NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19274 | 2ekh | 10272 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 7.204 -12.657 23.402 2 HA2 GLY 1 1HA GLY 1 7.765 -13.667 21.071 3 HA3 GLY 1 2HA GLY 1 6.821 -12.294 20.512 4 H SER 2 H SER 2 8.163 -10.842 19.679 5 HA SER 2 HA SER 2 10.208 -9.669 21.332 6 HB2 SER 2 1HB SER 2 10.932 -11.262 18.873 7 HB3 SER 2 2HB SER 2 11.985 -10.012 19.532 8 HG SER 2 HG SER 2 12.262 -11.194 21.357 9 H SER 3 H SER 3 9.695 -7.599 21.086 10 HA SER 3 HA SER 3 8.633 -6.608 18.579 11 HB2 SER 3 1HB SER 3 9.005 -5.443 21.324 12 HB3 SER 3 2HB SER 3 8.659 -4.392 19.951 13 HG SER 3 HG SER 3 7.062 -6.656 20.328 14 H GLY 4 H GLY 4 10.204 -6.484 17.052 15 HA2 GLY 4 1HA GLY 4 12.389 -4.591 17.603 16 HA3 GLY 4 2HA GLY 4 12.763 -6.158 16.899 17 H SER 5 H SER 5 10.338 -3.605 16.316 18 HA SER 5 HA SER 5 11.339 -3.248 13.616 19 HB2 SER 5 1HB SER 5 9.311 -3.803 12.485 20 HB3 SER 5 2HB SER 5 9.674 -5.163 13.548 21 HG SER 5 HG SER 5 7.542 -3.465 13.561 22 H SER 6 H SER 6 10.402 -1.394 12.540 23 HA SER 6 HA SER 6 9.696 0.679 14.453 24 HB2 SER 6 1HB SER 6 9.995 2.201 12.468 25 HB3 SER 6 2HB SER 6 11.428 1.265 12.893 26 HG SER 6 HG SER 6 10.017 1.277 10.593 27 H GLY 7 H GLY 7 7.733 -1.365 13.829 28 HA2 GLY 7 1HA GLY 7 5.503 -1.559 13.313 29 HA3 GLY 7 2HA GLY 7 5.427 0.164 13.649 30 H ALA 8 H ALA 8 6.085 -2.213 11.119 31 HA ALA 8 HA ALA 8 5.177 -0.223 9.145 32 HB1 ALA 8 3HB ALA 8 6.808 -2.062 7.794 33 HB2 ALA 8 1HB ALA 8 7.144 -0.363 8.129 34 HB3 ALA 8 2HB ALA 8 7.684 -1.609 9.256 35 H THR 9 H THR 9 4.475 -1.332 7.053 36 HA THR 9 HA THR 9 3.192 -3.921 7.581 37 HB THR 9 HB THR 9 1.809 -1.467 6.486 38 HG1 THR 9 1HG THR 9 1.552 -3.042 8.828 39 HG21 THR 9 3HG2 THR 9 1.384 -4.161 5.766 40 HG22 THR 9 1HG2 THR 9 0.373 -2.767 5.387 41 HG23 THR 9 2HG2 THR 9 0.065 -3.710 6.846 42 H SER 10 H SER 10 3.407 -5.330 5.959 43 HA SER 10 HA SER 10 4.715 -4.448 3.519 44 HB2 SER 10 1HB SER 10 5.209 -6.733 3.116 45 HB3 SER 10 2HB SER 10 5.386 -6.521 4.858 46 HG SER 10 HG SER 10 3.621 -7.688 5.201 47 H TYR 11 H TYR 11 3.783 -4.290 1.570 48 HA TYR 11 HA TYR 11 0.974 -5.151 1.329 49 HB2 TYR 11 1HB TYR 11 2.371 -2.827 -0.012 50 HB3 TYR 11 2HB TYR 11 0.709 -3.317 -0.318 51 HD1 TYR 11 2HD TYR 11 2.951 -2.267 2.474 52 HD2 TYR 11 1HD TYR 11 -1.003 -2.341 0.905 53 HE1 TYR 11 2HE TYR 11 2.196 -0.839 4.327 54 HE2 TYR 11 1HE TYR 11 -1.769 -0.911 2.754 55 HH TYR 11 HH TYR 11 -0.007 -0.387 5.524 56 H MET 12 H MET 12 0.290 -5.569 -0.962 57 HA MET 12 HA MET 12 2.437 -6.999 -2.384 58 HB2 MET 12 1HB MET 12 -0.426 -7.639 -1.873 59 HB3 MET 12 2HB MET 12 0.269 -8.164 -3.401 60 HG2 MET 12 1HG MET 12 1.255 -8.866 -0.646 61 HG3 MET 12 2HG MET 12 0.407 -9.929 -1.766 62 HE1 MET 12 3HE MET 12 2.542 -10.987 -4.337 63 HE2 MET 12 1HE MET 12 1.093 -10.001 -4.140 64 HE3 MET 12 2HE MET 12 2.574 -9.276 -4.765 65 H THR 13 H THR 13 2.998 -6.236 -4.307 66 HA THR 13 HA THR 13 1.592 -4.050 -5.505 67 HB THR 13 HB THR 13 3.355 -3.879 -7.025 68 HG1 THR 13 1HG THR 13 4.204 -5.584 -7.959 69 HG21 THR 13 3HG2 THR 13 4.614 -5.265 -4.656 70 HG22 THR 13 1HG2 THR 13 4.087 -3.582 -4.671 71 HG23 THR 13 2HG2 THR 13 5.388 -4.107 -5.739 72 H CYS 14 H CYS 14 0.064 -4.095 -7.023 73 HA CYS 14 HA CYS 14 -0.455 -6.653 -8.389 74 HB2 CYS 14 1HB CYS 14 -2.251 -5.927 -6.845 75 HB3 CYS 14 2HB CYS 14 -2.419 -4.438 -7.766 76 HG CYS 14 HG CYS 14 -3.204 -7.603 -8.777 77 H SER 15 H SER 15 0.635 -3.526 -8.828 78 HA SER 15 HA SER 15 0.321 -3.771 -11.724 79 HB2 SER 15 1HB SER 15 -0.767 -1.570 -10.029 80 HB3 SER 15 2HB SER 15 -0.072 -1.140 -11.592 81 HG SER 15 HG SER 15 -1.991 -1.675 -12.285 82 H ALA 16 H ALA 16 2.140 -3.292 -12.785 83 HA ALA 16 HA ALA 16 4.542 -2.765 -11.428 84 HB1 ALA 16 3HB ALA 16 5.151 -2.099 -13.981 85 HB2 ALA 16 1HB ALA 16 5.087 -3.753 -13.371 86 HB3 ALA 16 2HB ALA 16 3.701 -3.074 -14.225 87 H TYR 17 H TYR 17 5.108 -0.926 -10.481 88 HA TYR 17 HA TYR 17 4.041 1.607 -11.468 89 HB2 TYR 17 1HB TYR 17 3.775 1.549 -9.165 90 HB3 TYR 17 2HB TYR 17 5.298 0.706 -8.905 91 HD1 TYR 17 2HD TYR 17 7.434 1.957 -8.988 92 HD2 TYR 17 1HD TYR 17 3.676 3.936 -9.229 93 HE1 TYR 17 2HE TYR 17 8.531 4.092 -8.451 94 HE2 TYR 17 1HE TYR 17 4.762 6.077 -8.694 95 HH TYR 17 HH TYR 17 6.860 7.125 -8.684 96 H GLN 18 H GLN 18 5.300 3.301 -12.169 97 HA GLN 18 HA GLN 18 8.091 2.617 -12.801 98 HB2 GLN 18 1HB GLN 18 6.482 3.045 -14.703 99 HB3 GLN 18 2HB GLN 18 6.392 4.713 -14.153 100 HG2 GLN 18 1HG GLN 18 8.935 4.737 -14.393 101 HG3 GLN 18 2HG GLN 18 8.731 3.248 -15.315 102 HE21 GLN 18 1HE2 GLN 18 9.321 6.321 -15.759 103 HE22 GLN 18 2HE2 GLN 18 8.457 6.637 -17.221 104 H LYS 19 H LYS 19 9.627 3.670 -11.747 105 HA LYS 19 HA LYS 19 9.065 5.744 -9.902 106 HB2 LYS 19 1HB LYS 19 11.580 5.907 -9.749 107 HB3 LYS 19 2HB LYS 19 10.906 4.315 -9.427 108 HG2 LYS 19 1HG LYS 19 11.686 3.438 -11.427 109 HG3 LYS 19 2HG LYS 19 11.876 5.031 -12.164 110 HD2 LYS 19 1HD LYS 19 13.499 4.211 -9.776 111 HD3 LYS 19 2HD LYS 19 13.992 3.776 -11.414 112 HE2 LYS 19 1HE LYS 19 13.345 6.607 -10.647 113 HE3 LYS 19 2HE LYS 19 14.954 5.925 -10.411 114 HZ1 LYS 19 3HZ LYS 19 13.618 5.795 -13.041 115 HZ2 LYS 19 1HZ LYS 19 15.267 5.679 -12.684 116 HZ3 LYS 19 2HZ LYS 19 14.482 7.172 -12.571 117 H VAL 20 H VAL 20 9.230 7.916 -10.052 118 HA VAL 20 HA VAL 20 9.734 9.024 -12.719 119 HB VAL 20 HB VAL 20 8.475 10.357 -10.317 120 HG11 VAL 20 1HG1 VAL 20 9.301 12.088 -11.631 121 HG12 VAL 20 2HG1 VAL 20 8.975 11.231 -13.139 122 HG13 VAL 20 3HG1 VAL 20 7.642 11.908 -12.202 123 HG21 VAL 20 3HG2 VAL 20 6.558 10.074 -12.296 124 HG22 VAL 20 1HG2 VAL 20 7.410 8.530 -12.300 125 HG23 VAL 20 2HG2 VAL 20 6.679 9.130 -10.812 126 H GLN 21 H GLN 21 10.988 8.962 -9.493 127 HA GLN 21 HA GLN 21 13.065 10.893 -10.291 128 HB2 GLN 21 1HB GLN 21 12.067 10.414 -7.480 129 HB3 GLN 21 2HB GLN 21 13.242 11.619 -7.989 130 HG2 GLN 21 1HG GLN 21 11.233 12.390 -9.529 131 HG3 GLN 21 2HG GLN 21 10.292 11.606 -8.260 132 HE21 GLN 21 1HE2 GLN 21 12.094 14.348 -9.166 133 HE22 GLN 21 2HE2 GLN 21 11.970 15.213 -7.676 134 H ASP 22 H ASP 22 15.192 10.480 -9.592 135 HA ASP 22 HA ASP 22 16.103 7.895 -9.781 136 HB2 ASP 22 1HB ASP 22 17.403 10.167 -8.263 137 HB3 ASP 22 2HB ASP 22 18.220 8.707 -8.814 138 H SER 23 H SER 23 14.797 9.520 -7.013 139 HA SER 23 HA SER 23 15.830 7.733 -5.043 140 HB2 SER 23 1HB SER 23 13.629 9.790 -5.044 141 HB3 SER 23 2HB SER 23 13.924 8.760 -3.643 142 HG SER 23 HG SER 23 16.082 10.123 -4.795 143 H GLU 24 H GLU 24 12.692 8.040 -6.683 144 HA GLU 24 HA GLU 24 11.435 5.885 -5.385 145 HB2 GLU 24 1HB GLU 24 10.940 7.154 -8.079 146 HB3 GLU 24 2HB GLU 24 9.903 5.911 -7.393 147 HG2 GLU 24 1HG GLU 24 9.122 7.300 -5.717 148 HG3 GLU 24 2HG GLU 24 10.494 8.399 -5.850 149 H ILE 25 H ILE 25 10.758 3.840 -6.434 150 HA ILE 25 HA ILE 25 12.734 2.790 -8.333 151 HB ILE 25 HB ILE 25 13.677 1.896 -6.424 152 HG12 ILE 25 1HG1 ILE 25 12.736 0.156 -8.121 153 HG13 ILE 25 2HG1 ILE 25 13.367 -0.407 -6.577 154 HG21 ILE 25 1HG2 ILE 25 10.969 2.163 -5.340 155 HG22 ILE 25 2HG2 ILE 25 11.854 0.756 -4.753 156 HG23 ILE 25 3HG2 ILE 25 12.534 2.371 -4.553 157 HD11 ILE 25 3HD1 ILE 25 10.521 0.221 -6.516 158 HD12 ILE 25 1HD1 ILE 25 10.948 -1.069 -7.640 159 HD13 ILE 25 2HD1 ILE 25 11.387 -1.201 -5.937 160 H SER 26 H SER 26 11.976 1.253 -9.742 161 HA SER 26 HA SER 26 9.068 0.909 -9.774 162 HB2 SER 26 1HB SER 26 9.348 0.288 -12.128 163 HB3 SER 26 2HB SER 26 10.129 1.835 -11.801 164 HG SER 26 HG SER 26 11.312 0.093 -13.041 165 H PHE 27 H PHE 27 8.101 -1.015 -9.513 166 HA PHE 27 HA PHE 27 9.799 -3.418 -9.432 167 HB2 PHE 27 1HB PHE 27 8.117 -4.203 -7.625 168 HB3 PHE 27 2HB PHE 27 9.376 -3.064 -7.161 169 HD1 PHE 27 1HD PHE 27 5.823 -3.247 -8.222 170 HD2 PHE 27 2HD PHE 27 8.822 -1.047 -6.152 171 HE1 PHE 27 1HE PHE 27 4.104 -1.699 -7.383 172 HE2 PHE 27 2HE PHE 27 7.108 0.504 -5.310 173 HZ PHE 27 HZ PHE 27 4.745 0.179 -5.924 174 HA PRO 28 HA PRO 28 6.921 -5.266 -12.187 175 HB2 PRO 28 1HB PRO 28 7.170 -7.877 -11.486 176 HB3 PRO 28 2HB PRO 28 8.418 -6.999 -12.379 177 HG2 PRO 28 1HG PRO 28 8.267 -7.626 -9.455 178 HG3 PRO 28 2HG PRO 28 9.659 -7.720 -10.549 179 HD2 PRO 28 1HD PRO 28 9.276 -5.644 -8.853 180 HD3 PRO 28 2HD PRO 28 10.062 -5.453 -10.434 181 H ALA 29 H ALA 29 4.980 -6.675 -12.261 182 HA ALA 29 HA ALA 29 3.294 -6.147 -9.947 183 HB1 ALA 29 3HB ALA 29 1.728 -7.408 -11.849 184 HB2 ALA 29 1HB ALA 29 1.870 -5.669 -11.589 185 HB3 ALA 29 2HB ALA 29 2.879 -6.466 -12.797 186 H GLY 30 H GLY 30 3.710 -7.646 -8.388 187 HA2 GLY 30 1HA GLY 30 2.547 -9.905 -7.932 188 HA3 GLY 30 2HA GLY 30 3.660 -10.485 -9.162 189 H VAL 31 H VAL 31 4.512 -8.026 -6.820 190 HA VAL 31 HA VAL 31 6.148 -9.994 -5.369 191 HB VAL 31 HB VAL 31 7.900 -8.156 -5.166 192 HG11 VAL 31 1HG1 VAL 31 7.301 -9.661 -7.684 193 HG12 VAL 31 2HG1 VAL 31 8.725 -8.624 -7.573 194 HG13 VAL 31 3HG1 VAL 31 8.530 -9.977 -6.459 195 HG21 VAL 31 3HG2 VAL 31 7.868 -6.628 -7.232 196 HG22 VAL 31 1HG2 VAL 31 6.146 -7.003 -7.308 197 HG23 VAL 31 2HG2 VAL 31 6.815 -6.215 -5.879 198 H GLU 32 H GLU 32 7.038 -8.998 -3.291 199 HA GLU 32 HA GLU 32 4.882 -7.446 -2.025 200 HB2 GLU 32 1HB GLU 32 4.998 -9.498 -0.906 201 HB3 GLU 32 2HB GLU 32 6.753 -9.551 -0.986 202 HG2 GLU 32 1HG GLU 32 5.489 -7.363 0.569 203 HG3 GLU 32 2HG GLU 32 5.477 -8.989 1.248 204 H VAL 33 H VAL 33 5.382 -5.738 -0.633 205 HA VAL 33 HA VAL 33 8.176 -4.863 -0.524 206 HB VAL 33 HB VAL 33 7.452 -2.519 -1.037 207 HG11 VAL 33 1HG1 VAL 33 8.209 -2.872 -3.100 208 HG12 VAL 33 2HG1 VAL 33 8.125 -4.600 -2.750 209 HG13 VAL 33 3HG1 VAL 33 6.771 -3.793 -3.542 210 HG21 VAL 33 3HG2 VAL 33 5.008 -3.710 -2.299 211 HG22 VAL 33 1HG2 VAL 33 4.984 -3.145 -0.628 212 HG23 VAL 33 2HG2 VAL 33 5.361 -2.021 -1.934 213 H GLN 34 H GLN 34 8.641 -3.383 1.170 214 HA GLN 34 HA GLN 34 6.663 -3.479 3.341 215 HB2 GLN 34 1HB GLN 34 9.050 -4.467 3.558 216 HB3 GLN 34 2HB GLN 34 9.564 -2.791 3.706 217 HG2 GLN 34 1HG GLN 34 8.190 -2.493 5.660 218 HG3 GLN 34 2HG GLN 34 7.525 -4.115 5.478 219 HE21 GLN 34 1HE2 GLN 34 9.323 -5.841 5.328 220 HE22 GLN 34 2HE2 GLN 34 10.559 -5.721 6.528 221 H VAL 35 H VAL 35 5.648 -1.672 3.883 222 HA VAL 35 HA VAL 35 6.462 0.857 2.744 223 HB VAL 35 HB VAL 35 4.108 0.029 4.430 224 HG11 VAL 35 1HG1 VAL 35 4.268 2.165 5.216 225 HG12 VAL 35 2HG1 VAL 35 5.115 2.749 3.782 226 HG13 VAL 35 3HG1 VAL 35 3.374 2.471 3.727 227 HG21 VAL 35 3HG2 VAL 35 4.051 -0.618 2.077 228 HG22 VAL 35 1HG2 VAL 35 2.838 0.616 2.421 229 HG23 VAL 35 2HG2 VAL 35 4.336 1.056 1.601 230 H LEU 36 H LEU 36 8.205 1.734 3.717 231 HA LEU 36 HA LEU 36 8.696 1.562 6.522 232 HB2 LEU 36 1HB LEU 36 9.921 3.439 4.508 233 HB3 LEU 36 2HB LEU 36 10.564 3.041 6.100 234 HG LEU 36 HG LEU 36 10.251 1.022 3.885 235 HD11 LEU 36 1HD1 LEU 36 12.282 3.084 4.310 236 HD12 LEU 36 2HD1 LEU 36 11.910 2.132 2.874 237 HD13 LEU 36 3HD1 LEU 36 12.928 1.451 4.143 238 HD21 LEU 36 3HD2 LEU 36 11.343 1.014 6.646 239 HD22 LEU 36 1HD2 LEU 36 12.184 0.061 5.422 240 HD23 LEU 36 2HD2 LEU 36 10.481 -0.247 5.762 241 H GLU 37 H GLU 37 8.056 4.402 4.454 242 HA GLU 37 HA GLU 37 6.837 5.704 6.799 243 HB2 GLU 37 1HB GLU 37 8.551 6.727 4.590 244 HB3 GLU 37 2HB GLU 37 7.308 7.799 5.220 245 HG2 GLU 37 1HG GLU 37 9.114 8.366 6.511 246 HG3 GLU 37 2HG GLU 37 8.308 7.176 7.532 247 H LYS 38 H LYS 38 5.334 7.604 5.934 248 HA LYS 38 HA LYS 38 3.763 6.823 3.625 249 HB2 LYS 38 1HB LYS 38 2.649 6.780 6.431 250 HB3 LYS 38 2HB LYS 38 1.639 6.844 4.992 251 HG2 LYS 38 1HG LYS 38 2.726 4.719 4.241 252 HG3 LYS 38 2HG LYS 38 3.504 4.637 5.823 253 HD2 LYS 38 1HD LYS 38 1.430 4.418 6.938 254 HD3 LYS 38 2HD LYS 38 0.523 4.881 5.496 255 HE2 LYS 38 1HE LYS 38 1.387 2.812 4.390 256 HE3 LYS 38 2HE LYS 38 2.080 2.339 5.940 257 HZ1 LYS 38 3HZ LYS 38 0.131 1.447 6.440 258 HZ2 LYS 38 1HZ LYS 38 -0.574 2.041 5.022 259 HZ3 LYS 38 2HZ LYS 38 -0.568 2.987 6.423 260 H GLN 39 H GLN 39 3.220 8.609 2.570 261 HA GLN 39 HA GLN 39 3.382 11.176 3.939 262 HB2 GLN 39 1HB GLN 39 3.130 10.448 1.019 263 HB3 GLN 39 2HB GLN 39 3.154 12.103 1.613 264 HG2 GLN 39 1HG GLN 39 5.386 11.321 2.750 265 HG3 GLN 39 2HG GLN 39 5.348 10.104 1.476 266 HE21 GLN 39 1HE2 GLN 39 6.809 10.729 0.041 267 HE22 GLN 39 2HE2 GLN 39 6.908 12.297 -0.677 268 H GLU 40 H GLU 40 1.728 12.796 3.685 269 HA GLU 40 HA GLU 40 -0.912 11.676 3.989 270 HB2 GLU 40 1HB GLU 40 0.266 14.421 4.274 271 HB3 GLU 40 2HB GLU 40 -1.479 14.207 4.224 272 HG2 GLU 40 1HG GLU 40 0.455 13.109 6.242 273 HG3 GLU 40 2HG GLU 40 -0.840 14.277 6.501 274 H SER 41 H SER 41 0.792 12.203 1.333 275 HA SER 41 HA SER 41 -1.360 13.465 -0.208 276 HB2 SER 41 1HB SER 41 1.554 12.953 -0.781 277 HB3 SER 41 2HB SER 41 0.423 13.382 -2.065 278 HG SER 41 HG SER 41 1.486 15.211 -1.149 279 H GLY 42 H GLY 42 0.148 10.431 0.406 280 HA2 GLY 42 1HA GLY 42 -1.320 8.511 -0.219 281 HA3 GLY 42 2HA GLY 42 -1.386 9.234 -1.820 282 H TRP 43 H TRP 43 1.622 9.907 -1.081 283 HA TRP 43 HA TRP 43 2.640 7.503 -2.384 284 HB2 TRP 43 1HB TRP 43 3.865 10.214 -1.855 285 HB3 TRP 43 2HB TRP 43 4.759 8.872 -2.565 286 HD1 TRP 43 HD TRP 43 1.776 11.191 -3.343 287 HE1 TRP 43 1HE TRP 43 1.472 11.280 -5.897 288 HE3 TRP 43 3HE TRP 43 5.253 7.696 -4.696 289 HZ2 TRP 43 2HZ TRP 43 2.561 10.033 -8.183 290 HZ3 TRP 43 3HZ TRP 43 5.560 7.202 -7.087 291 HH2 TRP 43 HH TRP 43 4.240 8.347 -8.793 292 H TRP 44 H TRP 44 3.377 5.900 -1.172 293 HA TRP 44 HA TRP 44 4.508 6.523 1.470 294 HB2 TRP 44 1HB TRP 44 3.486 3.866 0.448 295 HB3 TRP 44 2HB TRP 44 3.996 4.231 2.094 296 HD1 TRP 44 HD TRP 44 2.284 7.196 1.676 297 HE1 TRP 44 1HE TRP 44 -0.226 7.064 2.229 298 HE3 TRP 44 3HE TRP 44 1.665 2.127 1.437 299 HZ2 TRP 44 2HZ TRP 44 -2.207 5.075 2.525 300 HZ3 TRP 44 3HZ TRP 44 -0.569 1.190 1.868 301 HH2 TRP 44 HH TRP 44 -2.464 2.635 2.401 302 H TYR 45 H TYR 45 6.468 5.608 2.122 303 HA TYR 45 HA TYR 45 8.300 5.069 -0.059 304 HB2 TYR 45 1HB TYR 45 8.754 6.567 1.996 305 HB3 TYR 45 2HB TYR 45 9.024 5.059 2.862 306 HD1 TYR 45 1HD TYR 45 9.982 6.163 -0.577 307 HD2 TYR 45 2HD TYR 45 11.292 4.835 3.246 308 HE1 TYR 45 1HE TYR 45 12.301 6.115 -1.395 309 HE2 TYR 45 2HE TYR 45 13.615 4.785 2.439 310 HH TYR 45 HH TYR 45 14.765 6.305 0.047 311 H VAL 46 H VAL 46 8.270 3.052 -0.830 312 HA VAL 46 HA VAL 46 8.053 0.805 1.047 313 HB VAL 46 HB VAL 46 7.870 -0.502 -1.204 314 HG11 VAL 46 1HG1 VAL 46 5.408 0.036 -1.278 315 HG12 VAL 46 2HG1 VAL 46 6.040 -0.429 0.303 316 HG13 VAL 46 3HG1 VAL 46 5.723 1.268 -0.057 317 HG21 VAL 46 3HG2 VAL 46 8.481 1.711 -2.427 318 HG22 VAL 46 1HG2 VAL 46 7.249 0.650 -3.110 319 HG23 VAL 46 2HG2 VAL 46 6.773 2.091 -2.212 320 H ARG 47 H ARG 47 9.401 -1.118 0.587 321 HA ARG 47 HA ARG 47 12.036 -0.389 -0.506 322 HB2 ARG 47 1HB ARG 47 12.234 -0.369 1.897 323 HB3 ARG 47 2HB ARG 47 11.436 -1.931 2.020 324 HG2 ARG 47 1HG ARG 47 13.302 -3.033 0.997 325 HG3 ARG 47 2HG ARG 47 14.079 -1.486 0.653 326 HD2 ARG 47 1HD ARG 47 14.054 -1.084 3.158 327 HD3 ARG 47 2HD ARG 47 13.613 -2.783 3.326 328 HE ARG 47 HE ARG 47 16.197 -1.717 2.639 329 HH11 ARG 47 1HH1 ARG 47 14.097 -4.490 2.482 330 HH12 ARG 47 2HH1 ARG 47 15.394 -5.626 2.315 331 HH21 ARG 47 1HH2 ARG 47 17.913 -3.204 2.421 332 HH22 ARG 47 2HH2 ARG 47 17.565 -4.894 2.281 333 H PHE 48 H PHE 48 12.659 -1.677 -2.100 334 HA PHE 48 HA PHE 48 11.516 -4.389 -2.240 335 HB2 PHE 48 1HB PHE 48 10.772 -2.837 -4.048 336 HB3 PHE 48 2HB PHE 48 12.451 -2.682 -4.554 337 HD1 PHE 48 2HD PHE 48 10.456 -5.653 -3.520 338 HD2 PHE 48 1HD PHE 48 12.661 -3.714 -6.601 339 HE1 PHE 48 2HE PHE 48 10.205 -7.642 -4.946 340 HE2 PHE 48 1HE PHE 48 12.413 -5.699 -8.033 341 HZ PHE 48 HZ PHE 48 11.184 -7.667 -7.205 342 H GLY 49 H GLY 49 13.156 -5.463 -1.169 343 HA2 GLY 49 1HA GLY 49 15.091 -6.724 -1.157 344 HA3 GLY 49 2HA GLY 49 15.480 -6.064 -2.739 345 H GLU 50 H GLU 50 16.975 -4.483 -2.901 346 HA GLU 50 HA GLU 50 18.080 -3.445 -0.374 347 HB2 GLU 50 1HB GLU 50 19.534 -4.994 -1.770 348 HB3 GLU 50 2HB GLU 50 19.584 -3.714 -2.974 349 HG2 GLU 50 1HG GLU 50 20.719 -2.249 -1.499 350 HG3 GLU 50 2HG GLU 50 20.446 -3.318 -0.124 351 H LEU 51 H LEU 51 15.915 -2.343 -2.099 352 HA LEU 51 HA LEU 51 17.066 0.332 -2.408 353 HB2 LEU 51 1HB LEU 51 15.272 -0.967 -4.452 354 HB3 LEU 51 2HB LEU 51 15.904 0.677 -4.513 355 HG LEU 51 HG LEU 51 17.707 -1.729 -4.538 356 HD11 LEU 51 1HD1 LEU 51 16.732 -0.270 -6.979 357 HD12 LEU 51 2HD1 LEU 51 16.014 -1.776 -6.408 358 HD13 LEU 51 3HD1 LEU 51 17.707 -1.737 -6.900 359 HD21 LEU 51 3HD2 LEU 51 18.019 1.167 -5.306 360 HD22 LEU 51 1HD2 LEU 51 19.203 -0.084 -5.686 361 HD23 LEU 51 2HD2 LEU 51 18.837 0.301 -4.004 362 H GLU 52 H GLU 52 15.547 2.048 -2.232 363 HA GLU 52 HA GLU 52 12.879 1.287 -1.272 364 HB2 GLU 52 1HB GLU 52 14.793 3.176 0.106 365 HB3 GLU 52 2HB GLU 52 13.088 3.034 0.511 366 HG2 GLU 52 1HG GLU 52 13.953 1.640 2.072 367 HG3 GLU 52 2HG GLU 52 13.723 0.485 0.761 368 H GLY 53 H GLY 53 11.342 2.363 -2.314 369 HA2 GLY 53 1HA GLY 53 11.931 5.084 -3.279 370 HA3 GLY 53 2HA GLY 53 11.244 3.892 -4.372 371 H TRP 54 H TRP 54 10.016 6.341 -3.830 372 HA TRP 54 HA TRP 54 7.875 5.802 -1.934 373 HB2 TRP 54 1HB TRP 54 8.446 8.217 -3.665 374 HB3 TRP 54 2HB TRP 54 7.130 8.105 -2.499 375 HD1 TRP 54 HD TRP 54 10.928 8.489 -2.701 376 HE1 TRP 54 1HE TRP 54 11.803 9.247 -0.402 377 HE3 TRP 54 3HE TRP 54 6.615 8.023 0.004 378 HZ2 TRP 54 2HZ TRP 54 10.798 9.601 2.212 379 HZ3 TRP 54 3HZ TRP 54 6.656 8.590 2.397 380 HH2 TRP 54 HH TRP 54 8.706 9.362 3.477 381 H ALA 55 H ALA 55 6.306 4.502 -2.634 382 HA ALA 55 HA ALA 55 5.327 4.848 -5.392 383 HB1 ALA 55 3HB ALA 55 4.960 2.407 -3.669 384 HB2 ALA 55 1HB ALA 55 4.644 2.570 -5.397 385 HB3 ALA 55 2HB ALA 55 6.302 2.616 -4.795 386 HA PRO 56 HA PRO 56 1.478 6.283 -3.817 387 HB2 PRO 56 1HB PRO 56 -0.141 5.584 -5.880 388 HB3 PRO 56 2HB PRO 56 1.003 6.928 -5.970 389 HG2 PRO 56 1HG PRO 56 1.279 4.133 -7.007 390 HG3 PRO 56 2HG PRO 56 1.719 5.664 -7.786 391 HD2 PRO 56 1HD PRO 56 3.542 4.066 -6.579 392 HD3 PRO 56 2HD PRO 56 3.698 5.834 -6.617 393 H SER 57 H SER 57 -0.091 5.508 -2.524 394 HA SER 57 HA SER 57 -0.219 2.777 -1.871 395 HB2 SER 57 1HB SER 57 -1.977 3.368 -0.359 396 HB3 SER 57 2HB SER 57 -0.851 4.725 -0.381 397 HG SER 57 HG SER 57 -3.466 4.648 -1.084 398 H HIS 58 H HIS 58 -1.475 4.382 -4.512 399 HA HIS 58 HA HIS 58 -3.941 2.975 -4.822 400 HB2 HIS 58 1HB HIS 58 -2.288 4.335 -6.958 401 HB3 HIS 58 2HB HIS 58 -4.000 3.931 -7.047 402 HD1 HIS 58 1HD HIS 58 -1.845 6.690 -6.383 403 HD2 HIS 58 2HD HIS 58 -5.494 5.397 -4.873 404 HE1 HIS 58 1HE HIS 58 -2.869 8.705 -5.281 405 HE2 HIS 58 2HE HIS 58 -5.037 7.878 -4.301 406 H TYR 59 H TYR 59 -0.642 2.505 -5.977 407 HA TYR 59 HA TYR 59 -1.312 0.269 -7.643 408 HB2 TYR 59 1HB TYR 59 1.314 1.388 -6.663 409 HB3 TYR 59 2HB TYR 59 1.210 -0.035 -7.694 410 HD1 TYR 59 1HD TYR 59 -0.511 3.288 -7.711 411 HD2 TYR 59 2HD TYR 59 1.859 0.472 -9.845 412 HE1 TYR 59 1HE TYR 59 -0.586 4.739 -9.695 413 HE2 TYR 59 2HE TYR 59 1.793 1.916 -11.835 414 HH TYR 59 HH TYR 59 1.440 4.558 -12.182 415 H LEU 60 H LEU 60 -0.524 0.728 -4.315 416 HA LEU 60 HA LEU 60 0.133 -2.072 -3.890 417 HB2 LEU 60 1HB LEU 60 -0.202 0.127 -1.858 418 HB3 LEU 60 2HB LEU 60 0.537 -1.451 -1.596 419 HG LEU 60 HG LEU 60 1.677 0.583 -3.500 420 HD11 LEU 60 1HD1 LEU 60 1.456 1.324 -1.038 421 HD12 LEU 60 2HD1 LEU 60 3.023 1.470 -1.834 422 HD13 LEU 60 3HD1 LEU 60 2.717 0.129 -0.731 423 HD21 LEU 60 3HD2 LEU 60 3.697 -0.732 -3.268 424 HD22 LEU 60 1HD2 LEU 60 2.364 -1.764 -3.787 425 HD23 LEU 60 2HD2 LEU 60 2.902 -1.796 -2.107 426 H VAL 61 H VAL 61 -1.124 -3.539 -2.787 427 HA VAL 61 HA VAL 61 -3.969 -2.917 -2.688 428 HB VAL 61 HB VAL 61 -4.314 -5.309 -2.382 429 HG11 VAL 61 1HG1 VAL 61 -3.469 -4.090 -4.654 430 HG12 VAL 61 2HG1 VAL 61 -2.310 -5.415 -4.525 431 HG13 VAL 61 3HG1 VAL 61 -4.040 -5.756 -4.567 432 HG21 VAL 61 3HG2 VAL 61 -2.710 -6.364 -1.218 433 HG22 VAL 61 1HG2 VAL 61 -1.933 -6.569 -2.788 434 HG23 VAL 61 2HG2 VAL 61 -1.456 -5.237 -1.736 435 H LEU 62 H LEU 62 -5.089 -2.593 -0.872 436 HA LEU 62 HA LEU 62 -3.690 -2.950 1.687 437 HB2 LEU 62 1HB LEU 62 -6.222 -1.409 1.484 438 HB3 LEU 62 2HB LEU 62 -4.827 -1.154 2.530 439 HG LEU 62 HG LEU 62 -4.669 -0.608 -0.415 440 HD11 LEU 62 1HD1 LEU 62 -5.579 1.482 -0.232 441 HD12 LEU 62 2HD1 LEU 62 -5.283 1.582 1.504 442 HD13 LEU 62 3HD1 LEU 62 -6.607 0.591 0.892 443 HD21 LEU 62 3HD2 LEU 62 -3.189 0.395 2.012 444 HD22 LEU 62 1HD2 LEU 62 -2.957 1.009 0.375 445 HD23 LEU 62 2HD2 LEU 62 -2.570 -0.671 0.750 446 H ASP 63 H ASP 63 -4.551 -4.151 3.317 447 HA ASP 63 HA ASP 63 -6.624 -6.028 2.593 448 HB2 ASP 63 1HB ASP 63 -5.283 -5.802 5.285 449 HB3 ASP 63 2HB ASP 63 -6.030 -7.221 4.557 450 H GLU 64 H GLU 64 -8.337 -4.423 2.405 451 HA GLU 64 HA GLU 64 -9.316 -3.367 4.957 452 HB2 GLU 64 1HB GLU 64 -9.172 -1.745 3.159 453 HB3 GLU 64 2HB GLU 64 -10.135 -2.774 2.109 454 HG2 GLU 64 1HG GLU 64 -11.313 -1.920 4.696 455 HG3 GLU 64 2HG GLU 64 -11.183 -0.732 3.400 456 H ASN 65 H ASN 65 -11.524 -3.648 5.573 457 HA ASN 65 HA ASN 65 -12.489 -6.305 5.022 458 HB2 ASN 65 1HB ASN 65 -14.380 -5.469 6.614 459 HB3 ASN 65 2HB ASN 65 -12.768 -5.750 7.264 460 HD21 ASN 65 1HD2 ASN 65 -11.533 -4.030 7.933 461 HD22 ASN 65 2HD2 ASN 65 -12.169 -2.433 8.112 462 H GLU 66 H GLU 66 -13.901 -6.839 3.499 463 HA GLU 66 HA GLU 66 -15.727 -4.763 2.482 464 HB2 GLU 66 1HB GLU 66 -15.562 -6.110 0.280 465 HB3 GLU 66 2HB GLU 66 -14.249 -5.019 0.701 466 HG2 GLU 66 1HG GLU 66 -14.078 -7.875 1.522 467 HG3 GLU 66 2HG GLU 66 -13.765 -7.438 -0.157 468 H GLN 67 H GLN 67 -17.667 -5.293 3.266 469 HA GLN 67 HA GLN 67 -18.589 -8.062 2.884 470 HB2 GLN 67 1HB GLN 67 -19.168 -6.270 5.248 471 HB3 GLN 67 2HB GLN 67 -19.912 -7.838 4.967 472 HG2 GLN 67 1HG GLN 67 -16.949 -7.689 5.034 473 HG3 GLN 67 2HG GLN 67 -17.830 -7.546 6.554 474 HE21 GLN 67 1HE2 GLN 67 -16.847 -9.631 4.005 475 HE22 GLN 67 2HE2 GLN 67 -17.456 -11.101 4.676 476 HA PRO 68 HA PRO 68 -21.432 -5.208 0.655 477 HB2 PRO 68 1HB PRO 68 -21.849 -6.906 -1.421 478 HB3 PRO 68 2HB PRO 68 -20.473 -5.799 -1.348 479 HG2 PRO 68 1HG PRO 68 -20.593 -8.718 -0.693 480 HG3 PRO 68 2HG PRO 68 -19.352 -7.822 -1.590 481 HD2 PRO 68 1HD PRO 68 -19.050 -8.524 1.007 482 HD3 PRO 68 2HD PRO 68 -18.348 -7.040 0.332 483 H ASP 69 H ASP 69 -22.899 -5.630 2.441 484 HA ASP 69 HA ASP 69 -24.569 -8.012 2.216 485 HB2 ASP 69 1HB ASP 69 -25.670 -6.939 4.296 486 HB3 ASP 69 2HB ASP 69 -24.046 -7.600 4.458 487 HA PRO 70 HA PRO 70 -27.777 -5.993 -0.017 488 HB2 PRO 70 1HB PRO 70 -29.870 -7.559 0.715 489 HB3 PRO 70 2HB PRO 70 -28.619 -8.093 -0.413 490 HG2 PRO 70 1HG PRO 70 -28.906 -8.672 2.510 491 HG3 PRO 70 2HG PRO 70 -28.462 -9.771 1.190 492 HD2 PRO 70 1HD PRO 70 -26.629 -8.679 2.857 493 HD3 PRO 70 2HD PRO 70 -26.274 -9.047 1.157 494 H SER 71 H SER 71 -27.470 -5.886 3.300 495 HA SER 71 HA SER 71 -28.427 -4.668 4.968 496 HB2 SER 71 1HB SER 71 -29.477 -2.960 2.700 497 HB3 SER 71 2HB SER 71 -29.254 -2.464 4.378 498 HG SER 71 HG SER 71 -27.177 -2.234 4.041 499 H GLY 72 H GLY 72 -29.911 -6.904 4.066 500 HA2 GLY 72 1HA GLY 72 -32.696 -6.077 3.941 501 HA3 GLY 72 2HA GLY 72 -32.091 -7.725 3.863 502 H LYS 73 H LYS 73 -33.471 -5.320 5.830 503 HA LYS 73 HA LYS 73 -33.112 -7.024 8.210 504 HB2 LYS 73 1HB LYS 73 -32.104 -4.663 8.230 505 HB3 LYS 73 2HB LYS 73 -33.763 -4.084 8.298 506 HG2 LYS 73 1HG LYS 73 -34.121 -4.981 10.415 507 HG3 LYS 73 2HG LYS 73 -32.744 -6.078 10.285 508 HD2 LYS 73 1HD LYS 73 -31.192 -4.311 10.560 509 HD3 LYS 73 2HD LYS 73 -32.438 -3.084 10.319 510 HE2 LYS 73 1HE LYS 73 -32.253 -3.031 12.599 511 HE3 LYS 73 2HE LYS 73 -33.516 -4.247 12.420 512 HZ1 LYS 73 3HZ LYS 73 -30.876 -5.361 12.339 513 HZ2 LYS 73 1HZ LYS 73 -32.210 -5.812 13.277 514 HZ3 LYS 73 2HZ LYS 73 -31.196 -4.561 13.795 515 H GLU 74 H GLU 74 -34.890 -7.907 9.041 516 HA GLU 74 HA GLU 74 -37.330 -8.036 7.907 517 HB2 GLU 74 1HB GLU 74 -36.433 -9.223 10.013 518 HB3 GLU 74 2HB GLU 74 -37.122 -7.872 10.902 519 HG2 GLU 74 1HG GLU 74 -38.847 -9.352 11.007 520 HG3 GLU 74 2HG GLU 74 -39.275 -8.477 9.537 521 H SER 75 H SER 75 -36.219 -5.499 10.087 522 HA SER 75 HA SER 75 -38.455 -3.832 9.201 523 HB2 SER 75 1HB SER 75 -39.003 -3.115 11.438 524 HB3 SER 75 2HB SER 75 -39.061 -4.877 11.402 525 HG SER 75 HG SER 75 -37.075 -4.940 12.422 526 H GLY 76 H GLY 76 -38.120 -1.506 9.895 527 HA2 GLY 76 1HA GLY 76 -35.256 -0.869 9.606 528 HA3 GLY 76 2HA GLY 76 -36.576 0.155 9.060 529 HA PRO 77 HA PRO 77 -35.092 1.911 13.050 530 HB2 PRO 77 1HB PRO 77 -35.325 4.495 12.249 531 HB3 PRO 77 2HB PRO 77 -33.890 3.515 11.927 532 HG2 PRO 77 1HG PRO 77 -36.188 4.159 10.120 533 HG3 PRO 77 2HG PRO 77 -34.453 4.136 9.758 534 HD2 PRO 77 1HD PRO 77 -36.109 2.102 9.085 535 HD3 PRO 77 2HD PRO 77 -34.406 1.844 9.515 536 H SER 78 H SER 78 -37.148 1.037 13.842 537 HA SER 78 HA SER 78 -39.652 2.152 13.437 538 HB2 SER 78 1HB SER 78 -40.273 1.166 15.606 539 HB3 SER 78 2HB SER 78 -39.300 0.046 14.652 540 HG SER 78 HG SER 78 -37.506 1.214 15.961 541 H SER 79 H SER 79 -40.816 3.109 15.596 542 HA SER 79 HA SER 79 -41.239 5.041 16.722 543 HB2 SER 79 1HB SER 79 -38.305 4.639 17.267 544 HB3 SER 79 2HB SER 79 -39.177 6.019 17.933 545 HG SER 79 HG SER 79 -39.716 3.266 18.355 546 H GLY 80 H GLY 80 -40.988 5.360 13.980 547 HA2 GLY 80 1HA GLY 80 -40.434 8.171 13.830 548 HA3 GLY 80 2HA GLY 80 -39.249 7.209 12.959 Start of MODEL 2 1 H1 GLY 1 H GLY 1 3.000 -11.702 20.569 2 HA2 GLY 1 1HA GLY 1 4.715 -10.240 21.694 3 HA3 GLY 1 2HA GLY 1 4.777 -10.168 19.939 4 H SER 2 H SER 2 5.362 -8.207 22.197 5 HA SER 2 HA SER 2 3.455 -6.082 21.701 6 HB2 SER 2 1HB SER 2 4.554 -6.523 23.951 7 HB3 SER 2 2HB SER 2 6.041 -5.881 23.252 8 HG SER 2 HG SER 2 4.202 -4.490 24.387 9 H SER 3 H SER 3 4.184 -3.924 21.032 10 HA SER 3 HA SER 3 5.250 -3.808 18.539 11 HB2 SER 3 1HB SER 3 4.203 -1.855 19.405 12 HB3 SER 3 2HB SER 3 5.344 -1.749 20.745 13 HG SER 3 HG SER 3 5.536 -0.718 18.266 14 H GLY 4 H GLY 4 7.129 -4.483 17.758 15 HA2 GLY 4 1HA GLY 4 9.615 -3.508 18.739 16 HA3 GLY 4 2HA GLY 4 9.376 -5.182 19.219 17 H SER 5 H SER 5 9.003 -6.763 17.507 18 HA SER 5 HA SER 5 10.728 -6.205 15.241 19 HB2 SER 5 1HB SER 5 10.401 -8.659 14.768 20 HB3 SER 5 2HB SER 5 11.103 -8.305 16.347 21 HG SER 5 HG SER 5 8.682 -9.443 15.706 22 H SER 6 H SER 6 7.345 -6.817 15.909 23 HA SER 6 HA SER 6 6.738 -6.658 13.038 24 HB2 SER 6 1HB SER 6 5.169 -7.712 15.390 25 HB3 SER 6 2HB SER 6 4.424 -7.419 13.818 26 HG SER 6 HG SER 6 5.079 -9.520 13.803 27 H GLY 7 H GLY 7 6.634 -4.533 12.532 28 HA2 GLY 7 1HA GLY 7 4.566 -2.965 13.914 29 HA3 GLY 7 2HA GLY 7 6.170 -2.274 13.715 30 H ALA 8 H ALA 8 6.829 -3.012 11.170 31 HA ALA 8 HA ALA 8 5.480 -1.099 9.616 32 HB1 ALA 8 3HB ALA 8 7.435 -3.273 8.979 33 HB2 ALA 8 1HB ALA 8 6.692 -2.325 7.691 34 HB3 ALA 8 2HB ALA 8 7.655 -1.524 8.933 35 H THR 9 H THR 9 4.828 -1.985 7.222 36 HA THR 9 HA THR 9 2.971 -4.227 7.494 37 HB THR 9 HB THR 9 2.107 -1.486 6.550 38 HG1 THR 9 1HG THR 9 2.180 -1.674 8.827 39 HG21 THR 9 3HG2 THR 9 1.000 -3.147 5.225 40 HG22 THR 9 1HG2 THR 9 -0.150 -2.568 6.429 41 HG23 THR 9 2HG2 THR 9 0.648 -4.125 6.649 42 H SER 10 H SER 10 3.490 -5.545 5.884 43 HA SER 10 HA SER 10 4.695 -4.535 3.454 44 HB2 SER 10 1HB SER 10 4.286 -7.217 4.685 45 HB3 SER 10 2HB SER 10 4.467 -7.145 2.933 46 HG SER 10 HG SER 10 6.514 -6.809 3.210 47 H TYR 11 H TYR 11 3.754 -4.353 1.499 48 HA TYR 11 HA TYR 11 0.915 -5.114 1.300 49 HB2 TYR 11 1HB TYR 11 2.403 -2.835 -0.016 50 HB3 TYR 11 2HB TYR 11 0.742 -3.280 -0.393 51 HD1 TYR 11 2HD TYR 11 2.737 -2.689 2.720 52 HD2 TYR 11 1HD TYR 11 -0.833 -1.896 0.547 53 HE1 TYR 11 2HE TYR 11 1.943 -1.259 4.557 54 HE2 TYR 11 1HE TYR 11 -1.637 -0.463 2.377 55 HH TYR 11 HH TYR 11 -1.112 0.520 4.312 56 H MET 12 H MET 12 0.195 -5.428 -1.030 57 HA MET 12 HA MET 12 2.253 -6.965 -2.474 58 HB2 MET 12 1HB MET 12 0.567 -8.453 -1.608 59 HB3 MET 12 2HB MET 12 -0.721 -7.445 -2.254 60 HG2 MET 12 1HG MET 12 -0.685 -9.049 -3.849 61 HG3 MET 12 2HG MET 12 0.514 -7.953 -4.532 62 HE1 MET 12 3HE MET 12 1.671 -9.041 -5.881 63 HE2 MET 12 1HE MET 12 3.168 -9.834 -5.393 64 HE3 MET 12 2HE MET 12 1.778 -10.802 -5.885 65 H THR 13 H THR 13 2.784 -6.233 -4.419 66 HA THR 13 HA THR 13 1.479 -3.978 -5.573 67 HB THR 13 HB THR 13 3.113 -4.066 -7.303 68 HG1 THR 13 1HG THR 13 3.893 -5.903 -8.018 69 HG21 THR 13 3HG2 THR 13 5.250 -4.525 -5.969 70 HG22 THR 13 1HG2 THR 13 4.179 -4.922 -4.625 71 HG23 THR 13 2HG2 THR 13 4.145 -3.307 -5.332 72 H CYS 14 H CYS 14 -0.189 -3.923 -6.925 73 HA CYS 14 HA CYS 14 -1.186 -6.433 -8.036 74 HB2 CYS 14 1HB CYS 14 -3.253 -5.222 -8.463 75 HB3 CYS 14 2HB CYS 14 -2.747 -4.972 -6.796 76 HG CYS 14 HG CYS 14 -1.833 -2.396 -7.167 77 H SER 15 H SER 15 0.687 -3.811 -8.977 78 HA SER 15 HA SER 15 0.676 -4.672 -11.725 79 HB2 SER 15 1HB SER 15 -1.245 -2.926 -11.355 80 HB3 SER 15 2HB SER 15 0.076 -1.757 -11.344 81 HG SER 15 HG SER 15 0.360 -2.049 -13.419 82 H ALA 16 H ALA 16 2.332 -3.544 -13.012 83 HA ALA 16 HA ALA 16 4.688 -3.092 -11.419 84 HB1 ALA 16 3HB ALA 16 4.436 -4.287 -13.739 85 HB2 ALA 16 1HB ALA 16 4.654 -2.653 -14.366 86 HB3 ALA 16 2HB ALA 16 5.897 -3.380 -13.347 87 H TYR 17 H TYR 17 5.352 -1.190 -10.687 88 HA TYR 17 HA TYR 17 4.258 1.250 -11.904 89 HB2 TYR 17 1HB TYR 17 3.694 1.367 -9.662 90 HB3 TYR 17 2HB TYR 17 5.163 0.548 -9.141 91 HD1 TYR 17 2HD TYR 17 7.345 1.822 -9.210 92 HD2 TYR 17 1HD TYR 17 3.571 3.719 -9.716 93 HE1 TYR 17 2HE TYR 17 8.372 3.993 -8.680 94 HE2 TYR 17 1HE TYR 17 4.588 5.896 -9.189 95 HH TYR 17 HH TYR 17 6.490 6.995 -8.803 96 H GLN 18 H GLN 18 5.562 2.828 -12.696 97 HA GLN 18 HA GLN 18 8.378 2.134 -13.031 98 HB2 GLN 18 1HB GLN 18 6.678 2.938 -14.886 99 HB3 GLN 18 2HB GLN 18 7.140 4.533 -14.308 100 HG2 GLN 18 1HG GLN 18 9.271 2.572 -14.994 101 HG3 GLN 18 2HG GLN 18 8.408 3.398 -16.290 102 HE21 GLN 18 1HE2 GLN 18 11.213 3.567 -15.387 103 HE22 GLN 18 2HE2 GLN 18 11.494 5.242 -15.071 104 H LYS 19 H LYS 19 10.066 3.616 -12.608 105 HA LYS 19 HA LYS 19 9.436 5.477 -10.431 106 HB2 LYS 19 1HB LYS 19 11.935 5.412 -10.051 107 HB3 LYS 19 2HB LYS 19 11.084 3.898 -9.775 108 HG2 LYS 19 1HG LYS 19 12.022 2.875 -11.591 109 HG3 LYS 19 2HG LYS 19 12.266 4.393 -12.458 110 HD2 LYS 19 1HD LYS 19 13.794 3.672 -9.967 111 HD3 LYS 19 2HD LYS 19 14.353 3.251 -11.588 112 HE2 LYS 19 1HE LYS 19 14.010 5.771 -12.088 113 HE3 LYS 19 2HE LYS 19 14.037 5.952 -10.334 114 HZ1 LYS 19 3HZ LYS 19 16.228 6.231 -11.474 115 HZ2 LYS 19 1HZ LYS 19 16.183 4.583 -11.852 116 HZ3 LYS 19 2HZ LYS 19 16.216 5.079 -10.235 117 H VAL 20 H VAL 20 9.186 7.529 -11.002 118 HA VAL 20 HA VAL 20 10.234 8.571 -13.464 119 HB VAL 20 HB VAL 20 8.065 9.329 -12.626 120 HG11 VAL 20 1HG1 VAL 20 7.714 10.388 -10.617 121 HG12 VAL 20 2HG1 VAL 20 8.990 9.252 -10.175 122 HG13 VAL 20 3HG1 VAL 20 9.383 10.942 -10.493 123 HG21 VAL 20 3HG2 VAL 20 9.887 11.705 -12.491 124 HG22 VAL 20 1HG2 VAL 20 9.687 10.795 -13.989 125 HG23 VAL 20 2HG2 VAL 20 8.293 11.566 -13.233 126 H GLN 21 H GLN 21 10.905 9.058 -10.017 127 HA GLN 21 HA GLN 21 13.287 10.618 -10.749 128 HB2 GLN 21 1HB GLN 21 11.540 10.554 -8.320 129 HB3 GLN 21 2HB GLN 21 13.213 11.073 -8.165 130 HG2 GLN 21 1HG GLN 21 12.755 12.747 -9.977 131 HG3 GLN 21 2HG GLN 21 11.051 12.318 -9.838 132 HE21 GLN 21 1HE2 GLN 21 9.971 12.746 -7.857 133 HE22 GLN 21 2HE2 GLN 21 10.540 13.983 -6.794 134 H ASP 22 H ASP 22 15.309 10.047 -10.020 135 HA ASP 22 HA ASP 22 15.995 7.399 -9.812 136 HB2 ASP 22 1HB ASP 22 17.503 9.631 -8.442 137 HB3 ASP 22 2HB ASP 22 18.159 8.113 -9.048 138 H SER 23 H SER 23 14.951 9.570 -7.274 139 HA SER 23 HA SER 23 15.730 8.047 -5.049 140 HB2 SER 23 1HB SER 23 13.355 9.905 -5.326 141 HB3 SER 23 2HB SER 23 14.045 9.342 -3.805 142 HG SER 23 HG SER 23 15.380 10.897 -5.771 143 H GLU 24 H GLU 24 12.933 7.856 -7.155 144 HA GLU 24 HA GLU 24 11.600 5.901 -5.492 145 HB2 GLU 24 1HB GLU 24 10.995 7.160 -8.153 146 HB3 GLU 24 2HB GLU 24 10.077 5.774 -7.580 147 HG2 GLU 24 1HG GLU 24 8.955 7.884 -7.087 148 HG3 GLU 24 2HG GLU 24 9.378 7.005 -5.619 149 H ILE 25 H ILE 25 10.819 3.839 -6.590 150 HA ILE 25 HA ILE 25 12.812 2.713 -8.416 151 HB ILE 25 HB ILE 25 13.765 1.870 -6.492 152 HG12 ILE 25 1HG1 ILE 25 12.790 0.079 -8.112 153 HG13 ILE 25 2HG1 ILE 25 13.430 -0.434 -6.555 154 HG21 ILE 25 1HG2 ILE 25 11.965 0.813 -4.753 155 HG22 ILE 25 2HG2 ILE 25 12.643 2.436 -4.633 156 HG23 ILE 25 3HG2 ILE 25 11.068 2.192 -5.388 157 HD11 ILE 25 3HD1 ILE 25 11.463 -1.231 -5.908 158 HD12 ILE 25 1HD1 ILE 25 10.609 0.221 -6.429 159 HD13 ILE 25 2HD1 ILE 25 10.963 -1.058 -7.590 160 H SER 26 H SER 26 12.028 1.197 -9.812 161 HA SER 26 HA SER 26 9.127 0.852 -9.823 162 HB2 SER 26 1HB SER 26 9.403 0.140 -12.144 163 HB3 SER 26 2HB SER 26 10.235 1.672 -11.880 164 HG SER 26 HG SER 26 12.085 0.039 -11.392 165 H PHE 27 H PHE 27 8.125 -1.051 -9.516 166 HA PHE 27 HA PHE 27 9.798 -3.462 -9.269 167 HB2 PHE 27 1HB PHE 27 8.022 -4.151 -7.507 168 HB3 PHE 27 2HB PHE 27 9.280 -3.011 -7.038 169 HD1 PHE 27 1HD PHE 27 5.730 -3.378 -7.906 170 HD2 PHE 27 2HD PHE 27 8.761 -0.753 -6.478 171 HE1 PHE 27 1HE PHE 27 4.003 -1.769 -7.209 172 HE2 PHE 27 2HE PHE 27 7.039 0.859 -5.777 173 HZ PHE 27 HZ PHE 27 4.657 0.352 -6.142 174 HA PRO 28 HA PRO 28 7.031 -5.374 -12.098 175 HB2 PRO 28 1HB PRO 28 7.321 -7.970 -11.359 176 HB3 PRO 28 2HB PRO 28 8.569 -7.075 -12.235 177 HG2 PRO 28 1HG PRO 28 8.368 -7.670 -9.308 178 HG3 PRO 28 2HG PRO 28 9.785 -7.746 -10.370 179 HD2 PRO 28 1HD PRO 28 9.320 -5.658 -8.710 180 HD3 PRO 28 2HD PRO 28 10.136 -5.470 -10.275 181 H ALA 29 H ALA 29 5.166 -6.946 -12.161 182 HA ALA 29 HA ALA 29 3.391 -6.371 -9.919 183 HB1 ALA 29 3HB ALA 29 2.528 -5.860 -12.107 184 HB2 ALA 29 1HB ALA 29 2.841 -7.506 -12.657 185 HB3 ALA 29 2HB ALA 29 1.612 -7.205 -11.428 186 H GLY 30 H GLY 30 3.670 -7.790 -8.287 187 HA2 GLY 30 1HA GLY 30 2.654 -10.043 -7.724 188 HA3 GLY 30 2HA GLY 30 3.726 -10.662 -8.971 189 H VAL 31 H VAL 31 4.655 -8.119 -6.755 190 HA VAL 31 HA VAL 31 6.332 -10.030 -5.276 191 HB VAL 31 HB VAL 31 8.172 -8.374 -5.261 192 HG11 VAL 31 1HG1 VAL 31 8.116 -10.246 -6.874 193 HG12 VAL 31 2HG1 VAL 31 7.340 -9.179 -8.046 194 HG13 VAL 31 3HG1 VAL 31 8.978 -8.836 -7.489 195 HG21 VAL 31 3HG2 VAL 31 7.936 -6.688 -7.276 196 HG22 VAL 31 1HG2 VAL 31 6.219 -6.852 -6.911 197 HG23 VAL 31 2HG2 VAL 31 7.334 -6.282 -5.669 198 H GLU 32 H GLU 32 6.818 -9.467 -3.136 199 HA GLU 32 HA GLU 32 4.875 -7.688 -1.922 200 HB2 GLU 32 1HB GLU 32 5.546 -10.029 -1.071 201 HB3 GLU 32 2HB GLU 32 6.987 -9.239 -0.446 202 HG2 GLU 32 1HG GLU 32 5.542 -7.708 0.845 203 HG3 GLU 32 2HG GLU 32 4.136 -8.608 0.280 204 H VAL 33 H VAL 33 5.389 -5.959 -0.539 205 HA VAL 33 HA VAL 33 8.159 -5.008 -0.559 206 HB VAL 33 HB VAL 33 7.423 -2.713 -1.128 207 HG11 VAL 33 1HG1 VAL 33 7.187 -4.987 -3.033 208 HG12 VAL 33 2HG1 VAL 33 6.758 -3.370 -3.593 209 HG13 VAL 33 3HG1 VAL 33 8.376 -3.687 -2.967 210 HG21 VAL 33 3HG2 VAL 33 5.278 -2.144 -1.688 211 HG22 VAL 33 1HG2 VAL 33 4.868 -3.774 -2.222 212 HG23 VAL 33 2HG2 VAL 33 4.955 -3.406 -0.499 213 H GLN 34 H GLN 34 8.638 -3.462 1.081 214 HA GLN 34 HA GLN 34 6.750 -3.580 3.330 215 HB2 GLN 34 1HB GLN 34 9.720 -3.526 3.131 216 HB3 GLN 34 2HB GLN 34 8.982 -2.757 4.530 217 HG2 GLN 34 1HG GLN 34 9.299 -4.859 5.341 218 HG3 GLN 34 2HG GLN 34 7.670 -5.021 4.686 219 HE21 GLN 34 1HE2 GLN 34 11.064 -5.399 3.739 220 HE22 GLN 34 2HE2 GLN 34 10.816 -6.802 2.762 221 H VAL 35 H VAL 35 5.940 -1.767 4.223 222 HA VAL 35 HA VAL 35 6.623 0.774 2.932 223 HB VAL 35 HB VAL 35 4.240 -0.046 4.592 224 HG11 VAL 35 1HG1 VAL 35 3.855 2.083 5.082 225 HG12 VAL 35 2HG1 VAL 35 5.353 2.550 4.273 226 HG13 VAL 35 3HG1 VAL 35 3.843 2.478 3.363 227 HG21 VAL 35 3HG2 VAL 35 4.180 1.009 1.792 228 HG22 VAL 35 1HG2 VAL 35 4.542 -0.690 2.100 229 HG23 VAL 35 2HG2 VAL 35 3.006 -0.005 2.630 230 H LEU 36 H LEU 36 8.136 1.919 3.941 231 HA LEU 36 HA LEU 36 8.620 1.642 6.768 232 HB2 LEU 36 1HB LEU 36 9.836 3.558 4.784 233 HB3 LEU 36 2HB LEU 36 10.433 3.223 6.408 234 HG LEU 36 HG LEU 36 10.345 1.222 4.150 235 HD11 LEU 36 1HD1 LEU 36 12.653 1.561 3.854 236 HD12 LEU 36 2HD1 LEU 36 12.781 2.540 5.315 237 HD13 LEU 36 3HD1 LEU 36 11.945 3.175 3.899 238 HD21 LEU 36 3HD2 LEU 36 10.441 0.786 6.877 239 HD22 LEU 36 1HD2 LEU 36 12.131 0.715 6.381 240 HD23 LEU 36 2HD2 LEU 36 10.944 -0.343 5.618 241 H GLU 37 H GLU 37 7.976 4.495 4.720 242 HA GLU 37 HA GLU 37 6.461 5.639 6.974 243 HB2 GLU 37 1HB GLU 37 8.687 6.736 6.550 244 HB3 GLU 37 2HB GLU 37 8.081 7.215 4.971 245 HG2 GLU 37 1HG GLU 37 7.965 8.954 6.785 246 HG3 GLU 37 2HG GLU 37 6.469 8.647 5.905 247 H LYS 38 H LYS 38 4.973 7.449 6.212 248 HA LYS 38 HA LYS 38 3.905 6.983 3.528 249 HB2 LYS 38 1HB LYS 38 2.359 6.700 6.101 250 HB3 LYS 38 2HB LYS 38 1.571 6.994 4.556 251 HG2 LYS 38 1HG LYS 38 2.824 4.917 3.737 252 HG3 LYS 38 2HG LYS 38 3.115 4.586 5.446 253 HD2 LYS 38 1HD LYS 38 0.621 4.792 5.784 254 HD3 LYS 38 2HD LYS 38 0.467 4.806 4.026 255 HE2 LYS 38 1HE LYS 38 0.121 2.567 4.714 256 HE3 LYS 38 2HE LYS 38 1.738 2.630 4.014 257 HZ1 LYS 38 3HZ LYS 38 0.926 2.192 6.780 258 HZ2 LYS 38 1HZ LYS 38 2.338 3.092 6.535 259 HZ3 LYS 38 2HZ LYS 38 2.216 1.525 5.912 260 H GLN 39 H GLN 39 2.900 8.745 2.610 261 HA GLN 39 HA GLN 39 3.025 11.234 4.179 262 HB2 GLN 39 1HB GLN 39 3.543 10.680 1.271 263 HB3 GLN 39 2HB GLN 39 3.138 12.298 1.827 264 HG2 GLN 39 1HG GLN 39 5.088 11.829 3.534 265 HG3 GLN 39 2HG GLN 39 5.589 10.690 2.285 266 HE21 GLN 39 1HE2 GLN 39 4.466 14.040 2.607 267 HE22 GLN 39 2HE2 GLN 39 5.562 14.699 1.446 268 H GLU 40 H GLU 40 1.218 12.396 4.433 269 HA GLU 40 HA GLU 40 -1.302 11.484 4.122 270 HB2 GLU 40 1HB GLU 40 -0.358 13.744 5.108 271 HB3 GLU 40 2HB GLU 40 -0.867 14.385 3.552 272 HG2 GLU 40 1HG GLU 40 -3.111 13.938 3.960 273 HG3 GLU 40 2HG GLU 40 -2.745 12.784 5.242 274 H SER 41 H SER 41 0.566 13.215 1.672 275 HA SER 41 HA SER 41 -1.331 13.681 -0.251 276 HB2 SER 41 1HB SER 41 0.430 13.752 -1.849 277 HB3 SER 41 2HB SER 41 1.151 14.253 -0.320 278 HG SER 41 HG SER 41 2.268 12.581 -1.684 279 H GLY 42 H GLY 42 0.516 10.676 0.226 280 HA2 GLY 42 1HA GLY 42 -1.221 8.736 -0.076 281 HA3 GLY 42 2HA GLY 42 -1.202 9.331 -1.730 282 H TRP 43 H TRP 43 1.670 10.007 -1.569 283 HA TRP 43 HA TRP 43 2.683 7.487 -2.446 284 HB2 TRP 43 1HB TRP 43 4.004 10.167 -2.003 285 HB3 TRP 43 2HB TRP 43 4.857 8.762 -2.636 286 HD1 TRP 43 HD TRP 43 2.072 11.238 -3.587 287 HE1 TRP 43 1HE TRP 43 1.794 11.202 -6.145 288 HE3 TRP 43 3HE TRP 43 5.232 7.375 -4.692 289 HZ2 TRP 43 2HZ TRP 43 2.782 9.730 -8.341 290 HZ3 TRP 43 3HZ TRP 43 5.509 6.715 -7.046 291 HH2 TRP 43 HH TRP 43 4.309 7.869 -8.832 292 H TRP 44 H TRP 44 3.520 5.926 -1.241 293 HA TRP 44 HA TRP 44 4.514 6.608 1.446 294 HB2 TRP 44 1HB TRP 44 3.565 3.904 0.482 295 HB3 TRP 44 2HB TRP 44 3.942 4.371 2.138 296 HD1 TRP 44 HD TRP 44 2.247 7.266 1.585 297 HE1 TRP 44 1HE TRP 44 -0.305 7.122 1.891 298 HE3 TRP 44 3HE TRP 44 1.668 2.201 1.202 299 HZ2 TRP 44 2HZ TRP 44 -2.299 5.125 1.961 300 HZ3 TRP 44 3HZ TRP 44 -0.595 1.254 1.400 301 HH2 TRP 44 HH TRP 44 -2.536 2.688 1.772 302 H TYR 45 H TYR 45 6.524 5.972 2.081 303 HA TYR 45 HA TYR 45 8.398 5.305 0.015 304 HB2 TYR 45 1HB TYR 45 8.721 6.799 2.139 305 HB3 TYR 45 2HB TYR 45 9.090 5.271 2.932 306 HD1 TYR 45 1HD TYR 45 9.961 6.741 -0.398 307 HD2 TYR 45 2HD TYR 45 11.358 5.020 3.234 308 HE1 TYR 45 1HE TYR 45 12.272 6.874 -1.231 309 HE2 TYR 45 2HE TYR 45 13.673 5.150 2.412 310 HH TYR 45 HH TYR 45 15.013 5.888 0.793 311 H VAL 46 H VAL 46 8.408 3.281 -0.741 312 HA VAL 46 HA VAL 46 8.176 1.051 1.158 313 HB VAL 46 HB VAL 46 8.015 -0.276 -1.089 314 HG11 VAL 46 1HG1 VAL 46 5.832 1.471 0.031 315 HG12 VAL 46 2HG1 VAL 46 5.551 0.188 -1.148 316 HG13 VAL 46 3HG1 VAL 46 6.195 -0.204 0.447 317 HG21 VAL 46 3HG2 VAL 46 8.626 1.744 -2.445 318 HG22 VAL 46 1HG2 VAL 46 7.146 0.931 -2.952 319 HG23 VAL 46 2HG2 VAL 46 7.056 2.425 -2.020 320 H ARG 47 H ARG 47 9.481 -0.938 0.476 321 HA ARG 47 HA ARG 47 12.121 -0.192 -0.565 322 HB2 ARG 47 1HB ARG 47 12.263 -0.106 1.881 323 HB3 ARG 47 2HB ARG 47 11.635 -1.745 1.983 324 HG2 ARG 47 1HG ARG 47 13.609 -2.595 0.850 325 HG3 ARG 47 2HG ARG 47 14.233 -0.953 0.682 326 HD2 ARG 47 1HD ARG 47 15.278 -2.121 2.559 327 HD3 ARG 47 2HD ARG 47 14.340 -0.731 3.105 328 HE ARG 47 HE ARG 47 12.662 -2.930 3.244 329 HH11 ARG 47 1HH1 ARG 47 15.652 -1.877 4.682 330 HH12 ARG 47 2HH1 ARG 47 15.391 -2.732 6.166 331 HH21 ARG 47 1HH2 ARG 47 12.307 -4.060 5.193 332 HH22 ARG 47 2HH2 ARG 47 13.488 -3.975 6.455 333 H PHE 48 H PHE 48 12.715 -1.526 -2.132 334 HA PHE 48 HA PHE 48 11.635 -4.268 -2.127 335 HB2 PHE 48 1HB PHE 48 10.676 -2.893 -3.932 336 HB3 PHE 48 2HB PHE 48 12.297 -2.542 -4.522 337 HD1 PHE 48 2HD PHE 48 10.633 -5.693 -3.421 338 HD2 PHE 48 1HD PHE 48 12.621 -3.585 -6.539 339 HE1 PHE 48 2HE PHE 48 10.552 -7.708 -4.830 340 HE2 PHE 48 1HE PHE 48 12.542 -5.597 -7.954 341 HZ PHE 48 HZ PHE 48 11.507 -7.662 -7.099 342 H GLY 49 H GLY 49 13.368 -5.275 -1.163 343 HA2 GLY 49 1HA GLY 49 15.327 -6.509 -1.326 344 HA3 GLY 49 2HA GLY 49 15.653 -5.730 -2.867 345 H GLU 50 H GLU 50 17.161 -4.178 -2.948 346 HA GLU 50 HA GLU 50 18.204 -3.175 -0.381 347 HB2 GLU 50 1HB GLU 50 19.586 -3.999 -2.908 348 HB3 GLU 50 2HB GLU 50 20.331 -2.800 -1.860 349 HG2 GLU 50 1HG GLU 50 21.251 -4.880 -1.255 350 HG3 GLU 50 2HG GLU 50 20.107 -4.454 0.017 351 H LEU 51 H LEU 51 16.086 -2.074 -2.180 352 HA LEU 51 HA LEU 51 17.244 0.607 -2.447 353 HB2 LEU 51 1HB LEU 51 15.458 -0.685 -4.503 354 HB3 LEU 51 2HB LEU 51 16.088 0.960 -4.556 355 HG LEU 51 HG LEU 51 17.875 -1.461 -4.596 356 HD11 LEU 51 1HD1 LEU 51 17.906 -1.412 -6.956 357 HD12 LEU 51 2HD1 LEU 51 16.964 0.077 -7.014 358 HD13 LEU 51 3HD1 LEU 51 16.205 -1.427 -6.491 359 HD21 LEU 51 3HD2 LEU 51 19.539 0.040 -5.369 360 HD22 LEU 51 1HD2 LEU 51 18.776 0.809 -3.977 361 HD23 LEU 51 2HD2 LEU 51 18.362 1.332 -5.610 362 H GLU 52 H GLU 52 15.714 2.330 -2.306 363 HA GLU 52 HA GLU 52 13.065 1.560 -1.292 364 HB2 GLU 52 1HB GLU 52 15.054 3.425 -0.018 365 HB3 GLU 52 2HB GLU 52 13.335 3.529 0.332 366 HG2 GLU 52 1HG GLU 52 14.022 2.188 2.039 367 HG3 GLU 52 2HG GLU 52 13.598 0.972 0.835 368 H GLY 53 H GLY 53 11.501 2.524 -2.399 369 HA2 GLY 53 1HA GLY 53 11.985 5.229 -3.461 370 HA3 GLY 53 2HA GLY 53 11.364 3.970 -4.519 371 H TRP 54 H TRP 54 10.088 6.457 -3.923 372 HA TRP 54 HA TRP 54 7.956 5.907 -2.056 373 HB2 TRP 54 1HB TRP 54 8.498 8.204 -3.941 374 HB3 TRP 54 2HB TRP 54 7.060 8.114 -2.927 375 HD1 TRP 54 HD TRP 54 10.783 8.843 -2.780 376 HE1 TRP 54 1HE TRP 54 11.370 9.752 -0.445 377 HE3 TRP 54 3HE TRP 54 6.332 7.963 -0.425 378 HZ2 TRP 54 2HZ TRP 54 10.112 10.056 2.064 379 HZ3 TRP 54 3HZ TRP 54 6.106 8.592 1.943 380 HH2 TRP 54 HH TRP 54 7.958 9.616 3.160 381 H ALA 55 H ALA 55 6.502 4.420 -2.648 382 HA ALA 55 HA ALA 55 5.517 4.429 -5.418 383 HB1 ALA 55 3HB ALA 55 6.472 2.312 -4.502 384 HB2 ALA 55 1HB ALA 55 5.139 2.273 -3.348 385 HB3 ALA 55 2HB ALA 55 4.811 2.171 -5.079 386 HA PRO 56 HA PRO 56 1.643 6.087 -4.148 387 HB2 PRO 56 1HB PRO 56 0.082 5.139 -6.156 388 HB3 PRO 56 2HB PRO 56 1.239 6.456 -6.380 389 HG2 PRO 56 1HG PRO 56 1.523 3.552 -7.046 390 HG3 PRO 56 2HG PRO 56 1.999 4.970 -7.998 391 HD2 PRO 56 1HD PRO 56 3.772 3.531 -6.542 392 HD3 PRO 56 2HD PRO 56 3.943 5.280 -6.799 393 H SER 57 H SER 57 -0.120 5.507 -2.961 394 HA SER 57 HA SER 57 -0.248 2.864 -1.933 395 HB2 SER 57 1HB SER 57 -2.038 3.654 -0.554 396 HB3 SER 57 2HB SER 57 -0.883 4.979 -0.697 397 HG SER 57 HG SER 57 -3.331 5.273 -1.097 398 H HIS 58 H HIS 58 -1.733 4.443 -4.600 399 HA HIS 58 HA HIS 58 -4.065 2.861 -4.838 400 HB2 HIS 58 1HB HIS 58 -2.603 4.076 -7.173 401 HB3 HIS 58 2HB HIS 58 -4.335 3.826 -6.976 402 HD1 HIS 58 1HD HIS 58 -1.555 6.131 -5.982 403 HD2 HIS 58 2HD HIS 58 -5.679 5.828 -5.577 404 HE1 HIS 58 1HE HIS 58 -2.310 8.363 -5.105 405 HE2 HIS 58 2HE HIS 58 -4.798 8.128 -4.787 406 H TYR 59 H TYR 59 -0.788 2.515 -6.113 407 HA TYR 59 HA TYR 59 -1.391 0.191 -7.666 408 HB2 TYR 59 1HB TYR 59 1.178 1.506 -6.804 409 HB3 TYR 59 2HB TYR 59 1.168 -0.009 -7.699 410 HD1 TYR 59 1HD TYR 59 -0.293 3.427 -7.894 411 HD2 TYR 59 2HD TYR 59 1.292 0.088 -10.003 412 HE1 TYR 59 1HE TYR 59 -0.471 4.682 -10.002 413 HE2 TYR 59 2HE TYR 59 1.120 1.335 -12.116 414 HH TYR 59 HH TYR 59 0.281 4.724 -12.189 415 H LEU 60 H LEU 60 -1.054 0.702 -4.380 416 HA LEU 60 HA LEU 60 -0.127 -2.040 -3.877 417 HB2 LEU 60 1HB LEU 60 -0.389 0.311 -2.009 418 HB3 LEU 60 2HB LEU 60 0.166 -1.296 -1.543 419 HG LEU 60 HG LEU 60 1.600 0.329 -3.624 420 HD11 LEU 60 1HD1 LEU 60 1.458 0.789 -0.752 421 HD12 LEU 60 2HD1 LEU 60 2.105 1.811 -2.035 422 HD13 LEU 60 3HD1 LEU 60 3.102 0.535 -1.337 423 HD21 LEU 60 3HD2 LEU 60 1.993 -2.149 -3.342 424 HD22 LEU 60 1HD2 LEU 60 2.641 -1.777 -1.745 425 HD23 LEU 60 2HD2 LEU 60 3.418 -1.120 -3.186 426 H VAL 61 H VAL 61 -1.344 -3.485 -2.697 427 HA VAL 61 HA VAL 61 -4.189 -2.820 -2.473 428 HB VAL 61 HB VAL 61 -4.554 -5.250 -2.278 429 HG11 VAL 61 1HG1 VAL 61 -2.806 -4.936 -4.669 430 HG12 VAL 61 2HG1 VAL 61 -4.417 -5.644 -4.533 431 HG13 VAL 61 3HG1 VAL 61 -4.218 -3.892 -4.504 432 HG21 VAL 61 3HG2 VAL 61 -2.921 -6.685 -1.806 433 HG22 VAL 61 1HG2 VAL 61 -1.952 -6.113 -3.165 434 HG23 VAL 61 2HG2 VAL 61 -1.844 -5.303 -1.602 435 H LEU 62 H LEU 62 -5.273 -2.825 -0.575 436 HA LEU 62 HA LEU 62 -4.040 -3.924 1.818 437 HB2 LEU 62 1HB LEU 62 -4.517 -1.758 3.042 438 HB3 LEU 62 2HB LEU 62 -3.117 -1.779 1.971 439 HG LEU 62 HG LEU 62 -5.725 -0.719 0.968 440 HD11 LEU 62 1HD1 LEU 62 -3.753 1.037 2.387 441 HD12 LEU 62 2HD1 LEU 62 -5.109 0.298 3.238 442 HD13 LEU 62 3HD1 LEU 62 -5.407 1.397 1.892 443 HD21 LEU 62 3HD2 LEU 62 -4.480 0.180 -0.689 444 HD22 LEU 62 1HD2 LEU 62 -3.363 -1.111 -0.245 445 HD23 LEU 62 2HD2 LEU 62 -3.113 0.522 0.373 446 H ASP 63 H ASP 63 -5.636 -5.257 2.404 447 HA ASP 63 HA ASP 63 -7.789 -6.062 2.668 448 HB2 ASP 63 1HB ASP 63 -7.002 -4.658 4.747 449 HB3 ASP 63 2HB ASP 63 -8.287 -3.564 4.242 450 H GLU 64 H GLU 64 -7.541 -4.444 0.282 451 HA GLU 64 HA GLU 64 -10.262 -3.318 0.159 452 HB2 GLU 64 1HB GLU 64 -8.195 -1.769 -0.158 453 HB3 GLU 64 2HB GLU 64 -8.080 -2.523 -1.742 454 HG2 GLU 64 1HG GLU 64 -10.119 -1.644 -2.444 455 HG3 GLU 64 2HG GLU 64 -10.637 -1.287 -0.798 456 H ASN 65 H ASN 65 -7.774 -4.481 -2.121 457 HA ASN 65 HA ASN 65 -9.445 -5.277 -4.156 458 HB2 ASN 65 1HB ASN 65 -6.848 -5.252 -4.010 459 HB3 ASN 65 2HB ASN 65 -7.025 -6.915 -3.459 460 HD21 ASN 65 1HD2 ASN 65 -6.417 -5.112 -6.074 461 HD22 ASN 65 2HD2 ASN 65 -7.005 -6.157 -7.318 462 H GLU 66 H GLU 66 -8.140 -7.393 -1.595 463 HA GLU 66 HA GLU 66 -10.628 -8.845 -1.455 464 HB2 GLU 66 1HB GLU 66 -8.162 -10.045 -2.676 465 HB3 GLU 66 2HB GLU 66 -9.313 -11.058 -1.816 466 HG2 GLU 66 1HG GLU 66 -11.083 -10.054 -3.353 467 HG3 GLU 66 2HG GLU 66 -9.731 -9.471 -4.322 468 H GLN 67 H GLN 67 -10.959 -9.476 0.578 469 HA GLN 67 HA GLN 67 -9.165 -8.900 2.642 470 HB2 GLN 67 1HB GLN 67 -11.705 -10.455 2.442 471 HB3 GLN 67 2HB GLN 67 -10.747 -10.599 3.909 472 HG2 GLN 67 1HG GLN 67 -12.219 -8.904 4.425 473 HG3 GLN 67 2HG GLN 67 -10.779 -8.023 3.917 474 HE21 GLN 67 1HE2 GLN 67 -13.709 -7.380 3.921 475 HE22 GLN 67 2HE2 GLN 67 -14.039 -6.851 2.310 476 HA PRO 68 HA PRO 68 -6.402 -12.320 2.696 477 HB2 PRO 68 1HB PRO 68 -5.678 -12.271 5.313 478 HB3 PRO 68 2HB PRO 68 -5.119 -11.073 4.139 479 HG2 PRO 68 1HG PRO 68 -7.334 -10.871 6.142 480 HG3 PRO 68 2HG PRO 68 -6.102 -9.671 5.712 481 HD2 PRO 68 1HD PRO 68 -8.633 -9.567 4.756 482 HD3 PRO 68 2HD PRO 68 -7.235 -9.001 3.820 483 H ASP 69 H ASP 69 -6.018 -14.408 3.783 484 HA ASP 69 HA ASP 69 -8.519 -15.511 4.885 485 HB2 ASP 69 1HB ASP 69 -6.509 -16.624 2.968 486 HB3 ASP 69 2HB ASP 69 -7.404 -17.730 4.006 487 HA PRO 70 HA PRO 70 -5.390 -15.825 8.259 488 HB2 PRO 70 1HB PRO 70 -7.165 -15.296 10.244 489 HB3 PRO 70 2HB PRO 70 -6.336 -14.027 9.334 490 HG2 PRO 70 1HG PRO 70 -9.106 -15.109 8.984 491 HG3 PRO 70 2HG PRO 70 -8.549 -13.426 8.945 492 HD2 PRO 70 1HD PRO 70 -9.051 -14.847 6.696 493 HD3 PRO 70 2HD PRO 70 -7.796 -13.594 6.773 494 H SER 71 H SER 71 -5.079 -17.502 9.709 495 HA SER 71 HA SER 71 -6.645 -19.865 9.242 496 HB2 SER 71 1HB SER 71 -4.214 -19.262 10.916 497 HB3 SER 71 2HB SER 71 -5.025 -20.825 11.002 498 HG SER 71 HG SER 71 -3.500 -21.056 9.450 499 H GLY 72 H GLY 72 -5.911 -17.883 12.113 500 HA2 GLY 72 1HA GLY 72 -7.859 -17.297 13.524 501 HA3 GLY 72 2HA GLY 72 -8.373 -18.968 13.339 502 H LYS 73 H LYS 73 -6.276 -16.779 15.006 503 HA LYS 73 HA LYS 73 -5.000 -18.933 16.503 504 HB2 LYS 73 1HB LYS 73 -4.616 -15.937 16.537 505 HB3 LYS 73 2HB LYS 73 -3.750 -17.045 17.594 506 HG2 LYS 73 1HG LYS 73 -2.222 -16.807 15.924 507 HG3 LYS 73 2HG LYS 73 -3.119 -18.202 15.319 508 HD2 LYS 73 1HD LYS 73 -4.422 -16.786 13.861 509 HD3 LYS 73 2HD LYS 73 -3.672 -15.339 14.539 510 HE2 LYS 73 1HE LYS 73 -1.506 -16.041 13.674 511 HE3 LYS 73 2HE LYS 73 -2.224 -17.521 13.039 512 HZ1 LYS 73 3HZ LYS 73 -3.663 -15.287 12.095 513 HZ2 LYS 73 1HZ LYS 73 -2.806 -16.447 11.210 514 HZ3 LYS 73 2HZ LYS 73 -2.018 -15.061 11.773 515 H GLU 74 H GLU 74 -6.148 -19.769 18.119 516 HA GLU 74 HA GLU 74 -8.085 -18.154 19.556 517 HB2 GLU 74 1HB GLU 74 -7.362 -21.076 19.600 518 HB3 GLU 74 2HB GLU 74 -8.436 -20.375 20.802 519 HG2 GLU 74 1HG GLU 74 -9.940 -21.148 19.267 520 HG3 GLU 74 2HG GLU 74 -9.726 -19.487 18.717 521 H SER 75 H SER 75 -5.254 -20.149 20.397 522 HA SER 75 HA SER 75 -4.858 -18.418 22.748 523 HB2 SER 75 1HB SER 75 -4.427 -21.410 22.586 524 HB3 SER 75 2HB SER 75 -3.997 -20.399 23.966 525 HG SER 75 HG SER 75 -5.981 -21.155 24.449 526 H GLY 76 H GLY 76 -2.850 -17.625 23.047 527 HA2 GLY 76 1HA GLY 76 -0.979 -17.638 20.968 528 HA3 GLY 76 2HA GLY 76 -0.655 -17.115 22.614 529 HA PRO 77 HA PRO 77 2.056 -20.751 21.816 530 HB2 PRO 77 1HB PRO 77 4.197 -19.716 23.126 531 HB3 PRO 77 2HB PRO 77 3.847 -19.364 21.430 532 HG2 PRO 77 1HG PRO 77 3.266 -17.721 23.864 533 HG3 PRO 77 2HG PRO 77 3.898 -17.204 22.290 534 HD2 PRO 77 1HD PRO 77 1.300 -16.898 22.990 535 HD3 PRO 77 2HD PRO 77 1.809 -17.193 21.315 536 H SER 78 H SER 78 1.428 -18.879 24.739 537 HA SER 78 HA SER 78 2.403 -20.683 26.636 538 HB2 SER 78 1HB SER 78 1.771 -18.401 27.229 539 HB3 SER 78 2HB SER 78 0.082 -18.750 26.859 540 HG SER 78 HG SER 78 -0.111 -19.843 28.680 541 H SER 79 H SER 79 1.083 -21.980 28.167 542 HA SER 79 HA SER 79 -1.193 -23.277 26.822 543 HB2 SER 79 1HB SER 79 0.925 -24.642 26.727 544 HB3 SER 79 2HB SER 79 0.871 -24.731 28.487 545 HG SER 79 HG SER 79 -0.711 -25.992 26.590 546 H GLY 80 H GLY 80 -2.854 -22.484 28.000 547 HA2 GLY 80 1HA GLY 80 -2.660 -22.672 30.938 548 HA3 GLY 80 2HA GLY 80 -3.721 -21.570 30.073 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -3.674 0.898 15.382 2 HA2 GLY 1 1HA GLY 1 -5.126 -0.813 13.473 3 HA3 GLY 1 2HA GLY 1 -3.394 -0.573 13.296 4 H SER 2 H SER 2 -4.194 -3.100 13.503 5 HA SER 2 HA SER 2 -4.631 -4.292 15.927 6 HB2 SER 2 1HB SER 2 -2.814 -5.271 13.711 7 HB3 SER 2 2HB SER 2 -3.432 -6.272 15.025 8 HG SER 2 HG SER 2 -4.948 -6.597 13.562 9 H SER 3 H SER 3 -3.539 -4.586 17.767 10 HA SER 3 HA SER 3 -1.163 -3.159 18.290 11 HB2 SER 3 1HB SER 3 -1.194 -4.337 20.477 12 HB3 SER 3 2HB SER 3 -2.760 -3.638 20.065 13 HG SER 3 HG SER 3 -3.291 -5.791 19.242 14 H GLY 4 H GLY 4 0.853 -4.140 19.170 15 HA2 GLY 4 1HA GLY 4 2.668 -5.546 19.006 16 HA3 GLY 4 2HA GLY 4 1.562 -6.815 18.499 17 H SER 5 H SER 5 3.548 -4.134 17.415 18 HA SER 5 HA SER 5 3.529 -5.313 14.717 19 HB2 SER 5 1HB SER 5 3.636 -2.356 15.365 20 HB3 SER 5 2HB SER 5 3.687 -3.067 13.752 21 HG SER 5 HG SER 5 1.544 -2.771 15.506 22 H SER 6 H SER 6 5.303 -2.898 16.658 23 HA SER 6 HA SER 6 7.540 -2.365 16.657 24 HB2 SER 6 1HB SER 6 8.945 -4.249 17.429 25 HB3 SER 6 2HB SER 6 7.415 -4.169 18.303 26 HG SER 6 HG SER 6 6.987 -6.091 17.602 27 H GLY 7 H GLY 7 6.663 -2.460 14.045 28 HA2 GLY 7 1HA GLY 7 9.102 -2.852 12.647 29 HA3 GLY 7 2HA GLY 7 7.982 -4.158 12.289 30 H ALA 8 H ALA 8 6.797 -3.865 10.534 31 HA ALA 8 HA ALA 8 5.574 -1.313 9.966 32 HB1 ALA 8 3HB ALA 8 7.510 -0.718 8.857 33 HB2 ALA 8 1HB ALA 8 7.836 -2.368 8.324 34 HB3 ALA 8 2HB ALA 8 6.551 -1.432 7.560 35 H THR 9 H THR 9 4.455 -1.521 7.672 36 HA THR 9 HA THR 9 3.152 -4.163 7.635 37 HB THR 9 HB THR 9 1.939 -1.624 6.555 38 HG1 THR 9 1HG THR 9 2.481 -1.631 8.922 39 HG21 THR 9 3HG2 THR 9 0.336 -3.020 5.890 40 HG22 THR 9 1HG2 THR 9 0.027 -3.423 7.578 41 HG23 THR 9 2HG2 THR 9 1.167 -4.384 6.637 42 H SER 10 H SER 10 3.453 -5.378 5.894 43 HA SER 10 HA SER 10 4.666 -4.188 3.522 44 HB2 SER 10 1HB SER 10 5.344 -6.367 2.913 45 HB3 SER 10 2HB SER 10 5.522 -6.324 4.667 46 HG SER 10 HG SER 10 3.153 -7.148 4.445 47 H TYR 11 H TYR 11 3.709 -4.071 1.558 48 HA TYR 11 HA TYR 11 0.915 -4.991 1.389 49 HB2 TYR 11 1HB TYR 11 2.261 -2.600 0.126 50 HB3 TYR 11 2HB TYR 11 0.650 -3.154 -0.319 51 HD1 TYR 11 2HD TYR 11 2.532 -2.399 2.830 52 HD2 TYR 11 1HD TYR 11 -1.093 -2.001 0.638 53 HE1 TYR 11 2HE TYR 11 1.575 -1.072 4.666 54 HE2 TYR 11 1HE TYR 11 -2.060 -0.671 2.468 55 HH TYR 11 HH TYR 11 -0.936 0.865 4.419 56 H MET 12 H MET 12 0.215 -5.196 -1.011 57 HA MET 12 HA MET 12 2.300 -6.728 -2.421 58 HB2 MET 12 1HB MET 12 0.528 -8.186 -1.674 59 HB3 MET 12 2HB MET 12 -0.694 -7.123 -2.359 60 HG2 MET 12 1HG MET 12 -0.621 -8.688 -3.991 61 HG3 MET 12 2HG MET 12 0.643 -7.613 -4.582 62 HE1 MET 12 3HE MET 12 3.403 -9.524 -5.211 63 HE2 MET 12 1HE MET 12 2.005 -10.271 -5.984 64 HE3 MET 12 2HE MET 12 2.060 -8.522 -5.765 65 H THR 13 H THR 13 2.541 -6.473 -4.630 66 HA THR 13 HA THR 13 1.425 -3.990 -5.700 67 HB THR 13 HB THR 13 3.163 -4.029 -7.340 68 HG1 THR 13 1HG THR 13 4.054 -5.844 -7.975 69 HG21 THR 13 3HG2 THR 13 5.154 -4.005 -5.974 70 HG22 THR 13 1HG2 THR 13 4.372 -5.003 -4.749 71 HG23 THR 13 2HG2 THR 13 3.810 -3.356 -5.036 72 H CYS 14 H CYS 14 -0.215 -4.017 -7.079 73 HA CYS 14 HA CYS 14 -0.932 -6.542 -8.379 74 HB2 CYS 14 1HB CYS 14 -3.130 -5.572 -8.715 75 HB3 CYS 14 2HB CYS 14 -2.659 -5.380 -7.031 76 HG CYS 14 HG CYS 14 -3.549 -3.089 -9.212 77 H SER 15 H SER 15 0.484 -3.528 -9.039 78 HA SER 15 HA SER 15 0.455 -4.123 -11.900 79 HB2 SER 15 1HB SER 15 -1.362 -2.380 -11.156 80 HB3 SER 15 2HB SER 15 0.012 -1.279 -11.060 81 HG SER 15 HG SER 15 -1.211 -1.513 -13.152 82 H ALA 16 H ALA 16 2.140 -3.028 -13.091 83 HA ALA 16 HA ALA 16 4.553 -2.787 -11.533 84 HB1 ALA 16 3HB ALA 16 4.244 -2.330 -14.492 85 HB2 ALA 16 1HB ALA 16 5.713 -2.742 -13.607 86 HB3 ALA 16 2HB ALA 16 4.416 -3.928 -13.765 87 H TYR 17 H TYR 17 5.205 -0.960 -10.626 88 HA TYR 17 HA TYR 17 4.214 1.592 -11.675 89 HB2 TYR 17 1HB TYR 17 3.749 1.565 -9.404 90 HB3 TYR 17 2HB TYR 17 5.218 0.680 -9.007 91 HD1 TYR 17 2HD TYR 17 7.405 1.882 -8.979 92 HD2 TYR 17 1HD TYR 17 3.709 3.941 -9.419 93 HE1 TYR 17 2HE TYR 17 8.512 3.989 -8.360 94 HE2 TYR 17 1HE TYR 17 4.805 6.055 -8.803 95 HH TYR 17 HH TYR 17 6.916 7.059 -8.657 96 H GLN 18 H GLN 18 5.561 3.235 -12.307 97 HA GLN 18 HA GLN 18 8.346 2.458 -12.796 98 HB2 GLN 18 1HB GLN 18 8.378 4.087 -14.549 99 HB3 GLN 18 2HB GLN 18 6.900 3.150 -14.722 100 HG2 GLN 18 1HG GLN 18 5.565 4.905 -13.918 101 HG3 GLN 18 2HG GLN 18 6.958 5.782 -13.287 102 HE21 GLN 18 1HE2 GLN 18 8.627 6.293 -15.053 103 HE22 GLN 18 2HE2 GLN 18 7.985 6.943 -16.519 104 H LYS 19 H LYS 19 10.056 3.640 -12.068 105 HA LYS 19 HA LYS 19 9.588 5.370 -9.828 106 HB2 LYS 19 1HB LYS 19 12.137 5.576 -9.908 107 HB3 LYS 19 2HB LYS 19 11.469 3.977 -9.605 108 HG2 LYS 19 1HG LYS 19 11.980 3.232 -11.769 109 HG3 LYS 19 2HG LYS 19 12.249 4.874 -12.359 110 HD2 LYS 19 1HD LYS 19 13.947 3.653 -10.200 111 HD3 LYS 19 2HD LYS 19 14.312 3.439 -11.913 112 HE2 LYS 19 1HE LYS 19 13.955 6.132 -10.614 113 HE3 LYS 19 2HE LYS 19 15.518 5.331 -10.770 114 HZ1 LYS 19 3HZ LYS 19 13.890 6.628 -12.795 115 HZ2 LYS 19 1HZ LYS 19 14.646 5.192 -13.275 116 HZ3 LYS 19 2HZ LYS 19 15.571 6.480 -12.687 117 H VAL 20 H VAL 20 9.169 7.465 -9.967 118 HA VAL 20 HA VAL 20 9.419 8.944 -12.376 119 HB VAL 20 HB VAL 20 8.930 9.904 -9.553 120 HG11 VAL 20 1HG1 VAL 20 7.892 11.628 -11.596 121 HG12 VAL 20 2HG1 VAL 20 9.011 12.000 -10.283 122 HG13 VAL 20 3HG1 VAL 20 9.626 11.402 -11.824 123 HG21 VAL 20 3HG2 VAL 20 6.604 10.221 -10.934 124 HG22 VAL 20 1HG2 VAL 20 7.237 8.734 -11.639 125 HG23 VAL 20 2HG2 VAL 20 6.980 8.844 -9.898 126 H GLN 21 H GLN 21 11.233 8.999 -9.319 127 HA GLN 21 HA GLN 21 13.394 10.411 -10.738 128 HB2 GLN 21 1HB GLN 21 12.745 10.667 -7.799 129 HB3 GLN 21 2HB GLN 21 13.957 11.572 -8.696 130 HG2 GLN 21 1HG GLN 21 11.842 12.267 -10.127 131 HG3 GLN 21 2HG GLN 21 11.015 11.900 -8.615 132 HE21 GLN 21 1HE2 GLN 21 11.497 14.447 -10.056 133 HE22 GLN 21 2HE2 GLN 21 12.243 15.488 -8.895 134 H ASP 22 H ASP 22 15.556 10.106 -9.621 135 HA ASP 22 HA ASP 22 16.322 7.456 -9.679 136 HB2 ASP 22 1HB ASP 22 17.628 9.729 -8.167 137 HB3 ASP 22 2HB ASP 22 18.397 8.189 -8.540 138 H SER 23 H SER 23 15.252 9.388 -6.935 139 HA SER 23 HA SER 23 15.921 7.617 -4.877 140 HB2 SER 23 1HB SER 23 13.907 9.808 -5.183 141 HB3 SER 23 2HB SER 23 13.815 8.759 -3.768 142 HG SER 23 HG SER 23 15.127 10.529 -3.312 143 H GLU 24 H GLU 24 12.887 7.934 -6.707 144 HA GLU 24 HA GLU 24 11.548 5.815 -5.408 145 HB2 GLU 24 1HB GLU 24 11.111 6.993 -8.158 146 HB3 GLU 24 2HB GLU 24 10.002 5.895 -7.349 147 HG2 GLU 24 1HG GLU 24 9.054 7.932 -6.899 148 HG3 GLU 24 2HG GLU 24 10.033 7.669 -5.457 149 H ILE 25 H ILE 25 10.825 3.799 -6.526 150 HA ILE 25 HA ILE 25 12.801 2.716 -8.395 151 HB ILE 25 HB ILE 25 13.765 1.822 -6.499 152 HG12 ILE 25 1HG1 ILE 25 12.773 0.077 -8.162 153 HG13 ILE 25 2HG1 ILE 25 13.432 -0.478 -6.627 154 HG21 ILE 25 1HG2 ILE 25 11.971 0.720 -4.780 155 HG22 ILE 25 2HG2 ILE 25 12.657 2.335 -4.617 156 HG23 ILE 25 3HG2 ILE 25 11.077 2.120 -5.370 157 HD11 ILE 25 3HD1 ILE 25 10.959 -1.085 -7.648 158 HD12 ILE 25 1HD1 ILE 25 11.471 -1.288 -5.973 159 HD13 ILE 25 2HD1 ILE 25 10.608 0.171 -6.461 160 H SER 26 H SER 26 12.000 1.245 -9.828 161 HA SER 26 HA SER 26 9.099 0.918 -9.837 162 HB2 SER 26 1HB SER 26 9.393 0.198 -12.170 163 HB3 SER 26 2HB SER 26 10.176 1.753 -11.886 164 HG SER 26 HG SER 26 11.732 0.658 -12.882 165 H PHE 27 H PHE 27 8.070 -0.991 -9.614 166 HA PHE 27 HA PHE 27 9.712 -3.424 -9.404 167 HB2 PHE 27 1HB PHE 27 7.985 -4.124 -7.613 168 HB3 PHE 27 2HB PHE 27 9.244 -2.983 -7.153 169 HD1 PHE 27 1HD PHE 27 5.697 -3.239 -8.180 170 HD2 PHE 27 2HD PHE 27 8.704 -0.857 -6.335 171 HE1 PHE 27 1HE PHE 27 3.974 -1.651 -7.431 172 HE2 PHE 27 2HE PHE 27 6.985 0.735 -5.582 173 HZ PHE 27 HZ PHE 27 4.617 0.339 -6.129 174 HA PRO 28 HA PRO 28 6.854 -5.194 -12.240 175 HB2 PRO 28 1HB PRO 28 7.199 -7.820 -11.643 176 HB3 PRO 28 2HB PRO 28 8.400 -6.869 -12.525 177 HG2 PRO 28 1HG PRO 28 8.328 -7.609 -9.625 178 HG3 PRO 28 2HG PRO 28 9.700 -7.617 -10.749 179 HD2 PRO 28 1HD PRO 28 9.286 -5.619 -8.969 180 HD3 PRO 28 2HD PRO 28 10.033 -5.344 -10.555 181 H ALA 29 H ALA 29 4.968 -6.692 -12.324 182 HA ALA 29 HA ALA 29 3.289 -6.266 -9.988 183 HB1 ALA 29 3HB ALA 29 1.549 -6.275 -11.403 184 HB2 ALA 29 1HB ALA 29 2.779 -6.105 -12.655 185 HB3 ALA 29 2HB ALA 29 2.130 -7.698 -12.267 186 H GLY 30 H GLY 30 3.676 -7.736 -8.419 187 HA2 GLY 30 1HA GLY 30 2.665 -10.054 -7.971 188 HA3 GLY 30 2HA GLY 30 3.818 -10.576 -9.190 189 H VAL 31 H VAL 31 4.545 -8.062 -6.873 190 HA VAL 31 HA VAL 31 6.216 -9.940 -5.350 191 HB VAL 31 HB VAL 31 7.975 -8.137 -5.229 192 HG11 VAL 31 1HG1 VAL 31 8.624 -8.574 -7.762 193 HG12 VAL 31 2HG1 VAL 31 8.690 -9.853 -6.549 194 HG13 VAL 31 3HG1 VAL 31 7.306 -9.739 -7.638 195 HG21 VAL 31 3HG2 VAL 31 7.042 -6.155 -5.915 196 HG22 VAL 31 1HG2 VAL 31 7.847 -6.661 -7.400 197 HG23 VAL 31 2HG2 VAL 31 6.112 -6.912 -7.208 198 H GLU 32 H GLU 32 6.888 -9.102 -3.240 199 HA GLU 32 HA GLU 32 4.826 -7.331 -2.121 200 HB2 GLU 32 1HB GLU 32 5.254 -9.777 -1.301 201 HB3 GLU 32 2HB GLU 32 6.614 -9.060 -0.449 202 HG2 GLU 32 1HG GLU 32 4.787 -7.372 0.387 203 HG3 GLU 32 2HG GLU 32 3.697 -8.698 -0.013 204 H VAL 33 H VAL 33 5.367 -5.602 -0.819 205 HA VAL 33 HA VAL 33 8.231 -4.941 -0.631 206 HB VAL 33 HB VAL 33 7.655 -2.560 -0.995 207 HG11 VAL 33 1HG1 VAL 33 7.390 -4.670 -3.037 208 HG12 VAL 33 2HG1 VAL 33 6.843 -3.061 -3.511 209 HG13 VAL 33 3HG1 VAL 33 8.499 -3.303 -2.954 210 HG21 VAL 33 3HG2 VAL 33 4.931 -3.691 -1.609 211 HG22 VAL 33 1HG2 VAL 33 5.353 -2.512 -0.367 212 HG23 VAL 33 2HG2 VAL 33 5.448 -2.070 -2.072 213 H GLN 34 H GLN 34 8.694 -3.269 1.029 214 HA GLN 34 HA GLN 34 6.894 -3.602 3.335 215 HB2 GLN 34 1HB GLN 34 9.292 -4.540 3.395 216 HB3 GLN 34 2HB GLN 34 9.803 -2.862 3.525 217 HG2 GLN 34 1HG GLN 34 8.689 -2.587 5.594 218 HG3 GLN 34 2HG GLN 34 7.841 -4.122 5.417 219 HE21 GLN 34 1HE2 GLN 34 8.566 -5.230 7.127 220 HE22 GLN 34 2HE2 GLN 34 10.226 -5.592 7.439 221 H VAL 35 H VAL 35 5.836 -1.853 3.969 222 HA VAL 35 HA VAL 35 6.517 0.746 2.914 223 HB VAL 35 HB VAL 35 4.325 -0.079 4.823 224 HG11 VAL 35 1HG1 VAL 35 3.527 2.252 3.631 225 HG12 VAL 35 2HG1 VAL 35 4.204 2.115 5.254 226 HG13 VAL 35 3HG1 VAL 35 5.248 2.533 3.895 227 HG21 VAL 35 3HG2 VAL 35 4.157 0.595 1.889 228 HG22 VAL 35 1HG2 VAL 35 4.202 -1.046 2.534 229 HG23 VAL 35 2HG2 VAL 35 2.853 0.020 2.928 230 H LEU 36 H LEU 36 7.975 2.016 3.836 231 HA LEU 36 HA LEU 36 8.745 1.626 6.603 232 HB2 LEU 36 1HB LEU 36 9.755 3.587 4.547 233 HB3 LEU 36 2HB LEU 36 10.473 3.292 6.130 234 HG LEU 36 HG LEU 36 10.253 1.162 4.013 235 HD11 LEU 36 1HD1 LEU 36 12.553 1.627 3.429 236 HD12 LEU 36 2HD1 LEU 36 12.603 2.964 4.578 237 HD13 LEU 36 3HD1 LEU 36 11.563 3.060 3.157 238 HD21 LEU 36 3HD2 LEU 36 12.461 0.804 5.704 239 HD22 LEU 36 1HD2 LEU 36 10.972 -0.141 5.659 240 HD23 LEU 36 2HD2 LEU 36 11.109 1.237 6.752 241 H GLU 37 H GLU 37 7.838 4.493 4.674 242 HA GLU 37 HA GLU 37 6.391 5.506 7.025 243 HB2 GLU 37 1HB GLU 37 8.736 6.556 6.509 244 HB3 GLU 37 2HB GLU 37 7.868 7.395 5.230 245 HG2 GLU 37 1HG GLU 37 8.007 8.775 7.207 246 HG3 GLU 37 2HG GLU 37 6.332 8.330 6.884 247 H LYS 38 H LYS 38 4.698 7.025 6.544 248 HA LYS 38 HA LYS 38 3.720 6.837 3.770 249 HB2 LYS 38 1HB LYS 38 2.164 6.687 6.353 250 HB3 LYS 38 2HB LYS 38 1.408 6.924 4.783 251 HG2 LYS 38 1HG LYS 38 2.396 4.782 4.034 252 HG3 LYS 38 2HG LYS 38 3.018 4.539 5.668 253 HD2 LYS 38 1HD LYS 38 0.754 4.556 6.554 254 HD3 LYS 38 2HD LYS 38 0.107 4.875 4.943 255 HE2 LYS 38 1HE LYS 38 0.473 2.738 4.224 256 HE3 LYS 38 2HE LYS 38 1.851 2.497 5.297 257 HZ1 LYS 38 3HZ LYS 38 0.030 1.155 6.037 258 HZ2 LYS 38 1HZ LYS 38 -1.016 2.485 6.066 259 HZ3 LYS 38 2HZ LYS 38 0.267 2.394 7.165 260 H GLN 39 H GLN 39 2.845 8.656 2.853 261 HA GLN 39 HA GLN 39 3.024 11.122 4.456 262 HB2 GLN 39 1HB GLN 39 3.739 10.567 1.593 263 HB3 GLN 39 2HB GLN 39 3.335 12.198 2.114 264 HG2 GLN 39 1HG GLN 39 5.124 11.797 3.938 265 HG3 GLN 39 2HG GLN 39 5.663 10.493 2.881 266 HE21 GLN 39 1HE2 GLN 39 7.629 11.855 2.891 267 HE22 GLN 39 2HE2 GLN 39 7.750 13.110 1.710 268 H GLU 40 H GLU 40 1.227 12.289 4.671 269 HA GLU 40 HA GLU 40 -1.289 11.525 4.151 270 HB2 GLU 40 1HB GLU 40 -0.452 13.657 5.320 271 HB3 GLU 40 2HB GLU 40 -0.534 14.408 3.733 272 HG2 GLU 40 1HG GLU 40 -2.929 13.794 3.616 273 HG3 GLU 40 2HG GLU 40 -2.814 13.181 5.265 274 H SER 41 H SER 41 0.704 13.405 1.888 275 HA SER 41 HA SER 41 -0.997 13.920 -0.147 276 HB2 SER 41 1HB SER 41 0.939 13.555 -1.711 277 HB3 SER 41 2HB SER 41 1.315 14.565 -0.315 278 HG SER 41 HG SER 41 2.238 12.045 -0.986 279 H GLY 42 H GLY 42 0.607 10.800 0.421 280 HA2 GLY 42 1HA GLY 42 -1.138 8.942 -0.016 281 HA3 GLY 42 2HA GLY 42 -1.106 9.598 -1.646 282 H TRP 43 H TRP 43 1.764 10.172 -1.545 283 HA TRP 43 HA TRP 43 2.697 7.658 -2.498 284 HB2 TRP 43 1HB TRP 43 4.122 10.266 -1.952 285 HB3 TRP 43 2HB TRP 43 4.906 8.862 -2.671 286 HD1 TRP 43 HD TRP 43 2.176 11.466 -3.442 287 HE1 TRP 43 1HE TRP 43 1.868 11.581 -5.994 288 HE3 TRP 43 3HE TRP 43 5.237 7.604 -4.804 289 HZ2 TRP 43 2HZ TRP 43 2.798 10.216 -8.283 290 HZ3 TRP 43 3HZ TRP 43 5.472 7.073 -7.195 291 HH2 TRP 43 HH TRP 43 4.277 8.353 -8.897 292 H TRP 44 H TRP 44 3.340 6.012 -1.290 293 HA TRP 44 HA TRP 44 4.397 6.552 1.399 294 HB2 TRP 44 1HB TRP 44 3.379 3.936 0.269 295 HB3 TRP 44 2HB TRP 44 3.810 4.261 1.946 296 HD1 TRP 44 HD TRP 44 2.169 7.262 1.499 297 HE1 TRP 44 1HE TRP 44 -0.368 7.162 1.922 298 HE3 TRP 44 3HE TRP 44 1.482 2.209 1.132 299 HZ2 TRP 44 2HZ TRP 44 -2.393 5.201 2.079 300 HZ3 TRP 44 3HZ TRP 44 -0.786 1.302 1.432 301 HH2 TRP 44 HH TRP 44 -2.681 2.769 1.896 302 H TYR 45 H TYR 45 6.379 5.817 2.038 303 HA TYR 45 HA TYR 45 8.248 5.176 -0.063 304 HB2 TYR 45 1HB TYR 45 8.640 6.711 1.984 305 HB3 TYR 45 2HB TYR 45 8.909 5.214 2.870 306 HD1 TYR 45 1HD TYR 45 9.909 6.201 -0.587 307 HD2 TYR 45 2HD TYR 45 11.182 5.109 3.323 308 HE1 TYR 45 1HE TYR 45 12.243 6.167 -1.363 309 HE2 TYR 45 2HE TYR 45 13.519 5.074 2.559 310 HH TYR 45 HH TYR 45 14.883 5.204 0.799 311 H VAL 46 H VAL 46 8.379 3.156 -0.781 312 HA VAL 46 HA VAL 46 8.091 0.943 1.137 313 HB VAL 46 HB VAL 46 7.890 -0.435 -1.042 314 HG11 VAL 46 1HG1 VAL 46 5.449 0.180 -1.219 315 HG12 VAL 46 2HG1 VAL 46 6.021 -0.224 0.401 316 HG13 VAL 46 3HG1 VAL 46 5.774 1.463 -0.052 317 HG21 VAL 46 3HG2 VAL 46 7.413 0.617 -3.030 318 HG22 VAL 46 1HG2 VAL 46 6.870 2.098 -2.241 319 HG23 VAL 46 2HG2 VAL 46 8.592 1.733 -2.341 320 H ARG 47 H ARG 47 9.400 -1.049 0.505 321 HA ARG 47 HA ARG 47 12.062 -0.284 -0.484 322 HB2 ARG 47 1HB ARG 47 12.194 -0.327 1.938 323 HB3 ARG 47 2HB ARG 47 11.450 -1.920 1.982 324 HG2 ARG 47 1HG ARG 47 13.450 -2.704 0.608 325 HG3 ARG 47 2HG ARG 47 14.194 -1.164 1.043 326 HD2 ARG 47 1HD ARG 47 13.048 -3.017 3.109 327 HD3 ARG 47 2HD ARG 47 14.701 -3.189 2.521 328 HE ARG 47 HE ARG 47 14.331 -0.534 3.299 329 HH11 ARG 47 1HH1 ARG 47 14.441 -3.708 4.724 330 HH12 ARG 47 2HH1 ARG 47 15.027 -3.144 6.253 331 HH21 ARG 47 1HH2 ARG 47 15.102 0.222 5.308 332 HH22 ARG 47 2HH2 ARG 47 15.402 -0.908 6.585 333 H PHE 48 H PHE 48 12.654 -1.515 -2.132 334 HA PHE 48 HA PHE 48 11.577 -4.253 -2.301 335 HB2 PHE 48 1HB PHE 48 10.698 -2.671 -4.032 336 HB3 PHE 48 2HB PHE 48 12.345 -2.475 -4.623 337 HD1 PHE 48 2HD PHE 48 10.253 -5.404 -3.626 338 HD2 PHE 48 1HD PHE 48 12.673 -3.566 -6.606 339 HE1 PHE 48 2HE PHE 48 9.962 -7.373 -5.071 340 HE2 PHE 48 1HE PHE 48 12.386 -5.533 -8.057 341 HZ PHE 48 HZ PHE 48 11.030 -7.440 -7.290 342 H GLY 49 H GLY 49 13.317 -5.263 -1.314 343 HA2 GLY 49 1HA GLY 49 15.290 -6.462 -1.442 344 HA3 GLY 49 2HA GLY 49 15.584 -5.738 -3.016 345 H GLU 50 H GLU 50 17.415 -4.635 -3.063 346 HA GLU 50 HA GLU 50 18.434 -3.445 -0.594 347 HB2 GLU 50 1HB GLU 50 19.751 -4.954 -2.331 348 HB3 GLU 50 2HB GLU 50 19.984 -3.412 -3.142 349 HG2 GLU 50 1HG GLU 50 20.578 -3.564 -0.240 350 HG3 GLU 50 2HG GLU 50 21.699 -4.331 -1.363 351 H LEU 51 H LEU 51 16.216 -2.290 -2.183 352 HA LEU 51 HA LEU 51 17.343 0.394 -2.443 353 HB2 LEU 51 1HB LEU 51 15.544 -0.831 -4.527 354 HB3 LEU 51 2HB LEU 51 16.199 0.805 -4.536 355 HG LEU 51 HG LEU 51 17.936 -1.651 -4.673 356 HD11 LEU 51 1HD1 LEU 51 16.328 -0.336 -6.759 357 HD12 LEU 51 2HD1 LEU 51 16.964 -1.978 -6.677 358 HD13 LEU 51 3HD1 LEU 51 18.014 -0.650 -7.172 359 HD21 LEU 51 3HD2 LEU 51 18.462 1.203 -5.489 360 HD22 LEU 51 1HD2 LEU 51 19.618 -0.129 -5.453 361 HD23 LEU 51 2HD2 LEU 51 18.951 0.500 -3.946 362 H GLU 52 H GLU 52 15.695 2.088 -2.419 363 HA GLU 52 HA GLU 52 13.085 1.255 -1.390 364 HB2 GLU 52 1HB GLU 52 14.910 3.228 -0.007 365 HB3 GLU 52 2HB GLU 52 13.233 2.932 0.430 366 HG2 GLU 52 1HG GLU 52 13.687 0.829 1.279 367 HG3 GLU 52 2HG GLU 52 15.194 0.680 0.377 368 H GLY 53 H GLY 53 11.496 2.336 -2.355 369 HA2 GLY 53 1HA GLY 53 12.023 5.068 -3.316 370 HA3 GLY 53 2HA GLY 53 11.368 3.872 -4.424 371 H TRP 54 H TRP 54 10.003 6.192 -4.003 372 HA TRP 54 HA TRP 54 7.898 5.602 -2.062 373 HB2 TRP 54 1HB TRP 54 8.412 8.052 -3.762 374 HB3 TRP 54 2HB TRP 54 7.080 7.886 -2.620 375 HD1 TRP 54 HD TRP 54 10.903 8.250 -2.717 376 HE1 TRP 54 1HE TRP 54 11.701 9.065 -0.410 377 HE3 TRP 54 3HE TRP 54 6.477 7.956 -0.177 378 HZ2 TRP 54 2HZ TRP 54 10.600 9.522 2.149 379 HZ3 TRP 54 3HZ TRP 54 6.435 8.600 2.198 380 HH2 TRP 54 HH TRP 54 8.455 9.366 3.335 381 H ALA 55 H ALA 55 6.250 4.401 -2.723 382 HA ALA 55 HA ALA 55 5.343 4.668 -5.515 383 HB1 ALA 55 3HB ALA 55 4.926 2.420 -5.649 384 HB2 ALA 55 1HB ALA 55 6.315 2.419 -4.562 385 HB3 ALA 55 2HB ALA 55 4.684 2.248 -3.911 386 HA PRO 56 HA PRO 56 1.472 6.126 -4.017 387 HB2 PRO 56 1HB PRO 56 -0.115 5.401 -6.096 388 HB3 PRO 56 2HB PRO 56 1.031 6.743 -6.186 389 HG2 PRO 56 1HG PRO 56 1.320 3.935 -7.182 390 HG3 PRO 56 2HG PRO 56 1.774 5.455 -7.974 391 HD2 PRO 56 1HD PRO 56 3.577 3.873 -6.717 392 HD3 PRO 56 2HD PRO 56 3.735 5.640 -6.777 393 H SER 57 H SER 57 -0.139 5.375 -2.757 394 HA SER 57 HA SER 57 -0.274 2.644 -2.075 395 HB2 SER 57 1HB SER 57 -2.021 3.255 -0.569 396 HB3 SER 57 2HB SER 57 -0.908 4.622 -0.612 397 HG SER 57 HG SER 57 -3.361 4.384 -2.022 398 H HIS 58 H HIS 58 -1.695 4.399 -4.616 399 HA HIS 58 HA HIS 58 -4.103 2.981 -4.972 400 HB2 HIS 58 1HB HIS 58 -2.415 4.242 -7.139 401 HB3 HIS 58 2HB HIS 58 -4.145 3.916 -7.196 402 HD1 HIS 58 1HD HIS 58 -1.692 6.087 -5.278 403 HD2 HIS 58 2HD HIS 58 -5.699 5.988 -6.370 404 HE1 HIS 58 1HE HIS 58 -2.645 8.294 -4.539 405 HE2 HIS 58 2HE HIS 58 -5.089 8.177 -5.133 406 H TYR 59 H TYR 59 -0.798 2.291 -5.868 407 HA TYR 59 HA TYR 59 -1.530 0.076 -7.579 408 HB2 TYR 59 1HB TYR 59 1.106 1.191 -6.635 409 HB3 TYR 59 2HB TYR 59 1.001 -0.300 -7.565 410 HD1 TYR 59 1HD TYR 59 -0.513 3.119 -7.785 411 HD2 TYR 59 2HD TYR 59 1.510 -0.042 -9.791 412 HE1 TYR 59 1HE TYR 59 -0.546 4.427 -9.868 413 HE2 TYR 59 2HE TYR 59 1.484 1.258 -11.878 414 HH TYR 59 HH TYR 59 -0.426 3.609 -12.556 415 H LEU 60 H LEU 60 -0.309 0.580 -4.320 416 HA LEU 60 HA LEU 60 0.191 -2.177 -3.782 417 HB2 LEU 60 1HB LEU 60 -0.260 0.102 -1.861 418 HB3 LEU 60 2HB LEU 60 0.419 -1.474 -1.457 419 HG LEU 60 HG LEU 60 1.705 0.535 -3.306 420 HD11 LEU 60 1HD1 LEU 60 1.468 0.856 -0.644 421 HD12 LEU 60 2HD1 LEU 60 2.859 1.404 -1.579 422 HD13 LEU 60 3HD1 LEU 60 2.929 -0.129 -0.711 423 HD21 LEU 60 3HD2 LEU 60 3.100 -1.091 -3.879 424 HD22 LEU 60 1HD2 LEU 60 2.127 -2.233 -2.953 425 HD23 LEU 60 2HD2 LEU 60 3.478 -1.400 -2.184 426 H VAL 61 H VAL 61 -1.051 -3.668 -2.700 427 HA VAL 61 HA VAL 61 -3.914 -3.196 -2.763 428 HB VAL 61 HB VAL 61 -2.338 -5.689 -2.108 429 HG11 VAL 61 1HG1 VAL 61 -4.219 -6.733 -1.514 430 HG12 VAL 61 2HG1 VAL 61 -4.931 -5.127 -1.355 431 HG13 VAL 61 3HG1 VAL 61 -5.126 -6.034 -2.855 432 HG21 VAL 61 3HG2 VAL 61 -3.372 -6.412 -4.329 433 HG22 VAL 61 1HG2 VAL 61 -3.714 -4.701 -4.588 434 HG23 VAL 61 2HG2 VAL 61 -2.048 -5.249 -4.395 435 H LEU 62 H LEU 62 -5.035 -2.536 -1.062 436 HA LEU 62 HA LEU 62 -3.816 -2.596 1.582 437 HB2 LEU 62 1HB LEU 62 -6.298 -1.283 0.499 438 HB3 LEU 62 2HB LEU 62 -5.850 -1.245 2.203 439 HG LEU 62 HG LEU 62 -3.600 -0.252 1.187 440 HD11 LEU 62 1HD1 LEU 62 -3.742 0.165 -0.991 441 HD12 LEU 62 2HD1 LEU 62 -4.925 1.412 -0.598 442 HD13 LEU 62 3HD1 LEU 62 -5.465 -0.213 -1.020 443 HD21 LEU 62 3HD2 LEU 62 -6.162 0.997 2.019 444 HD22 LEU 62 1HD2 LEU 62 -4.917 2.042 1.335 445 HD23 LEU 62 2HD2 LEU 62 -4.566 1.074 2.768 446 H ASP 63 H ASP 63 -5.100 -3.257 3.460 447 HA ASP 63 HA ASP 63 -6.477 -5.760 2.905 448 HB2 ASP 63 1HB ASP 63 -5.173 -4.529 5.282 449 HB3 ASP 63 2HB ASP 63 -6.468 -5.687 5.574 450 H GLU 64 H GLU 64 -7.877 -3.424 2.150 451 HA GLU 64 HA GLU 64 -9.939 -3.088 4.196 452 HB2 GLU 64 1HB GLU 64 -10.778 -1.272 2.788 453 HB3 GLU 64 2HB GLU 64 -9.068 -1.061 3.136 454 HG2 GLU 64 1HG GLU 64 -9.122 -0.566 0.909 455 HG3 GLU 64 2HG GLU 64 -8.749 -2.287 0.855 456 H ASN 65 H ASN 65 -12.242 -2.861 3.183 457 HA ASN 65 HA ASN 65 -13.306 -5.251 2.605 458 HB2 ASN 65 1HB ASN 65 -14.819 -3.471 2.922 459 HB3 ASN 65 2HB ASN 65 -14.124 -2.532 1.604 460 HD21 ASN 65 1HD2 ASN 65 -16.588 -4.587 2.515 461 HD22 ASN 65 2HD2 ASN 65 -17.197 -4.980 0.947 462 H GLU 66 H GLU 66 -12.987 -6.751 1.111 463 HA GLU 66 HA GLU 66 -11.518 -6.193 -1.284 464 HB2 GLU 66 1HB GLU 66 -12.641 -8.614 0.028 465 HB3 GLU 66 2HB GLU 66 -12.324 -8.704 -1.698 466 HG2 GLU 66 1HG GLU 66 -10.224 -7.727 0.191 467 HG3 GLU 66 2HG GLU 66 -10.497 -9.451 -0.050 468 H GLN 67 H GLN 67 -12.262 -6.756 -3.449 469 HA GLN 67 HA GLN 67 -15.095 -6.055 -3.805 470 HB2 GLN 67 1HB GLN 67 -14.449 -5.327 -6.070 471 HB3 GLN 67 2HB GLN 67 -13.563 -4.466 -4.819 472 HG2 GLN 67 1HG GLN 67 -12.414 -6.874 -6.180 473 HG3 GLN 67 2HG GLN 67 -12.277 -5.259 -6.875 474 HE21 GLN 67 1HE2 GLN 67 -11.730 -3.638 -4.888 475 HE22 GLN 67 2HE2 GLN 67 -10.286 -4.091 -4.054 476 HA PRO 68 HA PRO 68 -16.006 -10.011 -5.483 477 HB2 PRO 68 1HB PRO 68 -18.016 -9.363 -7.190 478 HB3 PRO 68 2HB PRO 68 -18.213 -9.374 -5.433 479 HG2 PRO 68 1HG PRO 68 -17.724 -7.062 -7.270 480 HG3 PRO 68 2HG PRO 68 -18.841 -7.184 -5.899 481 HD2 PRO 68 1HD PRO 68 -16.441 -5.942 -5.718 482 HD3 PRO 68 2HD PRO 68 -17.178 -6.799 -4.349 483 H ASP 69 H ASP 69 -13.940 -10.204 -6.592 484 HA ASP 69 HA ASP 69 -14.300 -10.421 -9.448 485 HB2 ASP 69 1HB ASP 69 -12.547 -8.347 -8.222 486 HB3 ASP 69 2HB ASP 69 -11.950 -9.184 -9.652 487 HA PRO 70 HA PRO 70 -11.580 -13.832 -9.009 488 HB2 PRO 70 1HB PRO 70 -10.232 -13.815 -11.366 489 HB3 PRO 70 2HB PRO 70 -11.932 -14.279 -11.235 490 HG2 PRO 70 1HG PRO 70 -10.741 -11.667 -12.083 491 HG3 PRO 70 2HG PRO 70 -12.099 -12.560 -12.792 492 HD2 PRO 70 1HD PRO 70 -12.451 -10.442 -11.142 493 HD3 PRO 70 2HD PRO 70 -13.589 -11.803 -11.205 494 H SER 71 H SER 71 -10.002 -13.691 -7.526 495 HA SER 71 HA SER 71 -7.854 -11.764 -7.803 496 HB2 SER 71 1HB SER 71 -9.082 -12.571 -5.612 497 HB3 SER 71 2HB SER 71 -7.882 -13.861 -5.668 498 HG SER 71 HG SER 71 -6.328 -12.461 -5.251 499 H GLY 72 H GLY 72 -5.601 -12.766 -7.038 500 HA2 GLY 72 1HA GLY 72 -5.105 -15.275 -8.482 501 HA3 GLY 72 2HA GLY 72 -4.206 -13.842 -8.954 502 H LYS 73 H LYS 73 -5.081 -15.436 -5.884 503 HA LYS 73 HA LYS 73 -2.252 -15.686 -5.232 504 HB2 LYS 73 1HB LYS 73 -2.909 -13.486 -4.339 505 HB3 LYS 73 2HB LYS 73 -4.209 -14.247 -3.430 506 HG2 LYS 73 1HG LYS 73 -2.566 -14.000 -1.836 507 HG3 LYS 73 2HG LYS 73 -2.314 -15.662 -2.376 508 HD2 LYS 73 1HD LYS 73 -0.636 -14.632 -4.042 509 HD3 LYS 73 2HD LYS 73 -0.704 -13.208 -3.000 510 HE2 LYS 73 1HE LYS 73 -0.018 -15.996 -2.075 511 HE3 LYS 73 2HE LYS 73 1.162 -14.741 -2.450 512 HZ1 LYS 73 3HZ LYS 73 0.915 -13.921 -0.424 513 HZ2 LYS 73 1HZ LYS 73 -0.151 -15.178 -0.039 514 HZ3 LYS 73 2HZ LYS 73 -0.749 -13.720 -0.653 515 H GLU 74 H GLU 74 -1.814 -17.214 -3.582 516 HA GLU 74 HA GLU 74 -4.101 -18.953 -2.926 517 HB2 GLU 74 1HB GLU 74 -2.595 -20.010 -4.545 518 HB3 GLU 74 2HB GLU 74 -1.236 -19.756 -3.460 519 HG2 GLU 74 1HG GLU 74 -1.702 -21.917 -2.968 520 HG3 GLU 74 2HG GLU 74 -2.758 -21.127 -1.799 521 H SER 75 H SER 75 -4.256 -19.765 -0.864 522 HA SER 75 HA SER 75 -2.190 -19.561 1.076 523 HB2 SER 75 1HB SER 75 -3.156 -17.847 2.515 524 HB3 SER 75 2HB SER 75 -2.821 -17.165 0.923 525 HG SER 75 HG SER 75 -5.321 -17.956 1.995 526 H GLY 76 H GLY 76 -2.852 -20.351 3.180 527 HA2 GLY 76 1HA GLY 76 -5.525 -21.537 3.315 528 HA3 GLY 76 2HA GLY 76 -4.150 -22.629 3.376 529 HA PRO 77 HA PRO 77 -5.311 -20.996 7.658 530 HB2 PRO 77 1HB PRO 77 -6.157 -23.356 8.700 531 HB3 PRO 77 2HB PRO 77 -7.238 -22.229 7.873 532 HG2 PRO 77 1HG PRO 77 -5.926 -24.707 6.826 533 HG3 PRO 77 2HG PRO 77 -7.590 -24.138 6.594 534 HD2 PRO 77 1HD PRO 77 -5.667 -23.824 4.713 535 HD3 PRO 77 2HD PRO 77 -6.986 -22.656 4.936 536 H SER 78 H SER 78 -3.589 -20.847 8.939 537 HA SER 78 HA SER 78 -1.376 -22.645 8.701 538 HB2 SER 78 1HB SER 78 -1.913 -20.341 10.586 539 HB3 SER 78 2HB SER 78 -0.397 -21.241 10.543 540 HG SER 78 HG SER 78 -1.099 -19.202 9.033 541 H SER 79 H SER 79 -3.398 -21.743 11.501 542 HA SER 79 HA SER 79 -2.505 -23.594 13.313 543 HB2 SER 79 1HB SER 79 -4.585 -23.319 14.485 544 HB3 SER 79 2HB SER 79 -4.196 -21.774 13.730 545 HG SER 79 HG SER 79 -5.742 -22.120 12.210 546 H GLY 80 H GLY 80 -2.550 -25.740 13.497 547 HA2 GLY 80 1HA GLY 80 -4.238 -27.667 13.285 548 HA3 GLY 80 2HA GLY 80 -4.208 -27.241 11.580 Start of MODEL 4 1 H1 GLY 1 H GLY 1 15.601 -0.888 28.034 2 HA2 GLY 1 1HA GLY 1 13.402 -0.733 28.855 3 HA3 GLY 1 2HA GLY 1 14.002 0.188 30.226 4 H SER 2 H SER 2 13.939 0.527 26.673 5 HA SER 2 HA SER 2 12.751 3.187 27.032 6 HB2 SER 2 1HB SER 2 15.237 2.503 25.479 7 HB3 SER 2 2HB SER 2 14.256 3.906 25.055 8 HG SER 2 HG SER 2 15.022 4.920 26.726 9 H SER 3 H SER 3 11.405 3.876 25.366 10 HA SER 3 HA SER 3 10.151 1.784 23.876 11 HB2 SER 3 1HB SER 3 8.721 3.635 22.986 12 HB3 SER 3 2HB SER 3 8.788 3.582 24.747 13 HG SER 3 HG SER 3 9.068 5.704 23.998 14 H GLY 4 H GLY 4 11.231 0.929 22.202 15 HA2 GLY 4 1HA GLY 4 11.883 2.687 19.971 16 HA3 GLY 4 2HA GLY 4 13.223 1.781 20.657 17 H SER 5 H SER 5 9.846 1.087 19.733 18 HA SER 5 HA SER 5 10.843 -1.314 18.345 19 HB2 SER 5 1HB SER 5 9.435 -1.885 20.262 20 HB3 SER 5 2HB SER 5 8.145 -0.854 19.643 21 HG SER 5 HG SER 5 8.943 -3.379 18.839 22 H SER 6 H SER 6 11.173 -0.188 16.391 23 HA SER 6 HA SER 6 9.058 1.281 15.136 24 HB2 SER 6 1HB SER 6 10.591 1.252 13.148 25 HB3 SER 6 2HB SER 6 11.335 1.884 14.616 26 HG SER 6 HG SER 6 11.809 -0.514 13.261 27 H GLY 7 H GLY 7 7.384 0.474 14.067 28 HA2 GLY 7 1HA GLY 7 7.621 -2.262 12.974 29 HA3 GLY 7 2HA GLY 7 6.142 -1.633 13.685 30 H ALA 8 H ALA 8 6.319 -2.752 11.100 31 HA ALA 8 HA ALA 8 5.327 -0.492 9.557 32 HB1 ALA 8 3HB ALA 8 6.759 -1.723 7.605 33 HB2 ALA 8 1HB ALA 8 7.283 -0.283 8.478 34 HB3 ALA 8 2HB ALA 8 7.847 -1.877 8.983 35 H THR 9 H THR 9 4.429 -1.313 7.393 36 HA THR 9 HA THR 9 3.232 -3.979 7.775 37 HB THR 9 HB THR 9 1.878 -1.494 6.711 38 HG1 THR 9 1HG THR 9 0.719 -1.584 8.573 39 HG21 THR 9 3HG2 THR 9 1.013 -4.374 6.756 40 HG22 THR 9 1HG2 THR 9 1.036 -3.257 5.393 41 HG23 THR 9 2HG2 THR 9 -0.147 -3.048 6.685 42 H SER 10 H SER 10 3.412 -5.345 6.112 43 HA SER 10 HA SER 10 4.680 -4.381 3.669 44 HB2 SER 10 1HB SER 10 5.642 -6.355 4.769 45 HB3 SER 10 2HB SER 10 4.105 -7.204 4.604 46 HG SER 10 HG SER 10 4.370 -6.898 2.292 47 H TYR 11 H TYR 11 3.703 -4.261 1.737 48 HA TYR 11 HA TYR 11 0.925 -5.229 1.557 49 HB2 TYR 11 1HB TYR 11 2.222 -2.826 0.260 50 HB3 TYR 11 2HB TYR 11 0.608 -3.406 -0.137 51 HD1 TYR 11 2HD TYR 11 2.589 -2.499 2.907 52 HD2 TYR 11 1HD TYR 11 -1.157 -2.346 0.894 53 HE1 TYR 11 2HE TYR 11 1.661 -1.158 4.748 54 HE2 TYR 11 1HE TYR 11 -2.095 -1.004 2.729 55 HH TYR 11 HH TYR 11 -1.737 -0.419 4.952 56 H MET 12 H MET 12 0.282 -5.353 -0.908 57 HA MET 12 HA MET 12 2.425 -6.799 -2.321 58 HB2 MET 12 1HB MET 12 0.874 -8.439 -1.514 59 HB3 MET 12 2HB MET 12 -0.501 -7.503 -2.085 60 HG2 MET 12 1HG MET 12 -0.197 -8.119 -4.267 61 HG3 MET 12 2HG MET 12 1.528 -8.411 -4.058 62 HE1 MET 12 3HE MET 12 2.565 -10.262 -3.864 63 HE2 MET 12 1HE MET 12 2.015 -11.871 -3.395 64 HE3 MET 12 2HE MET 12 1.688 -11.266 -5.019 65 H THR 13 H THR 13 2.811 -6.187 -4.359 66 HA THR 13 HA THR 13 1.323 -3.969 -5.454 67 HB THR 13 HB THR 13 3.015 -3.774 -7.086 68 HG1 THR 13 1HG THR 13 3.793 -5.522 -7.971 69 HG21 THR 13 3HG2 THR 13 4.239 -4.815 -4.531 70 HG22 THR 13 1HG2 THR 13 3.842 -3.141 -4.917 71 HG23 THR 13 2HG2 THR 13 5.137 -3.964 -5.787 72 H CYS 14 H CYS 14 -0.213 -4.049 -6.970 73 HA CYS 14 HA CYS 14 -0.846 -6.661 -8.144 74 HB2 CYS 14 1HB CYS 14 -3.072 -5.759 -8.564 75 HB3 CYS 14 2HB CYS 14 -2.638 -5.540 -6.873 76 HG CYS 14 HG CYS 14 -2.657 -2.929 -6.818 77 H SER 15 H SER 15 0.381 -3.567 -8.916 78 HA SER 15 HA SER 15 0.424 -4.296 -11.753 79 HB2 SER 15 1HB SER 15 -0.812 -1.861 -10.560 80 HB3 SER 15 2HB SER 15 0.079 -1.668 -12.070 81 HG SER 15 HG SER 15 -1.831 -3.717 -11.792 82 H ALA 16 H ALA 16 2.054 -3.121 -12.987 83 HA ALA 16 HA ALA 16 4.480 -2.827 -11.466 84 HB1 ALA 16 3HB ALA 16 4.027 -3.754 -13.928 85 HB2 ALA 16 1HB ALA 16 4.431 -2.084 -14.330 86 HB3 ALA 16 2HB ALA 16 5.579 -3.078 -13.433 87 H TYR 17 H TYR 17 5.295 -1.003 -10.680 88 HA TYR 17 HA TYR 17 4.096 1.541 -11.518 89 HB2 TYR 17 1HB TYR 17 3.887 1.348 -9.192 90 HB3 TYR 17 2HB TYR 17 5.489 0.641 -9.012 91 HD1 TYR 17 1HD TYR 17 3.622 3.770 -9.508 92 HD2 TYR 17 2HD TYR 17 7.448 2.029 -8.848 93 HE1 TYR 17 1HE TYR 17 4.534 5.991 -8.974 94 HE2 TYR 17 2HE TYR 17 8.370 4.245 -8.310 95 HH TYR 17 HH TYR 17 7.859 6.610 -8.764 96 H GLN 18 H GLN 18 5.282 3.174 -12.370 97 HA GLN 18 HA GLN 18 8.079 2.555 -13.018 98 HB2 GLN 18 1HB GLN 18 6.344 3.020 -14.844 99 HB3 GLN 18 2HB GLN 18 6.399 4.695 -14.310 100 HG2 GLN 18 1HG GLN 18 8.997 4.332 -14.631 101 HG3 GLN 18 2HG GLN 18 8.433 3.091 -15.750 102 HE21 GLN 18 1HE2 GLN 18 9.486 6.124 -15.650 103 HE22 GLN 18 2HE2 GLN 18 8.632 6.809 -16.986 104 H LYS 19 H LYS 19 9.619 3.596 -11.959 105 HA LYS 19 HA LYS 19 9.043 5.721 -10.150 106 HB2 LYS 19 1HB LYS 19 11.472 5.744 -9.745 107 HB3 LYS 19 2HB LYS 19 10.810 4.116 -9.670 108 HG2 LYS 19 1HG LYS 19 12.669 3.717 -10.912 109 HG3 LYS 19 2HG LYS 19 11.529 4.083 -12.208 110 HD2 LYS 19 1HD LYS 19 13.259 5.443 -12.824 111 HD3 LYS 19 2HD LYS 19 12.374 6.550 -11.771 112 HE2 LYS 19 1HE LYS 19 13.853 6.037 -9.929 113 HE3 LYS 19 2HE LYS 19 14.683 4.817 -10.894 114 HZ1 LYS 19 3HZ LYS 19 15.031 6.880 -12.469 115 HZ2 LYS 19 1HZ LYS 19 16.084 6.560 -11.185 116 HZ3 LYS 19 2HZ LYS 19 14.876 7.731 -11.016 117 H VAL 20 H VAL 20 9.787 7.875 -10.211 118 HA VAL 20 HA VAL 20 10.244 8.889 -12.938 119 HB VAL 20 HB VAL 20 8.150 9.651 -11.829 120 HG11 VAL 20 1HG1 VAL 20 8.916 9.701 -9.530 121 HG12 VAL 20 2HG1 VAL 20 10.058 10.991 -9.914 122 HG13 VAL 20 3HG1 VAL 20 8.322 11.292 -10.003 123 HG21 VAL 20 3HG2 VAL 20 9.724 12.134 -12.006 124 HG22 VAL 20 1HG2 VAL 20 9.850 11.052 -13.393 125 HG23 VAL 20 2HG2 VAL 20 8.271 11.645 -12.878 126 H GLN 21 H GLN 21 11.227 9.214 -9.559 127 HA GLN 21 HA GLN 21 13.598 10.714 -10.455 128 HB2 GLN 21 1HB GLN 21 11.995 10.796 -7.927 129 HB3 GLN 21 2HB GLN 21 13.694 11.249 -7.891 130 HG2 GLN 21 1HG GLN 21 13.304 12.987 -9.521 131 HG3 GLN 21 2HG GLN 21 11.618 12.497 -9.676 132 HE21 GLN 21 1HE2 GLN 21 11.246 14.770 -9.145 133 HE22 GLN 21 2HE2 GLN 21 11.186 15.234 -7.483 134 H ASP 22 H ASP 22 15.635 10.175 -9.580 135 HA ASP 22 HA ASP 22 16.324 7.532 -9.503 136 HB2 ASP 22 1HB ASP 22 17.668 9.808 -8.030 137 HB3 ASP 22 2HB ASP 22 18.400 8.235 -8.338 138 H SER 23 H SER 23 15.007 9.465 -6.924 139 HA SER 23 HA SER 23 15.688 7.782 -4.760 140 HB2 SER 23 1HB SER 23 13.615 9.911 -5.189 141 HB3 SER 23 2HB SER 23 13.588 8.937 -3.720 142 HG SER 23 HG SER 23 15.179 11.008 -4.344 143 H GLU 24 H GLU 24 12.772 7.991 -6.777 144 HA GLU 24 HA GLU 24 11.435 5.849 -5.450 145 HB2 GLU 24 1HB GLU 24 10.953 7.178 -8.119 146 HB3 GLU 24 2HB GLU 24 9.901 5.944 -7.439 147 HG2 GLU 24 1HG GLU 24 8.848 7.923 -6.872 148 HG3 GLU 24 2HG GLU 24 9.727 7.495 -5.405 149 H ILE 25 H ILE 25 10.787 3.828 -6.536 150 HA ILE 25 HA ILE 25 12.746 2.848 -8.486 151 HB ILE 25 HB ILE 25 13.737 1.920 -6.620 152 HG12 ILE 25 1HG1 ILE 25 12.760 0.206 -8.332 153 HG13 ILE 25 2HG1 ILE 25 13.456 -0.378 -6.824 154 HG21 ILE 25 1HG2 ILE 25 11.962 0.730 -4.933 155 HG22 ILE 25 2HG2 ILE 25 12.634 2.345 -4.716 156 HG23 ILE 25 3HG2 ILE 25 11.054 2.142 -5.471 157 HD11 ILE 25 3HD1 ILE 25 10.609 0.204 -6.635 158 HD12 ILE 25 1HD1 ILE 25 11.003 -1.047 -7.814 159 HD13 ILE 25 2HD1 ILE 25 11.516 -1.224 -6.136 160 H SER 26 H SER 26 11.968 1.388 -9.947 161 HA SER 26 HA SER 26 9.074 1.043 -9.985 162 HB2 SER 26 1HB SER 26 9.300 0.509 -12.298 163 HB3 SER 26 2HB SER 26 10.397 1.856 -11.996 164 HG SER 26 HG SER 26 11.410 0.217 -13.211 165 H PHE 27 H PHE 27 8.057 -0.826 -9.612 166 HA PHE 27 HA PHE 27 9.674 -3.282 -9.453 167 HB2 PHE 27 1HB PHE 27 7.992 -3.959 -7.621 168 HB3 PHE 27 2HB PHE 27 9.248 -2.800 -7.197 169 HD1 PHE 27 1HD PHE 27 5.684 -3.124 -8.125 170 HD2 PHE 27 2HD PHE 27 8.704 -0.647 -6.433 171 HE1 PHE 27 1HE PHE 27 3.958 -1.542 -7.367 172 HE2 PHE 27 2HE PHE 27 6.983 0.938 -5.672 173 HZ PHE 27 HZ PHE 27 