1.962 6.928 218 H ALA 28 H ALA 28 16.752 -0.335 10.875 219 HA ALA 28 HA ALA 28 16.344 2.540 11.461 220 HB1 ALA 28 1HB ALA 28 17.460 2.030 13.607 221 HB2 ALA 28 2HB ALA 28 16.061 0.968 13.322 222 HB3 ALA 28 3HB ALA 28 17.710 0.353 13.070 223 H LYS 29 H LYS 29 17.904 4.063 11.390 224 HA LYS 29 HA LYS 29 20.544 3.242 10.310 225 HB2 LYS 29 1HB LYS 29 19.314 5.998 10.719 226 HB3 LYS 29 2HB LYS 29 20.907 5.701 10.038 227 HG2 LYS 29 1HG LYS 29 18.303 4.713 8.834 228 HG3 LYS 29 2HG LYS 29 19.183 6.163 8.327 229 HD2 LYS 29 1HD LYS 29 21.170 4.729 7.814 230 HD3 LYS 29 2HD LYS 29 20.205 3.302 8.221 231 HE2 LYS 29 1HE LYS 29 18.604 3.855 6.434 232 HE3 LYS 29 2HE LYS 29 19.522 5.310 6.043 233 HZ1 LYS 29 1HZ LYS 29 20.058 3.508 4.576 234 HZ2 LYS 29 2HZ LYS 29 21.384 3.910 5.470 235 HZ3 LYS 29 3HZ LYS 29 20.526 2.551 5.835 236 H GLY 30 H GLY 30 19.390 3.014 13.193 237 HA2 GLY 30 1HA GLY 30 21.941 3.366 14.494 238 HA3 GLY 30 2HA GLY 30 20.846 4.655 14.956 239 HA PRO 31 HA PRO 31 20.299 0.789 17.619 240 HB2 PRO 31 1HB PRO 31 20.568 3.013 19.673 241 HB3 PRO 31 2HB PRO 31 21.151 1.346 19.758 242 HG2 PRO 31 1HG PRO 31 22.910 3.263 19.212 243 HG3 PRO 31 2HG PRO 31 22.978 1.760 18.286 244 HD2 PRO 31 1HD PRO 31 21.752 4.438 17.505 245 HD3 PRO 31 2HD PRO 31 22.785 3.329 16.518 246 H ALA 32 H ALA 32 18.220 0.237 17.982 247 HA ALA 32 HA ALA 32 16.211 2.280 18.643 248 HB1 ALA 32 1HB ALA 32 14.842 1.794 16.641 249 HB2 ALA 32 2HB ALA 32 16.411 2.515 16.208 250 HB3 ALA 32 3HB ALA 32 16.150 0.767 16.006 251 H GLU 33 H GLU 33 14.120 1.411 19.123 252 HA GLU 33 HA GLU 33 14.006 -1.563 19.263 253 HB2 GLU 33 1HB GLU 33 14.542 -0.724 21.526 254 HB3 GLU 33 2HB GLU 33 13.158 0.357 21.470 255 HG2 GLU 33 1HG GLU 33 11.633 -1.547 21.388 256 HG3 GLU 33 2HG GLU 33 12.998 -2.662 21.352 257 H PHE 34 H PHE 34 12.245 -2.400 18.399 258 HA PHE 34 HA PHE 34 10.061 -0.491 17.690 259 HB2 PHE 34 1HB PHE 34 10.912 -3.073 16.319 260 HB3 PHE 34 2HB PHE 34 9.565 -2.061 15.821 261 HD1 PHE 34 HD1 PHE 34 11.467 0.457 16.751 262 HD2 PHE 34 HD2 PHE 34 11.680 -2.755 13.942 263 HE1 PHE 34 HE1 PHE 34 12.993 1.795 15.340 264 HE2 PHE 34 HE2 PHE 34 13.209 -1.421 12.529 265 HZ PHE 34 HZ PHE 34 13.863 0.856 13.228 266 H GLU 35 H GLU 35 8.161 -0.742 18.610 267 HA GLU 35 HA GLU 35 7.534 -3.413 19.802 268 HB2 GLU 35 1HB GLU 35 8.030 -1.668 21.513 269 HB3 GLU 35 2HB GLU 35 6.746 -0.664 20.851 270 HG2 GLU 35 1HG GLU 35 5.066 -2.255 21.501 271 HG3 GLU 35 2HG GLU 35 6.288 -3.437 21.965 272 H GLY 36 H GLY 36 5.718 -4.364 19.203 273 HA2 GLY 36 1HA GLY 36 3.221 -3.333 18.678 274 HA3 GLY 36 2HA GLY 36 4.063 -3.071 17.161 275 H GLY 37 H GLY 37 1.818 -4.758 17.442 276 HA2 GLY 37 1HA GLY 37 1.194 -6.769 16.432 277 HA3 GLY 37 2HA GLY 37 2.886 -7.132 16.150 278 H GLY 38 H GLY 38 2.322 -6.263 19.385 279 HA2 GLY 38 1HA GLY 38 1.878 -7.574 21.313 280 HA3 GLY 38 2HA GLY 38 1.727 -9.004 20.310 281 H THR 39 H THR 39 4.439 -7.355 19.285 282 HA THR 39 HA THR 39 6.215 -8.822 21.186 283 HB THR 39 HB THR 39 7.696 -9.440 19.355 284 HG1 THR 39 HG1 THR 39 6.035 -7.686 17.939 285 HG21 THR 39 1HG2 THR 39 6.234 -10.979 18.103 286 HG22 THR 39 2HG2 THR 39 5.809 -10.963 19.831 287 HG23 THR 39 3HG2 THR 39 4.804 -10.080 18.660 288 H ARG 40 H ARG 40 8.506 -8.042 21.089 289 HA ARG 40 HA ARG 40 8.821 -5.309 20.003 290 HB2 ARG 40 1HB ARG 40 8.098 -5.055 22.389 291 HB3 ARG 40 2HB ARG 40 9.507 -5.980 22.885 292 HG2 ARG 40 1HG ARG 40 11.004 -4.278 22.141 293 HG3 ARG 40 2HG ARG 40 9.692 -3.401 21.316 294 HD2 ARG 40 1HD ARG 40 10.003 -2.229 23.277 295 HD3 ARG 40 2HD ARG 40 8.611 -3.276 23.631 296 HE ARG 40 HE ARG 40 11.392 -3.737 24.569 297 HH11 ARG 40 1HH1 ARG 40 7.922 -4.183 24.873 298 HH12 ARG 40 2HH1 ARG 40 8.035 -4.999 26.417 299 HH21 ARG 40 1HH2 ARG 40 11.528 -4.797 26.572 300 HH22 ARG 40 2HH2 ARG 40 10.075 -5.347 27.379 301 H THR 41 H THR 41 10.767 -4.975 19.134 302 HA THR 41 HA THR 41 12.917 -6.945 19.778 303 HB THR 41 HB THR 41 12.115 -5.949 17.011 304 HG1 THR 41 HG1 THR 41 11.931 -8.434 18.379 305 HG21 THR 41 1HG2 THR 41 13.941 -7.391 16.199 306 HG22 THR 41 2HG2 THR 41 14.568 -6.105 17.259 307 HG23 THR 41 3HG2 THR 41 14.397 -7.764 17.877 308 H ARG 42 H ARG 42 14.859 -6.125 20.191 309 HA ARG 42 HA ARG 42 15.330 -3.252 19.632 310 HB2 ARG 42 1HB ARG 42 16.916 -5.307 21.206 311 HB3 ARG 42 2HB ARG 42 17.450 -3.656 20.936 312 HG2 ARG 42 1HG ARG 42 15.476 -2.811 22.135 313 HG3 ARG 42 2HG ARG 42 14.939 -4.486 22.411 314 HD2 ARG 42 1HD ARG 42 16.986 -4.936 23.638 315 HD3 ARG 42 2HD ARG 42 17.516 -3.260 23.367 316 HE ARG 42 HE ARG 42 14.961 -3.199 24.555 317 HH11 ARG 42 1HH1 ARG 42 18.255 -4.134 25.343 318 HH12 ARG 42 2HH1 ARG 42 18.072 -3.805 27.051 319 HH21 ARG 42 1HH2 ARG 42 14.737 -2.777 26.775 320 HH22 ARG 42 2HH2 ARG 42 16.082 -3.037 27.864 321 H LEU 43 H LEU 43 16.906 -2.485 18.282 322 HA LEU 43 HA LEU 43 17.998 -4.544 16.409 323 HB2 LEU 43 1HB LEU 43 16.798 -1.836 15.731 324 HB3 LEU 43 2HB LEU 43 17.559 -2.932 14.575 325 HG LEU 43 HG LEU 43 15.684 -4.605 15.521 326 HD11 LEU 43 1HD1 LEU 43 13.601 -3.371 15.930 327 HD12 LEU 43 2HD1 LEU 43 14.832 -3.012 17.163 328 HD13 LEU 43 3HD1 LEU 43 14.499 -1.836 15.869 329 HD21 LEU 43 1HD2 LEU 43 14.313 -3.913 13.584 330 HD22 LEU 43 2HD2 LEU 43 15.220 -2.383 13.489 331 HD23 LEU 43 3HD2 LEU 43 16.044 -3.928 13.170 332 H ASN 44 H ASN 44 20.049 -4.273 15.652 333 HA ASN 44 HA ASN 44 21.582 -1.924 16.567 334 HB2 ASN 44 1HB ASN 44 22.390 -4.298 14.853 335 HB3 ASN 44 2HB ASN 44 23.477 -3.033 15.411 336 HD21 ASN 44 1HD2 ASN 44 23.009 -6.194 17.664 337 HD22 ASN 44 2HD2 ASN 44 22.771 -6.082 15.952 338 HA PRO 45 HA PRO 45 21.381 0.661 13.092 339 HB2 PRO 45 1HB PRO 45 24.390 0.260 12.829 340 HB3 PRO 45 2HB PRO 45 23.465 1.767 12.799 341 HG2 PRO 45 1HG PRO 45 24.743 1.142 15.038 342 HG3 PRO 45 2HG PRO 45 23.086 1.744 15.155 343 HD2 PRO 45 1HD PRO 45 24.101 -1.122 15.314 344 HD3 PRO 45 2HD PRO 45 22.846 -0.298 16.325 345 H GLY 46 H GLY 46 20.773 0.185 11.061 346 HA2 GLY 46 1HA GLY 46 21.216 -0.541 8.821 347 HA3 GLY 46 2HA GLY 46 22.430 -1.655 9.421 348 H GLU 47 H GLU 47 20.391 -2.402 11.627 349 HA GLU 47 HA GLU 47 19.375 -4.702 10.135 350 HB2 GLU 47 1HB GLU 47 19.152 -3.924 13.069 351 HB3 GLU 47 2HB GLU 47 18.559 -5.436 12.397 352 HG2 GLU 47 1HG GLU 47 20.857 -6.020 11.705 353 HG3 GLU 47 2HG GLU 47 21.441 -4.515 12.411 354 H SER 48 H SER 48 17.153 -5.466 10.355 355 HA SER 48 HA SER 48 15.163 -3.295 10.738 356 HB2 SER 48 1HB SER 48 14.054 -3.796 8.648 357 HB3 SER 48 2HB SER 48 15.731 -3.378 8.323 358 HG SER 48 HG SER 48 14.558 -5.423 7.480 359 H TYR 49 H TYR 49 12.906 -4.144 10.737 360 HA TYR 49 HA TYR 49 12.645 -7.038 11.217 361 HB2 TYR 49 1HB TYR 49 13.216 -5.918 13.449 362 HB3 TYR 49 2HB TYR 49 11.677 -5.077 13.327 363 HD1 TYR 49 HD1 TYR 49 13.282 -8.388 13.674 364 HD2 TYR 49 HD2 TYR 49 9.605 -6.179 13.761 365 HE1 TYR 49 HE1 TYR 49 12.141 -10.327 14.695 366 HE2 TYR 49 HE2 TYR 49 8.464 -8.119 14.782 367 HH TYR 49 HH TYR 49 8.663 -10.212 15.480 368 H LYS 50 H LYS 50 10.606 -7.846 10.900 369 HA LYS 50 HA LYS 50 8.756 -5.887 9.614 370 HB2 LYS 50 1HB LYS 50 9.734 -7.572 8.074 371 HB3 LYS 50 2HB LYS 50 9.091 -8.865 9.078 372 HG2 LYS 50 1HG LYS 50 6.820 -8.249 8.546 373 HG3 LYS 50 2HG LYS 50 7.363 -6.788 7.708 374 HD2 LYS 50 1HD LYS 50 8.184 -9.590 6.871 375 HD3 LYS 50 2HD LYS 50 6.774 -8.749 6.210 376 HE2 LYS 50 1HE LYS 50 8.332 -6.854 5.559 377 HE3 LYS 50 2HE LYS 50 9.682 -7.894 6.021 378 HZ1 LYS 50 1HZ LYS 50 9.226 -8.027 3.684 379 HZ2 LYS 50 2HZ LYS 50 8.936 -9.490 4.392 380 HZ3 LYS 50 3HZ LYS 50 7.675 -8.518 3.959 381 H PHE 51 H PHE 51 6.743 -5.661 10.310 382 HA PHE 51 HA PHE 51 5.756 -7.645 12.315 383 HB2 PHE 51 1HB PHE 51 4.970 -4.728 11.924 384 HB3 PHE 51 2HB PHE 51 4.242 -5.821 13.091 385 HD1 PHE 51 HD1 PHE 51 7.296 -3.970 12.200 386 HD2 PHE 51 HD2 PHE 51 5.362 -6.407 15.129 387 HE1 PHE 51 HE1 PHE 51 9.032 -3.362 13.852 388 HE2 PHE 51 HE2 PHE 51 7.095 -5.799 16.783 389 HZ PHE 51 HZ PHE 51 8.931 -4.277 16.144 390 H GLU 52 H GLU 52 3.674 -8.443 12.170 391 HA GLU 52 HA GLU 52 2.336 -7.973 9.541 392 HB2 GLU 52 1HB GLU 52 2.084 -10.340 11.443 393 HB3 GLU 52 2HB GLU 52 1.243 -10.167 9.909 394 HG2 GLU 52 1HG GLU 52 3.426 -10.150 8.736 395 HG3 GLU 52 2HG GLU 52 4.237 -10.389 10.283 396 H ASN 53 H ASN 53 0.317 -7.197 9.445 397 HA ASN 53 HA ASN 53 -1.160 -6.854 12.006 398 HB2 ASN 53 1HB ASN 53 -0.890 -4.876 10.514 399 HB3 ASN 53 2HB ASN 53 -1.768 -5.730 9.252 400 HD21 ASN 53 1HD2 ASN 53 -4.032 -3.480 11.215 401 HD22 ASN 53 2HD2 ASN 53 -2.506 -3.253 10.430 402 H LEU 54 H LEU 54 -1.993 -8.810 12.477 403 HA LEU 54 HA LEU 54 -3.386 -10.278 10.302 404 HB2 LEU 54 1HB LEU 54 -2.599 -11.190 13.092 405 HB3 LEU 54 2HB LEU 54 -3.297 -12.206 11.826 406 HG LEU 54 HG LEU 54 -0.566 -10.875 11.735 407 HD11 LEU 54 1HD1 LEU 54 0.265 -13.178 11.926 408 HD12 LEU 54 2HD1 LEU 54 -0.703 -12.707 13.343 409 HD13 LEU 54 3HD1 LEU 54 -1.406 -13.766 12.097 410 HD21 LEU 54 1HD2 LEU 54 -0.278 -12.211 9.674 411 HD22 LEU 54 2HD2 LEU 54 -1.957 -12.787 9.812 412 HD23 LEU 54 3HD2 LEU 54 -1.629 -11.063 9.509 413 H THR 55 H THR 55 -4.458 -7.884 11.753 414 HA THR 55 HA THR 55 -6.897 -9.189 12.886 415 HB THR 55 HB THR 55 -7.141 -7.417 14.473 416 HG1 THR 55 HG1 THR 55 -5.249 -6.122 12.823 417 HG21 THR 55 1HG2 THR 55 -5.028 -7.486 15.736 418 HG22 THR 55 2HG2 THR 55 -5.434 -9.093 15.089 419 HG23 THR 55 3HG2 THR 55 -4.184 -8.105 14.299 420 H SER 56 H SER 56 -8.715 -7.370 12.999 421 HA SER 56 HA SER 56 -9.096 -6.489 10.212 422 HB2 SER 56 1HB SER 56 -11.371 -6.008 10.884 423 HB3 SER 56 2HB SER 56 -10.926 -7.607 11.461 424 HG SER 56 HG SER 56 -11.752 -6.731 13.181 425 H GLN 57 H GLN 57 -7.608 -5.232 12.886 426 HA GLN 57 HA GLN 57 -8.575 -2.458 12.343 427 HB2 GLN 57 1HB GLN 57 -7.323 -3.567 14.887 428 HB3 GLN 57 2HB GLN 57 -7.900 -1.923 14.653 429 HG2 GLN 57 1HG GLN 57 -9.629 -4.404 14.546 430 HG3 GLN 57 2HG GLN 57 -9.467 -3.298 15.939 431 HE21 GLN 57 1HE2 GLN 57 -12.244 -2.591 13.196 432 HE22 GLN 57 2HE2 GLN 57 -11.454 -4.109 13.468 433 HA PRO 58 HA PRO 58 -4.620 -1.080 11.079 434 HB2 PRO 58 1HB PRO 58 -5.003 1.103 13.159 435 HB3 PRO 58 2HB PRO 58 -4.540 1.256 11.460 436 HG2 PRO 58 1HG PRO 58 -7.044 1.834 12.127 437 HG3 PRO 58 2HG PRO 58 -6.758 0.872 10.674 438 HD2 PRO 58 1HD PRO 58 -7.584 -0.060 13.455 439 HD3 PRO 58 2HD PRO 58 -8.232 -0.571 11.846 440 H LEU 59 H LEU 59 -2.518 -1.382 11.728 441 HA LEU 59 HA LEU 59 -2.125 -2.216 14.559 442 HB2 LEU 59 1HB LEU 59 -1.544 -3.931 12.962 443 HB3 LEU 59 2HB LEU 59 -0.568 -2.800 12.019 444 HG LEU 59 HG LEU 59 0.984 -2.624 14.015 445 HD11 LEU 59 1HD1 LEU 59 0.838 -4.408 15.695 446 HD12 LEU 59 2HD1 LEU 59 -0.601 -3.362 15.721 447 HD13 LEU 59 3HD1 LEU 59 -0.683 -4.972 14.964 448 HD21 LEU 59 1HD2 LEU 59 2.053 -4.800 13.533 449 HD22 LEU 59 2HD2 LEU 59 0.548 -5.371 12.772 450 HD23 LEU 59 3HD2 LEU 59 1.462 -4.032 12.040 451 H ARG 60 H ARG 60 -0.658 -1.286 15.874 452 HA ARG 60 HA ARG 60 0.632 1.184 14.798 453 HB2 ARG 60 1HB ARG 60 -0.217 0.552 17.644 454 HB3 ARG 60 2HB ARG 60 0.539 2.043 17.107 455 HG2 ARG 60 1HG ARG 60 -1.387 2.652 15.816 456 HG3 ARG 60 2HG ARG 60 -2.132 1.057 16.082 457 HD2 ARG 60 1HD ARG 60 -2.030 1.587 18.547 458 HD3 ARG 60 2HD ARG 60 -1.650 3.256 18.061 459 HE ARG 60 HE ARG 60 -4.195 1.831 17.713 460 HH11 ARG 60 1HH1 ARG 60 -2.261 4.697 17.087 461 HH12 ARG 60 2HH1 ARG 60 -3.642 5.695 16.693 462 HH21 ARG 60 1HH2 ARG 60 -5.979 3.138 17.199 463 HH22 ARG 60 2HH2 ARG 60 -5.746 4.814 16.755 464 H ILE 61 H ILE 61 2.758 1.210 14.679 465 HA ILE 61 HA ILE 61 4.285 -0.566 16.536 466 HB ILE 61 HB ILE 61 5.076 0.257 13.710 467 HG12 ILE 61 1HG1 ILE 61 4.844 -2.404 13.568 468 HG13 ILE 61 2HG1 ILE 61 3.617 -2.102 14.789 469 HG21 ILE 61 1HG2 ILE 61 6.883 -1.385 14.020 470 HG22 ILE 61 2HG2 ILE 61 6.988 -0.083 15.228 471 HG23 ILE 61 3HG2 ILE 61 6.340 -1.673 15.690 472 HD11 ILE 61 1HD1 ILE 61 2.647 -2.131 12.559 473 HD12 ILE 61 2HD1 ILE 61 2.494 -0.514 13.287 474 HD13 ILE 61 3HD1 ILE 61 3.736 -0.822 12.049 475 H ARG 62 H ARG 62 5.507 0.448 17.943 476 HA ARG 62 HA ARG 62 6.049 3.324 17.556 477 HB2 ARG 62 1HB ARG 62 6.581 1.487 19.916 478 HB3 ARG 62 2HB ARG 62 6.877 3.219 19.897 479 HG2 ARG 62 1HG ARG 62 4.145 2.001 19.448 480 HG3 ARG 62 2HG ARG 62 4.767 2.501 21.039 481 HD2 ARG 62 1HD ARG 62 4.961 4.758 20.323 482 HD3 ARG 62 2HD ARG 62 4.563 4.313 18.649 483 HE ARG 62 HE ARG 62 2.325 4.153 19.218 484 HH11 ARG 62 1HH1 ARG 62 4.283 4.622 22.098 485 HH12 ARG 62 2HH1 ARG 62 2.912 4.977 23.125 486 HH21 ARG 62 1HH2 ARG 62 0.553 4.615 20.561 487 HH22 ARG 62 2HH2 ARG 62 0.801 4.973 22.256 488 H LEU 63 H LEU 63 7.938 4.164 16.990 489 HA LEU 63 HA LEU 63 10.265 2.309 16.797 490 HB2 LEU 63 1HB LEU 63 9.930 4.998 15.437 491 HB3 LEU 63 2HB LEU 63 11.141 3.759 15.093 492 HG LEU 63 HG LEU 63 8.162 3.557 14.530 493 HD11 LEU 63 1HD1 LEU 63 8.883 3.622 12.185 494 HD12 LEU 63 2HD1 LEU 63 9.347 5.102 13.056 495 HD13 LEU 63 3HD1 LEU 63 10.568 3.854 12.710 496 HD21 LEU 63 1HD2 LEU 63 8.773 1.437 13.416 497 HD22 LEU 63 2HD2 LEU 63 10.457 1.638 13.957 498 HD23 LEU 63 3HD2 LEU 63 9.162 1.383 15.152 499 H ARG 64 H ARG 64 11.347 2.422 18.677 500 HA ARG 64 HA ARG 64 11.495 5.023 20.074 501 HB2 ARG 64 1HB ARG 64 10.840 3.006 21.342 502 HB3 ARG 64 2HB ARG 64 12.372 2.246 20.938 503 HG2 ARG 64 1HG ARG 64 13.575 3.987 22.196 504 HG3 ARG 64 2HG ARG 64 12.019 4.744 22.613 505 HD2 ARG 64 1HD ARG 64 11.332 2.691 23.729 506 HD3 ARG 64 2HD ARG 64 12.904 1.958 23.331 507 HE ARG 64 HE ARG 64 13.122 4.471 24.755 508 HH11 ARG 64 1HH1 ARG 64 12.710 0.998 25.080 509 HH12 ARG 64 2HH1 ARG 64 13.356 0.947 26.704 510 HH21 ARG 64 1HH2 ARG 64 13.959 4.392 26.864 511 HH22 ARG 64 2HH2 ARG 64 14.064 2.868 27.716 512 H ASN 65 H ASN 65 13.234 6.271 20.160 513 HA ASN 65 HA ASN 65 15.705 5.328 18.840 514 HB2 ASN 65 1HB ASN 65 14.783 7.556 18.280 515 HB3 ASN 65 2HB ASN 65 14.971 8.056 19.956 516 HD21 ASN 65 1HD2 ASN 65 17.870 9.204 17.905 517 HD22 ASN 65 2HD2 ASN 65 16.150 9.353 17.763 518 H LEU 66 H LEU 66 17.171 4.287 19.947 519 HA LEU 66 HA LEU 66 17.102 4.467 22.887 520 HB2 LEU 66 1HB LEU 66 18.681 2.668 21.014 521 HB3 LEU 66 2HB LEU 66 18.672 2.542 22.775 522 HG LEU 66 HG LEU 66 16.269 2.115 20.964 523 HD11 LEU 66 1HD1 LEU 66 16.529 -0.240 21.603 524 HD12 LEU 66 2HD1 LEU 66 17.958 0.367 20.736 525 HD13 LEU 66 3HD1 LEU 66 18.008 0.168 22.504 526 HD21 LEU 66 1HD2 LEU 66 15.191 1.323 23.042 527 HD22 LEU 66 2HD2 LEU 66 16.652 1.752 23.965 528 HD23 LEU 66 3HD2 LEU 66 15.685 3.027 23.187 529 H SER 67 H SER 67 18.666 6.108 20.458 530 HA SER 67 HA SER 67 21.344 6.006 21.740 531 HB2 SER 67 1HB SER 67 22.237 6.674 19.689 532 HB3 SER 67 2HB SER 67 20.908 5.626 19.219 533 HG SER 67 HG SER 67 19.631 7.538 19.067 534 H ASP 68 H ASP 68 22.558 8.241 21.255 535 HA ASP 68 HA ASP 68 21.004 10.241 22.788 536 HB2 ASP 68 1HB ASP 68 23.958 10.078 22.069 537 HB3 ASP 68 2HB ASP 68 23.235 11.400 22.976 538 H THR 69 H THR 69 21.330 9.494 19.637 539 HA THR 69 HA THR 69 21.075 12.355 18.831 540 HB THR 69 HB THR 69 22.307 11.889 16.749 541 HG1 THR 69 HG1 THR 69 21.776 9.532 16.891 542 HG21 THR 69 1HG2 THR 69 24.560 11.621 17.709 543 HG22 THR 69 2HG2 THR 69 23.568 12.709 18.708 544 HG23 THR 69 3HG2 THR 69 23.848 11.031 19.228 545 HA PRO 70 HA PRO 70 17.400 11.292 16.730 546 HB2 PRO 70 1HB PRO 70 18.621 12.809 14.394 547 HB3 PRO 70 2HB PRO 70 17.011 12.976 15.108 548 HG2 PRO 70 1HG PRO 70 18.839 14.803 15.716 549 HG3 PRO 70 2HG PRO 70 17.824 14.160 17.011 550 HD2 PRO 70 1HD PRO 70 20.681 13.411 16.266 551 HD3 PRO 70 2HD PRO 70 19.971 13.701 17.904 552 H ILE 71 H ILE 71 16.735 9.632 15.429 553 HA ILE 71 HA ILE 71 18.781 8.422 13.615 554 HB ILE 71 HB ILE 71 16.689 7.037 15.344 555 HG12 ILE 71 1HG1 ILE 71 19.706 6.800 15.321 556 HG13 ILE 71 2HG1 ILE 71 18.789 7.774 16.459 557 HG21 ILE 71 1HG2 ILE 71 17.532 4.942 14.364 558 HG22 ILE 71 2HG2 ILE 71 16.810 5.986 13.118 559 HG23 ILE 71 3HG2 ILE 71 18.579 5.872 13.267 560 HD11 ILE 71 1HD1 ILE 71 19.410 5.636 17.435 561 HD12 ILE 71 2HD1 ILE 71 17.640 5.762 17.277 562 HD13 ILE 71 3HD1 ILE 71 18.570 4.774 16.124 563 H GLU 72 H GLU 72 18.250 8.177 11.551 564 HA GLU 72 HA GLU 72 15.497 8.713 10.675 565 HB2 GLU 72 1HB GLU 72 18.027 7.961 9.159 566 HB3 GLU 72 2HB GLU 72 16.474 8.255 8.388 567 HG2 GLU 72 1HG GLU 72 16.473 10.557 9.246 568 HG3 GLU 72 2HG GLU 72 18.021 10.266 10.037 569 H PHE 73 H PHE 73 14.089 7.283 9.740 570 HA PHE 73 HA PHE 73 14.918 4.416 9.730 571 HB2 PHE 73 1HB PHE 73 12.231 5.513 10.652 572 HB3 PHE 73 2HB PHE 73 12.632 3.811 10.486 573 HD1 PHE 73 HD1 PHE 73 13.243 6.873 12.429 574 HD2 PHE 73 HD2 PHE 73 13.997 2.680 12.108 575 HE1 PHE 73 HE1 PHE 73 14.094 6.851 14.750 576 HE2 PHE 73 HE2 PHE 73 14.848 2.654 14.429 577 HZ PHE 73 HZ PHE 73 14.898 4.740 15.750 578 H ARG 74 H ARG 74 14.266 3.205 8.023 579 HA ARG 74 HA ARG 74 12.524 4.557 6.012 580 HB2 ARG 74 1HB ARG 74 14.747 3.871 5.187 581 HB3 ARG 74 2HB ARG 74 14.428 2.214 5.675 582 HG2 ARG 74 1HG ARG 74 12.628 2.035 4.046 583 HG3 ARG 74 2HG ARG 74 12.849 3.742 3.591 584 HD2 ARG 74 1HD ARG 74 15.110 3.256 2.857 585 HD3 ARG 74 2HD ARG 74 14.894 1.551 3.317 586 HE ARG 74 HE ARG 74 12.799 2.147 1.593 587 HH11 ARG 74 1HH1 ARG 74 16.310 2.149 1.462 588 HH12 ARG 74 2HH1 ARG 74 16.371 1.790 -0.250 589 HH21 ARG 74 1HH2 ARG 74 12.892 1.681 -0.628 590 HH22 ARG 74 2HH2 ARG 74 14.436 1.525 -1.433 591 H ILE 75 H ILE 75 10.522 3.866 5.744 592 HA ILE 75 HA ILE 75 9.815 1.222 6.948 593 HB ILE 75 HB ILE 75 8.148 3.772 6.819 594 HG12 ILE 75 1HG1 ILE 75 8.277 3.208 9.417 595 HG13 ILE 75 2HG1 ILE 75 9.799 2.475 8.937 596 HG21 ILE 75 1HG2 ILE 75 6.490 2.491 8.112 597 HG22 ILE 75 2HG2 ILE 75 6.772 1.747 6.521 598 HG23 ILE 75 3HG2 ILE 75 7.504 1.034 7.977 599 HD11 ILE 75 1HD1 ILE 75 10.122 4.773 9.660 600 HD12 ILE 75 2HD1 ILE 75 10.522 4.598 7.935 601 HD13 ILE 75 3HD1 ILE 75 8.980 5.342 8.421 602 H ARG 76 H ARG 76 9.015 -0.248 5.635 603 HA ARG 76 HA ARG 76 7.648 0.698 3.150 604 HB2 ARG 76 1HB ARG 76 9.751 -0.385 2.571 605 HB3 ARG 76 2HB ARG 76 9.356 -1.777 3.566 606 HG2 ARG 76 1HG ARG 76 7.474 -2.315 2.068 607 HG3 ARG 76 2HG ARG 76 7.901 -0.916 1.053 608 HD2 ARG 76 1HD ARG 76 9.821 -3.133 1.694 609 HD3 ARG 76 2HD ARG 76 8.737 -3.147 0.284 610 HE ARG 76 HE ARG 76 10.117 -0.697 0.292 611 HH11 ARG 76 1HH1 ARG 76 10.788 -4.125 -0.084 612 HH12 ARG 76 2HH1 ARG 76 12.170 -3.869 -1.125 613 HH21 ARG 76 1HH2 ARG 76 11.914 -0.376 -1.061 614 HH22 ARG 76 2HH2 ARG 76 12.809 -1.747 -1.678 615 H GLU 77 H GLU 77 5.612 0.094 2.882 616 HA GLU 77 HA GLU 77 4.599 -2.157 4.567 617 HB2 GLU 77 1HB GLU 77 3.552 0.069 5.002 618 HB3 GLU 77 2HB GLU 77 3.043 0.146 3.321 619 HG2 GLU 77 1HG GLU 77 1.618 -1.805 3.623 620 HG3 GLU 77 2HG GLU 77 2.184 -1.994 5.281 621 H GLU 78 H GLU 78 3.580 -3.852 3.665 622 HA GLU 78 HA GLU 78 3.994 -4.214 0.794 623 HB2 GLU 78 1HB GLU 78 2.811 -6.025 2.937 624 HB3 GLU 78 2HB GLU 78 3.032 -6.503 1.259 625 HG2 GLU 78 1HG GLU 78 5.461 -6.154 1.479 626 HG3 GLU 78 2HG GLU 78 5.237 -5.681 3.162 Start of MODEL 7 1 H1 THR 1 1H THR 1 2.155 -2.176 -3.128 2 H2 THR 1 2H THR 1 1.442 -0.775 -2.687 3 H3 THR 1 3H THR 1 2.551 -0.785 -3.886 4 HA THR 1 HA THR 1 3.040 -1.390 -1.080 5 HB THR 1 HB THR 1 5.423 -1.482 -1.703 6 HG1 THR 1 HG1 THR 1 5.272 -0.125 -3.572 7 HG21 THR 1 1HG2 THR 1 5.389 -3.599 -2.965 8 HG22 THR 1 2HG2 THR 1 4.115 -3.578 -1.721 9 HG23 THR 1 3HG2 THR 1 3.697 -3.299 -3.428 10 H ARG 2 H ARG 2 4.303 0.165 0.033 11 HA ARG 2 HA ARG 2 4.359 2.857 -1.244 12 HB2 ARG 2 1HB ARG 2 3.327 2.246 1.547 13 HB3 ARG 2 2HB ARG 2 3.566 3.855 0.881 14 HG2 ARG 2 1HG ARG 2 1.909 3.163 -0.955 15 HG3 ARG 2 2HG ARG 2 1.512 1.792 0.110 16 HD2 ARG 2 1HD ARG 2 1.431 4.683 0.936 17 HD3 ARG 2 2HD ARG 2 0.030 3.739 0.380 18 HE ARG 2 HE ARG 2 1.137 2.247 2.425 19 HH11 ARG 2 1HH1 ARG 2 -0.136 5.504 2.079 20 HH12 ARG 2 2HH1 ARG 2 -0.681 5.602 3.738 21 HH21 ARG 2 1HH2 ARG 2 0.425 2.387 4.576 22 HH22 ARG 2 2HH2 ARG 2 -0.365 3.838 5.152 23 H GLU 3 H GLU 3 5.895 4.319 -0.386 24 HA GLU 3 HA GLU 3 7.689 3.227 1.726 25 HB2 GLU 3 1HB GLU 3 8.565 4.542 -0.876 26 HB3 GLU 3 2HB GLU 3 9.628 4.297 0.502 27 HG2 GLU 3 1HG GLU 3 9.141 1.830 0.328 28 HG3 GLU 3 2HG GLU 3 8.290 2.172 -1.177 29 H THR 4 H THR 4 8.435 4.675 3.203 30 HA THR 4 HA THR 4 8.276 7.550 2.599 31 HB THR 4 HB THR 4 6.037 6.980 3.616 32 HG1 THR 4 HG1 THR 4 6.209 8.954 4.333 33 HG21 THR 4 1HG2 THR 4 5.973 6.465 6.024 34 HG22 THR 4 2HG2 THR 4 6.806 5.177 5.119 35 HG23 THR 4 3HG2 THR 4 7.748 6.361 6.054 36 H LYS 5 H LYS 5 8.823 8.645 4.992 37 HA LYS 5 HA LYS 5 11.098 7.192 6.173 38 HB2 LYS 5 1HB LYS 5 12.026 8.319 4.135 39 HB3 LYS 5 2HB LYS 5 11.495 9.867 4.777 40 HG2 LYS 5 1HG LYS 5 13.008 9.661 6.667 41 HG3 LYS 5 2HG LYS 5 13.471 8.030 6.161 42 HD2 LYS 5 1HD LYS 5 14.338 8.978 4.018 43 HD3 LYS 5 2HD LYS 5 13.948 10.601 4.607 44 HE2 LYS 5 1HE LYS 5 15.473 10.267 6.529 45 HE3 LYS 5 2HE LYS 5 15.867 8.651 5.936 46 HZ1 LYS 5 1HZ LYS 5 17.509 10.254 5.286 47 HZ2 LYS 5 2HZ LYS 5 16.752 9.660 3.947 48 HZ3 LYS 5 3HZ LYS 5 16.384 11.170 4.501 49 H VAL 6 H VAL 6 11.577 7.794 8.210 50 HA VAL 6 HA VAL 6 10.335 10.291 9.243 51 HB VAL 6 HB VAL 6 8.807 8.375 9.752 52 HG11 VAL 6 1HG1 VAL 6 9.515 6.657 11.344 53 HG12 VAL 6 2HG1 VAL 6 10.456 6.596 9.835 54 HG13 VAL 6 3HG1 VAL 6 11.172 7.304 11.303 55 HG21 VAL 6 1HG2 VAL 6 8.643 8.824 12.180 56 HG22 VAL 6 2HG2 VAL 6 10.271 9.541 12.156 57 HG23 VAL 6 3HG2 VAL 6 8.942 10.322 11.267 58 H THR 7 H THR 7 11.514 11.358 10.759 59 HA THR 7 HA THR 7 13.954 9.973 11.785 60 HB THR 7 HB THR 7 13.357 12.959 11.616 61 HG1 THR 7 HG1 THR 7 15.531 12.123 10.269 62 HG21 THR 7 1HG2 THR 7 15.705 13.224 12.317 63 HG22 THR 7 2HG2 THR 7 14.762 12.367 13.560 64 HG23 THR 7 3HG2 THR 7 15.857 11.460 12.490 65 H VAL 8 H VAL 8 14.195 9.572 13.877 66 HA VAL 8 HA VAL 8 12.106 10.673 15.712 67 HB VAL 8 HB VAL 8 13.479 7.957 15.876 68 HG11 VAL 8 1HG1 VAL 8 11.834 7.489 17.627 69 HG12 VAL 8 2HG1 VAL 8 12.893 8.855 18.054 70 HG13 VAL 8 3HG1 VAL 8 11.227 9.158 17.501 71 HG21 VAL 8 1HG2 VAL 8 11.261 7.054 15.252 72 HG22 VAL 8 2HG2 VAL 8 10.644 8.711 15.050 73 HG23 VAL 8 3HG2 VAL 8 11.916 8.097 13.968 74 H ASN 9 H ASN 9 12.756 11.647 17.524 75 HA ASN 9 HA ASN 9 15.659 12.038 17.852 76 HB2 ASN 9 1HB ASN 9 13.247 13.302 19.191 77 HB3 ASN 9 2HB ASN 9 14.911 13.690 19.610 78 HD21 ASN 9 1HD2 ASN 9 13.141 15.343 16.397 79 HD22 ASN 9 2HD2 ASN 9 12.320 14.280 17.491 80 HA PRO 10 HA PRO 10 16.573 9.396 21.133 81 HB2 PRO 10 1HB PRO 10 17.380 11.910 22.661 82 HB3 PRO 10 2HB PRO 10 18.258 10.384 22.498 83 HG2 PRO 10 1HG PRO 10 19.033 12.422 20.991 84 HG3 PRO 10 2HG PRO 10 18.894 10.830 20.242 85 HD2 PRO 10 1HD PRO 10 16.965 13.180 20.128 86 HD3 PRO 10 2HD PRO 10 17.475 12.055 18.804 87 H GLY 11 H GLY 11 15.203 8.484 22.546 88 HA2 GLY 11 1HA GLY 11 13.838 8.334 24.464 89 HA3 GLY 11 2HA GLY 11 13.844 10.083 24.605 90 H GLU 12 H GLU 12 13.168 10.133 21.581 91 HA GLU 12 HA GLU 12 10.305 10.404 22.037 92 HB2 GLU 12 1HB GLU 12 11.710 11.939 20.582 93 HB3 GLU 12 2HB GLU 12 11.826 10.632 19.411 94 HG2 GLU 12 1HG GLU 12 9.428 10.647 19.075 95 HG3 GLU 12 2HG GLU 12 9.219 11.840 20.356 96 H GLU 13 H GLU 13 8.631 9.256 21.166 97 HA GLU 13 HA GLU 13 9.385 6.690 19.832 98 HB2 GLU 13 1HB GLU 13 7.027 7.321 21.652 99 HB3 GLU 13 2HB GLU 13 7.199 5.824 20.748 100 HG2 GLU 13 1HG GLU 13 9.293 5.338 21.961 101 HG3 GLU 13 2HG GLU 13 9.097 6.830 22.878 102 H TYR 14 H TYR 14 8.409 6.105 17.976 103 HA TYR 14 HA TYR 14 6.357 7.992 16.900 104 HB2 TYR 14 1HB TYR 14 8.434 8.349 15.693 105 HB3 TYR 14 2HB TYR 14 8.654 6.621 15.452 106 HD1 TYR 14 HD1 TYR 14 6.247 9.383 14.692 107 HD2 TYR 14 HD2 TYR 14 7.940 5.629 13.487 108 HE1 TYR 14 HE1 TYR 14 5.039 9.529 12.540 109 HE2 TYR 14 HE2 TYR 14 6.733 5.775 11.336 110 HH TYR 14 HH TYR 14 4.583 8.515 10.615 111 H GLU 15 H GLU 15 4.516 7.175 16.187 112 HA GLU 15 HA GLU 15 4.135 4.268 16.483 113 HB2 GLU 15 1HB GLU 15 2.196 6.549 15.933 114 HB3 GLU 15 2HB GLU 15 1.713 4.864 16.056 115 HG2 GLU 15 1HG GLU 15 2.516 4.784 18.371 116 HG3 GLU 15 2HG GLU 15 3.050 6.459 18.252 117 H VAL 16 H VAL 16 4.326 2.896 14.879 118 HA VAL 16 HA VAL 16 4.063 3.912 12.095 119 HB VAL 16 HB VAL 16 5.168 1.265 13.127 120 HG11 VAL 16 1HG1 VAL 16 6.021 0.978 10.851 121 HG12 VAL 16 2HG1 VAL 16 4.244 1.063 10.892 122 HG13 VAL 16 3HG1 VAL 16 5.190 2.471 10.353 123 HG21 VAL 16 1HG2 VAL 16 7.365 2.229 12.521 124 HG22 VAL 16 2HG2 VAL 16 6.569 3.759 12.081 125 HG23 VAL 16 3HG2 VAL 16 6.557 3.204 13.771 126 H LYS 17 H LYS 17 2.238 3.599 11.039 127 HA LYS 17 HA LYS 17 0.206 1.830 12.215 128 HB2 LYS 17 1HB LYS 17 -0.365 4.132 11.429 129 HB3 LYS 17 2HB LYS 17 0.054 3.662 9.787 130 HG2 LYS 17 1HG LYS 17 -1.755 2.005 9.771 131 HG3 LYS 17 2HG LYS 17 -2.159 2.416 11.444 132 HD2 LYS 17 1HD LYS 17 -2.668 4.735 10.761 133 HD3 LYS 17 2HD LYS 17 -2.246 4.339 9.089 134 HE2 LYS 17 1HE LYS 17 -4.055 2.638 9.048 135 HE3 LYS 17 2HE LYS 17 -4.492 3.074 10.703 136 HZ1 LYS 17 1HZ LYS 17 -5.877 4.177 9.105 137 HZ2 LYS 17 2HZ LYS 17 -4.981 5.291 9.927 138 HZ3 LYS 17 3HZ LYS 17 -4.574 4.883 8.381 139 H VAL 18 H VAL 18 -0.343 -0.115 11.549 140 HA VAL 18 HA VAL 18 0.613 -0.975 8.850 141 HB VAL 18 HB VAL 18 0.325 -2.709 11.340 142 HG11 VAL 18 1HG1 VAL 18 1.437 -4.424 9.995 143 HG12 VAL 18 2HG1 VAL 18 -0.116 -3.924 9.286 144 HG13 VAL 18 3HG1 VAL 18 1.411 -3.335 8.588 145 HG21 VAL 18 1HG2 VAL 18 2.797 -2.798 11.285 146 HG22 VAL 18 2HG2 VAL 18 2.806 -1.655 9.921 147 HG23 VAL 18 3HG2 VAL 18 2.218 -1.131 11.517 148 H ASN 19 H ASN 19 -0.902 -1.613 7.483 149 HA ASN 19 HA ASN 19 -3.683 -1.694 8.385 150 HB2 ASN 19 1HB ASN 19 -2.387 -2.052 5.667 151 HB3 ASN 19 2HB ASN 19 -4.122 -2.147 5.935 152 HD21 ASN 19 1HD2 ASN 19 -2.448 1.372 5.304 153 HD22 ASN 19 2HD2 ASN 19 -1.749 -0.168 4.927 154 HA PRO 20 HA PRO 20 -4.218 -5.924 9.158 155 HB2 PRO 20 1HB PRO 20 -6.756 -5.523 7.518 156 HB3 PRO 20 2HB PRO 20 -6.561 -6.335 9.077 157 HG2 PRO 20 1HG PRO 20 -7.548 -3.873 9.080 158 HG3 PRO 20 2HG PRO 20 -6.311 -4.285 10.273 159 HD2 PRO 20 1HD PRO 20 -6.015 -2.768 7.648 160 HD3 PRO 20 2HD PRO 20 -5.279 -2.410 9.262 161 H GLY 21 H GLY 21 -3.386 -7.643 8.115 162 HA2 GLY 21 1HA GLY 21 -3.298 -9.288 6.419 163 HA3 GLY 21 2HA GLY 21 -4.183 -8.225 5.340 164 H THR 22 H THR 22 -2.029 -6.140 6.466 165 HA THR 22 HA THR 22 -0.120 -6.741 4.254 166 HB THR 22 HB THR 22 0.304 -4.359 4.104 167 HG1 THR 22 HG1 THR 22 -0.971 -4.362 6.595 168 HG21 THR 22 1HG2 THR 22 -1.940 -3.508 3.550 169 HG22 THR 22 2HG2 THR 22 -1.731 -5.177 2.969 170 HG23 THR 22 3HG2 THR 22 -2.677 -4.861 4.441 171 H ARG 23 H ARG 23 2.094 -5.740 4.584 172 HA ARG 23 HA ARG 23 2.940 -5.962 7.436 173 HB2 ARG 23 1HB ARG 23 4.410 -7.134 5.051 174 HB3 ARG 23 2HB ARG 23 4.990 -7.126 6.709 175 HG2 ARG 23 1HG ARG 23 2.895 -8.469 7.296 176 HG3 ARG 23 2HG ARG 23 2.689 -8.684 5.542 177 HD2 ARG 23 1HD ARG 23 5.218 -9.356 7.014 178 HD3 ARG 23 2HD ARG 23 3.900 -10.514 6.725 179 HE ARG 23 HE ARG 23 4.840 -9.167 4.333 180 HH11 ARG 23 1HH1 ARG 23 5.303 -11.895 6.497 181 HH12 ARG 23 2HH1 ARG 23 6.098 -12.878 5.288 182 HH21 ARG 23 1HH2 ARG 23 5.874 -10.454 2.773 183 HH22 ARG 23 2HH2 ARG 23 6.422 -12.064 3.181 184 H VAL 24 H VAL 24 4.543 -4.598 8.103 185 HA VAL 24 HA VAL 24 5.596 -2.705 6.044 186 HB VAL 24 HB VAL 24 4.754 -2.075 8.906 187 HG11 VAL 24 1HG1 VAL 24 5.333 0.240 8.367 188 HG12 VAL 24 2HG1 VAL 24 6.747 -0.836 8.290 189 HG13 VAL 24 3HG1 VAL 24 5.963 -0.285 6.789 190 HG21 VAL 24 1HG2 VAL 24 3.076 -0.627 7.805 191 HG22 VAL 24 2HG2 VAL 24 3.641 -1.187 6.212 192 HG23 VAL 24 3HG2 VAL 24 2.864 -2.329 7.334 193 H GLU 25 H GLU 25 7.730 -2.465 5.975 194 HA GLU 25 HA GLU 25 9.310 -3.641 8.224 195 HB2 GLU 25 1HB GLU 25 9.528 -4.832 6.040 196 HB3 GLU 25 2HB GLU 25 10.094 -3.344 5.296 197 HG2 GLU 25 1HG GLU 25 12.069 -3.333 6.704 198 HG3 GLU 25 2HG GLU 25 11.485 -4.738 7.591 199 H ILE 26 H ILE 26 10.784 -2.454 9.249 200 HA ILE 26 HA ILE 26 11.360 0.260 8.135 201 HB ILE 26 HB ILE 26 11.080 -0.452 11.085 202 HG12 ILE 26 1HG1 ILE 26 9.079 1.281 10.636 203 HG13 ILE 26 2HG1 ILE 26 9.111 0.490 9.068 204 HG21 ILE 26 1HG2 ILE 26 11.159 1.988 11.396 205 HG22 ILE 26 2HG2 ILE 26 12.644 1.395 10.617 206 HG23 ILE 26 3HG2 ILE 26 11.393 2.208 9.646 207 HD11 ILE 26 1HD1 ILE 26 7.529 -0.592 10.564 208 HD12 ILE 26 2HD1 ILE 26 8.859 -1.700 10.153 209 HD13 ILE 26 3HD1 ILE 26 8.826 -0.900 11.742 210 H GLN 27 H GLN 27 13.415 0.713 7.809 211 HA GLN 27 HA GLN 27 15.453 -1.043 9.091 212 HB2 GLN 27 1HB GLN 27 15.469 -0.918 6.603 213 HB3 GLN 27 2HB GLN 27 15.707 0.822 6.695 214 HG2 GLN 27 1HG GLN 27 17.871 0.537 7.721 215 HG3 GLN 27 2HG GLN 27 17.624 -1.229 7.822 216 HE21 GLN 27 1HE2 GLN 27 19.509 -1.424 4.881 217 HE22 GLN 27 2HE2 GLN 27 19.434 -1.729 6.584 218 H ALA 28 H ALA 28 16.880 -0.306 10.512 219 HA ALA 28 HA ALA 28 16.541 2.526 11.328 220 HB1 ALA 28 1HB ALA 28 17.593 1.809 13.449 221 HB2 ALA 28 2HB ALA 28 16.162 0.826 13.058 222 HB3 ALA 28 3HB ALA 28 17.794 0.171 12.787 223 H LYS 29 H LYS 29 18.177 3.976 11.472 224 HA LYS 29 HA LYS 29 20.812 3.106 10.391 225 HB2 LYS 29 1HB LYS 29 19.653 5.894 10.781 226 HB3 LYS 29 2HB LYS 29 21.255 5.550 10.143 227 HG2 LYS 29 1HG LYS 29 18.671 4.622 8.856 228 HG3 LYS 29 2HG LYS 29 19.561 6.082 8.402 229 HD2 LYS 29 1HD LYS 29 21.560 4.664 7.904 230 HD3 LYS 29 2HD LYS 29 20.596 3.226 8.267 231 HE2 LYS 29 1HE LYS 29 19.022 3.816 6.459 232 HE3 LYS 29 2HE LYS 29 19.965 5.264 6.101 233 HZ1 LYS 29 1HZ LYS 29 20.512 3.470 4.629 234 HZ2 LYS 29 2HZ LYS 29 21.824 3.849 5.554 235 HZ3 LYS 29 3HZ LYS 29 20.942 2.495 5.888 236 H GLY 30 H GLY 30 19.533 2.912 13.233 237 HA2 GLY 30 1HA GLY 30 22.018 3.209 14.663 238 HA3 GLY 30 2HA GLY 30 20.950 4.548 15.038 239 HA PRO 31 HA PRO 31 20.189 0.735 17.738 240 HB2 PRO 31 1HB PRO 31 20.338 3.024 19.740 241 HB3 PRO 31 2HB PRO 31 20.867 1.347 19.931 242 HG2 PRO 31 1HG PRO 31 22.714 3.196 19.447 243 HG3 PRO 31 2HG PRO 31 22.808 1.658 18.583 244 HD2 PRO 31 1HD PRO 31 21.744 4.341 17.615 245 HD3 PRO 31 2HD PRO 31 22.775 3.140 16.739 246 H ALA 32 H ALA 32 18.109 0.175 18.070 247 HA ALA 32 HA ALA 32 16.085 2.085 18.897 248 HB1 ALA 32 1HB ALA 32 14.681 1.880 16.871 249 HB2 ALA 32 2HB ALA 32 16.232 2.682 16.520 250 HB3 ALA 32 3HB ALA 32 15.988 0.979 16.067 251 H GLU 33 H GLU 33 13.942 1.099 19.124 252 HA GLU 33 HA GLU 33 13.831 -1.819 18.665 253 HB2 GLU 33 1HB GLU 33 12.968 -2.291 20.904 254 HB3 GLU 33 2HB GLU 33 14.576 -1.587 21.017 255 HG2 GLU 33 1HG GLU 33 13.615 0.581 21.602 256 HG3 GLU 33 2HG GLU 33 11.988 -0.071 21.421 257 H PHE 34 H PHE 34 11.716 -2.673 18.532 258 HA PHE 34 HA PHE 34 9.572 -0.592 18.384 259 HB2 PHE 34 1HB PHE 34 9.807 -3.260 16.934 260 HB3 PHE 34 2HB PHE 34 8.387 -2.226 16.885 261 HD1 PHE 34 HD1 PHE 34 11.953 -2.467 15.941 262 HD2 PHE 34 HD2 PHE 34 8.294 -0.309 15.488 263 HE1 PHE 34 HE1 PHE 34 12.924 -1.224 14.039 264 HE2 PHE 34 HE2 PHE 34 9.261 0.936 13.583 265 HZ PHE 34 HZ PHE 34 11.578 0.478 12.860 266 H GLU 35 H GLU 35 7.645 -0.916 19.412 267 HA GLU 35 HA GLU 35 7.191 -3.555 20.694 268 HB2 GLU 35 1HB GLU 35 8.170 -2.059 22.430 269 HB3 GLU 35 2HB GLU 35 6.889 -0.891 22.141 270 HG2 GLU 35 1HG GLU 35 5.213 -2.481 22.911 271 HG3 GLU 35 2HG GLU 35 6.447 -3.722 23.111 272 H GLY 36 H GLY 36 5.239 -4.310 20.292 273 HA2 GLY 36 1HA GLY 36 2.805 -3.150 20.724 274 HA3 GLY 36 2HA GLY 36 3.185 -2.566 19.114 275 H GLY 37 H GLY 37 1.024 -4.336 19.893 276 HA2 GLY 37 1HA GLY 37 -0.064 -6.104 18.836 277 HA3 GLY 37 2HA GLY 37 1.325 -6.295 17.781 278 H GLY 38 H GLY 38 2.106 -6.247 21.120 279 HA2 GLY 38 1HA GLY 38 2.489 -7.992 22.667 280 HA3 GLY 38 2HA GLY 38 1.876 -9.155 21.506 281 H THR 39 H THR 39 4.003 -7.130 19.906 282 HA THR 39 HA THR 39 6.226 -9.092 20.280 283 HB THR 39 HB THR 39 5.488 -7.463 17.810 284 HG1 THR 39 HG1 THR 39 4.152 -9.218 17.937 285 HG21 THR 39 1HG2 THR 39 7.307 -8.715 16.717 286 HG22 THR 39 2HG2 THR 39 7.932 -7.730 18.061 287 HG23 THR 39 3HG2 THR 39 7.717 -9.483 18.267 288 H ARG 40 H ARG 40 8.203 -8.406 20.805 289 HA ARG 40 HA ARG 40 8.802 -5.507 20.454 290 HB2 ARG 40 1HB ARG 40 8.289 -5.908 22.836 291 HB3 ARG 40 2HB ARG 40 9.502 -7.177 22.893 292 HG2 ARG 40 1HG ARG 40 11.271 -5.551 22.463 293 HG3 ARG 40 2HG ARG 40 10.060 -4.253 22.329 294 HD2 ARG 40 1HD ARG 40 9.391 -4.621 24.620 295 HD3 ARG 40 2HD ARG 40 10.557 -5.956 24.761 296 HE ARG 40 HE ARG 40 11.834 -3.535 23.909 297 HH11 ARG 40 1HH1 ARG 40 10.511 -5.169 26.723 298 HH12 ARG 40 2HH1 ARG 40 11.544 -4.324 27.855 299 HH21 ARG 40 1HH2 ARG 40 13.170 -2.445 25.387 300 HH22 ARG 40 2HH2 ARG 40 13.049 -2.783 27.099 301 H THR 41 H THR 41 10.671 -5.097 19.479 302 HA THR 41 HA THR 41 12.756 -7.212 19.428 303 HB THR 41 HB THR 41 11.605 -5.889 16.933 304 HG1 THR 41 HG1 THR 41 11.428 -8.473 18.082 305 HG21 THR 41 1HG2 THR 41 13.218 -7.301 15.721 306 HG22 THR 41 2HG2 THR 41 14.056 -6.171 16.812 307 HG23 THR 41 3HG2 THR 41 13.879 -7.882 17.267 308 H ARG 42 H ARG 42 14.748 -6.459 19.644 309 HA ARG 42 HA ARG 42 15.154 -3.521 19.404 310 HB2 ARG 42 1HB ARG 42 15.821 -4.646 21.526 311 HB3 ARG 42 2HB ARG 42 16.955 -5.642 20.627 312 HG2 ARG 42 1HG ARG 42 18.307 -3.743 20.066 313 HG3 ARG 42 2HG ARG 42 17.088 -2.619 20.716 314 HD2 ARG 42 1HD ARG 42 17.413 -3.567 22.934 315 HD3 ARG 42 2HD ARG 42 18.649 -4.665 22.277 316 HE ARG 42 HE ARG 42 19.336 -2.014 21.586 317 HH11 ARG 42 1HH1 ARG 42 19.084 -4.077 24.418 318 HH12 ARG 42 2HH1 ARG 42 20.330 -3.226 25.304 319 HH21 ARG 42 1HH2 ARG 42 20.950 -0.917 22.746 320 HH22 ARG 42 2HH2 ARG 42 21.386 -1.437 24.359 321 H LEU 43 H LEU 43 16.640 -2.616 18.054 322 HA LEU 43 HA LEU 43 17.691 -4.479 15.966 323 HB2 LEU 43 1HB LEU 43 16.527 -1.691 15.779 324 HB3 LEU 43 2HB LEU 43 17.537 -2.363 14.496 325 HG LEU 43 HG LEU 43 15.822 -4.332 14.496 326 HD11 LEU 43 1HD1 LEU 43 13.570 -3.664 15.209 327 HD12 LEU 43 2HD1 LEU 43 14.706 -3.710 16.577 328 HD13 LEU 43 3HD1 LEU 43 14.229 -2.148 15.868 329 HD21 LEU 43 1HD2 LEU 43 14.405 -3.060 12.919 330 HD22 LEU 43 2HD2 LEU 43 15.075 -1.535 13.546 331 HD23 LEU 43 3HD2 LEU 43 16.128 -2.680 12.682 332 H ASN 44 H ASN 44 19.800 -4.349 15.367 333 HA ASN 44 HA ASN 44 21.439 -2.135 16.451 334 HB2 ASN 44 1HB ASN 44 22.194 -4.504 14.706 335 HB3 ASN 44 2HB ASN 44 23.320 -3.320 15.356 336 HD21 ASN 44 1HD2 ASN 44 22.572 -6.519 17.477 337 HD22 ASN 44 2HD2 ASN 44 22.426 -6.340 15.760 338 HA PRO 45 HA PRO 45 21.484 0.544 13.046 339 HB2 PRO 45 1HB PRO 45 24.490 0.060 12.946 340 HB3 PRO 45 2HB PRO 45 23.613 1.594 12.905 341 HG2 PRO 45 1HG PRO 45 24.738 0.871 15.195 342 HG3 PRO 45 2HG PRO 45 23.098 1.524 15.233 343 HD2 PRO 45 1HD PRO 45 24.012 -1.376 15.374 344 HD3 PRO 45 2HD PRO 45 22.724 -0.539 16.330 345 H GLY 46 H GLY 46 20.984 0.139 10.969 346 HA2 GLY 46 1HA GLY 46 21.543 -0.573 8.743 347 HA3 GLY 46 2HA GLY 46 22.636 -1.774 9.404 348 H GLU 47 H GLU 47 20.500 -2.491 11.464 349 HA GLU 47 HA GLU 47 19.362 -4.637 9.847 350 HB2 GLU 47 1HB GLU 47 19.059 -3.946 12.796 351 HB3 GLU 47 2HB GLU 47 18.404 -5.392 12.041 352 HG2 GLU 47 1HG GLU 47 20.675 -6.123 11.452 353 HG3 GLU 47 2HG GLU 47 21.337 -4.667 12.193 354 H SER 48 H SER 48 17.040 -5.263 10.143 355 HA SER 48 HA SER 48 15.274 -2.865 10.232 356 HB2 SER 48 1HB SER 48 14.139 -3.549 8.209 357 HB3 SER 48 2HB SER 48 15.850 -3.355 7.869 358 HG SER 48 HG SER 48 14.507 -5.360 7.271 359 H TYR 49 H TYR 49 12.950 -3.451 10.322 360 HA TYR 49 HA TYR 49 12.461 -6.132 11.497 361 HB2 TYR 49 1HB TYR 49 12.830 -4.901 13.491 362 HB3 TYR 49 2HB TYR 49 12.013 -3.473 12.871 363 HD1 TYR 49 HD1 TYR 49 11.476 -6.945 14.069 364 HD2 TYR 49 HD2 TYR 49 9.691 -3.152 13.156 365 HE1 TYR 49 HE1 TYR 49 9.380 -7.667 15.162 366 HE2 TYR 49 HE2 TYR 49 7.596 -3.874 14.250 367 HH TYR 49 HH TYR 49 7.271 -7.131 15.634 368 H LYS 50 H LYS 50 10.494 -6.978 11.113 369 HA LYS 50 HA LYS 50 8.625 -5.262 9.535 370 HB2 LYS 50 1HB LYS 50 9.929 -6.833 8.082 371 HB3 LYS 50 2HB LYS 50 9.289 -8.186 9.005 372 HG2 LYS 50 1HG LYS 50 6.985 -7.520 8.316 373 HG3 LYS 50 2HG LYS 50 7.691 -6.243 7.315 374 HD2 LYS 50 1HD LYS 50 8.235 -9.223 7.040 375 HD3 LYS 50 2HD LYS 50 7.194 -8.257 5.984 376 HE2 LYS 50 1HE LYS 50 9.218 -6.811 5.479 377 HE3 LYS 50 2HE LYS 50 10.197 -7.995 6.350 378 HZ1 LYS 50 1HZ LYS 50 10.187 -8.415 4.002 379 HZ2 LYS 50 2HZ LYS 50 9.458 -9.664 4.794 380 HZ3 LYS 50 3HZ LYS 50 8.545 -8.559 3.980 381 H PHE 51 H PHE 51 6.611 -5.202 10.208 382 HA PHE 51 HA PHE 51 5.728 -7.328 12.116 383 HB2 PHE 51 1HB PHE 51 5.835 -5.090 13.140 384 HB3 PHE 51 2HB PHE 51 4.814 -4.435 11.870 385 HD1 PHE 51 HD1 PHE 51 4.906 -6.625 14.827 386 HD2 PHE 51 HD2 PHE 51 2.440 -4.773 11.869 387 HE1 PHE 51 HE1 PHE 51 2.897 -7.172 16.160 388 HE2 PHE 51 HE2 PHE 51 0.430 -5.317 13.201 389 HZ PHE 51 HZ PHE 51 0.659 -6.519 15.347 390 H GLU 52 H GLU 52 3.911 -8.451 11.739 391 HA GLU 52 HA GLU 52 2.335 -7.687 9.317 392 HB2 GLU 52 1HB GLU 52 3.479 -9.876 9.121 393 HB3 GLU 52 2HB GLU 52 2.700 -10.427 10.597 394 HG2 GLU 52 1HG GLU 52 0.528 -10.357 9.559 395 HG3 GLU 52 2HG GLU 52 1.187 -9.589 8.117 396 H ASN 53 H ASN 53 0.289 -7.134 9.547 397 HA ASN 53 HA ASN 53 -0.871 -7.238 12.259 398 HB2 ASN 53 1HB ASN 53 -0.958 -5.139 10.939 399 HB3 ASN 53 2HB ASN 53 -1.916 -5.956 9.711 400 HD21 ASN 53 1HD2 ASN 53 -4.116 -4.078 12.071 401 HD22 ASN 53 2HD2 ASN 53 -2.732 -3.664 11.115 402 H LEU 54 H LEU 54 -1.788 -9.065 12.838 403 HA LEU 54 HA LEU 54 -3.124 -10.693 10.743 404 HB2 LEU 54 1HB LEU 54 -2.220 -11.398 13.556 405 HB3 LEU 54 2HB LEU 54 -3.001 -12.516 12.435 406 HG LEU 54 HG LEU 54 -0.304 -11.189 11.990 407 HD11 LEU 54 1HD1 LEU 54 0.593 -13.435 12.411 408 HD12 LEU 54 2HD1 LEU 54 -0.267 -12.794 13.830 409 HD13 LEU 54 3HD1 LEU 54 -1.044 -14.017 12.796 410 HD21 LEU 54 1HD2 LEU 54 -0.154 -12.781 10.105 411 HD22 LEU 54 2HD2 LEU 54 -1.802 -13.354 10.457 412 HD23 LEU 54 3HD2 LEU 54 -1.540 -11.682 9.906 413 H THR 55 H THR 55 -4.189 -8.262 12.315 414 HA THR 55 HA THR 55 -6.561 -9.610 13.530 415 HB THR 55 HB THR 55 -6.865 -7.714 14.942 416 HG1 THR 55 HG1 THR 55 -4.942 -6.414 13.274 417 HG21 THR 55 1HG2 THR 55 -4.694 -7.466 16.081 418 HG22 THR 55 2HG2 THR 55 -4.985 -9.163 15.626 419 HG23 THR 55 3HG2 THR 55 -3.868 -8.162 14.667 420 H SER 56 H SER 56 -8.452 -7.798 13.561 421 HA SER 56 HA SER 56 -8.973 -7.331 10.671 422 HB2 SER 56 1HB SER 56 -11.320 -7.183 11.314 423 HB3 SER 56 2HB SER 56 -10.614 -8.674 11.918 424 HG SER 56 HG SER 56 -11.908 -7.003 13.281 425 H GLN 57 H GLN 57 -7.544 -5.646 12.983 426 HA GLN 57 HA GLN 57 -8.723 -3.079 12.049 427 HB2 GLN 57 1HB GLN 57 -8.168 -3.861 14.935 428 HB3 GLN 57 2HB GLN 57 -8.404 -2.199 14.416 429 HG2 GLN 57 1HG GLN 57 -10.450 -4.362 13.922 430 HG3 GLN 57 2HG GLN 57 -10.409 -3.358 15.400 431 HE21 GLN 57 1HE2 GLN 57 -11.692 -1.831 11.810 432 HE22 GLN 57 2HE2 GLN 57 -10.862 -3.350 11.889 433 HA PRO 58 HA PRO 58 -4.609 -1.827 11.280 434 HB2 PRO 58 1HB PRO 58 -5.589 0.807 12.441 435 HB3 PRO 58 2HB PRO 58 -4.693 0.518 10.945 436 HG2 PRO 58 1HG PRO 58 -7.302 0.976 10.764 437 HG3 PRO 58 2HG PRO 58 -6.605 -0.326 9.796 438 HD2 PRO 58 1HD PRO 58 -8.128 -0.497 12.429 439 HD3 PRO 58 2HD PRO 58 -8.283 -1.534 10.954 440 H LEU 59 H LEU 59 -2.737 -1.769 12.457 441 HA LEU 59 HA LEU 59 -2.996 -1.307 15.400 442 HB2 LEU 59 1HB LEU 59 -1.139 -3.209 13.925 443 HB3 LEU 59 2HB LEU 59 -1.110 -2.906 15.665 444 HG LEU 59 HG LEU 59 -3.442 -4.134 14.150 445 HD11 LEU 59 1HD1 LEU 59 -2.737 -6.222 15.230 446 HD12 LEU 59 2HD1 LEU 59 -1.477 -5.583 14.148 447 HD13 LEU 59 3HD1 LEU 59 -1.319 -5.391 15.911 448 HD21 LEU 59 1HD2 LEU 59 -4.273 -4.635 16.423 449 HD22 LEU 59 2HD2 LEU 59 -2.876 -3.781 17.122 450 HD23 LEU 59 3HD2 LEU 59 -4.090 -2.881 16.180 451 H ARG 60 H ARG 60 -1.201 -0.382 16.483 452 HA ARG 60 HA ARG 60 0.640 1.114 14.662 453 HB2 ARG 60 1HB ARG 60 -0.530 2.038 17.309 454 HB3 ARG 60 2HB ARG 60 0.652 2.922 16.356 455 HG2 ARG 60 1HG ARG 60 -1.017 3.039 14.495 456 HG3 ARG 60 2HG ARG 60 -2.208 2.296 15.589 457 HD2 ARG 60 1HD ARG 60 -1.783 4.152 17.180 458 HD3 ARG 60 2HD ARG 60 -0.779 4.919 15.927 459 HE ARG 60 HE ARG 60 -3.334 4.258 14.862 460 HH11 ARG 60 1HH1 ARG 60 -1.770 6.516 17.050 461 HH12 ARG 60 2HH1 ARG 60 -2.945 7.783 16.783 462 HH21 ARG 60 1HH2 ARG 60 -4.853 5.910 14.523 463 HH22 ARG 60 2HH2 ARG 60 -4.691 7.442 15.353 464 H ILE 61 H ILE 61 2.706 0.664 14.906 465 HA ILE 61 HA ILE 61 3.548 -0.717 17.408 466 HB ILE 61 HB ILE 61 4.994 -0.588 14.727 467 HG12 ILE 61 1HG1 ILE 61 2.892 -1.740 14.432 468 HG13 ILE 61 2HG1 ILE 61 4.220 -2.889 14.391 469 HG21 ILE 61 1HG2 ILE 61 6.302 -2.456 15.656 470 HG22 ILE 61 2HG2 ILE 61 6.457 -0.999 16.667 471 HG23 ILE 61 3HG2 ILE 61 5.398 -2.332 17.185 472 HD11 ILE 61 1HD1 ILE 61 2.335 -3.772 15.647 473 HD12 ILE 61 2HD1 ILE 61 3.744 -3.543 16.710 474 HD13 ILE 61 3HD1 ILE 61 2.397 -2.380 16.752 475 H ARG 62 H ARG 62 4.990 0.139 18.766 476 HA ARG 62 HA ARG 62 5.555 2.992 18.307 477 HB2 ARG 62 1HB ARG 62 6.019 1.266 20.763 478 HB3 ARG 62 2HB ARG 62 6.181 3.013 20.688 479 HG2 ARG 62 1HG ARG 62 3.717 3.081 20.035 480 HG3 ARG 62 2HG ARG 62 3.663 1.364 20.505 481 HD2 ARG 62 1HD ARG 62 2.983 2.570 22.384 482 HD3 ARG 62 2HD ARG 62 4.665 2.089 22.702 483 HE ARG 62 HE ARG 62 5.264 4.295 22.744 484 HH11 ARG 62 1HH1 ARG 62 2.131 4.009 21.181 485 HH12 ARG 62 2HH1 ARG 62 1.873 5.738 21.104 486 HH21 ARG 62 1HH2 ARG 62 4.917 6.537 22.639 487 HH22 ARG 62 2HH2 ARG 62 3.448 7.169 21.929 488 H LEU 63 H LEU 63 7.393 3.675 17.484 489 HA LEU 63 HA LEU 63 9.788 1.923 17.702 490 HB2 LEU 63 1HB LEU 63 9.363 2.465 15.440 491 HB3 LEU 63 2HB LEU 63 8.984 4.148 15.821 492 HG LEU 63 HG LEU 63 11.381 4.551 16.341 493 HD11 LEU 63 1HD1 LEU 63 13.032 2.838 15.742 494 HD12 LEU 63 2HD1 LEU 63 11.960 2.288 17.053 495 HD13 LEU 63 3HD1 LEU 63 11.717 1.691 15.394 496 HD21 LEU 63 1HD2 LEU 63 12.157 4.416 13.998 497 HD22 LEU 63 2HD2 LEU 63 10.827 3.291 13.623 498 HD23 LEU 63 3HD2 LEU 63 10.467 4.972 14.082 499 H ARG 64 H ARG 64 11.293 2.374 19.134 500 HA ARG 64 HA ARG 64 11.323 5.131 20.283 501 HB2 ARG 64 1HB ARG 64 10.703 3.324 21.864 502 HB3 ARG 64 2HB ARG 64 12.224 2.511 21.532 503 HG2 ARG 64 1HG ARG 64 13.456 4.435 22.460 504 HG3 ARG 64 2HG ARG 64 11.906 5.235 22.817 505 HD2 ARG 64 1HD ARG 64 12.684 2.528 23.866 506 HD3 ARG 64 2HD ARG 64 12.953 4.058 24.733 507 HE ARG 64 HE ARG 64 10.263 4.028 24.023 508 HH11 ARG 64 1HH1 ARG 64 12.439 2.075 25.969 509 HH12 ARG 64 2HH1 ARG 64 11.187 1.562 27.078 510 HH21 ARG 64 1HH2 ARG 64 8.646 3.354 25.468 511 HH22 ARG 64 2HH2 ARG 64 9.039 2.284 26.795 512 H ASN 65 H ASN 65 13.095 6.337 20.133 513 HA ASN 65 HA ASN 65 15.503 5.203 18.881 514 HB2 ASN 65 1HB ASN 65 14.686 7.442 18.232 515 HB3 ASN 65 2HB ASN 65 14.915 8.008 19.882 516 HD21 ASN 65 1HD2 ASN 65 17.837 8.927 17.746 517 HD22 ASN 65 2HD2 ASN 65 16.124 9.142 17.609 518 H LEU 66 H LEU 66 16.999 4.194 19.975 519 HA LEU 66 HA LEU 66 16.968 4.483 22.919 520 HB2 LEU 66 1HB LEU 66 18.291 2.447 21.092 521 HB3 LEU 66 2HB LEU 66 18.379 2.419 22.856 522 HG LEU 66 HG LEU 66 15.841 2.121 21.209 523 HD11 LEU 66 1HD1 LEU 66 15.923 -0.208 21.979 524 HD12 LEU 66 2HD1 LEU 66 17.348 0.210 20.999 525 HD13 LEU 66 3HD1 LEU 66 17.485 0.108 22.770 526 HD21 LEU 66 1HD2 LEU 66 14.821 1.553 23.388 527 HD22 LEU 66 2HD2 LEU 66 16.369 1.895 24.200 528 HD23 LEU 66 3HD2 LEU 66 15.476 3.209 23.398 529 H SER 67 H SER 67 18.505 6.017 20.499 530 HA SER 67 HA SER 67 21.234 5.791 21.661 531 HB2 SER 67 1HB SER 67 22.071 6.496 19.594 532 HB3 SER 67 2HB SER 67 20.711 5.473 19.152 533 HG SER 67 HG SER 67 19.455 7.346 18.992 534 H ASP 68 H ASP 68 22.504 7.983 21.238 535 HA ASP 68 HA ASP 68 20.947 10.088 22.648 536 HB2 ASP 68 1HB ASP 68 23.941 9.749 22.212 537 HB3 ASP 68 2HB ASP 68 23.208 11.125 23.026 538 H THR 69 H THR 69 21.091 9.302 19.632 539 HA THR 69 HA THR 69 21.195 12.123 18.726 540 HB THR 69 HB THR 69 23.423 11.187 18.172 541 HG1 THR 69 HG1 THR 69 21.788 11.423 15.844 542 HG21 THR 69 1HG2 THR 69 23.599 9.355 16.535 543 HG22 THR 69 2HG2 THR 69 22.771 8.810 18.013 544 HG23 THR 69 3HG2 THR 69 21.830 9.169 16.547 545 HA PRO 70 HA PRO 70 17.474 11.174 16.627 546 HB2 PRO 70 1HB PRO 70 18.740 12.871 14.439 547 HB3 PRO 70 2HB PRO 70 17.107 12.964 15.110 548 HG2 PRO 70 1HG PRO 70 18.884 14.761 15.916 549 HG3 PRO 70 2HG PRO 70 17.845 14.004 17.127 550 HD2 PRO 70 1HD PRO 70 20.737 13.369 16.415 551 HD3 PRO 70 2HD PRO 70 19.967 13.501 18.048 552 H ILE 71 H ILE 71 16.856 9.580 15.237 553 HA ILE 71 HA ILE 71 18.943 8.497 13.390 554 HB ILE 71 HB ILE 71 16.828 6.984 14.979 555 HG12 ILE 71 1HG1 ILE 71 19.842 6.775 15.105 556 HG13 ILE 71 2HG1 ILE 71 18.888 7.770 16.194 557 HG21 ILE 71 1HG2 ILE 71 17.796 4.964 13.955 558 HG22 ILE 71 2HG2 ILE 71 17.104 6.039 12.717 559 HG23 ILE 71 3HG2 ILE 71 18.865 5.979 12.958 560 HD11 ILE 71 1HD1 ILE 71 19.430 5.628 17.209 561 HD12 ILE 71 2HD1 ILE 71 17.673 5.779 16.968 562 HD13 ILE 71 3HD1 ILE 71 18.641 4.771 15.865 563 H GLU 72 H GLU 72 18.451 8.364 11.308 564 HA GLU 72 HA GLU 72 15.694 8.877 10.423 565 HB2 GLU 72 1HB GLU 72 18.248 8.285 8.874 566 HB3 GLU 72 2HB GLU 72 16.696 8.646 8.131 567 HG2 GLU 72 1HG GLU 72 16.703 10.862 9.236 568 HG3 GLU 72 2HG GLU 72 18.286 10.497 9.921 569 H PHE 73 H PHE 73 14.247 7.434 9.761 570 HA PHE 73 HA PHE 73 15.166 4.600 9.497 571 HB2 PHE 73 1HB PHE 73 12.505 5.631 10.562 572 HB3 PHE 73 2HB PHE 73 12.901 3.940 10.302 573 HD1 PHE 73 HD1 PHE 73 13.676 6.929 12.321 574 HD2 PHE 73 HD2 PHE 73 14.245 2.722 11.848 575 HE1 PHE 73 HE1 PHE 73 14.623 6.803 14.601 576 HE2 PHE 73 HE2 PHE 73 15.190 2.591 14.129 577 HZ PHE 73 HZ PHE 73 15.382 4.633 15.504 578 H ARG 74 H ARG 74 14.561 3.471 7.745 579 HA ARG 74 HA ARG 74 12.842 4.875 5.761 580 HB2 ARG 74 1HB ARG 74 15.053 4.142 4.962 581 HB3 ARG 74 2HB ARG 74 14.693 2.488 5.436 582 HG2 ARG 74 1HG ARG 74 12.909 2.362 3.777 583 HG3 ARG 74 2HG ARG 74 13.195 4.060 3.325 584 HD2 ARG 74 1HD ARG 74 15.446 3.506 2.630 585 HD3 ARG 74 2HD ARG 74 15.181 1.811 3.103 586 HE ARG 74 HE ARG 74 13.139 2.529 1.314 587 HH11 ARG 74 1HH1 ARG 74 16.628 2.116 1.324 588 HH12 ARG 74 2HH1 ARG 74 16.704 1.663 -0.363 589 HH21 ARG 74 1HH2 ARG 74 13.251 1.940 -0.875 590 HH22 ARG 74 2HH2 ARG 74 14.794 1.563 -1.609 591 H ILE 75 H ILE 75 10.837 4.236 5.386 592 HA ILE 75 HA ILE 75 10.015 1.586 6.500 593 HB ILE 75 HB ILE 75 8.404 4.173 6.392 594 HG12 ILE 75 1HG1 ILE 75 9.454 2.654 8.789 595 HG13 ILE 75 2HG1 ILE 75 10.216 4.083 8.108 596 HG21 ILE 75 1HG2 ILE 75 6.700 2.894 7.624 597 HG22 ILE 75 2HG2 ILE 75 7.007 2.175 6.026 598 HG23 ILE 75 3HG2 ILE 75 7.695 1.425 7.485 599 HD11 ILE 75 1HD1 ILE 75 8.846 4.652 10.034 600 HD12 ILE 75 2HD1 ILE 75 8.187 5.395 8.557 601 HD13 ILE 75 3HD1 ILE 75 7.415 3.947 9.247 602 H ARG 76 H ARG 76 9.089 0.194 5.168 603 HA ARG 76 HA ARG 76 7.731 1.261 2.741 604 HB2 ARG 76 1HB ARG 76 8.676 -0.503 1.367 605 HB3 ARG 76 2HB ARG 76 9.972 0.447 2.079 606 HG2 ARG 76 1HG ARG 76 10.321 -1.313 3.777 607 HG3 ARG 76 2HG ARG 76 9.039 -2.279 3.008 608 HD2 ARG 76 1HD ARG 76 10.316 -2.289 0.930 609 HD3 ARG 76 2HD ARG 76 11.607 -1.364 1.732 610 HE ARG 76 HE ARG 76 11.049 -3.690 3.249 611 HH11 ARG 76 1HH1 ARG 76 12.469 -2.726 0.185 612 HH12 ARG 76 2HH1 ARG 76 13.548 -4.101 0.109 613 HH21 ARG 76 1HH2 ARG 76 12.454 -5.470 3.141 614 HH22 ARG 76 2HH2 ARG 76 13.541 -5.654 1.782 615 H GLU 77 H GLU 77 5.986 0.069 1.991 616 HA GLU 77 HA GLU 77 5.003 -1.969 3.947 617 HB2 GLU 77 1HB GLU 77 3.769 0.161 4.135 618 HB3 GLU 77 2HB GLU 77 3.414 0.130 2.414 619 HG2 GLU 77 1HG GLU 77 2.046 -1.855 2.681 620 HG3 GLU 77 2HG GLU 77 2.486 -1.971 4.383 621 H GLU 78 H GLU 78 4.269 -3.852 3.205 622 HA GLU 78 HA GLU 78 4.588 -4.388 0.333 623 HB2 GLU 78 1HB GLU 78 3.850 -6.211 2.657 624 HB3 GLU 78 2HB GLU 78 4.109 -6.752 1.004 625 HG2 GLU 78 1HG GLU 78 6.440 -5.945 1.115 626 HG3 GLU 78 2HG GLU 78 6.175 -5.436 2.781 Start of MODEL 8 1 H1 THR 1 1H THR 1 -0.320 -1.285 -0.599 2 H2 THR 1 2H THR 1 -0.262 0.135 0.205 3 H3 THR 1 3H THR 1 -0.370 0.123 -1.425 4 HA THR 1 HA THR 1 1.875 -0.837 0.160 5 HB THR 1 HB THR 1 1.492 -0.694 -2.861 6 HG1 THR 1 HG1 THR 1 1.313 -2.696 -0.947 7 HG21 THR 1 1HG2 THR 1 3.769 -1.631 -2.974 8 HG22 THR 1 2HG2 THR 1 3.776 -0.037 -2.182 9 HG23 THR 1 3HG2 THR 1 3.908 -1.516 -1.203 10 H ARG 2 H ARG 2 3.439 0.580 0.585 11 HA ARG 2 HA ARG 2 3.665 3.115 -0.830 12 HB2 ARG 2 1HB ARG 2 3.133 4.543 1.111 13 HB3 ARG 2 2HB ARG 2 1.727 3.656 0.541 14 HG2 ARG 2 1HG ARG 2 2.037 2.023 2.383 15 HG3 ARG 2 2HG ARG 2 3.400 3.002 2.978 16 HD2 ARG 2 1HD ARG 2 1.964 4.867 3.354 17 HD3 ARG 2 2HD ARG 2 0.593 4.016 2.603 18 HE ARG 2 HE ARG 2 1.459 2.376 4.665 19 HH11 ARG 2 1HH1 ARG 2 0.243 5.656 4.349 20 HH12 ARG 2 2HH1 ARG 2 -0.490 5.672 5.938 21 HH21 ARG 2 1HH2 ARG 2 0.504 2.409 6.725 22 HH22 ARG 2 2HH2 ARG 2 -0.342 3.834 7.283 23 H GLU 3 H GLU 3 5.318 4.544 0.183 24 HA GLU 3 HA GLU 3 7.039 3.251 2.199 25 HB2 GLU 3 1HB GLU 3 7.883 2.414 -0.001 26 HB3 GLU 3 2HB GLU 3 8.122 4.074 -0.526 27 HG2 GLU 3 1HG GLU 3 9.789 4.428 1.206 28 HG3 GLU 3 2HG GLU 3 9.495 2.819 1.860 29 H THR 4 H THR 4 7.991 4.662 3.523 30 HA THR 4 HA THR 4 8.268 7.483 2.680 31 HB THR 4 HB THR 4 5.968 7.258 3.704 32 HG1 THR 4 HG1 THR 4 6.336 9.236 4.337 33 HG21 THR 4 1HG2 THR 4 5.832 6.936 6.142 34 HG22 THR 4 2HG2 THR 4 6.509 5.495 5.348 35 HG23 THR 4 3HG2 THR 4 7.583 6.626 6.204 36 H LYS 5 H LYS 5 8.941 8.679 4.984 37 HA LYS 5 HA LYS 5 10.955 7.055 6.373 38 HB2 LYS 5 1HB LYS 5 12.084 7.740 4.240 39 HB3 LYS 5 2HB LYS 5 11.810 9.424 4.663 40 HG2 LYS 5 1HG LYS 5 13.236 9.209 6.628 41 HG3 LYS 5 2HG LYS 5 13.443 7.479 6.319 42 HD2 LYS 5 1HD LYS 5 14.500 8.008 4.134 43 HD3 LYS 5 2HD LYS 5 14.322 9.735 4.478 44 HE2 LYS 5 1HE LYS 5 15.732 9.462 6.505 45 HE3 LYS 5 2HE LYS 5 15.936 7.751 6.122 46 HZ1 LYS 5 1HZ LYS 5 17.782 9.052 5.355 47 HZ2 LYS 5 2HZ LYS 5 16.991 8.396 4.066 48 HZ3 LYS 5 3HZ LYS 5 16.801 9.995 4.424 49 H VAL 6 H VAL 6 11.280 7.728 8.379 50 HA VAL 6 HA VAL 6 10.442 10.509 9.061 51 HB VAL 6 HB VAL 6 9.356 9.691 11.098 52 HG11 VAL 6 1HG1 VAL 6 7.438 8.541 10.107 53 HG12 VAL 6 2HG1 VAL 6 7.991 9.903 9.102 54 HG13 VAL 6 3HG1 VAL 6 8.386 8.232 8.633 55 HG21 VAL 6 1HG2 VAL 6 9.065 7.264 11.477 56 HG22 VAL 6 2HG2 VAL 6 10.067 6.921 10.048 57 HG23 VAL 6 3HG2 VAL 6 10.786 7.712 11.471 58 H THR 7 H THR 7 11.280 11.259 11.155 59 HA THR 7 HA THR 7 13.766 9.815 11.971 60 