4.607 0.491 -6.138 174 HA PRO 28 HA PRO 28 6.749 -5.082 -12.195 175 HB2 PRO 28 1HB PRO 28 7.014 -7.696 -11.511 176 HB3 PRO 28 2HB PRO 28 8.242 -6.813 -12.426 177 HG2 PRO 28 1HG PRO 28 8.154 -7.452 -9.503 178 HG3 PRO 28 2HG PRO 28 9.523 -7.540 -10.627 179 HD2 PRO 28 1HD PRO 28 9.174 -5.471 -8.915 180 HD3 PRO 28 2HD PRO 28 9.926 -5.274 -10.511 181 H ALA 29 H ALA 29 4.835 -6.573 -12.214 182 HA ALA 29 HA ALA 29 3.171 -6.003 -9.893 183 HB1 ALA 29 3HB ALA 29 2.569 -6.983 -12.669 184 HB2 ALA 29 1HB ALA 29 1.350 -6.945 -11.394 185 HB3 ALA 29 2HB ALA 29 2.120 -5.449 -11.924 186 H GLY 30 H GLY 30 3.270 -7.429 -8.276 187 HA2 GLY 30 1HA GLY 30 2.311 -9.657 -7.680 188 HA3 GLY 30 2HA GLY 30 3.309 -10.301 -8.975 189 H VAL 31 H VAL 31 4.406 -7.799 -6.787 190 HA VAL 31 HA VAL 31 6.138 -9.770 -5.449 191 HB VAL 31 HB VAL 31 7.923 -8.018 -5.388 192 HG11 VAL 31 1HG1 VAL 31 7.980 -9.870 -6.991 193 HG12 VAL 31 2HG1 VAL 31 7.064 -8.898 -8.144 194 HG13 VAL 31 3HG1 VAL 31 8.689 -8.404 -7.667 195 HG21 VAL 31 3HG2 VAL 31 7.585 -6.339 -7.397 196 HG22 VAL 31 1HG2 VAL 31 5.882 -6.576 -7.001 197 HG23 VAL 31 2HG2 VAL 31 6.995 -5.963 -5.778 198 H GLU 32 H GLU 32 6.758 -9.275 -3.308 199 HA GLU 32 HA GLU 32 4.844 -7.555 -1.933 200 HB2 GLU 32 1HB GLU 32 5.333 -9.957 -1.236 201 HB3 GLU 32 2HB GLU 32 6.887 -9.369 -0.660 202 HG2 GLU 32 1HG GLU 32 5.963 -8.206 1.080 203 HG3 GLU 32 2HG GLU 32 4.411 -8.009 0.269 204 H VAL 33 H VAL 33 5.410 -5.858 -0.602 205 HA VAL 33 HA VAL 33 8.242 -5.074 -0.551 206 HB VAL 33 HB VAL 33 7.503 -2.686 -0.862 207 HG11 VAL 33 1HG1 VAL 33 8.598 -3.510 -2.709 208 HG12 VAL 33 2HG1 VAL 33 7.392 -4.766 -2.998 209 HG13 VAL 33 3HG1 VAL 33 7.033 -3.087 -3.403 210 HG21 VAL 33 3HG2 VAL 33 4.964 -3.982 -1.850 211 HG22 VAL 33 1HG2 VAL 33 5.122 -3.045 -0.364 212 HG23 VAL 33 2HG2 VAL 33 5.361 -2.265 -1.928 213 H GLN 34 H GLN 34 8.501 -3.110 0.988 214 HA GLN 34 HA GLN 34 6.792 -3.523 3.351 215 HB2 GLN 34 1HB GLN 34 9.120 -4.518 3.505 216 HB3 GLN 34 2HB GLN 34 9.735 -2.871 3.455 217 HG2 GLN 34 1HG GLN 34 8.910 -2.353 5.541 218 HG3 GLN 34 2HG GLN 34 7.684 -3.618 5.485 219 HE21 GLN 34 1HE2 GLN 34 9.436 -3.158 7.641 220 HE22 GLN 34 2HE2 GLN 34 10.452 -4.545 7.810 221 H VAL 35 H VAL 35 5.746 -1.753 3.944 222 HA VAL 35 HA VAL 35 6.469 0.821 2.850 223 HB VAL 35 HB VAL 35 4.222 -0.012 4.686 224 HG11 VAL 35 1HG1 VAL 35 4.966 2.351 5.024 225 HG12 VAL 35 2HG1 VAL 35 4.574 2.657 3.331 226 HG13 VAL 35 3HG1 VAL 35 3.304 2.182 4.459 227 HG21 VAL 35 3HG2 VAL 35 2.810 0.263 2.748 228 HG22 VAL 35 1HG2 VAL 35 4.180 0.822 1.788 229 HG23 VAL 35 2HG2 VAL 35 4.124 -0.847 2.356 230 H LEU 36 H LEU 36 8.071 1.928 3.768 231 HA LEU 36 HA LEU 36 8.715 1.633 6.563 232 HB2 LEU 36 1HB LEU 36 9.857 3.551 4.539 233 HB3 LEU 36 2HB LEU 36 10.548 3.142 6.107 234 HG LEU 36 HG LEU 36 10.228 1.194 3.826 235 HD11 LEU 36 1HD1 LEU 36 11.903 3.265 3.718 236 HD12 LEU 36 2HD1 LEU 36 12.313 1.672 3.085 237 HD13 LEU 36 3HD1 LEU 36 12.890 2.162 4.678 238 HD21 LEU 36 3HD2 LEU 36 11.183 -0.382 5.144 239 HD22 LEU 36 1HD2 LEU 36 10.434 0.579 6.418 240 HD23 LEU 36 2HD2 LEU 36 12.144 0.791 6.045 241 H GLU 37 H GLU 37 7.674 4.329 4.477 242 HA GLU 37 HA GLU 37 6.435 5.561 6.840 243 HB2 GLU 37 1HB GLU 37 8.679 6.609 6.131 244 HB3 GLU 37 2HB GLU 37 7.804 7.213 4.731 245 HG2 GLU 37 1HG GLU 37 8.044 8.775 6.712 246 HG3 GLU 37 2HG GLU 37 6.429 8.581 6.033 247 H LYS 38 H LYS 38 4.770 7.172 6.283 248 HA LYS 38 HA LYS 38 3.567 6.725 3.638 249 HB2 LYS 38 1HB LYS 38 2.251 6.466 6.332 250 HB3 LYS 38 2HB LYS 38 1.316 6.809 4.883 251 HG2 LYS 38 1HG LYS 38 2.546 4.712 3.937 252 HG3 LYS 38 2HG LYS 38 2.796 4.336 5.644 253 HD2 LYS 38 1HD LYS 38 0.219 4.861 5.792 254 HD3 LYS 38 2HD LYS 38 0.266 4.467 4.072 255 HE2 LYS 38 1HE LYS 38 1.503 2.654 6.115 256 HE3 LYS 38 2HE LYS 38 -0.223 2.582 5.762 257 HZ1 LYS 38 3HZ LYS 38 1.587 2.530 3.479 258 HZ2 LYS 38 1HZ LYS 38 0.136 1.699 3.729 259 HZ3 LYS 38 2HZ LYS 38 1.561 1.148 4.454 260 H GLN 39 H GLN 39 2.747 8.504 2.674 261 HA GLN 39 HA GLN 39 2.886 11.018 4.194 262 HB2 GLN 39 1HB GLN 39 3.057 10.520 1.218 263 HB3 GLN 39 2HB GLN 39 3.058 12.113 1.964 264 HG2 GLN 39 1HG GLN 39 5.101 10.012 2.614 265 HG3 GLN 39 2HG GLN 39 5.303 11.176 1.306 266 HE21 GLN 39 1HE2 GLN 39 6.877 10.808 3.728 267 HE22 GLN 39 2HE2 GLN 39 6.840 12.321 4.560 268 H GLU 40 H GLU 40 1.288 12.678 3.678 269 HA GLU 40 HA GLU 40 -1.349 11.668 3.814 270 HB2 GLU 40 1HB GLU 40 -0.148 14.399 3.568 271 HB3 GLU 40 2HB GLU 40 -1.880 14.196 3.350 272 HG2 GLU 40 1HG GLU 40 -2.182 13.441 5.548 273 HG3 GLU 40 2HG GLU 40 -0.457 13.156 5.775 274 H SER 41 H SER 41 0.158 13.704 1.298 275 HA SER 41 HA SER 41 -1.718 13.848 -0.594 276 HB2 SER 41 1HB SER 41 0.633 14.648 -0.845 277 HB3 SER 41 2HB SER 41 1.117 12.995 -1.226 278 HG SER 41 HG SER 41 0.455 14.664 -2.974 279 H GLY 42 H GLY 42 0.183 10.944 0.090 280 HA2 GLY 42 1HA GLY 42 -1.261 8.872 -0.126 281 HA3 GLY 42 2HA GLY 42 -1.569 9.449 -1.757 282 H TRP 43 H TRP 43 1.578 9.932 -0.430 283 HA TRP 43 HA TRP 43 2.601 7.804 -2.191 284 HB2 TRP 43 1HB TRP 43 3.719 10.488 -1.416 285 HB3 TRP 43 2HB TRP 43 4.767 9.211 -2.026 286 HD1 TRP 43 HD TRP 43 1.826 11.433 -3.141 287 HE1 TRP 43 1HE TRP 43 1.827 11.543 -5.712 288 HE3 TRP 43 3HE TRP 43 5.531 8.043 -4.097 289 HZ2 TRP 43 2HZ TRP 43 3.213 10.349 -7.862 290 HZ3 TRP 43 3HZ TRP 43 6.134 7.583 -6.438 291 HH2 TRP 43 HH TRP 43 4.997 8.713 -8.280 292 H TRP 44 H TRP 44 3.388 6.087 -1.186 293 HA TRP 44 HA TRP 44 4.430 6.408 1.550 294 HB2 TRP 44 1HB TRP 44 3.429 3.861 0.266 295 HB3 TRP 44 2HB TRP 44 3.837 4.108 1.962 296 HD1 TRP 44 HD TRP 44 2.128 7.115 1.522 297 HE1 TRP 44 1HE TRP 44 -0.403 6.947 1.960 298 HE3 TRP 44 3HE TRP 44 1.583 2.042 1.195 299 HZ2 TRP 44 2HZ TRP 44 -2.370 4.931 2.144 300 HZ3 TRP 44 3HZ TRP 44 -0.657 1.074 1.515 301 HH2 TRP 44 HH TRP 44 -2.590 2.490 1.980 302 H TYR 45 H TYR 45 6.427 5.623 2.081 303 HA TYR 45 HA TYR 45 8.214 5.088 -0.139 304 HB2 TYR 45 1HB TYR 45 8.693 6.626 1.880 305 HB3 TYR 45 2HB TYR 45 9.013 5.136 2.761 306 HD1 TYR 45 1HD TYR 45 9.846 6.068 -0.753 307 HD2 TYR 45 2HD TYR 45 11.309 5.097 3.123 308 HE1 TYR 45 1HE TYR 45 12.143 6.049 -1.631 309 HE2 TYR 45 2HE TYR 45 13.610 5.077 2.256 310 HH TYR 45 HH TYR 45 14.299 5.215 -1.128 311 H VAL 46 H VAL 46 8.232 3.062 -0.878 312 HA VAL 46 HA VAL 46 8.070 0.839 1.031 313 HB VAL 46 HB VAL 46 7.865 -0.529 -1.148 314 HG11 VAL 46 1HG1 VAL 46 5.420 0.091 -1.329 315 HG12 VAL 46 2HG1 VAL 46 5.993 -0.335 0.285 316 HG13 VAL 46 3HG1 VAL 46 5.747 1.358 -0.146 317 HG21 VAL 46 3HG2 VAL 46 7.359 0.526 -3.135 318 HG22 VAL 46 1HG2 VAL 46 6.856 2.017 -2.337 319 HG23 VAL 46 2HG2 VAL 46 8.569 1.617 -2.459 320 H ARG 47 H ARG 47 9.393 -1.140 0.331 321 HA ARG 47 HA ARG 47 12.032 -0.342 -0.684 322 HB2 ARG 47 1HB ARG 47 12.369 -0.321 1.661 323 HB3 ARG 47 2HB ARG 47 11.426 -1.788 1.887 324 HG2 ARG 47 1HG ARG 47 13.136 -3.140 0.971 325 HG3 ARG 47 2HG ARG 47 14.016 -1.735 0.367 326 HD2 ARG 47 1HD ARG 47 15.140 -2.507 2.324 327 HD3 ARG 47 2HD ARG 47 14.315 -1.005 2.737 328 HE ARG 47 HE ARG 47 12.544 -2.967 3.419 329 HH11 ARG 47 1HH1 ARG 47 15.851 -2.241 4.232 330 HH12 ARG 47 2HH1 ARG 47 15.752 -2.938 5.815 331 HH21 ARG 47 1HH2 ARG 47 12.401 -3.888 5.501 332 HH22 ARG 47 2HH2 ARG 47 13.789 -3.876 6.535 333 H PHE 48 H PHE 48 12.679 -1.628 -2.273 334 HA PHE 48 HA PHE 48 11.544 -4.343 -2.428 335 HB2 PHE 48 1HB PHE 48 10.811 -2.818 -4.245 336 HB3 PHE 48 2HB PHE 48 12.494 -2.602 -4.713 337 HD1 PHE 48 2HD PHE 48 10.331 -5.534 -3.888 338 HD2 PHE 48 1HD PHE 48 13.024 -3.715 -6.637 339 HE1 PHE 48 2HE PHE 48 10.174 -7.510 -5.345 340 HE2 PHE 48 1HE PHE 48 12.870 -5.688 -8.099 341 HZ PHE 48 HZ PHE 48 11.445 -7.590 -7.453 342 H GLY 49 H GLY 49 13.166 -5.427 -1.342 343 HA2 GLY 49 1HA GLY 49 15.083 -6.733 -1.387 344 HA3 GLY 49 2HA GLY 49 15.553 -5.938 -2.882 345 H GLU 50 H GLU 50 17.041 -4.342 -2.826 346 HA GLU 50 HA GLU 50 18.029 -3.557 -0.164 347 HB2 GLU 50 1HB GLU 50 19.549 -4.918 -1.693 348 HB3 GLU 50 2HB GLU 50 19.626 -3.492 -2.719 349 HG2 GLU 50 1HG GLU 50 20.702 -2.225 -1.043 350 HG3 GLU 50 2HG GLU 50 20.363 -3.438 0.190 351 H LEU 51 H LEU 51 16.299 -2.435 -2.727 352 HA LEU 51 HA LEU 51 17.315 0.312 -2.475 353 HB2 LEU 51 1HB LEU 51 15.486 -0.874 -4.557 354 HB3 LEU 51 2HB LEU 51 16.084 0.784 -4.532 355 HG LEU 51 HG LEU 51 18.421 -0.253 -4.694 356 HD11 LEU 51 1HD1 LEU 51 18.421 -2.466 -5.849 357 HD12 LEU 51 2HD1 LEU 51 16.716 -2.624 -5.429 358 HD13 LEU 51 3HD1 LEU 51 17.932 -2.524 -4.155 359 HD21 LEU 51 3HD2 LEU 51 16.681 -0.725 -7.096 360 HD22 LEU 51 1HD2 LEU 51 18.355 -0.174 -7.037 361 HD23 LEU 51 2HD2 LEU 51 17.055 0.898 -6.514 362 H GLU 52 H GLU 52 15.600 2.035 -2.593 363 HA GLU 52 HA GLU 52 13.033 1.256 -1.450 364 HB2 GLU 52 1HB GLU 52 14.960 3.150 -0.099 365 HB3 GLU 52 2HB GLU 52 13.263 3.002 0.333 366 HG2 GLU 52 1HG GLU 52 14.166 1.611 1.878 367 HG3 GLU 52 2HG GLU 52 13.901 0.457 0.572 368 H GLY 53 H GLY 53 11.470 2.321 -2.463 369 HA2 GLY 53 1HA GLY 53 11.999 5.064 -3.394 370 HA3 GLY 53 2HA GLY 53 11.358 3.873 -4.517 371 H TRP 54 H TRP 54 10.081 6.305 -3.876 372 HA TRP 54 HA TRP 54 7.930 5.655 -2.035 373 HB2 TRP 54 1HB TRP 54 8.544 8.119 -3.673 374 HB3 TRP 54 2HB TRP 54 7.112 7.961 -2.660 375 HD1 TRP 54 HD TRP 54 10.897 8.429 -2.444 376 HE1 TRP 54 1HE TRP 54 11.506 9.138 -0.046 377 HE3 TRP 54 3HE TRP 54 6.338 7.781 -0.224 378 HZ2 TRP 54 2HZ TRP 54 10.223 9.389 2.456 379 HZ3 TRP 54 3HZ TRP 54 6.113 8.277 2.176 380 HH2 TRP 54 HH TRP 54 8.017 9.064 3.486 381 H ALA 55 H ALA 55 6.217 4.546 -2.681 382 HA ALA 55 HA ALA 55 5.346 4.805 -5.487 383 HB1 ALA 55 3HB ALA 55 4.640 2.406 -3.866 384 HB2 ALA 55 1HB ALA 55 4.860 2.566 -5.609 385 HB3 ALA 55 2HB ALA 55 6.264 2.540 -4.540 386 HA PRO 56 HA PRO 56 1.510 6.368 -4.001 387 HB2 PRO 56 1HB PRO 56 -0.075 5.716 -6.106 388 HB3 PRO 56 2HB PRO 56 1.110 7.026 -6.165 389 HG2 PRO 56 1HG PRO 56 1.331 4.225 -7.197 390 HG3 PRO 56 2HG PRO 56 1.835 5.742 -7.963 391 HD2 PRO 56 1HD PRO 56 3.579 4.093 -6.710 392 HD3 PRO 56 2HD PRO 56 3.787 5.855 -6.743 393 H SER 57 H SER 57 -0.281 5.683 -2.907 394 HA SER 57 HA SER 57 -0.454 2.949 -2.181 395 HB2 SER 57 1HB SER 57 -2.197 3.596 -0.719 396 HB3 SER 57 2HB SER 57 -1.133 5.000 -0.796 397 HG SER 57 HG SER 57 -2.726 5.496 -2.686 398 H HIS 58 H HIS 58 -1.648 4.650 -4.840 399 HA HIS 58 HA HIS 58 -4.083 3.254 -5.274 400 HB2 HIS 58 1HB HIS 58 -2.397 4.459 -7.458 401 HB3 HIS 58 2HB HIS 58 -4.151 4.314 -7.382 402 HD1 HIS 58 1HD HIS 58 -1.728 6.815 -7.228 403 HD2 HIS 58 2HD HIS 58 -5.036 5.926 -4.876 404 HE1 HIS 58 1HE HIS 58 -2.294 8.951 -6.028 405 HE2 HIS 58 2HE HIS 58 -4.245 8.366 -4.547 406 H TYR 59 H TYR 59 -0.746 2.562 -5.951 407 HA TYR 59 HA TYR 59 -1.406 0.359 -7.733 408 HB2 TYR 59 1HB TYR 59 1.207 1.515 -6.764 409 HB3 TYR 59 2HB TYR 59 1.120 0.050 -7.736 410 HD1 TYR 59 1HD TYR 59 -0.484 3.432 -7.872 411 HD2 TYR 59 2HD TYR 59 1.671 0.402 -9.940 412 HE1 TYR 59 1HE TYR 59 -0.535 4.799 -9.916 413 HE2 TYR 59 2HE TYR 59 1.627 1.761 -11.989 414 HH TYR 59 HH TYR 59 1.262 4.728 -12.222 415 H LEU 60 H LEU 60 -0.097 0.892 -4.497 416 HA LEU 60 HA LEU 60 0.447 -1.833 -3.934 417 HB2 LEU 60 1HB LEU 60 -0.053 0.510 -2.107 418 HB3 LEU 60 2HB LEU 60 0.493 -1.075 -1.562 419 HG LEU 60 HG LEU 60 2.037 0.670 -3.476 420 HD11 LEU 60 1HD1 LEU 60 3.185 1.619 -1.752 421 HD12 LEU 60 2HD1 LEU 60 2.876 0.274 -0.654 422 HD13 LEU 60 3HD1 LEU 60 1.604 1.449 -0.989 423 HD21 LEU 60 3HD2 LEU 60 2.480 -1.768 -3.554 424 HD22 LEU 60 1HD2 LEU 60 2.895 -1.714 -1.841 425 HD23 LEU 60 2HD2 LEU 60 3.867 -0.823 -3.012 426 H VAL 61 H VAL 61 -0.784 -3.412 -3.046 427 HA VAL 61 HA VAL 61 -3.652 -3.010 -3.046 428 HB VAL 61 HB VAL 61 -2.034 -5.499 -2.480 429 HG11 VAL 61 1HG1 VAL 61 -4.995 -5.103 -2.890 430 HG12 VAL 61 2HG1 VAL 61 -4.188 -6.673 -2.887 431 HG13 VAL 61 3HG1 VAL 61 -4.188 -5.677 -1.431 432 HG21 VAL 61 3HG2 VAL 61 -3.632 -4.970 -4.959 433 HG22 VAL 61 1HG2 VAL 61 -1.972 -4.393 -4.813 434 HG23 VAL 61 2HG2 VAL 61 -2.319 -6.119 -4.704 435 H LEU 62 H LEU 62 -4.740 -2.390 -1.310 436 HA LEU 62 HA LEU 62 -3.883 -3.340 1.329 437 HB2 LEU 62 1HB LEU 62 -4.056 -1.215 2.329 438 HB3 LEU 62 2HB LEU 62 -3.065 -1.004 0.887 439 HG LEU 62 HG LEU 62 -5.994 -0.417 0.769 440 HD11 LEU 62 1HD1 LEU 62 -4.737 2.014 1.225 441 HD12 LEU 62 2HD1 LEU 62 -4.081 0.938 2.458 442 HD13 LEU 62 3HD1 LEU 62 -5.825 1.162 2.321 443 HD21 LEU 62 3HD2 LEU 62 -4.291 -0.467 -1.195 444 HD22 LEU 62 1HD2 LEU 62 -3.777 1.092 -0.551 445 HD23 LEU 62 2HD2 LEU 62 -5.446 0.862 -1.075 446 H ASP 63 H ASP 63 -5.525 -3.739 2.772 447 HA ASP 63 HA ASP 63 -7.989 -4.534 1.877 448 HB2 ASP 63 1HB ASP 63 -6.995 -5.043 4.119 449 HB3 ASP 63 2HB ASP 63 -7.459 -3.425 4.639 450 H GLU 64 H GLU 64 -7.299 -1.452 3.537 451 HA GLU 64 HA GLU 64 -9.900 -0.397 3.107 452 HB2 GLU 64 1HB GLU 64 -8.452 0.391 4.922 453 HB3 GLU 64 2HB GLU 64 -7.313 1.030 3.745 454 HG2 GLU 64 1HG GLU 64 -8.666 2.806 4.662 455 HG3 GLU 64 2HG GLU 64 -9.012 2.594 2.947 456 H ASN 65 H ASN 65 -10.224 -0.767 0.848 457 HA ASN 65 HA ASN 65 -8.666 0.955 -0.948 458 HB2 ASN 65 1HB ASN 65 -10.453 -1.425 -1.441 459 HB3 ASN 65 2HB ASN 65 -9.912 -0.374 -2.747 460 HD21 ASN 65 1HD2 ASN 65 -9.373 -3.238 -1.970 461 HD22 ASN 65 2HD2 ASN 65 -7.651 -3.369 -2.006 462 H GLU 66 H GLU 66 -9.680 2.913 -0.319 463 HA GLU 66 HA GLU 66 -11.929 3.609 -1.890 464 HB2 GLU 66 1HB GLU 66 -13.222 2.467 -0.207 465 HB3 GLU 66 2HB GLU 66 -12.380 3.316 1.082 466 HG2 GLU 66 1HG GLU 66 -13.350 5.431 0.300 467 HG3 GLU 66 2HG GLU 66 -14.229 4.550 -0.947 468 H GLN 67 H GLN 67 -11.357 5.572 -2.523 469 HA GLN 67 HA GLN 67 -9.423 7.198 -1.537 470 HB2 GLN 67 1HB GLN 67 -11.978 7.868 -2.973 471 HB3 GLN 67 2HB GLN 67 -10.830 9.124 -2.529 472 HG2 GLN 67 1HG GLN 67 -10.439 8.476 -4.797 473 HG3 GLN 67 2HG GLN 67 -9.086 7.931 -3.806 474 HE21 GLN 67 1HE2 GLN 67 -8.373 6.160 -4.783 475 HE22 GLN 67 2HE2 GLN 67 -9.337 4.791 -5.206 476 HA PRO 68 HA PRO 68 -10.719 8.925 2.285 477 HB2 PRO 68 1HB PRO 68 -9.502 11.350 2.187 478 HB3 PRO 68 2HB PRO 68 -8.617 9.841 2.439 479 HG2 PRO 68 1HG PRO 68 -8.982 11.426 -0.074 480 HG3 PRO 68 2HG PRO 68 -7.519 10.646 0.554 481 HD2 PRO 68 1HD PRO 68 -9.035 9.542 -1.400 482 HD3 PRO 68 2HD PRO 68 -8.149 8.565 -0.212 483 H ASP 69 H ASP 69 -12.978 9.082 1.777 484 HA ASP 69 HA ASP 69 -13.856 11.743 0.881 485 HB2 ASP 69 1HB ASP 69 -14.662 9.714 -0.383 486 HB3 ASP 69 2HB ASP 69 -15.535 9.239 1.072 487 HA PRO 70 HA PRO 70 -14.642 11.755 5.428 488 HB2 PRO 70 1HB PRO 70 -14.002 14.374 5.750 489 HB3 PRO 70 2HB PRO 70 -12.797 13.080 5.771 490 HG2 PRO 70 1HG PRO 70 -13.550 14.932 3.542 491 HG3 PRO 70 2HG PRO 70 -11.939 14.406 4.064 492 HD2 PRO 70 1HD PRO 70 -13.202 13.325 1.927 493 HD3 PRO 70 2HD PRO 70 -12.100 12.391 2.958 494 H SER 71 H SER 71 -16.746 11.847 5.882 495 HA SER 71 HA SER 71 -18.307 14.122 4.845 496 HB2 SER 71 1HB SER 71 -19.100 12.181 3.700 497 HB3 SER 71 2HB SER 71 -19.132 11.236 5.189 498 HG SER 71 HG SER 71 -20.669 13.570 5.048 499 H GLY 72 H GLY 72 -18.118 11.692 7.439 500 HA2 GLY 72 1HA GLY 72 -19.557 13.566 9.200 501 HA3 GLY 72 2HA GLY 72 -19.434 11.832 9.454 502 H LYS 73 H LYS 73 -17.593 14.847 9.473 503 HA LYS 73 HA LYS 73 -15.659 13.573 11.295 504 HB2 LYS 73 1HB LYS 73 -14.077 15.326 10.624 505 HB3 LYS 73 2HB LYS 73 -14.635 14.398 9.238 506 HG2 LYS 73 1HG LYS 73 -15.930 16.148 8.427 507 HG3 LYS 73 2HG LYS 73 -15.955 16.977 9.986 508 HD2 LYS 73 1HD LYS 73 -14.450 18.252 8.772 509 HD3 LYS 73 2HD LYS 73 -13.385 17.148 9.645 510 HE2 LYS 73 1HE LYS 73 -14.379 16.362 6.948 511 HE3 LYS 73 2HE LYS 73 -13.096 17.566 7.063 512 HZ1 LYS 73 3HZ LYS 73 -11.610 16.026 7.650 513 HZ2 LYS 73 1HZ LYS 73 -12.719 14.897 7.055 514 HZ3 LYS 73 2HZ LYS 73 -12.670 15.242 8.710 515 H GLU 74 H GLU 74 -18.034 14.344 12.402 516 HA GLU 74 HA GLU 74 -17.725 17.004 13.525 517 HB2 GLU 74 1HB GLU 74 -19.820 16.062 14.873 518 HB3 GLU 74 2HB GLU 74 -19.964 16.680 13.234 519 HG2 GLU 74 1HG GLU 74 -19.400 13.787 13.643 520 HG3 GLU 74 2HG GLU 74 -21.033 14.394 13.909 521 H SER 75 H SER 75 -16.072 17.082 14.950 522 HA SER 75 HA SER 75 -15.601 14.949 16.837 523 HB2 SER 75 1HB SER 75 -14.279 17.593 16.274 524 HB3 SER 75 2HB SER 75 -13.864 16.661 17.713 525 HG SER 75 HG SER 75 -12.489 15.860 16.275 526 H GLY 76 H GLY 76 -16.260 18.442 17.207 527 HA2 GLY 76 1HA GLY 76 -17.188 17.958 19.931 528 HA3 GLY 76 2HA GLY 76 -16.919 19.527 19.186 529 HA PRO 77 HA PRO 77 -21.502 18.253 19.237 530 HB2 PRO 77 1HB PRO 77 -22.340 19.904 21.223 531 HB3 PRO 77 2HB PRO 77 -21.792 18.250 21.517 532 HG2 PRO 77 1HG PRO 77 -20.300 20.824 21.842 533 HG3 PRO 77 2HG PRO 77 -20.339 19.411 22.912 534 HD2 PRO 77 1HD PRO 77 -18.296 19.885 21.200 535 HD3 PRO 77 2HD PRO 77 -18.815 18.245 21.636 536 H SER 78 H SER 78 -21.406 19.353 17.201 537 HA SER 78 HA SER 78 -21.627 21.118 15.744 538 HB2 SER 78 1HB SER 78 -23.775 21.747 17.783 539 HB3 SER 78 2HB SER 78 -23.706 22.405 16.149 540 HG SER 78 HG SER 78 -23.939 19.663 16.848 541 H SER 79 H SER 79 -19.541 21.617 17.524 542 HA SER 79 HA SER 79 -19.693 24.544 17.707 543 HB2 SER 79 1HB SER 79 -19.023 22.613 19.883 544 HB3 SER 79 2HB SER 79 -18.130 24.132 19.819 545 HG SER 79 HG SER 79 -20.925 23.755 20.075 546 H GLY 80 H GLY 80 -17.396 25.449 18.129 547 HA2 GLY 80 1HA GLY 80 -15.428 25.856 16.963 548 HA3 GLY 80 2HA GLY 80 -15.013 24.305 17.679 Start of MODEL 5 1 H1 GLY 1 H GLY 1 21.599 2.588 21.182 2 HA2 GLY 1 1HA GLY 1 18.967 2.206 21.937 3 HA3 GLY 1 2HA GLY 1 19.466 2.767 20.348 4 H SER 2 H SER 2 17.479 1.602 19.705 5 HA SER 2 HA SER 2 17.955 -1.293 19.439 6 HB2 SER 2 1HB SER 2 15.933 -1.020 20.636 7 HB3 SER 2 2HB SER 2 15.402 0.303 19.598 8 HG SER 2 HG SER 2 15.687 -2.415 18.827 9 H SER 3 H SER 3 18.931 -1.586 17.526 10 HA SER 3 HA SER 3 18.346 0.036 15.230 11 HB2 SER 3 1HB SER 3 19.939 -1.445 14.062 12 HB3 SER 3 2HB SER 3 20.603 -0.848 15.583 13 HG SER 3 HG SER 3 20.273 -3.367 14.808 14 H GLY 4 H GLY 4 16.653 -0.228 13.944 15 HA2 GLY 4 1HA GLY 4 15.401 -1.515 12.381 16 HA3 GLY 4 2HA GLY 4 15.750 -2.953 13.330 17 H SER 5 H SER 5 14.230 0.221 13.925 18 HA SER 5 HA SER 5 12.476 -0.690 15.909 19 HB2 SER 5 1HB SER 5 12.969 1.683 15.615 20 HB3 SER 5 2HB SER 5 12.186 1.671 14.035 21 HG SER 5 HG SER 5 11.085 1.847 16.527 22 H SER 6 H SER 6 11.202 -2.408 15.506 23 HA SER 6 HA SER 6 9.977 -2.981 13.032 24 HB2 SER 6 1HB SER 6 9.353 -3.942 15.831 25 HB3 SER 6 2HB SER 6 8.589 -4.591 14.380 26 HG SER 6 HG SER 6 10.637 -5.240 13.659 27 H GLY 7 H GLY 7 7.694 -2.997 12.527 28 HA2 GLY 7 1HA GLY 7 5.466 -2.184 13.473 29 HA3 GLY 7 2HA GLY 7 6.322 -0.668 13.709 30 H ALA 8 H ALA 8 6.412 -2.935 10.978 31 HA ALA 8 HA ALA 8 5.358 -0.773 9.273 32 HB1 ALA 8 3HB ALA 8 7.295 -0.791 8.186 33 HB2 ALA 8 1HB ALA 8 7.860 -2.190 9.099 34 HB3 ALA 8 2HB ALA 8 6.904 -2.419 7.634 35 H THR 9 H THR 9 4.316 -1.519 7.277 36 HA THR 9 HA THR 9 3.081 -4.177 7.602 37 HB THR 9 HB THR 9 1.793 -1.611 6.664 38 HG1 THR 9 1HG THR 9 0.830 -3.346 8.674 39 HG21 THR 9 3HG2 THR 9 -0.051 -3.785 6.880 40 HG22 THR 9 1HG2 THR 9 1.251 -4.242 5.782 41 HG23 THR 9 2HG2 THR 9 0.313 -2.780 5.479 42 H SER 10 H SER 10 3.601 -5.512 6.011 43 HA SER 10 HA SER 10 4.708 -4.509 3.537 44 HB2 SER 10 1HB SER 10 5.153 -6.852 3.017 45 HB3 SER 10 2HB SER 10 5.670 -6.496 4.665 46 HG SER 10 HG SER 10 3.076 -7.461 4.243 47 H TYR 11 H TYR 11 3.667 -4.264 1.668 48 HA TYR 11 HA TYR 11 0.910 -5.277 1.484 49 HB2 TYR 11 1HB TYR 11 2.214 -2.927 0.096 50 HB3 TYR 11 2HB TYR 11 0.565 -3.472 -0.193 51 HD1 TYR 11 2HD TYR 11 2.726 -2.578 2.730 52 HD2 TYR 11 1HD TYR 11 -1.096 -2.298 0.881 53 HE1 TYR 11 2HE TYR 11 1.940 -1.162 4.582 54 HE2 TYR 11 1HE TYR 11 -1.892 -0.880 2.727 55 HH TYR 11 HH TYR 11 -1.189 0.409 4.493 56 H MET 12 H MET 12 0.227 -5.486 -0.939 57 HA MET 12 HA MET 12 2.343 -6.979 -2.347 58 HB2 MET 12 1HB MET 12 -0.522 -7.640 -1.832 59 HB3 MET 12 2HB MET 12 0.208 -8.190 -3.334 60 HG2 MET 12 1HG MET 12 1.259 -8.784 -0.577 61 HG3 MET 12 2HG MET 12 0.286 -9.879 -1.556 62 HE1 MET 12 3HE MET 12 2.575 -10.667 -4.555 63 HE2 MET 12 1HE MET 12 0.920 -10.389 -4.012 64 HE3 MET 12 2HE MET 12 1.899 -9.038 -4.585 65 H THR 13 H THR 13 2.849 -6.237 -4.295 66 HA THR 13 HA THR 13 1.497 -4.011 -5.441 67 HB THR 13 HB THR 13 3.122 -4.059 -7.173 68 HG1 THR 13 1HG THR 13 4.175 -5.865 -7.788 69 HG21 THR 13 3HG2 THR 13 5.143 -3.974 -5.974 70 HG22 THR 13 1HG2 THR 13 4.625 -5.224 -4.844 71 HG23 THR 13 2HG2 THR 13 3.901 -3.617 -4.775 72 H CYS 14 H CYS 14 -0.058 -3.923 -6.945 73 HA CYS 14 HA CYS 14 -1.091 -6.460 -7.982 74 HB2 CYS 14 1HB CYS 14 -2.608 -4.873 -6.749 75 HB3 CYS 14 2HB CYS 14 -2.404 -3.740 -8.080 76 HG CYS 14 HG CYS 14 -4.775 -5.741 -7.831 77 H SER 15 H SER 15 0.765 -3.816 -8.938 78 HA SER 15 HA SER 15 0.723 -4.706 -11.694 79 HB2 SER 15 1HB SER 15 -1.077 -2.841 -11.282 80 HB3 SER 15 2HB SER 15 0.319 -1.763 -11.279 81 HG SER 15 HG SER 15 -0.941 -2.862 -13.366 82 H ALA 16 H ALA 16 2.431 -3.658 -12.988 83 HA ALA 16 HA ALA 16 4.824 -3.359 -11.401 84 HB1 ALA 16 3HB ALA 16 6.024 -3.521 -13.433 85 HB2 ALA 16 1HB ALA 16 4.678 -4.653 -13.563 86 HB3 ALA 16 2HB ALA 16 4.605 -3.096 -14.390 87 H TYR 17 H TYR 17 5.578 -1.490 -10.674 88 HA TYR 17 HA TYR 17 4.595 1.000 -11.866 89 HB2 TYR 17 1HB TYR 17 4.213 1.026 -9.547 90 HB3 TYR 17 2HB TYR 17 5.783 0.316 -9.189 91 HD1 TYR 17 2HD TYR 17 7.827 1.702 -9.323 92 HD2 TYR 17 1HD TYR 17 3.954 3.388 -9.830 93 HE1 TYR 17 2HE TYR 17 8.762 3.947 -8.950 94 HE2 TYR 17 1HE TYR 17 4.878 5.637 -9.459 95 HH TYR 17 HH TYR 17 6.723 6.749 -8.587 96 H GLN 18 H GLN 18 6.045 2.740 -12.305 97 HA GLN 18 HA GLN 18 8.799 1.851 -12.863 98 HB2 GLN 18 1HB GLN 18 7.123 2.393 -14.806 99 HB3 GLN 18 2HB GLN 18 7.495 4.064 -14.402 100 HG2 GLN 18 1HG GLN 18 9.942 3.404 -14.650 101 HG3 GLN 18 2HG GLN 18 9.342 1.933 -15.415 102 HE21 GLN 18 1HE2 GLN 18 10.325 5.062 -15.926 103 HE22 GLN 18 2HE2 GLN 18 9.678 5.298 -17.510 104 H LYS 19 H LYS 19 10.481 3.203 -12.355 105 HA LYS 19 HA LYS 19 9.848 5.346 -10.486 106 HB2 LYS 19 1HB LYS 19 12.241 5.303 -9.950 107 HB3 LYS 19 2HB LYS 19 11.529 3.699 -9.827 108 HG2 LYS 19 1HG LYS 19 13.430 3.175 -10.948 109 HG3 LYS 19 2HG LYS 19 12.380 3.524 -12.324 110 HD2 LYS 19 1HD LYS 19 14.349 4.700 -12.789 111 HD3 LYS 19 2HD LYS 19 13.257 5.926 -12.139 112 HE2 LYS 19 1HE LYS 19 15.175 6.383 -10.962 113 HE3 LYS 19 2HE LYS 19 14.367 5.269 -9.861 114 HZ1 LYS 19 3HZ LYS 19 16.538 4.595 -11.771 115 HZ2 LYS 19 1HZ LYS 19 15.713 3.467 -10.818 116 HZ3 LYS 19 2HZ LYS 19 16.663 4.658 -10.085 117 H VAL 20 H VAL 20 10.422 7.476 -10.747 118 HA VAL 20 HA VAL 20 11.164 8.254 -13.483 119 HB VAL 20 HB VAL 20 10.116 10.222 -11.497 120 HG11 VAL 20 1HG1 VAL 20 9.049 10.277 -14.186 121 HG12 VAL 20 2HG1 VAL 20 9.920 11.525 -13.292 122 HG13 VAL 20 3HG1 VAL 20 10.812 10.291 -14.184 123 HG21 VAL 20 3HG2 VAL 20 7.833 9.453 -12.732 124 HG22 VAL 20 1HG2 VAL 20 8.649 7.901 -12.548 125 HG23 VAL 20 2HG2 VAL 20 8.328 8.901 -11.131 126 H GLN 21 H GLN 21 12.041 8.590 -10.115 127 HA GLN 21 HA GLN 21 14.452 10.065 -10.945 128 HB2 GLN 21 1HB GLN 21 13.268 10.282 -8.191 129 HB3 GLN 21 2HB GLN 21 14.410 11.358 -8.984 130 HG2 GLN 21 1HG GLN 21 11.690 11.039 -10.145 131 HG3 GLN 21 2HG GLN 21 11.897 12.023 -8.697 132 HE21 GLN 21 1HE2 GLN 21 11.080 12.865 -11.332 133 HE22 GLN 21 2HE2 GLN 21 12.240 14.030 -11.863 134 H ASP 22 H ASP 22 16.357 9.691 -9.615 135 HA ASP 22 HA ASP 22 16.992 7.017 -9.306 136 HB2 ASP 22 1HB ASP 22 18.471 9.212 -9.307 137 HB3 ASP 22 2HB ASP 22 18.355 9.022 -7.560 138 H SER 23 H SER 23 15.333 9.137 -7.139 139 HA SER 23 HA SER 23 15.781 7.649 -4.749 140 HB2 SER 23 1HB SER 23 13.811 9.780 -5.549 141 HB3 SER 23 2HB SER 23 13.688 8.968 -3.989 142 HG SER 23 HG SER 23 14.951 10.931 -3.971 143 H GLU 24 H GLU 24 13.123 7.783 -7.098 144 HA GLU 24 HA GLU 24 11.553 5.813 -5.749 145 HB2 GLU 24 1HB GLU 24 11.382 6.823 -8.593 146 HB3 GLU 24 2HB GLU 24 10.165 5.844 -7.786 147 HG2 GLU 24 1HG GLU 24 9.431 7.572 -6.487 148 HG3 GLU 24 2HG GLU 24 10.983 8.407 -6.525 149 H ILE 25 H ILE 25 10.951 3.726 -6.697 150 HA ILE 25 HA ILE 25 13.024 2.528 -8.391 151 HB ILE 25 HB ILE 25 13.841 1.752 -6.375 152 HG12 ILE 25 1HG1 ILE 25 12.967 -0.086 -8.007 153 HG13 ILE 25 2HG1 ILE 25 13.509 -0.551 -6.398 154 HG21 ILE 25 1HG2 ILE 25 11.081 2.128 -5.472 155 HG22 ILE 25 2HG2 ILE 25 11.903 0.747 -4.746 156 HG23 ILE 25 3HG2 ILE 25 12.602 2.360 -4.608 157 HD11 ILE 25 3HD1 ILE 25 10.673 0.108 -6.531 158 HD12 ILE 25 1HD1 ILE 25 11.140 -1.259 -7.542 159 HD13 ILE 25 2HD1 ILE 25 11.488 -1.281 -5.812 160 H SER 26 H SER 26 12.322 0.926 -9.751 161 HA SER 26 HA SER 26 9.420 0.625 -9.948 162 HB2 SER 26 1HB SER 26 9.899 -0.276 -12.212 163 HB3 SER 26 2HB SER 26 10.559 1.342 -11.978 164 HG SER 26 HG SER 26 12.072 -0.063 -12.960 165 H PHE 27 H PHE 27 8.376 -1.262 -9.659 166 HA PHE 27 HA PHE 27 9.991 -3.686 -9.240 167 HB2 PHE 27 1HB PHE 27 8.182 -4.283 -7.494 168 HB3 PHE 27 2HB PHE 27 9.423 -3.120 -7.040 169 HD1 PHE 27 1HD PHE 27 5.913 -3.471 -8.129 170 HD2 PHE 27 2HD PHE 27 8.868 -0.907 -6.450 171 HE1 PHE 27 1HE PHE 27 4.164 -1.841 -7.548 172 HE2 PHE 27 2HE PHE 27 7.123 0.726 -5.866 173 HZ PHE 27 HZ PHE 27 4.768 0.261 -6.414 174 HA PRO 28 HA PRO 28 7.253 -5.659 -12.051 175 HB2 PRO 28 1HB PRO 28 7.418 -8.222 -11.169 176 HB3 PRO 28 2HB PRO 28 8.730 -7.420 -12.042 177 HG2 PRO 28 1HG PRO 28 8.399 -7.852 -9.098 178 HG3 PRO 28 2HG PRO 28 9.851 -8.035 -10.099 179 HD2 PRO 28 1HD PRO 28 9.404 -5.847 -8.567 180 HD3 PRO 28 2HD PRO 28 10.283 -5.771 -10.108 181 H ALA 29 H ALA 29 5.333 -7.162 -12.106 182 HA ALA 29 HA ALA 29 3.505 -6.415 -9.959 183 HB1 ALA 29 3HB ALA 29 2.928 -6.063 -12.376 184 HB2 ALA 29 1HB ALA 29 2.827 -7.817 -12.535 185 HB3 ALA 29 2HB ALA 29 1.732 -6.966 -11.445 186 H GLY 30 H GLY 30 3.508 -7.764 -8.268 187 HA2 GLY 30 1HA GLY 30 2.436 -9.943 -7.645 188 HA3 GLY 30 2HA GLY 30 3.515 -10.666 -8.829 189 H VAL 31 H VAL 31 4.561 -8.072 -6.747 190 HA VAL 31 HA VAL 31 6.138 -10.007 -5.179 191 HB VAL 31 HB VAL 31 7.923 -8.248 -5.053 192 HG11 VAL 31 1HG1 VAL 31 8.872 -8.764 -7.233 193 HG12 VAL 31 2HG1 VAL 31 8.094 -10.190 -6.543 194 HG13 VAL 31 3HG1 VAL 31 7.288 -9.275 -7.818 195 HG21 VAL 31 3HG2 VAL 31 6.066 -6.922 -6.983 196 HG22 VAL 31 1HG2 VAL 31 6.949 -6.232 -5.621 197 HG23 VAL 31 2HG2 VAL 31 7.804 -6.650 -7.106 198 H GLU 32 H GLU 32 6.880 -9.159 -3.075 199 HA GLU 32 HA GLU 32 4.816 -7.430 -1.893 200 HB2 GLU 32 1HB GLU 32 4.976 -9.724 -0.986 201 HB3 GLU 32 2HB GLU 32 6.648 -9.416 -0.536 202 HG2 GLU 32 1HG GLU 32 5.621 -7.416 0.787 203 HG3 GLU 32 2HG GLU 32 4.137 -8.360 0.667 204 H VAL 33 H VAL 33 5.348 -5.637 -0.730 205 HA VAL 33 HA VAL 33 8.211 -4.984 -0.493 206 HB VAL 33 HB VAL 33 7.537 -2.575 -0.885 207 HG11 VAL 33 1HG1 VAL 33 8.715 -3.342 -2.669 208 HG12 VAL 33 2HG1 VAL 33 7.650 -4.727 -2.918 209 HG13 VAL 33 3HG1 VAL 33 7.155 -3.124 -3.463 210 HG21 VAL 33 3HG2 VAL 33 5.193 -2.622 -0.598 211 HG22 VAL 33 1HG2 VAL 33 5.459 -2.340 -2.318 212 HG23 VAL 33 2HG2 VAL 33 5.001 -3.945 -1.748 213 H GLN 34 H GLN 34 8.639 -3.244 1.111 214 HA GLN 34 HA GLN 34 6.780 -3.477 3.383 215 HB2 GLN 34 1HB GLN 34 9.749 -3.475 3.193 216 HB3 GLN 34 2HB GLN 34 9.026 -2.714 4.604 217 HG2 GLN 34 1HG GLN 34 8.195 -4.685 5.417 218 HG3 GLN 34 2HG GLN 34 8.117 -5.435 3.823 219 HE21 GLN 34 1HE2 GLN 34 10.191 -4.582 6.494 220 HE22 GLN 34 2HE2 GLN 34 11.491 -5.641 6.080 221 H VAL 35 H VAL 35 5.830 -1.687 4.097 222 HA VAL 35 HA VAL 35 6.549 0.866 2.914 223 HB VAL 35 HB VAL 35 4.274 0.068 4.730 224 HG11 VAL 35 1HG1 VAL 35 3.436 2.408 3.886 225 HG12 VAL 35 2HG1 VAL 35 4.485 2.282 5.300 226 HG13 VAL 35 3HG1 VAL 35 5.163 2.733 3.735 227 HG21 VAL 35 3HG2 VAL 35 3.004 0.760 2.578 228 HG22 VAL 35 1HG2 VAL 35 4.562 0.523 1.787 229 HG23 VAL 35 2HG2 VAL 35 3.794 -0.815 2.640 230 H LEU 36 H LEU 36 8.411 1.575 3.876 231 HA LEU 36 HA LEU 36 8.985 1.408 6.629 232 HB2 LEU 36 1HB LEU 36 10.063 3.543 4.819 233 HB3 LEU 36 2HB LEU 36 10.846 2.769 6.195 234 HG LEU 36 HG LEU 36 10.288 1.479 3.524 235 HD11 LEU 36 1HD1 LEU 36 12.837 2.492 4.773 236 HD12 LEU 36 2HD1 LEU 36 12.039 3.117 3.330 237 HD13 LEU 36 3HD1 LEU 36 12.753 1.505 3.313 238 HD21 LEU 36 3HD2 LEU 36 12.171 0.219 5.374 239 HD22 LEU 36 1HD2 LEU 36 10.903 -0.496 4.379 240 HD23 LEU 36 2HD2 LEU 36 10.500 0.222 5.939 241 H GLU 37 H GLU 37 7.745 4.096 4.656 242 HA GLU 37 HA GLU 37 6.444 5.179 7.033 243 HB2 GLU 37 1HB GLU 37 8.809 6.229 6.488 244 HB3 GLU 37 2HB GLU 37 7.889 7.121 5.285 245 HG2 GLU 37 1HG GLU 37 6.555 8.158 6.920 246 HG3 GLU 37 2HG GLU 37 7.091 7.042 8.175 247 H LYS 38 H LYS 38 4.921 6.969 6.458 248 HA LYS 38 HA LYS 38 3.933 6.754 3.698 249 HB2 LYS 38 1HB LYS 38 2.281 6.533 6.219 250 HB3 LYS 38 2HB LYS 38 1.602 6.746 4.611 251 HG2 LYS 38 1HG LYS 38 2.502 4.626 3.901 252 HG3 LYS 38 2HG LYS 38 3.327 4.424 5.448 253 HD2 LYS 38 1HD LYS 38 1.080 4.501 6.555 254 HD3 LYS 38 2HD LYS 38 0.354 4.467 4.946 255 HE2 LYS 38 1HE LYS 38 1.142 2.306 4.513 256 HE3 LYS 38 2HE LYS 38 2.330 2.382 5.814 257 HZ1 LYS 38 3HZ LYS 38 -0.290 1.396 5.912 258 HZ2 LYS 38 1HZ LYS 38 -0.205 2.743 6.933 259 HZ3 LYS 38 2HZ LYS 38 0.858 1.447 7.153 260 H GLN 39 H GLN 39 2.773 8.565 2.931 261 HA GLN 39 HA GLN 39 3.072 10.987 4.582 262 HB2 GLN 39 1HB GLN 39 3.552 10.580 1.638 263 HB3 GLN 39 2HB GLN 39 3.271 12.177 2.319 264 HG2 GLN 39 1HG GLN 39 5.198 11.531 3.939 265 HG3 GLN 39 2HG GLN 39 5.587 10.339 2.699 266 HE21 GLN 39 1HE2 GLN 39 7.138 12.619 3.567 267 HE22 GLN 39 2HE2 GLN 39 7.372 13.615 2.174 268 H GLU 40 H GLU 40 1.236 11.995 5.035 269 HA GLU 40 HA GLU 40 -1.279 11.216 4.559 270 HB2 GLU 40 1HB GLU 40 -0.301 13.343 5.791 271 HB3 GLU 40 2HB GLU 40 -0.800 14.153 4.313 272 HG2 GLU 40 1HG GLU 40 -3.061 12.915 4.758 273 HG3 GLU 40 2HG GLU 40 -2.456 12.849 6.412 274 H SER 41 H SER 41 0.622 13.237 2.358 275 HA SER 41 HA SER 41 -1.203 13.947 0.471 276 HB2 SER 41 1HB SER 41 1.661 13.062 0.188 277 HB3 SER 41 2HB SER 41 0.721 13.564 -1.217 278 HG SER 41 HG SER 41 0.734 15.219 1.037 279 H GLY 42 H GLY 42 0.573 10.853 0.516 280 HA2 GLY 42 1HA GLY 42 -1.287 9.033 0.028 281 HA3 GLY 42 2HA GLY 42 -1.204 9.803 -1.549 282 H TRP 43 H TRP 43 1.689 10.313 -1.283 283 HA TRP 43 HA TRP 43 2.589 7.818 -2.367 284 HB2 TRP 43 1HB TRP 43 3.973 10.439 -1.798 285 HB3 TRP 43 2HB TRP 43 4.822 9.042 -2.456 286 HD1 TRP 43 HD TRP 43 1.983 11.490 -3.382 287 HE1 TRP 43 1HE TRP 43 1.798 11.569 -5.948 288 HE3 TRP 43 3HE TRP 43 5.366 7.840 -4.553 289 HZ2 TRP 43 2HZ TRP 43 2.935 10.258 -8.174 290 HZ3 TRP 43 3HZ TRP 43 5.759 7.313 -6.925 291 HH2 TRP 43 HH TRP 43 4.567 8.497 -8.696 292 H TRP 44 H TRP 44 3.465 6.169 -1.310 293 HA TRP 44 HA TRP 44 4.420 6.624 1.438 294 HB2 TRP 44 1HB TRP 44 3.404 4.075 0.160 295 HB3 TRP 44 2HB TRP 44 3.961 4.232 1.824 296 HD1 TRP 44 HD TRP 44 2.231 7.287 1.565 297 HE1 TRP 44 1HE TRP 44 -0.242 7.117 2.259 298 HE3 TRP 44 3HE TRP 44 1.665 2.212 1.319 299 HZ2 TRP 44 2HZ TRP 44 -2.176 5.099 2.650 300 HZ3 TRP 44 3HZ TRP 44 -0.528 1.241 1.869 301 HH2 TRP 44 HH TRP 44 -2.407 2.657 2.522 302 H TYR 45 H TYR 45 6.331 5.592 2.141 303 HA TYR 45 HA TYR 45 8.265 5.192 -0.003 304 HB2 TYR 45 1HB TYR 45 8.597 6.664 2.118 305 HB3 TYR 45 2HB TYR 45 8.935 5.135 2.923 306 HD1 TYR 45 1HD TYR 45 9.854 6.348 -0.485 307 HD2 TYR 45 2HD TYR 45 11.215 5.088 3.344 308 HE1 TYR 45 1HE TYR 45 12.178 6.448 -1.285 309 HE2 TYR 45 2HE TYR 45 13.543 5.185 2.555 310 HH TYR 45 HH TYR 45 14.310 6.021 -0.807 311 H VAL 46 H VAL 46 8.281 3.181 -0.794 312 HA VAL 46 HA VAL 46 8.072 0.917 1.066 313 HB VAL 46 HB VAL 46 7.923 -0.378 -1.194 314 HG11 VAL 46 1HG1 VAL 46 5.453 0.120 -1.279 315 HG12 VAL 46 2HG1 VAL 46 6.083 -0.343 0.303 316 HG13 VAL 46 3HG1 VAL 46 5.741 1.351 -0.050 317 HG21 VAL 46 3HG2 VAL 46 8.526 1.787 -2.441 318 HG22 VAL 46 1HG2 VAL 46 7.217 0.795 -3.085 319 HG23 VAL 46 2HG2 VAL 46 6.847 2.251 -2.161 320 H ARG 47 H ARG 47 9.468 -0.961 0.659 321 HA ARG 47 HA ARG 47 12.084 -0.205 -0.462 322 HB2 ARG 47 1HB ARG 47 12.223 -0.129 1.970 323 HB3 ARG 47 2HB ARG 47 11.562 -1.754 2.080 324 HG2 ARG 47 1HG ARG 47 14.042 -1.346 0.496 325 HG3 ARG 47 2HG ARG 47 14.145 -1.304 2.258 326 HD2 ARG 47 1HD ARG 47 12.720 -3.511 2.053 327 HD3 ARG 47 2HD ARG 47 13.437 -3.557 0.443 328 HE ARG 47 HE ARG 47 15.564 -3.145 2.073 329 HH11 ARG 47 1HH1 ARG 47 12.997 -5.496 2.004 330 HH12 ARG 47 2HH1 ARG 47 13.956 -6.756 2.707 331 HH21 ARG 47 1HH2 ARG 47 16.837 -4.796 2.998 332 HH22 ARG 47 2HH2 ARG 47 16.140 -6.356 3.273 333 H PHE 48 H PHE 48 12.724 -1.520 -2.028 334 HA PHE 48 HA PHE 48 11.639 -4.259 -2.091 335 HB2 PHE 48 1HB PHE 48 10.902 -2.678 -3.933 336 HB3 PHE 48 2HB PHE 48 12.573 -2.678 -4.488 337 HD1 PHE 48 2HD PHE 48 10.293 -5.375 -3.284 338 HD2 PHE 48 1HD PHE 48 12.750 -3.889 -6.426 339 HE1 PHE 48 2HE PHE 48 9.856 -7.415 -4.587 340 HE2 PHE 48 1HE PHE 48 12.316 -5.927 -7.734 341 HZ PHE 48 HZ PHE 48 10.868 -7.694 -6.814 342 H GLY 49 H GLY 49 13.231 -5.458 -1.193 343 HA2 GLY 49 1HA GLY 49 15.202 -6.652 -1.165 344 HA3 GLY 49 2HA GLY 49 15.610 -5.911 -2.705 345 H GLU 50 H GLU 50 16.997 -4.202 -2.764 346 HA GLU 50 HA GLU 50 18.019 -3.250 -0.169 347 HB2 GLU 50 1HB GLU 50 19.519 -3.950 -2.687 348 HB3 GLU 50 2HB GLU 50 20.221 -2.946 -1.427 349 HG2 GLU 50 1HG GLU 50 19.737 -4.837 0.173 350 HG3 GLU 50 2HG GLU 50 19.374 -5.819 -1.245 351 H LEU 51 H LEU 51 15.947 -2.123 -1.945 352 HA LEU 51 HA LEU 51 17.140 0.536 -2.241 353 HB2 LEU 51 1HB LEU 51 15.359 -0.729 -4.316 354 HB3 LEU 51 2HB LEU 51 16.053 0.890 -4.374 355 HG LEU 51 HG LEU 51 17.707 -1.629 -4.400 356 HD11 LEU 51 1HD1 LEU 51 16.084 -1.334 -6.354 357 HD12 LEU 51 2HD1 LEU 51 17.790 -1.561 -6.732 358 HD13 LEU 51 3HD1 LEU 51 17.079 0.051 -6.804 359 HD21 LEU 51 3HD2 LEU 51 18.393 1.189 -5.220 360 HD22 LEU 51 1HD2 LEU 51 19.484 -0.193 -5.122 361 HD23 LEU 51 2HD2 LEU 51 18.787 0.485 -3.651 362 H GLU 52 H GLU 52 15.599 2.274 -2.192 363 HA GLU 52 HA GLU 52 12.935 1.535 -1.199 364 HB2 GLU 52 1HB GLU 52 14.720 3.635 0.043 365 HB3 GLU 52 2HB GLU 52 13.077 3.255 0.538 366 HG2 GLU 52 1HG GLU 52 13.682 1.296 1.551 367 HG3 GLU 52 2HG GLU 52 15.103 1.079 0.530 368 H GLY 53 H GLY 53 11.437 2.452 -2.425 369 HA2 GLY 53 1HA GLY 53 11.974 5.144 -3.513 370 HA3 GLY 53 2HA GLY 53 11.298 3.875 -4.523 371 H TRP 54 H TRP 54 10.017 6.304 -4.203 372 HA TRP 54 HA TRP 54 7.872 5.847 -2.272 373 HB2 TRP 54 1HB TRP 54 8.607 8.211 -3.999 374 HB3 TRP 54 2HB TRP 54 7.118 8.144 -3.061 375 HD1 TRP 54 HD TRP 54 10.844 8.722 -2.715 376 HE1 TRP 54 1HE TRP 54 11.368 9.446 -0.301 377 HE3 TRP 54 3HE TRP 54 6.286 7.811 -0.587 378 HZ2 TRP 54 2HZ TRP 54 10.027 9.608 2.177 379 HZ3 TRP 54 3HZ TRP 54 5.990 8.277 1.811 380 HH2 TRP 54 HH TRP 54 7.823 9.157 3.163 381 H ALA 55 H ALA 55 6.335 4.506 -2.972 382 HA ALA 55 HA ALA 55 5.400 4.776 -5.752 383 HB1 ALA 55 3HB ALA 55 4.807 2.390 -4.047 384 HB2 ALA 55 1HB ALA 55 4.879 2.520 -5.805 385 HB3 ALA 55 2HB ALA 55 6.366 2.549 -4.856 386 HA PRO 56 HA PRO 56 1.537 6.293 -4.284 387 HB2 PRO 56 1HB PRO 56 -0.035 5.590 -6.382 388 HB3 PRO 56 2HB PRO 56 1.127 6.920 -6.456 389 HG2 PRO 56 1HG PRO 56 1.397 4.111 -7.455 390 HG3 PRO 56 2HG PRO 56 1.876 5.628 -8.239 391 HD2 PRO 56 1HD PRO 56 3.647 4.023 -6.966 392 HD3 PRO 56 2HD PRO 56 3.825 5.789 -7.019 393 H SER 57 H SER 57 0.032 5.518 -2.938 394 HA SER 57 HA SER 57 -0.178 2.801 -2.307 395 HB2 SER 57 1HB SER 57 -1.874 3.420 -0.773 396 HB3 SER 57 2HB SER 57 -0.810 4.824 -0.868 397 HG SER 57 HG SER 57 -2.561 5.869 -1.356 398 H HIS 58 H HIS 58 -1.456 4.481 -4.922 399 HA HIS 58 HA HIS 58 -3.926 3.138 -5.271 400 HB2 HIS 58 1HB HIS 58 -2.219 4.264 -7.488 401 HB3 HIS 58 2HB HIS 58 -3.972 4.094 -7.451 402 HD1 HIS 58 1HD HIS 58 -1.534 6.611 -7.226 403 HD2 HIS 58 2HD HIS 58 -4.997 5.779 -5.086 404 HE1 HIS 58 1HE HIS 58 -2.173 8.774 -6.114 405 HE2 HIS 58 2HE HIS 58 -4.223 8.225 -4.757 406 H TYR 59 H TYR 59 -0.623 2.369 -6.112 407 HA TYR 59 HA TYR 59 -1.396 0.124 -7.775 408 HB2 TYR 59 1HB TYR 59 1.270 1.224 -6.891 409 HB3 TYR 59 2HB TYR 59 1.123 -0.271 -7.808 410 HD1 TYR 59 1HD TYR 59 -0.308 3.185 -8.016 411 HD2 TYR 59 2HD TYR 59 1.566 -0.048 -10.052 412 HE1 TYR 59 1HE TYR 59 -0.357 4.480 -10.107 413 HE2 TYR 59 2HE TYR 59 1.523 1.239 -12.147 414 HH TYR 59 HH TYR 59 0.873 4.550 -12.259 415 H LEU 60 H LEU 60 -0.505 0.740 -4.489 416 HA LEU 60 HA LEU 60 0.133 -2.009 -3.882 417 HB2 LEU 60 1HB LEU 60 -0.350 0.345 -2.061 418 HB3 LEU 60 2HB LEU 60 0.273 -1.226 -1.561 419 HG LEU 60 HG LEU 60 1.700 0.556 -3.524 420 HD11 LEU 60 1HD1 LEU 60 2.621 1.764 -1.887 421 HD12 LEU 60 2HD1 LEU 60 2.800 0.365 -0.828 422 HD13 LEU 60 3HD1 LEU 60 1.259 1.219 -0.906 423 HD21 LEU 60 3HD2 LEU 60 2.899 -1.555 -1.771 424 HD22 LEU 60 1HD2 LEU 60 3.510 -0.875 -3.280 425 HD23 LEU 60 2HD2 LEU 60 2.137 -1.981 -3.304 426 H VAL 61 H VAL 61 -1.120 -3.469 -2.760 427 HA VAL 61 HA VAL 61 -3.993 -2.909 -2.776 428 HB VAL 61 HB VAL 61 -4.304 -5.321 -2.540 429 HG11 VAL 61 1HG1 VAL 61 -2.872 -4.062 -4.741 430 HG12 VAL 61 2HG1 VAL 61 -2.645 -5.811 -4.680 431 HG13 VAL 61 3HG1 VAL 61 -4.272 -5.134 -4.766 432 HG21 VAL 61 3HG2 VAL 61 -1.405 -5.230 -1.980 433 HG22 VAL 61 1HG2 VAL 61 -2.653 -6.306 -1.349 434 HG23 VAL 61 2HG2 VAL 61 -1.972 -6.589 -2.951 435 H LEU 62 H LEU 62 -5.087 -2.533 -0.966 436 HA LEU 62 HA LEU 62 -3.749 -3.005 1.601 437 HB2 LEU 62 1HB LEU 62 -6.156 -1.305 0.966 438 HB3 LEU 62 2HB LEU 62 -5.352 -1.420 2.530 439 HG LEU 62 HG LEU 62 -3.274 -0.588 1.106 440 HD11 LEU 62 1HD1 LEU 62 -5.160 1.144 -0.280 441 HD12 LEU 62 2HD1 LEU 62 -5.215 -0.529 -0.836 442 HD13 LEU 62 3HD1 LEU 62 -3.693 0.360 -0.868 443 HD21 LEU 62 3HD2 LEU 62 -4.351 1.816 1.573 444 HD22 LEU 62 1HD2 LEU 62 -3.719 0.781 2.853 445 HD23 LEU 62 2HD2 LEU 62 -5.452 0.820 2.527 446 H ASP 63 H ASP 63 -4.216 -5.004 2.306 447 HA ASP 63 HA ASP 63 -5.439 -6.940 2.652 448 HB2 ASP 63 1HB ASP 63 -7.485 -5.210 3.965 449 HB3 ASP 63 2HB ASP 63 -6.704 -6.673 4.559 450 H GLU 64 H GLU 64 -6.082 -5.748 0.108 451 HA GLU 64 HA GLU 64 -8.916 -5.735 -0.247 452 HB2 GLU 64 1HB GLU 64 -7.376 -4.494 -1.729 453 HB3 GLU 64 2HB GLU 64 -6.722 -6.019 -2.308 454 HG2 GLU 64 1HG GLU 64 -9.604 -5.210 -2.589 455 HG3 GLU 64 2HG GLU 64 -8.376 -4.957 -3.827 456 H ASN 65 H ASN 65 -6.353 -8.044 -1.130 457 HA ASN 65 HA ASN 65 -8.433 -10.119 -1.362 458 HB2 ASN 65 1HB ASN 65 -6.746 -11.312 -2.827 459 HB3 ASN 65 2HB ASN 65 -7.430 -9.837 -3.506 460 HD21 ASN 65 1HD2 ASN 65 -5.804 -9.243 -4.821 461 HD22 ASN 65 2HD2 ASN 65 -4.212 -8.840 -4.283 462 H GLU 66 H GLU 66 -8.121 -12.084 -0.358 463 HA GLU 66 HA GLU 66 -6.445 -12.072 1.951 464 HB2 GLU 66 1HB GLU 66 -8.743 -13.246 1.552 465 HB3 GLU 66 2HB GLU 66 -7.763 -14.548 0.893 466 HG2 GLU 66 1HG GLU 66 -8.210 -15.050 3.170 467 HG3 GLU 66 2HG GLU 66 -6.510 -14.603 3.041 468 H GLN 67 H GLN 67 -4.420 -12.758 2.158 469 HA GLN 67 HA GLN 67 -2.660 -13.318 0.209 470 HB2 GLN 67 1HB GLN 67 -2.804 -14.200 3.053 471 HB3 GLN 67 2HB GLN 67 -1.556 -14.899 2.031 472 HG2 GLN 67 1HG GLN 67 -0.542 -13.071 3.071 473 HG3 GLN 67 2HG GLN 67 -0.914 -12.520 1.438 474 HE21 GLN 67 1HE2 GLN 67 -2.467 -10.955 1.129 475 HE22 GLN 67 2HE2 GLN 67 -3.129 -10.024 2.425 476 HA PRO 68 HA PRO 68 -3.701 -17.160 -1.667 477 HB2 PRO 68 1HB PRO 68 -1.273 -17.817 -2.688 478 HB3 PRO 68 2HB PRO 68 -2.288 -16.540 -3.369 479 HG2 PRO 68 1HG PRO 68 0.055 -16.313 -1.519 480 HG3 PRO 68 2HG PRO 68 -0.349 -15.330 -2.939 481 HD2 PRO 68 1HD PRO 68 -0.843 -14.505 -0.408 482 HD3 PRO 68 2HD PRO 68 -1.878 -14.055 -1.778 483 H ASP 69 H ASP 69 -2.824 -19.469 -1.803 484 HA ASP 69 HA ASP 69 -1.831 -20.248 0.858 485 HB2 ASP 69 1HB ASP 69 -3.501 -21.861 -1.084 486 HB3 ASP 69 2HB ASP 69 -2.989 -22.381 0.520 487 HA PRO 70 HA PRO 70 1.569 -21.359 -2.049 488 HB2 PRO 70 1HB PRO 70 3.553 -20.751 -0.299 489 HB3 PRO 70 2HB PRO 70 2.791 -19.546 -1.344 490 HG2 PRO 70 1HG PRO 70 2.270 -20.151 1.541 491 HG3 PRO 70 2HG PRO 70 2.409 -18.577 0.735 492 HD2 PRO 70 1HD PRO 70 0.020 -19.688 1.357 493 HD3 PRO 70 2HD PRO 70 0.251 -18.656 -0.068 494 H SER 71 H SER 71 3.373 -22.919 -1.704 495 HA SER 71 HA SER 71 3.446 -24.574 0.602 496 HB2 SER 71 1HB SER 71 1.692 -25.378 -1.665 497 HB3 SER 71 2HB SER 71 2.679 -26.636 -0.921 498 HG SER 71 HG SER 71 1.700 -26.230 1.032 499 H GLY 72 H GLY 72 4.760 -26.625 0.136 500 HA2 GLY 72 1HA GLY 72 6.433 -27.728 -1.126 501 HA3 GLY 72 2HA GLY 72 6.550 -26.314 -2.162 502 H LYS 73 H LYS 73 6.950 -27.039 1.309 503 HA LYS 73 HA LYS 73 9.405 -25.413 1.255 504 HB2 LYS 73 1HB LYS 73 7.272 -25.809 3.293 505 HB3 LYS 73 2HB LYS 73 8.915 -25.581 3.876 506 HG2 LYS 73 1HG LYS 73 7.783 -23.682 1.872 507 HG3 LYS 73 2HG LYS 73 7.340 -23.537 3.575 508 HD2 LYS 73 1HD LYS 73 10.212 -23.735 2.731 509 HD3 LYS 73 2HD LYS 73 9.360 -22.190 2.708 510 HE2 LYS 73 1HE LYS 73 9.682 -23.995 5.104 511 HE3 LYS 73 2HE LYS 73 10.592 -22.516 4.800 512 HZ1 LYS 73 3HZ LYS 73 8.076 -22.804 6.017 513 HZ2 LYS 73 1HZ LYS 73 7.885 -21.890 4.606 514 HZ3 LYS 73 2HZ LYS 73 8.983 -21.394 5.793 515 H GLU 74 H GLU 74 11.308 -26.291 1.858 516 HA GLU 74 HA GLU 74 11.278 -29.001 3.002 517 HB2 GLU 74 1HB GLU 74 13.117 -29.659 1.558 518 HB3 GLU 74 2HB GLU 74 11.750 -29.132 0.586 519 HG2 GLU 74 1HG GLU 74 12.802 -27.038 0.120 520 HG3 GLU 74 2HG GLU 74 14.105 -27.386 1.254 521 H SER 75 H SER 75 12.858 -29.460 4.491 522 HA SER 75 HA SER 75 14.334 -27.145 5.500 523 HB2 SER 75 1HB SER 75 14.614 -28.454 7.553 524 HB3 SER 75 2HB SER 75 12.914 -28.394 7.087 525 HG SER 75 HG SER 75 14.704 -30.540 7.046 526 H GLY 76 H GLY 76 14.958 -30.634 5.043 527 HA2 GLY 76 1HA GLY 76 16.805 -31.643 4.051 528 HA3 GLY 76 2HA GLY 76 17.511 -30.052 3.808 529 HA PRO 77 HA PRO 77 18.538 -31.576 8.317 530 HB2 PRO 77 1HB PRO 77 18.479 -34.273 8.616 531 HB3 PRO 77 2HB PRO 77 17.087 -33.238 8.956 532 HG2 PRO 