HB THR 7 HB THR 7 13.344 12.834 11.878 61 HG1 THR 7 HG1 THR 7 15.438 11.917 10.467 62 HG21 THR 7 1HG2 THR 7 15.715 12.939 12.540 63 HG22 THR 7 2HG2 THR 7 14.746 12.108 13.779 64 HG23 THR 7 3HG2 THR 7 15.764 11.166 12.665 65 H VAL 8 H VAL 8 14.060 9.425 14.070 66 HA VAL 8 HA VAL 8 12.048 10.592 15.949 67 HB VAL 8 HB VAL 8 13.509 7.927 16.169 68 HG11 VAL 8 1HG1 VAL 8 11.970 7.494 18.021 69 HG12 VAL 8 2HG1 VAL 8 13.008 8.906 18.333 70 HG13 VAL 8 3HG1 VAL 8 11.310 9.137 17.855 71 HG21 VAL 8 1HG2 VAL 8 11.290 6.937 15.701 72 HG22 VAL 8 2HG2 VAL 8 10.616 8.565 15.460 73 HG23 VAL 8 3HG2 VAL 8 11.848 7.937 14.340 74 H ASN 9 H ASN 9 12.740 11.680 17.676 75 HA ASN 9 HA ASN 9 15.624 12.194 17.882 76 HB2 ASN 9 1HB ASN 9 13.262 13.304 19.438 77 HB3 ASN 9 2HB ASN 9 14.927 13.839 19.621 78 HD21 ASN 9 1HD2 ASN 9 12.705 15.675 16.997 79 HD22 ASN 9 2HD2 ASN 9 12.189 14.849 18.429 80 HA PRO 10 HA PRO 10 16.835 9.556 21.075 81 HB2 PRO 10 1HB PRO 10 17.730 12.093 22.512 82 HB3 PRO 10 2HB PRO 10 18.616 10.581 22.279 83 HG2 PRO 10 1HG PRO 10 19.224 12.623 20.703 84 HG3 PRO 10 2HG PRO 10 19.046 11.025 19.974 85 HD2 PRO 10 1HD PRO 10 17.070 13.340 20.023 86 HD3 PRO 10 2HD PRO 10 17.490 12.226 18.659 87 H GLY 11 H GLY 11 15.603 8.641 22.611 88 HA2 GLY 11 1HA GLY 11 14.517 8.503 24.702 89 HA3 GLY 11 2HA GLY 11 14.519 10.254 24.818 90 H GLU 12 H GLU 12 13.444 10.117 21.865 91 HA GLU 12 HA GLU 12 10.616 10.150 22.772 92 HB2 GLU 12 1HB GLU 12 11.954 11.305 20.292 93 HB3 GLU 12 2HB GLU 12 10.233 11.409 20.632 94 HG2 GLU 12 1HG GLU 12 10.764 12.652 22.725 95 HG3 GLU 12 2HG GLU 12 12.466 12.622 22.270 96 H GLU 13 H GLU 13 9.066 9.702 20.786 97 HA GLU 13 HA GLU 13 9.900 7.152 19.509 98 HB2 GLU 13 1HB GLU 13 7.854 6.024 20.269 99 HB3 GLU 13 2HB GLU 13 8.834 6.523 21.642 100 HG2 GLU 13 1HG GLU 13 7.371 8.447 22.017 101 HG3 GLU 13 2HG GLU 13 6.409 8.009 20.606 102 H TYR 14 H TYR 14 8.201 6.348 17.970 103 HA TYR 14 HA TYR 14 6.404 8.471 16.960 104 HB2 TYR 14 1HB TYR 14 8.491 8.779 15.679 105 HB3 TYR 14 2HB TYR 14 8.488 7.079 15.228 106 HD1 TYR 14 HD1 TYR 14 6.709 10.303 14.814 107 HD2 TYR 14 HD2 TYR 14 7.164 6.266 13.433 108 HE1 TYR 14 HE1 TYR 14 5.360 10.834 12.814 109 HE2 TYR 14 HE2 TYR 14 5.816 6.798 11.432 110 HH TYR 14 HH TYR 14 4.754 8.384 10.297 111 H GLU 15 H GLU 15 4.577 7.756 15.991 112 HA GLU 15 HA GLU 15 4.074 4.857 16.346 113 HB2 GLU 15 1HB GLU 15 2.509 6.427 17.422 114 HB3 GLU 15 2HB GLU 15 2.172 7.187 15.872 115 HG2 GLU 15 1HG GLU 15 1.223 5.057 15.049 116 HG3 GLU 15 2HG GLU 15 1.528 4.328 16.624 117 H VAL 16 H VAL 16 4.095 3.506 14.709 118 HA VAL 16 HA VAL 16 3.538 4.594 11.983 119 HB VAL 16 HB VAL 16 4.969 2.024 12.788 120 HG11 VAL 16 1HG1 VAL 16 5.537 1.845 10.415 121 HG12 VAL 16 2HG1 VAL 16 3.779 1.784 10.686 122 HG13 VAL 16 3HG1 VAL 16 4.534 3.273 10.068 123 HG21 VAL 16 1HG2 VAL 16 6.986 3.173 11.930 124 HG22 VAL 16 2HG2 VAL 16 6.021 4.641 11.637 125 HG23 VAL 16 3HG2 VAL 16 6.273 4.059 13.299 126 H LYS 17 H LYS 17 1.707 4.059 11.022 127 HA LYS 17 HA LYS 17 -0.007 2.026 12.327 128 HB2 LYS 17 1HB LYS 17 -0.938 4.284 11.829 129 HB3 LYS 17 2HB LYS 17 -0.646 4.020 10.116 130 HG2 LYS 17 1HG LYS 17 -2.232 2.146 10.110 131 HG3 LYS 17 2HG LYS 17 -2.502 2.360 11.846 132 HD2 LYS 17 1HD LYS 17 -3.366 4.633 11.448 133 HD3 LYS 17 2HD LYS 17 -3.061 4.455 9.715 134 HE2 LYS 17 1HE LYS 17 -4.636 2.524 9.663 135 HE3 LYS 17 2HE LYS 17 -4.975 2.776 11.377 136 HZ1 LYS 17 1HZ LYS 17 -6.621 3.807 9.991 137 HZ2 LYS 17 2HZ LYS 17 -5.798 4.963 10.833 138 HZ3 LYS 17 3HZ LYS 17 -5.483 4.727 9.231 139 H VAL 18 H VAL 18 -0.539 0.123 11.490 140 HA VAL 18 HA VAL 18 0.246 -0.391 8.651 141 HB VAL 18 HB VAL 18 1.688 -1.668 10.157 142 HG11 VAL 18 1HG1 VAL 18 0.779 -3.290 11.748 143 HG12 VAL 18 2HG1 VAL 18 0.292 -1.624 12.143 144 HG13 VAL 18 3HG1 VAL 18 -0.869 -2.732 11.374 145 HG21 VAL 18 1HG2 VAL 18 1.140 -3.954 9.385 146 HG22 VAL 18 2HG2 VAL 18 -0.493 -3.410 8.936 147 HG23 VAL 18 3HG2 VAL 18 0.927 -2.766 8.078 148 H ASN 19 H ASN 19 -1.264 -1.165 7.312 149 HA ASN 19 HA ASN 19 -4.002 -1.427 8.353 150 HB2 ASN 19 1HB ASN 19 -2.850 -1.518 5.547 151 HB3 ASN 19 2HB ASN 19 -4.559 -1.725 5.909 152 HD21 ASN 19 1HD2 ASN 19 -3.317 1.890 5.249 153 HD22 ASN 19 2HD2 ASN 19 -2.697 0.405 4.608 154 HA PRO 20 HA PRO 20 -4.283 -5.711 8.825 155 HB2 PRO 20 1HB PRO 20 -6.836 -5.402 7.187 156 HB3 PRO 20 2HB PRO 20 -6.589 -6.289 8.697 157 HG2 PRO 20 1HG PRO 20 -7.749 -3.908 8.836 158 HG3 PRO 20 2HG PRO 20 -6.494 -4.301 10.013 159 HD2 PRO 20 1HD PRO 20 -6.299 -2.605 7.495 160 HD3 PRO 20 2HD PRO 20 -5.582 -2.307 9.130 161 H GLY 21 H GLY 21 -3.392 -7.356 7.697 162 HA2 GLY 21 1HA GLY 21 -3.379 -8.900 5.862 163 HA3 GLY 21 2HA GLY 21 -4.026 -7.655 4.810 164 H THR 22 H THR 22 -2.019 -5.682 5.997 165 HA THR 22 HA THR 22 -0.138 -6.174 3.800 166 HB THR 22 HB THR 22 0.604 -3.877 4.166 167 HG1 THR 22 HG1 THR 22 -0.144 -2.705 5.946 168 HG21 THR 22 1HG2 THR 22 -1.533 -2.686 3.878 169 HG22 THR 22 2HG2 THR 22 -1.516 -4.199 2.941 170 HG23 THR 22 3HG2 THR 22 -2.413 -4.112 4.475 171 H ARG 23 H ARG 23 2.189 -5.728 4.068 172 HA ARG 23 HA ARG 23 3.162 -6.620 6.752 173 HB2 ARG 23 1HB ARG 23 3.582 -8.350 5.092 174 HB3 ARG 23 2HB ARG 23 4.315 -7.186 4.000 175 HG2 ARG 23 1HG ARG 23 6.115 -6.813 5.704 176 HG3 ARG 23 2HG ARG 23 5.407 -8.141 6.654 177 HD2 ARG 23 1HD ARG 23 6.280 -8.406 3.791 178 HD3 ARG 23 2HD ARG 23 7.314 -8.772 5.189 179 HE ARG 23 HE ARG 23 5.057 -10.231 5.671 180 HH11 ARG 23 1HH1 ARG 23 7.251 -9.964 2.940 181 HH12 ARG 23 2HH1 ARG 23 7.007 -11.615 2.420 182 HH21 ARG 23 1HH2 ARG 23 4.747 -12.375 4.986 183 HH22 ARG 23 2HH2 ARG 23 5.588 -12.982 3.577 184 H VAL 24 H VAL 24 4.695 -5.447 7.742 185 HA VAL 24 HA VAL 24 5.668 -3.035 6.266 186 HB VAL 24 HB VAL 24 5.049 -3.391 9.230 187 HG11 VAL 24 1HG1 VAL 24 5.642 -1.028 9.463 188 HG12 VAL 24 2HG1 VAL 24 7.027 -2.014 8.940 189 HG13 VAL 24 3HG1 VAL 24 6.166 -0.993 7.763 190 HG21 VAL 24 1HG2 VAL 24 3.338 -1.658 8.786 191 HG22 VAL 24 2HG2 VAL 24 3.794 -1.651 7.066 192 HG23 VAL 24 3HG2 VAL 24 3.063 -3.105 7.786 193 H GLU 25 H GLU 25 7.798 -2.674 6.147 194 HA GLU 25 HA GLU 25 9.539 -4.001 8.174 195 HB2 GLU 25 1HB GLU 25 9.733 -5.216 6.014 196 HB3 GLU 25 2HB GLU 25 10.153 -3.714 5.203 197 HG2 GLU 25 1HG GLU 25 12.189 -3.534 6.556 198 HG3 GLU 25 2HG GLU 25 11.764 -5.016 7.408 199 H ILE 26 H ILE 26 10.879 -2.692 9.201 200 HA ILE 26 HA ILE 26 11.324 0.020 8.030 201 HB ILE 26 HB ILE 26 10.810 -0.615 10.969 202 HG12 ILE 26 1HG1 ILE 26 9.028 0.811 8.980 203 HG13 ILE 26 2HG1 ILE 26 8.803 -0.844 9.522 204 HG21 ILE 26 1HG2 ILE 26 10.779 1.834 11.224 205 HG22 ILE 26 2HG2 ILE 26 12.353 1.276 10.612 206 HG23 ILE 26 3HG2 ILE 26 11.183 2.023 9.501 207 HD11 ILE 26 1HD1 ILE 26 7.341 0.679 10.728 208 HD12 ILE 26 2HD1 ILE 26 8.521 -0.064 11.834 209 HD13 ILE 26 3HD1 ILE 26 8.747 1.614 11.286 210 H GLN 27 H GLN 27 13.368 0.558 7.804 211 HA GLN 27 HA GLN 27 15.404 -0.986 9.332 212 HB2 GLN 27 1HB GLN 27 15.577 -0.992 6.842 213 HB3 GLN 27 2HB GLN 27 15.737 0.758 6.859 214 HG2 GLN 27 1HG GLN 27 17.821 0.582 8.123 215 HG3 GLN 27 2HG GLN 27 17.654 -1.196 8.146 216 HE21 GLN 27 1HE2 GLN 27 19.679 -1.321 5.320 217 HE22 GLN 27 2HE2 GLN 27 19.428 -1.764 6.976 218 H ALA 28 H ALA 28 16.701 -0.084 10.785 219 HA ALA 28 HA ALA 28 16.272 2.817 11.298 220 HB1 ALA 28 1HB ALA 28 17.035 2.322 13.598 221 HB2 ALA 28 2HB ALA 28 15.631 1.328 13.140 222 HB3 ALA 28 3HB ALA 28 17.261 0.616 13.146 223 H LYS 29 H LYS 29 17.852 4.240 11.077 224 HA LYS 29 HA LYS 29 20.604 3.266 10.606 225 HB2 LYS 29 1HB LYS 29 19.452 6.083 10.538 226 HB3 LYS 29 2HB LYS 29 21.097 5.646 10.101 227 HG2 LYS 29 1HG LYS 29 18.615 4.626 8.688 228 HG3 LYS 29 2HG LYS 29 19.610 5.986 8.149 229 HD2 LYS 29 1HD LYS 29 21.573 4.475 7.991 230 HD3 LYS 29 2HD LYS 29 20.557 3.118 8.499 231 HE2 LYS 29 1HE LYS 29 19.149 3.381 6.515 232 HE3 LYS 29 2HE LYS 29 20.059 4.813 6.025 233 HZ1 LYS 29 1HZ LYS 29 20.773 2.867 4.846 234 HZ2 LYS 29 2HZ LYS 29 22.003 3.427 5.793 235 HZ3 LYS 29 3HZ LYS 29 21.152 2.089 6.250 236 H GLY 30 H GLY 30 20.412 2.435 12.942 237 HA2 GLY 30 1HA GLY 30 22.097 3.414 14.750 238 HA3 GLY 30 2HA GLY 30 20.815 4.592 14.950 239 HA PRO 31 HA PRO 31 20.243 0.478 17.404 240 HB2 PRO 31 1HB PRO 31 20.736 2.506 19.623 241 HB3 PRO 31 2HB PRO 31 21.127 0.782 19.589 242 HG2 PRO 31 1HG PRO 31 23.094 2.515 19.161 243 HG3 PRO 31 2HG PRO 31 22.985 1.088 18.126 244 HD2 PRO 31 1HD PRO 31 22.097 3.943 17.555 245 HD3 PRO 31 2HD PRO 31 22.958 2.779 16.471 246 H ALA 32 H ALA 32 18.158 0.048 17.901 247 HA ALA 32 HA ALA 32 16.351 2.103 18.914 248 HB1 ALA 32 1HB ALA 32 14.815 2.022 16.977 249 HB2 ALA 32 2HB ALA 32 16.399 2.701 16.535 250 HB3 ALA 32 3HB ALA 32 15.994 1.026 16.093 251 H GLU 33 H GLU 33 14.212 1.299 19.378 252 HA GLU 33 HA GLU 33 14.043 -1.685 19.314 253 HB2 GLU 33 1HB GLU 33 12.822 0.260 21.315 254 HB3 GLU 33 2HB GLU 33 12.512 -1.470 21.282 255 HG2 GLU 33 1HG GLU 33 14.930 -1.884 21.672 256 HG3 GLU 33 2HG GLU 33 15.184 -0.144 21.785 257 H PHE 34 H PHE 34 12.159 -2.652 18.658 258 HA PHE 34 HA PHE 34 10.012 -0.806 17.694 259 HB2 PHE 34 1HB PHE 34 10.914 -3.451 16.482 260 HB3 PHE 34 2HB PHE 34 9.505 -2.543 15.962 261 HD1 PHE 34 HD1 PHE 34 13.200 -2.326 16.314 262 HD2 PHE 34 HD2 PHE 34 9.694 -0.820 14.392 263 HE1 PHE 34 HE1 PHE 34 14.614 -1.026 14.758 264 HE2 PHE 34 HE2 PHE 34 11.106 0.479 12.831 265 HZ PHE 34 HZ PHE 34 13.566 0.377 13.017 266 H GLU 35 H GLU 35 8.023 -1.132 18.429 267 HA GLU 35 HA GLU 35 7.465 -3.722 19.809 268 HB2 GLU 35 1HB GLU 35 7.824 -1.937 21.481 269 HB3 GLU 35 2HB GLU 35 6.615 -0.934 20.693 270 HG2 GLU 35 1HG GLU 35 4.876 -2.575 21.230 271 HG3 GLU 35 2HG GLU 35 6.079 -3.619 21.983 272 H GLY 36 H GLY 36 5.663 -4.742 19.243 273 HA2 GLY 36 1HA GLY 36 3.214 -3.392 18.610 274 HA3 GLY 36 2HA GLY 36 3.973 -3.922 17.121 275 H GLY 37 H GLY 37 1.483 -4.807 18.518 276 HA2 GLY 37 1HA GLY 37 0.346 -6.845 18.575 277 HA3 GLY 37 2HA GLY 37 1.816 -7.659 18.073 278 H GLY 38 H GLY 38 2.378 -5.617 20.725 279 HA2 GLY 38 1HA GLY 38 2.289 -6.038 23.072 280 HA3 GLY 38 2HA GLY 38 1.770 -7.685 22.760 281 H THR 39 H THR 39 4.192 -7.174 20.597 282 HA THR 39 HA THR 39 6.234 -8.275 22.483 283 HB THR 39 HB THR 39 5.882 -8.805 19.500 284 HG1 THR 39 HG1 THR 39 4.437 -10.042 20.620 285 HG21 THR 39 1HG2 THR 39 7.735 -10.404 19.796 286 HG22 THR 39 2HG2 THR 39 8.261 -8.745 20.168 287 HG23 THR 39 3HG2 THR 39 7.916 -9.887 21.488 288 H ARG 40 H ARG 40 8.182 -7.364 22.630 289 HA ARG 40 HA ARG 40 8.799 -5.170 20.693 290 HB2 ARG 40 1HB ARG 40 8.312 -4.359 23.001 291 HB3 ARG 40 2HB ARG 40 9.626 -5.354 23.612 292 HG2 ARG 40 1HG ARG 40 11.193 -4.057 22.129 293 HG3 ARG 40 2HG ARG 40 9.832 -2.968 21.769 294 HD2 ARG 40 1HD ARG 40 10.855 -3.586 24.529 295 HD3 ARG 40 2HD ARG 40 11.307 -2.162 23.563 296 HE ARG 40 HE ARG 40 8.446 -2.501 23.883 297 HH11 ARG 40 1HH1 ARG 40 11.379 -1.183 25.300 298 HH12 ARG 40 2HH1 ARG 40 10.531 0.022 26.244 299 HH21 ARG 40 1HH2 ARG 40 7.358 -0.932 25.113 300 HH22 ARG 40 2HH2 ARG 40 8.255 0.166 26.139 301 H THR 41 H THR 41 10.727 -5.178 19.700 302 HA THR 41 HA THR 41 12.804 -7.060 20.720 303 HB THR 41 HB THR 41 12.048 -6.675 17.789 304 HG1 THR 41 HG1 THR 41 11.583 -8.726 19.697 305 HG21 THR 41 1HG2 THR 41 13.724 -8.434 17.382 306 HG22 THR 41 2HG2 THR 41 14.471 -7.005 18.136 307 HG23 THR 41 3HG2 THR 41 14.132 -8.453 19.113 308 H ARG 42 H ARG 42 14.811 -6.292 20.823 309 HA ARG 42 HA ARG 42 15.248 -3.488 20.032 310 HB2 ARG 42 1HB ARG 42 16.037 -4.297 22.231 311 HB3 ARG 42 2HB ARG 42 17.076 -5.469 21.437 312 HG2 ARG 42 1HG ARG 42 18.448 -3.725 20.500 313 HG3 ARG 42 2HG ARG 42 17.327 -2.472 21.088 314 HD2 ARG 42 1HD ARG 42 18.754 -4.411 22.886 315 HD3 ARG 42 2HD ARG 42 19.386 -2.806 22.451 316 HE ARG 42 HE ARG 42 16.768 -2.451 23.390 317 HH11 ARG 42 1HH1 ARG 42 19.876 -3.551 24.603 318 HH12 ARG 42 2HH1 ARG 42 19.561 -3.029 26.244 319 HH21 ARG 42 1HH2 ARG 42 16.370 -1.779 25.521 320 HH22 ARG 42 2HH2 ARG 42 17.577 -2.026 26.765 321 H LEU 43 H LEU 43 16.274 -2.826 18.274 322 HA LEU 43 HA LEU 43 17.457 -4.942 16.537 323 HB2 LEU 43 1HB LEU 43 15.981 -2.378 16.000 324 HB3 LEU 43 2HB LEU 43 17.136 -2.969 14.801 325 HG LEU 43 HG LEU 43 14.711 -3.593 14.414 326 HD11 LEU 43 1HD1 LEU 43 15.277 -5.873 13.704 327 HD12 LEU 43 2HD1 LEU 43 16.576 -4.721 13.314 328 HD13 LEU 43 3HD1 LEU 43 16.748 -5.820 14.704 329 HD21 LEU 43 1HD2 LEU 43 13.851 -5.497 15.736 330 HD22 LEU 43 2HD2 LEU 43 15.303 -5.439 16.765 331 HD23 LEU 43 3HD2 LEU 43 14.151 -4.082 16.773 332 H ASN 44 H ASN 44 19.444 -4.693 15.581 333 HA ASN 44 HA ASN 44 21.172 -2.549 16.645 334 HB2 ASN 44 1HB ASN 44 21.755 -4.870 14.774 335 HB3 ASN 44 2HB ASN 44 22.955 -3.723 15.355 336 HD21 ASN 44 1HD2 ASN 44 22.358 -6.948 17.460 337 HD22 ASN 44 2HD2 ASN 44 22.115 -6.730 15.758 338 HA PRO 45 HA PRO 45 20.980 0.249 13.326 339 HB2 PRO 45 1HB PRO 45 23.709 0.732 12.905 340 HB3 PRO 45 2HB PRO 45 22.740 1.500 14.170 341 HG2 PRO 45 1HG PRO 45 24.501 -0.980 14.348 342 HG3 PRO 45 2HG PRO 45 24.432 0.397 15.453 343 HD2 PRO 45 1HD PRO 45 23.124 -1.845 16.097 344 HD3 PRO 45 2HD PRO 45 22.314 -0.248 16.353 345 H GLY 46 H GLY 46 20.704 -0.065 11.187 346 HA2 GLY 46 1HA GLY 46 21.452 -0.744 8.993 347 HA3 GLY 46 2HA GLY 46 22.500 -1.943 9.729 348 H GLU 47 H GLU 47 20.323 -2.770 11.630 349 HA GLU 47 HA GLU 47 19.187 -4.809 9.874 350 HB2 GLU 47 1HB GLU 47 18.844 -4.286 12.854 351 HB3 GLU 47 2HB GLU 47 18.188 -5.678 12.005 352 HG2 GLU 47 1HG GLU 47 20.452 -6.412 11.421 353 HG3 GLU 47 2HG GLU 47 21.128 -4.998 12.228 354 H SER 48 H SER 48 16.937 -5.341 9.755 355 HA SER 48 HA SER 48 15.178 -2.946 10.085 356 HB2 SER 48 1HB SER 48 13.855 -3.797 8.223 357 HB3 SER 48 2HB SER 48 15.528 -3.586 7.732 358 HG SER 48 HG SER 48 14.427 -5.590 7.171 359 H TYR 49 H TYR 49 13.057 -3.242 10.811 360 HA TYR 49 HA TYR 49 12.570 -5.874 12.137 361 HB2 TYR 49 1HB TYR 49 12.644 -4.026 13.732 362 HB3 TYR 49 2HB TYR 49 11.495 -3.099 12.777 363 HD1 TYR 49 HD1 TYR 49 11.873 -6.227 14.761 364 HD2 TYR 49 HD2 TYR 49 9.184 -3.330 13.092 365 HE1 TYR 49 HE1 TYR 49 10.007 -7.223 16.039 366 HE2 TYR 49 HE2 TYR 49 7.318 -4.325 14.372 367 HH TYR 49 HH TYR 49 7.835 -7.130 16.500 368 H LYS 50 H LYS 50 10.906 -7.097 11.581 369 HA LYS 50 HA LYS 50 9.092 -5.997 9.480 370 HB2 LYS 50 1HB LYS 50 9.956 -8.857 10.064 371 HB3 LYS 50 2HB LYS 50 8.724 -8.422 8.888 372 HG2 LYS 50 1HG LYS 50 10.403 -7.112 7.622 373 HG3 LYS 50 2HG LYS 50 11.639 -7.595 8.793 374 HD2 LYS 50 1HD LYS 50 11.249 -9.970 8.234 375 HD3 LYS 50 2HD LYS 50 10.003 -9.494 7.072 376 HE2 LYS 50 1HE LYS 50 11.684 -8.236 5.774 377 HE3 LYS 50 2HE LYS 50 12.931 -8.687 6.938 378 HZ1 LYS 50 1HZ LYS 50 12.958 -10.107 5.022 379 HZ2 LYS 50 2HZ LYS 50 12.557 -10.986 6.361 380 HZ3 LYS 50 3HZ LYS 50 11.393 -10.563 5.271 381 H PHE 51 H PHE 51 6.918 -6.171 9.629 382 HA PHE 51 HA PHE 51 5.753 -7.674 11.889 383 HB2 PHE 51 1HB PHE 51 6.242 -5.369 12.761 384 HB3 PHE 51 2HB PHE 51 5.213 -4.702 11.503 385 HD1 PHE 51 HD1 PHE 51 5.272 -6.743 14.573 386 HD2 PHE 51 HD2 PHE 51 2.831 -4.784 11.665 387 HE1 PHE 51 HE1 PHE 51 3.301 -7.023 16.040 388 HE2 PHE 51 HE2 PHE 51 0.859 -5.059 13.131 389 HZ PHE 51 HZ PHE 51 1.095 -6.181 15.319 390 H GLU 52 H GLU 52 3.855 -8.569 11.399 391 HA GLU 52 HA GLU 52 2.437 -7.530 8.981 392 HB2 GLU 52 1HB GLU 52 2.558 -10.354 10.109 393 HB3 GLU 52 2HB GLU 52 1.470 -9.858 8.821 394 HG2 GLU 52 1HG GLU 52 3.414 -9.253 7.423 395 HG3 GLU 52 2HG GLU 52 4.493 -9.779 8.712 396 H ASN 53 H ASN 53 0.284 -7.124 9.068 397 HA ASN 53 HA ASN 53 -0.984 -7.323 11.754 398 HB2 ASN 53 1HB ASN 53 -0.985 -5.113 10.622 399 HB3 ASN 53 2HB ASN 53 -1.884 -5.809 9.281 400 HD21 ASN 53 1HD2 ASN 53 -4.190 -4.131 11.690 401 HD22 ASN 53 2HD2 ASN 53 -2.759 -3.645 10.845 402 H LEU 54 H LEU 54 -1.747 -9.321 12.013 403 HA LEU 54 HA LEU 54 -3.178 -10.576 9.730 404 HB2 LEU 54 1HB LEU 54 -2.203 -11.794 12.338 405 HB3 LEU 54 2HB LEU 54 -2.924 -12.673 10.988 406 HG LEU 54 HG LEU 54 -0.257 -11.218 10.950 407 HD11 LEU 54 1HD1 LEU 54 0.665 -13.486 10.771 408 HD12 LEU 54 2HD1 LEU 54 -0.245 -13.264 12.283 409 HD13 LEU 54 3HD1 LEU 54 -0.971 -14.164 10.931 410 HD21 LEU 54 1HD2 LEU 54 -0.026 -12.233 8.709 411 HD22 LEU 54 2HD2 LEU 54 -1.674 -12.896 8.838 412 HD23 LEU 54 3HD2 LEU 54 -1.425 -11.135 8.773 413 H THR 55 H THR 55 -4.245 -8.444 11.584 414 HA THR 55 HA THR 55 -6.482 -10.010 12.799 415 HB THR 55 HB THR 55 -6.759 -8.291 14.426 416 HG1 THR 55 HG1 THR 55 -5.004 -6.746 12.786 417 HG21 THR 55 1HG2 THR 55 -4.530 -8.084 15.456 418 HG22 THR 55 2HG2 THR 55 -4.793 -9.731 14.835 419 HG23 THR 55 3HG2 THR 55 -3.772 -8.590 13.929 420 H SER 56 H SER 56 -8.429 -8.296 13.137 421 HA SER 56 HA SER 56 -9.132 -7.496 10.363 422 HB2 SER 56 1HB SER 56 -11.437 -7.478 11.158 423 HB3 SER 56 2HB SER 56 -10.672 -9.012 11.544 424 HG SER 56 HG SER 56 -11.365 -8.579 13.429 425 H GLN 57 H GLN 57 -7.570 -6.058 12.737 426 HA GLN 57 HA GLN 57 -8.859 -3.428 12.208 427 HB2 GLN 57 1HB GLN 57 -8.059 -4.524 14.929 428 HB3 GLN 57 2HB GLN 57 -8.363 -2.819 14.627 429 HG2 GLN 57 1HG GLN 57 -10.408 -4.962 14.045 430 HG3 GLN 57 2HG GLN 57 -10.263 -4.137 15.623 431 HE21 GLN 57 1HE2 GLN 57 -11.861 -2.237 12.353 432 HE22 GLN 57 2HE2 GLN 57 -11.007 -3.735 12.187 433 HA PRO 58 HA PRO 58 -4.834 -1.957 11.337 434 HB2 PRO 58 1HB PRO 58 -5.744 0.462 12.937 435 HB3 PRO 58 2HB PRO 58 -4.988 0.406 11.339 436 HG2 PRO 58 1HG PRO 58 -7.609 0.825 11.468 437 HG3 PRO 58 2HG PRO 58 -6.992 -0.309 10.262 438 HD2 PRO 58 1HD PRO 58 -8.247 -0.893 12.977 439 HD3 PRO 58 2HD PRO 58 -8.547 -1.703 11.386 440 H LEU 59 H LEU 59 -2.868 -1.966 12.367 441 HA LEU 59 HA LEU 59 -2.900 -1.902 15.356 442 HB2 LEU 59 1HB LEU 59 -1.115 -3.542 13.521 443 HB3 LEU 59 2HB LEU 59 -0.970 -3.460 15.279 444 HG LEU 59 HG LEU 59 -3.374 -4.564 13.780 445 HD11 LEU 59 1HD1 LEU 59 -2.540 -6.748 14.530 446 HD12 LEU 59 2HD1 LEU 59 -1.378 -5.934 13.457 447 HD13 LEU 59 3HD1 LEU 59 -1.097 -5.963 15.214 448 HD21 LEU 59 1HD2 LEU 59 -4.024 -5.379 16.022 449 HD22 LEU 59 2HD2 LEU 59 -2.602 -4.574 16.728 450 HD23 LEU 59 3HD2 LEU 59 -3.902 -3.603 15.996 451 H ARG 60 H ARG 60 -0.600 -1.509 16.225 452 HA ARG 60 HA ARG 60 0.599 0.721 14.633 453 HB2 ARG 60 1HB ARG 60 0.153 0.568 17.634 454 HB3 ARG 60 2HB ARG 60 1.092 1.816 16.830 455 HG2 ARG 60 1HG ARG 60 -0.918 2.538 15.600 456 HG3 ARG 60 2HG ARG 60 -1.865 1.288 16.442 457 HD2 ARG 60 1HD ARG 60 -0.298 3.417 17.867 458 HD3 ARG 60 2HD ARG 60 -2.001 3.599 17.386 459 HE ARG 60 HE ARG 60 -1.914 1.214 18.762 460 HH11 ARG 60 1HH1 ARG 60 -1.031 4.542 19.463 461 HH12 ARG 60 2HH1 ARG 60 -1.362 4.401 21.175 462 HH21 ARG 60 1HH2 ARG 60 -2.341 1.044 20.987 463 HH22 ARG 60 2HH2 ARG 60 -2.104 2.422 22.039 464 H ILE 61 H ILE 61 2.798 0.858 14.539 465 HA ILE 61 HA ILE 61 4.328 -0.946 16.369 466 HB ILE 61 HB ILE 61 5.170 0.065 13.618 467 HG12 ILE 61 1HG1 ILE 61 5.132 -2.644 13.448 468 HG13 ILE 61 2HG1 ILE 61 3.772 -2.377 14.528 469 HG21 ILE 61 1HG2 ILE 61 7.080 -1.459 13.920 470 HG22 ILE 61 2HG2 ILE 61 7.055 -0.207 15.183 471 HG23 ILE 61 3HG2 ILE 61 6.507 -1.858 15.557 472 HD11 ILE 61 1HD1 ILE 61 3.049 -2.452 12.208 473 HD12 ILE 61 2HD1 ILE 61 2.766 -0.837 12.901 474 HD13 ILE 61 3HD1 ILE 61 4.142 -1.108 11.805 475 H ARG 62 H ARG 62 5.526 0.006 17.845 476 HA ARG 62 HA ARG 62 5.832 2.939 17.718 477 HB2 ARG 62 1HB ARG 62 6.505 0.951 19.914 478 HB3 ARG 62 2HB ARG 62 6.651 2.695 20.053 479 HG2 ARG 62 1HG ARG 62 4.273 2.986 19.884 480 HG3 ARG 62 2HG ARG 62 4.043 1.266 19.486 481 HD2 ARG 62 1HD ARG 62 3.488 1.531 21.752 482 HD3 ARG 62 2HD ARG 62 5.080 0.739 21.704 483 HE ARG 62 HE ARG 62 5.342 3.585 21.874 484 HH11 ARG 62 1HH1 ARG 62 4.584 0.726 23.771 485 HH12 ARG 62 2HH1 ARG 62 5.121 1.432 25.280 486 HH21 ARG 62 1HH2 ARG 62 6.034 4.490 23.839 487 HH22 ARG 62 2HH2 ARG 62 5.943 3.563 25.318 488 H LEU 63 H LEU 63 7.652 3.975 17.233 489 HA LEU 63 HA LEU 63 10.179 2.412 17.109 490 HB2 LEU 63 1HB LEU 63 9.676 5.261 16.191 491 HB3 LEU 63 2HB LEU 63 11.080 4.252 15.827 492 HG LEU 63 HG LEU 63 8.250 3.812 14.813 493 HD11 LEU 63 1HD1 LEU 63 9.232 4.395 12.641 494 HD12 LEU 63 2HD1 LEU 63 9.371 5.733 13.806 495 HD13 LEU 63 3HD1 LEU 63 10.790 4.724 13.434 496 HD21 LEU 63 1HD2 LEU 63 9.286 2.023 13.459 497 HD22 LEU 63 2HD2 LEU 63 10.847 2.318 14.264 498 HD23 LEU 63 3HD2 LEU 63 9.467 1.695 15.200 499 H ARG 64 H ARG 64 11.867 2.760 18.425 500 HA ARG 64 HA ARG 64 11.721 5.114 20.255 501 HB2 ARG 64 1HB ARG 64 11.077 3.056 21.477 502 HB3 ARG 64 2HB ARG 64 12.594 2.303 21.011 503 HG2 ARG 64 1HG ARG 64 13.818 4.072 22.262 504 HG3 ARG 64 2HG ARG 64 12.249 4.717 22.804 505 HD2 ARG 64 1HD ARG 64 11.743 2.502 23.771 506 HD3 ARG 64 2HD ARG 64 13.393 1.988 23.346 507 HE ARG 64 HE ARG 64 13.342 4.429 24.885 508 HH11 ARG 64 1HH1 ARG 64 13.203 0.924 25.085 509 HH12 ARG 64 2HH1 ARG 64 13.815 0.869 26.723 510 HH21 ARG 64 1HH2 ARG 64 14.135 4.345 27.011 511 HH22 ARG 64 2HH2 ARG 64 14.342 2.804 27.815 512 H ASN 65 H ASN 65 13.467 6.345 20.235 513 HA ASN 65 HA ASN 65 15.874 5.353 18.828 514 HB2 ASN 65 1HB ASN 65 14.941 7.568 18.235 515 HB3 ASN 65 2HB ASN 65 15.196 8.118 19.885 516 HD21 ASN 65 1HD2 ASN 65 18.019 9.221 17.733 517 HD22 ASN 65 2HD2 ASN 65 16.297 9.396 17.682 518 H LEU 66 H LEU 66 17.352 4.315 19.918 519 HA LEU 66 HA LEU 66 17.451 4.566 22.834 520 HB2 LEU 66 1HB LEU 66 19.008 2.862 20.860 521 HB3 LEU 66 2HB LEU 66 19.227 2.790 22.610 522 HG LEU 66 HG LEU 66 16.660 2.120 21.126 523 HD11 LEU 66 1HD1 LEU 66 17.194 -0.189 21.765 524 HD12 LEU 66 2HD1 LEU 66 18.447 0.508 20.712 525 HD13 LEU 66 3HD1 LEU 66 18.737 0.360 22.462 526 HD21 LEU 66 1HD2 LEU 66 15.924 1.298 23.339 527 HD22 LEU 66 2HD2 LEU 66 17.449 1.869 24.058 528 HD23 LEU 66 3HD2 LEU 66 16.288 3.041 23.390 529 H SER 67 H SER 67 18.967 6.103 20.202 530 HA SER 67 HA SER 67 21.644 6.111 21.452 531 HB2 SER 67 1HB SER 67 22.473 6.749 19.357 532 HB3 SER 67 2HB SER 67 21.152 5.661 18.962 533 HG SER 67 HG SER 67 19.837 7.569 18.821 534 H ASP 68 H ASP 68 22.855 8.322 20.887 535 HA ASP 68 HA ASP 68 21.371 10.364 22.431 536 HB2 ASP 68 1HB ASP 68 24.279 10.185 21.552 537 HB3 ASP 68 2HB ASP 68 23.605 11.538 22.451 538 H THR 69 H THR 69 21.564 9.539 19.275 539 HA THR 69 HA THR 69 21.201 12.375 18.425 540 HB THR 69 HB THR 69 22.341 11.898 16.295 541 HG1 THR 69 HG1 THR 69 21.865 9.533 16.502 542 HG21 THR 69 1HG2 THR 69 24.642 11.691 17.147 543 HG22 THR 69 2HG2 THR 69 23.679 12.776 18.177 544 HG23 THR 69 3HG2 THR 69 24.018 11.113 18.709 545 HA PRO 70 HA PRO 70 17.447 11.208 16.534 546 HB2 PRO 70 1HB PRO 70 18.543 12.654 14.091 547 HB3 PRO 70 2HB PRO 70 16.963 12.822 14.866 548 HG2 PRO 70 1HG PRO 70 18.785 14.696 15.332 549 HG3 PRO 70 2HG PRO 70 17.835 14.084 16.691 550 HD2 PRO 70 1HD PRO 70 20.673 13.358 15.854 551 HD3 PRO 70 2HD PRO 70 20.022 13.685 17.510 552 H ILE 71 H ILE 71 16.752 9.478 15.354 553 HA ILE 71 HA ILE 71 18.748 8.179 13.549 554 HB ILE 71 HB ILE 71 16.640 6.943 15.362 555 HG12 ILE 71 1HG1 ILE 71 19.643 6.579 15.230 556 HG13 ILE 71 2HG1 ILE 71 18.797 7.590 16.392 557 HG21 ILE 71 1HG2 ILE 71 17.333 4.774 14.426 558 HG22 ILE 71 2HG2 ILE 71 16.616 5.812 13.172 559 HG23 ILE 71 3HG2 ILE 71 18.381 5.609 13.256 560 HD11 ILE 71 1HD1 ILE 71 19.389 5.442 17.366 561 HD12 ILE 71 2HD1 ILE 71 17.620 5.619 17.269 562 HD13 ILE 71 3HD1 ILE 71 18.479 4.595 16.094 563 H GLU 72 H GLU 72 18.223 7.843 11.500 564 HA GLU 72 HA GLU 72 15.551 8.592 10.558 565 HB2 GLU 72 1HB GLU 72 18.004 7.535 9.098 566 HB3 GLU 72 2HB GLU 72 16.509 8.010 8.304 567 HG2 GLU 72 1HG GLU 72 16.782 10.304 9.133 568 HG3 GLU 72 2HG GLU 72 18.268 9.835 9.956 569 H PHE 73 H PHE 73 13.911 7.300 10.072 570 HA PHE 73 HA PHE 73 14.455 4.361 9.992 571 HB2 PHE 73 1HB PHE 73 12.012 5.852 11.022 572 HB3 PHE 73 2HB PHE 73 12.054 4.116 10.756 573 HD1 PHE 73 HD1 PHE 73 13.495 6.879 12.745 574 HD2 PHE 73 HD2 PHE 73 13.091 2.649 12.306 575 HE1 PHE 73 HE1 PHE 73 14.426 6.556 15.012 576 HE2 PHE 73 HE2 PHE 73 14.019 2.322 14.574 577 HZ PHE 73 HZ PHE 73 14.688 4.278 15.927 578 H ARG 74 H ARG 74 14.198 3.489 8.073 579 HA ARG 74 HA ARG 74 12.517 4.872 6.067 580 HB2 ARG 74 1HB ARG 74 14.776 4.136 5.407 581 HB3 ARG 74 2HB ARG 74 14.367 2.475 5.809 582 HG2 ARG 74 1HG ARG 74 12.685 2.434 4.031 583 HG3 ARG 74 2HG ARG 74 13.054 4.130 3.637 584 HD2 ARG 74 1HD ARG 74 15.337 3.510 3.105 585 HD3 ARG 74 2HD ARG 74 14.972 1.815 3.503 586 HE ARG 74 HE ARG 74 13.118 2.740 1.571 587 HH11 ARG 74 1HH1 ARG 74 16.519 1.925 1.893 588 HH12 ARG 74 2HH1 ARG 74 16.695 1.458 0.215 589 HH21 ARG 74 1HH2 ARG 74 13.358 2.132 -0.604 590 HH22 ARG 74 2HH2 ARG 74 14.906 1.575 -1.198 591 H ILE 75 H ILE 75 10.469 4.323 5.775 592 HA ILE 75 HA ILE 75 9.596 1.745 7.002 593 HB ILE 75 HB ILE 75 8.079 4.371 6.692 594 HG12 ILE 75 1HG1 ILE 75 9.045 2.983 9.201 595 HG13 ILE 75 2HG1 ILE 75 9.886 4.313 8.423 596 HG21 ILE 75 1HG2 ILE 75 6.317 3.256 8.001 597 HG22 ILE 75 2HG2 ILE 75 6.597 2.414 6.459 598 HG23 ILE 75 3HG2 ILE 75 7.249 1.740 7.971 599 HD11 ILE 75 1HD1 ILE 75 8.539 5.098 10.288 600 HD12 ILE 75 2HD1 ILE 75 7.928 5.761 8.752 601 HD13 ILE 75 3HD1 ILE 75 7.076 4.412 9.543 602 H ARG 76 H ARG 76 8.922 0.238 5.670 603 HA ARG 76 HA ARG 76 7.577 1.107 3.146 604 HB2 ARG 76 1HB ARG 76 9.807 0.123 2.706 605 HB3 ARG 76 2HB ARG 76 9.334 -1.337 3.562 606 HG2 ARG 76 1HG ARG 76 7.651 -1.836 1.888 607 HG3 ARG 76 2HG ARG 76 7.992 -0.302 1.053 608 HD2 ARG 76 1HD ARG 76 9.098 -2.057 -0.097 609 HD3 ARG 76 2HD ARG 76 10.323 -1.074 0.737 610 HE ARG 76 HE ARG 76 10.785 -2.847 2.161 611 HH11 ARG 76 1HH1 ARG 76 8.042 -3.600 0.100 612 HH12 ARG 76 2HH1 ARG 76 8.059 -5.307 0.486 613 HH21 ARG 76 1HH2 ARG 76 10.799 -5.064 2.654 614 HH22 ARG 76 2HH2 ARG 76 9.619 -6.136 1.931 615 H GLU 77 H GLU 77 5.651 0.234 2.679 616 HA GLU 77 HA GLU 77 4.756 -2.099 4.310 617 HB2 GLU 77 1HB GLU 77 3.772 0.008 5.217 618 HB3 GLU 77 2HB GLU 77 3.086 0.359 3.637 619 HG2 GLU 77 1HG GLU 77 1.647 -1.571 3.760 620 HG3 GLU 77 2HG GLU 77 2.433 -2.124 5.236 621 H GLU 78 H GLU 78 3.782 -3.685 3.235 622 HA GLU 78 HA GLU 78 3.526 -3.338 0.303 623 HB2 GLU 78 1HB GLU 78 3.486 -5.824 2.061 624 HB3 GLU 78 2HB GLU 78 3.299 -5.841 0.313 625 HG2 GLU 78 1HG GLU 78 5.546 -4.827 0.081 626 HG3 GLU 78 2HG GLU 78 5.730 -4.876 1.833 Start of MODEL 9 1 H1 THR 1 1H THR 1 -0.326 1.934 2.761 2 H2 THR 1 2H THR 1 1.048 2.813 2.729 3 H3 THR 1 3H THR 1 -0.135 3.110 1.645 4 HA THR 1 HA THR 1 1.454 0.678 1.840 5 HB THR 1 HB THR 1 0.326 0.125 -0.361 6 HG1 THR 1 HG1 THR 1 -0.655 2.585 -0.017 7 HG21 THR 1 1HG2 THR 1 -1.763 -0.666 0.679 8 HG22 THR 1 2HG2 THR 1 -0.375 -0.928 1.761 9 HG23 THR 1 3HG2 THR 1 -1.493 0.423 2.059 10 H ARG 2 H ARG 2 3.047 2.661 1.929 11 HA ARG 2 HA ARG 2 4.289 2.629 -0.704 12 HB2 ARG 2 1HB ARG 2 4.419 5.034 -1.024 13 HB3 ARG 2 2HB ARG 2 2.735 4.536 -0.963 14 HG2 ARG 2 1HG ARG 2 2.608 5.305 1.388 15 HG3 ARG 2 2HG ARG 2 4.293 5.866 1.266 16 HD2 ARG 2 1HD ARG 2 3.664 7.354 -0.545 17 HD3 ARG 2 2HD ARG 2 1.981 6.792 -0.423 18 HE ARG 2 HE ARG 2 1.720 7.987 1.558 19 HH11 ARG 2 1HH1 ARG 2 5.032 8.175 0.403 20 HH12 ARG 2 2HH1 ARG 2 5.459 9.500 1.461 21 HH21 ARG 2 1HH2 ARG 2 2.286 9.708 2.927 22 HH22 ARG 2 2HH2 ARG 2 3.905 10.369 2.890 23 H GLU 3 H GLU 3 6.393 3.872 -0.674 24 HA GLU 3 HA GLU 3 7.829 3.192 1.762 25 HB2 GLU 3 1HB GLU 3 8.812 2.981 -0.534 26 HB3 GLU 3 2HB GLU 3 8.781 4.732 -0.687 27 HG2 GLU 3 1HG GLU 3 10.342 4.958 1.170 28 HG3 GLU 3 2HG GLU 3 10.325 3.215 1.427 29 H THR 4 H THR 4 8.270 4.406 3.457 30 HA THR 4 HA THR 4 8.014 7.362 3.185 31 HB THR 4 HB THR 4 6.775 7.507 5.290 32 HG1 THR 4 HG1 THR 4 6.284 4.770 5.426 33 HG21 THR 4 1HG2 THR 4 4.653 6.470 4.593 34 HG22 THR 4 2HG2 THR 4 5.468 7.240 3.212 35 HG23 THR 4 3HG2 THR 4 5.524 5.473 3.406 36 H LYS 5 H LYS 5 8.826 8.479 5.223 37 HA LYS 5 HA LYS 5 11.102 6.970 6.412 38 HB2 LYS 5 1HB LYS 5 12.014 8.289 4.542 39 HB3 LYS 5 2HB LYS 5 11.267 9.748 5.179 40 HG2 LYS 5 1HG LYS 5 12.690 9.621 7.182 41 HG3 LYS 5 2HG LYS 5 13.428 8.136 6.567 42 HD2 LYS 5 1HD LYS 5 14.270 9.347 4.595 43 HD3 LYS 5 2HD LYS 5 13.494 10.832 5.163 44 HE2 LYS 5 1HE LYS 5 14.894 10.769 7.211 45 HE3 LYS 5 2HE LYS 5 15.683 9.304 6.620 46 HZ1 LYS 5 1HZ LYS 5 16.972 11.253 6.143 47 HZ2 LYS 5 2HZ LYS 5 16.471 10.560 4.733 48 HZ3 LYS 5 3HZ LYS 5 15.735 11.928 5.286 49 H VAL 6 H VAL 6 11.517 7.358 8.502 50 HA VAL 6 HA VAL 6 9.980 9.571 9.794 51 HB VAL 6 HB VAL 6 10.384 6.724 10.806 52 HG11 VAL 6 1HG1 VAL 6 9.147 7.423 12.798 53 HG12 VAL 6 2HG1 VAL 6 10.689 8.297 12.629 54 HG13 VAL 6 3HG1 VAL 6 9.157 9.104 12.213 55 HG21 VAL 6 1HG2 VAL 6 7.910 6.679 10.779 56 HG22 VAL 6 2HG2 VAL 6 7.889 8.335 10.128 57 HG23 VAL 6 3HG2 VAL 6 8.565 7.006 9.157 58 H THR 7 H THR 7 11.095 10.854 11.130 59 HA THR 7 HA THR 7 13.779 9.896 12.034 60 HB THR 7 HB THR 7 12.809 12.758 11.629 61 HG1 THR 7 HG1 THR 7 14.731 11.166 10.233 62 HG21 THR 7 1HG2 THR 7 15.136 13.372 12.155 63 HG22 THR 7 2HG2 THR 7 14.371 12.541 13.531 64 HG23 THR 7 3HG2 THR 7 15.516 11.666 12.487 65 H VAL 8 H VAL 8 14.201 9.738 14.132 66 HA VAL 8 HA VAL 8 12.132 10.789 16.016 67 HB VAL 8 HB VAL 8 13.582 8.114 16.216 68 HG11 VAL 8 1HG1 VAL 8 12.054 7.684 18.078 69 HG12 VAL 8 2HG1 VAL 8 13.101 9.091 18.385 70 HG13 VAL 8 3HG1 VAL 8 11.399 9.332 17.919 71 HG21 VAL 8 1HG2 VAL 8 11.355 7.134 15.762 72 HG22 VAL 8 2HG2 VAL 8 10.687 8.767 15.529 73 HG23 VAL 8 3HG2 VAL 8 11.907 8.135 14.399 74 H ASN 9 H ASN 9 12.865 11.913 17.696 75 HA ASN 9 HA ASN 9 15.774 12.247 17.990 76 HB2 ASN 9 1HB ASN 9 13.398 13.585 19.317 77 HB3 ASN 9 2HB ASN 9 15.069 13.944 19.732 78 HD21 ASN 9 1HD2 ASN 9 13.339 15.588 16.496 79 HD22 ASN 9 2HD2 ASN 9 12.493 14.567 17.611 80 HA PRO 10 HA PRO 10 16.691 9.659 21.307 81 HB2 PRO 10 1HB PRO 10 17.530 12.187 22.793 82 HB3 PRO 10 2HB PRO 10 18.393 10.651 22.649 83 HG2 PRO 10 1HG PRO 10 19.178 12.658 21.106 84 HG3 PRO 10 2HG PRO 10 19.020 11.054 20.382 85 HD2 PRO 10 1HD PRO 10 17.114 13.420 20.237 86 HD3 PRO 10 2HD PRO 10 17.600 12.265 18.933 87 H GLY 11 H GLY 11 15.317 8.775 22.732 88 HA2 GLY 11 1HA GLY 11 13.932 8.650 24.635 89 HA3 GLY 11 2HA GLY 11 13.981 10.396 24.784 90 H GLU 12 H GLU 12 13.324 10.396 21.726 91 HA GLU 12 HA GLU 12 10.454 10.728 22.172 92 HB2 GLU 12 1HB GLU 12 11.938 12.248 20.739 93 HB3 GLU 12 2HB GLU 12 11.958 10.960 19.543 94 HG2 GLU 12 1HG GLU 12 9.557 11.101 19.271 95 HG3 GLU 12 2HG GLU 12 9.440 12.273 20.581 96 H GLU 13 H GLU 13 8.777 9.678 21.110 97 HA GLU 13 HA GLU 13 9.545 7.126 19.756 98 HB2 GLU 13 1HB GLU 13 7.154 7.675 21.559 99 HB3 GLU 13 2HB GLU 13 7.373 6.205 20.621 100 HG2 GLU 13 1HG GLU 13 9.447 5.723 21.867 101 HG3 GLU 13 2HG GLU 13 9.207 7.188 22.817 102 H TYR 14 H TYR 14 8.551 6.599 17.873 103 HA TYR 14 HA TYR 14 6.297 8.365 17.011 104 HB2 TYR 14 1HB TYR 14 8.412 8.645 15.659 105 HB3 TYR 14 2HB TYR 14 8.289 6.955 15.194 106 HD1 TYR 14 HD1 TYR 14 6.502 10.217 15.047 107 HD2 TYR 14 HD2 TYR 14 6.940 6.280 13.399 108 HE1 TYR 14 HE1 TYR 14 5.031 10.842 13.162 109 HE2 TYR 14 HE2 TYR 14 5.470 6.905 11.513 110 HH TYR 14 HH TYR 14 4.185 8.481 10.627 111 H GLU 15 H GLU 15 4.869 7.302 15.356 112 HA GLU 15 HA GLU 15 4.530 4.410 16.016 113 HB2 GLU 15 1HB GLU 15 2.361 6.544 15.899 114 HB3 GLU 15 2HB GLU 15 2.051 4.816 16.004 115 HG2 GLU 15 1HG GLU 15 3.203 4.730 18.171 116 HG3 GLU 15 2HG GLU 15 3.542 6.455 18.065 117 H VAL 16 H VAL 16 4.611 3.197 14.277 118 HA VAL 16 HA VAL 16 3.726 4.376 11.684 119 HB VAL 16 HB VAL 16 5.438 1.922 12.273 120 HG11 VAL 16 1HG1 VAL 16 5.787 1.810 9.854 121 HG12 VAL 16 2HG1 VAL 16 4.079 1.571 10.292 122 HG13 VAL 16 3HG1 VAL 16 4.617 3.131 9.625 123 HG21 VAL 16 1HG2 VAL 16 7.236 3.271 11.240 124 HG22 VAL 16 2HG2 VAL 16 6.107 4.636 11.060 125 HG23 VAL 16 3HG2 VAL 16 6.577 4.076 12.683 126 H LYS 17 H LYS 17 1.923 3.703 10.738 127 HA LYS 17 HA LYS 17 0.325 1.692 12.180 128 HB2 LYS 17 1HB LYS 17 -0.350 3.571 9.884 129 HB3 LYS 17 2HB LYS 17 -1.494 2.449 10.608 130 HG2 LYS 17 1HG LYS 17 -1.260 3.598 12.777 131 HG3 LYS 17 2HG LYS 17 -0.105 4.724 12.052 132 HD2 LYS 17 1HD LYS 17 -1.837 5.475 10.453 133 HD3 LYS 17 2HD LYS 17 -2.993 4.348 11.178 134 HE2 LYS 17 1HE LYS 17 -2.788 5.518 13.341 135 HE3 LYS 17 2HE LYS 17 -1.618 6.636 12.634 136 HZ1 LYS 17 1HZ LYS 17 -3.813 7.568 12.681 137 HZ2 LYS 17 2HZ LYS 17 -3.327 7.371 11.117 138 HZ3 LYS 17 3HZ LYS 17 -4.419 6.328 11.779 139 H VAL 18 H VAL 18 -0.594 -0.147 11.280 140 HA VAL 18 HA VAL 18 0.048 -0.699 8.431 141 HB VAL 18 HB VAL 18 1.701 -1.973 9.728 142 HG11 VAL 18 1HG1 VAL 18 1.013 -3.685 11.336 143 HG12 VAL 18 2HG1 VAL 18 0.533 -2.051 11.855 144 HG13 VAL 18 3HG1 VAL 18 -0.680 -3.160 11.168 145 HG21 VAL 18 1HG2 VAL 18 1.127 -4.240 8.919 146 HG22 VAL 18 2HG2 VAL 18 -0.559 -3.724 8.677 147 HG23 VAL 18 3HG2 VAL 18 0.742 -3.005 7.698 148 H ASN 19 H ASN 19 -1.612 -1.488 7.291 149 HA ASN 19 HA ASN 19 -4.180 -1.749 8.724 150 HB2 ASN 19 1HB ASN 19 -3.475 -1.584 5.780 151 HB3 ASN 19 2HB ASN 19 -5.111 -1.823 6.376 152 HD21 ASN 19 1HD2 ASN 19 -3.984 1.834 5.847 153 HD22 ASN 19 2HD2 ASN 19 -3.528 0.412 4.967 154 HA PRO 20 HA PRO 20 -4.610 -6.032 8.840 155 HB2 PRO 20 1HB PRO 20 -7.231 -5.546 7.354 156 HB3 PRO 20 2HB PRO 20 -6.933 -6.568 8.767 157 HG2 PRO 20 1HG PRO 20 -8.030 -4.187 9.169 158 HG3 PRO 20 2HG PRO 20 -6.727 -4.705 10.245 159 HD2 PRO 20 1HD PRO 20 -6.619 -2.794 7.880 160 HD3 PRO 20 2HD PRO 20 -5.810 -2.661 9.492 161 H GLY 21 H GLY 21 -3.733 -7.556 7.562 162 HA2 GLY 21 1HA GLY 21 -3.779 -8.961 5.607 163 HA3 GLY 21 2HA GLY 21 -4.455 -7.638 4.677 164 H THR 22 H THR 22 -2.475 -5.712 5.894 165 HA THR 22 HA THR 22 -0.552 -6.127 3.709 166 HB THR 22 HB THR 22 0.122 -3.810 4.115 167 HG1 THR 22 HG1 THR 22 -1.456 -4.134 6.460 168 HG21 THR 22 1HG2 THR 22 -2.039 -2.683 3.755 169 HG22 THR 22 2HG2 THR 22 -1.942 -4.188 2.812 170 HG23 THR 22 3HG2 THR 22 -2.896 -4.137 4.313 171 H ARG 23 H ARG 23 1.752 -5.610 4.028 172 HA ARG 23 HA ARG 23 2.709 -6.429 6.736 173 HB2 ARG 23 1HB ARG 23 2.950 -8.327 5.199 174 HB3 ARG 23 2HB ARG 23 3.814 -7.318 4.049 175 HG2 ARG 23 1HG ARG 23 5.658 -7.044 5.629 176 HG3 ARG 23 2HG ARG 23 4.777 -8.015 6.834 177 HD2 ARG 23 1HD ARG 23 5.569 -8.989 4.101 178 HD3 ARG 23 2HD ARG 23 6.504 -9.261 5.590 179 HE ARG 23 HE ARG 23 3.981 -10.162 6.199 180 HH11 ARG 23 1HH1 ARG 23 6.325 -10.863 3.679 181 HH12 ARG 23 2HH1 ARG 23 5.811 -12.524 3.488 182 HH21 ARG 23 1HH2 ARG 23 3.321 -12.320 5.942 183 HH22 ARG 23 2HH2 ARG 23 4.111 -13.349 4.768 184 H VAL 24 H VAL 24 4.587 -5.483 7.477 185 HA VAL 24 HA VAL 24 5.650 -3.252 5.807 186 HB VAL 24 HB VAL 24 4.872 -3.080 8.750 187 HG11 VAL 24 1HG1 VAL 24 5.494 -0.721 8.564 188 HG12 VAL 24 2HG1 VAL 24 6.878 -1.800 8.269 189 HG13 VAL 24 3HG1 VAL 24 6.062 -1.003 6.901 190 HG21 VAL 24 1HG2 VAL 24 3.200 -1.441 7.949 191 HG22 VAL 24 2HG2 VAL 24 3.700 -1.753 6.269 192 HG23 VAL 24 3HG2 VAL 24 2.930 -3.043 7.224 193 H GLU 25 H GLU 25 7.806 -2.987 5.860 194 HA GLU 25 HA GLU 25 9.284 -4.252 8.128 195 HB2 GLU 25 1HB GLU 25 9.710 -5.490 6.036 196 HB3 GLU 25 2HB GLU 25 10.180 -4.002 5.228 197 HG2 GLU 25 1HG GLU 25 12.100 -3.765 6.719 198 HG3 GLU 25 2HG GLU 25 11.615 -5.211 7.601 199 H ILE 26 H ILE 26 10.580 -2.984 9.270 200 HA ILE 26 HA ILE 26 11.115 -0.251 8.182 201 HB ILE 26 HB ILE 26 10.640 -1.079 11.078 202 HG12 ILE 26 1HG1 ILE 26 8.969 0.651 9.239 203 HG13 ILE 26 2HG1 ILE 26 8.611 -1.017 9.656 204 HG21 ILE 26 1HG2 ILE 26 10.807 1.330 11.557 205 HG22 ILE 26 2HG2 ILE 26 12.328 0.706 10.878 206 HG23 ILE 26 3HG2 ILE 26 11.217 1.645 9.853 207 HD11 ILE 26 1HD1 ILE 26 7.290 0.524 10.994 208 HD12 ILE 26 2HD1 ILE 26 8.411 -0.397 12.025 209 HD13 ILE 26 3HD1 ILE 26 8.772 1.293 11.604 210 H GLN 27 H GLN 27 13.158 0.171 7.799 211 HA GLN 27 HA GLN 27 15.233 -1.429 9.203 212 HB2 GLN 27 1HB GLN 27 15.308 -1.328 6.715 213 HB3 GLN 27 2HB GLN 27 15.472 0.420 6.795 214 HG2 GLN 27 1HG GLN 27 17.609 0.199 7.948 215 HG3 GLN 27 2HG GLN 27 17.440 -1.579 7.928 216 HE21 GLN 27 1HE2 GLN 27 19.359 -1.598 5.021 217 HE22 GLN 27 2HE2 GLN 27 19.195 -2.072 6.679 218 H ALA 28 H ALA 28 16.591 -0.614 10.646 219 HA ALA 28 HA ALA 28 16.163 2.222 11.397 220 HB1 ALA 28 1HB ALA 28 17.275 1.595 13.516 221 HB2 ALA 28 2HB ALA 28 15.880 0.545 13.167 222 HB3 ALA 28 3HB ALA 28 17.533 -0.048 12.886 223 H LYS 29 H LYS 29 17.681 3.762 11.315 224 HA LYS 29 HA LYS 29 20.377 2.973 10.338 225 HB2 LYS 29 1HB LYS 29 19.071 5.716 10.557 226 HB3 LYS 29 2HB LYS 29 20.685 5.412 9.928 227 HG2 LYS 29 1HG LYS 29 18.134 4.297 8.724 228 HG3 LYS 29 2HG LYS 29 18.974 5.750 8.165 229 HD2 LYS 29 1HD LYS 29 21.005 4.392 7.718 230 HD3 LYS 29 2HD LYS 29 20.137 2.941 8.241 231 HE2 LYS 29 1HE LYS 29 18.513 3.217 6.431 232 HE3 LYS 29 2HE LYS 29 19.276 4.732 5.940 233 HZ1 LYS 29 1HZ LYS 29 19.983 2.906 4.578 234 HZ2 LYS 29 2HZ LYS 29 21.268 3.496 5.427 235 HZ3 LYS 29 3HZ LYS 29 20.554 2.080 5.885 236 H GLY 30 H GLY 30 19.035 2.966 13.191 237 HA2 GLY 30 1HA GLY 30 21.521 3.466 14.597 238 HA3 GLY 30 2HA GLY 30 20.354 4.738 14.906 239 HA PRO 31 HA PRO 31 19.871 0.835 17.641 240 HB2 PRO 31 1HB PRO 31 20.284 3.078 19.663 241 HB3 PRO 31 2HB PRO 31 20.752 1.376 19.784 242 HG2 PRO 31 1HG PRO 31 22.634 3.146 19.169 243 HG3 PRO 31 2HG PRO 31 22.578 1.625 18.272 244 HD2 PRO 31 1HD PRO 31 21.565 4.375 17.451 245 HD3 PRO 31 2HD PRO 31 22.455 3.146 16.465 246 H ALA 32 H ALA 32 17.796 0.342 18.072 247 HA ALA 32 HA ALA 32 15.891 2.419 18.906 248 HB1 ALA 32 1HB ALA 32 14.361 1.990 17.010 249 HB2 ALA 32 2HB ALA 32 15.908 2.683 16.465 250 HB3 ALA 32 3HB ALA 32 15.592 0.944 16.264 251 H GLU 33 H GLU 33 13.951 1.627 19.738 252 HA GLU 33 HA GLU 33 13.819 -1.351 19.973 253 HB2 GLU 33 1HB GLU 33 14.164 -0.164 22.141 254 HB3 GLU 33 2HB GLU 33 12.690 0.752 21.865 255 HG2 GLU 33 1HG GLU 33 11.357 -1.277 21.959 256 HG3 GLU 33 2HG GLU 33 12.811 -2.261 22.102 257 H PHE 34 H PHE 34 12.051 -2.397 19.315 258 HA PHE 34 HA PHE 34 9.824 -0.713 18.249 259 HB2 PHE 34 1HB PHE 34 10.821 -3.454 17.386 260 HB3 PHE 34 2HB PHE 34 9.342 -2.719 16.788 261 HD1 PHE 34 HD1 PHE 34 12.974 -1.898 17.185 262 HD2 PHE 34 HD2 PHE 34 9.433 -1.533 14.821 263 HE1 PHE 34 HE1 PHE 34 14.267 -0.729 15.432 264 HE2 PHE 34 HE2 PHE 34 10.723 -0.365 13.064 265 HZ PHE 34 HZ PHE 34 13.141 0.037 13.371 266 H GLU 35 H GLU 35 7.990 -0.777 19.314 267 HA GLU 35 HA GLU 35 7.375 -3.236 20.898 268 HB2 GLU 35 1HB GLU 35 8.016 -1.337 22.363 269 HB3 GLU 35 2HB GLU 35 6.761 -0.345 21.633 270 HG2 GLU 35 1HG GLU 35 5.056 -1.961 22.461 271 HG3 GLU 35 2HG GLU 35 6.342 -2.853 23.270 272 H GLY 36 H GLY 36 5.534 -4.211 20.449 273 HA2 GLY 36 1HA GLY 36 3.007 -3.441 20.291 274 HA3 GLY 36 2HA GLY 36 3.541 -2.782 18.756 275 H GLY 37 H GLY 37 1.539 -4.710 18.914 276 HA2 GLY 37 1HA GLY 37 0.952 -6.565 17.616 277 HA3 GLY 37 2HA GLY 37 2.624 -6.722 17.111 278 H GLY 38 H GLY 38 2.427 -6.458 20.478 279 HA2 GLY 38 1HA GLY 38 2.443 -8.073 22.197 280 HA3 GLY 38 2HA GLY 38 2.096 -9.329 21.022 281 H THR 39 H THR 39 4.584 -7.329 19.908 282 HA THR 39 HA THR 39 6.612 -9.331 20.812 283 HB THR 39 HB THR 39 7.802 -8.962 18.718 284 HG1 THR 39 HG1 THR 39 5.881 -6.906 18.417 285 HG21 THR 39 1HG2 THR 39 6.141 -9.817 17.113 286 HG22 THR 39 2HG2 THR 39 5.971 -10.621 18.692 287 HG23 THR 39 3HG2 THR 39 4.827 -9.345 18.215 288 H ARG 40 H ARG 40 8.842 -8.554 20.944 289 HA ARG 40 HA ARG 40 9.159 -5.617 21.091 290 HB2 ARG 40 1HB ARG 40 8.624 -6.384 23.407 291 HB3 ARG 40 2HB ARG 40 10.017 -7.454 23.353 292 HG2 ARG 40 1HG ARG 40 11.517 -5.534 23.141 293 HG3 ARG 40 2HG ARG 40 10.118 -4.434 23.142 294 HD2 ARG 40 1HD ARG 40 9.505 -5.271 25.362 295 HD3 ARG 40 2HD ARG 40 10.967 -6.283 25.359 296 HE ARG 40 HE ARG 40 11.728 -3.624 24.815 297 HH11 ARG 40 1HH1 ARG 40 10.399 -5.545 27.438 298 HH12 ARG 40 2HH1 ARG 40 11.095 -4.543 28.691 299 HH21 ARG 40 1HH2 ARG 40 12.625 -2.331 26.452 300 HH22 ARG 40 2HH2 ARG 40 12.356 -2.723 28.134 301 H THR 41 H THR 41 10.813 -5.124 19.843 302 HA THR 41 HA THR 41 13.156 -6.958 19.781 303 HB THR 41 HB THR 41 11.682 -5.914 17.325 304 HG1 THR 41 HG1 THR 41 11.994 -8.453 18.551 305 HG21 THR 41 1HG2 THR 41 13.408 -7.118 16.045 306 HG22 THR 41 2HG2 THR 41 14.134 -5.830 17.035 307 HG23 THR 41 3HG2 THR 41 14.251 -7.526 17.556 308 H ARG 42 H ARG 42 15.081 -5.980 19.727 309 HA ARG 42 HA ARG 42 15.112 -3.063 19.075 310 HB2 ARG 42 1HB ARG 42 16.944 -4.715 20.842 311 HB3 ARG 42 2HB ARG 42 17.311 -3.072 20.337 312 HG2 ARG 42 1HG ARG 42 15.210 -2.307 21.443 313 HG3 ARG 42 2HG ARG 42 14.978 -3.967 22.045 314 HD2 ARG 42 1HD ARG 42 17.031 -3.864 23.259 315 HD3 ARG 42 2HD ARG 42 17.408 -2.270 22.563 316 HE ARG 42 HE ARG 42 14.876 -2.299 23.936 317 HH11 ARG 42 1HH1 ARG 42 18.352 -2.071 24.390 318 HH12 ARG 42 2HH1 ARG 42 18.224 -1.188 25.894 319 HH21 ARG 42 1HH2 ARG 42 14.723 -1.152 25.890 320 HH22 ARG 42 2HH2 ARG 42 16.170 -0.667 26.745 321 H LEU 43 H LEU 43 16.578 -2.266 17.626 322 HA LEU 43 HA LEU 43 17.903 -4.361 15.957 323 HB2 LEU 43 1HB LEU 43 16.871 -1.615 15.161 324 HB3 LEU 43 2HB LEU 43 17.674 -2.762 14.083 325 HG LEU 43 HG LEU 43 14.962 -3.106 15.409 326 HD11 LEU 43 1HD1 LEU 43 14.155 -3.047 13.091 327 HD12 LEU 43 2HD1 LEU 43 15.001 -1.544 13.532 328 HD13 LEU 43 3HD1 LEU 43 15.817 -2.761 12.520 329 HD21 LEU 43 1HD2 LEU 43 14.860 -5.220 14.133 330 HD22 LEU 43 2HD2 LEU 43 16.531 -4.965 13.575 331 HD23 LEU 43 3HD2 LEU 43 16.201 -5.243 15.302 332 H ASN 44 H ASN 44 20.049 -4.160 15.412 333 HA ASN 44 HA ASN 44 21.486 -1.709 16.212 334 HB2 ASN 44 1HB ASN 44 22.406 -4.173 14.692 335 HB3 ASN 44 2HB ASN 44 23.443 -2.833 15.165 336 HD21 ASN 44 1HD2 ASN 44 22.967 -5.827 17.660 337 HD22 ASN 44 2HD2 ASN 44 22.715 -5.859 15.947 338 HA PRO 45 HA PRO 45 21.291 0.654 12.577 339 HB2 PRO 45 1HB PRO 45 24.319 0.323 12.445 340 HB3 PRO 45 2HB PRO 45 23.357 1.795 12.259 341 HG2 PRO 45 1HG PRO 45 24.559 1.390 14.586 342 HG3 PRO 45 2HG PRO 45 22.883 1.947 14.593 343 HD2 PRO 45 1HD PRO 45 23.974 -0.860 15.028 344 HD3 PRO 45 2HD PRO 45 22.647 -0.003 15.910 345 H GLY 46 H GLY 46 20.721 -0.018 10.595 346 HA2 GLY 46 1HA GLY 46 21.280 -0.918 8.420 347 HA3 GLY 46 2HA GLY 46 22.420 -2.015 9.178 348 H GLU 47 H GLU 47 20.439 -2.640 11.359 349 HA GLU 47 HA GLU 47 19.238 -4.907 9.973 350 HB2 GLU 47 1HB GLU 47 19.069 -4.009 12.879 351 HB3 GLU 47 2HB GLU 47 18.436 -5.527 12.260 352 HG2 GLU 47 1HG GLU 47 20.674 -6.265 11.657 353 HG3 GLU 47 2HG GLU 47 21.347 -4.713 12.151 354 H SER 48 H SER 48 16.956 -5.538 10.385 355 HA SER 48 HA SER 48 15.160 -3.159 10.357 356 HB2 SER 48 1HB SER 48 13.972 -4.036 8.427 357 HB3 SER 48 2HB SER 48 15.665 -3.796 8.026 358 HG SER 48 HG SER 48 14.519 -5.850 7.488 359 H TYR 49 H TYR 49 12.958 -3.589 10.848 360 HA TYR 49 HA TYR 49 12.532 -6.226 12.190 361 HB2 TYR 49 1HB TYR 49 12.555 -4.540 13.897 362 HB3 TYR 49 2HB TYR 49 11.556 -3.452 12.942 363 HD1 TYR 49 HD1 TYR 49 11.480 -6.824 14.559 364 HD2 TYR 49 HD2 TYR 49 9.265 -3.380 13.276 365 HE1 TYR 49 HE1 TYR 49 9.455 -7.718 15.656 366 HE2 TYR 49 HE2 TYR 49 7.239 -4.274 14.376 367 HH TYR 49 HH TYR 49 7.344 -6.963 16.518 368 H LYS 50 H LYS 50 10.934 -7.460 11.517 369 HA LYS 50 HA LYS 50 9.108 -6.287 9.467 370 HB2 LYS 50 1HB LYS 50 10.022 -9.158 9.907 371 HB3 LYS 50 2HB LYS 50 8.809 -8.677 8.729 372 HG2 LYS 50 1HG LYS 50 10.467 -7.312 7.542 373 HG3 LYS 50 2HG LYS 50 11.691 -7.735 8.747 374 HD2 LYS 50 1HD LYS 50 11.464 -10.122 8.149 375 HD3 LYS 50 2HD LYS 50 10.230 -9.707 6.950 376 HE2 LYS 50 1HE LYS 50 11.862 -8.357 5.705 377 HE3 LYS 50 2HE LYS 50 13.096 -8.691 6.921 378 HZ1 LYS 50 1HZ LYS 50 13.316 -10.123 5.027 379 HZ2 LYS 50 2HZ LYS 50 12.938 -11.019 6.360 380 HZ3 LYS 50 3HZ LYS 50 11.786 -10.706 5.223 381 H PHE 51 H PHE 51 6.957 -6.379 9.660 382 HA PHE 51 HA PHE 51 5.725 -8.298 11.500 383 HB2 PHE 51 1HB PHE 51 4.484 -6.596 12.782 384 HB3 PHE 51 2HB PHE 51 6.216 -6.447 13.038 385 HD1 PHE 51 HD1 PHE 51 3.216 -4.801 11.954 386 HD2 PHE 51 HD2 PHE 51 7.482 -4.650 11.778 387 HE1 PHE 51 HE1 PHE 51 3.103 -2.418 11.310 388 HE2 PHE 51 HE2 PHE 51 7.373 -2.264 11.136 389 HZ PHE 51 HZ PHE 51 5.182 -1.149 10.900 390 H GLU 52 H GLU 52 3.344 -8.241 11.387 391 HA GLU 52 HA GLU 52 2.229 -6.812 9.057 392 HB2 GLU 52 1HB GLU 52 1.312 -8.872 8.057 393 HB3 GLU 52 2HB GLU 52 3.070 -8.893 8.058 394 HG2 GLU 52 1HG GLU 52 2.998 -10.322 10.109 395 HG3 GLU 52 2HG GLU 52 1.242 -10.379 9.956 396 H ASN 53 H ASN 53 -0.124 -7.041 8.895 397 HA ASN 53 HA ASN 53 -1.224 -7.118 11.660 398 HB2 ASN 53 1HB ASN 53 -1.370 -4.991 10.335 399 HB3 ASN 53 2HB ASN 53 -2.396 -5.828 9.177 400 HD21 ASN 53 1HD2 ASN 53 -4.395 -3.984 11.779 401 HD22 ASN 53 2HD2 ASN 53 -3.052 -3.536 10.782 402 H LEU 54 H LEU 54 -2.003 -9.036 12.154 403 HA LEU 54 HA LEU 54 -3.559 -10.494 10.074 404 HB2 LEU 54 1HB LEU 54 -2.383 -11.487 12.695 405 HB3 LEU 54 2HB LEU 54 -3.234 -12.476 11.505 406 HG LEU 54 HG LEU 54 -0.571 -11.076 11.073 407 HD11 LEU 54 1HD1 LEU 54 0.325 -13.361 11.066 408 HD12 LEU 54 2HD1 LEU 54 -0.439 -12.959 12.621 409 HD13 LEU 54 3HD1 LEU 54 -1.291 -13.996 11.452 410 HD21 LEU 54 1HD2 LEU 54 -0.554 -12.338 8.949 411 HD22 LEU 54 2HD2 LEU 54 -2.183 -12.961 9.304 412 HD23 LEU 54 3HD2 LEU 54 -1.938 -11.221 9.017 413 H THR 55 H THR 55 -4.467 -8.200 11.822 414 HA THR 55 HA THR 55 -6.650 -9.634 13.276 415 HB THR 55 HB THR 55 -6.771 -7.823 14.833 416 HG1 THR 55 HG1 THR 55 -5.099 -6.451 12.974 417 HG21 THR 55 1HG2 THR 55 -4.481 -7.684 15.732 418 HG22 THR 55 2HG2 THR 55 -4.856 -9.341 15.203 419 HG23 THR 55 3HG2 THR 55 -3.834 -8.295 14.191 420 H SER 56 H SER 56 -8.434 -7.675 13.693 421 HA SER 56 HA SER 56 -9.348 -7.085 10.923 422 HB2 SER 56 1HB SER 56 -11.577 -6.884 11.898 423 HB3 SER 56 2HB SER 56 -10.857 -8.427 12.329 424 HG SER 56 HG SER 56 -11.877 -6.786 13.934 425 H GLN 57 H GLN 57 -7.565 -5.567 13.117 426 HA GLN 57 HA GLN 57 -8.720 -2.913 12.426 427 HB2 GLN 57 1HB GLN 57 -7.922 -3.850 15.207 428 HB3 GLN 57 2HB GLN 57 -8.123 -2.157 14.783 429 HG2 GLN 57 1HG GLN 57 -10.314 -4.199 14.407 430 HG3 GLN 57 2HG GLN 57 -10.079 -3.268 15.914 431 HE21 GLN 57 1HE2 GLN 57 -11.640 -1.524 12.541 432 HE22 GLN 57 2HE2 GLN 57 -10.890 -3.085 12.477 433 HA PRO 58 HA PRO 58 -4.645 -1.769 11.338 434 HB2 PRO 58 1HB PRO 58 -5.377 0.821 12.754 435 HB3 PRO 58 2HB PRO 58 -4.656 0.594 11.155 436 HG2 PRO 58 1HG PRO 58 -7.243 1.173 11.283 437 HG3 PRO 58 2HG PRO 58 -6.716 -0.091 10.168 438 HD2 PRO 58 1HD PRO 58 -7.956 -0.374 12.937 439 HD3 PRO 58 2HD PRO 58 -8.327 -1.296 11.424 440 H LEU 59 H LEU 59 -2.670 -1.876 12.325 441 HA LEU 59 HA LEU 59 -2.628 -1.639 15.306 442 HB2 LEU 59 1HB LEU 59 -0.857 -3.341 13.516 443 HB3 LEU 59 2HB LEU 59 -0.774 -3.254 15.277 444 HG LEU 59 HG LEU 59 -3.145 -4.318 13.703 445 HD11 LEU 59 1HD1 LEU 59 -2.372 -6.517 14.473 446 HD12 LEU 59 2HD1 LEU 59 -1.166 -5.723 13.435 447 HD13 LEU 59 3HD1 LEU 59 -0.937 -5.758 15.200 448 HD21 LEU 59 1HD2 LEU 59 -3.877 -5.124 15.921 449 HD22 LEU 59 2HD2 LEU 59 -2.462 -4.345 16.671 450 HD23 LEU 59 3HD2 LEU 59 -3.722 -3.351 15.903 451 H ARG 60 H ARG 60 -0.536 -1.011 16.240 452 HA ARG 60 HA ARG 60 1.038 0.743 14.409 453 HB2 ARG 60 1HB ARG 60 -0.074 1.401 17.148 454 HB3 ARG 60 2HB ARG 60 1.280 2.280 16.454 455 HG2 ARG 60 1HG ARG 60 -0.058 3.118 14.666 456 HG3 ARG 60 2HG ARG 60 -1.403 2.029 15.082 457 HD2 ARG 60 1HD ARG 60 -0.328 4.104 16.964 458 HD3 ARG 60 2HD ARG 60 -1.635 4.420 15.799 459 HE ARG 60 HE ARG 60 -2.514 2.200 17.091 460 HH11 ARG 60 1HH1 ARG 60 -1.298 5.297 18.216 461 HH12 ARG 60 2HH1 ARG 60 -2.265 5.288 19.674 462 HH21 ARG 60 1HH2 ARG 60 -3.762 2.199 18.987 463 HH22 ARG 60 2HH2 ARG 60 -3.660 3.535 20.112 464 H ILE 61 H ILE 61 3.203 0.643 14.607 465 HA ILE 61 HA ILE 61 4.287 -0.788 16.995 466 HB ILE 61 HB ILE 61 5.561 -0.359 14.258 467 HG12 ILE 61 1HG1 ILE 61 3.748 -1.983 14.192 468 HG13 ILE 61 2HG1 ILE 61 5.309 -2.758 13.975 469 HG21 ILE 61 1HG2 ILE 61 7.338 -1.834 15.110 470 HG22 ILE 61 2HG2 ILE 61 7.217 -0.351 16.084 471 HG23 ILE 61 3HG2 ILE 61 6.544 -1.878 16.703 472 HD11 ILE 61 1HD1 ILE 61 3.868 -4.077 15.422 473 HD12 ILE 61 2HD1 ILE 61 5.287 -3.489 16.321 474 HD13 ILE 61 3HD1 ILE 61 3.705 -2.705 16.541 475 H ARG 62 H ARG 62 5.474 0.277 18.418 476 HA ARG 62 HA ARG 62 5.886 3.147 18.017 477 HB2 ARG 62 1HB ARG 62 6.537 1.292 20.330 478 HB3 ARG 62 2HB ARG 62 6.838 3.023 20.345 479 HG2 ARG 62 1HG ARG 62 4.465 3.490 20.164 480 HG3 ARG 62 2HG ARG 62 4.110 1.753 19.999 481 HD2 ARG 62 1HD ARG 62 4.980 1.348 22.212 482 HD3 ARG 62 2HD ARG 62 5.402 3.067 22.378 483 HE ARG 62 HE ARG 62 2.723 3.092 21.790 484 HH11 ARG 62 1HH1 ARG 62 4.700 1.531 24.239 485 HH12 ARG 62 2HH1 ARG 62 3.432 1.534 25.444 486 HH21 ARG 62 1HH2 ARG 62 1.084 3.090 23.363 487 HH22 ARG 62 2HH2 ARG 62 1.386 2.416 24.949 488 H LEU 63 H LEU 63 7.711 4.170 17.508 489 HA LEU 63 HA LEU 63 10.194 2.524 17.310 490 HB2 LEU 63 1HB LEU 63 9.530 5.135 15.905 491 HB3 LEU 63 2HB LEU 63 10.970 4.144 15.654 492 HG LEU 63 HG LEU 63 8.122 3.361 14.944 493 HD11 LEU 63 1HD1 LEU 63 8.931 3.564 12.635 494 HD12 LEU 63 2HD1 LEU 63 9.043 5.109 13.510 495 HD13 LEU 63 3HD1 LEU 63 10.505 4.132 13.236 496 HD21 LEU 63 1HD2 LEU 63 9.201 1.404 13.886 497 HD22 LEU 63 2HD2 LEU 63 10.781 1.941 14.505 498 HD23 LEU 63 3HD2 LEU 63 9.506 1.435 15.639 499 H ARG 64 H ARG 64 11.313 2.752 19.136 500 HA ARG 64 HA ARG 64 11.441 5.456 20.377 501 HB2 ARG 64 1HB ARG 64 10.663 3.642 21.839 502 HB3 ARG 64 2HB ARG 64 12.121 2.718 21.506 503 HG2 ARG 64 1HG ARG 64 13.478 4.457 22.596 504 HG3 ARG 64 2HG ARG 64 11.997 5.383 22.942 505 HD2 ARG 64 1HD ARG 64 12.458 2.557 23.854 506 HD3 ARG 64 2HD ARG 64 12.859 3.996 24.820 507 HE ARG 64 HE ARG 64 10.240 4.385 24.116 508 HH11 ARG 64 1HH1 ARG 64 12.004 1.786 25.691 509 HH12 ARG 64 2HH1 ARG 64 10.637 1.276 26.658 510 HH21 ARG 64 1HH2 ARG 64 8.475 3.715 25.377 511 HH22 ARG 64 2HH2 ARG 64 8.639 2.368 26.481 512 H ASN 65 H ASN 65 13.221 6.627 20.273 513 HA ASN 65 HA ASN 65 15.619 5.488 19.020 514 HB2 ASN 65 1HB ASN 65 14.827 7.751 18.426 515 HB3 ASN 65 2HB ASN 65 15.065 8.276 20.087 516 HD21 ASN 65 1HD2 ASN 65 18.002 9.306 18.105 517 HD22 ASN 65 2HD2 ASN 65 16.296 9.601 18.063 518 H LEU 66 H LEU 66 17.093 4.426 20.087 519 HA LEU 66 HA LEU 66 17.164 4.692 23.027 520 HB2 LEU 66 1HB LEU 66 18.549 2.733 21.161 521 HB3 LEU 66 2HB LEU 66 18.584 2.663 22.925 522 HG LEU 66 HG LEU 66 16.096 2.351 21.208 523 HD11 LEU 66 1HD1 LEU 66 16.234 -0.009 21.872 524 HD12 LEU 66 2HD1 LEU 