77 1HG PRO 77 17.681 -34.874 6.520 533 HG3 PRO 77 2HG PRO 77 16.148 -34.679 7.390 534 HD2 PRO 77 1HD PRO 77 16.706 -33.340 5.103 535 HD3 PRO 77 2HD PRO 77 15.693 -32.653 6.389 536 H SER 78 H SER 78 20.527 -32.544 9.127 537 HA SER 78 HA SER 78 22.372 -33.240 6.939 538 HB2 SER 78 1HB SER 78 22.641 -31.076 8.430 539 HB3 SER 78 2HB SER 78 23.357 -32.214 9.571 540 HG SER 78 HG SER 78 25.016 -32.515 8.262 541 H SER 79 H SER 79 24.457 -34.321 8.062 542 HA SER 79 HA SER 79 23.526 -36.875 8.961 543 HB2 SER 79 1HB SER 79 26.271 -35.712 8.501 544 HB3 SER 79 2HB SER 79 26.039 -37.338 9.143 545 HG SER 79 HG SER 79 25.618 -37.985 7.198 546 H GLY 80 H GLY 80 23.602 -37.774 10.964 547 HA2 GLY 80 1HA GLY 80 23.925 -35.949 13.194 548 HA3 GLY 80 2HA GLY 80 23.334 -37.602 13.273 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -4.827 -0.736 18.177 2 HA2 GLY 1 1HA GLY 1 -5.453 -1.436 15.412 3 HA3 GLY 1 2HA GLY 1 -5.653 0.251 15.863 4 H SER 2 H SER 2 -4.030 0.541 14.133 5 HA SER 2 HA SER 2 -1.370 -0.389 14.463 6 HB2 SER 2 1HB SER 2 -2.128 0.276 12.269 7 HB3 SER 2 2HB SER 2 -2.499 1.903 12.841 8 HG SER 2 HG SER 2 0.100 0.769 12.882 9 H SER 3 H SER 3 0.201 0.322 15.742 10 HA SER 3 HA SER 3 0.031 3.055 16.816 11 HB2 SER 3 1HB SER 3 0.691 0.554 18.390 12 HB3 SER 3 2HB SER 3 0.836 2.200 19.006 13 HG SER 3 HG SER 3 -1.502 0.791 18.274 14 H GLY 4 H GLY 4 2.168 0.200 16.640 15 HA2 GLY 4 1HA GLY 4 4.186 1.121 15.115 16 HA3 GLY 4 2HA GLY 4 4.521 1.891 16.659 17 H SER 5 H SER 5 3.967 0.004 18.492 18 HA SER 5 HA SER 5 6.161 -1.492 18.812 19 HB2 SER 5 1HB SER 5 4.250 -1.356 20.423 20 HB3 SER 5 2HB SER 5 3.401 -2.559 19.452 21 HG SER 5 HG SER 5 4.441 -3.944 20.634 22 H SER 6 H SER 6 3.248 -2.719 17.163 23 HA SER 6 HA SER 6 4.085 -5.220 16.455 24 HB2 SER 6 1HB SER 6 2.480 -3.288 14.765 25 HB3 SER 6 2HB SER 6 2.593 -5.024 14.475 26 HG SER 6 HG SER 6 0.819 -3.915 15.921 27 H GLY 7 H GLY 7 4.655 -2.231 14.603 28 HA2 GLY 7 1HA GLY 7 7.028 -2.071 13.767 29 HA3 GLY 7 2HA GLY 7 6.757 -3.681 13.116 30 H ALA 8 H ALA 8 7.014 -3.213 10.975 31 HA ALA 8 HA ALA 8 5.434 -1.058 9.797 32 HB1 ALA 8 3HB ALA 8 7.752 -1.190 9.120 33 HB2 ALA 8 1HB ALA 8 7.531 -2.857 8.588 34 HB3 ALA 8 2HB ALA 8 6.708 -1.545 7.744 35 H THR 9 H THR 9 4.575 -1.688 7.491 36 HA THR 9 HA THR 9 3.152 -4.259 7.693 37 HB THR 9 HB THR 9 1.969 -1.655 6.710 38 HG1 THR 9 1HG THR 9 2.285 -2.282 9.133 39 HG21 THR 9 3HG2 THR 9 -0.032 -3.552 7.198 40 HG22 THR 9 1HG2 THR 9 1.221 -4.409 6.301 41 HG23 THR 9 2HG2 THR 9 0.503 -2.944 5.631 42 H SER 10 H SER 10 3.504 -5.534 6.006 43 HA SER 10 HA SER 10 4.703 -4.427 3.595 44 HB2 SER 10 1HB SER 10 5.172 -6.739 2.988 45 HB3 SER 10 2HB SER 10 5.677 -6.452 4.653 46 HG SER 10 HG SER 10 4.022 -8.299 3.772 47 H TYR 11 H TYR 11 3.720 -4.268 1.664 48 HA TYR 11 HA TYR 11 0.948 -5.252 1.474 49 HB2 TYR 11 1HB TYR 11 2.222 -2.820 0.208 50 HB3 TYR 11 2HB TYR 11 0.598 -3.391 -0.159 51 HD1 TYR 11 2HD TYR 11 2.662 -2.522 2.839 52 HD2 TYR 11 1HD TYR 11 -1.146 -2.370 0.946 53 HE1 TYR 11 2HE TYR 11 1.781 -1.214 4.727 54 HE2 TYR 11 1HE TYR 11 -2.036 -1.061 2.828 55 HH TYR 11 HH TYR 11 -1.378 0.250 4.634 56 H MET 12 H MET 12 0.265 -5.399 -0.946 57 HA MET 12 HA MET 12 2.399 -6.827 -2.393 58 HB2 MET 12 1HB MET 12 0.754 -8.415 -1.667 59 HB3 MET 12 2HB MET 12 -0.561 -7.401 -2.244 60 HG2 MET 12 1HG MET 12 -0.232 -7.974 -4.434 61 HG3 MET 12 2HG MET 12 1.473 -8.348 -4.193 62 HE1 MET 12 3HE MET 12 2.376 -10.224 -4.243 63 HE2 MET 12 1HE MET 12 1.825 -11.805 -3.689 64 HE3 MET 12 2HE MET 12 1.398 -11.240 -5.304 65 H THR 13 H THR 13 2.811 -6.254 -4.449 66 HA THR 13 HA THR 13 1.536 -3.888 -5.489 67 HB THR 13 HB THR 13 3.198 -3.881 -7.191 68 HG1 THR 13 1HG THR 13 3.824 -5.717 -8.017 69 HG21 THR 13 3HG2 THR 13 4.196 -4.772 -4.507 70 HG22 THR 13 1HG2 THR 13 4.236 -3.165 -5.231 71 HG23 THR 13 2HG2 THR 13 5.325 -4.423 -5.816 72 H CYS 14 H CYS 14 -0.211 -3.888 -6.730 73 HA CYS 14 HA CYS 14 -1.050 -6.363 -8.029 74 HB2 CYS 14 1HB CYS 14 -2.716 -5.190 -6.685 75 HB3 CYS 14 2HB CYS 14 -2.493 -3.732 -7.645 76 HG CYS 14 HG CYS 14 -3.762 -6.679 -8.839 77 H SER 15 H SER 15 0.597 -3.530 -8.787 78 HA SER 15 HA SER 15 0.423 -4.136 -11.629 79 HB2 SER 15 1HB SER 15 -0.541 -1.596 -10.379 80 HB3 SER 15 2HB SER 15 0.243 -1.520 -11.957 81 HG SER 15 HG SER 15 -2.007 -3.115 -11.279 82 H ALA 16 H ALA 16 2.125 -3.138 -12.882 83 HA ALA 16 HA ALA 16 4.577 -2.942 -11.365 84 HB1 ALA 16 3HB ALA 16 5.067 -4.114 -13.239 85 HB2 ALA 16 1HB ALA 16 3.851 -3.285 -14.210 86 HB3 ALA 16 2HB ALA 16 5.394 -2.501 -13.871 87 H TYR 17 H TYR 17 5.120 -1.073 -10.455 88 HA TYR 17 HA TYR 17 4.292 1.443 -11.686 89 HB2 TYR 17 1HB TYR 17 3.813 1.553 -9.421 90 HB3 TYR 17 2HB TYR 17 5.249 0.643 -8.965 91 HD1 TYR 17 2HD TYR 17 7.526 1.824 -9.313 92 HD2 TYR 17 1HD TYR 17 3.799 3.874 -9.236 93 HE1 TYR 17 2HE TYR 17 8.699 3.924 -8.800 94 HE2 TYR 17 1HE TYR 17 4.961 5.980 -8.724 95 HH TYR 17 HH TYR 17 7.423 6.878 -9.165 96 H GLN 18 H GLN 18 5.668 2.902 -12.554 97 HA GLN 18 HA GLN 18 8.433 2.038 -12.932 98 HB2 GLN 18 1HB GLN 18 8.521 3.525 -14.785 99 HB3 GLN 18 2HB GLN 18 6.970 2.703 -14.877 100 HG2 GLN 18 1HG GLN 18 5.780 4.587 -14.406 101 HG3 GLN 18 2HG GLN 18 7.084 5.309 -13.465 102 HE21 GLN 18 1HE2 GLN 18 8.956 6.090 -14.674 103 HE22 GLN 18 2HE2 GLN 18 8.711 6.750 -16.252 104 H LYS 19 H LYS 19 10.206 3.436 -12.583 105 HA LYS 19 HA LYS 19 9.711 5.415 -10.473 106 HB2 LYS 19 1HB LYS 19 12.200 5.190 -10.084 107 HB3 LYS 19 2HB LYS 19 11.243 3.755 -9.743 108 HG2 LYS 19 1HG LYS 19 12.128 2.578 -11.479 109 HG3 LYS 19 2HG LYS 19 12.425 4.021 -12.452 110 HD2 LYS 19 1HD LYS 19 13.967 3.403 -9.942 111 HD3 LYS 19 2HD LYS 19 14.472 2.836 -11.535 112 HE2 LYS 19 1HE LYS 19 13.891 5.734 -11.030 113 HE3 LYS 19 2HE LYS 19 15.462 5.039 -10.633 114 HZ1 LYS 19 3HZ LYS 19 14.307 4.653 -13.316 115 HZ2 LYS 19 1HZ LYS 19 15.930 4.620 -12.838 116 HZ3 LYS 19 2HZ LYS 19 15.107 6.094 -12.937 117 H VAL 20 H VAL 20 9.329 7.334 -11.440 118 HA VAL 20 HA VAL 20 10.693 8.193 -13.804 119 HB VAL 20 HB VAL 20 8.417 8.959 -13.299 120 HG11 VAL 20 1HG1 VAL 20 8.714 9.099 -10.840 121 HG12 VAL 20 2HG1 VAL 20 9.660 10.571 -11.074 122 HG13 VAL 20 3HG1 VAL 20 7.958 10.531 -11.538 123 HG21 VAL 20 3HG2 VAL 20 8.691 11.022 -14.245 124 HG22 VAL 20 1HG2 VAL 20 10.029 11.454 -13.179 125 HG23 VAL 20 2HG2 VAL 20 10.298 10.352 -14.529 126 H GLN 21 H GLN 21 11.285 8.430 -10.410 127 HA GLN 21 HA GLN 21 13.492 10.313 -10.924 128 HB2 GLN 21 1HB GLN 21 11.692 9.951 -8.554 129 HB3 GLN 21 2HB GLN 21 13.300 10.631 -8.341 130 HG2 GLN 21 1HG GLN 21 11.428 11.766 -10.375 131 HG3 GLN 21 2HG GLN 21 11.293 12.212 -8.675 132 HE21 GLN 21 1HE2 GLN 21 11.818 14.357 -9.184 133 HE22 GLN 21 2HE2 GLN 21 13.440 14.830 -9.540 134 H ASP 22 H ASP 22 15.493 9.935 -9.891 135 HA ASP 22 HA ASP 22 16.378 7.296 -9.889 136 HB2 ASP 22 1HB ASP 22 17.502 9.868 -8.852 137 HB3 ASP 22 2HB ASP 22 18.312 8.357 -8.450 138 H SER 23 H SER 23 15.263 9.327 -7.231 139 HA SER 23 HA SER 23 15.982 7.623 -5.116 140 HB2 SER 23 1HB SER 23 13.650 9.550 -5.239 141 HB3 SER 23 2HB SER 23 14.383 8.895 -3.775 142 HG SER 23 HG SER 23 16.394 9.899 -4.912 143 H GLU 24 H GLU 24 13.048 7.819 -7.080 144 HA GLU 24 HA GLU 24 11.644 5.809 -5.618 145 HB2 GLU 24 1HB GLU 24 11.207 7.058 -8.328 146 HB3 GLU 24 2HB GLU 24 10.148 5.815 -7.676 147 HG2 GLU 24 1HG GLU 24 9.554 7.226 -5.820 148 HG3 GLU 24 2HG GLU 24 10.713 8.450 -6.338 149 H ILE 25 H ILE 25 10.946 3.740 -6.554 150 HA ILE 25 HA ILE 25 12.892 2.580 -8.425 151 HB ILE 25 HB ILE 25 13.780 1.711 -6.478 152 HG12 ILE 25 1HG1 ILE 25 12.798 -0.045 -8.138 153 HG13 ILE 25 2HG1 ILE 25 13.399 -0.583 -6.573 154 HG21 ILE 25 1HG2 ILE 25 11.066 2.094 -5.441 155 HG22 ILE 25 2HG2 ILE 25 11.904 0.682 -4.799 156 HG23 ILE 25 3HG2 ILE 25 12.627 2.283 -4.641 157 HD11 ILE 25 3HD1 ILE 25 10.586 0.133 -6.509 158 HD12 ILE 25 1HD1 ILE 25 10.946 -1.159 -7.654 159 HD13 ILE 25 2HD1 ILE 25 11.400 -1.332 -5.959 160 H SER 26 H SER 26 12.086 1.098 -9.843 161 HA SER 26 HA SER 26 9.177 0.845 -9.912 162 HB2 SER 26 1HB SER 26 9.458 0.158 -12.225 163 HB3 SER 26 2HB SER 26 10.399 1.622 -11.940 164 HG SER 26 HG SER 26 12.255 0.352 -11.804 165 H PHE 27 H PHE 27 8.101 -1.033 -9.667 166 HA PHE 27 HA PHE 27 9.673 -3.507 -9.424 167 HB2 PHE 27 1HB PHE 27 7.957 -4.135 -7.601 168 HB3 PHE 27 2HB PHE 27 9.245 -3.014 -7.173 169 HD1 PHE 27 1HD PHE 27 5.701 -3.138 -8.273 170 HD2 PHE 27 2HD PHE 27 8.740 -0.938 -6.264 171 HE1 PHE 27 1HE PHE 27 4.020 -1.501 -7.530 172 HE2 PHE 27 2HE PHE 27 7.065 0.701 -5.516 173 HZ PHE 27 HZ PHE 27 4.701 0.420 -6.148 174 HA PRO 28 HA PRO 28 6.726 -5.272 -12.164 175 HB2 PRO 28 1HB PRO 28 6.904 -7.881 -11.436 176 HB3 PRO 28 2HB PRO 28 8.169 -7.050 -12.349 177 HG2 PRO 28 1HG PRO 28 8.026 -7.640 -9.418 178 HG3 PRO 28 2HG PRO 28 9.405 -7.787 -10.522 179 HD2 PRO 28 1HD PRO 28 9.097 -5.682 -8.847 180 HD3 PRO 28 2HD PRO 28 9.875 -5.532 -10.436 181 H ALA 29 H ALA 29 4.794 -6.783 -12.161 182 HA ALA 29 HA ALA 29 3.107 -6.100 -9.881 183 HB1 ALA 29 3HB ALA 29 2.624 -6.859 -12.708 184 HB2 ALA 29 1HB ALA 29 1.377 -7.260 -11.525 185 HB3 ALA 29 2HB ALA 29 1.891 -5.585 -11.734 186 H GLY 30 H GLY 30 3.110 -7.495 -8.238 187 HA2 GLY 30 1HA GLY 30 2.117 -9.674 -7.586 188 HA3 GLY 30 2HA GLY 30 3.069 -10.380 -8.884 189 H VAL 31 H VAL 31 4.253 -7.894 -6.707 190 HA VAL 31 HA VAL 31 5.937 -9.905 -5.371 191 HB VAL 31 HB VAL 31 7.805 -8.256 -5.378 192 HG11 VAL 31 1HG1 VAL 31 8.549 -8.753 -7.600 193 HG12 VAL 31 2HG1 VAL 31 7.618 -10.131 -7.012 194 HG13 VAL 31 3HG1 VAL 31 6.893 -8.998 -8.153 195 HG21 VAL 31 3HG2 VAL 31 6.773 -6.178 -5.720 196 HG22 VAL 31 1HG2 VAL 31 7.632 -6.498 -7.227 197 HG23 VAL 31 2HG2 VAL 31 5.889 -6.751 -7.135 198 H GLU 32 H GLU 32 6.503 -9.469 -3.234 199 HA GLU 32 HA GLU 32 4.689 -7.673 -1.861 200 HB2 GLU 32 1HB GLU 32 5.465 -10.106 -1.188 201 HB3 GLU 32 2HB GLU 32 6.797 -9.239 -0.438 202 HG2 GLU 32 1HG GLU 32 5.222 -7.937 0.886 203 HG3 GLU 32 2HG GLU 32 3.876 -8.781 0.122 204 H VAL 33 H VAL 33 5.329 -6.030 -0.420 205 HA VAL 33 HA VAL 33 8.120 -5.200 -0.419 206 HB VAL 33 HB VAL 33 7.478 -2.848 -1.028 207 HG11 VAL 33 1HG1 VAL 33 7.217 -5.050 -3.064 208 HG12 VAL 33 2HG1 VAL 33 7.336 -3.342 -3.492 209 HG13 VAL 33 3HG1 VAL 33 8.661 -4.132 -2.637 210 HG21 VAL 33 3HG2 VAL 33 4.965 -4.156 -2.064 211 HG22 VAL 33 1HG2 VAL 33 5.053 -3.121 -0.639 212 HG23 VAL 33 2HG2 VAL 33 5.419 -2.460 -2.233 213 H GLN 34 H GLN 34 8.565 -3.502 1.141 214 HA GLN 34 HA GLN 34 6.663 -3.592 3.375 215 HB2 GLN 34 1HB GLN 34 9.622 -3.383 3.171 216 HB3 GLN 34 2HB GLN 34 8.847 -2.563 4.520 217 HG2 GLN 34 1HG GLN 34 8.104 -5.386 3.988 218 HG3 GLN 34 2HG GLN 34 9.686 -5.055 4.694 219 HE21 GLN 34 1HE2 GLN 34 6.253 -4.296 5.092 220 HE22 GLN 34 2HE2 GLN 34 6.286 -4.234 6.818 221 H VAL 35 H VAL 35 6.298 -1.670 4.635 222 HA VAL 35 HA VAL 35 6.601 0.801 3.055 223 HB VAL 35 HB VAL 35 4.357 0.044 4.930 224 HG11 VAL 35 1HG1 VAL 35 3.410 2.152 4.602 225 HG12 VAL 35 2HG1 VAL 35 5.121 2.495 4.864 226 HG13 VAL 35 3HG1 VAL 35 4.457 2.512 3.230 227 HG21 VAL 35 3HG2 VAL 35 3.006 -0.277 3.084 228 HG22 VAL 35 1HG2 VAL 35 4.036 0.695 2.032 229 HG23 VAL 35 2HG2 VAL 35 4.546 -0.923 2.516 230 H LEU 36 H LEU 36 8.375 1.704 3.985 231 HA LEU 36 HA LEU 36 8.956 1.644 6.751 232 HB2 LEU 36 1HB LEU 36 9.926 3.740 4.831 233 HB3 LEU 36 2HB LEU 36 10.731 3.124 6.273 234 HG LEU 36 HG LEU 36 10.368 1.700 3.641 235 HD11 LEU 36 1HD1 LEU 36 12.945 2.320 5.033 236 HD12 LEU 36 2HD1 LEU 36 12.166 3.507 3.988 237 HD13 LEU 36 3HD1 LEU 36 12.658 1.945 3.334 238 HD21 LEU 36 3HD2 LEU 36 12.113 0.324 5.406 239 HD22 LEU 36 1HD2 LEU 36 10.601 -0.238 4.692 240 HD23 LEU 36 2HD2 LEU 36 10.586 0.597 6.246 241 H GLU 37 H GLU 37 7.765 4.302 4.691 242 HA GLU 37 HA GLU 37 6.333 5.368 7.014 243 HB2 GLU 37 1HB GLU 37 8.646 6.499 6.477 244 HB3 GLU 37 2HB GLU 37 7.735 7.284 5.195 245 HG2 GLU 37 1HG GLU 37 6.307 8.359 6.722 246 HG3 GLU 37 2HG GLU 37 6.840 7.338 8.057 247 H LYS 38 H LYS 38 4.742 7.074 6.365 248 HA LYS 38 HA LYS 38 3.775 6.706 3.614 249 HB2 LYS 38 1HB LYS 38 2.176 6.465 6.161 250 HB3 LYS 38 2HB LYS 38 1.430 6.725 4.590 251 HG2 LYS 38 1HG LYS 38 2.549 4.634 3.804 252 HG3 LYS 38 2HG LYS 38 3.060 4.355 5.470 253 HD2 LYS 38 1HD LYS 38 0.771 4.239 6.206 254 HD3 LYS 38 2HD LYS 38 0.191 4.704 4.605 255 HE2 LYS 38 1HE LYS 38 -0.081 2.441 4.473 256 HE3 LYS 38 2HE LYS 38 1.570 2.577 3.872 257 HZ1 LYS 38 3HZ LYS 38 0.687 1.761 6.579 258 HZ2 LYS 38 1HZ LYS 38 2.288 2.182 6.231 259 HZ3 LYS 38 2HZ LYS 38 1.575 0.857 5.458 260 H GLN 39 H GLN 39 2.989 8.506 2.638 261 HA GLN 39 HA GLN 39 3.080 10.989 4.210 262 HB2 GLN 39 1HB GLN 39 3.639 10.360 1.336 263 HB3 GLN 39 2HB GLN 39 3.145 11.986 1.788 264 HG2 GLN 39 1HG GLN 39 5.034 12.012 3.425 265 HG3 GLN 39 2HG GLN 39 5.573 10.485 2.727 266 HE21 GLN 39 1HE2 GLN 39 5.842 10.535 0.309 267 HE22 GLN 39 2HE2 GLN 39 6.582 11.945 -0.363 268 H GLU 40 H GLU 40 1.250 12.040 4.604 269 HA GLU 40 HA GLU 40 -1.269 11.179 4.196 270 HB2 GLU 40 1HB GLU 40 -0.150 13.945 4.416 271 HB3 GLU 40 2HB GLU 40 -1.866 13.738 4.093 272 HG2 GLU 40 1HG GLU 40 -0.487 12.402 6.399 273 HG3 GLU 40 2HG GLU 40 -1.183 14.018 6.510 274 H SER 41 H SER 41 0.670 12.997 1.885 275 HA SER 41 HA SER 41 -1.164 13.720 -0.006 276 HB2 SER 41 1HB SER 41 1.663 12.726 -0.270 277 HB3 SER 41 2HB SER 41 0.727 13.176 -1.695 278 HG SER 41 HG SER 41 0.341 15.170 -0.188 279 H GLY 42 H GLY 42 0.463 10.556 0.212 280 HA2 GLY 42 1HA GLY 42 -1.490 8.813 -0.207 281 HA3 GLY 42 2HA GLY 42 -1.331 9.481 -1.824 282 H TRP 43 H TRP 43 1.563 9.846 -1.581 283 HA TRP 43 HA TRP 43 2.331 7.188 -2.382 284 HB2 TRP 43 1HB TRP 43 3.917 9.756 -2.178 285 HB3 TRP 43 2HB TRP 43 4.542 8.248 -2.840 286 HD1 TRP 43 HD TRP 43 1.385 10.422 -3.534 287 HE1 TRP 43 1HE TRP 43 1.099 10.590 -6.086 288 HE3 TRP 43 3HE TRP 43 5.389 7.595 -4.988 289 HZ2 TRP 43 2HZ TRP 43 2.398 9.648 -8.409 290 HZ3 TRP 43 3HZ TRP 43 5.797 7.277 -7.393 291 HH2 TRP 43 HH TRP 43 4.331 8.283 -9.067 292 H TRP 44 H TRP 44 3.500 5.730 -1.269 293 HA TRP 44 HA TRP 44 4.448 6.519 1.409 294 HB2 TRP 44 1HB TRP 44 3.540 3.757 0.584 295 HB3 TRP 44 2HB TRP 44 3.919 4.315 2.211 296 HD1 TRP 44 HD TRP 44 2.162 7.135 1.603 297 HE1 TRP 44 1HE TRP 44 -0.387 6.950 1.909 298 HE3 TRP 44 3HE TRP 44 1.675 2.055 1.303 299 HZ2 TRP 44 2HZ TRP 44 -2.345 4.919 2.010 300 HZ3 TRP 44 3HZ TRP 44 -0.570 1.070 1.514 301 HH2 TRP 44 HH TRP 44 -2.537 2.474 1.861 302 H TYR 45 H TYR 45 6.495 6.003 1.993 303 HA TYR 45 HA TYR 45 8.343 5.298 -0.063 304 HB2 TYR 45 1HB TYR 45 8.701 6.825 2.003 305 HB3 TYR 45 2HB TYR 45 9.023 5.325 2.864 306 HD1 TYR 45 1HD TYR 45 9.965 6.486 -0.561 307 HD2 TYR 45 2HD TYR 45 11.295 5.186 3.266 308 HE1 TYR 45 1HE TYR 45 12.291 6.534 -1.359 309 HE2 TYR 45 2HE TYR 45 13.625 5.232 2.479 310 HH TYR 45 HH TYR 45 14.955 5.414 0.675 311 H VAL 46 H VAL 46 8.339 3.267 -0.810 312 HA VAL 46 HA VAL 46 8.147 1.044 1.095 313 HB VAL 46 HB VAL 46 8.008 -0.310 -1.115 314 HG11 VAL 46 1HG1 VAL 46 5.833 1.501 -0.092 315 HG12 VAL 46 2HG1 VAL 46 5.550 0.229 -1.283 316 HG13 VAL 46 3HG1 VAL 46 6.132 -0.185 0.330 317 HG21 VAL 46 3HG2 VAL 46 7.477 0.775 -3.079 318 HG22 VAL 46 1HG2 VAL 46 6.933 2.233 -2.250 319 HG23 VAL 46 2HG2 VAL 46 8.656 1.882 -2.378 320 H ARG 47 H ARG 47 9.471 -0.947 0.351 321 HA ARG 47 HA ARG 47 12.114 -0.173 -0.646 322 HB2 ARG 47 1HB ARG 47 12.156 -0.058 1.841 323 HB3 ARG 47 2HB ARG 47 11.704 -1.756 1.896 324 HG2 ARG 47 1HG ARG 47 13.763 -2.416 0.898 325 HG3 ARG 47 2HG ARG 47 14.190 -0.741 0.543 326 HD2 ARG 47 1HD ARG 47 15.442 -1.263 2.446 327 HD3 ARG 47 2HD ARG 47 14.058 -0.366 3.069 328 HE ARG 47 HE ARG 47 13.400 -2.243 4.195 329 HH11 ARG 47 1HH1 ARG 47 15.691 -3.145 1.733 330 HH12 ARG 47 2HH1 ARG 47 15.810 -4.790 2.262 331 HH21 ARG 47 1HH2 ARG 47 13.549 -4.407 4.902 332 HH22 ARG 47 2HH2 ARG 47 14.590 -5.507 4.064 333 H PHE 48 H PHE 48 12.714 -1.525 -2.194 334 HA PHE 48 HA PHE 48 11.660 -4.276 -2.143 335 HB2 PHE 48 1HB PHE 48 10.753 -2.908 -3.995 336 HB3 PHE 48 2HB PHE 48 12.393 -2.621 -4.568 337 HD1 PHE 48 2HD PHE 48 10.666 -5.703 -3.378 338 HD2 PHE 48 1HD PHE 48 12.674 -3.722 -6.565 339 HE1 PHE 48 2HE PHE 48 10.549 -7.759 -4.725 340 HE2 PHE 48 1HE PHE 48 12.560 -5.774 -7.918 341 HZ PHE 48 HZ PHE 48 11.497 -7.796 -6.998 342 H GLY 49 H GLY 49 13.332 -5.361 -1.209 343 HA2 GLY 49 1HA GLY 49 15.315 -6.539 -1.236 344 HA3 GLY 49 2HA GLY 49 15.646 -5.854 -2.820 345 H GLU 50 H GLU 50 17.213 -4.380 -2.980 346 HA GLU 50 HA GLU 50 18.250 -3.223 -0.477 347 HB2 GLU 50 1HB GLU 50 20.430 -3.101 -1.562 348 HB3 GLU 50 2HB GLU 50 19.819 -4.749 -1.590 349 HG2 GLU 50 1HG GLU 50 19.123 -4.452 -3.913 350 HG3 GLU 50 2HG GLU 50 19.744 -2.803 -3.885 351 H LEU 51 H LEU 51 16.089 -2.103 -2.031 352 HA LEU 51 HA LEU 51 17.236 0.535 -2.479 353 HB2 LEU 51 1HB LEU 51 15.479 -0.779 -4.544 354 HB3 LEU 51 2HB LEU 51 16.181 0.835 -4.626 355 HG LEU 51 HG LEU 51 17.870 -1.653 -4.551 356 HD11 LEU 51 1HD1 LEU 51 16.865 -2.123 -6.524 357 HD12 LEU 51 2HD1 LEU 51 18.021 -0.929 -7.114 358 HD13 LEU 51 3HD1 LEU 51 16.353 -0.456 -6.790 359 HD21 LEU 51 3HD2 LEU 51 18.974 0.452 -3.987 360 HD22 LEU 51 1HD2 LEU 51 18.399 1.164 -5.494 361 HD23 LEU 51 2HD2 LEU 51 19.547 -0.175 -5.534 362 H GLU 52 H GLU 52 15.791 2.223 -2.162 363 HA GLU 52 HA GLU 52 13.085 1.453 -1.292 364 HB2 GLU 52 1HB GLU 52 14.890 3.517 -0.016 365 HB3 GLU 52 2HB GLU 52 13.221 3.208 0.442 366 HG2 GLU 52 1HG GLU 52 13.734 1.092 1.312 367 HG3 GLU 52 2HG GLU 52 15.312 1.062 0.527 368 H GLY 53 H GLY 53 11.538 2.423 -2.417 369 HA2 GLY 53 1HA GLY 53 12.075 5.106 -3.520 370 HA3 GLY 53 2HA GLY 53 11.382 3.845 -4.529 371 H TRP 54 H TRP 54 10.059 6.208 -4.266 372 HA TRP 54 HA TRP 54 7.958 5.766 -2.274 373 HB2 TRP 54 1HB TRP 54 8.573 8.139 -4.046 374 HB3 TRP 54 2HB TRP 54 7.197 8.055 -2.949 375 HD1 TRP 54 HD TRP 54 11.007 8.416 -2.953 376 HE1 TRP 54 1HE TRP 54 11.756 9.240 -0.633 377 HE3 TRP 54 3HE TRP 54 6.543 8.065 -0.485 378 HZ2 TRP 54 2HZ TRP 54 10.608 9.683 1.908 379 HZ3 TRP 54 3HZ TRP 54 6.454 8.707 1.889 380 HH2 TRP 54 HH TRP 54 8.446 9.499 3.058 381 H ALA 55 H ALA 55 6.244 4.632 -2.876 382 HA ALA 55 HA ALA 55 5.330 4.840 -5.672 383 HB1 ALA 55 3HB ALA 55 6.182 2.633 -5.313 384 HB2 ALA 55 1HB ALA 55 5.251 2.460 -3.825 385 HB3 ALA 55 2HB ALA 55 4.422 2.536 -5.380 386 HA PRO 56 HA PRO 56 1.497 6.353 -4.128 387 HB2 PRO 56 1HB PRO 56 -0.126 5.634 -6.182 388 HB3 PRO 56 2HB PRO 56 1.034 6.963 -6.295 389 HG2 PRO 56 1HG PRO 56 1.280 4.146 -7.278 390 HG3 PRO 56 2HG PRO 56 1.739 5.657 -8.085 391 HD2 PRO 56 1HD PRO 56 3.541 4.062 -6.844 392 HD3 PRO 56 2HD PRO 56 3.717 5.827 -6.915 393 H SER 57 H SER 57 -0.099 5.625 -2.838 394 HA SER 57 HA SER 57 -0.246 2.945 -2.064 395 HB2 SER 57 1HB SER 57 -0.984 4.615 -0.525 396 HB3 SER 57 2HB SER 57 -2.167 5.243 -1.671 397 HG SER 57 HG SER 57 -2.266 2.595 -0.681 398 H HIS 58 H HIS 58 -1.958 4.716 -4.530 399 HA HIS 58 HA HIS 58 -4.165 3.104 -4.961 400 HB2 HIS 58 1HB HIS 58 -2.541 4.365 -7.173 401 HB3 HIS 58 2HB HIS 58 -4.269 4.023 -7.169 402 HD1 HIS 58 1HD HIS 58 -1.789 6.574 -6.219 403 HD2 HIS 58 2HD HIS 58 -5.808 5.794 -5.514 404 HE1 HIS 58 1HE HIS 58 -2.737 8.714 -5.299 405 HE2 HIS 58 2HE HIS 58 -5.150 8.192 -4.801 406 H TYR 59 H TYR 59 -0.846 2.687 -6.094 407 HA TYR 59 HA TYR 59 -1.428 0.388 -7.690 408 HB2 TYR 59 1HB TYR 59 1.140 1.596 -6.670 409 HB3 TYR 59 2HB TYR 59 1.109 0.119 -7.627 410 HD1 TYR 59 1HD TYR 59 -0.738 3.360 -7.901 411 HD2 TYR 59 2HD TYR 59 1.873 0.560 -9.758 412 HE1 TYR 59 1HE TYR 59 -0.773 4.703 -9.961 413 HE2 TYR 59 2HE TYR 59 1.846 1.896 -11.823 414 HH TYR 59 HH TYR 59 1.089 3.721 -12.826 415 H LEU 60 H LEU 60 -0.345 0.934 -4.393 416 HA LEU 60 HA LEU 60 0.180 -1.849 -3.883 417 HB2 LEU 60 1HB LEU 60 -0.091 0.483 -1.993 418 HB3 LEU 60 2HB LEU 60 0.476 -1.126 -1.551 419 HG LEU 60 HG LEU 60 1.873 0.720 -3.486 420 HD11 LEU 60 1HD1 LEU 60 3.056 1.604 -1.803 421 HD12 LEU 60 2HD1 LEU 60 3.152 0.074 -0.933 422 HD13 LEU 60 3HD1 LEU 60 1.710 1.079 -0.792 423 HD21 LEU 60 3HD2 LEU 60 2.727 -1.884 -2.224 424 HD22 LEU 60 1HD2 LEU 60 3.727 -0.859 -3.253 425 HD23 LEU 60 2HD2 LEU 60 2.292 -1.641 -3.917 426 H VAL 61 H VAL 61 -1.130 -3.335 -2.965 427 HA VAL 61 HA VAL 61 -3.935 -2.582 -2.605 428 HB VAL 61 HB VAL 61 -3.438 -4.481 -4.096 429 HG11 VAL 61 1HG1 VAL 61 -2.079 -6.169 -3.558 430 HG12 VAL 61 2HG1 VAL 61 -1.571 -5.175 -2.192 431 HG13 VAL 61 3HG1 VAL 61 -2.837 -6.385 -1.981 432 HG21 VAL 61 3HG2 VAL 61 -4.805 -6.145 -2.337 433 HG22 VAL 61 1HG2 VAL 61 -5.230 -4.511 -1.827 434 HG23 VAL 61 2HG2 VAL 61 -5.515 -5.017 -3.492 435 H LEU 62 H LEU 62 -4.692 -2.224 -0.634 436 HA LEU 62 HA LEU 62 -3.166 -2.946 1.701 437 HB2 LEU 62 1HB LEU 62 -5.939 -1.885 1.885 438 HB3 LEU 62 2HB LEU 62 -4.528 -1.526 2.878 439 HG LEU 62 HG LEU 62 -4.732 0.461 1.795 440 HD11 LEU 62 1HD1 LEU 62 -2.872 0.644 0.557 441 HD12 LEU 62 2HD1 LEU 62 -3.397 -0.580 -0.599 442 HD13 LEU 62 3HD1 LEU 62 -2.662 -1.067 0.928 443 HD21 LEU 62 3HD2 LEU 62 -6.272 0.756 0.226 444 HD22 LEU 62 1HD2 LEU 62 -6.478 -0.993 0.135 445 HD23 LEU 62 2HD2 LEU 62 -5.326 -0.185 -0.928 446 H ASP 63 H ASP 63 -4.386 -3.903 3.617 447 HA ASP 63 HA ASP 63 -5.634 -6.382 2.712 448 HB2 ASP 63 1HB ASP 63 -4.825 -5.669 5.532 449 HB3 ASP 63 2HB ASP 63 -5.125 -7.273 4.869 450 H GLU 64 H GLU 64 -7.747 -5.927 2.279 451 HA GLU 64 HA GLU 64 -9.336 -4.751 4.463 452 HB2 GLU 64 1HB GLU 64 -10.902 -3.971 2.848 453 HB3 GLU 64 2HB GLU 64 -9.305 -3.534 2.258 454 HG2 GLU 64 1HG GLU 64 -9.410 -5.671 0.880 455 HG3 GLU 64 2HG GLU 64 -11.127 -5.702 1.277 456 H ASN 65 H ASN 65 -10.362 -6.240 5.613 457 HA ASN 65 HA ASN 65 -11.370 -8.204 6.206 458 HB2 ASN 65 1HB ASN 65 -12.785 -7.236 3.765 459 HB3 ASN 65 2HB ASN 65 -13.197 -8.835 4.377 460 HD21 ASN 65 1HD2 ASN 65 -13.843 -8.975 6.640 461 HD22 ASN 65 2HD2 ASN 65 -14.707 -7.653 7.341 462 H GLU 66 H GLU 66 -8.891 -8.520 4.779 463 HA GLU 66 HA GLU 66 -9.057 -11.301 4.204 464 HB2 GLU 66 1HB GLU 66 -9.935 -10.414 2.075 465 HB3 GLU 66 2HB GLU 66 -8.466 -9.469 1.873 466 HG2 GLU 66 1HG GLU 66 -8.166 -11.343 0.518 467 HG3 GLU 66 2HG GLU 66 -7.215 -11.676 1.964 468 H GLN 67 H GLN 67 -7.280 -11.981 5.186 469 HA GLN 67 HA GLN 67 -4.778 -10.486 4.754 470 HB2 GLN 67 1HB GLN 67 -5.802 -11.810 7.262 471 HB3 GLN 67 2HB GLN 67 -4.113 -11.370 7.045 472 HG2 GLN 67 1HG GLN 67 -4.858 -9.526 8.139 473 HG3 GLN 67 2HG GLN 67 -5.145 -9.020 6.475 474 HE21 GLN 67 1HE2 GLN 67 -6.502 -7.756 8.397 475 HE22 GLN 67 2HE2 GLN 67 -8.164 -8.229 8.399 476 HA PRO 68 HA PRO 68 -4.131 -14.719 3.097 477 HB2 PRO 68 1HB PRO 68 -2.462 -13.911 1.115 478 HB3 PRO 68 2HB PRO 68 -4.222 -13.888 0.957 479 HG2 PRO 68 1HG PRO 68 -2.349 -11.645 1.608 480 HG3 PRO 68 2HG PRO 68 -3.747 -11.655 0.517 481 HD2 PRO 68 1HD PRO 68 -3.861 -10.630 3.020 482 HD3 PRO 68 2HD PRO 68 -5.255 -11.406 2.242 483 H ASP 69 H ASP 69 -2.988 -14.959 5.196 484 HA ASP 69 HA ASP 69 -1.103 -15.068 6.531 485 HB2 ASP 69 1HB ASP 69 -1.163 -17.067 4.919 486 HB3 ASP 69 2HB ASP 69 0.129 -16.247 4.048 487 HA PRO 70 HA PRO 70 1.060 -11.486 4.316 488 HB2 PRO 70 1HB PRO 70 0.236 -9.512 5.988 489 HB3 PRO 70 2HB PRO 70 -0.665 -9.986 4.543 490 HG2 PRO 70 1HG PRO 70 -1.129 -10.751 7.399 491 HG3 PRO 70 2HG PRO 70 -2.308 -10.283 6.161 492 HD2 PRO 70 1HD PRO 70 -1.857 -12.865 6.842 493 HD3 PRO 70 2HD PRO 70 -2.316 -12.378 5.198 494 H SER 71 H SER 71 3.098 -11.051 4.908 495 HA SER 71 HA SER 71 3.916 -10.465 7.551 496 HB2 SER 71 1HB SER 71 5.312 -12.472 7.964 497 HB3 SER 71 2HB SER 71 3.591 -12.855 7.923 498 HG SER 71 HG SER 71 4.486 -14.361 6.642 499 H GLY 72 H GLY 72 5.841 -9.433 7.525 500 HA2 GLY 72 1HA GLY 72 7.628 -9.841 5.232 501 HA3 GLY 72 2HA GLY 72 7.033 -8.219 5.554 502 H LYS 73 H LYS 73 8.609 -10.920 7.264 503 HA LYS 73 HA LYS 73 10.218 -8.924 8.715 504 HB2 LYS 73 1HB LYS 73 9.444 -11.726 9.547 505 HB3 LYS 73 2HB LYS 73 10.502 -10.661 10.462 506 HG2 LYS 73 1HG LYS 73 8.759 -9.204 11.007 507 HG3 LYS 73 2HG LYS 73 7.708 -9.849 9.744 508 HD2 LYS 73 1HD LYS 73 6.813 -10.826 11.632 509 HD3 LYS 73 2HD LYS 73 7.936 -12.075 11.090 510 HE2 LYS 73 1HE LYS 73 9.409 -11.685 12.803 511 HE3 LYS 73 2HE LYS 73 8.926 -9.999 12.978 512 HZ1 LYS 73 3HZ LYS 73 7.120 -12.227 13.704 513 HZ2 LYS 73 1HZ LYS 73 7.015 -10.601 14.159 514 HZ3 LYS 73 2HZ LYS 73 8.232 -11.583 14.804 515 H GLU 74 H GLU 74 12.127 -8.743 7.723 516 HA GLU 74 HA GLU 74 13.571 -11.226 7.069 517 HB2 GLU 74 1HB GLU 74 13.301 -8.694 5.478 518 HB3 GLU 74 2HB GLU 74 14.716 -9.721 5.286 519 HG2 GLU 74 1HG GLU 74 13.133 -11.619 4.809 520 HG3 GLU 74 2HG GLU 74 11.846 -10.416 4.738 521 H SER 75 H SER 75 15.853 -11.162 7.304 522 HA SER 75 HA SER 75 17.227 -8.888 8.314 523 HB2 SER 75 1HB SER 75 16.097 -10.850 10.251 524 HB3 SER 75 2HB SER 75 17.726 -10.249 10.557 525 HG SER 75 HG SER 75 15.715 -9.048 11.365 526 H GLY 76 H GLY 76 19.045 -9.201 7.202 527 HA2 GLY 76 1HA GLY 76 20.461 -11.753 7.582 528 HA3 GLY 76 2HA GLY 76 20.231 -11.128 5.956 529 HA PRO 77 HA PRO 77 24.084 -9.057 6.375 530 HB2 PRO 77 1HB PRO 77 23.781 -7.189 4.428 531 HB3 PRO 77 2HB PRO 77 24.077 -8.897 4.083 532 HG2 PRO 77 1HG PRO 77 21.496 -7.381 4.066 533 HG3 PRO 77 2HG PRO 77 22.095 -8.584 2.909 534 HD2 PRO 77 1HD PRO 77 20.289 -9.187 4.834 535 HD3 PRO 77 2HD PRO 77 21.487 -10.359 4.247 536 H SER 78 H SER 78 21.255 -6.920 5.983 537 HA SER 78 HA SER 78 22.117 -4.530 6.821 538 HB2 SER 78 1HB SER 78 19.691 -5.370 6.396 539 HB3 SER 78 2HB SER 78 19.649 -5.629 8.140 540 HG SER 78 HG SER 78 19.938 -3.219 6.709 541 H SER 79 H SER 79 23.462 -3.950 8.382 542 HA SER 79 HA SER 79 23.656 -5.510 10.824 543 HB2 SER 79 1HB SER 79 25.729 -4.815 9.741 544 HB3 SER 79 2HB SER 79 25.246 -3.122 9.854 545 HG SER 79 HG SER 79 25.066 -3.938 12.275 546 H GLY 80 H GLY 80 23.344 -2.028 10.085 547 HA2 GLY 80 1HA GLY 80 21.141 -1.337 11.462 548 HA3 GLY 80 2HA GLY 80 22.321 -1.521 12.751 Start of MODEL 7 1 H1 GLY 1 H GLY 1 13.664 -11.359 23.653 2 HA2 GLY 1 1HA GLY 1 13.203 -10.655 25.789 3 HA3 GLY 1 2HA GLY 1 14.250 -9.284 25.455 4 H SER 2 H SER 2 13.077 -7.725 23.755 5 HA SER 2 HA SER 2 10.683 -6.853 25.144 6 HB2 SER 2 1HB SER 2 12.276 -5.578 22.908 7 HB3 SER 2 2HB SER 2 10.892 -4.831 23.705 8 HG SER 2 HG SER 2 13.377 -4.689 24.458 9 H SER 3 H SER 3 8.954 -5.823 23.618 10 HA SER 3 HA SER 3 8.393 -7.666 21.395 11 HB2 SER 3 1HB SER 3 7.106 -8.045 23.660 12 HB3 SER 3 2HB SER 3 6.146 -6.672 23.109 13 HG SER 3 HG SER 3 5.120 -8.083 21.951 14 H GLY 4 H GLY 4 8.081 -6.606 19.558 15 HA2 GLY 4 1HA GLY 4 6.958 -5.038 18.184 16 HA3 GLY 4 2HA GLY 4 6.673 -4.038 19.601 17 H SER 5 H SER 5 9.020 -4.988 17.179 18 HA SER 5 HA SER 5 10.610 -2.608 17.884 19 HB2 SER 5 1HB SER 5 11.631 -5.169 16.633 20 HB3 SER 5 2HB SER 5 12.601 -3.765 17.078 21 HG SER 5 HG SER 5 11.091 -5.358 18.881 22 H SER 6 H SER 6 10.431 -1.062 16.418 23 HA SER 6 HA SER 6 9.773 -0.035 14.459 24 HB2 SER 6 1HB SER 6 12.092 -1.828 13.847 25 HB3 SER 6 2HB SER 6 11.341 -0.921 12.534 26 HG SER 6 HG SER 6 13.021 -0.058 14.457 27 H GLY 7 H GLY 7 7.930 -2.012 15.039 28 HA2 GLY 7 1HA GLY 7 7.464 -3.948 13.099 29 HA3 GLY 7 2HA GLY 7 6.210 -3.161 14.045 30 H ALA 8 H ALA 8 7.088 -3.835 10.998 31 HA ALA 8 HA ALA 8 5.866 -1.375 9.925 32 HB1 ALA 8 3HB ALA 8 7.077 -1.885 7.813 33 HB2 ALA 8 1HB ALA 8 8.137 -1.523 9.175 34 HB3 ALA 8 2HB ALA 8 7.907 -3.193 8.655 35 H THR 9 H THR 9 4.925 -1.865 7.627 36 HA THR 9 HA THR 9 3.380 -4.371 7.777 37 HB THR 9 HB THR 9 2.364 -1.693 6.804 38 HG1 THR 9 1HG THR 9 1.812 -1.418 8.820 39 HG21 THR 9 3HG2 THR 9 0.431 -2.704 6.147 40 HG22 THR 9 1HG2 THR 9 0.560 -3.984 7.352 41 HG23 THR 9 2HG2 THR 9 1.530 -4.057 5.880 42 H SER 10 H SER 10 3.524 -5.635 6.044 43 HA SER 10 HA SER 10 4.830 -4.583 3.649 44 HB2 SER 10 1HB SER 10 5.417 -6.813 4.954 45 HB3 SER 10 2HB SER 10 4.125 -7.473 3.950 46 HG SER 10 HG SER 10 6.231 -5.956 2.839 47 H TYR 11 H TYR 11 3.915 -4.601 1.636 48 HA TYR 11 HA TYR 11 1.078 -5.388 1.490 49 HB2 TYR 11 1HB TYR 11 2.417 -3.027 0.152 50 HB3 TYR 11 2HB TYR 11 0.745 -3.517 -0.096 51 HD1 TYR 11 2HD TYR 11 3.047 -2.700 2.738 52 HD2 TYR 11 1HD TYR 11 -0.868 -2.390 1.102 53 HE1 TYR 11 2HE TYR 11 2.364 -1.312 4.651 54 HE2 TYR 11 1HE TYR 11 -1.562 -1.001 3.010 55 HH TYR 11 HH TYR 11 0.066 0.632 4.784 56 H MET 12 H MET 12 0.392 -5.504 -0.936 57 HA MET 12 HA MET 12 2.493 -6.938 -2.423 58 HB2 MET 12 1HB MET 12 -0.309 -7.708 -1.791 59 HB3 MET 12 2HB MET 12 0.308 -8.138 -3.381 60 HG2 MET 12 1HG MET 12 1.517 -8.911 -0.735 61 HG3 MET 12 2HG MET 12 0.598 -9.960 -1.813 62 HE1 MET 12 3HE MET 12 2.916 -10.914 -4.586 63 HE2 MET 12 1HE MET 12 1.340 -11.034 -3.803 64 HE3 MET 12 2HE MET 12 1.739 -9.613 -4.770 65 H THR 13 H THR 13 2.938 -6.099 -4.345 66 HA THR 13 HA THR 13 1.505 -3.885 -5.393 67 HB THR 13 HB THR 13 3.055 -3.901 -7.219 68 HG1 THR 13 1HG THR 13 4.077 -5.678 -7.879 69 HG21 THR 13 3HG2 THR 13 5.203 -3.957 -6.056 70 HG22 THR 13 1HG2 THR 13 4.472 -4.858 -4.728 71 HG23 THR 13 2HG2 THR 13 3.968 -3.199 -5.051 72 H CYS 14 H CYS 14 -0.227 -3.846 -6.661 73 HA CYS 14 HA CYS 14 -1.192 -6.349 -7.812 74 HB2 CYS 14 1HB CYS 14 -2.795 -5.083 -6.501 75 HB3 CYS 14 2HB CYS 14 -2.519 -3.651 -7.486 76 HG CYS 14 HG CYS 14 -4.994 -5.377 -7.861 77 H SER 15 H SER 15 0.409 -3.494 -8.740 78 HA SER 15 HA SER 15 0.217 -4.279 -11.544 79 HB2 SER 15 1HB SER 15 -0.755 -1.694 -10.408 80 HB3 SER 15 2HB SER 15 0.037 -1.668 -11.984 81 HG SER 15 HG SER 15 -2.444 -2.227 -11.544 82 H ALA 16 H ALA 16 1.757 -2.848 -12.887 83 HA ALA 16 HA ALA 16 4.312 -2.831 -11.492 84 HB1 ALA 16 3HB ALA 16 4.341 -3.973 -13.574 85 HB2 ALA 16 1HB ALA 16 3.581 -2.615 -14.404 86 HB3 ALA 16 2HB ALA 16 5.233 -2.469 -13.802 87 H TYR 17 H TYR 17 5.433 -1.051 -10.961 88 HA TYR 17 HA TYR 17 4.391 1.548 -11.881 89 HB2 TYR 17 1HB TYR 17 3.861 1.542 -9.612 90 HB3 TYR 17 2HB TYR 17 5.313 0.651 -9.171 91 HD1 TYR 17 2HD TYR 17 7.567 1.898 -9.482 92 HD2 TYR 17 1HD TYR 17 3.790 3.850 -9.336 93 HE1 TYR 17 2HE TYR 17 8.687 4.007 -8.895 94 HE2 TYR 17 1HE TYR 17 4.900 5.966 -8.749 95 HH TYR 17 HH TYR 17 7.827 6.708 -9.256 96 H GLN 18 H GLN 18 5.835 3.071 -12.559 97 HA GLN 18 HA GLN 18 8.605 2.155 -12.878 98 HB2 GLN 18 1HB GLN 18 8.719 3.320 -14.850 99 HB3 GLN 18 2HB GLN 18 7.000 2.947 -14.821 100 HG2 GLN 18 1HG GLN 18 6.528 5.164 -13.923 101 HG3 GLN 18 2HG GLN 18 8.250 5.539 -13.938 102 HE21 GLN 18 1HE2 GLN 18 9.260 6.002 -15.861 103 HE22 GLN 18 2HE2 GLN 18 8.398 6.285 -17.331 104 H LYS 19 H LYS 19 10.351 3.491 -12.375 105 HA LYS 19 HA LYS 19 9.884 5.288 -10.173 106 HB2 LYS 19 1HB LYS 19 12.303 5.406 -10.005 107 HB3 LYS 19 2HB LYS 19 11.802 3.731 -10.200 108 HG2 LYS 19 1HG LYS 19 12.399 3.822 -12.565 109 HG3 LYS 19 2HG LYS 19 12.897 5.505 -12.374 110 HD2 LYS 19 1HD LYS 19 14.090 3.262 -10.759 111 HD3 LYS 19 2HD LYS 19 14.744 3.766 -12.319 112 HE2 LYS 19 1HE LYS 19 14.261 5.846 -10.247 113 HE3 LYS 19 2HE LYS 19 15.642 4.769 -10.043 114 HZ1 LYS 19 3HZ LYS 19 15.670 7.031 -11.491 115 HZ2 LYS 19 1HZ LYS 19 15.372 5.880 -12.694 116 HZ3 LYS 19 2HZ LYS 19 16.742 5.741 -11.713 117 H VAL 20 H VAL 20 9.747 7.437 -10.237 118 HA VAL 20 HA VAL 20 10.078 8.777 -12.809 119 HB VAL 20 HB VAL 20 8.004 9.189 -11.577 120 HG11 VAL 20 1HG1 VAL 20 9.873 10.178 -9.439 121 HG12 VAL 20 2HG1 VAL 20 8.168 10.631 -9.498 122 HG13 VAL 20 3HG1 VAL 20 8.626 8.937 -9.315 123 HG21 VAL 20 3HG2 VAL 20 9.428 11.001 -12.915 124 HG22 VAL 20 1HG2 VAL 20 7.881 11.382 -12.159 125 HG23 VAL 20 2HG2 VAL 20 9.388 11.800 -11.343 126 H GLN 21 H GLN 21 11.607 8.510 -9.722 127 HA GLN 21 HA GLN 21 13.671 10.388 -10.613 128 HB2 GLN 21 1HB GLN 21 12.313 10.409 -7.918 129 HB3 GLN 21 2HB GLN 21 13.840 11.221 -8.235 130 HG2 GLN 21 1HG GLN 21 12.758 12.608 -9.924 131 HG3 GLN 21 2HG GLN 21 11.227 11.791 -9.615 132 HE21 GLN 21 1HE2 GLN 21 11.596 14.554 -9.401 133 HE22 GLN 21 2HE2 GLN 21 11.386 15.008 -7.748 134 H ASP 22 H ASP 22 15.752 10.018 -9.719 135 HA ASP 22 HA ASP 22 16.592 7.417 -9.570 136 HB2 ASP 22 1HB ASP 22 18.634 8.296 -8.426 137 HB3 ASP 22 2HB ASP 22 18.179 9.206 -9.863 138 H SER 23 H SER 23 15.097 9.309 -7.090 139 HA SER 23 HA SER 23 15.928 7.706 -4.878 140 HB2 SER 23 1HB SER 23 13.812 8.886 -3.838 141 HB3 SER 23 2HB SER 23 15.272 9.814 -4.182 142 HG SER 23 HG SER 23 13.758 10.995 -5.149 143 H GLU 24 H GLU 24 13.052 7.809 -6.935 144 HA GLU 24 HA GLU 24 11.657 5.774 -5.501 145 HB2 GLU 24 1HB GLU 24 11.272 7.188 -8.105 146 HB3 GLU 24 2HB GLU 24 10.366 5.713 -7.800 147 HG2 GLU 24 1HG GLU 24 8.946 7.433 -7.126 148 HG3 GLU 24 2HG GLU 24 9.627 6.805 -5.626 149 H ILE 25 H ILE 25 10.911 3.749 -6.695 150 HA ILE 25 HA ILE 25 13.025 2.601 -8.368 151 HB ILE 25 HB ILE 25 13.773 1.685 -6.390 152 HG12 ILE 25 1HG1 ILE 25 12.862 -0.039 -8.129 153 HG13 ILE 25 2HG1 ILE 25 13.378 -0.600 -6.543 154 HG21 ILE 25 1HG2 ILE 25 11.757 0.661 -4.857 155 HG22 ILE 25 2HG2 ILE 25 12.530 2.227 -4.609 156 HG23 ILE 25 3HG2 ILE 25 11.019 2.122 -5.513 157 HD11 ILE 25 3HD1 ILE 25 10.976 -1.136 -7.756 158 HD12 ILE 25 1HD1 ILE 25 11.348 -1.345 -6.045 159 HD13 ILE 25 2HD1 ILE 25 10.574 0.138 -6.605 160 H SER 26 H SER 26 12.318 1.184 -9.890 161 HA SER 26 HA SER 26 9.432 0.946 -10.197 162 HB2 SER 26 1HB SER 26 11.355 -0.177 -12.191 163 HB3 SER 26 2HB SER 26 9.803 0.617 -12.454 164 HG SER 26 HG SER 26 11.953 1.767 -12.897 165 H PHE 27 H PHE 27 8.328 -0.833 -9.727 166 HA PHE 27 HA PHE 27 9.796 -3.376 -9.492 167 HB2 PHE 27 1HB PHE 27 8.057 -3.938 -7.696 168 HB3 PHE 27 2HB PHE 27 9.319 -2.791 -7.258 169 HD1 PHE 27 1HD PHE 27 5.837 -2.915 -8.567 170 HD2 PHE 27 2HD PHE 27 8.738 -0.769 -6.310 171 HE1 PHE 27 1HE PHE 27 4.116 -1.281 -7.916 172 HE2 PHE 27 2HE PHE 27 7.022 0.868 -5.655 173 HZ PHE 27 HZ PHE 27 4.707 0.613 -6.457 174 HA PRO 28 HA PRO 28 6.865 -5.041 -12.315 175 HB2 PRO 28 1HB PRO 28 7.001 -7.662 -11.620 176 HB3 PRO 28 2HB PRO 28 8.286 -6.836 -12.508 177 HG2 PRO 28 1HG PRO 28 8.104 -7.463 -9.586 178 HG3 PRO 28 2HG PRO 28 9.493 -7.613 -10.678 179 HD2 PRO 28 1HD PRO 28 9.195 -5.526 -8.978 180 HD3 PRO 28 2HD PRO 28 9.991 -5.366 -10.557 181 H ALA 29 H ALA 29 4.963 -6.667 -12.301 182 HA ALA 29 HA ALA 29 3.249 -5.960 -10.032 183 HB1 ALA 29 3HB ALA 29 2.497 -7.094 -12.724 184 HB2 ALA 29 1HB ALA 29 1.381 -6.542 -11.474 185 HB3 ALA 29 2HB ALA 29 2.447 -5.389 -12.277 186 H GLY 30 H GLY 30 3.691 -7.447 -8.456 187 HA2 GLY 30 1HA GLY 30 2.472 -9.668 -7.942 188 HA3 GLY 30 2HA GLY 30 3.548 -10.294 -9.182 189 H VAL 31 H VAL 31 4.416 -7.847 -6.810 190 HA VAL 31 HA VAL 31 6.078 -9.826 -5.407 191 HB VAL 31 HB VAL 31 7.818 -7.949 -5.205 192 HG11 VAL 31 1HG1 VAL 31 8.758 -9.550 -6.458 193 HG12 VAL 31 2HG1 VAL 31 7.286 -9.814 -7.394 194 HG13 VAL 31 3HG1 VAL 31 8.381 -8.498 -7.822 195 HG21 VAL 31 3HG2 VAL 31 6.688 -6.057 -6.007 196 HG22 VAL 31 1HG2 VAL 31 7.805 -6.487 -7.302 197 HG23 VAL 31 2HG2 VAL 31 6.097 -6.906 -7.435 198 H GLU 32 H GLU 32 6.955 -8.905 -3.317 199 HA GLU 32 HA GLU 32 4.830 -7.341 -2.021 200 HB2 GLU 32 1HB GLU 32 5.537 -9.747 -1.274 201 HB3 GLU 32 2HB GLU 32 6.883 -8.914 -0.509 202 HG2 GLU 32 1HG GLU 32 4.982 -7.411 0.486 203 HG3 GLU 32 2HG GLU 32 3.981 -8.819 0.133 204 H VAL 33 H VAL 33 5.316 -5.593 -0.712 205 HA VAL 33 HA VAL 33 8.117 -4.723 -0.600 206 HB VAL 33 HB VAL 33 7.454 -2.410 -1.151 207 HG11 VAL 33 1HG1 VAL 33 7.283 -4.662 -3.052 208 HG12 VAL 33 2HG1 VAL 33 6.714 -3.097 -3.637 209 HG13 VAL 33 3HG1 VAL 33 8.363 -3.269 -3.035 210 HG21 VAL 33 3HG2 VAL 33 5.170 -2.356 -2.466 211 HG22 VAL 33 1HG2 VAL 33 4.779 -3.694 -1.386 212 HG23 VAL 33 2HG2 VAL 33 5.222 -2.123 -0.718 213 H GLN 34 H GLN 34 8.652 -3.437 1.164 214 HA GLN 34 HA GLN 34 6.710 -3.524 3.349 215 HB2 GLN 34 1HB GLN 34 9.677 -3.431 3.169 216 HB3 GLN 34 2HB GLN 34 8.930 -2.679 4.573 217 HG2 GLN 34 1HG GLN 34 8.157 -4.665 5.402 218 HG3 GLN 34 2HG GLN 34 8.096 -5.430 3.815 219 HE21 GLN 34 1HE2 GLN 34 9.431 -5.964 6.547 220 HE22 GLN 34 2HE2 GLN 34 11.038 -6.424 6.111 221 H VAL 35 H VAL 35 5.687 -1.766 4.042 222 HA VAL 35 HA VAL 35 6.314 0.806 2.857 223 HB VAL 35 HB VAL 35 4.068 -0.152 4.619 224 HG11 VAL 35 1HG1 VAL 35 3.348 2.366 3.786 225 HG12 VAL 35 2HG1 VAL 35 3.894 1.932 5.407 226 HG13 VAL 35 3HG1 VAL 35 5.044 2.565 4.228 227 HG21 VAL 35 3HG2 VAL 35 2.704 0.464 2.654 228 HG22 VAL 35 1HG2 VAL 35 4.181 0.896 1.793 229 HG23 VAL 35 2HG2 VAL 35 3.904 -0.774 2.285 230 H LEU 36 H LEU 36 8.070 1.729 3.773 231 HA LEU 36 HA LEU 36 8.729 1.547 6.523 232 HB2 LEU 36 1HB LEU 36 9.633 3.612 4.523 233 HB3 LEU 36 2HB LEU 36 10.419 3.212 6.049 234 HG LEU 36 HG LEU 36 10.300 1.573 3.530 235 HD11 LEU 36 1HD1 LEU 36 12.385 2.265 3.214 236 HD12 LEU 36 2HD1 LEU 36 12.843 1.829 4.860 237 HD13 LEU 36 3HD1 LEU 36 12.138 3.412 4.531 238 HD21 LEU 36 3HD2 LEU 36 11.799 0.068 5.171 239 HD22 LEU 36 1HD2 LEU 36 10.072 -0.190 4.923 240 HD23 LEU 36 2HD2 LEU 36 10.635 0.708 6.333 241 H GLU 37 H GLU 37 7.613 4.354 4.618 242 HA GLU 37 HA GLU 37 6.086 5.260 6.942 243 HB2 GLU 37 1HB GLU 37 8.482 6.334 6.672 244 HB3 GLU 37 2HB GLU 37 7.675 7.301 5.446 245 HG2 GLU 37 1HG GLU 37 6.401 7.079 8.117 246 HG3 GLU 37 2HG GLU 37 7.837 8.087 7.953 247 H LYS 38 H LYS 38 4.658 7.151 6.345 248 HA LYS 38 HA LYS 38 3.816 6.988 3.528 249 HB2 LYS 38 1HB LYS 38 1.992 7.086 5.939 250 HB3 LYS 38 2HB LYS 38 1.473 7.099 4.258 251 HG2 LYS 38 1HG LYS 38 2.322 4.868 3.931 252 HG3 LYS 38 2HG LYS 38 2.993 4.851 5.564 253 HD2 LYS 38 1HD LYS 38 0.943 4.584 6.550 254 HD3 LYS 38 2HD LYS 38 0.088 5.408 5.244 255 HE2 LYS 38 1HE LYS 38 0.780 3.365 3.821 256 HE3 LYS 38 2HE LYS 38 1.076 2.581 5.372 257 HZ1 LYS 38 3HZ LYS 38 -1.266 2.511 4.164 258 HZ2 LYS 38 1HZ LYS 38 -1.484 3.937 5.050 259 HZ3 LYS 38 2HZ LYS 38 -1.117 2.492 5.849 260 H GLN 39 H GLN 39 2.951 8.866 2.624 261 HA GLN 39 HA GLN 39 3.365 11.306 4.224 262 HB2 GLN 39 1HB GLN 39 3.894 10.736 1.319 263 HB3 GLN 39 2HB GLN 39 3.692 12.382 1.904 264 HG2 GLN 39 1HG GLN 39 5.671 10.541 3.182 265 HG3 GLN 39 2HG GLN 39 6.063 11.402 1.695 266 HE21 GLN 39 1HE2 GLN 39 6.228 11.522 4.978 267 HE22 GLN 39 2HE2 GLN 39 6.425 13.224 5.195 268 H GLU 40 H GLU 40 1.769 12.800 4.305 269 HA GLU 40 HA GLU 40 -0.858 12.181 3.969 270 HB2 GLU 40 1HB GLU 40 0.350 14.317 4.951 271 HB3 GLU 40 2HB GLU 40 -0.040 14.992 3.375 272 HG2 GLU 40 1HG GLU 40 -1.860 15.629 4.607 273 HG3 GLU 40 2HG GLU 40 -2.434 14.124 3.893 274 H SER 41 H SER 41 1.202 13.827 1.587 275 HA SER 41 HA SER 41 -0.537 14.432 -0.397 276 HB2 SER 41 1HB SER 41 1.301 13.935 -2.018 277 HB3 SER 41 2HB SER 41 1.828 14.889 -0.631 278 HG SER 41 HG SER 41 3.165 13.351 -0.159 279 H GLY 42 H GLY 42 0.824 11.215 0.233 280 HA2 GLY 42 1HA GLY 42 -1.064 9.489 -0.119 281 HA3 GLY 42 2HA GLY 42 -1.018 10.093 -1.769 282 H TRP 43 H TRP 43 1.971 10.444 -1.483 283 HA TRP 43 HA TRP 43 2.667 7.845 -2.482 284 HB2 TRP 43 1HB TRP 43 4.281 10.351 -1.994 285 HB3 TRP 43 2HB TRP 43 4.976 8.870 -2.648 286 HD1 TRP 43 HD TRP 43 2.236 11.458 -3.548 287 HE1 TRP 43 1HE TRP 43 2.058 11.564 -6.113 288 HE3 TRP 43 3HE TRP 43 5.543 7.747 -4.746 289 HZ2 TRP 43 2HZ TRP 43 3.171 10.248 -8.349 290 HZ3 TRP 43 3HZ TRP 43 5.929 7.233 -7.121 291 HH2 TRP 43 HH TRP 43 4.766 8.458 -8.884 292 H TRP 44 H TRP 44 3.532 6.191 -1.407 293 HA TRP 44 HA TRP 44 4.463 6.673 1.347 294 HB2 TRP 44 1HB TRP 44 3.361 4.108 0.180 295 HB3 TRP 44 2HB TRP 44 3.812 4.383 1.860 296 HD1 TRP 44 HD TRP 44 2.262 7.462 1.376 297 HE1 TRP 44 1HE TRP 44 -0.268 7.444 1.851 298 HE3 TRP 44 3HE TRP 44 1.431 2.421 1.164 299 HZ2 TRP 44 2HZ TRP 44 -2.341 5.545 2.104 300 HZ3 TRP 44 3HZ TRP 44 -0.853 1.586 1.535 301 HH2 TRP 44 HH TRP 44 -2.699 3.117 1.995 302 H TYR 45 H TYR 45 6.373 5.752 2.046 303 HA TYR 45 HA TYR 45 8.276 5.134 -0.041 304 HB2 TYR 45 1HB TYR 45 8.662 6.571 2.092 305 HB3 TYR 45 2HB TYR 45 8.885 5.023 2.899 306 HD1 TYR 45 1HD TYR 45 9.947 6.146 -0.496 307 HD2 TYR 45 2HD TYR 45 11.151 4.863 3.378 308 HE1 TYR 45 1HE TYR 45 12.289 6.098 -1.247 309 HE2 TYR 45 2HE TYR 45 13.497 4.813 2.638 310 HH TYR 45 HH TYR 45 14.434 5.930 -0.577 311 H VAL 46 H VAL 46 8.262 3.133 -0.839 312 HA VAL 46 HA VAL 46 7.913 0.873 1.014 313 HB VAL 46 HB VAL 46 7.654 -0.375 -1.292 314 HG11 VAL 46 1HG1 VAL 46 5.174 0.246 -1.221 315 HG12 VAL 46 2HG1 VAL 46 5.884 -0.441 0.242 316 HG13 VAL 46 3HG1 VAL 46 5.604 1.297 0.127 317 HG21 VAL 46 3HG2 VAL 46 8.228 1.713 -2.567 318 HG22 VAL 46 1HG2 VAL 46 6.721 0.932 -3.049 319 HG23 VAL 46 2HG2 VAL 46 6.682 2.377 -2.039 320 H ARG 47 H ARG 47 9.182 -1.084 0.539 321 HA ARG 47 HA ARG 47 11.822 -0.438 -0.599 322 HB2 ARG 47 1HB ARG 47 11.964 -0.537 1.838 323 HB3 ARG 47 2HB ARG 47 11.220 -2.130 1.833 324 HG2 ARG 47 1HG ARG 47 13.219 -2.813 0.356 325 HG3 ARG 47 2HG ARG 47 13.962 -1.328 0.954 326 HD2 ARG 47 1HD ARG 47 12.790 -3.405 2.785 327 HD3 ARG 47 2HD ARG 47 14.465 -3.463 2.238 328 HE ARG 47 HE ARG 47 13.946 -0.920 3.303 329 HH11 ARG 47 1HH1 ARG 47 14.261 -4.234 4.325 330 HH12 ARG 47 2HH1 ARG 47 14.815 -3.827 5.915 331 HH21 ARG 47 1HH2 ARG 47 14.675 -0.372 5.394 332 HH22 ARG 47 2HH2 ARG 47 15.050 -1.630 6.522 333 H PHE 48 H PHE 48 12.426 -1.713 -2.216 334 HA PHE 48 HA PHE 48 11.109 -4.334 -2.495 335 HB2 PHE 48 1HB PHE 48 10.520 -2.692 -4.263 336 HB3 PHE 48 2HB PHE 48 12.223 -2.581 -4.694 337 HD1 PHE 48 2HD PHE 48 10.005 -5.478 -3.923 338 HD2 PHE 48 1HD PHE 48 12.545 -3.557 -6.747 339 HE1 PHE 48 2HE PHE 48 9.735 -7.383 -5.457 340 HE2 PHE 48 1HE PHE 48 12.279 -5.458 -8.285 341 HZ PHE 48 HZ PHE 48 10.874 -7.375 -7.641 342 H GLY 49 H GLY 49 12.577 -5.672 -1.543 343 HA2 GLY 49 1HA GLY 49 14.422 -7.056 -1.531 344 HA3 GLY 49 2HA GLY 49 14.945 -6.291 -3.024 345 H GLU 50 H GLU 50 16.393 -4.596 -2.961 346 HA GLU 50 HA GLU 50 17.466 -3.926 -0.300 347 HB2 GLU 50 1HB GLU 50 18.885 -4.713 -2.816 348 HB3 GLU 50 2HB GLU 50 19.673 -3.620 -1.687 349 HG2 GLU 50 1HG GLU 50 20.392 -5.850 -1.229 350 HG3 GLU 50 2HG GLU 50 19.364 -5.306 0.096 351 H LEU 51 H LEU 51 15.515 -2.565 -2.117 352 HA LEU 51 HA LEU 51 16.890 0.028 -2.194 353 HB2 LEU 51 1HB LEU 51 15.045 -1.021 -4.335 354 HB3 LEU 51 2HB LEU 51 15.762 0.588 -4.287 355 HG LEU 51 HG LEU 51 17.409 -1.926 -4.460 356 HD11 LEU 51 1HD1 LEU 51 15.885 -1.816 -6.379 357 HD12 LEU 51 2HD1 LEU 51 17.563 -1.549 -6.850 358 HD13 LEU 51 3HD1 LEU 51 16.454 -0.183 -6.728 359 HD21 LEU 51 3HD2 LEU 51 18.070 0.906 -5.245 360 HD22 LEU 51 1HD2 LEU 51 19.168 -0.469 -5.131 361 HD23 LEU 51 2HD2 LEU 51 18.454 0.212 -3.669 362 H GLU 52 H GLU 52 15.376 1.875 -2.228 363 HA GLU 52 HA GLU 52 12.712 1.263 -1.176 364 HB2 GLU 52 1HB GLU 52 14.694 3.124 0.148 365 HB3 GLU 52 2HB GLU 52 13.000 2.978 0.596 366 HG2 GLU 52 1HG GLU 52 13.288 0.939 1.583 367 HG3 GLU 52 2HG GLU 52 14.676 0.525 0.579 368 H GLY 53 H GLY 53 11.331 2.252 -2.485 369 HA2 GLY 53 1HA GLY 53 11.979 4.994 -3.370 370 HA3 GLY 53 2HA GLY 53 11.315 3.808 -4.484 371 H TRP 54 H TRP 54 10.171 6.347 -3.863 372 HA TRP 54 HA TRP 54 7.951 5.877 -2.076 373 HB2 TRP 54 1HB TRP 54 8.621 8.195 -3.899 374 HB3 TRP 54 2HB TRP 54 7.231 8.158 -2.819 375 HD1 TRP 54 HD TRP 54 11.009 8.609 -2.823 376 HE1 TRP 54 1HE TRP 54 11.755 9.426 -0.499 377 HE3 TRP 54 3HE TRP 54 6.594 8.042 -0.307 378 HZ2 TRP 54 2HZ TRP 54 10.622 9.783 2.062 379 HZ3 TRP 54 3HZ TRP 54 6.510 8.644 2.077 380 HH2 TRP 54 HH TRP 54 8.483 9.496 3.235 381 H ALA 55 H ALA 55 6.429 4.503 -2.763 382 HA ALA 55 HA ALA 55 5.484 4.740 -5.543 383 HB1 ALA 55 3HB ALA 55 5.032 2.489 -5.593 384 HB2 ALA 55 1HB ALA 55 6.443 2.520 -4.535 385 HB3 ALA 55 2HB ALA 55 4.826 2.379 -3.845 386 HA PRO 56 HA PRO 56 1.624 6.280 -4.097 387 HB2 PRO 56 1HB PRO 56 0.044 5.531 -6.174 388 HB3 PRO 56 2HB PRO 56 1.206 6.860 -6.280 389 HG2 PRO 56 1HG PRO 56 1.473 4.030 -7.220 390 HG3 PRO 56 2HG PRO 56 1.949 5.530 -8.037 391 HD2 PRO 56 1HD PRO 56 3.725 3.954 -6.737 392 HD3 PRO 56 2HD PRO 56 3.902 5.718 -6.828 393 H SER 57 H SER 57 0.057 5.554 -2.782 394 HA SER 57 HA SER 57 -0.135 2.829 -2.098 395 HB2 SER 57 1HB SER 57 -1.901 3.489 -0.597 396 HB3 SER 57 2HB SER 57 -0.682 4.763 -0.590 397 HG SER 57 HG SER 57 -1.995 6.021 -1.847 398 H HIS 58 H HIS 58 -1.559 4.614 -4.616 399 HA HIS 58 HA HIS 58 -3.998 3.219 -4.920 400 HB2 HIS 58 1HB HIS 58 -2.379 4.514 -7.118 401 HB3 HIS 58 2HB HIS 58 -4.114 4.213 -7.108 402 HD1 HIS 58 1HD HIS 58 -1.515 6.539 -5.772 403 HD2 HIS 58 2HD HIS 58 -5.641 6.061 -5.657 404 HE1 HIS 58 1HE HIS 58 -2.414 8.686 -4.819 405 HE2 HIS 58 2HE HIS 58 -4.905 8.340 -4.680 406 H TYR 59 H TYR 59 -0.722 2.573 -5.971 407 HA TYR 59 HA TYR 59 -1.515 0.376 -7.678 408 HB2 TYR 59 1HB TYR 59 1.150 1.511 -6.846 409 HB3 TYR 59 2HB TYR 59 1.022 0.024 -7.780 410 HD1 TYR 59 1HD TYR 59 -0.523 3.434 -7.902 411 HD2 TYR 59 2HD TYR 59 1.403 0.294 -10.030 412 HE1 TYR 59 1HE TYR 59 -0.669 4.756 -9.971 413 HE2 TYR 59 2HE TYR 59 1.264 1.607 -12.105 414 HH TYR 59 HH TYR 59 -0.697 3.997 -12.640 415 H LEU 60 H LEU 60 -0.330 0.858 -4.429 416 HA LEU 60 HA LEU 60 0.339 -1.880 -3.947 417 HB2 LEU 60 1HB LEU 60 -0.213 0.378 -2.027 418 HB3 LEU 60 2HB LEU 60 0.451 -1.193 -1.582 419 HG LEU 60 HG LEU 60 1.806 0.768 -3.431 420 HD11 LEU 60 1HD1 LEU 60 2.517 1.883 -1.655 421 HD12 LEU 60 2HD1 LEU 60 3.186 0.401 -0.976 422 HD13 LEU 60 3HD1 LEU 60 1.523 0.863 -0.615 423 HD21 LEU 60 3HD2 LEU 60 3.760 -0.801 -2.549 424 HD22 LEU 60 1HD2 LEU 60 2.805 -1.201 -3.977 425 HD23 LEU 60 2HD2 LEU 60 2.429 -1.952 -2.426 426 H VAL 61 H VAL 61 -0.754 -3.268 -2.395 427 HA VAL 61 HA VAL 61 -3.676 -2.951 -2.547 428 HB VAL 61 HB VAL 61 -1.986 -5.438 -2.295 429 HG11 VAL 61 1HG1 VAL 61 -4.007 -6.727 -2.174 430 HG12 VAL 61 2HG1 VAL 61 -4.029 -5.533 -0.875 431 HG13 VAL 61 3HG1 VAL 61 -4.996 -5.275 -2.328 432 HG21 VAL 61 3HG2 VAL 61 -2.514 -5.901 -4.469 433 HG22 VAL 61 1HG2 VAL 61 -4.039 -5.019 -4.402 434 HG23 VAL 61 2HG2 VAL 61 -2.517 -4.139 -4.539 435 H LEU 62 H LEU 62 -4.722 -2.508 -0.730 436 HA LEU 62 HA LEU 62 -3.357 -2.933 1.830 437 HB2 LEU 62 1HB LEU 62 -5.820 -1.298 1.240 438 HB3 LEU 62 2HB LEU 62 -4.925 -1.341 2.758 439 HG LEU 62 HG LEU 62 -2.958 -0.504 1.180 440 HD11 LEU 62 1HD1 LEU 62 -5.073 1.075 -0.113 441 HD12 LEU 62 2HD1 LEU 62 -4.919 -0.589 -0.674 442 HD13 LEU 62 3HD1 LEU 62 -3.532 0.497 -0.748 443 HD21 LEU 62 3HD2 LEU 62 -3.171 1.122 2.675 444 HD22 LEU 62 1HD2 LEU 62 -4.866 0.712 2.942 445 HD23 LEU 62 2HD2 LEU 62 -4.423 1.842 1.662 446 H ASP 63 H ASP 63 -3.777 -4.973 2.482 447 HA ASP 63 HA ASP 63 -4.958 -6.898 2.931 448 HB2 ASP 63 1HB ASP 63 -5.409 -5.088 4.784 449 HB3 ASP 63 2HB ASP 63 -7.049 -5.131 4.142 450 H GLU 64 H GLU 64 -5.670 -5.562 0.371 451 HA GLU 64 HA GLU 64 -8.475 -6.399 0.112 452 HB2 GLU 64 1HB GLU 64 -7.655 -4.058 -0.603 453 HB3 GLU 64 2HB GLU 64 -6.925 -4.884 -1.972 454 HG2 GLU 64 1HG GLU 64 -9.046 -4.013 -2.638 455 HG3 GLU 64 2HG GLU 64 -9.151 -5.771 -2.574 456 H ASN 65 H ASN 65 -6.984 -8.548 0.320 457 HA ASN 65 HA ASN 65 -6.658 -9.506 -2.447 458 HB2 ASN 65 1HB ASN 65 -4.471 -9.279 -1.315 459 HB3 ASN 65 2HB ASN 65 -5.031 -10.360 -0.042 460 HD21 ASN 65 1HD2 ASN 65 -4.275 -12.326 -0.240 461 HD22 ASN 65 2HD2 ASN 65 -3.955 -13.157 -1.721 462 H GLU 66 H GLU 66 -8.107 -11.001 -2.943 463 HA GLU 66 HA GLU 66 -9.572 -12.376 -0.855 464 HB2 GLU 66 1HB GLU 66 -9.845 -12.152 -3.833 465 HB3 GLU 66 2HB GLU 66 -10.708 -13.412 -2.962 466 HG2 GLU 66 1HG GLU 66 -10.941 -10.449 -2.489 467 HG3 GLU 66 2HG GLU 66 -12.117 -11.472 -3.311 468 H GLN 67 H GLN 67 -8.232 -13.876 0.068 469 HA GLN 67 HA GLN 67 -6.297 -15.450 -0.908 470 HB2 GLN 67 1HB GLN 67 -6.754 -17.045 0.790 471 HB3 GLN 67 2HB GLN 67 -7.262 -15.487 1.427 472 HG2 GLN 67 1HG GLN 67 -9.592 -16.212 0.462 473 HG3 GLN 67 2HG GLN 67 -8.899 -17.827 0.605 474 HE21 GLN 67 1HE2 GLN 67 -9.467 -14.854 2.430 475 HE22 GLN 67 2HE2 GLN 67 -9.700 -15.627 3.958 476 HA PRO 68 HA PRO 68 -7.861 -17.982 -4.143 477 HB2 PRO 68 1HB PRO 68 -6.120 -20.058 -3.984 478 HB3 PRO 68 2HB PRO 68 -5.669 -18.474 -4.624 479 HG2 PRO 68 1HG PRO 68 -5.192 -19.622 -1.900 480 HG3 PRO 68 2HG PRO 68 -4.089 -18.691 -2.931 481 HD2 PRO 68 1HD PRO 68 -5.437 -17.579 -0.863 482 HD3 PRO 68 2HD PRO 68 -5.033 -16.675 -2.336 483 H ASP 69 H ASP 69 -9.103 -19.818 -4.527 484 HA ASP 69 HA ASP 69 -10.700 -20.788 -2.494 485 HB2 ASP 69 1HB ASP 69 -11.076 -20.948 -5.009 486 HB3 ASP 69 2HB ASP 69 -10.046 -22.376 -4.975 487 HA PRO 70 HA PRO 70 -8.190 -23.674 -0.306 488 HB2 PRO 70 1HB PRO 70 -10.168 -25.098 0.890 489 HB3 PRO 70 2HB PRO 70 -9.716 -23.467 1.400 490 HG2 PRO 70 1HG PRO 70 -11.984 -24.346 -0.346 491 HG3 PRO 70 2HG PRO 70 -11.975 -23.141 0.955 492 HD2 PRO 70 1HD PRO 70 -11.862 -22.458 -1.663 493 HD3 PRO 70 2HD PRO 70 -11.066 -21.507 -0.392 494 H SER 71 H SER 71 -7.247 -25.555 -0.821 495 HA SER 71 HA SER 71 -8.790 -27.556 -2.320 496 HB2 SER 71 1HB SER 71 -6.192 -26.274 -3.090 497 HB3 SER 71 2HB SER 71 -6.509 -27.943 -3.562 498 HG SER 71 HG SER 71 -7.755 -25.585 -4.387 499 H GLY 72 H GLY 72 -7.809 -29.720 -2.283 500 HA2 GLY 72 1HA GLY 72 -7.104 -30.491 0.335 501 HA3 GLY 72 2HA GLY 72 -7.018 -31.515 -1.091 502 H LYS 73 H LYS 73 -5.176 -31.520 1.085 503 HA LYS 73 HA LYS 73 -2.778 -30.228 0.038 504 HB2 LYS 73 1HB LYS 73 -1.723 -30.883 2.123 505 HB3 LYS 73 2HB LYS 73 -3.261 -30.096 2.457 506 HG2 LYS 73 1HG LYS 73 -3.434 -31.855 3.877 507 HG3 LYS 73 2HG LYS 73 -4.128 -32.596 2.434 508 HD2 LYS 73 1HD LYS 73 -2.612 -34.199 3.142 509 HD3 LYS 73 2HD LYS 73 -1.687 -33.310 1.930 510 HE2 LYS 73 1HE LYS 73 -0.287 -33.652 3.842 511 HE3 LYS 73 2HE LYS 73 -0.715 -31.943 3.769 512 HZ1 LYS 73 3HZ LYS 73 -2.673 -33.000 5.308 513 HZ2 LYS 73 1HZ LYS 73 -1.296 -32.208 5.890 514 HZ3 LYS 73 2HZ LYS 73 -1.321 -33.896 5.787 515 H GLU 74 H GLU 74 -0.979 -31.317 -0.688 516 HA GLU 74 HA GLU 74 -1.397 -33.814 -1.942 517 HB2 GLU 74 1HB GLU 74 0.975 -32.040 -1.514 518 HB3 GLU 74 2HB GLU 74 1.220 -33.669 -2.127 519 HG2 GLU 74 1HG GLU 74 -0.658 -32.946 -3.825 520 HG3 GLU 74 2HG GLU 74 -0.082 -31.332 -3.411 521 H SER 75 H SER 75 -1.979 -35.371 -0.452 522 HA SER 75 HA SER 75 -0.405 -35.888 1.893 523 HB2 SER 75 1HB SER 75 -2.831 -37.071 0.632 524 HB3 SER 75 2HB SER 75 -1.910 -38.091 1.737 525 HG SER 75 HG SER 75 -3.573 -36.037 2.291 526 H GLY 76 H GLY 76 0.788 -37.813 2.328 527 HA2 GLY 76 1HA GLY 76 1.677 -39.287 -0.065 528 HA3 GLY 76 2HA GLY 76 2.860 -38.578 1.025 529 HA PRO 77 HA PRO 77 1.303 -42.915 2.370 530 HB2 PRO 77 1HB PRO 77 3.204 -44.483 1.231 531 HB3 PRO 77 2HB PRO 77 1.673 -44.098 0.436 532 HG2 PRO 77 1HG PRO 77 4.374 -42.866 0.044 533 HG3 PRO 77 2HG PRO 77 3.169 -43.331 -1.171 534 HD2 PRO 77 1HD PRO 77 3.496 -40.772 -0.349 535 HD3 PRO 77 2HD PRO 77 1.921 -41.421 -0.848 536 H SER 78 H SER 78 2.063 -41.927 4.350 537 HA SER 78 HA SER 78 4.721 -41.610 5.099 538 HB2 SER 78 1HB SER 78 2.210 -42.138 6.668 539 HB3 SER 78 2HB SER 78 3.771 -42.012 7.479 540 HG SER 78 HG SER 78 3.985 -39.933 6.466 541 H SER 79 H SER 79 2.592 -44.416 5.602 542 HA SER 79 HA SER 79 4.172 -46.102 7.015 543 HB2 SER 79 1HB SER 79 1.847 -46.524 5.981 544 HB3 SER 79 2HB SER 79 2.728 -47.117 4.573 545 HG SER 79 HG SER 79 3.487 -48.784 5.725 546 H GLY 80 H GLY 80 4.162 -46.063 3.441 547 HA2 GLY 80 1HA GLY 80 6.683 -45.782 2.722 548 HA3 GLY 80 2HA GLY 80 6.777 -47.374 3.460 Start of MODEL 8 1 H1 GLY 1 H GLY 1 14.307 -1.370 23.494 2 HA2 GLY 1 1HA GLY 1 13.672 -3.459 24.624 3 HA3 GLY 1 2HA GLY 1 13.685 -2.134 25.778 4 H SER 2 H SER 2 11.652 -4.180 23.780 5 HA SER 2 HA SER 2 9.423 -4.660 23.835 6 HB2 SER 2 1HB SER 2 10.343 -5.474 26.109 7 HB3 SER 2 2HB SER 2 9.518 -4.070 26.787 8 HG SER 2 HG SER 2 7.657 -5.019 26.487 9 H SER 3 H SER 3 9.912 -2.039 23.093 10 HA SER 3 HA SER 3 7.677 -0.597 24.364 11 HB2 SER 3 1HB SER 3 9.661 0.630 24.852 12 HB3 SER 3 2HB SER 3 10.256 0.459 23.200 13 HG SER 3 HG SER 3 7.797 1.727 23.609 14 H GLY 4 H GLY 4 9.496 -0.884 21.310 15 HA2 GLY 4 1HA GLY 4 7.906 0.433 19.557 16 HA3 GLY 4 2HA GLY 4 8.698 -1.081 19.150 17 H SER 5 H SER 5 5.730 0.491 19.723 18 HA SER 5 HA SER 5 4.150 -1.835 20.242 19 HB2 SER 5 1HB SER 5 2.236 -0.373 19.978 20 HB3 SER 5 2HB SER 5 3.474 0.477 20.902 21 HG SER 5 HG SER 5 4.105 1.429 18.838 22 H SER 6 H SER 6 4.619 0.224 17.376 23 HA SER 6 HA SER 6 3.868 -2.077 15.707 24 HB2 SER 6 1HB SER 6 2.795 0.727 15.589 25 HB3 SER 6 2HB SER 6 2.858 -0.264 14.131 26 HG SER 6 HG SER 6 1.736 -1.887 15.551 27 H GLY 7 H GLY 7 5.169 -2.449 14.000 28 HA2 GLY 7 1HA GLY 7 7.436 -0.617 13.647 29 HA3 GLY 7 2HA GLY 7 7.386 -2.300 13.145 30 H ALA 8 H ALA 8 6.412 -2.858 11.188 31 HA ALA 8 HA ALA 8 5.403 -0.688 9.508 32 HB1 ALA 8 3HB ALA 8 8.026 -1.705 9.266 33 HB2 ALA 8 1HB ALA 8 7.105 -2.299 7.885 34 HB3 ALA 8 2HB ALA 8 7.194 -0.567 8.207 35 H THR 9 H THR 9 4.644 -1.632 7.333 36 HA THR 9 HA THR 9 3.552 -4.337 7.706 37 HB THR 9 HB THR 9 2.009 -1.895 6.817 38 HG1 THR 9 1HG THR 9 0.983 -2.120 8.705 39 HG21 THR 9 3HG2 THR 9 0.299 -4.114 7.047 40 HG22 THR 9 1HG2 THR 9 1.667 -4.650 6.074 41 HG23 THR 9 2HG2 THR 9 0.732 -3.238 5.579 42 H SER 10 H SER 10 3.492 -5.601 5.911 43 HA SER 10 HA SER 10 4.772 -4.511 3.517 44 HB2 SER 10 1HB SER 10 5.328 -6.745 2.931 45 HB3 SER 10 2HB SER 10 5.591 -6.636 4.672 46 HG SER 10 HG SER 10 3.221 -7.400 4.653 47 H TYR 11 H TYR 11 3.797 -4.387 1.565 48 HA TYR 11 HA TYR 11 0.997 -5.295 1.406 49 HB2 TYR 11 1HB TYR 11 2.268 -2.836 0.188 50 HB3 TYR 11 2HB TYR 11 0.633 -3.385 -0.162 51 HD1 TYR 11 2HD TYR 11 2.781 -2.544 2.781 52 HD2 TYR 11 1HD TYR 11 -1.100 -2.450 1.040 53 HE1 TYR 11 2HE TYR 11 1.948 -1.281 4.720 54 HE2 TYR 11 1HE TYR 11 -1.944 -1.185 2.974 55 HH TYR 11 HH TYR 11 -1.465 -0.323 4.961 56 H MET 12 H MET 12 0.264 -5.450 -0.967 57 HA MET 12 HA MET 12 2.378 -6.822 -2.493 58 HB2 MET 12 1HB MET 12 -0.485 -7.472 -1.998 59 HB3 MET 12 2HB MET 12 0.186 -7.888 -3.569 60 HG2 MET 12 1HG MET 12 1.226 -8.792 -0.894 61 HG3 MET 12 2HG MET 12 0.315 -9.765 -2.048 62 HE1 MET 12 3HE MET 12 2.298 -11.604 -3.701 63 HE2 MET 12 1HE MET 12 0.882 -10.589 -3.977 64 HE3 MET 12 2HE MET 12 2.341 -10.347 -4.938 65 H THR 13 H THR 13 2.732 -6.253 -4.571 66 HA THR 13 HA THR 13 1.438 -3.848 -5.534 67 HB THR 13 HB THR 13 3.126 -3.718 -7.180 68 HG1 THR 13 1HG THR 13 4.283 -5.455 -7.881 69 HG21 THR 13 3HG2 THR 13 5.245 -4.460 -5.800 70 HG22 THR 13 1HG2 THR 13 4.054 -4.714 -4.526 71 HG23 THR 13 2HG2 THR 13 4.237 -3.120 -5.257 72 H CYS 14 H CYS 14 -0.320 -3.882 -6.758 73 HA CYS 14 HA CYS 14 -1.048 -6.335 -8.165 74 HB2 CYS 14 1HB CYS 14 -2.718 -5.208 -6.708 75 HB3 CYS 14 2HB CYS 14 -2.656 -3.804 -7.767 76 HG CYS 14 HG CYS 14 -4.699 -6.232 -7.958 77 H SER 15 H SER 15 0.706 -3.662 -8.841 78 HA SER 15 HA SER 15 0.432 -4.042 -11.688 79 HB2 SER 15 1HB SER 15 -0.571 -1.581 -10.318 80 HB3 SER 15 2HB SER 15 0.208 -1.415 -11.891 81 HG SER 15 HG SER 15 -2.091 -2.933 -11.233 82 H ALA 16 H ALA 16 2.132 -3.041 -12.898 83 HA ALA 16 HA ALA 16 4.578 -2.835 -11.382 84 HB1 ALA 16 3HB ALA 16 4.605 -2.224 -14.270 85 HB2 ALA 16 1HB ALA 16 5.654 -3.276 -13.319 86 HB3 ALA 16 2HB ALA 16 4.056 -3.837 -13.815 87 H TYR 17 H TYR 17 5.213 -0.998 -10.479 88 HA TYR 17 HA TYR 17 4.259 1.549 -11.535 89 HB2 TYR 17 1HB TYR 17 3.974 1.510 -9.222 90 HB3 TYR 17 2HB TYR 17 5.502 0.680 -8.947 91 HD1 TYR 17 2HD TYR 17 7.639 1.949 -9.122 92 HD2 TYR 17 1HD TYR 17 3.854 3.885 -9.287 93 HE1 TYR 17 2HE TYR 17 8.726 4.102 -8.640 94 HE2 TYR 17 1HE TYR 17 4.930 6.044 -8.806 95 HH TYR 17 HH TYR 17 8.290 6.497 -8.962 96 H GLN 18 H GLN 18 5.681 3.303 -11.968 97 HA GLN 18 HA GLN 18 8.392 2.441 -12.732 98 HB2 GLN 18 1HB GLN 18 6.894 3.035 -14.626 99 HB3 GLN 18 2HB GLN 18 6.739 4.655 -13.958 100 HG2 GLN 18 1HG GLN 18 8.372 4.428 -15.832 101 HG3 GLN 18 2HG GLN 18 9.023 5.134 -14.354 102 HE21 GLN 18 1HE2 GLN 18 8.529 1.882 -15.698 103 HE22 GLN 18 2HE2 GLN 18 10.112 1.302 -15.321 104 H LYS 19 H LYS 19 10.132 3.675 -12.162 105 HA LYS 19 HA LYS 19 9.721 5.547 -10.001 106 HB2 LYS 19 1HB LYS 19 12.237 5.610 -9.976 107 HB3 LYS 19 2HB LYS 19 11.532 4.018 -9.727 108 HG2 LYS 19 1HG LYS 19 12.134 3.288 -11.865 109 HG3 LYS 19 2HG LYS 19 12.429 4.932 -12.437 110 HD2 LYS 19 1HD LYS 19 14.044 3.708 -10.218 111 HD3 LYS 19 2HD LYS 19 14.468 3.479 -11.916 112 HE2 LYS 19 1HE LYS 19 14.098 6.175 -10.621 113 HE3 LYS 19 2HE LYS 19 15.657 5.366 -10.776 114 HZ1 LYS 19 3HZ LYS 19 14.732 5.262 -13.290 115 HZ2 LYS 19 1HZ LYS 19 15.754 6.475 -12.702 116 HZ3 LYS 19 2HZ LYS 19 14.085 6.737 -12.775 117 H VAL 20 H VAL 20 9.635 7.686 -10.179 118 HA VAL 20 HA VAL 20 10.037 8.924 -12.767 119 HB VAL 20 HB VAL 20 8.105 9.541 -11.343 120 HG11 VAL 20 1HG1 VAL 20 10.101 10.956 -9.588 121 HG12 VAL 20 2HG1 VAL 20 8.358 10.812 -9.349 122 HG13 VAL 20 3HG1 VAL 20 9.391 9.391 -9.189 123 HG21 VAL 20 3HG2 VAL 20 8.150 11.841 -11.862 124 HG22 VAL 20 1HG2 VAL 20 9.906 11.920 -11.711 125 HG23 VAL 20 2HG2 VAL 20 9.175 11.066 -13.071 126 H GLN 21 H GLN 21 11.771 8.536 -9.819 127 HA GLN 21 HA GLN 21 13.981 10.082 -10.914 128 HB2 GLN 21 1HB GLN 21 12.476 10.787 -8.444 129 HB3 GLN 21 2HB GLN 21 14.225 10.969 -8.414 130 HG2 GLN 21 1HG GLN 21 13.823 12.249 -10.661 131 HG3 GLN 21 2HG GLN 21 12.192 12.432 -10.018 132 HE21 GLN 21 1HE2 GLN 21 11.859 14.188 -8.873 133 HE22 GLN 21 2HE2 GLN 21 13.054 15.084 -8.004 134 H ASP 22 H ASP 22 16.022 9.610 -9.909 135 HA ASP 22 HA ASP 22 16.586 6.974 -9.507 136 HB2 ASP 22 1HB ASP 22 18.709 7.629 -8.647 137 HB3 ASP 22 2HB ASP 22 18.233 8.872 -9.800 138 H SER 23 H SER 23 15.491 9.301 -7.117 139 HA SER 23 HA SER 23 15.996 7.835 -4.792 140 HB2 SER 23 1HB SER 23 13.763 9.793 -5.378 141 HB3 SER 23 2HB SER 23 14.194 9.213 -3.769 142 HG SER 23 HG SER 23 15.594 10.935 -5.482 143 H GLU 24 H GLU 24 13.278 7.741 -7.037 144 HA GLU 24 HA GLU 24 11.849 5.798 -5.434 145 HB2 GLU 24 1HB GLU 24 11.300 6.979 -8.160 146 HB3 GLU 24 2HB GLU 24 10.252 5.807 -7.373 147 HG2 GLU 24 1HG GLU 24 9.206 7.732 -6.775 148 HG3 GLU 24 2HG GLU 24 10.313 7.558 -5.415 149 H ILE 25 H ILE 25 11.091 3.751 -6.456 150 HA ILE 25 HA ILE 25 13.040 2.619 -8.338 151 HB ILE 25 HB ILE 25 13.937 1.715 -6.411 152 HG12 ILE 25 1HG1 ILE 25 12.970 -0.015 -8.092 153 HG13 ILE 25 2HG1 ILE 25 13.537 -0.582 -6.525 154 HG21 ILE 25 1HG2 ILE 25 12.099 0.662 -4.724 155 HG22 ILE 25 2HG2 ILE 25 12.780 2.280 -4.569 156 HG23 ILE 25 3HG2 ILE 25 11.217 2.053 -5.354 157 HD11 ILE 25 3HD1 ILE 25 11.537 -1.377 -6.010 158 HD12 ILE 25 1HD1 ILE 25 10.749 0.144 -6.428 159 HD13 ILE 25 2HD1 ILE 25 11.067 -1.058 -7.679 160 H SER 26 H SER 26 12.221 1.183 -9.790 161 HA SER 26 HA SER 26 9.309 0.872 -9.790 162 HB2 SER 26 1HB SER 26 9.472 0.461 -12.141 163 HB3 SER 26 2HB SER 26 10.528 1.830 -11.793 164 HG SER 26 HG SER 26 11.987 0.667 -12.754 165 H PHE 27 H PHE 27 8.349 -1.022 -9.431 166 HA PHE 27 HA PHE 27 10.006 -3.458 -9.489 167 HB2 PHE 27 1HB PHE 27 8.386 -4.269 -7.656 168 HB3 PHE 27 2HB PHE 27 9.631 -3.111 -7.199 169 HD1 PHE 27 1HD PHE 27 6.075 -3.295 -8.274 170 HD2 PHE 27 2HD PHE 27 9.043 -1.176 -6.080 171 HE1 PHE 27 1HE PHE 27 4.341 -1.793 -7.385 172 HE2 PHE 27 2HE PHE 27 7.314 0.329 -5.187 173 HZ PHE 27 HZ PHE 27 4.959 0.021 -5.838 174 HA PRO 28 HA PRO 28 7.038 -5.297 -12.146 175 HB2 PRO 28 1HB PRO 28 7.092 -7.883 -11.322 176 HB3 PRO 28 2HB PRO 28 8.413 -7.136 -12.227 177 HG2 PRO 28 1HG PRO 28 8.166 -7.613 -9.282 178 HG3 PRO 28 2HG PRO 28 9.568 -7.853 -10.340 179 HD2 PRO 28 1HD PRO 28 9.300 -5.679 -8.749 180 HD3 PRO 28 2HD PRO 28 10.126 -5.617 -10.320 181 H ALA 29 H ALA 29 5.006 -6.574 -12.196 182 HA ALA 29 HA ALA 29 3.329 -5.843 -9.925 183 HB1 ALA 29 3HB ALA 29 2.485 -6.992 -12.579 184 HB2 ALA 29 1HB ALA 29 1.456 -6.223 -11.371 185 HB3 ALA 29 2HB ALA 29 2.653 -5.268 -12.248 186 H GLY 30 H GLY 30 3.395 -7.308 -8.320 187 HA2 GLY 30 1HA GLY 30 2.139 -9.443 -7.803 188 HA3 GLY 30 2HA GLY 30 3.146 -10.157 -9.053 189 H VAL 31 H VAL 31 4.282 -7.779 -6.735 190 HA VAL 31 HA VAL 31 5.764 -9.891 -5.321 191 HB VAL 31 HB VAL 31 7.713 -8.305 -5.186 192 HG11 VAL 31 1HG1 VAL 31 7.787 -10.213 -6.661 193 HG12 VAL 31 2HG1 VAL 31 6.901 -9.329 -7.904 194 HG13 VAL 31 3HG1 VAL 31 8.533 -8.829 -7.459 195 HG21 VAL 31 3HG2 VAL 31 5.902 -6.741 -6.929 196 HG22 VAL 31 1HG2 VAL 31 7.099 -6.196 -5.753 197 HG23 VAL 31 2HG2 VAL 31 7.615 -6.740 -7.350 198 H GLU 32 H GLU 32 6.492 -9.293 -3.183 199 HA GLU 32 HA GLU 32 4.616 -7.459 -1.900 200 HB2 GLU 32 1HB GLU 32 5.200 -9.918 -1.163 201 HB3 GLU 32 2HB GLU 32 6.568 -9.140 -0.381 202 HG2 GLU 32 1HG GLU 32 5.170 -7.853 1.012 203 HG3 GLU 32 2HG GLU 32 3.737 -8.251 0.065 204 H VAL 33 H VAL 33 5.243 -5.758 -0.582 205 HA VAL 33 HA VAL 33 8.098 -5.073 -0.537 206 HB VAL 33 HB VAL 33 7.398 -2.653 -0.927 207 HG11 VAL 33 1HG1 VAL 33 7.580 -4.825 -2.931 208 HG12 VAL 33 2HG1 VAL 33 7.049 -3.243 -3.506 209 HG13 VAL 33 3HG1 VAL 33 8.606 -3.412 -2.693 210 HG21 VAL 33 3HG2 VAL 33 5.090 -2.606 -0.725 211 HG22 VAL 33 1HG2 VAL 33 5.316 -2.591 -2.474 212 HG23 VAL 33 2HG2 VAL 33 4.875 -4.089 -1.654 213 H GLN 34 H GLN 34 8.504 -3.185 0.976 214 HA GLN 34 HA GLN 34 6.740 -3.429 3.323 215 HB2 GLN 34 1HB GLN 34 9.096 -4.380 3.490 216 HB3 GLN 34 2HB GLN 34 9.669 -2.720 3.402 217 HG2 GLN 34 1HG GLN 34 9.603 -2.970 5.653 218 HG3 GLN 34 2HG GLN 34 7.958 -2.396 5.383 219 HE21 GLN 34 1HE2 GLN 34 8.943 -3.969 7.578 220 HE22 GLN 34 2HE2 GLN 34 8.061 -5.454 7.567 221 H VAL 35 H VAL 35 5.848 -1.630 4.115 222 HA VAL 35 HA VAL 35 6.493 0.910 2.833 223 HB VAL 35 HB VAL 35 4.219 0.069 4.626 224 HG11 VAL 35 1HG1 VAL 35 4.785 2.795 3.465 225 HG12 VAL 35 2HG1 VAL 35 3.288 2.318 4.270 226 HG13 VAL 35 3HG1 VAL 35 4.803 2.360 5.173 227 HG21 VAL 35 3HG2 VAL 35 4.125 -0.694 2.292 228 HG22 VAL 35 1HG2 VAL 35 2.853 0.472 2.655 229 HG23 VAL 35 2HG2 VAL 35 4.279 0.976 1.748 230 H LEU 36 H LEU 36 8.296 1.743 3.767 231 HA LEU 36 HA LEU 36 8.954 1.577 6.497 232 HB2 LEU 36 1HB LEU 36 9.810 3.623 4.456 233 HB3 LEU 36 2HB LEU 36 10.580 3.350 6.017 234 HG LEU 36 HG LEU 36 10.486 1.394 3.720 235 HD11 LEU 36 1HD1 LEU 36 12.228 3.585 4.312 236 HD12 LEU 36 2HD1 LEU 36 12.268 2.463 2.953 237 HD13 LEU 36 3HD1 LEU 36 13.115 2.066 4.448 238 HD21 LEU 36 3HD2 LEU 36 12.002 0.048 5.076 239 HD22 LEU 36 1HD2 LEU 36 10.455 0.276 5.892 240 HD23 LEU 36 2HD2 LEU 36 11.864 1.209 6.398 241 H GLU 37 H GLU 37 7.574 4.276 4.623 242 HA GLU 37 HA GLU 37 6.161 5.171 7.006 243 HB2 GLU 37 1HB GLU 37 8.372 6.351 6.979 244 HB3 GLU 37 2HB GLU 37 7.917 7.063 5.437 245 HG2 GLU 37 1HG GLU 37 7.517 8.647 7.187 246 HG3 GLU 37 2HG GLU 37 5.972 8.112 6.529 247 H LYS 38 H LYS 38 4.541 6.839 6.517 248 HA LYS 38 HA LYS 38 3.679 6.760 3.701 249 HB2 LYS 38 1HB LYS 38 2.009 6.483 6.200 250 HB3 LYS 38 2HB LYS 38 1.319 6.831 4.621 251 HG2 LYS 38 1HG LYS 38 2.229 4.733 3.759 252 HG3 LYS 38 2HG LYS 38 2.917 4.383 5.347 253 HD2 LYS 38 1HD LYS 38 0.521 4.623 6.225 254 HD3 LYS 38 2HD LYS 38 0.027 4.503 4.535 255 HE2 LYS 38 1HE LYS 38 -0.086 2.318 5.499 256 HE3 LYS 38 2HE LYS 38 1.288 2.357 4.395 257 HZ1 LYS 38 3HZ LYS 38 1.440 2.640 7.348 258 HZ2 LYS 38 1HZ LYS 38 2.756 2.666 6.284 259 HZ3 LYS 38 2HZ LYS 38 1.846 1.253 6.469 260 H GLN 39 H GLN 39 2.963 8.640 2.813 261 HA GLN 39 HA GLN 39 3.149 11.033 4.514 262 HB2 GLN 39 1HB GLN 39 3.590 10.639 1.558 263 HB3 GLN 39 2HB GLN 39 3.436 12.231 2.290 264 HG2 GLN 39 1HG GLN 39 5.449 10.275 3.316 265 HG3 GLN 39 2HG GLN 39 5.783 11.246 1.884 266 HE21 GLN 39 1HE2 GLN 39 5.285 11.269 5.316 267 HE22 GLN 39 2HE2 GLN 39 5.832 12.883 5.593 268 H GLU 40 H GLU 40 1.363 12.154 4.920 269 HA GLU 40 HA GLU 40 -1.185 11.416 4.378 270 HB2 GLU 40 1HB GLU 40 -1.881 13.708 4.839 271 HB3 GLU 40 2HB GLU 40 -0.592 13.222 5.931 272 HG2 GLU 40 1HG GLU 40 0.995 14.378 4.313 273 HG3 GLU 40 2HG GLU 40 -0.448 15.090 3.592 274 H SER 41 H SER 41 0.915 13.327 2.298 275 HA SER 41 HA SER 41 -0.827 14.302 0.426 276 HB2 SER 41 1HB SER 41 1.939 13.146 0.047 277 HB3 SER 41 2HB SER 41 1.061 13.980 -1.235 278 HG SER 41 HG SER 41 2.515 15.046 0.697 279 H GLY 42 H GLY 42 0.771 11.112 0.269 280 HA2 GLY 42 1HA GLY 42 -1.267 9.477 -0.333 281 HA3 GLY 42 2HA GLY 42 -1.007 10.285 -1.871 282 H TRP 43 H TRP 43 1.880 10.508 -1.483 283 HA TRP 43 HA TRP 43 2.589 7.911 -2.499 284 HB2 TRP 43 1HB TRP 43 4.166 10.441 -2.023 285 HB3 TRP 43 2HB TRP 43 4.903 8.960 -2.628 286 HD1 TRP 43 HD TRP 43 2.175 11.510 -3.645 287 HE1 TRP 43 1HE TRP 43 2.034 11.543 -6.215 288 HE3 TRP 43 3HE TRP 43 5.480 7.751 -4.686 289 HZ2 TRP 43 2HZ TRP 43 3.173 10.157 -8.395 290 HZ3 TRP 43 3HZ TRP 43 5.897 7.166 -7.040 291 HH2 TRP 43 HH TRP 43 4.766 8.345 -8.854 292 H TRP 44 H TRP 44 3.497 6.271 -1.431 293 HA TRP 44 HA TRP 44 4.382 6.758 1.337 294 HB2 TRP 44 1HB TRP 44 3.310 4.196 0.133 295 HB3 TRP 44 2HB TRP 44 3.787 4.430 1.813 296 HD1 TRP 44 HD TRP 44 2.187 7.516 1.343 297 HE1 TRP 44 1HE TRP 44 -0.327 7.463 1.895 298 HE3 TRP 44 3HE TRP 44 1.437 2.460 1.232 299 HZ2 TRP 44 2HZ TRP 44 -2.358 5.534 2.239 300 HZ3 TRP 44 3HZ TRP 44 -0.821 1.592 1.684 301 HH2 TRP 44 HH TRP 44 -2.677 3.099 2.177 302 H TYR 45 H TYR 45 6.319 5.926 2.037 303 HA TYR 45 HA TYR 45 8.253 5.342 -0.021 304 HB2 TYR 45 1HB TYR 45 8.596 6.763 2.118 305 HB3 TYR 45 2HB TYR 45 8.803 5.217 2.933 306 HD1 TYR 45 1HD TYR 45 9.957 6.435 -0.405 307 HD2 TYR 45 2HD TYR 45 11.046 4.967 3.437 308 HE1 TYR 45 1HE TYR 45 12.317 6.394 -1.096 309 HE2 TYR 45 2HE TYR 45 13.409 4.923 2.757 310 HH TYR 45 HH TYR 45 14.462 6.251 -0.316 311 H VAL 46 H VAL 46 8.357 3.358 -0.837 312 HA VAL 46 HA VAL 46 7.933 1.058 0.947 313 HB VAL 46 HB VAL 46 7.881 -0.173 -1.361 314 HG11 VAL 46 1HG1 VAL 46 5.666 1.574 -0.303 315 HG12 VAL 46 2HG1 VAL 46 5.435 0.335 -1.538 316 HG13 VAL 46 3HG1 VAL 46 5.978 -0.119 0.078 317 HG21 VAL 46 3HG2 VAL 46 7.102 1.150 -3.207 318 HG22 VAL 46 1HG2 VAL 46 7.069 2.604 -2.209 319 HG23 VAL 46 2HG2 VAL 46 8.610 1.850 -2.618 320 H ARG 47 H ARG 47 9.281 -0.869 0.531 321 HA ARG 47 HA ARG 47 11.987 -0.158 -0.388 322 HB2 ARG 47 1HB ARG 47 12.168 -0.194 1.971 323 HB3 ARG 47 2HB ARG 47 11.160 -1.629 2.105 324 HG2 ARG 47 1HG ARG 47 12.923 -2.965 1.062 325 HG3 ARG 47 2HG ARG 47 13.935 -1.524 0.941 326 HD2 ARG 47 1HD ARG 47 12.825 -2.432 3.574 327 HD3 ARG 47 2HD ARG 47 14.307 -3.127 2.921 328 HE ARG 47 HE ARG 47 14.567 -0.356 2.836 329 HH11 ARG 47 1HH1 ARG 47 14.253 -2.884 5.209 330 HH12 ARG 47 2HH1 ARG 47 15.146 -2.032 6.425 331 HH21 ARG 47 1HH2 ARG 47 15.744 0.775 4.429 332 HH22 ARG 47 2HH2 ARG 47 15.992 0.050 5.981 333 H PHE 48 H PHE 48 12.642 -1.399 -2.004 334 HA PHE 48 HA PHE 48 11.548 -4.128 -2.216 335 HB2 PHE 48 1HB PHE 48 10.751 -2.530 -3.981 336 HB3 PHE 48 2HB PHE 48 12.421 -2.371 -4.516 337 HD1 PHE 48 2HD PHE 48 10.470 -5.363 -3.463 338 HD2 PHE 48 1HD PHE 48 12.564 -3.370 -6.588 339 HE1 PHE 48 2HE PHE 48 10.191 -7.337 -4.905 340 HE2 PHE 48 1HE PHE 48 12.286 -5.340 -8.035 341 HZ PHE 48 HZ PHE 48 11.100 -7.328 -7.194 342 H GLY 49 H GLY 49 13.244 -5.144 -1.160 343 HA2 GLY 49 1HA GLY 49 15.229 -6.315 -1.148 344 HA3 GLY 49 2HA GLY 49 15.540 -5.706 -2.767 345 H GLU 50 H GLU 50 17.501 -4.824 -2.758 346 HA GLU 50 HA GLU 50 18.483 -3.427 -0.410 347 HB2 GLU 50 1HB GLU 50 19.885 -5.010 -1.810 348 HB3 GLU 50 2HB GLU 50 19.886 -3.772 -3.059 349 HG2 GLU 50 1HG GLU 50 21.833 -3.246 -2.036 350 HG3 GLU 50 2HG GLU 50 20.739 -2.269 -1.058 351 H LEU 51 H LEU 51 16.258 -2.289 -1.926 352 HA LEU 51 HA LEU 51 17.385 0.366 -2.308 353 HB2 LEU 51 1HB LEU 51 15.644 -0.908 -4.411 354 HB3 LEU 51 2HB LEU 51 16.330 0.715 -4.447 355 HG LEU 51 HG LEU 51 18.137 -1.667 -4.350 356 HD11 LEU 51 1HD1 LEU 51 16.783 -0.564 -6.805 357 HD12 LEU 51 2HD1 LEU 51 16.640 -2.197 -6.156 358 HD13 LEU 51 3HD1 LEU 51 18.177 -1.645 -6.823 359 HD21 LEU 51 3HD2 LEU 51 19.603 -0.137 -5.606 360 HD22 LEU 51 1HD2 LEU 51 19.122 0.523 -4.043 361 HD23 LEU 51 2HD2 LEU 51 18.353 1.106 -5.520 362 H GLU 52 H GLU 52 15.789 2.056 -2.259 363 HA GLU 52 HA GLU 52 13.122 1.244 -1.352 364 HB2 GLU 52 1HB GLU 52 14.851 3.272 0.076 365 HB3 GLU 52 2HB GLU 52 13.195 2.853 0.492 366 HG2 GLU 52 1HG GLU 52 13.793 0.759 1.299 367 HG3 GLU 52 2HG GLU 52 15.338 0.768 0.451 368 H GLY 53 H GLY 53 11.564 2.349 -2.343 369 HA2 GLY 53 1HA GLY 53 12.169 5.052 -3.344 370 HA3 GLY 53 2HA GLY 53 11.480 3.853 -4.428 371 H TRP 54 H TRP 54 10.171 6.203 -4.087 372 HA TRP 54 HA TRP 54 8.054 5.733 -2.126 373 HB2 TRP 54 1HB TRP 54 8.736 8.111 -3.859 374 HB3 TRP 54 2HB TRP 54 7.283 8.029 -2.866 375 HD1 TRP 54 HD TRP 54 11.069 8.440 -2.609 376 HE1 TRP 54 1HE TRP 54 11.657 9.227 -0.231 377 HE3 TRP 54 3HE TRP 54 6.472 7.941 -0.430 378 HZ2 TRP 54 2HZ TRP 54 10.346 9.588 2.243 379 HZ3 TRP 54 3HZ TRP 54 6.224 8.527 1.947 380 HH2 TRP 54 HH TRP 54 8.122 9.333 3.254 381 H ALA 55 H ALA 55 6.464 4.447 -2.793 382 HA ALA 55 HA ALA 55 5.504 4.728 -5.566 383 HB1 ALA 55 3HB ALA 55 5.167 2.484 -5.725 384 HB2 ALA 55 1HB ALA 55 6.504 2.480 -4.576 385 HB3 ALA 55 2HB ALA 55 4.847 2.295 -4.001 386 HA PRO 56 HA PRO 56 1.634 6.130 -4.014 387 HB2 PRO 56 1HB PRO 56 0.023 5.372 -6.063 388 HB3 PRO 56 2HB PRO 56 1.148 6.730 -6.178 389 HG2 PRO 56 1HG PRO 56 1.461 3.922 -7.166 390 HG3 PRO 56 2HG PRO 56 1.879 5.445 -7.972 391 HD2 PRO 56 1HD PRO 56 3.725 3.894 -6.739 392 HD3 PRO 56 2HD PRO 56 3.857 5.663 -6.809 393 H SER 57 H SER 57 -0.021 5.378 -2.790 394 HA SER 57 HA SER 57 -0.082 2.646 -2.061 395 HB2 SER 57 1HB SER 57 -1.881 3.244 -0.580 396 HB3 SER 57 2HB SER 57 -0.724 4.575 -0.578 397 HG SER 57 HG SER 57 -2.445 5.714 -1.014 398 H HIS 58 H HIS 58 -1.316 4.174 -4.744 399 HA HIS 58 HA HIS 58 -3.788 2.776 -5.037 400 HB2 HIS 58 1HB HIS 58 -2.087 4.084 -7.170 401 HB3 HIS 58 2HB HIS 58 -3.784 3.638 -7.317 402 HD1 HIS 58 1HD HIS 58 -1.596 6.372 -6.307 403 HD2 HIS 58 2HD HIS 58 -5.521 5.219 -5.583 404 HE1 HIS 58 1HE HIS 58 -2.739 8.415 -5.389 405 HE2 HIS 58 2HE HIS 58 -5.090 7.670 -4.878 406 H TYR 59 H TYR 59 -0.464 2.167 -5.965 407 HA TYR 59 HA TYR 59 -1.113 -0.072 -7.651 408 HB2 TYR 59 1HB TYR 59 1.479 1.033 -6.579 409 HB3 TYR 59 2HB TYR 59 1.411 -0.444 -7.535 410 HD1 TYR 59 1HD TYR 59 -0.240 2.902 -7.825 411 HD2 TYR 59 2HD TYR 59 2.173 -0.073 -9.676 412 HE1 TYR 59 1HE TYR 59 -0.180 4.242 -9.887 413 HE2 TYR 59 2HE TYR 59 2.240 1.258 -11.743 414 HH TYR 59 HH TYR 59 0.401 3.255 -12.705 415 H LEU 60 H LEU 60 -0.437 0.447 -4.300 416 HA LEU 60 HA LEU 60 0.111 -2.357 -3.777 417 HB2 LEU 60 1HB LEU 60 -0.260 -0.087 -1.830 418 HB3 LEU 60 2HB LEU 60 0.397 -1.683 -1.473 419 HG LEU 60 HG LEU 60 1.757 0.113 -3.447 420 HD11 LEU 60 1HD1 LEU 60 2.780 0.163 -0.699 421 HD12 LEU 60 2HD1 LEU 60 1.255 1.014 -0.939 422 HD13 LEU 60 3HD1 LEU 60 2.668 1.453 -1.897 423 HD21 LEU 60 3HD2 LEU 60 3.497 -1.375 -1.778 424 HD22 LEU 60 1HD2 LEU 60 3.194 -1.574 -3.504 425 HD23 LEU 60 2HD2 LEU 60 2.220 -2.461 -2.330 426 H VAL 61 H VAL 61 -1.181 -3.681 -2.433 427 HA VAL 61 HA VAL 61 -4.032 -2.977 -2.521 428 HB VAL 61 HB VAL 61 -4.358 -5.456 -2.072 429 HG11 VAL 61 1HG1 VAL 61 -4.425 -5.909 -4.321 430 HG12 VAL 61 2HG1 VAL 61 -4.328 -4.147 -4.348 431 HG13 VAL 61 3HG1 VAL 61 -2.883 -5.116 -4.639 432 HG21 VAL 61 3HG2 VAL 61 -1.612 -5.382 -1.648 433 HG22 VAL 61 1HG2 VAL 61 -2.622 -6.822 -1.780 434 HG23 VAL 61 2HG2 VAL 61 -1.798 -6.189 -3.205 435 H LEU 62 H LEU 62 -5.157 -2.648 -0.709 436 HA LEU 62 HA LEU 62 -3.791 -3.038 1.851 437 HB2 LEU 62 1HB LEU 62 -6.253 -1.450 1.141 438 HB3 LEU 62 2HB LEU 62 -5.556 -1.563 2.757 439 HG LEU 62 HG LEU 62 -3.427 -0.592 1.634 440 HD11 LEU 62 1HD1 LEU 62 -3.546 -0.065 -0.513 441 HD12 LEU 62 2HD1 LEU 62 -4.886 1.030 -0.174 442 HD13 LEU 62 3HD1 LEU 62 -5.206 -0.657 -0.576 443 HD21 LEU 62 3HD2 LEU 62 -4.266 1.692 2.013 444 HD22 LEU 62 1HD2 LEU 62 -4.719 0.585 3.308 445 HD23 LEU 62 2HD2 LEU 62 -5.910 1.058 2.096 446 H ASP 63 H ASP 63 -4.229 -4.821 2.949 447 HA ASP 63 HA ASP 63 -6.886 -6.053 2.644 448 HB2 ASP 63 1HB ASP 63 -4.153 -7.175 3.000 449 HB3 ASP 63 2HB ASP 63 -5.487 -8.039 3.758 450 H GLU 64 H GLU 64 -7.841 -4.703 4.232 451 HA GLU 64 HA GLU 64 -7.026 -5.366 6.986 452 HB2 GLU 64 1HB GLU 64 -7.786 -2.768 5.749 453 HB3 GLU 64 2HB GLU 64 -8.317 -3.068 7.398 454 HG2 GLU 64 1HG GLU 64 -5.460 -3.492 6.647 455 HG3 GLU 64 2HG GLU 64 -6.065 -1.867 6.965 456 H ASN 65 H ASN 65 -8.788 -6.975 5.571 457 HA ASN 65 HA ASN 65 -11.502 -6.234 6.203 458 HB2 ASN 65 1HB ASN 65 -10.403 -8.886 5.243 459 HB3 ASN 65 2HB ASN 65 -12.098 -8.410 5.264 460 HD21 ASN 65 1HD2 ASN 65 -9.671 -8.903 3.256 461 HD22 ASN 65 2HD2 ASN 65 -10.004 -7.728 2.034 462 H GLU 66 H GLU 66 -9.215 -8.720 7.326 463 HA GLU 66 HA GLU 66 -10.975 -9.314 9.581 464 HB2 GLU 66 1HB GLU 66 -9.928 -11.148 8.210 465 HB3 GLU 66 2HB GLU 66 -8.368 -10.650 8.850 466 HG2 GLU 66 1HG GLU 66 -9.039 -11.206 11.082 467 HG3 GLU 66 2HG GLU 66 -10.686 -11.539 10.548 468 H GLN 67 H GLN 67 -10.424 -8.988 11.705 469 HA GLN 67 HA GLN 67 -9.078 -6.798 12.517 470 HB2 GLN 67 1HB GLN 67 -8.781 -7.902 14.728 471 HB3 GLN 67 2HB GLN 67 -10.403 -8.076 14.070 472 HG2 GLN 67 1HG GLN 67 -9.856 -10.169 14.963 473 HG3 GLN 67 2HG GLN 67 -9.672 -10.339 13.218 474 HE21 GLN 67 1HE2 GLN 67 -7.570 -9.000 15.740 475 HE22 GLN 67 2HE2 GLN 67 -6.213 -10.010 15.387 476 HA PRO 68 HA PRO 68 -4.774 -7.376 11.831 477 HB2 PRO 68 1HB PRO 68 -3.788 -5.682 13.710 478 HB3 PRO 68 2HB PRO 68 -4.558 -5.122 12.221 479 HG2 PRO 68 1HG PRO 68 -5.706 -5.355 14.975 480 HG3 PRO 68 2HG PRO 68 -5.887 -4.044 13.795 481 HD2 PRO 68 1HD PRO 68 -7.796 -5.924 14.188 482 HD3 PRO 68 2HD PRO 68 -7.511 -5.168 12.607 483 H ASP 69 H ASP 69 -3.490 -8.999 12.419 484 HA ASP 69 HA ASP 69 -3.814 -10.293 14.970 485 HB2 ASP 69 1HB ASP 69 -3.350 -11.426 12.708 486 HB3 ASP 69 2HB ASP 69 -1.676 -10.930 12.946 487 HA PRO 70 HA PRO 70 -0.655 -8.124 17.145 488 HB2 PRO 70 1HB PRO 70 -0.200 -9.943 19.109 489 HB3 PRO 70 2HB PRO 70 -1.643 -8.923 19.059 490 HG2 PRO 70 1HG PRO 70 -1.305 -11.772 18.202 491 HG3 PRO 70 2HG PRO 70 -2.634 -11.027 19.110 492 HD2 PRO 70 1HD PRO 70 -2.795 -11.551 16.458 493 HD3 PRO 70 2HD PRO 70 -3.618 -10.170 17.210 494 H SER 71 H SER 71 1.044 -8.145 15.642 495 HA SER 71 HA SER 71 3.200 -9.953 16.305 496 HB2 SER 71 1HB SER 71 1.829 -10.000 13.630 497 HB3 SER 71 2HB SER 71 3.542 -10.400 13.766 498 HG SER 71 HG SER 71 1.467 -11.964 14.246 499 H GLY 72 H GLY 72 5.247 -9.207 15.619 500 HA2 GLY 72 1HA GLY 72 6.462 -7.596 14.167 501 HA3 GLY 72 2HA GLY 72 5.223 -6.430 14.606 502 H LYS 73 H LYS 73 5.429 -5.270 16.455 503 HA LYS 73 HA LYS 73 6.658 -4.183 18.061 504 HB2 LYS 73 1HB LYS 73 7.117 -5.613 20.030 505 HB3 LYS 73 2HB LYS 73 5.497 -5.844 19.385 506 HG2 LYS 73 1HG LYS 73 6.140 -7.907 18.348 507 HG3 LYS 73 2HG LYS 73 7.830 -7.650 18.788 508 HD2 LYS 73 1HD LYS 73 7.473 -8.164 20.997 509 HD3 LYS 73 2HD LYS 73 5.778 -7.675 20.948 510 HE2 LYS 73 1HE LYS 73 5.191 -9.665 19.725 511 HE3 LYS 73 2HE LYS 73 6.887 -10.125 19.584 512 HZ1 LYS 73 3HZ LYS 73 5.172 -10.140 21.988 513 HZ2 LYS 73 1HZ LYS 73 6.859 -10.120 22.119 514 HZ3 LYS 73 2HZ LYS 73 6.087 -11.403 21.333 515 H GLU 74 H GLU 74 8.253 -4.634 15.848 516 HA GLU 74 HA GLU 74 10.834 -5.441 17.014 517 HB2 GLU 74 1HB GLU 74 11.612 -5.915 14.798 518 HB3 GLU 74 2HB GLU 74 10.055 -6.705 15.002 519 HG2 GLU 74 1HG GLU 74 8.980 -5.266 13.564 520 HG3 GLU 74 2HG GLU 74 10.178 -3.990 13.777 521 H SER 75 H SER 75 12.708 -4.175 16.490 522 HA SER 75 HA SER 75 12.492 -1.483 16.971 523 HB2 SER 75 1HB SER 75 14.659 -2.943 15.444 524 HB3 SER 75 2HB SER 75 14.805 -1.288 16.034 525 HG SER 75 HG SER 75 15.113 -2.015 17.989 526 H GLY 76 H GLY 76 12.908 0.387 15.606 527 HA2 GLY 76 1HA GLY 76 13.066 0.694 12.958 528 HA3 GLY 76 2HA GLY 76 11.388 0.201 13.133 529 HA PRO 77 HA PRO 77 12.000 4.524 15.286 530 HB2 PRO 77 1HB PRO 77 14.123 5.939 14.358 531 HB3 PRO 77 2HB PRO 77 14.219 4.879 15.769 532 HG2 PRO 77 1HG PRO 77 15.053 4.351 12.943 533 HG3 PRO 77 2HG PRO 77 15.896 3.952 14.451 534 HD2 PRO 77 1HD PRO 77 14.464 2.126 13.055 535 HD3 PRO 77 2HD PRO 77 14.605 2.080 14.824 536 H SER 78 H SER 78 12.206 6.894 14.229 537 HA SER 78 HA SER 78 11.778 7.049 11.415 538 HB2 SER 78 1HB SER 78 9.621 6.097 11.917 539 HB3 SER 78 2HB SER 78 9.370 7.239 13.236 540 HG SER 78 HG SER 78 8.695 8.656 11.844 541 H SER 79 H SER 79 11.436 9.223 10.681 542 HA SER 79 HA SER 79 11.980 11.436 10.695 543 HB2 SER 79 1HB SER 79 10.412 11.130 13.247 544 HB3 SER 79 2HB SER 79 11.051 12.697 12.752 545 HG SER 79 HG SER 79 8.976 11.208 11.690 546 H GLY 80 H GLY 80 14.082 9.787 11.454 547 HA2 GLY 80 1HA GLY 80 15.327 10.675 13.866 548 HA3 GLY 80 2HA GLY 80 16.093 9.758 12.577 Start of MODEL 9 1 H1 GLY 1 H GLY 1 18.630 -9.664 22.701 2 HA2 GLY 1 1HA GLY 1 20.770 -9.359 20.707 3 HA3 GLY 1 2HA GLY 1 19.388 -10.378 20.331 4 H SER 2 H SER 2 20.633 -7.465 19.721 5 HA SER 2 HA SER 2 18.099 -6.001 19.824 6 HB2 SER 2 1HB SER 2 20.931 -5.108 19.255 7 HB3 SER 2 2HB SER 2 19.530 -4.046 19.117 8 HG SER 2 HG SER 2 19.164 -4.922 21.418 9 H SER 3 H SER 3 16.822 -6.014 18.109 10 HA SER 3 HA SER 3 17.998 -6.561 15.469 11 HB2 SER 3 1HB SER 3 16.265 -8.157 16.301 12 HB3 SER 3 2HB SER 3 15.103 -6.831 16.314 13 HG SER 3 HG SER 3 15.499 -8.362 14.333 14 H GLY 4 H GLY 4 15.613 -4.518 17.127 15 HA2 GLY 4 1HA GLY 4 15.988 -2.080 16.422 16 HA3 GLY 4 2HA GLY 4 15.656 -2.697 14.811 17 H SER 5 H SER 5 14.046 -0.790 15.328 18 HA SER 5 HA SER 5 11.715 -1.600 16.826 19 HB2 SER 5 1HB SER 5 12.410 0.758 16.797 20 HB3 SER 5 2HB SER 5 12.163 0.814 15.051 21 HG SER 5 HG SER 5 9.918 -0.002 15.787 22 H SER 6 H SER 6 11.027 -3.468 15.733 23 HA SER 6 HA SER 6 10.401 -3.392 12.927 24 HB2 SER 6 1HB SER 6 9.654 -5.450 15.020 25 HB3 SER 6 2HB SER 6 9.533 -5.658 13.273 26 HG SER 6 HG SER 6 12.008 -4.905 14.305 27 H GLY 7 H GLY 7 8.931 -1.664 12.745 28 HA2 GLY 7 1HA GLY 7 6.206 -2.376 13.601 29 HA3 GLY 7 2HA GLY 7 6.818 -0.760 13.918 30 H ALA 8 H ALA 8 6.772 -2.993 11.135 31 HA ALA 8 HA ALA 8 5.616 -0.807 9.536 32 HB1 ALA 8 3HB ALA 8 7.355 -0.786 8.160 33 HB2 ALA 8 1HB ALA 8 8.177 -1.934 9.217 34 HB3 ALA 8 2HB ALA 8 7.191 -2.519 7.876 35 H THR 9 H THR 9 4.819 -1.768 7.341 36 HA THR 9 HA THR 9 3.592 -4.401 7.761 37 HB THR 9 HB THR 9 2.102 -1.907 6.924 38 HG1 THR 9 1HG THR 9 2.455 -2.339 9.228 39 HG21 THR 9 3HG2 THR 9 0.523 -4.311 7.353 40 HG22 THR 9 1HG2 THR 9 1.653 -4.481 6.011 41 HG23 THR 9 2HG2 THR 9 0.484 -3.160 6.018 42 H SER 10 H SER 10 3.897 -5.678 6.064 43 HA SER 10 HA SER 10 4.926 -4.572 3.594 44 HB2 SER 10 1HB SER 10 5.817 -6.677 4.699 45 HB3 SER 10 2HB SER 10 4.332 -7.476 4.183 46 HG SER 10 HG SER 10 4.922 -7.253 2.094 47 H TYR 11 H TYR 11 3.906 -4.497 1.654 48 HA TYR 11 HA TYR 11 1.103 -5.405 1.586 49 HB2 TYR 11 1HB TYR 11 2.338 -2.942 0.345 50 HB3 TYR 11 2HB TYR 11 0.710 -3.509 -0.011 51 HD1 TYR 11 2HD TYR 11 2.800 -2.780 3.008 52 HD2 TYR 11 1HD TYR 11 -0.999 -2.462 1.118 53 HE1 TYR 11 2HE TYR 11 1.947 -1.529 4.946 54 HE2 TYR 11 1HE TYR 11 -1.862 -1.209 3.050 55 HH TYR 11 HH TYR 11 -1.403 -0.840 5.360 56 H MET 12 H MET 12 0.353 -5.398 -0.861 57 HA MET 12 HA MET 12 2.405 -6.858 -2.392 58 HB2 MET 12 1HB MET 12 -0.458 -7.462 -1.853 59 HB3 MET 12 2HB MET 12 0.171 -7.871 -3.444 60 HG2 MET 12 1HG MET 12 2.090 -8.987 -2.050 61 HG3 MET 12 2HG MET 12 0.867 -8.994 -0.782 62 HE1 MET 12 3HE MET 12 2.228 -10.432 -3.953 63 HE2 MET 12 1HE MET 12 0.982 -11.505 -4.592 64 HE3 MET 12 2HE MET 12 0.823 -9.758 -4.781 65 H THR 13 H THR 13 2.713 -6.320 -4.493 66 HA THR 13 HA THR 13 1.477 -3.868 -5.418 67 HB THR 13 HB THR 13 3.064 -4.017 -7.303 68 HG1 THR 13 1HG THR 13 4.102 -5.825 -7.701 69 HG21 THR 13 3HG2 THR 13 3.641 -3.155 -4.918 70 HG22 THR 13 1HG2 THR 13 4.941 -3.399 -6.084 71 HG23 THR 13 2HG2 THR 13 4.646 -4.601 -4.827 72 H CYS 14 H CYS 14 -0.115 -3.716 -6.867 73 HA CYS 14 HA CYS 14 -1.159 -6.177 -8.038 74 HB2 CYS 14 1HB CYS 14 -2.559 -4.377 -6.793 75 HB3 CYS 14 2HB CYS 14 -2.444 -3.473 -8.298 76 HG CYS 14 HG CYS 14 -4.007 -5.019 -9.782 77 H SER 15 H SER 15 0.819 -3.596 -8.898 78 HA SER 15 HA SER 15 0.870 -4.445 -11.653 79 HB2 SER 15 1HB SER 15 -0.984 -2.607 -11.299 80 HB3 SER 15 2HB SER 15 0.397 -1.510 -11.286 81 HG SER 15 HG SER 15 -0.707 -2.092 -13.391 82 H ALA 16 H ALA 16 2.525 -3.113 -12.906 83 HA ALA 16 HA ALA 16 4.898 -2.908 -11.264 84 HB1 ALA 16 3HB ALA 16 5.658 -2.182 -13.799 85 HB2 ALA 16 1HB ALA 16 5.687 -3.819 -13.144 86 HB3 ALA 16 2HB ALA 16 4.305 -3.273 -14.094 87 H TYR 17 H TYR 17 5.798 -1.089 -10.537 88 HA TYR 17 HA TYR 17 4.631 1.464 -11.397 89 HB2 TYR 17 1HB TYR 17 4.431 1.282 -9.064 90 HB3 TYR 17 2HB TYR 17 6.036 0.581 -8.888 91 HD1 TYR 17 2HD TYR 17 8.025 2.002 -8.929 92 HD2 TYR 17 1HD TYR 17 4.124 3.674 -9.232 93 HE1 TYR 17 2HE TYR 17 8.945 4.226 -8.425 94 HE2 TYR 17 1HE TYR 17 5.034 5.903 -8.730 95 HH TYR 17 HH TYR 17 7.751 6.507 -7.328 96 H GLN 18 H GLN 18 5.864 3.119 -12.184 97 HA GLN 18 HA GLN 18 8.631 2.426 -12.891 98 HB2 GLN 18 1HB GLN 18 6.935 2.942 -14.709 99 HB3 GLN 18 2HB GLN 18 6.946 4.601 -14.126 100 HG2 GLN 18 1HG GLN 18 9.552 4.316 -14.443 101 HG3 GLN 18 2HG GLN 18 9.029 3.089 -15.596 102 HE21 GLN 18 1HE2 GLN 18 9.944 6.184 -15.359 103 HE22 GLN 18 2HE2 GLN 18 9.101 6.864 -16.704 104 H LYS 19 H LYS 19 10.279 3.533 -12.057 105 HA LYS 19 HA LYS 19 9.727 5.685 -10.197 106 HB2 LYS 19 1HB LYS 19 12.113 5.522 -9.640 107 HB3 LYS 19 2HB LYS 19 11.325 3.951 -9.567 108 HG2 LYS 19 1HG LYS 19 13.208 3.365 -10.686 109 HG3 LYS 19 2HG LYS 19 12.194 3.806 -12.062 110 HD2 LYS 19 1HD LYS 19 14.147 4.948 -12.528 111 HD3 LYS 19 2HD LYS 19 13.203 6.181 -11.688 112 HE2 LYS 19 1HE LYS 19 15.195 6.377 -10.581 113 HE3 LYS 19 2HE LYS 19 14.398 5.173 -9.570 114 HZ1 LYS 19 3HZ LYS 19 16.497 4.296 -9.937 115 HZ2 LYS 19 1HZ LYS 19 16.543 4.780 -11.558 116 HZ3 LYS 19 2HZ LYS 19 15.554 3.492 -11.088 117 H VAL 20 H VAL 20 10.335 7.799 -10.404 118 HA VAL 20 HA VAL 20 11.176 8.629 -13.094 119 HB VAL 20 HB VAL 20 9.055 9.577 -12.351 120 HG11 VAL 20 1HG1 VAL 20 10.633 10.810 -10.095 121 HG12 VAL 20 2HG1 VAL 20 8.925 11.082 -10.446 122 HG13 VAL 20 3HG1 VAL 20 9.479 9.487 -9.934 123 HG21 VAL 20 3HG2 VAL 20 10.818 11.940 -12.145 124 HG22 VAL 20 1HG2 VAL 20 11.042 10.909 -13.558 125 HG23 VAL 20 2HG2 VAL 20 9.464 11.625 -13.230 126 H GLN 21 H GLN 21 11.894 9.039 -9.666 127 HA GLN 21 HA GLN 21 14.352 10.483 -10.395 128 HB2 GLN 21 1HB GLN 21 12.648 10.505 -7.922 129 HB3 GLN 21 2HB GLN 21 14.328 11.024 -7.860 130 HG2 GLN 21 1HG GLN 21 12.023 12.267 -9.299 131 HG3 GLN 21 2HG GLN 21 13.153 12.997 -8.160 132 HE21 GLN 21 1HE2 GLN 21 12.289 13.516 -11.044 133 HE22 GLN 21 2HE2 GLN 21 13.785 13.737 -11.880 134 H ASP 22 H ASP 22 16.296 9.982 -9.184 135 HA ASP 22 HA ASP 22 16.943 7.283 -9.176 136 HB2 ASP 22 1HB ASP 22 18.295 9.419 -7.516 137 HB3 ASP 22 2HB ASP 22 19.007 7.912 -8.085 138 H SER 23 H SER 23 15.489 9.236 -6.700 139 HA SER 23 HA SER 23 16.038 7.553 -4.488 140 HB2 SER 23 1HB SER 23 13.910 9.636 -4.987 141 HB3 SER 23 2HB SER 23 14.049 8.767 -3.459 142 HG SER 23 HG SER 23 16.411 9.551 -3.749 143 H GLU 24 H GLU 24 13.145 7.897 -6.537 144 HA GLU 24 HA GLU 24 11.689 5.811 -5.318 145 HB2 GLU 24 1HB GLU 24 11.477 7.057 -8.060 146 HB3 GLU 24 2HB GLU 24 10.337 5.868 -7.446 147 HG2 GLU 24 1HG GLU 24 9.253 7.824 -6.966 148 HG3 GLU 24 2HG GLU 24 10.103 7.521 -5.452 149 H ILE 25 H ILE 25 11.047 3.772 -6.387 150 HA ILE 25 HA ILE 25 13.117 2.641 -8.128 151 HB ILE 25 HB ILE 25 13.931 1.766 -6.153 152 HG12 ILE 25 1HG1 ILE 25 13.043 0.010 -7.862 153 HG13 ILE 25 2HG1 ILE 25 13.579 -0.532 -6.275 154 HG21 ILE 25 1HG2 ILE 25 12.690 2.322 -4.366 155 HG22 ILE 25 2HG2 ILE 25 11.169 2.105 -5.229 156 HG23 ILE 25 3HG2 ILE 25 12.006 0.708 -4.554 157 HD11 ILE 25 3HD1 ILE 25 11.173 -1.109 -7.476 158 HD12 ILE 25 1HD1 ILE 25 11.569 -1.324 -5.771 159 HD13 ILE 25 2HD1 ILE 25 10.763 0.150 -6.311 160 H SER 26 H SER 26 12.391 1.180 -9.604 161 HA SER 26 HA SER 26 9.494 0.884 -9.803 162 HB2 SER 26 1HB SER 26 9.985 