66 17.661 0.496 20.937 525 HD13 LEU 66 3HD1 LEU 66 17.773 0.317 22.704 526 HD21 LEU 66 1HD2 LEU 66 15.059 1.655 23.341 527 HD22 LEU 66 2HD2 LEU 66 16.582 2.002 24.195 528 HD23 LEU 66 3HD2 LEU 66 15.663 3.326 23.438 529 H SER 67 H SER 67 18.641 6.209 20.509 530 HA SER 67 HA SER 67 21.401 5.997 21.559 531 HB2 SER 67 1HB SER 67 21.133 5.737 19.164 532 HB3 SER 67 2HB SER 67 20.242 7.246 19.048 533 HG SER 67 HG SER 67 22.277 7.686 18.500 534 H ASP 68 H ASP 68 22.653 8.207 21.203 535 HA ASP 68 HA ASP 68 21.222 10.216 22.851 536 HB2 ASP 68 1HB ASP 68 24.144 9.980 22.026 537 HB3 ASP 68 2HB ASP 68 23.493 11.294 22.995 538 H THR 69 H THR 69 21.763 9.536 19.618 539 HA THR 69 HA THR 69 21.281 12.404 18.930 540 HB THR 69 HB THR 69 22.501 12.078 16.822 541 HG1 THR 69 HG1 THR 69 22.512 10.028 16.232 542 HG21 THR 69 1HG2 THR 69 24.778 11.825 17.728 543 HG22 THR 69 2HG2 THR 69 23.775 12.831 18.800 544 HG23 THR 69 3HG2 THR 69 24.111 11.138 19.225 545 HA PRO 70 HA PRO 70 17.631 11.290 16.830 546 HB2 PRO 70 1HB PRO 70 18.790 12.820 14.471 547 HB3 PRO 70 2HB PRO 70 17.191 12.965 15.212 548 HG2 PRO 70 1HG PRO 70 19.004 14.819 15.784 549 HG3 PRO 70 2HG PRO 70 18.020 14.167 17.097 550 HD2 PRO 70 1HD PRO 70 20.876 13.454 16.306 551 HD3 PRO 70 2HD PRO 70 20.190 13.740 17.956 552 H ILE 71 H ILE 71 16.943 9.668 15.468 553 HA ILE 71 HA ILE 71 18.971 8.498 13.614 554 HB ILE 71 HB ILE 71 18.113 6.246 14.176 555 HG12 ILE 71 1HG1 ILE 71 16.425 7.654 16.257 556 HG13 ILE 71 2HG1 ILE 71 15.821 6.941 14.770 557 HG21 ILE 71 1HG2 ILE 71 19.037 6.084 16.451 558 HG22 ILE 71 2HG2 ILE 71 20.042 7.135 15.427 559 HG23 ILE 71 3HG2 ILE 71 18.937 7.852 16.622 560 HD11 ILE 71 1HD1 ILE 71 15.458 5.460 16.665 561 HD12 ILE 71 2HD1 ILE 71 16.592 4.726 15.505 562 HD13 ILE 71 3HD1 ILE 71 17.203 5.449 17.012 563 H GLU 72 H GLU 72 18.139 7.349 11.797 564 HA GLU 72 HA GLU 72 15.440 8.337 10.999 565 HB2 GLU 72 1HB GLU 72 17.815 7.439 9.315 566 HB3 GLU 72 2HB GLU 72 16.240 7.860 8.657 567 HG2 GLU 72 1HG GLU 72 16.471 10.143 9.516 568 HG3 GLU 72 2HG GLU 72 18.030 9.728 10.226 569 H PHE 73 H PHE 73 13.900 6.969 10.159 570 HA PHE 73 HA PHE 73 14.672 4.086 9.963 571 HB2 PHE 73 1HB PHE 73 11.952 5.266 10.653 572 HB3 PHE 73 2HB PHE 73 12.273 3.558 10.396 573 HD1 PHE 73 HD1 PHE 73 12.833 6.424 12.631 574 HD2 PHE 73 HD2 PHE 73 13.387 2.227 12.059 575 HE1 PHE 73 HE1 PHE 73 13.418 6.178 15.020 576 HE2 PHE 73 HE2 PHE 73 13.970 1.976 14.447 577 HZ PHE 73 HZ PHE 73 13.988 3.953 15.928 578 H ARG 74 H ARG 74 14.201 3.000 8.123 579 HA ARG 74 HA ARG 74 12.708 4.510 6.022 580 HB2 ARG 74 1HB ARG 74 15.072 3.845 5.485 581 HB3 ARG 74 2HB ARG 74 14.601 2.161 5.658 582 HG2 ARG 74 1HG ARG 74 13.038 2.378 3.790 583 HG3 ARG 74 2HG ARG 74 13.459 4.101 3.631 584 HD2 ARG 74 1HD ARG 74 15.806 3.421 3.251 585 HD3 ARG 74 2HD ARG 74 15.263 1.728 3.243 586 HE ARG 74 HE ARG 74 13.704 3.231 1.409 587 HH11 ARG 74 1HH1 ARG 74 16.953 1.961 1.828 588 HH12 ARG 74 2HH1 ARG 74 17.255 1.820 0.111 589 HH21 ARG 74 1HH2 ARG 74 14.107 3.043 -0.818 590 HH22 ARG 74 2HH2 ARG 74 15.645 2.433 -1.388 591 H ILE 75 H ILE 75 10.745 3.832 5.512 592 HA ILE 75 HA ILE 75 9.922 1.182 6.621 593 HB ILE 75 HB ILE 75 8.249 3.701 6.225 594 HG12 ILE 75 1HG1 ILE 75 8.158 3.294 8.849 595 HG13 ILE 75 2HG1 ILE 75 9.727 2.560 8.555 596 HG21 ILE 75 1HG2 ILE 75 6.513 2.447 7.439 597 HG22 ILE 75 2HG2 ILE 75 6.951 1.626 5.924 598 HG23 ILE 75 3HG2 ILE 75 7.567 1.015 7.477 599 HD11 ILE 75 1HD1 ILE 75 9.956 4.903 9.164 600 HD12 ILE 75 2HD1 ILE 75 10.513 4.633 7.495 601 HD13 ILE 75 3HD1 ILE 75 8.925 5.377 7.795 602 H ARG 76 H ARG 76 9.348 -0.320 5.232 603 HA ARG 76 HA ARG 76 8.282 0.560 2.582 604 HB2 ARG 76 1HB ARG 76 10.422 -0.656 2.410 605 HB3 ARG 76 2HB ARG 76 9.741 -2.008 3.301 606 HG2 ARG 76 1HG ARG 76 8.161 -2.448 1.497 607 HG3 ARG 76 2HG ARG 76 8.765 -1.030 0.603 608 HD2 ARG 76 1HD ARG 76 9.755 -3.009 -0.284 609 HD3 ARG 76 2HD ARG 76 10.999 -2.070 0.574 610 HE ARG 76 HE ARG 76 11.181 -3.748 2.152 611 HH11 ARG 76 1HH1 ARG 76 8.438 -4.370 0.046 612 HH12 ARG 76 2HH1 ARG 76 8.215 -6.009 0.613 613 HH21 ARG 76 1HH2 ARG 76 10.880 -5.877 2.880 614 HH22 ARG 76 2HH2 ARG 76 9.596 -6.863 2.217 615 H GLU 77 H GLU 77 6.298 -0.038 2.017 616 HA GLU 77 HA GLU 77 4.884 -1.922 3.857 617 HB2 GLU 77 1HB GLU 77 3.776 0.349 2.155 618 HB3 GLU 77 2HB GLU 77 2.801 -0.751 3.119 619 HG2 GLU 77 1HG GLU 77 4.074 0.044 5.148 620 HG3 GLU 77 2HG GLU 77 4.814 1.269 4.119 621 H GLU 78 H GLU 78 3.628 -3.558 3.057 622 HA GLU 78 HA GLU 78 3.615 -3.867 0.082 623 HB2 GLU 78 1HB GLU 78 3.549 -6.018 2.237 624 HB3 GLU 78 2HB GLU 78 3.355 -6.321 0.516 625 HG2 GLU 78 1HG GLU 78 5.621 -5.427 0.111 626 HG3 GLU 78 2HG GLU 78 5.814 -5.154 1.841 Start of MODEL 10 1 H1 THR 1 1H THR 1 2.083 -1.131 -3.396 2 H2 THR 1 2H THR 1 1.487 0.087 -2.486 3 H3 THR 1 3H THR 1 2.289 0.418 -3.868 4 HA THR 1 HA THR 1 3.413 -0.791 -1.469 5 HB THR 1 HB THR 1 4.741 -0.011 -4.100 6 HG1 THR 1 HG1 THR 1 4.097 -2.475 -2.843 7 HG21 THR 1 1HG2 THR 1 6.799 -0.868 -3.052 8 HG22 THR 1 2HG2 THR 1 6.151 0.517 -2.141 9 HG23 THR 1 3HG2 THR 1 5.918 -1.138 -1.532 10 H ARG 2 H ARG 2 4.266 0.546 -0.017 11 HA ARG 2 HA ARG 2 4.414 3.440 -0.745 12 HB2 ARG 2 1HB ARG 2 2.413 3.079 0.609 13 HB3 ARG 2 2HB ARG 2 3.347 2.220 1.824 14 HG2 ARG 2 1HG ARG 2 4.559 4.261 2.386 15 HG3 ARG 2 2HG ARG 2 3.691 5.143 1.107 16 HD2 ARG 2 1HD ARG 2 2.702 5.588 3.245 17 HD3 ARG 2 2HD ARG 2 1.578 4.643 2.241 18 HE ARG 2 HE ARG 2 1.892 2.785 3.633 19 HH11 ARG 2 1HH1 ARG 2 3.840 5.523 4.656 20 HH12 ARG 2 2HH1 ARG 2 4.165 4.860 6.242 21 HH21 ARG 2 1HH2 ARG 2 2.320 1.934 5.695 22 HH22 ARG 2 2HH2 ARG 2 3.306 2.828 6.831 23 H GLU 3 H GLU 3 6.146 4.565 -0.027 24 HA GLU 3 HA GLU 3 7.862 3.317 2.052 25 HB2 GLU 3 1HB GLU 3 8.844 2.714 -0.151 26 HB3 GLU 3 2HB GLU 3 8.902 4.413 -0.594 27 HG2 GLU 3 1HG GLU 3 10.514 4.876 1.142 28 HG3 GLU 3 2HG GLU 3 10.366 3.238 1.777 29 H THR 4 H THR 4 8.554 4.695 3.542 30 HA THR 4 HA THR 4 8.809 7.560 2.874 31 HB THR 4 HB THR 4 6.437 7.233 3.688 32 HG1 THR 4 HG1 THR 4 6.728 9.195 4.402 33 HG21 THR 4 1HG2 THR 4 6.108 6.786 6.088 34 HG22 THR 4 2HG2 THR 4 6.887 5.402 5.284 35 HG23 THR 4 3HG2 THR 4 7.856 6.512 6.281 36 H LYS 5 H LYS 5 9.302 8.675 5.232 37 HA LYS 5 HA LYS 5 11.171 7.016 6.768 38 HB2 LYS 5 1HB LYS 5 12.578 7.639 4.858 39 HB3 LYS 5 2HB LYS 5 12.154 9.332 5.055 40 HG2 LYS 5 1HG LYS 5 13.268 9.340 7.272 41 HG3 LYS 5 2HG LYS 5 13.731 7.651 7.024 42 HD2 LYS 5 1HD LYS 5 14.454 9.802 5.018 43 HD3 LYS 5 2HD LYS 5 15.462 9.476 6.435 44 HE2 LYS 5 1HE LYS 5 15.486 7.029 5.693 45 HE3 LYS 5 2HE LYS 5 14.764 7.573 4.177 46 HZ1 LYS 5 1HZ LYS 5 17.139 7.433 4.021 47 HZ2 LYS 5 2HZ LYS 5 16.663 9.003 3.852 48 HZ3 LYS 5 3HZ LYS 5 17.340 8.494 5.268 49 H VAL 6 H VAL 6 11.465 7.724 8.795 50 HA VAL 6 HA VAL 6 10.626 10.530 9.390 51 HB VAL 6 HB VAL 6 9.744 9.762 11.554 52 HG11 VAL 6 1HG1 VAL 6 7.770 8.561 10.750 53 HG12 VAL 6 2HG1 VAL 6 8.216 9.906 9.674 54 HG13 VAL 6 3HG1 VAL 6 8.599 8.229 9.211 55 HG21 VAL 6 1HG2 VAL 6 9.525 7.340 12.010 56 HG22 VAL 6 2HG2 VAL 6 10.412 6.978 10.509 57 HG23 VAL 6 3HG2 VAL 6 11.233 7.812 11.851 58 H THR 7 H THR 7 11.798 11.642 10.938 59 HA THR 7 HA THR 7 14.304 10.294 11.844 60 HB THR 7 HB THR 7 13.688 13.269 11.573 61 HG1 THR 7 HG1 THR 7 15.627 11.766 10.145 62 HG21 THR 7 1HG2 THR 7 16.074 13.573 12.104 63 HG22 THR 7 2HG2 THR 7 15.220 12.782 13.450 64 HG23 THR 7 3HG2 THR 7 16.246 11.821 12.359 65 H VAL 8 H VAL 8 14.696 9.975 13.934 66 HA VAL 8 HA VAL 8 12.592 10.964 15.814 67 HB VAL 8 HB VAL 8 14.038 8.284 15.929 68 HG11 VAL 8 1HG1 VAL 8 12.336 7.720 17.593 69 HG12 VAL 8 2HG1 VAL 8 13.325 9.111 18.097 70 HG13 VAL 8 3HG1 VAL 8 11.677 9.369 17.478 71 HG21 VAL 8 1HG2 VAL 8 11.883 7.321 15.187 72 HG22 VAL 8 2HG2 VAL 8 11.218 8.961 14.995 73 HG23 VAL 8 3HG2 VAL 8 12.557 8.415 13.956 74 H ASN 9 H ASN 9 13.269 12.048 17.530 75 HA ASN 9 HA ASN 9 16.155 12.280 18.031 76 HB2 ASN 9 1HB ASN 9 13.730 13.596 19.292 77 HB3 ASN 9 2HB ASN 9 15.384 13.902 19.809 78 HD21 ASN 9 1HD2 ASN 9 13.848 15.760 16.598 79 HD22 ASN 9 2HD2 ASN 9 12.928 14.712 17.625 80 HA PRO 10 HA PRO 10 16.806 9.475 21.244 81 HB2 PRO 10 1HB PRO 10 17.689 11.903 22.868 82 HB3 PRO 10 2HB PRO 10 18.487 10.334 22.701 83 HG2 PRO 10 1HG PRO 10 19.431 12.361 21.274 84 HG3 PRO 10 2HG PRO 10 19.236 10.795 20.482 85 HD2 PRO 10 1HD PRO 10 17.444 13.249 20.347 86 HD3 PRO 10 2HD PRO 10 17.942 12.123 19.020 87 H GLY 11 H GLY 11 15.290 8.606 22.524 88 HA2 GLY 11 1HA GLY 11 13.848 8.487 24.398 89 HA3 GLY 11 2HA GLY 11 13.928 10.230 24.574 90 H GLU 12 H GLU 12 13.417 10.331 21.507 91 HA GLU 12 HA GLU 12 10.533 10.689 21.817 92 HB2 GLU 12 1HB GLU 12 12.113 12.223 20.501 93 HB3 GLU 12 2HB GLU 12 12.171 10.968 19.271 94 HG2 GLU 12 1HG GLU 12 9.758 11.144 18.936 95 HG3 GLU 12 2HG GLU 12 9.650 12.348 20.219 96 H GLU 13 H GLU 13 8.893 9.655 20.719 97 HA GLU 13 HA GLU 13 9.692 7.221 19.179 98 HB2 GLU 13 1HB GLU 13 7.266 7.534 20.995 99 HB3 GLU 13 2HB GLU 13 7.635 6.121 20.015 100 HG2 GLU 13 1HG GLU 13 9.771 5.870 21.314 101 HG3 GLU 13 2HG GLU 13 9.216 7.169 22.368 102 H TYR 14 H TYR 14 8.723 6.870 17.258 103 HA TYR 14 HA TYR 14 6.552 8.768 16.480 104 HB2 TYR 14 1HB TYR 14 8.800 7.486 14.970 105 HB3 TYR 14 2HB TYR 14 7.280 7.700 14.114 106 HD1 TYR 14 HD1 TYR 14 9.610 9.639 16.321 107 HD2 TYR 14 HD2 TYR 14 6.932 9.665 12.971 108 HE1 TYR 14 HE1 TYR 14 10.197 11.997 15.871 109 HE2 TYR 14 HE2 TYR 14 7.519 12.024 12.519 110 HH TYR 14 HH TYR 14 9.930 13.729 14.497 111 H GLU 15 H GLU 15 4.723 8.022 15.409 112 HA GLU 15 HA GLU 15 4.140 5.155 15.965 113 HB2 GLU 15 1HB GLU 15 2.615 6.744 17.038 114 HB3 GLU 15 2HB GLU 15 2.291 7.526 15.498 115 HG2 GLU 15 1HG GLU 15 1.267 5.435 14.665 116 HG3 GLU 15 2HG GLU 15 1.563 4.682 16.231 117 H VAL 16 H VAL 16 3.975 3.746 14.376 118 HA VAL 16 HA VAL 16 3.218 4.782 11.676 119 HB VAL 16 HB VAL 16 5.128 2.505 12.357 120 HG11 VAL 16 1HG1 VAL 16 5.414 2.254 9.939 121 HG12 VAL 16 2HG1 VAL 16 3.745 1.914 10.451 122 HG13 VAL 16 3HG1 VAL 16 4.137 3.461 9.663 123 HG21 VAL 16 1HG2 VAL 16 6.781 3.917 11.174 124 HG22 VAL 16 2HG2 VAL 16 5.541 5.172 10.944 125 HG23 VAL 16 3HG2 VAL 16 6.101 4.765 12.583 126 H LYS 17 H LYS 17 1.583 3.793 10.649 127 HA LYS 17 HA LYS 17 0.105 1.763 12.208 128 HB2 LYS 17 1HB LYS 17 -0.640 3.368 9.730 129 HB3 LYS 17 2HB LYS 17 -1.696 2.193 10.502 130 HG2 LYS 17 1HG LYS 17 -1.689 3.538 12.571 131 HG3 LYS 17 2HG LYS 17 -0.629 4.721 11.792 132 HD2 LYS 17 1HD LYS 17 -2.360 5.123 10.062 133 HD3 LYS 17 2HD LYS 17 -3.420 3.952 10.860 134 HE2 LYS 17 1HE LYS 17 -3.447 5.336 12.896 135 HE3 LYS 17 2HE LYS 17 -2.346 6.491 12.142 136 HZ1 LYS 17 1HZ LYS 17 -4.614 7.213 11.999 137 HZ2 LYS 17 2HZ LYS 17 -4.026 6.925 10.486 138 HZ3 LYS 17 3HZ LYS 17 -5.056 5.846 11.189 139 H VAL 18 H VAL 18 -0.475 -0.250 11.483 140 HA VAL 18 HA VAL 18 0.689 -1.076 8.856 141 HB VAL 18 HB VAL 18 0.243 -2.823 11.313 142 HG11 VAL 18 1HG1 VAL 18 1.473 -4.520 10.049 143 HG12 VAL 18 2HG1 VAL 18 -0.032 -4.039 9.230 144 HG13 VAL 18 3HG1 VAL 18 1.536 -3.427 8.646 145 HG21 VAL 18 1HG2 VAL 18 2.713 -2.878 11.437 146 HG22 VAL 18 2HG2 VAL 18 2.806 -1.732 10.079 147 HG23 VAL 18 3HG2 VAL 18 2.096 -1.221 11.630 148 H ASN 19 H ASN 19 -0.736 -1.647 7.371 149 HA ASN 19 HA ASN 19 -3.569 -1.702 8.110 150 HB2 ASN 19 1HB ASN 19 -2.109 -1.898 5.459 151 HB3 ASN 19 2HB ASN 19 -3.859 -2.012 5.602 152 HD21 ASN 19 1HD2 ASN 19 -2.308 1.533 5.157 153 HD22 ASN 19 2HD2 ASN 19 -1.668 0.016 4.618 154 HA PRO 20 HA PRO 20 -4.184 -5.968 8.626 155 HB2 PRO 20 1HB PRO 20 -6.708 -5.369 7.025 156 HB3 PRO 20 2HB PRO 20 -6.538 -6.305 8.515 157 HG2 PRO 20 1HG PRO 20 -7.450 -3.822 8.710 158 HG3 PRO 20 2HG PRO 20 -6.229 -4.362 9.866 159 HD2 PRO 20 1HD PRO 20 -5.887 -2.649 7.374 160 HD3 PRO 20 2HD PRO 20 -5.130 -2.453 9.007 161 H GLY 21 H GLY 21 -3.462 -7.662 7.455 162 HA2 GLY 21 1HA GLY 21 -3.469 -9.162 5.619 163 HA3 GLY 21 2HA GLY 21 -4.210 -7.932 4.614 164 H THR 22 H THR 22 -1.987 -6.095 5.933 165 HA THR 22 HA THR 22 -0.067 -6.650 3.725 166 HB THR 22 HB THR 22 0.544 -4.303 3.826 167 HG1 THR 22 HG1 THR 22 -0.804 -4.452 6.276 168 HG21 THR 22 1HG2 THR 22 -1.619 -3.238 3.319 169 HG22 THR 22 2HG2 THR 22 -1.516 -4.851 2.576 170 HG23 THR 22 3HG2 THR 22 -2.474 -4.612 4.055 171 H ARG 23 H ARG 23 2.220 -6.044 4.122 172 HA ARG 23 HA ARG 23 2.978 -6.347 6.998 173 HB2 ARG 23 1HB ARG 23 4.418 -7.399 4.540 174 HB3 ARG 23 2HB ARG 23 5.121 -7.361 6.151 175 HG2 ARG 23 1HG ARG 23 3.334 -8.859 6.962 176 HG3 ARG 23 2HG ARG 23 2.663 -8.919 5.312 177 HD2 ARG 23 1HD ARG 23 4.723 -9.874 4.493 178 HD3 ARG 23 2HD ARG 23 5.434 -9.772 6.120 179 HE ARG 23 HE ARG 23 3.041 -11.222 6.330 180 HH11 ARG 23 1HH1 ARG 23 6.192 -11.529 4.805 181 HH12 ARG 23 2HH1 ARG 23 6.194 -13.276 4.875 182 HH21 ARG 23 1HH2 ARG 23 3.057 -13.491 6.415 183 HH22 ARG 23 2HH2 ARG 23 4.419 -14.389 5.785 184 H VAL 24 H VAL 24 4.619 -5.065 7.783 185 HA VAL 24 HA VAL 24 5.654 -2.987 5.900 186 HB VAL 24 HB VAL 24 4.797 -2.613 8.801 187 HG11 VAL 24 1HG1 VAL 24 5.361 -0.256 8.467 188 HG12 VAL 24 2HG1 VAL 24 6.784 -1.312 8.303 189 HG13 VAL 24 3HG1 VAL 24 6.003 -0.639 6.853 190 HG21 VAL 24 1HG2 VAL 24 3.114 -1.085 7.822 191 HG22 VAL 24 2HG2 VAL 24 3.687 -1.503 6.190 192 HG23 VAL 24 3HG2 VAL 24 2.915 -2.743 7.206 193 H GLU 25 H GLU 25 7.785 -2.824 5.807 194 HA GLU 25 HA GLU 25 9.372 -4.044 8.026 195 HB2 GLU 25 1HB GLU 25 9.673 -5.108 5.797 196 HB3 GLU 25 2HB GLU 25 10.165 -3.561 5.124 197 HG2 GLU 25 1HG GLU 25 12.131 -3.515 6.551 198 HG3 GLU 25 2HG GLU 25 11.620 -4.999 7.352 199 H ILE 26 H ILE 26 10.671 -2.827 9.209 200 HA ILE 26 HA ILE 26 11.251 -0.066 8.219 201 HB ILE 26 HB ILE 26 10.839 -0.978 11.099 202 HG12 ILE 26 1HG1 ILE 26 8.992 0.953 10.646 203 HG13 ILE 26 2HG1 ILE 26 9.051 0.204 9.058 204 HG21 ILE 26 1HG2 ILE 26 11.046 1.415 11.637 205 HG22 ILE 26 2HG2 ILE 26 12.538 0.796 10.892 206 HG23 ILE 26 3HG2 ILE 26 11.404 1.773 9.931 207 HD11 ILE 26 1HD1 ILE 26 7.322 -0.803 10.439 208 HD12 ILE 26 2HD1 ILE 26 8.592 -1.991 10.060 209 HD13 ILE 26 3HD1 ILE 26 8.531 -1.234 11.670 210 H GLN 27 H GLN 27 13.303 0.388 7.889 211 HA GLN 27 HA GLN 27 15.354 -1.283 9.263 212 HB2 GLN 27 1HB GLN 27 15.428 -1.211 6.766 213 HB3 GLN 27 2HB GLN 27 15.646 0.532 6.836 214 HG2 GLN 27 1HG GLN 27 17.769 0.248 8.009 215 HG3 GLN 27 2HG GLN 27 17.545 -1.523 7.985 216 HE21 GLN 27 1HE2 GLN 27 19.494 -1.581 5.096 217 HE22 GLN 27 2HE2 GLN 27 19.315 -2.042 6.755 218 H ALA 28 H ALA 28 16.765 -0.457 10.662 219 HA ALA 28 HA ALA 28 16.329 2.384 11.400 220 HB1 ALA 28 1HB ALA 28 17.400 1.766 13.542 221 HB2 ALA 28 2HB ALA 28 16.002 0.726 13.180 222 HB3 ALA 28 3HB ALA 28 17.653 0.115 12.929 223 H LYS 29 H LYS 29 17.907 3.894 11.466 224 HA LYS 29 HA LYS 29 20.591 3.062 10.478 225 HB2 LYS 29 1HB LYS 29 19.332 5.825 10.711 226 HB3 LYS 29 2HB LYS 29 20.961 5.509 10.132 227 HG2 LYS 29 1HG LYS 29 18.431 4.467 8.824 228 HG3 LYS 29 2HG LYS 29 19.334 5.899 8.312 229 HD2 LYS 29 1HD LYS 29 21.347 4.464 7.952 230 HD3 LYS 29 2HD LYS 29 20.380 3.045 8.380 231 HE2 LYS 29 1HE LYS 29 18.864 3.480 6.495 232 HE3 LYS 29 2HE LYS 29 19.763 4.944 6.085 233 HZ1 LYS 29 1HZ LYS 29 20.413 3.098 4.722 234 HZ2 LYS 29 2HZ LYS 29 21.686 3.572 5.658 235 HZ3 LYS 29 3HZ LYS 29 20.846 2.205 6.039 236 H GLY 30 H GLY 30 19.299 2.897 13.290 237 HA2 GLY 30 1HA GLY 30 21.770 3.268 14.709 238 HA3 GLY 30 2HA GLY 30 20.690 4.601 15.068 239 HA PRO 31 HA PRO 31 19.997 0.665 17.703 240 HB2 PRO 31 1HB PRO 31 20.448 2.869 19.763 241 HB3 PRO 31 2HB PRO 31 20.840 1.149 19.879 242 HG2 PRO 31 1HG PRO 31 22.808 2.843 19.321 243 HG3 PRO 31 2HG PRO 31 22.708 1.333 18.408 244 HD2 PRO 31 1HD PRO 31 21.845 4.131 17.589 245 HD3 PRO 31 2HD PRO 31 22.682 2.861 16.608 246 H ALA 32 H ALA 32 17.917 0.218 18.212 247 HA ALA 32 HA ALA 32 16.050 2.391 18.896 248 HB1 ALA 32 1HB ALA 32 14.515 1.827 17.040 249 HB2 ALA 32 2HB ALA 32 16.075 2.443 16.442 250 HB3 ALA 32 3HB ALA 32 15.729 0.699 16.390 251 H GLU 33 H GLU 33 14.040 1.684 19.712 252 HA GLU 33 HA GLU 33 13.887 -1.256 20.223 253 HB2 GLU 33 1HB GLU 33 14.005 0.121 22.278 254 HB3 GLU 33 2HB GLU 33 12.600 1.039 21.755 255 HG2 GLU 33 1HG GLU 33 11.236 -1.020 21.845 256 HG3 GLU 33 2HG GLU 33 12.646 -1.916 22.404 257 H PHE 34 H PHE 34 12.236 -2.402 19.463 258 HA PHE 34 HA PHE 34 10.058 -0.879 18.092 259 HB2 PHE 34 1HB PHE 34 11.379 -3.527 17.424 260 HB3 PHE 34 2HB PHE 34 9.816 -3.077 16.760 261 HD1 PHE 34 HD1 PHE 34 13.357 -1.962 17.007 262 HD2 PHE 34 HD2 PHE 34 9.664 -1.703 14.876 263 HE1 PHE 34 HE1 PHE 34 14.487 -0.704 15.204 264 HE2 PHE 34 HE2 PHE 34 10.790 -0.446 13.070 265 HZ PHE 34 HZ PHE 34 13.204 0.055 13.236 266 H GLU 35 H GLU 35 7.981 -1.298 18.563 267 HA GLU 35 HA GLU 35 7.318 -3.858 19.892 268 HB2 GLU 35 1HB