0.067 -12.105 163 HB3 SER 26 2HB SER 26 10.628 1.680 -11.798 164 HG SER 26 HG SER 26 12.278 -0.519 -11.298 165 H PHE 27 H PHE 27 8.431 -1.001 -9.593 166 HA PHE 27 HA PHE 27 10.015 -3.464 -9.311 167 HB2 PHE 27 1HB PHE 27 8.249 -4.121 -7.551 168 HB3 PHE 27 2HB PHE 27 9.502 -2.980 -7.073 169 HD1 PHE 27 1HD PHE 27 6.006 -3.148 -8.317 170 HD2 PHE 27 2HD PHE 27 8.926 -0.927 -6.159 171 HE1 PHE 27 1HE PHE 27 4.272 -1.544 -7.629 172 HE2 PHE 27 2HE PHE 27 7.197 0.680 -5.467 173 HZ PHE 27 HZ PHE 27 4.866 0.373 -6.201 174 HA PRO 28 HA PRO 28 7.181 -5.261 -12.145 175 HB2 PRO 28 1HB PRO 28 7.308 -7.862 -11.379 176 HB3 PRO 28 2HB PRO 28 8.620 -7.050 -12.241 177 HG2 PRO 28 1HG PRO 28 8.335 -7.603 -9.313 178 HG3 PRO 28 2HG PRO 28 9.764 -7.772 -10.350 179 HD2 PRO 28 1HD PRO 28 9.393 -5.645 -8.716 180 HD3 PRO 28 2HD PRO 28 10.244 -5.519 -10.269 181 H ALA 29 H ALA 29 5.225 -6.705 -12.233 182 HA ALA 29 HA ALA 29 3.460 -6.030 -10.007 183 HB1 ALA 29 3HB ALA 29 1.639 -6.602 -11.514 184 HB2 ALA 29 1HB ALA 29 2.744 -5.461 -12.279 185 HB3 ALA 29 2HB ALA 29 2.795 -7.168 -12.720 186 H GLY 30 H GLY 30 3.470 -7.476 -8.397 187 HA2 GLY 30 1HA GLY 30 2.323 -9.687 -7.941 188 HA3 GLY 30 2HA GLY 30 3.457 -10.341 -9.113 189 H VAL 31 H VAL 31 4.525 -7.842 -6.974 190 HA VAL 31 HA VAL 31 5.849 -9.834 -5.260 191 HB VAL 31 HB VAL 31 7.892 -8.449 -5.247 192 HG11 VAL 31 1HG1 VAL 31 8.570 -8.955 -7.645 193 HG12 VAL 31 2HG1 VAL 31 7.974 -10.312 -6.687 194 HG13 VAL 31 3HG1 VAL 31 6.923 -9.540 -7.876 195 HG21 VAL 31 3HG2 VAL 31 8.156 -6.756 -7.071 196 HG22 VAL 31 1HG2 VAL 31 6.418 -6.874 -7.352 197 HG23 VAL 31 2HG2 VAL 31 7.023 -6.292 -5.801 198 H GLU 32 H GLU 32 6.070 -9.292 -3.124 199 HA GLU 32 HA GLU 32 4.358 -7.210 -2.145 200 HB2 GLU 32 1HB GLU 32 4.552 -8.210 -0.093 201 HB3 GLU 32 2HB GLU 32 4.983 -9.569 -1.121 202 HG2 GLU 32 1HG GLU 32 6.983 -7.722 0.156 203 HG3 GLU 32 2HG GLU 32 6.458 -9.254 0.853 204 H VAL 33 H VAL 33 5.180 -5.739 -0.354 205 HA VAL 33 HA VAL 33 7.932 -4.860 -0.664 206 HB VAL 33 HB VAL 33 7.182 -2.471 -1.015 207 HG11 VAL 33 1HG1 VAL 33 6.890 -2.761 -3.466 208 HG12 VAL 33 2HG1 VAL 33 8.238 -3.684 -2.800 209 HG13 VAL 33 3HG1 VAL 33 6.725 -4.496 -3.201 210 HG21 VAL 33 3HG2 VAL 33 4.910 -2.422 -0.551 211 HG22 VAL 33 1HG2 VAL 33 4.941 -2.397 -2.315 212 HG23 VAL 33 2HG2 VAL 33 4.589 -3.899 -1.460 213 H GLN 34 H GLN 34 8.610 -3.381 0.978 214 HA GLN 34 HA GLN 34 6.949 -3.562 3.389 215 HB2 GLN 34 1HB GLN 34 9.299 -4.472 3.396 216 HB3 GLN 34 2HB GLN 34 9.870 -2.818 3.211 217 HG2 GLN 34 1HG GLN 34 10.019 -3.026 5.465 218 HG3 GLN 34 2HG GLN 34 8.369 -2.419 5.334 219 HE21 GLN 34 1HE2 GLN 34 6.797 -3.563 6.233 220 HE22 GLN 34 2HE2 GLN 34 6.940 -5.181 6.822 221 H VAL 35 H VAL 35 5.826 -1.830 3.949 222 HA VAL 35 HA VAL 35 6.450 0.767 2.835 223 HB VAL 35 HB VAL 35 4.235 -0.093 4.701 224 HG11 VAL 35 1HG1 VAL 35 3.844 2.359 3.181 225 HG12 VAL 35 2HG1 VAL 35 3.564 2.029 4.891 226 HG13 VAL 35 3HG1 VAL 35 5.178 2.466 4.329 227 HG21 VAL 35 3HG2 VAL 35 2.872 -0.359 2.871 228 HG22 VAL 35 1HG2 VAL 35 3.827 0.731 1.866 229 HG23 VAL 35 2HG2 VAL 35 4.416 -0.896 2.207 230 H LEU 36 H LEU 36 8.101 1.816 3.764 231 HA LEU 36 HA LEU 36 8.695 1.582 6.565 232 HB2 LEU 36 1HB LEU 36 9.817 3.441 4.473 233 HB3 LEU 36 2HB LEU 36 10.468 3.213 6.095 234 HG LEU 36 HG LEU 36 10.298 0.995 4.064 235 HD11 LEU 36 1HD1 LEU 36 11.763 3.129 3.545 236 HD12 LEU 36 2HD1 LEU 36 12.357 1.500 3.228 237 HD13 LEU 36 3HD1 LEU 36 12.865 2.355 4.684 238 HD21 LEU 36 3HD2 LEU 36 12.254 0.239 5.618 239 HD22 LEU 36 1HD2 LEU 36 10.581 -0.012 6.116 240 HD23 LEU 36 2HD2 LEU 36 11.503 1.340 6.775 241 H GLU 37 H GLU 37 7.921 4.409 4.523 242 HA GLU 37 HA GLU 37 6.477 5.549 6.821 243 HB2 GLU 37 1HB GLU 37 8.826 6.546 6.135 244 HB3 GLU 37 2HB GLU 37 7.877 7.350 4.893 245 HG2 GLU 37 1HG GLU 37 8.275 8.630 7.035 246 HG3 GLU 37 2HG GLU 37 6.610 8.533 6.466 247 H LYS 38 H LYS 38 4.833 7.136 6.242 248 HA LYS 38 HA LYS 38 3.812 6.812 3.501 249 HB2 LYS 38 1HB LYS 38 2.280 6.594 6.091 250 HB3 LYS 38 2HB LYS 38 1.495 6.854 4.539 251 HG2 LYS 38 1HG LYS 38 2.633 4.748 3.746 252 HG3 LYS 38 2HG LYS 38 3.086 4.466 5.429 253 HD2 LYS 38 1HD LYS 38 0.692 4.559 6.047 254 HD3 LYS 38 2HD LYS 38 0.284 4.737 4.339 255 HE2 LYS 38 1HE LYS 38 1.339 2.571 3.875 256 HE3 LYS 38 2HE LYS 38 1.723 2.396 5.586 257 HZ1 LYS 38 3HZ LYS 38 -0.546 1.527 4.361 258 HZ2 LYS 38 1HZ LYS 38 -1.049 2.945 5.134 259 HZ3 LYS 38 2HZ LYS 38 -0.328 1.703 6.029 260 H GLN 39 H GLN 39 2.798 8.587 2.600 261 HA GLN 39 HA GLN 39 2.974 11.076 4.167 262 HB2 GLN 39 1HB GLN 39 3.437 10.586 1.227 263 HB3 GLN 39 2HB GLN 39 3.221 12.195 1.904 264 HG2 GLN 39 1HG GLN 39 5.327 10.329 2.932 265 HG3 GLN 39 2HG GLN 39 5.601 11.359 1.528 266 HE21 GLN 39 1HE2 GLN 39 6.941 12.885 2.218 267 HE22 GLN 39 2HE2 GLN 39 6.694 13.886 3.604 268 H GLU 40 H GLU 40 1.257 12.456 4.180 269 HA GLU 40 HA GLU 40 -1.309 11.498 3.839 270 HB2 GLU 40 1HB GLU 40 -0.278 14.334 3.824 271 HB3 GLU 40 2HB GLU 40 -1.991 13.937 3.826 272 HG2 GLU 40 1HG GLU 40 -1.431 14.372 6.060 273 HG3 GLU 40 2HG GLU 40 -1.556 12.618 5.932 274 H SER 41 H SER 41 0.659 13.382 1.578 275 HA SER 41 HA SER 41 -1.124 13.987 -0.390 276 HB2 SER 41 1HB SER 41 0.726 13.922 -1.971 277 HB3 SER 41 2HB SER 41 1.293 14.568 -0.431 278 HG SER 41 HG SER 41 2.275 12.630 0.011 279 H GLY 42 H GLY 42 0.468 10.863 0.127 280 HA2 GLY 42 1HA GLY 42 -1.256 9.014 -0.376 281 HA3 GLY 42 2HA GLY 42 -1.214 9.703 -1.992 282 H TRP 43 H TRP 43 1.764 10.257 -1.413 283 HA TRP 43 HA TRP 43 2.690 7.781 -2.578 284 HB2 TRP 43 1HB TRP 43 4.032 10.407 -1.945 285 HB3 TRP 43 2HB TRP 43 4.926 9.016 -2.553 286 HD1 TRP 43 HD TRP 43 2.282 11.576 -3.636 287 HE1 TRP 43 1HE TRP 43 2.163 11.588 -6.207 288 HE3 TRP 43 3HE TRP 43 5.359 7.611 -4.609 289 HZ2 TRP 43 2HZ TRP 43 3.231 10.111 -8.362 290 HZ3 TRP 43 3HZ TRP 43 5.758 6.975 -6.952 291 HH2 TRP 43 HH TRP 43 4.714 8.201 -8.789 292 H TRP 44 H TRP 44 3.464 6.116 -1.476 293 HA TRP 44 HA TRP 44 4.384 6.569 1.285 294 HB2 TRP 44 1HB TRP 44 3.292 4.033 0.045 295 HB3 TRP 44 2HB TRP 44 3.798 4.225 1.721 296 HD1 TRP 44 HD TRP 44 2.197 7.332 1.306 297 HE1 TRP 44 1HE TRP 44 -0.303 7.278 1.918 298 HE3 TRP 44 3HE TRP 44 1.443 2.277 1.198 299 HZ2 TRP 44 2HZ TRP 44 -2.326 5.348 2.304 300 HZ3 TRP 44 3HZ TRP 44 -0.803 1.408 1.701 301 HH2 TRP 44 HH TRP 44 -2.648 2.914 2.243 302 H TYR 45 H TYR 45 6.324 5.728 1.966 303 HA TYR 45 HA TYR 45 8.221 5.101 -0.131 304 HB2 TYR 45 1HB TYR 45 8.585 6.635 1.945 305 HB3 TYR 45 2HB TYR 45 8.889 5.124 2.795 306 HD1 TYR 45 1HD TYR 45 9.833 6.238 -0.642 307 HD2 TYR 45 2HD TYR 45 11.166 5.010 3.207 308 HE1 TYR 45 1HE TYR 45 12.157 6.260 -1.447 309 HE2 TYR 45 2HE TYR 45 13.493 5.030 2.414 310 HH TYR 45 HH TYR 45 14.307 6.088 -0.868 311 H VAL 46 H VAL 46 8.217 3.066 -0.846 312 HA VAL 46 HA VAL 46 7.935 0.877 1.095 313 HB VAL 46 HB VAL 46 7.739 -0.492 -1.122 314 HG11 VAL 46 1HG1 VAL 46 5.927 -0.334 0.426 315 HG12 VAL 46 2HG1 VAL 46 5.587 1.329 -0.056 316 HG13 VAL 46 3HG1 VAL 46 5.289 0.004 -1.182 317 HG21 VAL 46 3HG2 VAL 46 8.364 1.657 -2.420 318 HG22 VAL 46 1HG2 VAL 46 7.079 0.625 -3.048 319 HG23 VAL 46 2HG2 VAL 46 6.675 2.103 -2.174 320 H ARG 47 H ARG 47 9.247 -1.093 0.645 321 HA ARG 47 HA ARG 47 11.897 -0.416 -0.446 322 HB2 ARG 47 1HB ARG 47 11.928 -0.386 2.030 323 HB3 ARG 47 2HB ARG 47 11.360 -2.050 2.040 324 HG2 ARG 47 1HG ARG 47 13.411 -2.719 0.837 325 HG3 ARG 47 2HG ARG 47 13.984 -1.053 0.953 326 HD2 ARG 47 1HD ARG 47 14.943 -2.471 2.706 327 HD3 ARG 47 2HD ARG 47 13.943 -1.184 3.377 328 HE ARG 47 HE ARG 47 12.280 -3.359 3.127 329 HH11 ARG 47 1HH1 ARG 47 15.253 -2.639 4.787 330 HH12 ARG 47 2HH1 ARG 47 14.942 -3.735 6.092 331 HH21 ARG 47 1HH2 ARG 47 11.858 -4.806 4.839 332 HH22 ARG 47 2HH2 ARG 47 13.011 -4.968 6.120 333 H PHE 48 H PHE 48 12.462 -1.720 -2.046 334 HA PHE 48 HA PHE 48 11.270 -4.412 -2.153 335 HB2 PHE 48 1HB PHE 48 10.649 -2.825 -4.000 336 HB3 PHE 48 2HB PHE 48 12.343 -2.805 -4.478 337 HD1 PHE 48 2HD PHE 48 10.154 -5.613 -3.392 338 HD2 PHE 48 1HD PHE 48 12.480 -3.885 -6.509 339 HE1 PHE 48 2HE PHE 48 9.783 -7.615 -4.773 340 HE2 PHE 48 1HE PHE 48 12.112 -5.884 -7.896 341 HZ PHE 48 HZ PHE 48 10.764 -7.753 -7.028 342 H GLY 49 H GLY 49 12.823 -5.570 -1.067 343 HA2 GLY 49 1HA GLY 49 14.714 -6.894 -0.997 344 HA3 GLY 49 2HA GLY 49 15.186 -6.228 -2.553 345 H GLU 50 H GLU 50 16.675 -4.615 -2.644 346 HA GLU 50 HA GLU 50 17.730 -3.665 -0.061 347 HB2 GLU 50 1HB GLU 50 19.126 -5.264 -1.618 348 HB3 GLU 50 2HB GLU 50 19.441 -3.783 -2.510 349 HG2 GLU 50 1HG GLU 50 20.148 -2.814 -0.238 350 HG3 GLU 50 2HG GLU 50 20.225 -4.495 0.286 351 H LEU 51 H LEU 51 15.661 -2.424 -1.686 352 HA LEU 51 HA LEU 51 16.937 0.183 -2.017 353 HB2 LEU 51 1HB LEU 51 15.123 -1.028 -4.098 354 HB3 LEU 51 2HB LEU 51 15.821 0.590 -4.137 355 HG LEU 51 HG LEU 51 17.505 -1.904 -4.171 356 HD11 LEU 51 1HD1 LEU 51 16.658 -0.312 -6.579 357 HD12 LEU 51 2HD1 LEU 51 15.879 -1.814 -6.084 358 HD13 LEU 51 3HD1 LEU 51 17.583 -1.813 -6.539 359 HD21 LEU 51 3HD2 LEU 51 18.048 0.950 -4.984 360 HD22 LEU 51 1HD2 LEU 51 19.186 -0.394 -5.095 361 HD23 LEU 51 2HD2 LEU 51 18.628 0.162 -3.516 362 H GLU 52 H GLU 52 15.432 1.965 -1.972 363 HA GLU 52 HA GLU 52 12.742 1.309 -1.011 364 HB2 GLU 52 1HB GLU 52 14.546 3.301 0.370 365 HB3 GLU 52 2HB GLU 52 12.916 2.848 0.848 366 HG2 GLU 52 1HG GLU 52 13.575 0.855 1.738 367 HG3 GLU 52 2HG GLU 52 14.970 0.712 0.669 368 H GLY 53 H GLY 53 11.351 2.330 -2.283 369 HA2 GLY 53 1HA GLY 53 12.009 5.073 -3.151 370 HA3 GLY 53 2HA GLY 53 11.359 3.895 -4.281 371 H TRP 54 H TRP 54 10.101 6.307 -3.901 372 HA TRP 54 HA TRP 54 7.877 5.835 -2.073 373 HB2 TRP 54 1HB TRP 54 8.621 8.212 -3.787 374 HB3 TRP 54 2HB TRP 54 7.174 8.141 -2.785 375 HD1 TRP 54 HD TRP 54 10.976 8.460 -2.536 376 HE1 TRP 54 1HE TRP 54 11.582 9.251 -0.163 377 HE3 TRP 54 3HE TRP 54 6.361 8.121 -0.364 378 HZ2 TRP 54 2HZ TRP 54 10.277 9.675 2.304 379 HZ3 TRP 54 3HZ TRP 54 6.125 8.738 2.006 380 HH2 TRP 54 HH TRP 54 8.043 9.498 3.311 381 H ALA 55 H ALA 55 6.214 4.679 -2.775 382 HA ALA 55 HA ALA 55 5.403 4.954 -5.597 383 HB1 ALA 55 3HB ALA 55 6.339 2.719 -4.971 384 HB2 ALA 55 1HB ALA 55 4.971 2.520 -3.876 385 HB3 ALA 55 2HB ALA 55 4.696 2.676 -5.611 386 HA PRO 56 HA PRO 56 1.478 6.372 -4.219 387 HB2 PRO 56 1HB PRO 56 -0.082 5.539 -6.278 388 HB3 PRO 56 2HB PRO 56 1.048 6.891 -6.415 389 HG2 PRO 56 1HG PRO 56 1.382 4.048 -7.289 390 HG3 PRO 56 2HG PRO 56 1.822 5.539 -8.141 391 HD2 PRO 56 1HD PRO 56 3.635 4.035 -6.805 392 HD3 PRO 56 2HD PRO 56 3.770 5.800 -6.937 393 H SER 57 H SER 57 0.015 5.617 -2.819 394 HA SER 57 HA SER 57 -0.134 2.933 -2.066 395 HB2 SER 57 1HB SER 57 -0.789 4.582 -0.475 396 HB3 SER 57 2HB SER 57 -1.996 5.258 -1.568 397 HG SER 57 HG SER 57 -2.206 2.569 -0.807 398 H HIS 58 H HIS 58 -1.583 4.545 -4.686 399 HA HIS 58 HA HIS 58 -3.950 3.024 -4.973 400 HB2 HIS 58 1HB HIS 58 -2.347 4.320 -7.184 401 HB3 HIS 58 2HB HIS 58 -4.062 3.917 -7.210 402 HD1 HIS 58 1HD HIS 58 -1.699 6.559 -6.239 403 HD2 HIS 58 2HD HIS 58 -5.680 5.605 -5.527 404 HE1 HIS 58 1HE HIS 58 -2.736 8.651 -5.306 405 HE2 HIS 58 2HE HIS 58 -5.123 8.025 -4.804 406 H TYR 59 H TYR 59 -0.630 2.512 -5.976 407 HA TYR 59 HA TYR 59 -1.280 0.215 -7.602 408 HB2 TYR 59 1HB TYR 59 1.314 1.488 -6.743 409 HB3 TYR 59 2HB TYR 59 1.268 -0.026 -7.641 410 HD1 TYR 59 1HD TYR 59 -0.484 3.274 -7.905 411 HD2 TYR 59 2HD TYR 59 1.764 0.242 -9.869 412 HE1 TYR 59 1HE TYR 59 -0.636 4.535 -10.012 413 HE2 TYR 59 2HE TYR 59 1.620 1.495 -11.981 414 HH TYR 59 HH TYR 59 0.665 4.704 -12.153 415 H LEU 60 H LEU 60 -0.359 0.859 -4.323 416 HA LEU 60 HA LEU 60 0.515 -1.799 -3.712 417 HB2 LEU 60 1HB LEU 60 -0.379 0.415 -1.872 418 HB3 LEU 60 2HB LEU 60 0.462 -1.055 -1.385 419 HG LEU 60 HG LEU 60 1.652 1.011 -3.229 420 HD11 LEU 60 1HD1 LEU 60 2.539 2.153 -1.479 421 HD12 LEU 60 2HD1 LEU 60 2.544 0.747 -0.415 422 HD13 LEU 60 3HD1 LEU 60 1.041 1.618 -0.718 423 HD21 LEU 60 3HD2 LEU 60 2.707 -1.107 -3.486 424 HD22 LEU 60 1HD2 LEU 60 2.762 -1.361 -1.741 425 HD23 LEU 60 2HD2 LEU 60 3.767 -0.114 -2.482 426 H VAL 61 H VAL 61 -0.572 -3.382 -2.517 427 HA VAL 61 HA VAL 61 -3.497 -3.219 -2.709 428 HB VAL 61 HB VAL 61 -1.755 -5.658 -2.331 429 HG11 VAL 61 1HG1 VAL 61 -4.508 -5.271 -1.874 430 HG12 VAL 61 2HG1 VAL 61 -4.363 -6.202 -3.367 431 HG13 VAL 61 3HG1 VAL 61 -3.611 -6.789 -1.883 432 HG21 VAL 61 3HG2 VAL 61 -1.763 -6.012 -4.581 433 HG22 VAL 61 1HG2 VAL 61 -3.299 -5.179 -4.818 434 HG23 VAL 61 2HG2 VAL 61 -1.819 -4.250 -4.585 435 H LEU 62 H LEU 62 -4.664 -2.961 -0.929 436 HA LEU 62 HA LEU 62 -3.380 -3.390 1.673 437 HB2 LEU 62 1HB LEU 62 -5.924 -1.909 1.025 438 HB3 LEU 62 2HB LEU 62 -5.114 -1.966 2.590 439 HG LEU 62 HG LEU 62 -3.129 -0.880 1.294 440 HD11 LEU 62 1HD1 LEU 62 -3.993 -1.081 -0.934 441 HD12 LEU 62 2HD1 LEU 62 -3.944 0.628 -0.503 442 HD13 LEU 62 3HD1 LEU 62 -5.477 -0.242 -0.484 443 HD21 LEU 62 3HD2 LEU 62 -3.789 0.639 2.786 444 HD22 LEU 62 1HD2 LEU 62 -5.487 0.195 2.607 445 HD23 LEU 62 2HD2 LEU 62 -4.754 1.343 1.487 446 H ASP 63 H ASP 63 -3.681 -5.461 2.266 447 HA ASP 63 HA ASP 63 -4.743 -7.506 2.504 448 HB2 ASP 63 1HB ASP 63 -6.950 -6.010 3.844 449 HB3 ASP 63 2HB ASP 63 -6.060 -7.427 4.393 450 H GLU 64 H GLU 64 -5.438 -6.261 0.000 451 HA GLU 64 HA GLU 64 -8.286 -6.689 -0.342 452 HB2 GLU 64 1HB GLU 64 -6.920 -4.871 -1.507 453 HB3 GLU 64 2HB GLU 64 -6.276 -6.154 -2.522 454 HG2 GLU 64 1HG GLU 64 -8.795 -6.698 -2.931 455 HG3 GLU 64 2HG GLU 64 -9.031 -5.032 -2.407 456 H ASN 65 H ASN 65 -5.263 -8.124 -1.543 457 HA ASN 65 HA ASN 65 -6.786 -10.419 -2.549 458 HB2 ASN 65 1HB ASN 65 -4.989 -9.116 -3.917 459 HB3 ASN 65 2HB ASN 65 -3.835 -10.040 -2.960 460 HD21 ASN 65 1HD2 ASN 65 -3.039 -11.456 -4.368 461 HD22 ASN 65 2HD2 ASN 65 -3.976 -12.568 -5.300 462 H GLU 66 H GLU 66 -6.786 -12.307 -1.516 463 HA GLU 66 HA GLU 66 -4.565 -13.274 -0.013 464 HB2 GLU 66 1HB GLU 66 -5.621 -13.327 2.190 465 HB3 GLU 66 2HB GLU 66 -5.434 -11.673 1.625 466 HG2 GLU 66 1HG GLU 66 -7.834 -11.804 0.850 467 HG3 GLU 66 2HG GLU 66 -7.945 -13.310 1.759 468 H GLN 67 H GLN 67 -5.306 -15.306 1.296 469 HA GLN 67 HA GLN 67 -6.504 -17.077 -0.557 470 HB2 GLN 67 1HB GLN 67 -6.356 -18.737 1.293 471 HB3 GLN 67 2HB GLN 67 -4.842 -17.902 0.975 472 HG2 GLN 67 1HG GLN 67 -6.679 -16.874 3.086 473 HG3 GLN 67 2HG GLN 67 -5.654 -18.270 3.416 474 HE21 GLN 67 1HE2 GLN 67 -5.847 -14.964 3.506 475 HE22 GLN 67 2HE2 GLN 67 -4.165 -14.592 3.638 476 HA PRO 68 HA PRO 68 -10.784 -16.703 0.371 477 HB2 PRO 68 1HB PRO 68 -11.626 -19.191 -0.316 478 HB3 PRO 68 2HB PRO 68 -11.156 -17.973 -1.508 479 HG2 PRO 68 1HG PRO 68 -9.574 -20.273 -0.427 480 HG3 PRO 68 2HG PRO 68 -9.710 -19.695 -2.098 481 HD2 PRO 68 1HD PRO 68 -7.588 -19.109 -0.521 482 HD3 PRO 68 2HD PRO 68 -8.189 -17.995 -1.766 483 H ASP 69 H ASP 69 -10.804 -16.469 2.619 484 HA ASP 69 HA ASP 69 -11.855 -18.716 4.062 485 HB2 ASP 69 1HB ASP 69 -9.722 -19.413 4.594 486 HB3 ASP 69 2HB ASP 69 -9.056 -17.784 4.515 487 HA PRO 70 HA PRO 70 -13.922 -15.460 6.167 488 HB2 PRO 70 1HB PRO 70 -14.612 -16.741 8.459 489 HB3 PRO 70 2HB PRO 70 -15.395 -17.060 6.906 490 HG2 PRO 70 1HG PRO 70 -13.232 -18.600 8.290 491 HG3 PRO 70 2HG PRO 70 -14.668 -19.203 7.443 492 HD2 PRO 70 1HD PRO 70 -12.210 -19.181 6.308 493 HD3 PRO 70 2HD PRO 70 -13.699 -18.964 5.366 494 H SER 71 H SER 71 -12.145 -14.048 6.511 495 HA SER 71 HA SER 71 -10.105 -14.212 8.309 496 HB2 SER 71 1HB SER 71 -10.223 -12.323 6.842 497 HB3 SER 71 2HB SER 71 -11.757 -11.801 7.537 498 HG SER 71 HG SER 71 -9.350 -11.068 8.271 499 H GLY 72 H GLY 72 -9.838 -13.014 10.411 500 HA2 GLY 72 1HA GLY 72 -12.204 -13.506 12.110 501 HA3 GLY 72 2HA GLY 72 -10.547 -13.741 12.644 502 H LYS 73 H LYS 73 -9.499 -11.331 11.499 503 HA LYS 73 HA LYS 73 -10.087 -9.533 13.620 504 HB2 LYS 73 1HB LYS 73 -8.495 -9.205 11.075 505 HB3 LYS 73 2HB LYS 73 -8.613 -7.957 12.309 506 HG2 LYS 73 1HG LYS 73 -7.389 -9.184 13.850 507 HG3 LYS 73 2HG LYS 73 -7.686 -10.712 13.016 508 HD2 LYS 73 1HD LYS 73 -6.127 -10.239 11.344 509 HD3 LYS 73 2HD LYS 73 -6.130 -8.511 11.701 510 HE2 LYS 73 1HE LYS 73 -4.156 -9.090 12.684 511 HE3 LYS 73 2HE LYS 73 -5.244 -9.364 14.044 512 HZ1 LYS 73 3HZ LYS 73 -3.784 -11.230 13.813 513 HZ2 LYS 73 1HZ LYS 73 -4.186 -11.419 12.181 514 HZ3 LYS 73 2HZ LYS 73 -5.343 -11.722 13.376 515 H GLU 74 H GLU 74 -11.047 -7.471 13.532 516 HA GLU 74 HA GLU 74 -12.765 -6.987 11.191 517 HB2 GLU 74 1HB GLU 74 -13.492 -6.847 14.113 518 HB3 GLU 74 2HB GLU 74 -14.440 -6.045 12.869 519 HG2 GLU 74 1HG GLU 74 -14.559 -8.356 11.758 520 HG3 GLU 74 2HG GLU 74 -14.030 -8.974 13.321 521 H SER 75 H SER 75 -12.883 -4.922 10.471 522 HA SER 75 HA SER 75 -11.148 -2.973 11.813 523 HB2 SER 75 1HB SER 75 -10.958 -1.853 9.701 524 HB3 SER 75 2HB SER 75 -10.745 -3.576 9.392 525 HG SER 75 HG SER 75 -13.129 -2.079 9.013 526 H GLY 76 H GLY 76 -14.355 -3.762 11.612 527 HA2 GLY 76 1HA GLY 76 -16.178 -2.643 12.504 528 HA3 GLY 76 2HA GLY 76 -15.156 -1.232 12.736 529 HA PRO 77 HA PRO 77 -17.950 -1.054 8.810 530 HB2 PRO 77 1HB PRO 77 -20.251 -0.036 9.828 531 HB3 PRO 77 2HB PRO 77 -19.967 -1.771 9.643 532 HG2 PRO 77 1HG PRO 77 -19.714 -0.061 12.087 533 HG3 PRO 77 2HG PRO 77 -20.426 -1.676 11.921 534 HD2 PRO 77 1HD PRO 77 -17.934 -1.276 12.902 535 HD3 PRO 77 2HD PRO 77 -18.373 -2.723 11.973 536 H SER 78 H SER 78 -18.523 0.912 7.749 537 HA SER 78 HA SER 78 -17.387 3.283 9.059 538 HB2 SER 78 1HB SER 78 -16.544 2.347 6.775 539 HB3 SER 78 2HB SER 78 -17.988 3.118 6.120 540 HG SER 78 HG SER 78 -16.317 4.594 7.815 541 H SER 79 H SER 79 -18.393 5.391 8.460 542 HA SER 79 HA SER 79 -21.317 5.132 8.561 543 HB2 SER 79 1HB SER 79 -21.337 7.339 9.588 544 HB3 SER 79 2HB SER 79 -20.213 6.296 10.458 545 HG SER 79 HG SER 79 -19.555 8.559 9.767 546 H GLY 80 H GLY 80 -18.802 7.235 7.154 547 HA2 GLY 80 1HA GLY 80 -20.383 8.745 5.466 548 HA3 GLY 80 2HA GLY 80 -18.713 8.313 5.127 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.415 -11.953 26.521 2 HA2 GLY 1 1HA GLY 1 3.077 -12.613 24.167 3 HA3 GLY 1 2HA GLY 1 1.337 -12.856 24.210 4 H SER 2 H SER 2 2.777 -11.328 22.273 5 HA SER 2 HA SER 2 2.223 -8.545 22.931 6 HB2 SER 2 1HB SER 2 4.306 -9.379 21.660 7 HB3 SER 2 2HB SER 2 3.229 -9.550 20.275 8 HG SER 2 HG SER 2 4.412 -7.353 21.162 9 H SER 3 H SER 3 -0.075 -8.741 23.067 10 HA SER 3 HA SER 3 -1.877 -9.762 21.339 11 HB2 SER 3 1HB SER 3 -1.898 -7.200 22.900 12 HB3 SER 3 2HB SER 3 -3.253 -7.594 21.842 13 HG SER 3 HG SER 3 -2.366 -9.587 23.571 14 H GLY 4 H GLY 4 -0.473 -6.499 20.988 15 HA2 GLY 4 1HA GLY 4 -1.187 -6.629 18.123 16 HA3 GLY 4 2HA GLY 4 -1.143 -5.138 19.053 17 H SER 5 H SER 5 0.216 -4.919 16.869 18 HA SER 5 HA SER 5 3.025 -5.206 17.694 19 HB2 SER 5 1HB SER 5 2.156 -6.835 15.834 20 HB3 SER 5 2HB SER 5 2.274 -5.414 14.796 21 HG SER 5 HG SER 5 4.459 -5.986 16.422 22 H SER 6 H SER 6 4.433 -3.571 16.997 23 HA SER 6 HA SER 6 3.101 -1.173 15.916 24 HB2 SER 6 1HB SER 6 3.666 -0.947 18.324 25 HB3 SER 6 2HB SER 6 5.360 -1.238 17.932 26 HG SER 6 HG SER 6 4.055 0.777 16.524 27 H GLY 7 H GLY 7 4.276 -3.042 14.236 28 HA2 GLY 7 1HA GLY 7 6.804 -1.729 13.456 29 HA3 GLY 7 2HA GLY 7 6.409 -3.405 13.101 30 H ALA 8 H ALA 8 7.192 -2.267 10.963 31 HA ALA 8 HA ALA 8 5.365 -0.640 9.549 32 HB1 ALA 8 3HB ALA 8 6.674 -1.492 7.526 33 HB2 ALA 8 1HB ALA 8 7.568 -0.609 8.764 34 HB3 ALA 8 2HB ALA 8 7.663 -2.369 8.693 35 H THR 9 H THR 9 4.659 -1.565 7.238 36 HA THR 9 HA THR 9 3.338 -4.161 7.621 37 HB THR 9 HB THR 9 1.986 -1.610 6.733 38 HG1 THR 9 1HG THR 9 0.526 -2.564 8.507 39 HG21 THR 9 3HG2 THR 9 0.848 -4.406 6.743 40 HG22 THR 9 1HG2 THR 9 1.348 -3.530 5.297 41 HG23 THR 9 2HG2 THR 9 0.010 -2.927 6.275 42 H SER 10 H SER 10 3.773 -5.466 5.979 43 HA SER 10 HA SER 10 4.855 -4.383 3.513 44 HB2 SER 10 1HB SER 10 5.573 -6.580 3.017 45 HB3 SER 10 2HB SER 10 5.768 -6.433 4.764 46 HG SER 10 HG SER 10 4.731 -8.343 4.424 47 H TYR 11 H TYR 11 3.768 -4.148 1.669 48 HA TYR 11 HA TYR 11 1.068 -5.314 1.501 49 HB2 TYR 11 1HB TYR 11 2.186 -2.784 0.282 50 HB3 TYR 11 2HB TYR 11 0.605 -3.448 -0.117 51 HD1 TYR 11 2HD TYR 11 2.599 -2.445 2.882 52 HD2 TYR 11 1HD TYR 11 -1.229 -2.654 1.038 53 HE1 TYR 11 2HE TYR 11 1.620 -1.247 4.793 54 HE2 TYR 11 1HE TYR 11 -2.219 -1.455 2.944 55 HH TYR 11 HH TYR 11 -0.852 -1.155 5.838 56 H MET 12 H MET 12 0.336 -5.507 -0.884 57 HA MET 12 HA MET 12 2.523 -6.755 -2.415 58 HB2 MET 12 1HB MET 12 -0.333 -7.584 -2.006 59 HB3 MET 12 2HB MET 12 0.550 -8.106 -3.434 60 HG2 MET 12 1HG MET 12 1.584 -8.551 -0.654 61 HG3 MET 12 2HG MET 12 0.508 -9.689 -1.461 62 HE1 MET 12 3HE MET 12 0.890 -10.173 -3.938 63 HE2 MET 12 1HE MET 12 2.457 -10.598 -4.628 64 HE3 MET 12 2HE MET 12 1.723 -11.634 -3.404 65 H THR 13 H THR 13 2.912 -5.974 -4.383 66 HA THR 13 HA THR 13 1.432 -3.742 -5.376 67 HB THR 13 HB THR 13 3.006 -3.656 -7.173 68 HG1 THR 13 1HG THR 13 3.540 -5.527 -8.003 69 HG21 THR 13 3HG2 THR 13 4.087 -2.840 -5.287 70 HG22 THR 13 1HG2 THR 13 5.216 -4.064 -5.865 71 HG23 THR 13 2HG2 THR 13 4.145 -4.422 -4.510 72 H CYS 14 H CYS 14 -0.268 -3.730 -6.690 73 HA CYS 14 HA CYS 14 -1.132 -6.249 -7.892 74 HB2 CYS 14 1HB CYS 14 -2.793 -5.058 -6.574 75 HB3 CYS 14 2HB CYS 14 -2.565 -3.608 -7.544 76 HG CYS 14 HG CYS 14 -4.747 -5.930 -7.971 77 H SER 15 H SER 15 0.539 -3.472 -8.751 78 HA SER 15 HA SER 15 0.392 -4.170 -11.559 79 HB2 SER 15 1HB SER 15 -0.726 -1.620 -10.453 80 HB3 SER 15 2HB SER 15 0.044 -1.606 -12.039 81 HG SER 15 HG SER 15 -2.129 -2.033 -12.315 82 H ALA 16 H ALA 16 2.009 -3.012 -12.851 83 HA ALA 16 HA ALA 16 4.456 -2.704 -11.356 84 HB1 ALA 16 3HB ALA 16 4.407 -2.077 -14.245 85 HB2 ALA 16 1HB ALA 16 5.538 -3.058 -13.312 86 HB3 ALA 16 2HB ALA 16 3.972 -3.722 -13.780 87 H TYR 17 H TYR 17 5.205 -0.853 -10.577 88 HA TYR 17 HA TYR 17 4.050 1.662 -11.535 89 HB2 TYR 17 1HB TYR 17 3.854 1.671 -9.232 90 HB3 TYR 17 2HB TYR 17 5.360 0.792 -8.992 91 HD1 TYR 17 2HD TYR 17 7.539 2.007 -9.273 92 HD2 TYR 17 1HD TYR 17 3.800 4.037 -9.204 93 HE1 TYR 17 2HE TYR 17 8.702 4.121 -8.796 94 HE2 TYR 17 1HE TYR 17 4.954 6.157 -8.729 95 HH TYR 17 HH TYR 17 7.091 7.171 -8.912 96 H GLN 18 H GLN 18 5.165 2.992 -12.796 97 HA GLN 18 HA GLN 18 7.963 2.409 -13.349 98 HB2 GLN 18 1HB GLN 18 6.341 2.780 -15.201 99 HB3 GLN 18 2HB GLN 18 6.140 4.438 -14.650 100 HG2 GLN 18 1HG GLN 18 8.864 3.418 -15.307 101 HG3 GLN 18 2HG GLN 18 7.765 3.892 -16.601 102 HE21 GLN 18 1HE2 GLN 18 9.971 5.278 -16.538 103 HE22 GLN 18 2HE2 GLN 18 9.748 6.850 -15.858 104 H LYS 19 H LYS 19 9.523 3.402 -12.276 105 HA LYS 19 HA LYS 19 9.058 5.614 -10.559 106 HB2 LYS 19 1HB LYS 19 11.429 5.540 -10.103 107 HB3 LYS 19 2HB LYS 19 10.808 3.896 -10.169 108 HG2 LYS 19 1HG LYS 19 11.814 3.476 -12.239 109 HG3 LYS 19 2HG LYS 19 12.087 5.192 -12.552 110 HD2 LYS 19 1HD LYS 19 13.356 3.976 -10.150 111 HD3 LYS 19 2HD LYS 19 14.037 3.603 -11.735 112 HE2 LYS 19 1HE LYS 19 13.449 6.439 -11.006 113 HE3 LYS 19 2HE LYS 19 14.901 5.662 -10.376 114 HZ1 LYS 19 3HZ LYS 19 15.528 5.132 -12.675 115 HZ2 LYS 19 1HZ LYS 19 15.404 6.800 -12.415 116 HZ3 LYS 19 2HZ LYS 19 14.175 5.978 -13.238 117 H VAL 20 H VAL 20 9.816 7.747 -10.712 118 HA VAL 20 HA VAL 20 10.409 8.639 -13.460 119 HB VAL 20 HB VAL 20 8.178 9.357 -12.687 120 HG11 VAL 20 1HG1 VAL 20 8.444 11.341 -10.918 121 HG12 VAL 20 2HG1 VAL 20 8.119 9.673 -10.442 122 HG13 VAL 20 3HG1 VAL 20 9.765 10.306 -10.377 123 HG21 VAL 20 3HG2 VAL 20 10.143 10.886 -13.899 124 HG22 VAL 20 1HG2 VAL 20 8.413 11.225 -13.881 125 HG23 VAL 20 2HG2 VAL 20 9.467 11.956 -12.671 126 H GLN 21 H GLN 21 11.328 8.702 -10.141 127 HA GLN 21 HA GLN 21 13.515 10.566 -10.793 128 HB2 GLN 21 1HB GLN 21 11.953 10.255 -8.234 129 HB3 GLN 21 2HB GLN 21 13.509 11.074 -8.296 130 HG2 GLN 21 1HG GLN 21 11.203 11.884 -10.035 131 HG3 GLN 21 2HG GLN 21 11.429 12.519 -8.406 132 HE21 GLN 21 1HE2 GLN 21 11.379 14.254 -10.459 133 HE22 GLN 21 2HE2 GLN 21 12.957 14.889 -10.761 134 H ASP 22 H ASP 22 15.556 10.143 -9.856 135 HA ASP 22 HA ASP 22 16.393 7.505 -9.880 136 HB2 ASP 22 1HB ASP 22 17.583 10.015 -8.740 137 HB3 ASP 22 2HB ASP 22 18.386 8.466 -8.499 138 H SER 23 H SER 23 15.126 9.415 -7.242 139 HA SER 23 HA SER 23 15.932 7.728 -5.122 140 HB2 SER 23 1HB SER 23 13.575 9.621 -5.288 141 HB3 SER 23 2HB SER 23 14.204 8.906 -3.804 142 HG SER 23 HG SER 23 15.454 10.592 -3.776 143 H GLU 24 H GLU 24 12.838 7.994 -6.867 144 HA GLU 24 HA GLU 24 11.572 5.861 -5.526 145 HB2 GLU 24 1HB GLU 24 11.064 7.138 -8.212 146 HB3 GLU 24 2HB GLU 24 10.038 5.875 -7.547 147 HG2 GLU 24 1HG GLU 24 9.216 7.233 -5.877 148 HG3 GLU 24 2HG GLU 24 10.599 8.325 -5.941 149 H ILE 25 H ILE 25 10.936 3.787 -6.469 150 HA ILE 25 HA ILE 25 12.893 2.721 -8.388 151 HB ILE 25 HB ILE 25 13.797 1.818 -6.467 152 HG12 ILE 25 1HG1 ILE 25 12.831 0.085 -8.163 153 HG13 ILE 25 2HG1 ILE 25 13.458 -0.477 -6.617 154 HG21 ILE 25 1HG2 ILE 25 11.921 0.721 -4.816 155 HG22 ILE 25 2HG2 ILE 25 12.654 2.310 -4.605 156 HG23 ILE 25 3HG2 ILE 25 11.092 2.159 -5.410 157 HD11 ILE 25 3HD1 ILE 25 11.006 -1.077 -7.686 158 HD12 ILE 25 1HD1 ILE 25 11.481 -1.277 -5.999 159 HD13 ILE 25 2HD1 ILE 25 10.633 0.183 -6.510 160 H SER 26 H SER 26 12.116 1.273 -9.852 161 HA SER 26 HA SER 26 9.217 0.975 -9.950 162 HB2 SER 26 1HB SER 26 9.533 0.311 -12.263 163 HB3 SER 26 2HB SER 26 10.469 1.774 -11.954 164 HG SER 26 HG SER 26 11.541 -0.851 -11.855 165 H PHE 27 H PHE 27 8.152 -0.909 -9.723 166 HA PHE 27 HA PHE 27 9.733 -3.378 -9.490 167 HB2 PHE 27 1HB PHE 27 8.043 -4.036 -7.668 168 HB3 PHE 27 2HB PHE 27 9.294 -2.876 -7.234 169 HD1 PHE 27 2HD PHE 27 8.750 -0.542 -6.850 170 HD2 PHE 27 1HD PHE 27 5.733 -3.381 -7.825 171 HE1 PHE 27 2HE PHE 27 7.023 1.045 -6.109 172 HE2 PHE 27 1HE PHE 27 4.000 -1.798 -7.086 173 HZ PHE 27 HZ PHE 27 4.644 0.418 -6.226 174 HA PRO 28 HA PRO 28 6.798 -5.118 -12.260 175 HB2 PRO 28 1HB PRO 28 7.015 -7.738 -11.583 176 HB3 PRO 28 2HB PRO 28 8.264 -6.873 -12.486 177 HG2 PRO 28 1HG PRO 28 8.145 -7.521 -9.566 178 HG3 PRO 28 2HG PRO 28 9.520 -7.628 -10.680 179 HD2 PRO 28 1HD PRO 28 9.194 -5.560 -8.964 180 HD3 PRO 28 2HD PRO 28 9.960 -5.369 -10.553 181 H ALA 29 H ALA 29 4.861 -6.579 -12.297 182 HA ALA 29 HA ALA 29 3.188 -5.988 -9.988 183 HB1 ALA 29 3HB ALA 29 2.065 -5.421 -11.929 184 HB2 ALA 29 1HB ALA 29 2.651 -6.836 -12.805 185 HB3 ALA 29 2HB ALA 29 1.406 -7.016 -11.569 186 H GLY 30 H GLY 30 3.516 -7.428 -8.377 187 HA2 GLY 30 1HA GLY 30 2.417 -9.659 -7.812 188 HA3 GLY 30 2HA GLY 30 3.463 -10.295 -9.073 189 H VAL 31 H VAL 31 4.402 -7.802 -6.784 190 HA VAL 31 HA VAL 31 6.116 -9.752 -5.400 191 HB VAL 31 HB VAL 31 7.867 -7.924 -5.271 192 HG11 VAL 31 1HG1 VAL 31 7.170 -9.214 -7.900 193 HG12 VAL 31 2HG1 VAL 31 8.696 -8.380 -7.599 194 HG13 VAL 31 3HG1 VAL 31 8.271 -9.812 -6.659 195 HG21 VAL 31 3HG2 VAL 31 6.974 -5.928 -5.904 196 HG22 VAL 31 1HG2 VAL 31 7.606 -6.445 -7.467 197 HG23 VAL 31 2HG2 VAL 31 5.896 -6.661 -7.093 198 H GLU 32 H GLU 32 6.770 -9.132 -3.260 199 HA GLU 32 HA GLU 32 4.773 -7.428 -1.965 200 HB2 GLU 32 1HB GLU 32 5.035 -9.723 -1.119 201 HB3 GLU 32 2HB GLU 32 6.727 -9.400 -0.768 202 HG2 GLU 32 1HG GLU 32 5.845 -7.505 0.722 203 HG3 GLU 32 2HG GLU 32 4.289 -8.322 0.589 204 H VAL 33 H VAL 33 5.308 -5.722 -0.628 205 HA VAL 33 HA VAL 33 8.142 -4.937 -0.543 206 HB VAL 33 HB VAL 33 7.408 -2.555 -0.832 207 HG11 VAL 33 1HG1 VAL 33 7.437 -4.644 -2.903 208 HG12 VAL 33 2HG1 VAL 33 6.734 -3.101 -3.392 209 HG13 VAL 33 3HG1 VAL 33 8.383 -3.162 -2.769 210 HG21 VAL 33 3HG2 VAL 33 4.828 -3.796 -0.784 211 HG22 VAL 33 1HG2 VAL 33 5.238 -2.081 -0.796 212 HG23 VAL 33 2HG2 VAL 33 5.049 -2.952 -2.317 213 H GLN 34 H GLN 34 8.328 -2.923 0.996 214 HA GLN 34 HA GLN 34 6.635 -3.386 3.359 215 HB2 GLN 34 1HB GLN 34 8.828 -4.460 3.670 216 HB3 GLN 34 2HB GLN 34 9.622 -2.922 3.359 217 HG2 GLN 34 1HG GLN 34 8.418 -1.993 5.340 218 HG3 GLN 34 2HG GLN 34 7.857 -3.628 5.687 219 HE21 GLN 34 1HE2 GLN 34 9.558 -1.852 7.260 220 HE22 GLN 34 2HE2 GLN 34 11.030 -2.716 7.528 221 H VAL 35 H VAL 35 5.539 -1.604 3.811 222 HA VAL 35 HA VAL 35 6.335 0.966 2.806 223 HB VAL 35 HB VAL 35 4.064 0.171 4.632 224 HG11 VAL 35 1HG1 VAL 35 4.400 2.801 3.207 225 HG12 VAL 35 2HG1 VAL 35 3.183 2.361 4.407 226 HG13 VAL 35 3HG1 VAL 35 4.870 2.547 4.888 227 HG21 VAL 35 3HG2 VAL 35 4.367 -0.340 1.967 228 HG22 VAL 35 1HG2 VAL 35 2.821 -0.197 2.803 229 HG23 VAL 35 2HG2 VAL 35 3.493 1.191 1.948 230 H LEU 36 H LEU 36 8.251 1.548 3.798 231 HA LEU 36 HA LEU 36 8.826 1.353 6.528 232 HB2 LEU 36 1HB LEU 36 9.832 3.304 4.464 233 HB3 LEU 36 2HB LEU 36 10.517 3.125 6.078 234 HG LEU 36 HG LEU 36 10.433 0.916 4.027 235 HD11 LEU 36 1HD1 LEU 36 13.026 2.076 4.674 236 HD12 LEU 36 2HD1 LEU 36 11.948 3.195 3.840 237 HD13 LEU 36 3HD1 LEU 36 12.336 1.636 3.112 238 HD21 LEU 36 3HD2 LEU 36 10.570 0.116 6.306 239 HD22 LEU 36 1HD2 LEU 36 11.898 1.227 6.646 240 HD23 LEU 36 2HD2 LEU 36 12.127 -0.099 5.504 241 H GLU 37 H GLU 37 7.493 4.068 4.660 242 HA GLU 37 HA GLU 37 6.184 5.048 7.064 243 HB2 GLU 37 1HB GLU 37 8.479 6.138 6.876 244 HB3 GLU 37 2HB GLU 37 7.875 6.935 5.431 245 HG2 GLU 37 1HG GLU 37 7.627 8.474 7.192 246 HG3 GLU 37 2HG GLU 37 6.013 7.856 6.845 247 H LYS 38 H LYS 38 4.501 6.583 6.630 248 HA LYS 38 HA LYS 38 3.626 6.591 3.816 249 HB2 LYS 38 1HB LYS 38 2.116 6.041 6.338 250 HB3 LYS 38 2HB LYS 38 1.274 6.788 4.988 251 HG2 LYS 38 1HG LYS 38 2.303 4.817 3.625 252 HG3 LYS 38 2HG LYS 38 2.451 4.060 5.212 253 HD2 LYS 38 1HD LYS 38 -0.152 5.306 4.495 254 HD3 LYS 38 2HD LYS 38 0.276 3.777 3.723 255 HE2 LYS 38 1HE LYS 38 0.187 2.606 5.684 256 HE3 LYS 38 2HE LYS 38 0.628 4.002 6.665 257 HZ1 LYS 38 3HZ LYS 38 -1.998 3.733 5.317 258 HZ2 LYS 38 1HZ LYS 38 -1.555 4.860 6.498 259 HZ3 LYS 38 2HZ LYS 38 -1.718 3.227 6.906 260 H GLN 39 H GLN 39 3.002 8.496 2.952 261 HA GLN 39 HA GLN 39 3.240 10.864 4.664 262 HB2 GLN 39 1HB GLN 39 3.431 10.487 1.679 263 HB3 GLN 39 2HB GLN 39 3.348 12.075 2.431 264 HG2 GLN 39 1HG GLN 39 5.451 10.035 3.098 265 HG3 GLN 39 2HG GLN 39 5.646 11.267 1.853 266 HE21 GLN 39 1HE2 GLN 39 4.738 13.505 2.854 267 HE22 GLN 39 2HE2 GLN 39 5.544 13.946 4.317 268 H GLU 40 H GLU 40 1.666 12.468 4.708 269 HA GLU 40 HA GLU 40 -1.002 11.626 4.584 270 HB2 GLU 40 1HB GLU 40 -1.586 13.966 4.980 271 HB3 GLU 40 2HB GLU 40 -0.252 13.470 6.011 272 HG2 GLU 40 1HG GLU 40 1.229 14.470 4.126 273 HG3 GLU 40 2HG GLU 40 -0.248 15.318 3.671 274 H SER 41 H SER 41 1.013 13.315 2.256 275 HA SER 41 HA SER 41 -0.871 14.263 0.480 276 HB2 SER 41 1HB SER 41 1.854 13.075 -0.082 277 HB3 SER 41 2HB SER 41 0.894 13.945 -1.280 278 HG SER 41 HG SER 41 2.486 14.933 0.632 279 H GLY 42 H GLY 42 0.869 11.171 0.057 280 HA2 GLY 42 1HA GLY 42 -1.263 9.477 -0.269 281 HA3 GLY 42 2HA GLY 42 -1.053 10.225 -1.846 282 H TRP 43 H TRP 43 1.842 10.449 -1.581 283 HA TRP 43 HA TRP 43 2.509 7.814 -2.518 284 HB2 TRP 43 1HB TRP 43 4.110 10.351 -2.182 285 HB3 TRP 43 2HB TRP 43 4.823 8.846 -2.755 286 HD1 TRP 43 HD TRP 43 2.004 11.305 -3.773 287 HE1 TRP 43 1HE TRP 43 1.811 11.269 -6.340 288 HE3 TRP 43 3HE TRP 43 5.429 7.649 -4.794 289 HZ2 TRP 43 2HZ TRP 43 2.958 9.875 -8.510 290 HZ3 TRP 43 3HZ TRP 43 5.821 7.023 -7.141 291 HH2 TRP 43 HH TRP 43 4.610 8.114 -8.959 292 H TRP 44 H TRP 44 3.510 6.217 -1.451 293 HA TRP 44 HA TRP 44 4.439 6.784 1.287 294 HB2 TRP 44 1HB TRP 44 3.395 4.173 0.169 295 HB3 TRP 44 2HB TRP 44 3.894 4.463 1.833 296 HD1 TRP 44 HD TRP 44 2.232 7.500 1.343 297 HE1 TRP 44 1HE TRP 44 -0.274 7.413 1.925 298 HE3 TRP 44 3HE TRP 44 1.564 2.432 1.298 299 HZ2 TRP 44 2HZ TRP 44 -2.269 5.454 2.315 300 HZ3 TRP 44 3HZ TRP 44 -0.673 1.532 1.787 301 HH2 TRP 44 HH TRP 44 -2.549 3.014 2.285 302 H TYR 45 H TYR 45 6.326 5.743 2.037 303 HA TYR 45 HA TYR 45 8.264 5.241 -0.068 304 HB2 TYR 45 1HB TYR 45 8.621 6.682 2.063 305 HB3 TYR 45 2HB TYR 45 8.867 5.140 2.874 306 HD1 TYR 45 1HD TYR 45 9.930 6.342 -0.498 307 HD2 TYR 45 2HD TYR 45 11.128 4.953 3.341 308 HE1 TYR 45 1HE TYR 45 12.275 6.334 -1.239 309 HE2 TYR 45 2HE TYR 45 13.476 4.943 2.611 310 HH TYR 45 HH TYR 45 14.504 6.415 -0.297 311 H VAL 46 H VAL 46 8.247 3.241 -0.879 312 HA VAL 46 HA VAL 46 7.853 0.962 0.923 313 HB VAL 46 HB VAL 46 7.833 -0.305 -1.344 314 HG11 VAL 46 1HG1 VAL 46 5.866 -0.154 -0.018 315 HG12 VAL 46 2HG1 VAL 46 5.644 1.548 -0.429 316 HG13 VAL 46 3HG1 VAL 46 5.417 0.305 -1.661 317 HG21 VAL 46 3HG2 VAL 46 7.062 2.414 -2.370 318 HG22 VAL 46 1HG2 VAL 46 8.686 1.753 -2.560 319 HG23 VAL 46 2HG2 VAL 46 7.307 0.927 -3.286 320 H ARG 47 H ARG 47 9.159 -1.049 0.220 321 HA ARG 47 HA ARG 47 11.895 -0.342 -0.554 322 HB2 ARG 47 1HB ARG 47 11.901 -0.290 1.877 323 HB3 ARG 47 2HB ARG 47 11.147 -1.878 1.939 324 HG2 ARG 47 1HG ARG 47 13.230 -2.670 0.643 325 HG3 ARG 47 2HG ARG 47 13.944 -1.149 1.180 326 HD2 ARG 47 1HD ARG 47 13.691 -1.734 3.463 327 HD3 ARG 47 2HD ARG 47 12.649 -3.100 3.067 328 HE ARG 47 HE ARG 47 15.246 -3.344 1.904 329 HH11 ARG 47 1HH1 ARG 47 13.425 -3.780 4.839 330 HH12 ARG 47 2HH1 ARG 47 14.482 -4.999 5.468 331 HH21 ARG 47 1HH2 ARG 47 16.646 -4.949 2.722 332 HH22 ARG 47 2HH2 ARG 47 16.314 -5.663 4.263 333 H PHE 48 H PHE 48 12.538 -1.647 -2.124 334 HA PHE 48 HA PHE 48 11.399 -4.361 -2.252 335 HB2 PHE 48 1HB PHE 48 10.654 -2.928 -4.108 336 HB3 PHE 48 2HB PHE 48 12.331 -2.612 -4.538 337 HD1 PHE 48 2HD PHE 48 10.303 -5.655 -3.775 338 HD2 PHE 48 1HD PHE 48 12.997 -3.705 -6.431 339 HE1 PHE 48 2HE PHE 48 10.298 -7.638 -5.231 340 HE2 PHE 48 1HE PHE 48 12.995 -5.684 -7.892 341 HZ PHE 48 HZ PHE 48 11.645 -7.655 -7.292 342 H GLY 49 H GLY 49 12.992 -5.470 -1.178 343 HA2 GLY 49 1HA GLY 49 14.921 -6.753 -1.163 344 HA3 GLY 49 2HA GLY 49 15.401 -5.984 -2.669 345 H GLU 50 H GLU 50 16.926 -4.434 -2.625 346 HA GLU 50 HA GLU 50 17.867 -3.571 0.029 347 HB2 GLU 50 1HB GLU 50 19.407 -3.859 -2.556 348 HB3 GLU 50 2HB GLU 50 20.073 -3.234 -1.054 349 HG2 GLU 50 1HG GLU 50 19.134 -6.022 -1.644 350 HG3 GLU 50 2HG GLU 50 20.756 -5.483 -1.213 351 H LEU 51 H LEU 51 16.220 -2.514 -2.629 352 HA LEU 51 HA LEU 51 17.254 0.229 -2.443 353 HB2 LEU 51 1HB LEU 51 15.428 -1.020 -4.491 354 HB3 LEU 51 2HB LEU 51 16.012 0.642 -4.517 355 HG LEU 51 HG LEU 51 18.362 -0.408 -4.616 356 HD11 LEU 51 1HD1 LEU 51 16.669 -2.761 -5.439 357 HD12 LEU 51 2HD1 LEU 51 17.767 -2.678 -4.062 358 HD13 LEU 51 3HD1 LEU 51 18.407 -2.621 -5.704 359 HD21 LEU 51 3HD2 LEU 51 17.263 0.796 -6.459 360 HD22 LEU 51 1HD2 LEU 51 16.497 -0.709 -6.968 361 HD23 LEU 51 2HD2 LEU 51 18.252 -0.546 -7.034 362 H GLU 52 H GLU 52 15.691 1.995 -2.410 363 HA GLU 52 HA GLU 52 13.063 1.290 -1.324 364 HB2 GLU 52 1HB GLU 52 14.942 3.281 -0.040 365 HB3 GLU 52 2HB GLU 52 13.293 2.949 0.470 366 HG2 GLU 52 1HG GLU 52 13.835 0.876 1.334 367 HG3 GLU 52 2HG GLU 52 15.302 0.743 0.365 368 H GLY 53 H GLY 53 11.512 2.374 -2.338 369 HA2 GLY 53 1HA GLY 53 12.105 5.073 -3.354 370 HA3 GLY 53 2HA GLY 53 11.413 3.870 -4.432 371 H TRP 54 H TRP 54 10.055 6.157 -4.165 372 HA TRP 54 HA TRP 54 7.962 5.696 -2.166 373 HB2 TRP 54 1HB TRP 54 8.556 8.088 -3.919 374 HB3 TRP 54 2HB TRP 54 7.189 7.985 -2.812 375 HD1 TRP 54 HD TRP 54 10.992 8.385 -2.845 376 HE1 TRP 54 1HE TRP 54 11.756 9.188 -0.523 377 HE3 TRP 54 3HE TRP 54 6.559 7.949 -0.338 378 HZ2 TRP 54 2HZ TRP 54 10.629 9.584 2.035 379 HZ3 TRP 54 3HZ TRP 54 6.487 8.560 2.045 380 HH2 TRP 54 HH TRP 54 8.480 9.360 3.205 381 H ALA 55 H ALA 55 6.434 4.342 -2.868 382 HA ALA 55 HA ALA 55 5.492 4.601 -5.644 383 HB1 ALA 55 3HB ALA 55 5.054 2.362 -5.706 384 HB2 ALA 55 1HB ALA 55 6.401 2.369 -4.567 385 HB3 ALA 55 2HB ALA 55 4.743 2.260 -3.973 386 HA PRO 56 HA PRO 56 1.637 6.196 -4.248 387 HB2 PRO 56 1HB PRO 56 0.053 5.416 -6.310 388 HB3 PRO 56 2HB PRO 56 1.228 6.730 -6.445 389 HG2 PRO 56 1HG PRO 56 1.469 3.877 -7.319 390 HG3 PRO 56 2HG PRO 56 1.960 5.353 -8.170 391 HD2 PRO 56 1HD PRO 56 3.719 3.789 -6.831 392 HD3 PRO 56 2HD PRO 56 3.914 5.549 -6.963 393 H SER 57 H SER 57 0.273 5.447 -2.760 394 HA SER 57 HA SER 57 -0.003 2.782 -2.051 395 HB2 SER 57 1HB SER 57 -1.698 3.476 -0.538 396 HB3 SER 57 2HB SER 57 -0.604 4.851 -0.683 397 HG SER 57 HG SER 57 -2.635 5.664 -0.912 398 H HIS 58 H HIS 58 -1.639 4.596 -4.497 399 HA HIS 58 HA HIS 58 -3.985 3.122 -4.805 400 HB2 HIS 58 1HB HIS 58 -2.392 4.319 -7.074 401 HB3 HIS 58 2HB HIS 58 -4.132 4.054 -7.006 402 HD1 HIS 58 1HD HIS 58 -1.452 6.254 -5.508 403 HD2 HIS 58 2HD HIS 58 -5.583 6.114 -5.920 404 HE1 HIS 58 1HE HIS 58 -2.283 8.486 -4.702 405 HE2 HIS 58 2HE HIS 58 -4.792 8.347 -4.881 406 H TYR 59 H TYR 59 -0.713 2.468 -5.889 407 HA TYR 59 HA TYR 59 -1.481 0.231 -7.530 408 HB2 TYR 59 1HB TYR 59 1.171 1.341 -6.629 409 HB3 TYR 59 2HB TYR 59 1.053 -0.162 -7.537 410 HD1 TYR 59 1HD TYR 59 -0.653 3.153 -7.844 411 HD2 TYR 59 2HD TYR 59 1.733 0.168 -9.715 412 HE1 TYR 59 1HE TYR 59 -0.709 4.433 -9.943 413 HE2 TYR 59 2HE TYR 59 1.685 1.441 -11.819 414 HH TYR 59 HH TYR 59 0.383 3.121 -12.924 415 H LEU 60 H LEU 60 -0.222 0.731 -4.286 416 HA LEU 60 HA LEU 60 0.302 -2.014 -3.741 417 HB2 LEU 60 1HB LEU 60 -0.179 0.297 -1.866 418 HB3 LEU 60 2HB LEU 60 0.426 -1.288 -1.388 419 HG LEU 60 HG LEU 60 1.867 0.555 -3.289 420 HD11 LEU 60 1HD1 LEU 60 1.479 1.021 -0.608 421 HD12 LEU 60 2HD1 LEU 60 2.801 1.653 -1.589 422 HD13 LEU 60 3HD1 LEU 60 3.028 0.179 -0.649 423 HD21 LEU 60 3HD2 LEU 60 2.262 -1.995 -3.250 424 HD22 LEU 60 1HD2 LEU 60 3.042 -1.693 -1.698 425 HD23 LEU 60 2HD2 LEU 60 3.658 -0.920 -3.158 426 H VAL 61 H VAL 61 -0.869 -3.430 -2.368 427 HA VAL 61 HA VAL 61 -3.767 -3.013 -2.516 428 HB VAL 61 HB VAL 61 -2.157 -5.522 -2.031 429 HG11 VAL 61 1HG1 VAL 61 -5.139 -5.344 -2.389 430 HG12 VAL 61 2HG1 VAL 61 -4.178 -6.748 -1.922 431 HG13 VAL 61 3HG1 VAL 61 -4.364 -5.395 -0.806 432 HG21 VAL 61 3HG2 VAL 61 -3.096 -6.205 -4.211 433 HG22 VAL 61 1HG2 VAL 61 -3.824 -4.607 -4.372 434 HG23 VAL 61 2HG2 VAL 61 -2.069 -4.776 -4.331 435 H LEU 62 H LEU 62 -4.281 -1.801 -0.745 436 HA LEU 62 HA LEU 62 -3.357 -2.707 1.884 437 HB2 LEU 62 1HB LEU 62 -4.219 -0.581 2.714 438 HB3 LEU 62 2HB LEU 62 -3.065 -0.351 1.402 439 HG LEU 62 HG LEU 62 -5.967 -0.371 0.738 440 HD11 LEU 62 1HD1 LEU 62 -6.508 1.448 1.885 441 HD12 LEU 62 2HD1 LEU 62 -5.070 2.297 1.319 442 HD13 LEU 62 3HD1 LEU 62 -4.986 1.288 2.763 443 HD21 LEU 62 3HD2 LEU 62 -4.144 1.663 -0.328 444 HD22 LEU 62 1HD2 LEU 62 -5.282 0.606 -1.162 445 HD23 LEU 62 2HD2 LEU 62 -3.691 -0.000 -0.702 446 H ASP 63 H ASP 63 -4.945 -2.731 3.665 447 HA ASP 63 HA ASP 63 -7.132 -4.403 3.059 448 HB2 ASP 63 1HB ASP 63 -7.785 -3.955 5.466 449 HB3 ASP 63 2HB ASP 63 -6.160 -4.589 5.223 450 H GLU 64 H GLU 64 -8.243 -3.173 1.420 451 HA GLU 64 HA GLU 64 -9.801 -0.904 2.455 452 HB2 GLU 64 1HB GLU 64 -8.360 -0.732 0.318 453 HB3 GLU 64 2HB GLU 64 -9.620 -1.695 -0.441 454 HG2 GLU 64 1HG GLU 64 -10.227 0.477 -0.950 455 HG3 GLU 64 2HG GLU 64 -11.236 0.092 0.443 456 H ASN 65 H ASN 65 -12.063 -0.770 1.915 457 HA ASN 65 HA ASN 65 -13.660 -2.771 2.675 458 HB2 ASN 65 1HB ASN 65 -14.372 -0.999 0.330 459 HB3 ASN 65 2HB ASN 65 -15.488 -1.762 1.459 460 HD21 ASN 65 1HD2 ASN 65 -14.154 1.076 0.667 461 HD22 ASN 65 2HD2 ASN 65 -14.190 1.876 2.198 462 H GLU 66 H GLU 66 -12.374 -2.394 -0.595 463 HA GLU 66 HA GLU 66 -13.484 -5.026 -1.294 464 HB2 GLU 66 1HB GLU 66 -13.871 -2.845 -2.700 465 HB3 GLU 66 2HB GLU 66 -12.255 -3.179 -3.305 466 HG2 GLU 66 1HG GLU 66 -13.859 -4.106 -4.815 467 HG3 GLU 66 2HG GLU 66 -13.017 -5.422 -3.999 468 H GLN 67 H GLN 67 -11.786 -6.070 -0.063 469 HA GLN 67 HA GLN 67 -9.185 -6.042 -1.448 470 HB2 GLN 67 1HB GLN 67 -8.203 -6.848 0.665 471 HB3 GLN 67 2HB GLN 67 -8.981 -5.282 0.851 472 HG2 GLN 67 1HG GLN 67 -10.674 -6.117 2.146 473 HG3 GLN 67 2HG GLN 67 -10.540 -7.739 1.466 474 HE21 GLN 67 1HE2 GLN 67 -8.484 -8.892 1.998 475 HE22 GLN 67 2HE2 GLN 67 -7.869 -8.714 3.602 476 HA PRO 68 HA PRO 68 -9.815 -10.229 -2.621 477 HB2 PRO 68 1HB PRO 68 -7.238 -11.069 -2.775 478 HB3 PRO 68 2HB PRO 68 -7.967 -9.985 -3.965 479 HG2 PRO 68 1HG PRO 68 -6.200 -9.331 -1.639 480 HG3 PRO 68 2HG PRO 68 -6.157 -8.689 -3.291 481 HD2 PRO 68 1HD PRO 68 -7.271 -7.332 -1.230 482 HD3 PRO 68 2HD PRO 68 -7.876 -7.206 -2.894 483 H ASP 69 H ASP 69 -8.561 -12.477 -2.036 484 HA ASP 69 HA ASP 69 -8.741 -12.684 0.896 485 HB2 ASP 69 1HB ASP 69 -10.508 -13.954 -0.059 486 HB3 ASP 69 2HB ASP 69 -9.447 -14.645 -1.284 487 HA PRO 70 HA PRO 70 -4.343 -13.621 -0.189 488 HB2 PRO 70 1HB PRO 70 -3.304 -12.307 1.947 489 HB3 PRO 70 2HB PRO 70 -3.694 -11.504 0.422 490 HG2 PRO 70 1HG PRO 70 -5.271 -11.612 2.964 491 HG3 PRO 70 2HG PRO 70 -4.975 -10.233 1.889 492 HD2 PRO 70 1HD PRO 70 -7.290 -11.636 1.853 493 HD3 PRO 70 2HD PRO 70 -6.607 -10.883 0.397 494 H SER 71 H SER 71 -3.099 -15.232 0.671 495 HA SER 71 HA SER 71 -4.278 -16.761 2.840 496 HB2 SER 71 1HB SER 71 -3.569 -17.990 0.870 497 HB3 SER 71 2HB SER 71 -1.935 -17.342 1.013 498 HG SER 71 HG SER 71 -1.562 -18.608 2.731 499 H GLY 72 H GLY 72 -3.690 -16.492 4.882 500 HA2 GLY 72 1HA GLY 72 -1.960 -14.771 5.984 501 HA3 GLY 72 2HA GLY 72 -2.252 -16.348 6.703 502 H LYS 73 H LYS 73 0.060 -14.296 5.412 503 HA LYS 73 HA LYS 73 1.884 -16.176 4.322 504 HB2 LYS 73 1HB LYS 73 1.969 -13.752 3.841 505 HB3 LYS 73 2HB LYS 73 2.441 -13.450 5.508 506 HG2 LYS 73 1HG LYS 73 4.533 -14.497 5.211 507 HG3 LYS 73 2HG LYS 73 4.044 -15.201 3.668 508 HD2 LYS 73 1HD LYS 73 3.831 -12.869 2.774 509 HD3 LYS 73 2HD LYS 73 4.547 -12.292 4.280 510 HE2 LYS 73 1HE LYS 73 6.345 -12.432 2.786 511 HE3 LYS 73 2HE LYS 73 6.473 -13.888 3.772 512 HZ1 LYS 73 3HZ LYS 73 5.062 -13.898 1.175 513 HZ2 LYS 73 1HZ LYS 73 5.678 -15.212 2.045 514 HZ3 LYS 73 2HZ LYS 73 6.734 -14.139 1.273 515 H GLU 74 H GLU 74 3.560 -17.283 5.232 516 HA GLU 74 HA GLU 74 3.455 -18.324 7.717 517 HB2 GLU 74 1HB GLU 74 5.982 -17.628 6.209 518 HB3 GLU 74 2HB GLU 74 5.895 -18.747 7.562 519 HG2 GLU 74 1HG GLU 74 4.134 -19.972 6.109 520 HG3 GLU 74 2HG