GLU 35 7.647 -2.220 21.737 269 HB3 GLU 35 2HB GLU 35 6.461 -1.153 21.000 270 HG2 GLU 35 1HG GLU 35 4.719 -2.854 21.311 271 HG3 GLU 35 2HG GLU 35 5.903 -3.944 22.027 272 H GLY 36 H GLY 36 5.439 -4.714 19.249 273 HA2 GLY 36 1HA GLY 36 3.018 -3.656 18.710 274 HA3 GLY 36 2HA GLY 36 3.864 -3.225 17.234 275 H GLY 37 H GLY 37 1.624 -4.928 17.297 276 HA2 GLY 37 1HA GLY 37 0.982 -6.845 16.138 277 HA3 GLY 37 2HA GLY 37 2.669 -7.150 15.765 278 H GLY 38 H GLY 38 2.117 -6.636 19.096 279 HA2 GLY 38 1HA GLY 38 1.812 -8.152 20.886 280 HA3 GLY 38 2HA GLY 38 1.650 -9.472 19.743 281 H THR 39 H THR 39 4.291 -7.591 18.866 282 HA THR 39 HA THR 39 6.156 -9.356 20.398 283 HB THR 39 HB THR 39 7.602 -9.506 18.454 284 HG1 THR 39 HG1 THR 39 5.787 -7.603 17.392 285 HG21 THR 39 1HG2 THR 39 6.142 -10.718 16.881 286 HG22 THR 39 2HG2 THR 39 5.736 -11.122 18.567 287 HG23 THR 39 3HG2 THR 39 4.708 -9.996 17.650 288 H ARG 40 H ARG 40 8.425 -8.501 20.440 289 HA ARG 40 HA ARG 40 8.814 -5.689 19.804 290 HB2 ARG 40 1HB ARG 40 9.398 -4.955 22.070 291 HB3 ARG 40 2HB ARG 40 7.711 -5.438 21.979 292 HG2 ARG 40 1HG ARG 40 8.238 -7.572 23.052 293 HG3 ARG 40 2HG ARG 40 9.959 -7.120 23.114 294 HD2 ARG 40 1HD ARG 40 8.886 -6.733 25.236 295 HD3 ARG 40 2HD ARG 40 9.391 -5.195 24.494 296 HE ARG 40 HE ARG 40 7.178 -4.577 24.265 297 HH11 ARG 40 1HH1 ARG 40 7.384 -7.945 25.245 298 HH12 ARG 40 2HH1 ARG 40 5.679 -8.072 25.615 299 HH21 ARG 40 1HH2 ARG 40 4.967 -4.754 24.747 300 HH22 ARG 40 2HH2 ARG 40 4.310 -6.267 25.333 301 H THR 41 H THR 41 11.011 -5.007 20.019 302 HA THR 41 HA THR 41 13.047 -6.814 20.983 303 HB THR 41 HB THR 41 12.475 -7.990 18.862 304 HG1 THR 41 HG1 THR 41 14.991 -6.693 18.582 305 HG21 THR 41 1HG2 THR 41 12.998 -6.902 16.714 306 HG22 THR 41 2HG2 THR 41 11.711 -6.023 17.575 307 HG23 THR 41 3HG2 THR 41 13.373 -5.387 17.568 308 H ARG 42 H ARG 42 15.126 -5.861 21.029 309 HA ARG 42 HA ARG 42 15.407 -3.101 20.107 310 HB2 ARG 42 1HB ARG 42 17.416 -5.155 21.089 311 HB3 ARG 42 2HB ARG 42 17.849 -3.518 20.619 312 HG2 ARG 42 1HG ARG 42 16.358 -2.634 22.389 313 HG3 ARG 42 2HG ARG 42 16.006 -4.307 22.888 314 HD2 ARG 42 1HD ARG 42 18.366 -4.667 23.334 315 HD3 ARG 42 2HD ARG 42 18.714 -2.995 22.840 316 HE ARG 42 HE ARG 42 16.743 -2.902 24.838 317 HH11 ARG 42 1HH1 ARG 42 20.109 -3.841 24.478 318 HH12 ARG 42 2HH1 ARG 42 20.521 -3.466 26.137 319 HH21 ARG 42 1HH2 ARG 42 17.290 -2.419 26.988 320 HH22 ARG 42 2HH2 ARG 42 18.927 -2.661 27.558 321 H LEU 43 H LEU 43 16.886 -2.403 18.473 322 HA LEU 43 HA LEU 43 17.577 -4.446 16.432 323 HB2 LEU 43 1HB LEU 43 15.328 -3.327 15.936 324 HB3 LEU 43 2HB LEU 43 16.234 -1.828 15.700 325 HG LEU 43 HG LEU 43 17.552 -3.018 13.893 326 HD11 LEU 43 1HD1 LEU 43 16.569 -5.067 12.966 327 HD12 LEU 43 2HD1 LEU 43 17.129 -5.304 14.639 328 HD13 LEU 43 3HD1 LEU 43 15.392 -5.106 14.301 329 HD21 LEU 43 1HD2 LEU 43 15.719 -2.817 12.247 330 HD22 LEU 43 2HD2 LEU 43 14.528 -2.824 13.572 331 HD23 LEU 43 3HD2 LEU 43 15.680 -1.475 13.416 332 H ASN 44 H ASN 44 19.453 -4.101 15.392 333 HA ASN 44 HA ASN 44 21.032 -1.751 16.256 334 HB2 ASN 44 1HB ASN 44 21.815 -4.245 14.710 335 HB3 ASN 44 2HB ASN 44 22.922 -2.958 15.167 336 HD21 ASN 44 1HD2 ASN 44 22.505 -5.921 17.645 337 HD22 ASN 44 2HD2 ASN 44 22.325 -5.933 15.923 338 HA PRO 45 HA PRO 45 20.821 0.567 12.562 339 HB2 PRO 45 1HB PRO 45 23.544 1.086 12.139 340 HB3 PRO 45 2HB PRO 45 22.515 1.991 13.255 341 HG2 PRO 45 1HG PRO 45 24.351 -0.370 13.835 342 HG3 PRO 45 2HG PRO 45 24.207 1.150 14.724 343 HD2 PRO 45 1HD PRO 45 22.956 -1.020 15.660 344 HD3 PRO 45 2HD PRO 45 22.086 0.566 15.661 345 H GLY 46 H GLY 46 20.669 -0.017 10.462 346 HA2 GLY 46 1HA GLY 46 21.497 -0.994 8.420 347 HA3 GLY 46 2HA GLY 46 22.545 -2.046 9.354 348 H GLU 47 H GLU 47 20.365 -2.697 11.285 349 HA GLU 47 HA GLU 47 19.292 -4.948 9.746 350 HB2 GLU 47 1HB GLU 47 18.941 -4.182 12.673 351 HB3 GLU 47 2HB GLU 47 18.401 -5.690 11.948 352 HG2 GLU 47 1HG GLU 47 20.690 -6.336 11.468 353 HG3 GLU 47 2HG GLU 47 21.285 -4.783 12.050 354 H SER 48 H SER 48 17.016 -5.594 9.924 355 HA SER 48 HA SER 48 15.170 -3.269 10.198 356 HB2 SER 48 1HB SER 48 13.951 -3.968 8.213 357 HB3 SER 48 2HB SER 48 15.627 -3.639 7.802 358 HG SER 48 HG SER 48 14.555 -5.640 7.045 359 H TYR 49 H TYR 49 12.931 -3.858 10.545 360 HA TYR 49 HA TYR 49 12.515 -6.649 11.473 361 HB2 TYR 49 1HB TYR 49 13.159 -5.210 13.445 362 HB3 TYR 49 2HB TYR 49 11.746 -4.212 13.126 363 HD1 TYR 49 HD1 TYR 49 12.731 -7.759 13.791 364 HD2 TYR 49 HD2 TYR 49 9.712 -4.727 14.109 365 HE1 TYR 49 HE1 TYR 49 11.347 -9.279 15.163 366 HE2 TYR 49 HE2 TYR 49 8.329 -6.247 15.481 367 HH TYR 49 HH TYR 49 8.163 -8.255 16.403 368 H LYS 50 H LYS 50 10.523 -7.465 11.140 369 HA LYS 50 HA LYS 50 8.809 -5.717 9.436 370 HB2 LYS 50 1HB LYS 50 9.136 -8.745 9.498 371 HB3 LYS 50 2HB LYS 50 7.965 -7.896 8.498 372 HG2 LYS 50 1HG LYS 50 9.806 -6.736 7.325 373 HG3 LYS 50 2HG LYS 50 10.978 -7.608 8.322 374 HD2 LYS 50 1HD LYS 50 10.161 -9.757 7.443 375 HD3 LYS 50 2HD LYS 50 8.938 -8.912 6.482 376 HE2 LYS 50 1HE LYS 50 10.704 -7.761 5.213 377 HE3 LYS 50 2HE LYS 50 11.944 -8.544 6.196 378 HZ1 LYS 50 1HZ LYS 50 11.623 -9.670 4.119 379 HZ2 LYS 50 2HZ LYS 50 11.184 -10.662 5.362 380 HZ3 LYS 50 3HZ LYS 50 10.027 -9.929 4.442 381 H PHE 51 H PHE 51 6.640 -5.539 9.740 382 HA PHE 51 HA PHE 51 5.484 -7.125 11.997 383 HB2 PHE 51 1HB PHE 51 4.723 -4.339 11.036 384 HB3 PHE 51 2HB PHE 51 3.826 -5.257 12.234 385 HD1 PHE 51 HD1 PHE 51 6.986 -3.499 11.541 386 HD2 PHE 51 HD2 PHE 51 4.611 -5.482 14.485 387 HE1 PHE 51 HE1 PHE 51 8.446 -2.598 13.322 388 HE2 PHE 51 HE2 PHE 51 6.066 -4.582 16.269 389 HZ PHE 51 HZ PHE 51 7.985 -3.141 15.687 390 H GLU 52 H GLU 52 3.480 -8.058 11.733 391 HA GLU 52 HA GLU 52 2.199 -7.722 9.060 392 HB2 GLU 52 1HB GLU 52 3.430 -9.869 9.080 393 HB3 GLU 52 2HB GLU 52 2.593 -10.350 10.548 394 HG2 GLU 52 1HG GLU 52 0.458 -10.362 9.364 395 HG3 GLU 52 2HG GLU 52 1.250 -9.801 7.892 396 H ASN 53 H ASN 53 0.098 -7.316 9.100 397 HA ASN 53 HA ASN 53 -1.228 -7.405 11.767 398 HB2 ASN 53 1HB ASN 53 -1.082 -5.199 10.657 399 HB3 ASN 53 2HB ASN 53 -1.959 -5.838 9.272 400 HD21 ASN 53 1HD2 ASN 53 -4.321 -4.055 11.501 401 HD22 ASN 53 2HD2 ASN 53 -2.862 -3.646 10.662 402 H LEU 54 H LEU 54 -2.221 -9.265 12.071 403 HA LEU 54 HA LEU 54 -3.801 -10.386 9.804 404 HB2 LEU 54 1HB LEU 54 -2.822 -11.702 12.362 405 HB3 LEU 54 2HB LEU 54 -3.765 -12.500 11.100 406 HG LEU 54 HG LEU 54 -0.956 -11.386 10.773 407 HD11 LEU 54 1HD1 LEU 54 -0.315 -13.752 10.639 408 HD12 LEU 54 2HD1 LEU 54 -1.046 -13.356 12.212 409 HD13 LEU 54 3HD1 LEU 54 -1.994 -14.226 10.982 410 HD21 LEU 54 1HD2 LEU 54 -1.055 -12.522 8.580 411 HD22 LEU 54 2HD2 LEU 54 -2.747 -12.980 8.893 412 HD23 LEU 54 3HD2 LEU 54 -2.310 -11.265 8.706 413 H THR 55 H THR 55 -4.578 -8.151 11.645 414 HA THR 55 HA THR 55 -6.871 -9.456 13.042 415 HB THR 55 HB THR 55 -6.931 -7.616 14.556 416 HG1 THR 55 HG1 THR 55 -5.167 -6.319 12.721 417 HG21 THR 55 1HG2 THR 55 -4.638 -7.507 15.449 418 HG22 THR 55 2HG2 THR 55 -5.052 -9.167 14.961 419 HG23 THR 55 3HG2 THR 55 -4.007 -8.168 13.925 420 H SER 56 H SER 56 -8.653 -7.552 13.364 421 HA SER 56 HA SER 56 -9.527 -7.024 10.579 422 HB2 SER 56 1HB SER 56 -11.742 -6.713 11.542 423 HB3 SER 56 2HB SER 56 -11.059 -8.239 12.079 424 HG SER 56 HG SER 56 -11.323 -5.823 13.465 425 H GLN 57 H GLN 57 -7.677 -5.432 12.651 426 HA GLN 57 HA GLN 57 -8.716 -2.793 11.787 427 HB2 GLN 57 1HB GLN 57 -8.556 -1.833 14.000 428 HB3 GLN 57 2HB GLN 57 -9.616 -3.233 14.083 429 HG2 GLN 57 1HG GLN 57 -7.818 -4.578 15.032 430 HG3 GLN 57 2HG GLN 57 -6.704 -3.189 14.903 431 HE21 GLN 57 1HE2 GLN 57 -7.466 -2.313 18.173 432 HE22 GLN 57 2HE2 GLN 57 -6.271 -2.702 16.980 433 HA PRO 58 HA PRO 58 -4.509 -1.792 11.020 434 HB2 PRO 58 1HB PRO 58 -5.244 0.858 12.304 435 HB3 PRO 58 2HB PRO 58 -4.439 0.555 10.759 436 HG2 PRO 58 1HG PRO 58 -7.005 1.241 10.716 437 HG3 PRO 58 2HG PRO 58 -6.460 -0.070 9.665 438 HD2 PRO 58 1HD PRO 58 -7.862 -0.241 12.367 439 HD3 PRO 58 2HD PRO 58 -8.202 -1.168 10.851 440 H LEU 59 H LEU 59 -2.642 -1.962 12.186 441 HA LEU 59 HA LEU 59 -2.871 -1.733 15.153 442 HB2 LEU 59 1HB LEU 59 -0.891 -3.294 13.453 443 HB3 LEU 59 2HB LEU 59 -0.882 -3.218 15.218 444 HG LEU 59 HG LEU 59 -3.106 -4.413 13.526 445 HD11 LEU 59 1HD1 LEU 59 -2.263 -6.557 14.373 446 HD12 LEU 59 2HD1 LEU 59 -1.039 -5.705 13.403 447 HD13 LEU 59 3HD1 LEU 59 -0.922 -5.711 15.179 448 HD21 LEU 59 1HD2 LEU 59 -3.932 -5.237 15.705 449 HD22 LEU 59 2HD2 LEU 59 -2.614 -4.373 16.532 450 HD23 LEU 59 3HD2 LEU 59 -3.876 -3.458 15.673 451 H ARG 60 H ARG 60 -1.182 -0.778 16.345 452 HA ARG 60 HA ARG 60 0.443 1.147 14.746 453 HB2 ARG 60 1HB ARG 60 -0.443 1.244 17.650 454 HB3 ARG 60 2HB ARG 60 0.633 2.412 16.899 455 HG2 ARG 60 1HG ARG 60 -1.121 3.141 15.394 456 HG3 ARG 60 2HG ARG 60 -2.214 1.878 16.012 457 HD2 ARG 60 1HD ARG 60 -2.312 2.890 18.137 458 HD3 ARG 60 2HD ARG 60 -0.990 4.010 17.740 459 HE ARG 60 HE ARG 60 -2.461 5.321 16.514 460 HH11 ARG 60 1HH1 ARG 60 -4.038 2.371 17.587 461 HH12 ARG 60 2HH1 ARG 60 -5.646 2.942 17.200 462 HH21 ARG 60 1HH2 ARG 60 -4.553 6.051 16.017 463 HH22 ARG 60 2HH2 ARG 60 -5.939 5.024 16.312 464 H ILE 61 H ILE 61 2.621 1.235 14.941 465 HA ILE 61 HA ILE 61 3.864 -0.548 16.992 466 HB ILE 61 HB ILE 61 5.735 -0.934 15.478 467 HG12 ILE 61 1HG1 ILE 61 4.307 0.769 13.428 468 HG13 ILE 61 2HG1 ILE 61 5.627 1.347 14.434 469 HG21 ILE 61 1HG2 ILE 61 4.597 -2.179 13.685 470 HG22 ILE 61 2HG2 ILE 61 3.782 -2.421 15.248 471 HG23 ILE 61 3HG2 ILE 61 3.082 -1.316 14.042 472 HD11 ILE 61 1HD1 ILE 61 6.426 0.686 12.234 473 HD12 ILE 61 2HD1 ILE 61 7.113 -0.369 13.494 474 HD13 ILE 61 3HD1 ILE 61 5.777 -0.954 12.473 475 H ARG 62 H ARG 62 5.695 0.179 18.059 476 HA ARG 62 HA ARG 62 5.984 3.135 18.031 477 HB2 ARG 62 1HB ARG 62 6.849 1.033 20.042 478 HB3 ARG 62 2HB ARG 62 7.224 2.744 20.187 479 HG2 ARG 62 1HG ARG 62 4.986 3.330 20.573 480 HG3 ARG 62 2HG ARG 62 4.376 1.780 19.948 481 HD2 ARG 62 1HD ARG 62 4.202 1.757 22.309 482 HD3 ARG 62 2HD ARG 62 5.520 0.657 21.841 483 HE ARG 62 HE ARG 62 6.466 3.314 22.423 484 HH11 ARG 62 1HH1 ARG 62 5.460 0.278 23.876 485 HH12 ARG 62 2HH1 ARG 62 6.405 0.515 25.328 486 HH21 ARG 62 1HH2 ARG 62 7.689 3.611 24.312 487 HH22 ARG 62 2HH2 ARG 62 7.668 2.401 25.576 488 H LEU 63 H LEU 63 7.717 4.119 17.242 489 HA LEU 63 HA LEU 63 10.194 2.488 16.876 490 HB2 LEU 63 1HB LEU 63 9.380 5.043 15.444 491 HB3 LEU 63 2HB LEU 63 10.836 4.090 15.137 492 HG LEU 63 HG LEU 63 7.981 3.176 14.631 493 HD11 LEU 63 1HD1 LEU 63 8.614 3.375 12.268 494 HD12 LEU 63 2HD1 LEU 63 8.711 4.940 13.108 495 HD13 LEU 63 3HD1 LEU 63 10.197 4.030 12.747 496 HD21 LEU 63 1HD2 LEU 63 9.080 1.255 13.529 497 HD22 LEU 63 2HD2 LEU 63 10.672 1.880 14.025 498 HD23 LEU 63 3HD2 LEU 63 9.507 1.333 15.255 499 H ARG 64 H ARG 64 11.341 2.777 18.697 500 HA ARG 64 HA ARG 64 11.474 5.531 19.827 501 HB2 ARG 64 1HB ARG 64 10.636 3.753 21.332 502 HB3 ARG 64 2HB ARG 64 12.131 2.856 21.110 503 HG2 ARG 64 1HG ARG 64 13.392 4.697 22.159 504 HG3 ARG 64 2HG ARG 64 11.866 5.581 22.404 505 HD2 ARG 64 1HD ARG 64 11.034 3.692 23.734 506 HD3 ARG 64 2HD ARG 64 12.618 2.905 23.554 507 HE ARG 64 HE ARG 64 12.756 5.601 24.617 508 HH11 ARG 64 1HH1 ARG 64 12.340 2.199 25.393 509 HH12 ARG 64 2HH1 ARG 64 12.889 2.380 27.045 510 HH21 ARG 64 1HH2 ARG 64 13.467 5.822 26.762 511 HH22 ARG 64 2HH2 ARG 64 13.526 4.431 27.820 512 H ASN 65 H ASN 65 13.308 6.648 19.874 513 HA ASN 65 HA ASN 65 15.737 5.403 18.754 514 HB2 ASN 65 1HB ASN 65 15.056 7.649 18.002 515 HB3 ASN 65 2HB ASN 65 15.185 8.251 19.649 516 HD21 ASN 65 1HD2 ASN 65 18.291 9.218 18.024 517 HD22 ASN 65 2HD2 ASN 65 16.605 9.608 17.956 518 H LEU 66 H LEU 66 17.122 4.368 19.953 519 HA LEU 66 HA LEU 66 17.092 4.825 22.874 520 HB2 LEU 66 1HB LEU 66 18.461 2.706 21.181 521 HB3 LEU 66 2HB LEU 66 18.487 2.767 22.946 522 HG LEU 66 HG LEU 66 16.015 2.361 21.224 523 HD11 LEU 66 1HD1 LEU 66 16.079 0.080 22.127 524 HD12 LEU 66 2HD1 LEU 66 17.540 0.454 21.181 525 HD13 LEU 66 3HD1 LEU 66 17.607 0.452 22.959 526 HD21 LEU 66 1HD2 LEU 66 14.914 1.908 23.391 527 HD22 LEU 66 2HD2 LEU 66 16.425 2.307 24.243 528 HD23 LEU 66 3HD2 LEU 66 15.557 3.568 23.334 529 H SER 67 H SER 67 18.703 6.103 20.289 530 HA SER 67 HA SER 67 21.437 5.780 21.320 531 HB2 SER 67 1HB SER 67 21.074 5.633 18.921 532 HB3 SER 67 2HB SER 67 20.309 7.214 18.894 533 HG SER 67 HG SER 67 22.455 7.298 18.272 534 H ASP 68 H ASP 68 22.815 7.926 21.007 535 HA ASP 68 HA ASP 68 21.583 9.936 22.796 536 HB2 ASP 68 1HB ASP 68 24.425 9.620 21.751 537 HB3 ASP 68 2HB ASP 68 23.901 10.911 22.823 538 H THR 69 H THR 69 22.087 9.389 19.478 539 HA THR 69 HA THR 69 21.555 12.282 18.942 540 HB THR 69 HB THR 69 22.790 12.090 16.833 541 HG1 THR 69 HG1 THR 69 22.637 9.997 16.224 542 HG21 THR 69 1HG2 THR 69 25.066 11.802 17.731 543 HG22 THR 69 2HG2 THR 69 24.051 12.733 18.858 544 HG23 THR 69 3HG2 THR 69 24.398 11.020 19.183 545 HA PRO 70 HA PRO 70 17.936 11.244 16.767 546 HB2 PRO 70 1HB PRO 70 19.091 12.864 14.468 547 HB3 PRO 70 2HB PRO 70 17.493 12.978 15.216 548 HG2 PRO 70 1HG PRO 70 19.304 14.812 15.856 549 HG3 PRO 70 2HG PRO 70 18.320 14.110 17.144 550 HD2 PRO 70 1HD PRO 70 21.176 13.431 16.326 551 HD3 PRO 70 2HD PRO 70 20.489 13.653 17.986 552 H ILE 71 H ILE 71 17.278 9.624 15.409 553 HA ILE 71 HA ILE 71 19.237 8.627 13.391 554 HB ILE 71 HB ILE 71 18.589 6.316 13.906 555 HG12 ILE 71 1HG1 ILE 71 16.862 7.491 16.096 556 HG13 ILE 71 2HG1 ILE 71 16.269 6.805 14.593 557 HG21 ILE 71 1HG2 ILE 71 19.589 6.120 16.146 558 HG22 ILE 71 2HG2 ILE 71 20.481 7.291 15.148 559 HG23 ILE 71 3HG2 ILE 71 19.360 7.865 16.405 560 HD11 ILE 71 1HD1 ILE 71 16.074 5.213 16.419 561 HD12 ILE 71 2HD1 ILE 71 17.224 4.623 15.196 562 HD13 ILE 71 3HD1 ILE 71 17.824 5.318 16.721 563 H GLU 72 H GLU 72 18.274 7.345 11.660 564 HA GLU 72 HA GLU 72 15.566 8.394 10.992 565 HB2 GLU 72 1HB GLU 72 17.750 7.235 9.213 566 HB3 GLU 72 2HB GLU 72 16.170 7.758 8.645 567 HG2 GLU 72 1HG GLU 72 16.671 10.053 9.440 568 HG3 GLU 72 2HG GLU 72 18.275 9.511 9.929 569 H PHE 73 H PHE 73 13.884 7.070 10.425 570 HA PHE 73 HA PHE 73 14.505 4.149 10.246 571 HB2 PHE 73 1HB PHE 73 11.936 5.520 11.134 572 HB3 PHE 73 2HB PHE 73 12.072 3.798 10.815 573 HD1 PHE 73 HD1 PHE 73 13.152 6.537 13.034 574 HD2 PHE 73 HD2 PHE 73 13.114 2.317 12.372 575 HE1 PHE 73 HE1 PHE 73 13.905 6.167 15.359 576 HE2 PHE 73 HE2 PHE 73 13.864 1.942 14.697 577 HZ PHE 73 HZ PHE 73 14.261 3.870 16.191 578 H ARG 74 H ARG 74 14.154 3.182 8.371 579 HA ARG 74 HA ARG 74 12.627 4.680 6.298 580 HB2 ARG 74 1HB ARG 74 14.918 4.034 5.683 581 HB3 ARG 74 2HB ARG 74 14.565 2.352 6.043 582 HG2 ARG 74 1HG ARG 74 12.933 2.282 4.213 583 HG3 ARG 74 2HG ARG 74 13.266 3.995 3.855 584 HD2 ARG 74 1HD ARG 74 15.570 3.459 3.370 585 HD3 ARG 74 2HD ARG 74 15.272 1.753 3.771 586 HE ARG 74 HE ARG 74 13.423 2.555 1.792 587 HH11 ARG 74 1HH1 ARG 74 16.867 1.983 2.185 588 HH12 ARG 74 2HH1 ARG 74 17.111 1.532 0.512 589 HH21 ARG 74 1HH2 ARG 74 13.752 1.968 -0.377 590 HH22 ARG 74 2HH2 ARG 74 15.348 1.524 -0.939 591 H ILE 75 H ILE 75 10.636 4.068 5.815 592 HA ILE 75 HA ILE 75 9.763 1.403 6.847 593 HB ILE 75 HB ILE 75 8.186 4.007 6.660 594 HG12 ILE 75 1HG1 ILE 75 8.142 3.260 9.269 595 HG13 ILE 75 2HG1 ILE 75 9.741 2.699 8.808 596 HG21 ILE 75 1HG2 ILE 75 6.404 2.750 7.805 597 HG22 ILE 75 2HG2 ILE 75 6.779 2.031 6.222 598 HG23 ILE 75 3HG2 ILE 75 7.384 1.269 7.711 599 HD11 ILE 75 1HD1 ILE 75 9.827 4.960 9.698 600 HD12 ILE 75 2HD1 ILE 75 10.305 4.943 7.982 601 HD13 ILE 75 3HD1 ILE 75 8.685 5.512 8.451 602 H ARG 76 H ARG 76 9.023 -0.004 5.437 603 HA ARG 76 HA ARG 76 7.909 1.038 2.868 604 HB2 ARG 76 1HB ARG 76 10.185 0.109 2.529 605 HB3 ARG 76 2HB ARG 76 9.664 -1.418 3.225 606 HG2 ARG 76 1HG ARG 76 8.095 -1.758 1.389 607 HG3 ARG 76 2HG ARG 76 8.544 -0.181 0.698 608 HD2 ARG 76 1HD ARG 76 10.788 -0.926 0.340 609 HD3 ARG 76 2HD ARG 76 10.445 -2.465 1.164 610 HE ARG 76 HE ARG 76 9.227 -3.193 -0.693 611 HH11 ARG 76 1HH1 ARG 76 10.404 0.088 -1.132 612 HH12 ARG 76 2HH1 ARG 76 10.113 0.095 -2.857 613 HH21 ARG 76 1HH2 ARG 76 8.854 -3.172 -2.932 614 HH22 ARG 76 2HH2 ARG 76 9.236 -1.750 -3.877 615 H GLU 77 H GLU 77 5.965 0.310 2.346 616 HA GLU 77 HA GLU 77 4.893 -1.984 3.929 617 HB2 GLU 77 1HB GLU 77 3.723 0.162 4.309 618 HB3 GLU 77 2HB GLU 77 3.423 0.320 2.584 619 HG2 GLU 77 1HG GLU 77 2.034 -1.708 2.632 620 HG3 GLU 77 2HG GLU 77 2.343 -1.881 4.358 621 H GLU 78 H GLU 78 4.361 -3.793 2.938 622 HA GLU 78 HA GLU 78 3.939 -3.696 -0.018 623 HB2 GLU 78 1HB GLU 78 5.491 -5.783 1.567 624 HB3 GLU 78 2HB GLU 78 5.056 -5.942 -0.129 625 HG2 GLU 78 1HG GLU 78 6.380 -3.912 -0.641 626 HG3 GLU 78 2HG GLU 78 6.844 -3.807 1.056
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