GLU 74 4.854 -19.058 4.784 521 H SER 75 H SER 75 3.683 -17.647 9.744 522 HA SER 75 HA SER 75 4.139 -14.929 10.361 523 HB2 SER 75 1HB SER 75 4.040 -17.398 12.102 524 HB3 SER 75 2HB SER 75 4.198 -15.765 12.749 525 HG SER 75 HG SER 75 2.050 -16.148 12.732 526 H GLY 76 H GLY 76 6.144 -14.304 9.550 527 HA2 GLY 76 1HA GLY 76 8.471 -15.483 10.941 528 HA3 GLY 76 2HA GLY 76 8.539 -14.870 9.295 529 HA PRO 77 HA PRO 77 9.336 -11.550 12.691 530 HB2 PRO 77 1HB PRO 77 12.021 -11.777 13.024 531 HB3 PRO 77 2HB PRO 77 10.851 -12.638 14.032 532 HG2 PRO 77 1HG PRO 77 12.418 -13.630 11.682 533 HG3 PRO 77 2HG PRO 77 12.092 -14.433 13.229 534 HD2 PRO 77 1HD PRO 77 10.712 -15.006 10.971 535 HD3 PRO 77 2HD PRO 77 9.979 -15.092 12.586 536 H SER 78 H SER 78 11.399 -12.624 10.013 537 HA SER 78 HA SER 78 12.548 -11.466 8.409 538 HB2 SER 78 1HB SER 78 10.058 -9.746 8.535 539 HB3 SER 78 2HB SER 78 11.185 -9.839 7.181 540 HG SER 78 HG SER 78 10.332 -11.682 6.592 541 H SER 79 H SER 79 13.579 -10.802 10.803 542 HA SER 79 HA SER 79 13.596 -7.944 11.188 543 HB2 SER 79 1HB SER 79 15.268 -10.134 12.445 544 HB3 SER 79 2HB SER 79 15.290 -8.441 12.939 545 HG SER 79 HG SER 79 12.850 -8.882 13.102 546 H GLY 80 H GLY 80 15.090 -6.502 10.510 547 HA2 GLY 80 1HA GLY 80 17.536 -7.506 9.230 548 HA3 GLY 80 2HA GLY 80 16.467 -6.461 8.305 Start of MODEL 11 1 H1 GLY 1 H GLY 1 19.192 -5.879 12.065 2 HA2 GLY 1 1HA GLY 1 19.385 -6.865 14.493 3 HA3 GLY 1 2HA GLY 1 20.611 -5.737 13.934 4 H SER 2 H SER 2 19.510 -3.328 14.051 5 HA SER 2 HA SER 2 19.259 -2.890 16.891 6 HB2 SER 2 1HB SER 2 19.497 -1.096 14.491 7 HB3 SER 2 2HB SER 2 19.054 -0.433 16.064 8 HG SER 2 HG SER 2 21.457 -1.613 15.233 9 H SER 3 H SER 3 17.253 -2.252 14.024 10 HA SER 3 HA SER 3 15.056 -1.159 15.377 11 HB2 SER 3 1HB SER 3 15.098 -2.711 12.777 12 HB3 SER 3 2HB SER 3 13.771 -1.694 13.337 13 HG SER 3 HG SER 3 16.346 -0.600 13.156 14 H GLY 4 H GLY 4 14.727 -2.438 17.244 15 HA2 GLY 4 1HA GLY 4 13.927 -5.214 16.907 16 HA3 GLY 4 2HA GLY 4 14.083 -4.349 18.429 17 H SER 5 H SER 5 12.431 -2.289 18.297 18 HA SER 5 HA SER 5 9.832 -3.560 18.292 19 HB2 SER 5 1HB SER 5 10.565 -0.704 18.980 20 HB3 SER 5 2HB SER 5 9.040 -1.512 19.345 21 HG SER 5 HG SER 5 11.597 -1.974 20.447 22 H SER 6 H SER 6 11.029 -3.271 15.723 23 HA SER 6 HA SER 6 9.475 -1.135 14.456 24 HB2 SER 6 1HB SER 6 11.871 -1.323 13.867 25 HB3 SER 6 2HB SER 6 11.581 -2.953 13.260 26 HG SER 6 HG SER 6 11.549 -1.356 11.600 27 H GLY 7 H GLY 7 7.437 -1.743 14.060 28 HA2 GLY 7 1HA GLY 7 7.028 -4.374 12.776 29 HA3 GLY 7 2HA GLY 7 5.881 -3.680 13.912 30 H ALA 8 H ALA 8 7.467 -2.993 10.804 31 HA ALA 8 HA ALA 8 5.521 -1.076 9.995 32 HB1 ALA 8 3HB ALA 8 7.391 -0.680 8.796 33 HB2 ALA 8 1HB ALA 8 7.877 -2.376 8.789 34 HB3 ALA 8 2HB ALA 8 6.645 -1.806 7.662 35 H THR 9 H THR 9 4.671 -1.603 7.544 36 HA THR 9 HA THR 9 3.170 -4.132 7.750 37 HB THR 9 HB THR 9 2.093 -1.527 6.653 38 HG1 THR 9 1HG THR 9 0.955 -1.384 8.558 39 HG21 THR 9 3HG2 THR 9 0.030 -3.315 7.288 40 HG22 THR 9 1HG2 THR 9 1.237 -4.268 6.426 41 HG23 THR 9 2HG2 THR 9 0.559 -2.820 5.680 42 H SER 10 H SER 10 3.377 -5.440 6.058 43 HA SER 10 HA SER 10 4.689 -4.428 3.651 44 HB2 SER 10 1HB SER 10 5.333 -6.592 4.989 45 HB3 SER 10 2HB SER 10 4.011 -7.318 4.076 46 HG SER 10 HG SER 10 6.349 -6.079 3.060 47 H TYR 11 H TYR 11 3.754 -4.355 1.678 48 HA TYR 11 HA TYR 11 0.952 -5.250 1.487 49 HB2 TYR 11 1HB TYR 11 2.268 -2.842 0.215 50 HB3 TYR 11 2HB TYR 11 0.635 -3.390 -0.148 51 HD1 TYR 11 2HD TYR 11 2.727 -2.490 2.819 52 HD2 TYR 11 1HD TYR 11 -1.106 -2.380 0.976 53 HE1 TYR 11 2HE TYR 11 1.868 -1.157 4.699 54 HE2 TYR 11 1HE TYR 11 -1.976 -1.045 2.851 55 HH TYR 11 HH TYR 11 -0.735 0.629 4.647 56 H MET 12 H MET 12 0.243 -5.600 -0.822 57 HA MET 12 HA MET 12 2.394 -6.970 -2.296 58 HB2 MET 12 1HB MET 12 -0.543 -7.583 -2.029 59 HB3 MET 12 2HB MET 12 0.440 -8.279 -3.310 60 HG2 MET 12 1HG MET 12 0.882 -8.606 -0.351 61 HG3 MET 12 2HG MET 12 0.220 -9.814 -1.450 62 HE1 MET 12 3HE MET 12 2.745 -9.788 -4.085 63 HE2 MET 12 1HE MET 12 2.785 -11.357 -3.279 64 HE3 MET 12 2HE MET 12 1.254 -10.503 -3.469 65 H THR 13 H THR 13 2.849 -6.328 -4.307 66 HA THR 13 HA THR 13 1.469 -4.051 -5.404 67 HB THR 13 HB THR 13 3.172 -3.964 -7.062 68 HG1 THR 13 1HG THR 13 4.228 -5.697 -7.745 69 HG21 THR 13 3HG2 THR 13 5.199 -4.802 -5.347 70 HG22 THR 13 1HG2 THR 13 3.867 -4.363 -4.279 71 HG23 THR 13 2HG2 THR 13 4.493 -3.189 -5.436 72 H CYS 14 H CYS 14 -0.391 -4.310 -6.451 73 HA CYS 14 HA CYS 14 -0.987 -6.784 -7.841 74 HB2 CYS 14 1HB CYS 14 -2.732 -5.722 -6.489 75 HB3 CYS 14 2HB CYS 14 -2.633 -4.271 -7.479 76 HG CYS 14 HG CYS 14 -3.205 -6.332 -9.734 77 H SER 15 H SER 15 0.488 -3.873 -8.593 78 HA SER 15 HA SER 15 0.393 -4.481 -11.427 79 HB2 SER 15 1HB SER 15 -0.926 -2.099 -10.217 80 HB3 SER 15 2HB SER 15 -0.048 -1.863 -11.728 81 HG SER 15 HG SER 15 -1.830 -2.578 -12.589 82 H ALA 16 H ALA 16 2.118 -3.615 -12.593 83 HA ALA 16 HA ALA 16 4.457 -3.050 -11.057 84 HB1 ALA 16 3HB ALA 16 3.933 -3.098 -14.020 85 HB2 ALA 16 1HB ALA 16 5.516 -2.756 -13.322 86 HB3 ALA 16 2HB ALA 16 4.747 -4.318 -13.040 87 H TYR 17 H TYR 17 5.345 -1.151 -10.529 88 HA TYR 17 HA TYR 17 4.027 1.287 -11.497 89 HB2 TYR 17 1HB TYR 17 3.937 1.361 -9.180 90 HB3 TYR 17 2HB TYR 17 5.505 0.584 -8.989 91 HD1 TYR 17 1HD TYR 17 3.793 3.761 -9.710 92 HD2 TYR 17 2HD TYR 17 7.533 1.870 -8.977 93 HE1 TYR 17 1HE TYR 17 4.837 5.964 -9.390 94 HE2 TYR 17 2HE TYR 17 8.588 4.068 -8.653 95 HH TYR 17 HH TYR 17 8.318 6.279 -8.796 96 H GLN 18 H GLN 18 5.179 2.983 -12.372 97 HA GLN 18 HA GLN 18 7.915 2.323 -13.222 98 HB2 GLN 18 1HB GLN 18 5.915 2.834 -14.862 99 HB3 GLN 18 2HB GLN 18 6.318 4.506 -14.493 100 HG2 GLN 18 1HG GLN 18 8.757 3.655 -15.073 101 HG3 GLN 18 2HG GLN 18 7.845 2.474 -16.013 102 HE21 GLN 18 1HE2 GLN 18 9.320 5.390 -16.150 103 HE22 GLN 18 2HE2 GLN 18 8.472 6.089 -17.483 104 H LYS 19 H LYS 19 9.516 3.388 -12.285 105 HA LYS 19 HA LYS 19 9.001 5.671 -10.609 106 HB2 LYS 19 1HB LYS 19 11.402 5.557 -10.095 107 HB3 LYS 19 2HB LYS 19 10.626 3.989 -9.915 108 HG2 LYS 19 1HG LYS 19 12.483 3.344 -11.040 109 HG3 LYS 19 2HG LYS 19 11.443 3.710 -12.418 110 HD2 LYS 19 1HD LYS 19 13.309 4.878 -13.028 111 HD3 LYS 19 2HD LYS 19 12.477 6.125 -12.096 112 HE2 LYS 19 1HE LYS 19 14.536 6.264 -11.132 113 HE3 LYS 19 2HE LYS 19 13.831 5.014 -10.107 114 HZ1 LYS 19 3HZ LYS 19 14.849 3.379 -11.715 115 HZ2 LYS 19 1HZ LYS 19 15.933 4.225 -10.729 116 HZ3 LYS 19 2HZ LYS 19 15.735 4.674 -12.347 117 H VAL 20 H VAL 20 9.282 7.763 -11.081 118 HA VAL 20 HA VAL 20 10.254 8.439 -13.763 119 HB VAL 20 HB VAL 20 8.014 9.264 -13.096 120 HG11 VAL 20 1HG1 VAL 20 7.663 10.137 -11.087 121 HG12 VAL 20 2HG1 VAL 20 9.380 9.969 -10.715 122 HG13 VAL 20 3HG1 VAL 20 8.778 11.454 -11.454 123 HG21 VAL 20 3HG2 VAL 20 10.034 11.469 -13.492 124 HG22 VAL 20 1HG2 VAL 20 9.385 10.444 -14.772 125 HG23 VAL 20 2HG2 VAL 20 8.317 11.533 -13.887 126 H GLN 21 H GLN 21 10.966 8.852 -10.388 127 HA GLN 21 HA GLN 21 13.187 10.659 -11.068 128 HB2 GLN 21 1HB GLN 21 11.654 10.242 -8.509 129 HB3 GLN 21 2HB GLN 21 13.198 11.082 -8.546 130 HG2 GLN 21 1HG GLN 21 11.064 11.978 -10.406 131 HG3 GLN 21 2HG GLN 21 10.912 12.375 -8.695 132 HE21 GLN 21 1HE2 GLN 21 11.754 13.705 -11.437 133 HE22 GLN 21 2HE2 GLN 21 13.051 14.735 -10.943 134 H ASP 22 H ASP 22 15.135 10.384 -9.604 135 HA ASP 22 HA ASP 22 16.067 7.694 -9.849 136 HB2 ASP 22 1HB ASP 22 17.368 10.066 -8.493 137 HB3 ASP 22 2HB ASP 22 18.168 8.558 -8.925 138 H SER 23 H SER 23 14.872 9.687 -7.236 139 HA SER 23 HA SER 23 15.759 8.086 -5.086 140 HB2 SER 23 1HB SER 23 13.458 10.032 -5.325 141 HB3 SER 23 2HB SER 23 13.914 9.253 -3.810 142 HG SER 23 HG SER 23 15.235 11.225 -5.275 143 H GLU 24 H GLU 24 12.810 8.065 -7.027 144 HA GLU 24 HA GLU 24 11.535 6.021 -5.484 145 HB2 GLU 24 1HB GLU 24 10.963 7.159 -8.221 146 HB3 GLU 24 2HB GLU 24 9.967 5.924 -7.462 147 HG2 GLU 24 1HG GLU 24 9.172 7.367 -5.846 148 HG3 GLU 24 2HG GLU 24 10.527 8.480 -6.026 149 H ILE 25 H ILE 25 10.781 3.965 -6.615 150 HA ILE 25 HA ILE 25 12.799 2.864 -8.425 151 HB ILE 25 HB ILE 25 13.751 2.021 -6.500 152 HG12 ILE 25 1HG1 ILE 25 12.794 0.229 -8.134 153 HG13 ILE 25 2HG1 ILE 25 13.443 -0.284 -6.580 154 HG21 ILE 25 1HG2 ILE 25 11.940 0.937 -4.781 155 HG22 ILE 25 2HG2 ILE 25 12.622 2.556 -4.639 156 HG23 ILE 25 3HG2 ILE 25 11.051 2.326 -5.406 157 HD11 ILE 25 3HD1 ILE 25 11.485 -1.102 -5.929 158 HD12 ILE 25 1HD1 ILE 25 10.613 0.338 -6.453 159 HD13 ILE 25 2HD1 ILE 25 10.985 -0.938 -7.612 160 H SER 26 H SER 26 12.035 1.352 -9.835 161 HA SER 26 HA SER 26 9.139 0.994 -9.878 162 HB2 SER 26 1HB SER 26 9.353 0.468 -12.175 163 HB3 SER 26 2HB SER 26 10.517 1.764 -11.900 164 HG SER 26 HG SER 26 12.158 0.334 -12.020 165 H PHE 27 H PHE 27 8.131 -0.898 -9.540 166 HA PHE 27 HA PHE 27 9.792 -3.313 -9.256 167 HB2 PHE 27 1HB PHE 27 8.015 -3.977 -7.493 168 HB3 PHE 27 2HB PHE 27 9.261 -2.821 -7.033 169 HD1 PHE 27 2HD PHE 27 8.725 -0.471 -6.716 170 HD2 PHE 27 1HD PHE 27 5.717 -3.313 -7.714 171 HE1 PHE 27 2HE PHE 27 6.987 1.139 -6.052 172 HE2 PHE 27 1HE PHE 27 3.975 -1.707 -7.052 173 HZ PHE 27 HZ PHE 27 4.609 0.522 -6.219 174 HA PRO 28 HA PRO 28 7.028 -5.327 -12.008 175 HB2 PRO 28 1HB PRO 28 7.128 -7.873 -11.073 176 HB3 PRO 28 2HB PRO 28 8.466 -7.117 -11.947 177 HG2 PRO 28 1HG PRO 28 8.095 -7.482 -8.999 178 HG3 PRO 28 2HG PRO 28 9.553 -7.716 -9.980 179 HD2 PRO 28 1HD PRO 28 9.136 -5.489 -8.497 180 HD3 PRO 28 2HD PRO 28 10.034 -5.462 -10.029 181 H ALA 29 H ALA 29 5.062 -6.738 -12.075 182 HA ALA 29 HA ALA 29 3.254 -5.965 -9.913 183 HB1 ALA 29 3HB ALA 29 2.463 -7.280 -12.496 184 HB2 ALA 29 1HB ALA 29 1.474 -6.302 -11.411 185 HB3 ALA 29 2HB ALA 29 2.748 -5.544 -12.368 186 H GLY 30 H GLY 30 3.413 -7.397 -8.266 187 HA2 GLY 30 1HA GLY 30 2.188 -9.534 -7.689 188 HA3 GLY 30 2HA GLY 30 3.185 -10.263 -8.939 189 H VAL 31 H VAL 31 4.363 -7.823 -6.720 190 HA VAL 31 HA VAL 31 5.921 -9.897 -5.322 191 HB VAL 31 HB VAL 31 7.791 -8.239 -5.170 192 HG11 VAL 31 1HG1 VAL 31 7.021 -9.040 -7.974 193 HG12 VAL 31 2HG1 VAL 31 8.648 -8.676 -7.395 194 HG13 VAL 31 3HG1 VAL 31 7.791 -10.094 -6.789 195 HG21 VAL 31 3HG2 VAL 31 5.928 -6.702 -6.926 196 HG22 VAL 31 1HG2 VAL 31 6.920 -6.145 -5.578 197 HG23 VAL 31 2HG2 VAL 31 7.670 -6.517 -7.130 198 H GLU 32 H GLU 32 6.866 -9.061 -3.235 199 HA GLU 32 HA GLU 32 4.832 -7.443 -1.864 200 HB2 GLU 32 1HB GLU 32 5.039 -9.631 -0.906 201 HB3 GLU 32 2HB GLU 32 6.791 -9.496 -0.836 202 HG2 GLU 32 1HG GLU 32 6.369 -7.508 0.733 203 HG3 GLU 32 2HG GLU 32 4.734 -8.153 0.870 204 H VAL 33 H VAL 33 5.375 -5.668 -0.660 205 HA VAL 33 HA VAL 33 8.207 -4.903 -0.538 206 HB VAL 33 HB VAL 33 7.540 -2.542 -1.075 207 HG11 VAL 33 1HG1 VAL 33 7.096 -3.188 -3.604 208 HG12 VAL 33 2HG1 VAL 33 8.662 -3.461 -2.837 209 HG13 VAL 33 3HG1 VAL 33 7.520 -4.794 -3.012 210 HG21 VAL 33 3HG2 VAL 33 5.215 -2.509 -0.727 211 HG22 VAL 33 1HG2 VAL 33 5.417 -2.379 -2.474 212 HG23 VAL 33 2HG2 VAL 33 4.956 -3.920 -1.752 213 H GLN 34 H GLN 34 8.783 -3.612 1.208 214 HA GLN 34 HA GLN 34 6.853 -3.618 3.399 215 HB2 GLN 34 1HB GLN 34 9.162 -4.556 3.692 216 HB3 GLN 34 2HB GLN 34 9.792 -2.926 3.489 217 HG2 GLN 34 1HG GLN 34 8.697 -2.180 5.475 218 HG3 GLN 34 2HG GLN 34 7.832 -3.708 5.630 219 HE21 GLN 34 1HE2 GLN 34 11.153 -2.488 5.359 220 HE22 GLN 34 2HE2 GLN 34 11.826 -3.566 6.529 221 H VAL 35 H VAL 35 5.829 -1.847 4.049 222 HA VAL 35 HA VAL 35 6.477 0.704 2.822 223 HB VAL 35 HB VAL 35 4.201 -0.168 4.600 224 HG11 VAL 35 1HG1 VAL 35 3.797 1.953 5.114 225 HG12 VAL 35 2HG1 VAL 35 5.218 2.465 4.200 226 HG13 VAL 35 3HG1 VAL 35 3.652 2.332 3.398 227 HG21 VAL 35 3HG2 VAL 35 4.348 -0.861 2.142 228 HG22 VAL 35 1HG2 VAL 35 2.860 -0.084 2.681 229 HG23 VAL 35 2HG2 VAL 35 4.058 0.839 1.774 230 H LEU 36 H LEU 36 8.155 1.721 3.751 231 HA LEU 36 HA LEU 36 8.826 1.541 6.497 232 HB2 LEU 36 1HB LEU 36 9.630 3.645 4.493 233 HB3 LEU 36 2HB LEU 36 10.422 3.317 6.033 234 HG LEU 36 HG LEU 36 10.329 1.459 3.657 235 HD11 LEU 36 1HD1 LEU 36 11.882 2.990 2.996 236 HD12 LEU 36 2HD1 LEU 36 12.906 1.937 3.972 237 HD13 LEU 36 3HD1 LEU 36 12.299 3.449 4.647 238 HD21 LEU 36 3HD2 LEU 36 11.769 0.013 4.904 239 HD22 LEU 36 1HD2 LEU 36 10.341 0.339 5.887 240 HD23 LEU 36 2HD2 LEU 36 11.859 1.165 6.237 241 H GLU 37 H GLU 37 7.652 4.363 4.649 242 HA GLU 37 HA GLU 37 6.080 5.163 6.989 243 HB2 GLU 37 1HB GLU 37 8.284 6.373 6.980 244 HB3 GLU 37 2HB GLU 37 7.815 7.097 5.448 245 HG2 GLU 37 1HG GLU 37 6.035 8.287 6.445 246 HG3 GLU 37 2HG GLU 37 6.169 7.369 7.944 247 H LYS 38 H LYS 38 4.575 7.014 6.414 248 HA LYS 38 HA LYS 38 3.676 6.786 3.619 249 HB2 LYS 38 1HB LYS 38 1.960 6.810 6.107 250 HB3 LYS 38 2HB LYS 38 1.336 6.937 4.468 251 HG2 LYS 38 1HG LYS 38 2.129 4.730 3.939 252 HG3 LYS 38 2HG LYS 38 2.929 4.603 5.507 253 HD2 LYS 38 1HD LYS 38 0.777 4.703 6.636 254 HD3 LYS 38 2HD LYS 38 -0.045 4.908 5.087 255 HE2 LYS 38 1HE LYS 38 0.244 2.720 4.491 256 HE3 LYS 38 2HE LYS 38 1.729 2.548 5.425 257 HZ1 LYS 38 3HZ LYS 38 -0.072 1.284 6.407 258 HZ2 LYS 38 1HZ LYS 38 -1.017 2.680 6.547 259 HZ3 LYS 38 2HZ LYS 38 0.405 2.528 7.450 260 H GLN 39 H GLN 39 2.814 8.629 2.678 261 HA GLN 39 HA GLN 39 3.220 11.110 4.211 262 HB2 GLN 39 1HB GLN 39 3.482 10.566 1.254 263 HB3 GLN 39 2HB GLN 39 3.490 12.183 1.944 264 HG2 GLN 39 1HG GLN 39 5.406 10.147 2.973 265 HG3 GLN 39 2HG GLN 39 5.723 10.941 1.431 266 HE21 GLN 39 1HE2 GLN 39 5.630 13.341 1.474 267 HE22 GLN 39 2HE2 GLN 39 6.265 14.143 2.866 268 H GLU 40 H GLU 40 1.511 12.362 4.585 269 HA GLU 40 HA GLU 40 -1.083 11.719 4.283 270 HB2 GLU 40 1HB GLU 40 -0.178 13.731 5.479 271 HB3 GLU 40 2HB GLU 40 -0.078 14.545 3.924 272 HG2 GLU 40 1HG GLU 40 -2.562 14.079 3.691 273 HG3 GLU 40 2HG GLU 40 -2.530 13.648 5.400 274 H SER 41 H SER 41 0.930 13.256 1.831 275 HA SER 41 HA SER 41 -0.985 13.955 -0.037 276 HB2 SER 41 1HB SER 41 1.520 14.393 -0.128 277 HB3 SER 41 2HB SER 41 1.691 12.759 -0.768 278 HG SER 41 HG SER 41 0.877 15.029 -2.018 279 H GLY 42 H GLY 42 0.676 10.832 0.341 280 HA2 GLY 42 1HA GLY 42 -1.136 8.992 0.007 281 HA3 GLY 42 2HA GLY 42 -1.165 9.654 -1.620 282 H TRP 43 H TRP 43 1.863 10.163 -1.118 283 HA TRP 43 HA TRP 43 2.696 7.670 -2.326 284 HB2 TRP 43 1HB TRP 43 4.137 10.256 -1.734 285 HB3 TRP 43 2HB TRP 43 4.943 8.850 -2.424 286 HD1 TRP 43 HD TRP 43 2.259 11.468 -3.285 287 HE1 TRP 43 1HE TRP 43 2.013 11.564 -5.846 288 HE3 TRP 43 3HE TRP 43 5.301 7.555 -4.539 289 HZ2 TRP 43 2HZ TRP 43 2.981 10.165 -8.099 290 HZ3 TRP 43 3HZ TRP 43 5.587 6.999 -6.919 291 HH2 TRP 43 HH TRP 43 4.450 8.278 -8.660 292 H TRP 44 H TRP 44 3.526 6.001 -1.266 293 HA TRP 44 HA TRP 44 4.509 6.437 1.475 294 HB2 TRP 44 1HB TRP 44 3.523 3.838 0.286 295 HB3 TRP 44 2HB TRP 44 3.882 4.167 1.979 296 HD1 TRP 44 HD TRP 44 2.226 7.147 1.482 297 HE1 TRP 44 1HE TRP 44 -0.326 7.017 1.796 298 HE3 TRP 44 3HE TRP 44 1.611 2.090 1.050 299 HZ2 TRP 44 2HZ TRP 44 -2.333 5.033 1.854 300 HZ3 TRP 44 3HZ TRP 44 -0.657 1.156 1.248 301 HH2 TRP 44 HH TRP 44 -2.586 2.599 1.642 302 H TYR 45 H TYR 45 6.491 5.680 2.082 303 HA TYR 45 HA TYR 45 8.349 5.093 -0.048 304 HB2 TYR 45 1HB TYR 45 8.744 6.569 2.052 305 HB3 TYR 45 2HB TYR 45 9.042 5.042 2.876 306 HD1 TYR 45 1HD TYR 45 9.979 6.187 -0.551 307 HD2 TYR 45 2HD TYR 45 11.321 4.929 3.285 308 HE1 TYR 45 1HE TYR 45 12.300 6.209 -1.363 309 HE2 TYR 45 2HE TYR 45 13.646 4.949 2.485 310 HH TYR 45 HH TYR 45 14.552 6.358 -0.499 311 H VAL 46 H VAL 46 8.359 3.083 -0.829 312 HA VAL 46 HA VAL 46 8.104 0.826 1.035 313 HB VAL 46 HB VAL 46 7.983 -0.433 -1.286 314 HG11 VAL 46 1HG1 VAL 46 5.492 -0.038 -1.260 315 HG12 VAL 46 2HG1 VAL 46 6.200 -0.553 0.272 316 HG13 VAL 46 3HG1 VAL 46 5.775 1.140 0.020 317 HG21 VAL 46 3HG2 VAL 46 7.202 0.787 -3.101 318 HG22 VAL 46 1HG2 VAL 46 6.731 2.161 -2.101 319 HG23 VAL 46 2HG2 VAL 46 8.436 1.847 -2.421 320 H ARG 47 H ARG 47 9.387 -1.171 0.285 321 HA ARG 47 HA ARG 47 12.067 -0.387 -0.634 322 HB2 ARG 47 1HB ARG 47 12.257 -0.537 1.751 323 HB3 ARG 47 2HB ARG 47 11.381 -2.061 1.781 324 HG2 ARG 47 1HG ARG 47 13.223 -3.149 0.606 325 HG3 ARG 47 2HG ARG 47 14.101 -1.619 0.569 326 HD2 ARG 47 1HD ARG 47 13.272 -3.149 3.033 327 HD3 ARG 47 2HD ARG 47 14.905 -3.031 2.380 328 HE ARG 47 HE ARG 47 13.860 -0.454 2.900 329 HH11 ARG 47 1HH1 ARG 47 15.131 -3.271 4.503 330 HH12 ARG 47 2HH1 ARG 47 15.715 -2.388 5.874 331 HH21 ARG 47 1HH2 ARG 47 14.626 0.720 4.700 332 HH22 ARG 47 2HH2 ARG 47 15.427 -0.118 5.985 333 H PHE 48 H PHE 48 12.813 -1.626 -2.225 334 HA PHE 48 HA PHE 48 11.609 -4.290 -2.600 335 HB2 PHE 48 1HB PHE 48 10.909 -2.612 -4.314 336 HB3 PHE 48 2HB PHE 48 12.598 -2.443 -4.781 337 HD1 PHE 48 2HD PHE 48 10.345 -5.338 -4.081 338 HD2 PHE 48 1HD PHE 48 13.044 -3.457 -6.781 339 HE1 PHE 48 2HE PHE 48 10.098 -7.227 -5.637 340 HE2 PHE 48 1HE PHE 48 12.801 -5.343 -8.342 341 HZ PHE 48 HZ PHE 48 11.328 -7.232 -7.771 342 H GLY 49 H GLY 49 13.226 -5.437 -1.568 343 HA2 GLY 49 1HA GLY 49 15.155 -6.706 -1.600 344 HA3 GLY 49 2HA GLY 49 15.572 -5.956 -3.134 345 H GLU 50 H GLU 50 17.016 -4.301 -3.181 346 HA GLU 50 HA GLU 50 18.089 -3.424 -0.580 347 HB2 GLU 50 1HB GLU 50 19.599 -4.927 -1.911 348 HB3 GLU 50 2HB GLU 50 19.644 -3.686 -3.155 349 HG2 GLU 50 1HG GLU 50 20.824 -2.199 -1.799 350 HG3 GLU 50 2HG GLU 50 20.428 -3.087 -0.329 351 H LEU 51 H LEU 51 15.970 -2.147 -2.039 352 HA LEU 51 HA LEU 51 17.164 0.492 -2.289 353 HB2 LEU 51 1HB LEU 51 15.441 -0.667 -4.473 354 HB3 LEU 51 2HB LEU 51 16.105 0.964 -4.419 355 HG LEU 51 HG LEU 51 17.844 -1.490 -4.520 356 HD11 LEU 51 1HD1 LEU 51 16.426 -1.541 -6.479 357 HD12 LEU 51 2HD1 LEU 51 18.060 -1.060 -6.932 358 HD13 LEU 51 3HD1 LEU 51 16.785 0.152 -6.816 359 HD21 LEU 51 3HD2 LEU 51 19.522 0.084 -5.309 360 HD22 LEU 51 1HD2 LEU 51 18.884 0.590 -3.744 361 HD23 LEU 51 2HD2 LEU 51 18.352 1.402 -5.216 362 H GLU 52 H GLU 52 15.547 2.217 -2.304 363 HA GLU 52 HA GLU 52 12.883 1.413 -1.394 364 HB2 GLU 52 1HB GLU 52 14.754 3.255 0.097 365 HB3 GLU 52 2HB GLU 52 13.027 3.167 0.413 366 HG2 GLU 52 1HG GLU 52 13.794 1.740 2.006 367 HG3 GLU 52 2HG GLU 52 13.536 0.605 0.683 368 H GLY 53 H GLY 53 11.358 2.520 -2.428 369 HA2 GLY 53 1HA GLY 53 11.954 5.261 -3.318 370 HA3 GLY 53 2HA GLY 53 11.342 4.088 -4.475 371 H TRP 54 H TRP 54 10.032 6.485 -3.957 372 HA TRP 54 HA TRP 54 7.845 5.919 -2.135 373 HB2 TRP 54 1HB TRP 54 8.398 8.285 -3.938 374 HB3 TRP 54 2HB TRP 54 7.028 8.170 -2.836 375 HD1 TRP 54 HD TRP 54 10.767 8.840 -2.904 376 HE1 TRP 54 1HE TRP 54 11.515 9.656 -0.580 377 HE3 TRP 54 3HE TRP 54 6.457 7.947 -0.304 378 HZ2 TRP 54 2HZ TRP 54 10.423 9.889 2.012 379 HZ3 TRP 54 3HZ TRP 54 6.391 8.494 2.094 380 HH2 TRP 54 HH TRP 54 8.334 9.444 3.227 381 H ALA 55 H ALA 55 6.320 4.560 -2.813 382 HA ALA 55 HA ALA 55 5.465 4.685 -5.627 383 HB1 ALA 55 3HB ALA 55 6.364 2.510 -4.721 384 HB2 ALA 55 1HB ALA 55 4.923 2.434 -3.706 385 HB3 ALA 55 2HB ALA 55 4.766 2.428 -5.464 386 HA PRO 56 HA PRO 56 1.580 6.352 -4.399 387 HB2 PRO 56 1HB PRO 56 0.078 5.552 -6.515 388 HB3 PRO 56 2HB PRO 56 1.266 6.857 -6.619 389 HG2 PRO 56 1HG PRO 56 1.524 3.991 -7.443 390 HG3 PRO 56 2HG PRO 56 2.060 5.452 -8.293 391 HD2 PRO 56 1HD PRO 56 3.751 3.897 -6.861 392 HD3 PRO 56 2HD PRO 56 3.963 5.654 -7.008 393 H SER 57 H SER 57 0.147 5.634 -2.962 394 HA SER 57 HA SER 57 -0.180 2.961 -2.259 395 HB2 SER 57 1HB SER 57 -1.903 3.687 -0.782 396 HB3 SER 57 2HB SER 57 -0.749 5.018 -0.873 397 HG SER 57 HG SER 57 -2.938 5.707 -1.087 398 H HIS 58 H HIS 58 -1.427 4.612 -4.922 399 HA HIS 58 HA HIS 58 -3.919 3.309 -5.239 400 HB2 HIS 58 1HB HIS 58 -2.183 4.341 -7.481 401 HB3 HIS 58 2HB HIS 58 -3.938 4.200 -7.451 402 HD1 HIS 58 1HD HIS 58 -1.405 6.657 -7.188 403 HD2 HIS 58 2HD HIS 58 -5.007 5.990 -5.228 404 HE1 HIS 58 1HE HIS 58 -2.031 8.866 -6.162 405 HE2 HIS 58 2HE HIS 58 -4.170 8.417 -4.911 406 H TYR 59 H TYR 59 -0.633 2.462 -6.103 407 HA TYR 59 HA TYR 59 -1.449 0.192 -7.698 408 HB2 TYR 59 1HB TYR 59 1.239 1.225 -6.799 409 HB3 TYR 59 2HB TYR 59 1.053 -0.272 -7.706 410 HD1 TYR 59 1HD TYR 59 -0.388 3.173 -7.990 411 HD2 TYR 59 2HD TYR 59 1.650 -0.028 -9.914 412 HE1 TYR 59 1HE TYR 59 -0.375 4.452 -10.091 413 HE2 TYR 59 2HE TYR 59 1.670 1.242 -12.020 414 HH TYR 59 HH TYR 59 1.488 4.110 -12.440 415 H LEU 60 H LEU 60 -0.138 0.796 -4.483 416 HA LEU 60 HA LEU 60 0.223 -1.955 -3.820 417 HB2 LEU 60 1HB LEU 60 -0.051 0.442 -2.013 418 HB3 LEU 60 2HB LEU 60 0.535 -1.149 -1.535 419 HG LEU 60 HG LEU 60 1.907 0.672 -3.511 420 HD11 LEU 60 1HD1 LEU 60 2.919 1.695 -1.823 421 HD12 LEU 60 2HD1 LEU 60 3.337 0.158 -1.068 422 HD13 LEU 60 3HD1 LEU 60 1.777 0.908 -0.732 423 HD21 LEU 60 3HD2 LEU 60 2.314 -2.103 -2.644 424 HD22 LEU 60 1HD2 LEU 60 3.760 -1.094 -2.610 425 HD23 LEU 60 2HD2 LEU 60 2.848 -1.277 -4.109 426 H VAL 61 H VAL 61 -1.124 -3.367 -2.832 427 HA VAL 61 HA VAL 61 -3.928 -2.582 -2.622 428 HB VAL 61 HB VAL 61 -3.380 -4.627 -3.878 429 HG11 VAL 61 1HG1 VAL 61 -1.578 -5.100 -1.843 430 HG12 VAL 61 2HG1 VAL 61 -2.841 -6.300 -1.565 431 HG13 VAL 61 3HG1 VAL 61 -2.020 -6.226 -3.125 432 HG21 VAL 61 3HG2 VAL 61 -5.471 -5.116 -3.287 433 HG22 VAL 61 1HG2 VAL 61 -4.793 -6.103 -1.992 434 HG23 VAL 61 2HG2 VAL 61 -5.246 -4.428 -1.679 435 H LEU 62 H LEU 62 -4.901 -2.209 -0.742 436 HA LEU 62 HA LEU 62 -3.441 -2.764 1.729 437 HB2 LEU 62 1HB LEU 62 -6.027 -1.285 1.662 438 HB3 LEU 62 2HB LEU 62 -4.640 -1.074 2.728 439 HG LEU 62 HG LEU 62 -4.689 0.862 1.420 440 HD11 LEU 62 1HD1 LEU 62 -2.703 -1.153 0.477 441 HD12 LEU 62 2HD1 LEU 62 -2.461 0.297 1.451 442 HD13 LEU 62 3HD1 LEU 62 -2.757 0.439 -0.281 443 HD21 LEU 62 3HD2 LEU 62 -4.609 -0.268 -1.253 444 HD22 LEU 62 1HD2 LEU 62 -5.621 1.019 -0.597 445 HD23 LEU 62 2HD2 LEU 62 -6.098 -0.667 -0.397 446 H ASP 63 H ASP 63 -3.801 -4.832 2.326 447 HA ASP 63 HA ASP 63 -4.956 -6.802 2.699 448 HB2 ASP 63 1HB ASP 63 -5.197 -5.115 4.711 449 HB3 ASP 63 2HB ASP 63 -6.896 -5.133 4.247 450 H GLU 64 H GLU 64 -5.830 -5.510 0.272 451 HA GLU 64 HA GLU 64 -8.720 -5.973 0.263 452 HB2 GLU 64 1HB GLU 64 -7.417 -3.945 -0.833 453 HB3 GLU 64 2HB GLU 64 -7.231 -5.078 -2.164 454 HG2 GLU 64 1HG GLU 64 -9.596 -5.283 -2.413 455 HG3 GLU 64 2HG GLU 64 -9.881 -4.351 -0.944 456 H ASN 65 H ASN 65 -9.638 -7.170 -1.602 457 HA ASN 65 HA ASN 65 -9.018 -9.773 -1.714 458 HB2 ASN 65 1HB ASN 65 -9.792 -8.328 -4.246 459 HB3 ASN 65 2HB ASN 65 -10.233 -9.958 -3.747 460 HD21 ASN 65 1HD2 ASN 65 -11.465 -7.033 -4.199 461 HD22 ASN 65 2HD2 ASN 65 -12.714 -7.017 -3.005 462 H GLU 66 H GLU 66 -6.974 -10.522 -1.794 463 HA GLU 66 HA GLU 66 -5.507 -10.117 -4.294 464 HB2 GLU 66 1HB GLU 66 -4.739 -8.639 -2.235 465 HB3 GLU 66 2HB GLU 66 -3.933 -10.127 -1.760 466 HG2 GLU 66 1HG GLU 66 -3.574 -9.088 -4.529 467 HG3 GLU 66 2HG GLU 66 -2.690 -8.346 -3.196 468 H GLN 67 H GLN 67 -4.605 -11.934 -5.069 469 HA GLN 67 HA GLN 67 -5.295 -14.438 -4.356 470 HB2 GLN 67 1HB GLN 67 -2.690 -13.491 -5.543 471 HB3 GLN 67 2HB GLN 67 -3.094 -15.195 -5.387 472 HG2 GLN 67 1HG GLN 67 -4.569 -13.125 -6.995 473 HG3 GLN 67 2HG GLN 67 -3.596 -14.460 -7.611 474 HE21 GLN 67 1HE2 GLN 67 -6.641 -13.476 -7.264 475 HE22 GLN 67 2HE2 GLN 67 -7.453 -14.993 -7.103 476 HA PRO 68 HA PRO 68 -3.446 -15.417 -0.486 477 HB2 PRO 68 1HB PRO 68 -3.424 -18.125 -0.684 478 HB3 PRO 68 2HB PRO 68 -4.901 -17.194 -0.410 479 HG2 PRO 68 1HG PRO 68 -3.834 -18.347 -2.958 480 HG3 PRO 68 2HG PRO 68 -5.498 -18.340 -2.343 481 HD2 PRO 68 1HD PRO 68 -4.634 -16.598 -4.227 482 HD3 PRO 68 2HD PRO 68 -5.878 -16.174 -3.033 483 H ASP 69 H ASP 69 -1.443 -15.741 0.346 484 HA ASP 69 HA ASP 69 0.644 -16.682 -1.509 485 HB2 ASP 69 1HB ASP 69 0.819 -14.639 0.713 486 HB3 ASP 69 2HB ASP 69 2.211 -15.262 -0.167 487 HA PRO 70 HA PRO 70 1.592 -19.940 1.280 488 HB2 PRO 70 1HB PRO 70 4.231 -20.283 0.741 489 HB3 PRO 70 2HB PRO 70 2.951 -20.777 -0.373 490 HG2 PRO 70 1HG PRO 70 4.646 -18.310 -0.409 491 HG3 PRO 70 2HG PRO 70 4.168 -19.359 -1.757 492 HD2 PRO 70 1HD PRO 70 2.940 -17.002 -1.239 493 HD3 PRO 70 2HD PRO 70 2.083 -18.392 -1.935 494 H SER 71 H SER 71 3.368 -16.944 1.400 495 HA SER 71 HA SER 71 5.126 -17.220 3.444 496 HB2 SER 71 1HB SER 71 4.779 -14.874 3.973 497 HB3 SER 71 2HB SER 71 4.666 -15.096 2.228 498 HG SER 71 HG SER 71 2.428 -14.993 2.395 499 H GLY 72 H GLY 72 1.631 -16.659 3.814 500 HA2 GLY 72 1HA GLY 72 0.212 -17.073 5.570 501 HA3 GLY 72 2HA GLY 72 1.373 -18.288 6.084 502 H LYS 73 H LYS 73 0.023 -16.998 8.010 503 HA LYS 73 HA LYS 73 2.083 -15.847 9.569 504 HB2 LYS 73 1HB LYS 73 1.156 -13.584 9.837 505 HB3 LYS 73 2HB LYS 73 1.685 -13.881 8.186 506 HG2 LYS 73 1HG LYS 73 -0.313 -12.885 7.771 507 HG3 LYS 73 2HG LYS 73 -0.846 -14.565 7.873 508 HD2 LYS 73 1HD LYS 73 -1.080 -13.939 10.441 509 HD3 LYS 73 2HD LYS 73 -1.257 -12.315 9.771 510 HE2 LYS 73 1HE LYS 73 -2.879 -14.710 8.918 511 HE3 LYS 73 2HE LYS 73 -3.413 -13.509 10.093 512 HZ1 LYS 73 3HZ LYS 73 -3.451 -13.384 7.252 513 HZ2 LYS 73 1HZ LYS 73 -2.609 -12.067 7.899 514 HZ3 LYS 73 2HZ LYS 73 -4.202 -12.370 8.379 515 H GLU 74 H GLU 74 1.395 -15.354 11.742 516 HA GLU 74 HA GLU 74 -1.282 -16.395 12.394 517 HB2 GLU 74 1HB GLU 74 0.740 -17.934 12.883 518 HB3 GLU 74 2HB GLU 74 1.091 -16.813 14.190 519 HG2 GLU 74 1HG GLU 74 -1.576 -18.153 13.888 520 HG3 GLU 74 2HG GLU 74 -0.241 -18.875 14.783 521 H SER 75 H SER 75 -2.449 -14.786 13.195 522 HA SER 75 HA SER 75 -1.122 -12.825 14.950 523 HB2 SER 75 1HB SER 75 -2.057 -11.976 12.743 524 HB3 SER 75 2HB SER 75 -3.659 -12.341 13.383 525 HG SER 75 HG SER 75 -2.463 -10.129 13.706 526 H GLY 76 H GLY 76 -2.065 -12.293 16.891 527 HA2 GLY 76 1HA GLY 76 -4.697 -13.114 17.627 528 HA3 GLY 76 2HA GLY 76 -3.485 -14.200 18.290 529 HA PRO 77 HA PRO 77 -4.087 -10.842 21.382 530 HB2 PRO 77 1HB PRO 77 -3.932 -12.497 23.529 531 HB3 PRO 77 2HB PRO 77 -5.435 -12.212 22.642 532 HG2 PRO 77 1HG PRO 77 -3.520 -14.504 22.438 533 HG3 PRO 77 2HG PRO 77 -5.293 -14.526 22.466 534 HD2 PRO 77 1HD PRO 77 -3.869 -14.752 20.174 535 HD3 PRO 77 2HD PRO 77 -5.461 -13.968 20.236 536 H SER 78 H SER 78 -2.430 -9.713 22.199 537 HA SER 78 HA SER 78 -0.381 -9.183 23.056 538 HB2 SER 78 1HB SER 78 -0.755 -11.309 24.430 539 HB3 SER 78 2HB SER 78 0.255 -12.127 23.238 540 HG SER 78 HG SER 78 1.842 -10.419 23.734 541 H SER 79 H SER 79 -0.889 -9.481 20.254 542 HA SER 79 HA SER 79 0.813 -10.826 18.666 543 HB2 SER 79 1HB SER 79 0.338 -7.852 18.367 544 HB3 SER 79 2HB SER 79 0.734 -8.996 17.084 545 HG SER 79 HG SER 79 -1.286 -9.580 16.997 546 H GLY 80 H GLY 80 2.943 -10.913 18.189 547 HA2 GLY 80 1HA GLY 80 4.937 -9.159 18.229 548 HA3 GLY 80 2HA GLY 80 4.746 -9.449 19.952 Start of MODEL 12 1 H1 GLY 1 H GLY 1 23.842 1.581 19.655 2 HA2 GLY 1 1HA GLY 1 21.697 1.876 18.886 3 HA3 GLY 1 2HA GLY 1 21.959 0.475 17.858 4 H SER 2 H SER 2 19.514 0.570 18.636 5 HA SER 2 HA SER 2 19.289 -1.092 21.058 6 HB2 SER 2 1HB SER 2 17.000 -0.300 21.269 7 HB3 SER 2 2HB SER 2 18.083 1.085 21.133 8 HG SER 2 HG SER 2 17.505 0.720 18.721 9 H SER 3 H SER 3 17.407 -2.640 20.999 10 HA SER 3 HA SER 3 17.747 -4.480 18.918 11 HB2 SER 3 1HB SER 3 16.919 -5.082 21.171 12 HB3 SER 3 2HB SER 3 15.402 -4.252 20.823 13 HG SER 3 HG SER 3 16.332 -6.703 19.936 14 H GLY 4 H GLY 4 16.838 -4.720 16.970 15 HA2 GLY 4 1HA GLY 4 14.944 -2.689 16.086 16 HA3 GLY 4 2HA GLY 4 15.802 -3.831 15.062 17 H SER 5 H SER 5 12.833 -3.011 16.199 18 HA SER 5 HA SER 5 11.819 -5.771 16.102 19 HB2 SER 5 1HB SER 5 9.755 -4.807 17.146 20 HB3 SER 5 2HB SER 5 11.198 -4.645 18.147 21 HG SER 5 HG SER 5 9.650 -2.733 17.634 22 H SER 6 H SER 6 10.066 -6.298 14.779 23 HA SER 6 HA SER 6 9.950 -4.826 12.317 24 HB2 SER 6 1HB SER 6 8.690 -7.363 13.322 25 HB3 SER 6 2HB SER 6 8.147 -6.634 11.811 26 HG SER 6 HG SER 6 10.891 -7.033 12.248 27 H GLY 7 H GLY 7 9.048 -2.821 12.885 28 HA2 GLY 7 1HA GLY 7 6.220 -2.912 13.728 29 HA3 GLY 7 2HA GLY 7 7.300 -1.555 14.011 30 H ALA 8 H ALA 8 6.624 -3.459 11.083 31 HA ALA 8 HA ALA 8 5.605 -1.010 9.814 32 HB1 ALA 8 3HB ALA 8 6.809 -1.680 7.729 33 HB2 ALA 8 1HB ALA 8 7.861 -1.182 9.055 34 HB3 ALA 8 2HB ALA 8 7.663 -2.895 8.681 35 H THR 9 H THR 9 4.857 -1.802 7.423 36 HA THR 9 HA THR 9 3.348 -4.300 7.688 37 HB THR 9 HB THR 9 2.104 -1.639 6.971 38 HG1 THR 9 1HG THR 9 1.330 -3.414 9.043 39 HG21 THR 9 3HG2 THR 9 0.215 -3.762 7.293 40 HG22 THR 9 1HG2 THR 9 1.409 -4.230 6.084 41 HG23 THR 9 2HG2 THR 9 0.495 -2.734 5.888 42 H SER 10 H SER 10 3.848 -5.489 5.976 43 HA SER 10 HA SER 10 4.827 -4.271 3.545 44 HB2 SER 10 1HB SER 10 5.141 -6.624 2.796 45 HB3 SER 10 2HB SER 10 5.916 -6.292 4.345 46 HG SER 10 HG SER 10 4.553 -7.594 5.321 47 H TYR 11 H TYR 11 3.800 -4.129 1.616 48 HA TYR 11 HA TYR 11 0.988 -5.007 1.548 49 HB2 TYR 11 1HB TYR 11 2.320 -2.632 0.238 50 HB3 TYR 11 2HB TYR 11 0.680 -3.155 -0.130 51 HD1 TYR 11 2HD TYR 11 2.679 -2.552 2.980 52 HD2 TYR 11 1HD TYR 11 -0.946 -1.868 0.860 53 HE1 TYR 11 2HE TYR 11 1.837 -1.214 4.864 54 HE2 TYR 11 1HE TYR 11 -1.798 -0.527 2.738 55 HH TYR 11 HH TYR 11 -0.810 -0.625 5.665 56 H MET 12 H MET 12 0.197 -5.173 -0.831 57 HA MET 12 HA MET 12 2.192 -6.751 -2.316 58 HB2 MET 12 1HB MET 12 0.393 -8.154 -1.531 59 HB3 MET 12 2HB MET 12 -0.811 -7.047 -2.177 60 HG2 MET 12 1HG MET 12 -0.830 -8.610 -3.816 61 HG3 MET 12 2HG MET 12 0.440 -7.560 -4.439 62 HE1 MET 12 3HE MET 12 3.172 -9.240 -5.074 63 HE2 MET 12 1HE MET 12 1.972 -10.294 -5.822 64 HE3 MET 12 2HE MET 12 1.683 -8.557 -5.731 65 H THR 13 H THR 13 2.420 -6.448 -4.510 66 HA THR 13 HA THR 13 1.301 -3.948 -5.540 67 HB THR 13 HB THR 13 3.065 -3.862 -7.084 68 HG1 THR 13 1HG THR 13 3.712 -5.633 -8.029 69 HG21 THR 13 3HG2 THR 13 4.904 -3.740 -5.725 70 HG22 THR 13 1HG2 THR 13 4.581 -5.296 -4.961 71 HG23 THR 13 2HG2 THR 13 3.645 -3.875 -4.497 72 H CYS 14 H CYS 14 -0.319 -3.951 -6.946 73 HA CYS 14 HA CYS 14 -1.143 -6.465 -8.167 74 HB2 CYS 14 1HB CYS 14 -2.449 -3.848 -7.606 75 HB3 CYS 14 2HB CYS 14 -3.051 -4.779 -8.972 76 HG CYS 14 HG CYS 14 -3.591 -7.067 -7.394 77 H SER 15 H SER 15 0.406 -3.505 -8.994 78 HA SER 15 HA SER 15 0.598 -4.399 -11.773 79 HB2 SER 15 1HB SER 15 -1.226 -2.536 -11.287 80 HB3 SER 15 2HB SER 15 0.183 -1.476 -11.310 81 HG SER 15 HG SER 15 0.577 -2.838 -13.390 82 H ALA 16 H ALA 16 2.356 -3.354 -12.955 83 HA ALA 16 HA ALA 16 4.678 -3.055 -11.274 84 HB1 ALA 16 3HB ALA 16 4.357 -2.947 -14.270 85 HB2 ALA 16 1HB ALA 16 5.902 -2.881 -13.421 86 HB3 ALA 16 2HB ALA 16 4.894 -4.324 -13.308 87 H TYR 17 H TYR 17 5.536 -1.212 -10.576 88 HA TYR 17 HA TYR 17 4.511 1.308 -11.684 89 HB2 TYR 17 1HB TYR 17 4.092 1.322 -9.386 90 HB3 TYR 17 2HB TYR 17 5.619 0.535 -9.003 91 HD1 TYR 17 2HD TYR 17 7.751 1.855 -9.194 92 HD2 TYR 17 1HD TYR 17 3.915 3.679 -9.449 93 HE1 TYR 17 2HE TYR 17 8.768 4.045 -8.726 94 HE2 TYR 17 1HE TYR 17 4.922 5.874 -8.983 95 HH TYR 17 HH TYR 17 7.664 6.765 -9.395 96 H GLN 18 H GLN 18 5.865 2.896 -12.426 97 HA GLN 18 HA GLN 18 8.639 2.067 -12.908 98 HB2 GLN 18 1HB GLN 18 7.473 2.552 -14.938 99 HB3 GLN 18 2HB GLN 18 6.857 4.068 -14.294 100 HG2 GLN 18 1HG GLN 18 8.585 4.623 -15.795 101 HG3 GLN 18 2HG GLN 18 9.234 4.864 -14.173 102 HE21 GLN 18 1HE2 GLN 18 11.320 4.416 -14.288 103 HE22 GLN 18 2HE2 GLN 18 12.012 2.992 -14.980 104 H LYS 19 H LYS 19 10.373 3.433 -12.476 105 HA LYS 19 HA LYS 19 9.813 5.484 -10.457 106 HB2 LYS 19 1HB LYS 19 12.281 5.289 -9.984 107 HB3 LYS 19 2HB LYS 19 11.341 3.838 -9.661 108 HG2 LYS 19 1HG LYS 19 12.295 2.667 -11.370 109 HG3 LYS 19 2HG LYS 19 12.619 4.114 -12.328 110 HD2 LYS 19 1HD LYS 19 14.064 3.464 -9.765 111 HD3 LYS 19 2HD LYS 19 14.648 2.978 -11.359 112 HE2 LYS 19 1HE LYS 19 14.628 5.364 -12.036 113 HE3 LYS 19 2HE LYS 19 14.173 5.794 -10.388 114 HZ1 LYS 19 3HZ LYS 19 16.558 4.140 -10.767 115 HZ2 LYS 19 1HZ LYS 19 16.233 5.313 -9.592 116 HZ3 LYS 19 2HZ LYS 19 16.667 5.782 -11.158 117 H VAL 20 H VAL 20 9.942 7.559 -10.979 118 HA VAL 20 HA VAL 20 11.119 8.328 -13.530 119 HB VAL 20 HB VAL 20 10.109 10.526 -13.125 120 HG11 VAL 20 1HG1 VAL 20 8.642 8.021 -13.279 121 HG12 VAL 20 2HG1 VAL 20 7.668 9.342 -12.630 122 HG13 VAL 20 3HG1 VAL 20 8.443 9.507 -14.206 123 HG21 VAL 20 3HG2 VAL 20 8.409 10.397 -11.069 124 HG22 VAL 20 1HG2 VAL 20 9.697 9.375 -10.429 125 HG23 VAL 20 2HG2 VAL 20 10.045 11.035 -10.913 126 H GLN 21 H GLN 21 11.702 8.642 -10.108 127 HA GLN 21 HA GLN 21 14.075 10.289 -10.688 128 HB2 GLN 21 1HB GLN 21 12.623 10.072 -8.049 129 HB3 GLN 21 2HB GLN 21 13.932 11.175 -8.448 130 HG2 GLN 21 1HG GLN 21 12.241 11.946 -10.319 131 HG3 GLN 21 2HG GLN 21 11.062 11.284 -9.188 132 HE21 GLN 21 1HE2 GLN 21 13.367 13.786 -9.791 133 HE22 GLN 21 2HE2 GLN 21 12.961 14.779 -8.437 134 H ASP 22 H ASP 22 16.016 9.815 -9.565 135 HA ASP 22 HA ASP 22 16.727 7.142 -9.449 136 HB2 ASP 22 1HB ASP 22 18.157 9.365 -9.417 137 HB3 ASP 22 2HB ASP 22 18.144 9.087 -7.678 138 H SER 23 H SER 23 15.399 9.208 -6.953 139 HA SER 23 HA SER 23 15.943 7.566 -4.732 140 HB2 SER 23 1HB SER 23 13.615 9.465 -5.110 141 HB3 SER 23 2HB SER 23 14.231 8.862 -3.572 142 HG SER 23 HG SER 23 16.319 9.858 -4.521 143 H GLU 24 H GLU 24 13.037 7.834 -6.770 144 HA GLU 24 HA GLU 24 11.624 5.757 -5.449 145 HB2 GLU 24 1HB GLU 24 11.271 7.009 -8.174 146 HB3 GLU 24 2HB GLU 24 10.167 5.818 -7.503 147 HG2 GLU 24 1HG GLU 24 9.638 7.304 -5.663 148 HG3 GLU 24 2HG GLU 24 10.793 8.490 -6.268 149 H ILE 25 H ILE 25 10.943 3.720 -6.500 150 HA ILE 25 HA ILE 25 12.956 2.610 -8.324 151 HB ILE 25 HB ILE 25 13.811 1.705 -6.381 152 HG12 ILE 25 1HG1 ILE 25 12.868 -0.023 -8.094 153 HG13 ILE 25 2HG1 ILE 25 13.451 -0.588 -6.532 154 HG21 ILE 25 1HG2 ILE 25 11.065 2.024 -5.390 155 HG22 ILE 25 2HG2 ILE 25 11.937 0.634 -4.744 156 HG23 ILE 25 3HG2 ILE 25 12.606 2.256 -4.565 157 HD11 ILE 25 3HD1 ILE 25 11.075 -1.259 -7.618 158 HD12 ILE 25 1HD1 ILE 25 11.422 -1.278 -5.889 159 HD13 ILE 25 2HD1 ILE 25 10.606 0.109 -6.609 160 H SER 26 H SER 26 12.218 1.038 -9.722 161 HA SER 26 HA SER 26 9.306 0.811 -9.898 162 HB2 SER 26 1HB SER 26 9.747 -0.016 -12.204 163 HB3 SER 26 2HB SER 26 10.420 1.588 -11.914 164 HG SER 26 HG SER 26 12.322 0.808 -12.307 165 H PHE 27 H PHE 27 8.243 -1.035 -9.540 166 HA PHE 27 HA PHE 27 9.810 -3.516 -9.287 167 HB2 PHE 27 1HB PHE 27 8.039 -4.146 -7.527 168 HB3 PHE 27 2HB PHE 27 9.284 -2.993 -7.058 169 HD1 PHE 27 1HD PHE 27 5.758 -3.328 -8.090 170 HD2 PHE 27 2HD PHE 27 8.736 -0.792 -6.412 171 HE1 PHE 27 1HE PHE 27 4.015 -1.719 -7.437 172 HE2 PHE 27 2HE PHE 27 6.997 0.820 -5.756 173 HZ PHE 27 HZ PHE 27 4.633 0.358 -6.267 174 HA PRO 28 HA PRO 28 6.989 -5.323 -12.128 175 HB2 PRO 28 1HB PRO 28 7.142 -7.924 -11.364 176 HB3 PRO 28 2HB PRO 28 8.443 -7.099 -12.230 177 HG2 PRO 28 1HG PRO 28 8.174 -7.657 -9.301 178 HG3 PRO 28 2HG PRO 28 9.600 -7.811 -10.343 179 HD2 PRO 28 1HD PRO 28 9.215 -5.689 -8.707 180 HD3 PRO 28 2HD PRO 28 10.060 -5.554 -10.262 181 H ALA 29 H ALA 29 5.039 -6.767 -12.216 182 HA ALA 29 HA ALA 29 3.280 -6.118 -9.980 183 HB1 ALA 29 3HB ALA 29 2.630 -7.233 -12.706 184 HB2 ALA 29 1HB ALA 29 1.458 -6.727 -11.489 185 HB3 ALA 29 2HB ALA 29 2.532 -5.538 -12.228 186 H GLY 30 H GLY 30 3.566 -7.592 -8.378 187 HA2 GLY 30 1HA GLY 30 2.362 -9.800 -7.888 188 HA3 GLY 30 2HA GLY 30 3.448 -10.445 -9.110 189 H VAL 31 H VAL 31 4.435 -7.978 -6.840 190 HA VAL 31 HA VAL 31 5.992 -9.990 -5.357 191 HB VAL 31 HB VAL 31 7.841 -8.312 -5.194 192 HG11 VAL 31 1HG1 VAL 31 7.680 -10.239 -6.871 193 HG12 VAL 31 2HG1 VAL 31 7.314 -8.995 -8.069 194 HG13 VAL 31 3HG1 VAL 31 8.850 -8.962 -7.202 195 HG21 VAL 31 3HG2 VAL 31 7.675 -6.692 -7.310 196 HG22 VAL 31 1HG2 VAL 31 5.960 -6.802 -6.912 197 HG23 VAL 31 2HG2 VAL 31 7.110 -6.223 -5.707 198 H GLU 32 H GLU 32 6.867 -9.076 -3.269 199 HA GLU 32 HA GLU 32 4.804 -7.379 -2.033 200 HB2 GLU 32 1HB GLU 32 4.919 -9.639 -1.107 201 HB3 GLU 32 2HB GLU 32 6.631 -9.430 -0.770 202 HG2 GLU 32 1HG GLU 32 6.061 -7.593 0.781 203 HG3 GLU 32 2HG GLU 32 4.353 -7.927 0.497 204 H VAL 33 H VAL 33 5.427 -5.785 -0.518 205 HA VAL 33 HA VAL 33 8.272 -5.093 -0.421 206 HB VAL 33 HB VAL 33 7.744 -2.706 -0.859 207 HG11 VAL 33 1HG1 VAL 33 8.673 -3.542 -2.749 208 HG12 VAL 33 2HG1 VAL 33 7.509 -4.863 -2.868 209 HG13 VAL 33 3HG1 VAL 33 7.059 -3.240 -3.391 210 HG21 VAL 33 3HG2 VAL 33 5.504 -2.495 -2.238 211 HG22 VAL 33 1HG2 VAL 33 5.021 -3.849 -1.216 212 HG23 VAL 33 2HG2 VAL 33 5.519 -2.324 -0.483 213 H GLN 34 H GLN 34 8.676 -3.296 1.169 214 HA GLN 34 HA GLN 34 6.828 -3.565 3.447 215 HB2 GLN 34 1HB GLN 34 9.799 -3.522 3.259 216 HB3 GLN 34 2HB GLN 34 9.060 -2.789 4.677 217 HG2 GLN 34 1HG GLN 34 8.299 -4.776 5.485 218 HG3 GLN 34 2HG GLN 34 8.159 -5.501 3.884 219 HE21 GLN 34 1HE2 GLN 34 9.892 -5.485 6.696 220 HE22 GLN 34 2HE2 GLN 34 11.344 -6.234 6.136 221 H VAL 35 H VAL 35 5.755 -1.790 3.975 222 HA VAL 35 HA VAL 35 6.508 0.771 2.867 223 HB VAL 35 HB VAL 35 4.215 0.047 4.698 224 HG11 VAL 35 1HG1 VAL 35 3.531 2.312 3.278 225 HG12 VAL 35 2HG1 VAL 35 4.029 2.254 4.970 226 HG13 VAL 35 3HG1 VAL 35 5.217 2.590 3.710 227 HG21 VAL 35 3HG2 VAL 35 4.114 0.592 1.739 228 HG22 VAL 35 1HG2 VAL 35 4.270 -1.031 2.413 229 HG23 VAL 35 2HG2 VAL 35 2.841 -0.061 2.771 230 H LEU 36 H LEU 36 8.146 1.799 3.835 231 HA LEU 36 HA LEU 36 8.584 1.608 6.684 232 HB2 LEU 36 1HB LEU 36 9.997 3.402 4.725 233 HB3 LEU 36 2HB LEU 36 10.566 2.876 6.308 234 HG LEU 36 HG LEU 36 10.135 0.969 4.020 235 HD11 LEU 36 1HD1 LEU 36 12.804 2.076 4.808 236 HD12 LEU 36 2HD1 LEU 36 11.812 2.863 3.582 237 HD13 LEU 36 3HD1 LEU 36 12.350 1.200 3.347 238 HD21 LEU 36 3HD2 LEU 36 12.164 0.112 5.723 239 HD22 LEU 36 1HD2 LEU 36 10.522 -0.524 5.621 240 HD23 LEU 36 2HD2 LEU 36 10.908 0.738 6.792 241 H GLU 37 H GLU 37 7.901 4.254 4.394 242 HA GLU 37 HA GLU 37 6.734 5.758 6.644 243 HB2 GLU 37 1HB GLU 37 8.953 6.572 5.459 244 HB3 GLU 37 2HB GLU 37 7.825 7.182 4.256 245 HG2 GLU 37 1HG GLU 37 8.391 8.899 5.868 246 HG3 GLU 37 2HG GLU 37 6.682 8.480 5.969 247 H LYS 38 H LYS 38 4.990 7.214 6.088 248 HA LYS 38 HA LYS 38 3.644 6.625 3.549 249 HB2 LYS 38 1HB LYS 38 2.490 6.315 6.313 250 HB3 LYS 38 2HB LYS 38 1.464 6.574 4.908 251 HG2 LYS 38 1HG LYS 38 2.703 4.550 3.905 252 HG3 LYS 38 2HG LYS 38 3.195 4.227 5.569 253 HD2 LYS 38 1HD LYS 38 0.788 4.283 6.218 254 HD3 LYS 38 2HD LYS 38 0.378 4.420 4.507 255 HE2 LYS 38 1HE LYS 38 0.177 2.130 5.042 256 HE3 LYS 38 2HE LYS 38 1.694 2.288 4.158 257 HZ1 LYS 38 3HZ LYS 38 2.589 1.201 5.864 258 HZ2 LYS 38 1HZ LYS 38 1.236 1.431 6.854 259 HZ3 LYS 38 2HZ LYS 38 2.423 2.631 6.752 260 H GLN 39 H GLN 39 2.997 8.420 2.562 261 HA GLN 39 HA GLN 39 2.972 10.921 4.079 262 HB2 GLN 39 1HB GLN 39 3.018 10.370 1.110 263 HB3 GLN 39 2HB GLN 39 2.919 11.982 1.806 264 HG2 GLN 39 1HG GLN 39 5.075 11.203 3.090 265 HG3 GLN 39 2HG GLN 39 5.199 10.079 1.738 266 HE21 GLN 39 1HE2 GLN 39 4.560 13.515 2.352 267 HE22 GLN 39 2HE2 GLN 39 5.504 14.103 1.030 268 H GLU 40 H GLU 40 1.106 11.700 4.779 269 HA GLU 40 HA GLU 40 -1.372 10.737 4.589 270 HB2 GLU 40 1HB GLU 40 -0.495 13.615 4.604 271 HB3 GLU 40 2HB GLU 40 -2.197 13.177 4.660 272 HG2 GLU 40 1HG GLU 40 -1.698 11.810 6.687 273 HG3 GLU 40 2HG GLU 40 -0.067 12.478 6.664 274 H SER 41 H SER 41 0.190 12.678 2.098 275 HA SER 41 HA SER 41 -1.913 13.234 0.419 276 HB2 SER 41 1HB SER 41 0.865 12.375 -0.427 277 HB3 SER 41 2HB SER 41 -0.285 13.280 -1.412 278 HG SER 41 HG SER 41 -0.079 15.012 -0.046 279 H GLY 42 H GLY 42 0.214 10.379 0.108 280 HA2 GLY 42 1HA GLY 42 -1.659 8.404 -0.087 281 HA3 GLY 42 2HA GLY 42 -1.613 9.094 -1.703 282 H TRP 43 H TRP 43 1.294 9.734 -1.344 283 HA TRP 43 HA TRP 43 2.283 7.223 -2.348 284 HB2 TRP 43 1HB TRP 43 3.573 9.918 -1.911 285 HB3 TRP 43 2HB TRP 43 4.458 8.523 -2.523 286 HD1 TRP 43 HD TRP 43 1.191 10.402 -3.500 287 HE1 TRP 43 1HE TRP 43 1.107 10.542 -6.069 288 HE3 TRP 43 3HE TRP 43 5.492 7.863 -4.592 289 HZ2 TRP 43 2HZ TRP 43 2.659 9.690 -8.267 290 HZ3 TRP 43 3HZ TRP 43 6.121 7.569 -6.952 291 HH2 TRP 43 HH TRP 43 4.732 8.464 -8.750 292 H TRP 44 H TRP 44 3.374 5.707 -1.269 293 HA TRP 44 HA TRP 44 4.298 6.351 1.455 294 HB2 TRP 44 1HB TRP 44 3.375 3.654 0.443 295 HB3 TRP 44 2HB TRP 44 3.811 4.067 2.099 296 HD1 TRP 44 HD TRP 44 2.063 6.954 1.740 297 HE1 TRP 44 1HE TRP 44 -0.475 6.765 2.128 298 HE3 TRP 44 3HE TRP 44 1.523 1.905 1.142 299 HZ2 TRP 44 2HZ TRP 44 -2.444 4.743 2.176 300 HZ3 TRP 44 3HZ TRP 44 -0.721 0.923 1.375 301 HH2 TRP 44 HH TRP 44 -2.662 2.314 1.882 302 H TYR 45 H TYR 45 6.295 5.606 2.117 303 HA TYR 45 HA TYR 45 8.171 5.053 -0.007 304 HB2 TYR 45 1HB TYR 45 8.522 6.567 2.073 305 HB3 TYR 45 2HB TYR 45 8.862 5.061 2.918 306 HD1 TYR 45 1HD TYR 45 9.786 6.361 -0.466 307 HD2 TYR 45 2HD TYR 45 11.129 4.843 3.275 308 HE1 TYR 45 1HE TYR 45 12.107 6.438 -1.275 309 HE2 TYR 45 2HE TYR 45 13.454 4.917 2.477 310 HH TYR 45 HH TYR 45 14.587 6.597 0.263 311 H VAL 46 H VAL 46 8.196 3.029 -0.766 312 HA VAL 46 HA VAL 46 8.012 0.791 1.124 313 HB VAL 46 HB VAL 46 7.865 -0.559 -1.076 314 HG11 VAL 46 1HG1 VAL 46 5.701 1.287 -0.093 315 HG12 VAL 46 2HG1 VAL 46 5.416 0.011 -1.278 316 HG13 VAL 46 3HG1 VAL 46 5.974 -0.400 0.344 317 HG21 VAL 46 3HG2 VAL 46 6.832 1.985 -2.249 318 HG22 VAL 46 1HG2 VAL 46 8.554 1.618 -2.346 319 HG23 VAL 46 2HG2 VAL 46 7.376 0.514 -3.056 320 H ARG 47 H ARG 47 9.375 -1.160 0.496 321 HA ARG 47 HA ARG 47 12.034 -0.322 -0.443 322 HB2 ARG 47 1HB ARG 47 12.160 -0.418 1.965 323 HB3 ARG 47 2HB ARG 47 11.395 -2.001 1.985 324 HG2 ARG 47 1HG ARG 47 13.440 -2.705 0.537 325 HG3 ARG 47 2HG ARG 47 14.175 -1.251 1.216 326 HD2 ARG 47 1HD ARG 47 12.815 -3.141 3.066 327 HD3 ARG 47 2HD ARG 47 14.382 -3.606 2.404 328 HE ARG 47 HE ARG 47 13.867 -1.585 4.374 329 HH11 ARG 47 1HH1 ARG 47 16.050 -2.644 1.878 330 HH12 ARG 47 2HH1 ARG 47 17.420 -1.820 2.546 331 HH21 ARG 47 1HH2 ARG 47 15.663 -0.495 5.262 332 HH22 ARG 47 2HH2 ARG 47 17.199 -0.599 4.471 333 H PHE 48 H PHE 48 12.719 -1.516 -2.084 334 HA PHE 48 HA PHE 48 11.666 -4.255 -2.362 335 HB2 PHE 48 1HB PHE 48 10.848 -2.636 -4.089 336 HB3 PHE 48 2HB PHE 48 12.516 -2.415 -4.606 337 HD1 PHE 48 1HD PHE 48 13.737 -4.265 -5.673 338 HD2 PHE 48 2HD PHE 48 9.605 -4.569 -4.698 339 HE1 PHE 48 1HE PHE 48 13.526 -6.197 -7.183 340 HE2 PHE 48 2HE PHE 48 9.388 -6.501 -6.205 341 HZ PHE 48 HZ PHE 48 11.350 -7.318 -7.449 342 H GLY 49 H GLY 49 13.236 -5.597 -1.725 343 HA2 GLY 49 1HA GLY 49 15.239 -6.727 -1.773 344 HA3 GLY 49 2HA GLY 49 15.648 -5.803 -3.212 345 H GLU 50 H GLU 50 17.187 -4.292 -3.062 346 HA GLU 50 HA GLU 50 18.073 -3.521 -0.358 347 HB2 GLU 50 1HB GLU 50 19.681 -4.964 -1.582 348 HB3 GLU 50 2HB GLU 50 19.765 -3.752 -2.852 349 HG2 GLU 50 1HG GLU 50 20.939 -2.263 -1.543 350 HG3 GLU 50 2HG GLU 50 20.383 -2.990 -0.036 351 H LEU 51 H LEU 51 16.061 -2.140 -1.827 352 HA LEU 51 HA LEU 51 17.304 0.485 -1.921 353 HB2 LEU 51 1HB LEU 51 15.662 -0.562 -4.221 354 HB3 LEU 51 2HB LEU 51 16.326 1.064 -4.069 355 HG LEU 51 HG LEU 51 18.100 -1.358 -4.162 356 HD11 LEU 51 1HD1 LEU 51 18.236 -1.262 -6.495 357 HD12 LEU 51 2HD1 LEU 51 17.386 0.281 -6.571 358 HD13 LEU 51 3HD1 LEU 51 16.507 -1.189 -6.151 359 HD21 LEU 51 3HD2 LEU 51 18.551 1.533 -4.893 360 HD22 LEU 51 1HD2 LEU 51 19.756 0.246 -4.904 361 HD23 LEU 51 2HD2 LEU 51 19.045 0.775 -3.379 362 H GLU 52 H GLU 52 15.599 2.223 -2.178 363 HA GLU 52 HA GLU 52 12.962 1.393 -1.221 364 HB2 GLU 52 1HB GLU 52 14.696 3.455 0.152 365 HB3 GLU 52 2HB GLU 52 13.001 3.163 0.519 366 HG2 GLU 52 1HG GLU 52 13.428 1.106 1.488 367 HG3 GLU 52 2HG GLU 52 14.982 0.933 0.673 368 H GLY 53 H GLY 53 11.432 2.361 -2.373 369 HA2 GLY 53 1HA GLY 53 11.977 5.052 -3.452 370 HA3 GLY 53 2HA GLY 53 11.324 3.788 -4.484 371 H TRP 54 H TRP 54 10.130 6.337 -3.913 372 HA TRP 54 HA TRP 54 7.937 5.808 -2.093 373 HB2 TRP 54 1HB TRP 54 8.591 8.182 -3.848 374 HB3 TRP 54 2HB TRP 54 7.183 8.100 -2.793 375 HD1 TRP 54 HD TRP 54 10.957 8.587 -2.718 376 HE1 TRP 54 1HE TRP 54 11.653 9.355 -0.362 377 HE3 TRP 54 3HE TRP 54 6.503 7.921 -0.299 378 HZ2 TRP 54 2HZ TRP 54 10.470 9.641 2.185 379 HZ3 TRP 54 3HZ TRP 54 6.369 8.465 2.097 380 HH2 TRP 54 HH TRP 54 8.313 9.306 3.312 381 H ALA 55 H ALA 55 6.346 4.529 -2.767 382 HA ALA 55 HA ALA 55 5.436 4.772 -5.559 383 HB1 ALA 55 3HB ALA 55 4.863 2.518 -5.581 384 HB2 ALA 55 1HB ALA 55 6.378 2.544 -4.677 385 HB3 ALA 55 2HB ALA 55 4.842 2.405 -3.821 386 HA PRO 56 HA PRO 56 1.584 6.337 -4.115 387 HB2 PRO 56 1HB PRO 56 0.008 5.625 -6.207 388 HB3 PRO 56 2HB PRO 56 1.182 6.943 -6.294 389 HG2 PRO 56 1HG PRO 56 1.427 4.121 -7.262 390 HG3 PRO 56 2HG PRO 56 1.921 5.624 -8.062 391 HD2 PRO 56 1HD PRO 56 3.676 4.018 -6.768 392 HD3 PRO 56 2HD PRO 56 3.870 5.781 -6.842 393 H SER 57 H SER 57 -0.334 5.682 -3.156 394 HA SER 57 HA SER 57 -0.446 2.979 -2.276 395 HB2 SER 57 1HB SER 57 -1.221 4.611 -0.739 396 HB3 SER 57 2HB SER 57 -2.292 5.341 -1.934 397 HG SER 57 HG SER 57 -3.201 3.831 -0.257 398 H HIS 58 H HIS 58 -1.963 4.766 -4.839 399 HA HIS 58 HA HIS 58 -4.208 3.223 -5.359 400 HB2 HIS 58 1HB HIS 58 -2.444 4.422 -7.496 401 HB3 HIS 58 2HB HIS 58 -4.179 4.131 -7.573 402 HD1 HIS 58 1HD HIS 58 -1.697 6.335 -5.741 403 HD2 HIS 58 2HD HIS 58 -5.718 6.237 -6.783 404 HE1 HIS 58 1HE HIS 58 -2.619 8.578 -5.076 405 HE2 HIS 58 2HE HIS 58 -5.072 8.464 -5.638 406 H TYR 59 H TYR 59 -0.843 2.657 -6.213 407 HA TYR 59 HA TYR 59 -1.453 0.340 -7.817 408 HB2 TYR 59 1HB TYR 59 1.134 1.554 -6.848 409 HB3 TYR 59 2HB TYR 59 1.074 0.064 -7.783 410 HD1 TYR 59 1HD TYR 59 -0.402 3.500 -7.981 411 HD2 TYR 59 2HD TYR 59 1.489 0.288 -10.033 412 HE1 TYR 59 1HE TYR 59 -0.442 4.813 -10.060 413 HE2 TYR 59 2HE TYR 59 1.455 1.593 -12.118 414 HH TYR 59 HH TYR 59 0.876 4.876 -12.223 415 H LEU 60 H LEU 60 -0.081 0.970 -4.612 416 HA LEU 60 HA LEU 60 0.429 -1.734 -3.960 417 HB2 LEU 60 1HB LEU 60 -0.079 0.629 -2.157 418 HB3 LEU 60 2HB LEU 60 0.569 -0.926 -1.638 419 HG LEU 60 HG LEU 60 1.976 0.760 -3.688 420 HD11 LEU 60 1HD1 LEU 60 2.507 2.276 -2.164 421 HD12 LEU 60 2HD1 LEU 60 3.246 1.012 -1.182 422 HD13 LEU 60 3HD1 LEU 60 1.549 1.429 -0.949 423 HD21 LEU 60 3HD2 LEU 60 3.934 -0.486 -2.805 424 HD22 LEU 60 1HD2 LEU 60 2.718 -1.520 -3.555 425 HD23 LEU 60 2HD2 LEU 60 2.833 -1.427 -1.797 426 H VAL 61 H VAL 61 -0.737 -3.191 -2.704 427 HA VAL 61 HA VAL 61 -3.622 -2.866 -2.852 428 HB VAL 61 HB VAL 61 -1.911 -5.225 -2.060 429 HG11 VAL 61 1HG1 VAL 61 -4.906 -4.947 -2.200 430 HG12 VAL 61 2HG1 VAL 61 -4.069 -6.501 -2.188 431 HG13 VAL 61 3HG1 VAL 61 -3.927 -5.410 -0.808 432 HG21 VAL 61 3HG2 VAL 61 -3.205 -4.313 -4.563 433 HG22 VAL 61 1HG2 VAL 61 -1.710 -5.217 -4.321 434 HG23 VAL 61 2HG2 VAL 61 -3.266 -6.041 -4.213 435 H LEU 62 H LEU 62 -4.700 -1.984 -1.225 436 HA LEU 62 HA LEU 62 -3.543 -1.872 1.431 437 HB2 LEU 62 1HB LEU 62 -6.098 -0.751 0.294 438 HB3 LEU 62 2HB LEU 62 -5.559 -0.509 1.954 439 HG LEU 62 HG LEU 62 -3.451 0.528 0.877 440 HD11 LEU 62 1HD1 LEU 62 -3.509 0.160 -1.365 441 HD12 LEU 62 2HD1 LEU 62 -4.352 1.708 -1.319 442 HD13 LEU 62 3HD1 LEU 62 -5.271 0.208 -1.443 443 HD21 LEU 62 3HD2 LEU 62 -4.784 1.975 2.098 444 HD22 LEU 62 1HD2 LEU 62 -6.181 1.740 1.046 445 HD23 LEU 62 2HD2 LEU 62 -4.810 2.700 0.489 446 H ASP 63 H ASP 63 -5.121 -2.235 3.310 447 HA ASP 63 HA ASP 63 -6.080 -4.956 3.102 448 HB2 ASP 63 1HB ASP 63 -5.733 -3.013 5.371 449 HB3 ASP 63 2HB ASP 63 -6.634 -4.511 5.593 450 H GLU 64 H GLU 64 -7.546 -3.096 1.543 451 HA GLU 64 HA GLU 64 -9.990 -2.467 2.935 452 HB2 GLU 64 1HB GLU 64 -9.226 -0.993 1.163 453 HB3 GLU 64 2HB GLU 64 -9.256 -2.318 0.007 454 HG2 GLU 64 1HG GLU 64 -11.609 -2.412 0.020 455 HG3 GLU 64 2HG GLU 64 -11.717 -1.387 1.450 456 H ASN 65 H ASN 65 -11.773 -3.676 3.080 457 HA ASN 65 HA ASN 65 -11.762 -6.392 2.325 458 HB2 ASN 65 1HB ASN 65 -14.285 -6.180 2.898 459 HB3 ASN 65 2HB ASN 65 -13.104 -5.918 4.178 460 HD21 ASN 65 1HD2 ASN 65 -12.833 -3.886 5.030 461 HD22 ASN 65 2HD2 ASN 65 -13.913 -2.579 4.700 462 H GLU 66 H GLU 66 -11.663 -6.904 0.214 463 HA GLU 66 HA GLU 66 -13.760 -5.805 -1.539 464 HB2 GLU 66 1HB GLU 66 -10.894 -6.466 -2.227 465 HB3 GLU 66 2HB GLU 66 -12.135 -6.134 -3.427 466 HG2 GLU 66 1HG GLU 66 -11.476 -4.182 -1.250 467 HG3 GLU 66 2HG GLU 66 -10.584 -4.229 -2.770 468 H GLN 67 H GLN 67 -14.227 -7.244 -3.437 469 HA GLN 67 HA GLN 67 -14.821 -9.870 -2.491 470 HB2 GLN 67 1HB GLN 67 -16.385 -8.784 -3.960 471 HB3 GLN 67 2HB GLN 67 -15.153 -8.571 -5.197 472 HG2 GLN 67 1HG GLN 67 -16.192 -10.377 -6.064 473 HG3 GLN 67 2HG GLN 67 -15.055 -11.215 -5.008 474 HE21 GLN 67 1HE2 GLN 67 -18.091 -9.509 -4.354 475 HE22 GLN 67 2HE2 GLN 67 -18.882 -10.846 -3.599 476 HA PRO 68 HA PRO 68 -11.121 -11.914 -3.762 477 HB2 PRO 68 1HB PRO 68 -12.054 -14.462 -3.671 478 HB3 PRO 68 2HB PRO 68 -11.674 -13.525 -2.221 479 HG2 PRO 68 1HG PRO 68 -14.329 -14.032 -3.508 480 HG3 PRO 68 2HG PRO 68 -13.896 -14.060 -1.789 481 HD2 PRO 68 1HD PRO 68 -15.137 -11.949 -2.944 482 HD3 PRO 68 2HD PRO 68 -13.995 -11.765 -1.597 483 H ASP 69 H ASP 69 -10.295 -13.244 -5.484 484 HA ASP 69 HA ASP 69 -12.062 -13.306 -7.842 485 HB2 ASP 69 1HB ASP 69 -9.117 -12.702 -7.612 486 HB3 ASP 69 2HB ASP 69 -9.864 -13.145 -9.144 487 HA PRO 70 HA PRO 70 -10.941 -17.682 -6.915 488 HB2 PRO 70 1HB PRO 70 -13.368 -18.677 -7.616 489 HB3 PRO 70 2HB PRO 70 -13.018 -18.044 -6.003 490 HG2 PRO 70 1HG PRO 70 -14.403 -16.715 -8.300 491 HG3 PRO 70 2HG PRO 70 -14.831 -16.707 -6.579 492 HD2 PRO 70 1HD PRO 70 -13.551 -14.640 -7.772 493 HD3 PRO 70 2HD PRO 70 -13.281 -15.077 -6.073 494 H SER 71 H SER 71 -9.512 -17.813 -8.662 495 HA SER 71 HA SER 71 -10.702 -18.197 -11.320 496 HB2 SER 71 1HB SER 71 -8.741 -16.537 -10.806 497 HB3 SER 71 2HB SER 71 -7.747 -17.992 -10.849 498 HG SER 71 HG SER 71 -8.223 -16.686 -12.894 499 H GLY 72 H GLY 72 -8.270 -19.623 -9.144 500 HA2 GLY 72 1HA GLY 72 -8.035 -21.919 -8.692 501 HA3 GLY 72 2HA GLY 72 -9.044 -22.274 -10.085 502 H LYS 73 H LYS 73 -6.510 -23.476 -9.358 503 HA LYS 73 HA LYS 73 -4.596 -22.439 -11.281 504 HB2 LYS 73 1HB LYS 73 -4.515 -24.728 -9.316 505 HB3 LYS 73 2HB LYS 73 -3.219 -24.414 -10.463 506 HG2 LYS 73 1HG LYS 73 -2.642 -22.397 -9.441 507 HG3 LYS 73 2HG LYS 73 -4.175 -22.296 -8.571 508 HD2 LYS 73 1HD LYS 73 -2.310 -24.579 -8.064 509 HD3 LYS 73 2HD LYS 73 -2.016 -23.013 -7.305 510 HE2 LYS 73 1HE LYS 73 -4.161 -23.063 -6.235 511 HE3 LYS 73 2HE LYS 73 -4.625 -24.512 -7.126 512 HZ1 LYS 73 3HZ LYS 73 -3.994 -25.197 -4.972 513 HZ2 LYS 73 1HZ LYS 73 -2.575 -24.276 -4.999 514 HZ3 LYS 73 2HZ LYS 73 -2.717 -25.639 -5.991 515 H GLU 74 H GLU 74 -4.203 -23.253 -13.255 516 HA GLU 74 HA GLU 74 -5.847 -25.523 -14.124 517 HB2 GLU 74 1HB GLU 74 -6.094 -23.389 -15.357 518 HB3 GLU 74 2HB GLU 74 -4.392 -23.464 -15.792 519 HG2 GLU 74 1HG GLU 74 -5.620 -24.224 -17.661 520 HG3 GLU 74 2HG GLU 74 -4.868 -25.640 -16.930 521 H SER 75 H SER 75 -4.433 -27.102 -13.203 522 HA SER 75 HA SER 75 -1.693 -27.310 -13.813 523 HB2 SER 75 1HB SER 75 -2.016 -29.742 -13.162 524 HB3 SER 75 2HB SER 75 -2.530 -28.561 -11.959 525 HG SER 75 HG SER 75 -3.971 -30.478 -12.809 526 H GLY 76 H GLY 76 -4.428 -29.183 -15.148 527 HA2 GLY 76 1HA GLY 76 -4.783 -29.852 -17.344 528 HA3 GLY 76 2HA GLY 76 -3.278 -29.066 -17.797 529 HA PRO 77 HA PRO 77 -2.303 -33.549 -16.167 530 HB2 PRO 77 1HB PRO 77 -4.387 -35.277 -16.359 531 HB3 PRO 77 2HB PRO 77 -4.046 -34.343 -14.898 532 HG2 PRO 77 1HG PRO 77 -6.039 -33.808 -17.067 533 HG3 PRO 77 2HG PRO 77 -6.233 -33.668 -15.310 534 HD2 PRO 77 1HD PRO 77 -5.789 -31.523 -16.901 535 HD3 PRO 77 2HD PRO 77 -5.193 -31.613 -15.232 536 H SER 78 H SER 78 -4.612 -32.984 -18.768 537 HA SER 78 HA SER 78 -4.785 -33.832 -20.886 538 HB2 SER 78 1HB SER 78 -2.586 -32.393 -20.762 539 HB3 SER 78 2HB SER 78 -1.792 -33.950 -20.991 540 HG SER 78 HG SER 78 -2.685 -32.466 -22.871 541 H SER 79 H SER 79 -5.224 -35.865 -19.238 542 HA SER 79 HA SER 79 -3.780 -38.097 -20.498 543 HB2 SER 79 1HB SER 79 -2.977 -37.775 -18.170 544 HB3 SER 79 2HB SER 79 -4.629 -37.993 -17.593 545 HG SER 79 HG SER 79 -3.548 -39.963 -19.250 546 H GLY 80 H GLY 80 -5.283 -38.900 -21.840 547 HA2 GLY 80 1HA GLY 80 -7.236 -39.856 -22.573 548 HA3 GLY 80 2HA GLY 80 -7.439 -40.401 -20.915 Start of MODEL 13 1 H1 GLY 1 H GLY 1 23.294 -11.162 19.889 2 HA2 GLY 1 1HA GLY 1 20.885 -11.047 20.838 3 HA3 GLY 1 2HA GLY 1 21.690 -9.523 20.500 4 H SER 2 H SER 2 20.394 -11.877 18.195 5 HA SER 2 HA SER 2 19.086 -9.837 16.697 6 HB2 SER 2 1HB SER 2 20.016 -12.134 15.899 7 HB3 SER 2 2HB SER 2 18.449 -12.760 16.410 8 HG SER 2 HG SER 2 18.729 -10.555 14.655 9 H SER 3 H SER 3 17.371 -8.812 17.502 10 HA SER 3 HA SER 3 15.327 -10.378 18.924 11 HB2 SER 3 1HB SER 3 15.895 -7.405 18.956 12 HB3 SER 3 2HB SER 3 14.553 -8.174 19.803 13 HG SER 3 HG SER 3 15.991 -9.231 21.110 14 H GLY 4 H GLY 4 13.049 -9.554 18.620 15 HA2 GLY 4 1HA GLY 4 12.551 -9.346 15.752 16 HA3 GLY 4 2HA GLY 4 11.364 -9.733 16.988 17 H SER 5 H SER 5 12.585 -7.335 14.959 18 HA SER 5 HA SER 5 11.293 -5.198 16.511 19 HB2 SER 5 1HB SER 5 13.733 -5.000 15.697 20 HB3 SER 5 2HB SER 5 13.038 -4.764 14.093 21 HG SER 5 HG SER 5 11.705 -3.093 15.321 22 H SER 6 H SER 6 9.164 -5.750 15.912 23 HA SER 6 HA SER 6 8.470 -5.665 13.084 24 HB2 SER 6 1HB SER 6 7.086 -6.515 15.585 25 HB3 SER 6 2HB SER 6 6.087 -5.978 14.234 26 HG SER 6 HG SER 6 6.915 -7.596 12.981 27 H GLY 7 H GLY 7 6.357 -4.423 12.590 28 HA2 GLY 7 1HA GLY 7 5.271 -2.316 13.813 29 HA3 GLY 7 2HA GLY 7 6.839 -1.660 13.367 30 H ALA 8 H ALA 8 7.421 -1.990 10.995 31 HA ALA 8 HA ALA 8 5.670 -0.606 9.377 32 HB1 ALA 8 3HB ALA 8 7.012 -1.605 7.462 33 HB2 ALA 8 1HB ALA 8 7.915 -0.722 8.693 34 HB3 ALA 8 2HB ALA 8 7.912 -2.486 8.696 35 H THR 9 H THR 9 4.766 -1.477 7.241 36 HA THR 9 HA THR 9 3.496 -4.101 7.633 37 HB THR 9 HB THR 9 2.104 -1.537 6.849 38 HG1 THR 9 1HG THR 9 1.722 -3.405 8.971 39 HG21 THR 9 3HG2 THR 9 0.827 -2.809 5.516 40 HG22 THR 9 1HG2 THR 9 0.171 -3.490 7.004 41 HG23 THR 9 2HG2 THR 9 1.490 -4.308 6.167 42 H SER 10 H SER 10 3.687 -5.387 5.921 43 HA SER 10 HA SER 10 4.767 -4.305 3.450 44 HB2 SER 10 1HB SER 10 5.047 -6.674 2.804 45 HB3 SER 10 2HB SER 10 5.776 -6.336 4.374 46 HG SER 10 HG SER 10 4.621 -8.034 4.904 47 H TYR 11 H TYR 11 3.767 -4.330 1.478 48 HA TYR 11 HA TYR 11 0.935 -5.145 1.454 49 HB2 TYR 11 1HB TYR 11 2.210 -2.776 0.071 50 HB3 TYR 11 2HB TYR 11 0.541 -3.289 -0.150 51 HD1 TYR 11 2HD TYR 11 2.883 -2.423 2.636 52 HD2 TYR 11 1HD TYR 11 -1.073 -2.201 1.084 53 HE1 TYR 11 2HE TYR 11 2.212 -1.045 4.559 54 HE2 TYR 11 1HE TYR 11 -1.755 -0.822 3.003 55 HH TYR 11 HH TYR 11 -0.461 -0.648 5.696 56 H MET 12 H MET 12 0.107 -5.453 -0.840 57 HA MET 12 HA MET 12 2.148 -6.898 -2.396 58 HB2 MET 12 1HB MET 12 0.483 -8.414 -1.537 59 HB3 MET 12 2HB MET 12 -0.820 -7.392 -2.130 60 HG2 MET 12 1HG MET 12 -0.789 -9.009 -3.734 61 HG3 MET 12 2HG MET 12 0.302 -7.824 -4.450 62 HE1 MET 12 3HE MET 12 2.741 -10.277 -5.659 63 HE2 MET 12 1HE MET 12 1.362 -9.243 -6.035 64 HE3 MET 12 2HE MET 12 2.797 -8.556 -5.274 65 H THR 13 H THR 13 2.630 -6.124 -4.338 66 HA THR 13 HA THR 13 1.270 -3.847 -5.403 67 HB THR 13 HB THR 13 2.889 -3.861 -7.164 68 HG1 THR 13 1HG THR 13 4.093 -5.639 -7.674 69 HG21 THR 13 3HG2 THR 13 5.042 -4.202 -5.842 70 HG22 THR 13 1HG2 THR 13 4.011 -4.689 -4.498 71 HG23 THR 13 2HG2 THR 13 3.872 -3.066 -5.173 72 H CYS 14 H CYS 14 -0.241 -3.724 -6.959 73 HA CYS 14 HA CYS 14 -1.305 -6.240 -8.003 74 HB2 CYS 14 1HB CYS 14 -2.840 -4.640 -6.875 75 HB3 CYS 14 2HB CYS 14 -2.493 -3.462 -8.134 76 HG CYS 14 HG CYS 14 -4.969 -5.347 -8.133 77 H SER 15 H SER 15 0.513 -3.511 -8.975 78 HA SER 15 HA SER 15 0.677 -4.546 -11.679 79 HB2 SER 15 1HB SER 15 -1.245 -2.782 -11.464 80 HB3 SER 15 2HB SER 15 0.077 -1.616 -11.419 81 HG SER 15 HG SER 15 -0.896 -2.273 -13.554 82 H ALA 16 H ALA 16 2.344 -3.338 -12.964 83 HA ALA 16 HA ALA 16 4.672 -2.936 -11.311 84 HB1 ALA 16 3HB ALA 16 5.893 -3.327 -13.176 85 HB2 ALA 16 1HB ALA 16 4.374 -4.023 -13.739 86 HB3 ALA 16 2HB ALA 16 4.822 -2.383 -14.210 87 H TYR 17 H TYR 17 5.557 -1.056 -10.716 88 HA TYR 17 HA TYR 17 4.373 1.414 -11.792 89 HB2 TYR 17 1HB TYR 17 3.943 1.553 -9.536 90 HB3 TYR 17 2HB TYR 17 5.379 0.636 -9.095 91 HD1 TYR 17 2HD TYR 17 7.653 1.806 -9.389 92 HD2 TYR 17 1HD TYR 17 3.938 3.882 -9.372 93 HE1 TYR 17 2HE TYR 17 8.831 3.899 -8.856 94 HE2 TYR 17 1HE TYR 17 5.106 5.980 -8.841 95 HH TYR 17 HH TYR 17 7.078 6.971 -8.564 96 H GLN 18 H GLN 18 5.686 3.117 -12.425 97 HA GLN 18 HA GLN 18 8.508 2.404 -12.861 98 HB2 GLN 18 1HB GLN 18 7.363 2.691 -14.949 99 HB3 GLN 18 2HB GLN 18 6.658 4.211 -14.417 100 HG2 GLN 18 1HG GLN 18 8.676 5.356 -14.611 101 HG3 GLN 18 2HG GLN 18 9.623 3.869 -14.627 102 HE21 GLN 18 1HE2 GLN 18 10.662 4.133 -16.528 103 HE22 GLN 18 2HE2 GLN 18 9.874 4.216 -18.063 104 H LYS 19 H LYS 19 10.030 3.556 -11.875 105 HA LYS 19 HA LYS 19 9.360 5.641 -10.064 106 HB2 LYS 19 1HB LYS 19 11.918 5.872 -9.942 107 HB3 LYS 19 2HB LYS 19 11.206 4.350 -9.425 108 HG2 LYS 19 1HG LYS 19 11.922 3.227 -11.344 109 HG3 LYS 19 2HG LYS 19 12.225 4.731 -12.217 110 HD2 LYS 19 1HD LYS 19 13.747 4.064 -9.721 111 HD3 LYS 19 2HD LYS 19 14.237 3.407 -11.285 112 HE2 LYS 19 1HE LYS 19 14.066 5.895 -12.057 113 HE3 LYS 19 2HE LYS 19 14.214 6.240 -10.334 114 HZ1 LYS 19 3HZ LYS 19 16.396 6.166 -10.792 115 HZ2 LYS 19 1HZ LYS 19 16.197 5.247 -12.198 116 HZ3 LYS 19 2HZ LYS 19 16.198 4.490 -10.686 117 H VAL 20 H VAL 20 9.805 7.836 -10.151 118 HA VAL 20 HA VAL 20 10.225 8.898 -12.862 119 HB VAL 20 HB VAL 20 8.942 10.214 -10.463 120 HG11 VAL 20 1HG1 VAL 20 8.235 11.837 -12.395 121 HG12 VAL 20 2HG1 VAL 20 9.799 12.020 -11.598 122 HG13 VAL 20 3HG1 VAL 20 9.696 11.220 -13.167 123 HG21 VAL 20 3HG2 VAL 20 7.038 9.281 -11.124 124 HG22 VAL 20 1HG2 VAL 20 7.226 10.000 -12.724 125 HG23 VAL 20 2HG2 VAL 20 7.908 8.409 -12.386 126 H GLN 21 H GLN 21 11.544 8.771 -9.687 127 HA GLN 21 HA GLN 21 13.700 10.578 -10.535 128 HB2 GLN 21 1HB GLN 21 12.553 10.509 -7.741 129 HB3 GLN 21 2HB GLN 21 13.818 11.575 -8.338 130 HG2 GLN 21 1HG GLN 21 11.934 12.271 -10.049 131 HG3 GLN 21 2HG GLN 21 10.885 11.683 -8.760 132 HE21 GLN 21 1HE2 GLN 21 12.682 14.272 -9.913 133 HE22 GLN 21 2HE2 GLN 21 12.609 15.280 -8.511 134 H ASP 22 H ASP 22 15.754 10.161 -9.584 135 HA ASP 22 HA ASP 22 16.532 7.529 -9.472 136 HB2 ASP 22 1HB ASP 22 18.626 8.284 -8.569 137 HB3 ASP 22 2HB ASP 22 18.043 9.521 -9.680 138 H SER 23 H SER 23 15.062 9.440 -6.991 139 HA SER 23 HA SER 23 15.845 7.845 -4.769 140 HB2 SER 23 1HB SER 23 13.538 9.770 -5.129 141 HB3 SER 23 2HB SER 23 13.976 9.025 -3.591 142 HG SER 23 HG SER 23 15.874 10.136 -3.590 143 H GLU 24 H GLU 24 12.938 7.948 -6.801 144 HA GLU 24 HA GLU 24 11.604 5.852 -5.407 145 HB2 GLU 24 1HB GLU 24 11.137 6.904 -8.203 146 HB3 GLU 24 2HB GLU 24 10.036 5.875 -7.297 147 HG2 GLU 24 1HG GLU 24 9.411 7.565 -5.869 148 HG3 GLU 24 2HG GLU 24 10.889 8.486 -6.141 149 H ILE 25 H ILE 25 10.949 3.796 -6.490 150 HA ILE 25 HA ILE 25 13.000 2.737 -8.299 151 HB ILE 25 HB ILE 25 13.890 1.865 -6.357 152 HG12 ILE 25 1HG1 ILE 25 12.988 0.101 -8.056 153 HG13 ILE 25 2HG1 ILE 25 13.595 -0.438 -6.494 154 HG21 ILE 25 1HG2 ILE 25 12.696 2.366 -4.526 155 HG22 ILE 25 2HG2 ILE 25 11.154 2.142 -5.350 156 HG23 ILE 25 3HG2 ILE 25 12.026 0.746 -4.719 157 HD11 ILE 25 3HD1 ILE 25 11.163 -1.068 -7.613 158 HD12 ILE 25 1HD1 ILE 25 11.627 -1.289 -5.927 159 HD13 ILE 25 2HD1 ILE 25 10.764 0.167 -6.420 160 H SER 26 H SER 26 12.268 1.290 -9.780 161 HA SER 26 HA SER 26 9.381 0.934 -9.925 162 HB2 SER 26 1HB SER 26 9.811 0.152 -12.223 163 HB3 SER 26 2HB SER 26 10.553 1.724 -11.930 164 HG SER 26 HG SER 26 12.246 0.720 -12.711 165 H PHE 27 H PHE 27 8.351 -0.926 -9.546 166 HA PHE 27 HA PHE 27 9.959 -3.380 -9.290 167 HB2 PHE 27 1HB PHE 27 8.236 -4.031 -7.500 168 HB3 PHE 27 2HB PHE 27 9.449 -2.834 -7.058 169 HD1 PHE 27 1HD PHE 27 5.916 -3.389 -7.843 170 HD2 PHE 27 2HD PHE 27 8.846 -0.550 -6.631 171 HE1 PHE 27 1HE PHE 27 4.129 -1.830 -7.187 172 HE2 PHE 27 2HE PHE 27 7.064 1.013 -5.972 173 HZ PHE 27 HZ PHE 27 4.702 0.374 -6.249 174 HA PRO 28 HA PRO 28 7.127 -5.240 -12.089 175 HB2 PRO 28 1HB PRO 28 7.334 -7.835 -11.319 176 HB3 PRO 28 2HB PRO 28 8.609 -6.992 -12.207 177 HG2 PRO 28 1HG PRO 28 8.391 -7.545 -9.273 178 HG3 PRO 28 2HG PRO 28 9.805 -7.680 -10.335 179 HD2 PRO 28 1HD PRO 28 9.408 -5.559 -8.699 180 HD3 PRO 28 2HD PRO 28 10.229 -5.415 -10.266 181 H ALA 29 H ALA 29 5.187 -6.673 -12.157 182 HA ALA 29 HA ALA 29 3.450 -6.051 -9.902 183 HB1 ALA 29 3HB ALA 29 2.737 -5.555 -12.226 184 HB2 ALA 29 1HB ALA 29 2.724 -7.288 -12.554 185 HB3 ALA 29 2HB ALA 29 1.619 -6.608 -11.358 186 H GLY 30 H GLY 30 3.654 -7.486 -8.276 187 HA2 GLY 30 1HA GLY 30 2.542 -9.704 -7.738 188 HA3 GLY 30 2HA GLY 30 3.615 -10.356 -8.968 189 H VAL 31 H VAL 31 4.592 -7.850 -6.730 190 HA VAL 31 HA VAL 31 6.189 -9.822 -5.240 191 HB VAL 31 HB VAL 31 8.072 -8.230 -5.175 192 HG11 VAL 31 1HG1 VAL 31 8.818 -8.552 -7.501 193 HG12 VAL 31 2HG1 VAL 31 8.097 -10.012 -6.818 194 HG13 VAL 31 3HG1 VAL 31 7.176 -9.016 -7.946 195 HG21 VAL 31 3HG2 VAL 31 6.187 -6.593 -6.801 196 HG22 VAL 31 1HG2 VAL 31 7.282 -6.103 -5.508 197 HG23 VAL 31 2HG2 VAL 31 7.917 -6.460 -7.114 198 H GLU 32 H GLU 32 6.604 -9.334 -3.079 199 HA GLU 32 HA GLU 32 4.748 -7.411 -1.915 200 HB2 GLU 32 1HB GLU 32 5.009 -9.834 -1.124 201 HB3 GLU 32 2HB GLU 32 6.527 -9.315 -0.404 202 HG2 GLU 32 1HG GLU 32 5.392 -7.762 1.021 203 HG3 GLU 32 2HG GLU 32 3.858 -8.072 0.210 204 H VAL 33 H VAL 33 5.333 -5.639 -0.755 205 HA VAL 33 HA VAL 33 8.216 -5.095 -0.483 206 HB VAL 33 HB VAL 33 7.686 -2.680 -0.870 207 HG11 VAL 33 1HG1 VAL 33 8.042 -4.762 -2.725 208 HG12 VAL 33 2HG1 VAL 33 6.851 -3.665 -3.426 209 HG13 VAL 33 3HG1 VAL 33 8.429 -3.054 -2.928 210 HG21 VAL 33 3HG2 VAL 33 5.498 -2.449 -2.304 211 HG22 VAL 33 1HG2 VAL 33 4.991 -3.852 -1.365 212 HG23 VAL 33 2HG2 VAL 33 5.435 -2.356 -0.544 213 H GLN 34 H GLN 34 8.590 -3.208 1.078 214 HA GLN 34 HA GLN 34 6.769 -3.501 3.376 215 HB2 GLN 34 1HB GLN 34 9.165 -4.479 3.501 216 HB3 GLN 34 2HB GLN 34 9.679 -2.804 3.645 217 HG2 GLN 34 1HG GLN 34 7.994 -2.663 5.573 218 HG3 GLN 34 2HG GLN 34 8.015 -4.426 5.529 219 HE21 GLN 34 1HE2 GLN 34 9.922 -5.521 6.059 220 HE22 GLN 34 2HE2 GLN 34 11.190 -4.756 6.949 221 H VAL 35 H VAL 35 5.723 -1.709 3.897 222 HA VAL 35 HA VAL 35 6.515 0.840 2.799 223 HB VAL 35 HB VAL 35 4.179 -0.058 4.467 224 HG11 VAL 35 1HG1 VAL 35 3.492 2.462 3.829 225 HG12 VAL 35 2HG1 VAL 35 4.225 2.013 5.370 226 HG13 VAL 35 3HG1 VAL 35 5.226 2.673 4.076 227 HG21 VAL 35 3HG2 VAL 35 4.420 -0.381 1.907 228 HG22 VAL 35 1HG2 VAL 35 2.907 0.254 2.553 229 HG23 VAL 35 2HG2 VAL 35 4.083 1.348 1.825 230 H LEU 36 H LEU 36 8.212 1.795 3.754 231 HA LEU 36 HA LEU 36 8.829 1.540 6.519 232 HB2 LEU 36 1HB LEU 36 9.825 3.593 4.550 233 HB3 LEU 36 2HB LEU 36 10.565 3.176 6.095 234 HG LEU 36 HG LEU 36 10.286 1.195 3.847 235 HD11 LEU 36 1HD1 LEU 36 12.650 1.690 3.334 236 HD12 LEU 36 2HD1 LEU 36 12.572 3.071 4.428 237 HD13 LEU 36 3HD1 LEU 36 11.570 3.038 2.977 238 HD21 LEU 36 3HD2 LEU 36 11.163 1.061 6.552 239 HD22 LEU 36 1HD2 LEU 36 12.549 0.793 5.495 240 HD23 LEU 36 2HD2 LEU 36 11.114 -0.220 5.340 241 H GLU 37 H GLU 37 7.826 4.391 4.616 242 HA GLU 37 HA GLU 37 6.394 5.364 6.991 243 HB2 GLU 37 1HB GLU 37 8.709 6.469 6.466 244 HB3 GLU 37 2HB GLU 37 7.816 7.295 5.196 245 HG2 GLU 37 1HG GLU 37 7.892 8.703 7.121 246 HG3 GLU 37 2HG GLU 37 6.239 8.130 6.909 247 H LYS 38 H LYS 38 4.688 6.895 6.523 248 HA LYS 38 HA LYS 38 3.683 6.692 3.760 249 HB2 LYS 38 1HB LYS 38 2.154 6.480 6.355 250 HB3 LYS 38 2HB LYS 38 1.377 6.727 4.796 251 HG2 LYS 38 1HG LYS 38 2.249 4.618 3.991 252 HG3 LYS 38 2HG LYS 38 3.122 4.377 5.506 253 HD2 LYS 38 1HD LYS 38 0.864 4.519 6.659 254 HD3 LYS 38 2HD LYS 38 0.146 4.391 5.051 255 HE2 LYS 38 1HE LYS 38 0.821 2.216 4.775 256 HE3 LYS 38 2HE LYS 38 2.200 2.393 5.860 257 HZ1 LYS 38 3HZ LYS 38 -0.108 2.788 7.367 258 HZ2 LYS 38 1HZ LYS 38 0.982 1.497 7.456 259 HZ3 LYS 38 2HZ LYS 38 -0.364 1.399 6.436 260 H GLN 39 H GLN 39 2.740 8.499 2.874 261 HA GLN 39 HA GLN 39 2.951 10.962 4.475 262 HB2 GLN 39 1HB GLN 39 3.467 10.417 1.568 263 HB3 GLN 39 2HB GLN 39 3.075 12.041 2.117 264 HG2 GLN 39 1HG GLN 39 5.293 10.477 3.378 265 HG3 GLN 39 2HG GLN 39 5.541 11.380 1.885 266 HE21 GLN 39 1HE2 GLN 39 5.947 11.540 5.088 267 HE22 GLN 39 2HE2 GLN 39 5.852 13.248 5.333 268 H GLU 40 H GLU 40 1.161 12.117 4.805 269 HA GLU 40 HA GLU 40 -1.381 11.248 4.361 270 HB2 GLU 40 1HB GLU 40 -2.123 13.585 4.669 271 HB3 GLU 40 2HB GLU 40 -0.905 13.106 5.842 272 HG2 GLU 40 1HG GLU 40 0.785 14.336 4.712 273 HG3 GLU 40 2HG GLU 40 -0.273 14.636 3.334 274 H SER 41 H SER 41 0.699 12.930 2.120 275 HA SER 41 HA SER 41 -1.096 13.865 0.245 276 HB2 SER 41 1HB SER 41 1.676 12.719 -0.063 277 HB3 SER 41 2HB SER 41 0.778 13.368 -1.435 278 HG SER 41 HG SER 41 2.043 14.677 0.609 279 H GLY 42 H GLY 42 0.382 10.627 0.393 280 HA2 GLY 42 1HA GLY 42 -1.565 8.940 -0.086 281 HA3 GLY 42 2HA GLY 42 -1.489 9.706 -1.666 282 H TRP 43 H TRP 43 1.540 9.972 -1.076 283 HA TRP 43 HA TRP 43 2.206 7.374 -2.235 284 HB2 TRP 43 1HB TRP 43 3.682 9.998 -2.064 285 HB3 TRP 43 2HB TRP 43 4.468 8.515 -2.597 286 HD1 TRP 43 HD TRP 43 1.266 10.497 -3.580 287 HE1 TRP 43 1HE TRP 43 1.056 10.425 -6.145 288 HE3 TRP 43 3HE TRP 43 5.344 7.605 -4.646 289 HZ2 TRP 43 2HZ TRP 43 2.437 9.290 -8.330 290 HZ3 TRP 43 3HZ TRP 43 5.830 7.072 -6.998 291 HH2 TRP 43 HH TRP 43 4.405 7.897 -8.801 292 H TRP 44 H TRP 44 3.373 5.855 -1.216 293 HA TRP 44 HA TRP 44 4.412 6.516 1.461 294 HB2 TRP 44 1HB TRP 44 3.527 3.797 0.479 295 HB3 TRP 44 2HB TRP 44 3.969 4.239 2.126 296 HD1 TRP 44 HD TRP 44 2.109 7.088 1.583 297 HE1 TRP 44 1HE TRP 44 -0.406 6.832 2.066 298 HE3 TRP 44 3HE TRP 44 1.774 1.988 1.453 299 HZ2 TRP 44 2HZ TRP 44 -2.283 4.744 2.354 300 HZ3 TRP 44 3HZ TRP 44 -0.418 0.940 1.843 301 HH2 TRP 44 HH TRP 44 -2.403 2.291 2.285 302 H TYR 45 H TYR 45 6.359 5.473 2.144 303 HA TYR 45 HA TYR 45 8.213 5.066 -0.068 304 HB2 TYR 45 1HB TYR 45 8.580 6.550 2.067 305 HB3 TYR 45 2HB TYR 45 9.041 5.022 2.810 306 HD1 TYR 45 1HD TYR 45 9.674 6.317 -0.631 307 HD2 TYR 45 2HD TYR 45 11.344 5.107 3.090 308 HE1 TYR 45 1HE TYR 45 11.932 6.544 -1.578 309 HE2 TYR 45 2HE TYR 45 13.608 5.332 2.154 310 HH TYR 45 HH TYR 45 14.109 6.326 -1.221 311 H VAL 46 H VAL 46 8.253 3.048 -0.833 312 HA VAL 46 HA VAL 46 8.107 0.801 1.052 313 HB VAL 46 HB VAL 46 7.934 -0.529 -1.173 314 HG11 VAL 46 1HG1 VAL 46 6.095 -0.438 0.327 315 HG12 VAL 46 2HG1 VAL 46 5.756 1.243 -0.086 316 HG13 VAL 46 3HG1 VAL 46 5.470 -0.032 -1.271 317 HG21 VAL 46 3HG2 VAL 46 6.760 1.975 -2.273 318 HG22 VAL 46 1HG2 VAL 46 8.504 1.736 -2.391 319 HG23 VAL 46 2HG2 VAL 46 7.402 0.565 -3.114 320 H ARG 47 H ARG 47 9.488 -1.111 0.505 321 HA ARG 47 HA ARG 47 12.099 -0.300 -0.581 322 HB2 ARG 47 1HB ARG 47 12.287 -0.266 1.836 323 HB3 ARG 47 2HB ARG 47 11.589 -1.876 1.946 324 HG2 ARG 47 1HG ARG 47 13.514 -2.847 0.894 325 HG3 ARG 47 2HG ARG 47 14.193 -1.249 0.574 326 HD2 ARG 47 1HD ARG 47 15.225 -2.369 2.522 327 HD3 ARG 47 2HD ARG 47 14.456 -0.837 2.933 328 HE ARG 47 HE ARG 47 12.670 -3.006 3.323 329 HH11 ARG 47 1HH1 ARG 47 15.439 -1.423 4.719 330 HH12 ARG 47 2HH1 ARG 47 15.066 -1.911 6.338 331 HH21 ARG 47 1HH2 ARG 47 12.168 -3.655 5.451 332 HH22 ARG 47 2HH2 ARG 47 13.205 -3.182 6.754 333 H PHE 48 H PHE 48 12.818 -1.610 -2.123 334 HA PHE 48 HA PHE 48 11.728 -4.345 -2.253 335 HB2 PHE 48 1HB PHE 48 10.903 -2.864 -4.068 336 HB3 PHE 48 2HB PHE 48 12.568 -2.600 -4.577 337 HD1 PHE 48 2HD PHE 48 10.775 -5.698 -3.545 338 HD2 PHE 48 1HD PHE 48 12.835 -3.609 -6.629 339 HE1 PHE 48 2HE PHE 48 10.650 -7.694 -4.977 340 HE2 PHE 48 1HE PHE 48 12.713 -5.602 -8.066 341 HZ PHE 48 HZ PHE 48 11.620 -7.649 -7.240 342 H GLY 49 H GLY 49 13.392 -5.401 -1.229 343 HA2 GLY 49 1HA GLY 49 15.352 -6.639 -1.308 344 HA3 GLY 49 2HA GLY 49 15.770 -5.822 -2.806 345 H GLU 50 H GLU 50 17.134 -4.096 -2.767 346 HA GLU 50 HA GLU 50 18.089 -3.233 -0.116 347 HB2 GLU 50 1HB GLU 50 20.332 -2.989 -1.081 348 HB3 GLU 50 2HB GLU 50 19.759 -4.648 -1.192 349 HG2 GLU 50 1HG GLU 50 19.118 -4.214 -3.547 350 HG3 GLU 50 2HG GLU 50 19.851 -2.617 -3.409 351 H LEU 51 H LEU 51 16.066 -2.093 -1.999 352 HA LEU 51 HA LEU 51 17.224 0.599 -2.138 353 HB2 LEU 51 1HB LEU 51 15.515 -0.626 -4.298 354 HB3 LEU 51 2HB LEU 51 16.180 1.007 -4.286 355 HG LEU 51 HG LEU 51 17.929 -1.441 -4.298 356 HD11 LEU 51 1HD1 LEU 51 17.461 -1.838 -6.425 357 HD12 LEU 51 2HD1 LEU 51 17.840 -0.167 -6.842 358 HD13 LEU 51 3HD1 LEU 51 16.199 -0.607 -6.370 359 HD21 LEU 51 3HD2 LEU 51 18.370 1.457 -5.006 360 HD22 LEU 51 1HD2 LEU 51 19.549 0.169 -5.260 361 HD23 LEU 51 2HD2 LEU 51 19.037 0.586 -3.624 362 H GLU 52 H GLU 52 15.653 2.317 -2.092 363 HA GLU 52 HA GLU 52 12.981 1.513 -1.175 364 HB2 GLU 52 1HB GLU 52 14.720 3.600 0.153 365 HB3 GLU 52 2HB GLU 52 13.061 3.216 0.594 366 HG2 GLU 52 1HG GLU 52 13.632 1.254 1.606 367 HG3 GLU 52 2HG GLU 52 15.061 1.022 0.601 368 H GLY 53 H GLY 53 11.475 2.454 -2.375 369 HA2 GLY 53 1HA GLY 53 11.990 5.174 -3.395 370 HA3 GLY 53 2HA GLY 53 11.374 3.919 -4.460 371 H TRP 54 H TRP 54 10.106 6.410 -3.920 372 HA TRP 54 HA TRP 54 7.914 5.848 -2.108 373 HB2 TRP 54 1HB TRP 54 8.568 8.216 -3.865 374 HB3 TRP 54 2HB TRP 54 7.103 8.114 -2.893 375 HD1 TRP 54 HD TRP 54 10.877 8.602 -2.579 376 HE1 TRP 54 1HE TRP 54 11.407 9.444 -0.205 377 HE3 TRP 54 3HE TRP 54 6.249 8.063 -0.475 378 HZ2 TRP 54 2HZ TRP 54 10.044 9.827 2.237 379 HZ3 TRP 54 3HZ TRP 54 5.946 8.690 1.885 380 HH2 TRP 54 HH TRP 54 7.806 9.553 3.211 381 H ALA 55 H ALA 55 6.505 4.373 -2.849 382 HA ALA 55 HA ALA 55 5.617 4.537 -5.642 383 HB1 ALA 55 3HB ALA 55 6.470 2.364 -4.615 384 HB2 ALA 55 1HB ALA 55 4.947 2.324 -3.726 385 HB3 ALA 55 2HB ALA 55 4.941 2.297 -5.490 386 HA PRO 56 HA PRO 56 1.719 6.242 -4.532 387 HB2 PRO 56 1HB PRO 56 0.201 5.295 -6.574 388 HB3 PRO 56 2HB PRO 56 1.390 6.587 -6.780 389 HG2 PRO 56 1HG PRO 56 1.638 3.668 -7.397 390 HG3 PRO 56 2HG PRO 56 2.170 5.063 -8.354 391 HD2 PRO 56 1HD PRO 56 3.869 3.612 -6.825 392 HD3 PRO 56 2HD PRO 56 4.082 5.353 -7.100 393 H SER 57 H SER 57 0.344 5.616 -3.001 394 HA SER 57 HA SER 57 0.006 3.017 -2.106 395 HB2 SER 57 1HB SER 57 -0.674 4.536 -0.519 396 HB3 SER 57 2HB SER 57 -1.471 5.575 -1.701 397 HG SER 57 HG SER 57 -2.692 4.014 -0.120 398 H HIS 58 H HIS 58 -1.445 4.594 -4.783 399 HA HIS 58 HA HIS 58 -3.827 3.080 -4.987 400 HB2 HIS 58 1HB HIS 58 -2.316 4.260 -7.315 401 HB3 HIS 58 2HB HIS 58 -4.051 3.993 -7.171 402 HD1 HIS 58 1HD HIS 58 -1.321 6.308 -6.036 403 HD2 HIS 58 2HD HIS 58 -5.462 6.010 -5.887 404 HE1 HIS 58 1HE HIS 58 -2.126 8.542 -5.209 405 HE2 HIS 58 2HE HIS 58 -4.629 8.310 -5.046 406 H TYR 59 H TYR 59 -0.548 2.585 -6.172 407 HA TYR 59 HA TYR 59 -1.250 0.244 -7.694 408 HB2 TYR 59 1HB TYR 59 1.363 1.560 -6.977 409 HB3 TYR 59 2HB TYR 59 1.304 0.014 -7.816 410 HD1 TYR 59 1HD TYR 59 -0.306 3.382 -8.100 411 HD2 TYR 59 2HD TYR 59 1.518 0.102 -10.104 412 HE1 TYR 59 1HE TYR 59 -0.552 4.563 -10.244 413 HE2 TYR 59 2HE TYR 59 1.278 1.274 -12.253 414 HH TYR 59 HH TYR 59 -0.339 3.126 -13.168 415 H LEU 60 H LEU 60 -0.689 0.889 -4.438 416 HA LEU 60 HA LEU 60 0.298 -1.798 -3.847 417 HB2 LEU 60 1HB LEU 60 -0.216 0.552 -2.030 418 HB3 LEU 60 2HB LEU 60 0.487 -0.987 -1.536 419 HG LEU 60 HG LEU 60 1.751 0.903 -3.518 420 HD11 LEU 60 1HD1 LEU 60 1.501 1.266 -0.776 421 HD12 LEU 60 2HD1 LEU 60 2.650 2.063 -1.851 422 HD13 LEU 60 3HD1 LEU 60 3.118 0.595 -0.993 423 HD21 LEU 60 3HD2 LEU 60 3.718 -0.466 -3.235 424 HD22 LEU 60 1HD2 LEU 60 2.365 -1.480 -3.738 425 HD23 LEU 60 2HD2 LEU 60 2.885 -1.477 -2.052 426 H VAL 61 H VAL 61 -0.891 -3.354 -2.867 427 HA VAL 61 HA VAL 61 -3.766 -2.888 -2.683 428 HB VAL 61 HB VAL 61 -2.275 -5.495 -2.368 429 HG11 VAL 61 1HG1 VAL 61 -4.273 -6.218 -1.691 430 HG12 VAL 61 2HG1 VAL 61 -5.061 -4.709 -2.156 431 HG13 VAL 61 3HG1 VAL 61 -4.813 -5.981 -3.353 432 HG21 VAL 61 3HG2 VAL 61 -2.475 -5.908 -4.636 433 HG22 VAL 61 1HG2 VAL 61 -3.740 -4.698 -4.850 434 HG23 VAL 61 2HG2 VAL 61 -2.068 -4.193 -4.608 435 H LEU 62 H LEU 62 -4.840 -2.708 -0.822 436 HA LEU 62 HA LEU 62 -3.366 -2.780 1.666 437 HB2 LEU 62 1HB LEU 62 -6.285 -2.199 1.187 438 HB3 LEU 62 2HB LEU 62 -5.380 -1.880 2.665 439 HG LEU 62 HG LEU 62 -5.771 0.174 1.434 440 HD11 LEU 62 1HD1 LEU 62 -2.899 -0.738 1.371 441 HD12 LEU 62 2HD1 LEU 62 -3.733 0.046 2.713 442 HD13 LEU 62 3HD1 LEU 62 -3.433 0.937 1.221 443 HD21 LEU 62 3HD2 LEU 62 -5.809 -1.075 -0.814 444 HD22 LEU 62 1HD2 LEU 62 -4.059 -0.856 -0.801 445 HD23 LEU 62 2HD2 LEU 62 -5.124 0.550 -0.772 446 H ASP 63 H ASP 63 -2.959 -4.814 2.343 447 HA ASP 63 HA ASP 63 -3.327 -7.061 2.771 448 HB2 ASP 63 1HB ASP 63 -4.165 -5.506 4.733 449 HB3 ASP 63 2HB ASP 63 -5.739 -6.162 4.291 450 H GLU 64 H GLU 64 -4.594 -6.258 0.314 451 HA GLU 64 HA GLU 64 -6.924 -8.063 0.340 452 HB2 GLU 64 1HB GLU 64 -6.502 -5.425 -0.968 453 HB3 GLU 64 2HB GLU 64 -7.414 -6.632 -1.864 454 HG2 GLU 64 1HG GLU 64 -8.839 -6.871 0.232 455 HG3 GLU 64 2HG GLU 64 -8.070 -5.382 0.779 456 H ASN 65 H ASN 65 -7.368 -8.651 -2.162 457 HA ASN 65 HA ASN 65 -6.667 -10.295 -3.627 458 HB2 ASN 65 1HB ASN 65 -4.617 -8.154 -4.228 459 HB3 ASN 65 2HB ASN 65 -5.235 -9.370 -5.342 460 HD21 ASN 65 1HD2 ASN 65 -7.820 -9.327 -5.221 461 HD22 ASN 65 2HD2 ASN 65 -8.481 -7.761 -5.530 462 H GLU 66 H GLU 66 -5.712 -11.106 -1.268 463 HA GLU 66 HA GLU 66 -2.931 -11.895 -1.844 464 HB2 GLU 66 1HB GLU 66 -2.950 -12.293 0.758 465 HB3 GLU 66 2HB GLU 66 -2.644 -10.694 0.095 466 HG2 GLU 66 1HG GLU 66 -4.916 -10.029 0.517 467 HG3 GLU 66 2HG GLU 66 -5.331 -11.659 1.045 468 H GLN 67 H GLN 67 -4.105 -13.603 -3.097 469 HA GLN 67 HA GLN 67 -5.292 -15.698 -1.447 470 HB2 GLN 67 1HB GLN 67 -5.078 -15.302 -4.428 471 HB3 GLN 67 2HB GLN 67 -5.673 -16.795 -3.713 472 HG2 GLN 67 1HG GLN 67 -6.889 -14.057 -3.571 473 HG3 GLN 67 2HG GLN 67 -7.569 -15.523 -4.275 474 HE21 GLN 67 1HE2 GLN 67 -7.266 -13.609 -1.490 475 HE22 GLN 67 2HE2 GLN 67 -8.111 -14.643 -0.395 476 HA PRO 68 HA PRO 68 -1.742 -18.274 -1.330 477 HB2 PRO 68 1HB PRO 68 -2.863 -20.742 -1.474 478 HB3 PRO 68 2HB PRO 68 -2.975 -19.718 -0.037 479 HG2 PRO 68 1HG PRO 68 -4.985 -20.157 -2.212 480 HG3 PRO 68 2HG PRO 68 -5.234 -20.074 -0.458 481 HD2 PRO 68 1HD PRO 68 -5.757 -17.988 -2.103 482 HD3 PRO 68 2HD PRO 68 -5.193 -17.770 -0.433 483 H ASP 69 H ASP 69 -0.266 -19.120 -2.702 484 HA ASP 69 HA ASP 69 -1.148 -19.653 -5.458 485 HB2 ASP 69 1HB ASP 69 1.358 -19.307 -5.950 486 HB3 ASP 69 2HB ASP 69 0.397 -17.888 -5.542 487 HA PRO 70 HA PRO 70 0.037 -23.799 -3.815 488 HB2 PRO 70 1HB PRO 70 -1.919 -25.126 -5.150 489 HB3 PRO 70 2HB PRO 70 -2.176 -24.366 -3.575 490 HG2 PRO 70 1HG PRO 70 -2.869 -23.349 -6.304 491 HG3 PRO 70 2HG PRO 70 -3.829 -23.299 -4.814 492 HD2 PRO 70 1HD PRO 70 -2.446 -21.158 -5.728 493 HD3 PRO 70 2HD PRO 70 -2.699 -21.464 -3.998 494 H SER 71 H SER 71 -0.324 -22.380 -6.934 495 HA SER 71 HA SER 71 0.443 -24.536 -8.568 496 HB2 SER 71 1HB SER 71 0.907 -22.873 -10.269 497 HB3 SER 71 2HB SER 71 -0.547 -22.397 -9.393 498 HG SER 71 HG SER 71 0.853 -20.630 -9.649 499 H GLY 72 H GLY 72 2.136 -25.585 -7.414 500 HA2 GLY 72 1HA GLY 72 4.734 -24.833 -8.269 501 HA3 GLY 72 2HA GLY 72 4.524 -24.443 -6.569 502 H LYS 73 H LYS 73 5.274 -26.861 -8.815 503 HA LYS 73 HA LYS 73 4.701 -29.077 -7.031 504 HB2 LYS 73 1HB LYS 73 6.048 -30.291 -8.951 505 HB3 LYS 73 2HB LYS 73 4.375 -29.802 -9.184 506 HG2 LYS 73 1HG LYS 73 5.020 -27.895 -10.445 507 HG3 LYS 73 2HG LYS 73 6.719 -28.114 -10.020 508 HD2 LYS 73 1HD LYS 73 5.123 -30.140 -11.577 509 HD3 LYS 73 2HD LYS 73 6.078 -28.864 -12.336 510 HE2 LYS 73 1HE LYS 73 7.630 -30.532 -12.332 511 HE3 LYS 73 2HE LYS 73 7.959 -29.835 -10.746 512 HZ1 LYS 73 3HZ LYS 73 5.908 -31.846 -10.701 513 HZ2 LYS 73 1HZ LYS 73 7.282 -31.681 -9.727 514 HZ3 LYS 73 2HZ LYS 73 7.400 -32.440 -11.233 515 H GLU 74 H GLU 74 6.009 -28.956 -5.263 516 HA GLU 74 HA GLU 74 8.697 -28.169 -5.245 517 HB2 GLU 74 1HB GLU 74 7.370 -28.252 -3.209 518 HB3 GLU 74 2HB GLU 74 7.210 -29.997 -3.353 519 HG2 GLU 74 1HG GLU 74 9.854 -29.868 -3.321 520 HG3 GLU 74 2HG GLU 74 9.516 -28.368 -2.459 521 H SER 75 H SER 75 10.560 -29.184 -5.684 522 HA SER 75 HA SER 75 10.581 -31.583 -7.154 523 HB2 SER 75 1HB SER 75 12.893 -31.296 -7.331 524 HB3 SER 75 2HB SER 75 12.323 -29.647 -7.069 525 HG SER 75 HG SER 75 13.053 -29.704 -5.017 526 H GLY 76 H GLY 76 11.175 -33.669 -6.631 527 HA2 GLY 76 1HA GLY 76 11.139 -34.273 -3.744 528 HA3 GLY 76 2HA GLY 76 10.584 -35.364 -5.005 529 HA PRO 77 HA PRO 77 15.258 -35.795 -3.901 530 HB2 PRO 77 1HB PRO 77 15.165 -37.529 -1.814 531 HB3 PRO 77 2HB PRO 77 15.197 -35.774 -1.605 532 HG2 PRO 77 1HG PRO 77 12.866 -37.649 -1.519 533 HG3 PRO 77 2HG PRO 77 13.243 -36.284 -0.452 534 HD2 PRO 77 1HD PRO 77 11.435 -36.108 -2.459 535 HD3 PRO 77 2HD PRO 77 12.428 -34.729 -1.945 536 H SER 78 H SER 78 16.494 -37.672 -4.380 537 HA SER 78 HA SER 78 15.008 -40.099 -5.060 538 HB2 SER 78 1HB SER 78 15.074 -38.808 -7.136 539 HB3 SER 78 2HB SER 78 16.822 -38.628 -6.989 540 HG SER 78 HG SER 78 17.037 -40.519 -7.858 541 H SER 79 H SER 79 16.135 -41.959 -4.762 542 HA SER 79 HA SER 79 18.648 -41.756 -3.359 543 HB2 SER 79 1HB SER 79 18.392 -44.102 -2.902 544 HB3 SER 79 2HB SER 79 16.809 -43.349 -2.710 545 HG SER 79 HG SER 79 16.661 -44.006 -5.102 546 H GLY 80 H GLY 80 20.558 -42.964 -3.938 547 HA2 GLY 80 1HA GLY 80 21.331 -42.570 -6.628 548 HA3 GLY 80 2HA GLY 80 22.250 -43.447 -5.414 Start of MODEL 14 1 H1 GLY 1 H GLY 1 7.478 -17.792 22.845 2 HA2 GLY 1 1HA GLY 1 7.663 -19.112 20.216 3 HA3 GLY 1 2HA GLY 1 6.148 -18.387 20.734 4 H SER 2 H SER 2 5.859 -16.208 20.567 5 HA SER 2 HA SER 2 8.139 -14.640 19.559 6 HB2 SER 2 1HB SER 2 6.812 -13.616 17.895 7 HB3 SER 2 2HB SER 2 6.392 -15.327 17.803 8 HG SER 2 HG SER 2 4.693 -13.467 17.994 9 H SER 3 H SER 3 7.514 -12.198 19.606 10 HA SER 3 HA SER 3 5.681 -11.274 21.547 11 HB2 SER 3 1HB SER 3 7.590 -12.446 22.905 12 HB3 SER 3 2HB SER 3 8.500 -10.982 22.533 13 HG SER 3 HG SER 3 6.038 -11.182 23.924 14 H GLY 4 H GLY 4 5.754 -8.970 21.826 15 HA2 GLY 4 1HA GLY 4 7.106 -6.918 21.319 16 HA3 GLY 4 2HA GLY 4 7.372 -7.641 19.740 17 H SER 5 H SER 5 6.426 -5.234 19.555 18 HA SER 5 HA SER 5 3.501 -5.443 19.314 19 HB2 SER 5 1HB SER 5 4.712 -3.551 20.666 20 HB3 SER 5 2HB SER 5 4.985 -2.847 19.073 21 HG SER 5 HG SER 5 2.629 -3.154 20.506 22 H SER 6 H SER 6 2.674 -3.919 17.471 23 HA SER 6 HA SER 6 4.009 -4.826 15.032 24 HB2 SER 6 1HB SER 6 1.876 -4.125 13.919 25 HB3 SER 6 2HB SER 6 1.658 -5.364 15.155 26 HG SER 6 HG SER 6 0.824 -3.856 16.525 27 H GLY 7 H GLY 7 4.691 -3.454 13.414 28 HA2 GLY 7 1HA GLY 7 4.490 -0.563 13.937 29 HA3 GLY 7 2HA GLY 7 6.062 -1.289 13.637 30 H ALA 8 H ALA 8 6.632 -1.899 11.561 31 HA ALA 8 HA ALA 8 5.521 -0.417 9.452 32 HB1 ALA 8 3HB ALA 8 7.488 -2.668 9.587 33 HB2 ALA 8 1HB ALA 8 6.921 -2.065 8.030 34 HB3 ALA 8 2HB ALA 8 7.748 -0.980 9.148 35 H THR 9 H THR 9 5.154 -1.867 7.271 36 HA THR 9 HA THR 9 3.432 -4.129 7.682 37 HB THR 9 HB THR 9 2.220 -1.506 6.797 38 HG1 THR 9 1HG THR 9 1.958 -3.180 9.055 39 HG21 THR 9 3HG2 THR 9 1.561 -4.169 5.999 40 HG22 THR 9 1HG2 THR 9 0.759 -2.657 5.572 41 HG23 THR 9 2HG2 THR 9 0.266 -3.539 7.018 42 H SER 10 H SER 10 3.470 -5.402 5.931 43 HA SER 10 HA SER 10 4.787 -4.383 3.533 44 HB2 SER 10 1HB SER 10 4.373 -7.073 4.739 45 HB3 SER 10 2HB SER 10 4.509 -6.987 2.983 46 HG SER 10 HG SER 10 6.447 -5.547 3.661 47 H TYR 11 H TYR 11 3.895 -4.464 1.488 48 HA TYR 11 HA TYR 11 1.017 -5.085 1.361 49 HB2 TYR 11 1HB TYR 11 2.493 -2.831 -0.015 50 HB3 TYR 11 2HB TYR 11 0.806 -3.247 -0.298 51 HD1 TYR 11 2HD TYR 11 2.977 -2.667 2.699 52 HD2 TYR 11 1HD TYR 11 -0.689 -1.823 0.711 53 HE1 TYR 11 2HE TYR 11 2.310 -1.206 4.561 54 HE2 TYR 11 1HE TYR 11 -1.365 -0.358 2.567 55 HH TYR 11 HH TYR 11 -0.144 -0.409 5.488 56 H MET 12 H MET 12 0.301 -5.304 -1.019 57 HA MET 12 HA MET 12 2.316 -6.913 -2.446 58 HB2 MET 12 1HB MET 12 0.576 -8.354 -1.612 59 HB3 MET 12 2HB MET 12 -0.674 -7.296 -2.253 60 HG2 MET 12 1HG MET 12 -0.662 -8.939 -3.831 61 HG3 MET 12 2HG MET 12 0.488 -7.807 -4.537 62 HE1 MET 12 3HE MET 12 2.374 -10.793 -5.736 63 HE2 MET 12 1HE MET 12 1.058 -9.666 -6.066 64 HE3 MET 12 2HE MET 12 2.676 -9.055 -5.718 65 H THR 13 H THR 13 2.893 -6.177 -4.375 66 HA THR 13 HA THR 13 1.611 -3.894 -5.534 67 HB THR 13 HB THR 13 3.309 -3.968 -7.230 68 HG1 THR 13 1HG THR 13 4.388 -5.764 -7.735 69 HG21 THR 13 3HG2 THR 13 4.475 -4.835 -4.582 70 HG22 THR 13 1HG2 THR 13 4.043 -3.186 -5.033 71 HG23 THR 13 2HG2 THR 13 5.353 -4.015 -5.873 72 H CYS 14 H CYS 14 -0.206 -4.008 -6.668 73 HA CYS 14 HA CYS 14 -0.886 -6.471 -8.081 74 HB2 CYS 14 1HB CYS 14 -3.117 -5.705 -8.125 75 HB3 CYS 14 2HB CYS 14 -2.509 -5.231 -6.543 76 HG CYS 14 HG CYS 14 -2.333 -2.579 -7.026 77 H SER 15 H SER 15 0.490 -3.456 -8.703 78 HA SER 15 HA SER 15 0.171 -3.878 -11.586 79 HB2 SER 15 1HB SER 15 -0.099 -1.398 -11.885 80 HB3 SER 15 2HB SER 15 -1.468 -2.182 -11.097 81 HG SER 15 HG SER 15 -1.161 -0.786 -9.567 82 H ALA 16 H ALA 16 1.772 -2.631 -12.862 83 HA ALA 16 HA ALA 16 4.359 -2.741 -11.538 84 HB1 ALA 16 3HB ALA 16 3.397 -2.854 -14.318 85 HB2 ALA 16 1HB ALA 16 4.953 -2.059 -14.079 86 HB3 ALA 16 2HB ALA 16 4.718 -3.720 -13.534 87 H TYR 17 H TYR 17 5.099 -0.989 -10.546 88 HA TYR 17 HA TYR 17 4.197 1.655 -11.362 89 HB2 TYR 17 1HB TYR 17 4.157 1.360 -9.018 90 HB3 TYR 17 2HB TYR 17 5.755 0.623 -8.999 91 HD1 TYR 17 1HD TYR 17 3.903 3.785 -9.215 92 HD2 TYR 17 2HD TYR 17 7.752 1.981 -9.031 93 HE1 TYR 17 1HE TYR 17 4.900 5.978 -8.721 94 HE2 TYR 17 2HE TYR 17 8.760 4.169 -8.535 95 HH TYR 17 HH TYR 17 7.862 6.407 -7.454 96 H GLN 18 H GLN 18 5.659 3.387 -11.799 97 HA GLN 18 HA GLN 18 8.289 2.503 -12.787 98 HB2 GLN 18 1HB GLN 18 6.480 3.095 -14.529 99 HB3 GLN 18 2HB GLN 18 6.737 4.761 -14.026 100 HG2 GLN 18 1HG GLN 18 8.966 2.985 -14.973 101 HG3 GLN 18 2HG GLN 18 8.009 3.990 -16.060 102 HE21 GLN 18 1HE2 GLN 18 10.864 4.075 -15.390 103 HE22 GLN 18 2HE2 GLN 18 11.165 5.678 -14.819 104 H LYS 19 H LYS 19 9.942 3.467 -11.829 105 HA LYS 19 HA LYS 19 9.568 5.614 -9.988 106 HB2 LYS 19 1HB LYS 19 12.031 5.513 -9.735 107 HB3 LYS 19 2HB LYS 19 11.262 3.942 -9.557 108 HG2 LYS 19 1HG LYS 19 12.989 3.350 -10.899 109 HG3 LYS 19 2HG LYS 19 11.814 3.789 -12.141 110 HD2 LYS 19 1HD LYS 19 13.605 4.989 -12.887 111 HD3 LYS 19 2HD LYS 19 12.899 6.183 -11.796 112 HE2 LYS 19 1HE LYS 19 14.478 5.724 -10.110 113 HE3 LYS 19 2HE LYS 19 14.996 4.230 -10.890 114 HZ1 LYS 19 3HZ LYS 19 16.125 5.410 -12.545 115 HZ2 LYS 19 1HZ LYS 19 16.512 6.224 -11.113 116 HZ3 LYS 19 2HZ LYS 19 15.361 6.872 -12.169 117 H VAL 20 H VAL 20 9.852 7.751 -10.242 118 HA VAL 20 HA VAL 20 10.349 8.744 -12.930 119 HB VAL 20 HB VAL 20 8.462 9.695 -11.744 120 HG11 VAL 20 1HG1 VAL 20 8.787 11.065 -9.725 121 HG12 VAL 20 2HG1 VAL 20 9.215 9.373 -9.461 122 HG13 VAL 20 3HG1 VAL 20 10.482 10.580 -9.686 123 HG21 VAL 20 3HG2 VAL 20 9.922 12.125 -11.544 124 HG22 VAL 20 1HG2 VAL 20 10.589 11.187 -12.880 125 HG23 VAL 20 2HG2 VAL 20 8.870 11.578 -12.849 126 H GLN 21 H GLN 21 11.710 9.061 -9.674 127 HA GLN 21 HA GLN 21 14.114 10.260 -10.884 128 HB2 GLN 21 1HB GLN 21 12.998 10.650 -8.103 129 HB3 GLN 21 2HB GLN 21 14.530 11.301 -8.668 130 HG2 GLN 21 1HG GLN 21 11.924 11.936 -10.011 131 HG3 GLN 21 2HG GLN 21 12.544 12.870 -8.651 132 HE21 GLN 21 1HE2 GLN 21 14.604 13.919 -8.907 133 HE22 GLN 21 2HE2 GLN 21 15.122 14.421 -10.476 134 H ASP 22 H ASP 22 16.112 9.882 -9.472 135 HA ASP 22 HA ASP 22 16.664 7.144 -9.384 136 HB2 ASP 22 1HB ASP 22 18.150 9.253 -7.815 137 HB3 ASP 22 2HB ASP 22 18.781 7.733 -8.444 138 H SER 23 H SER 23 15.504 9.342 -6.917 139 HA SER 23 HA SER 23 15.991 7.793 -4.643 140 HB2 SER 23 1HB SER 23 14.069 9.075 -3.642 141 HB3 SER 23 2HB SER 23 15.305 10.083 -4.394 142 HG SER 23 HG SER 23 13.481 10.876 -5.230 143 H GLU 24 H GLU 24 13.126 7.905 -6.746 144 HA GLU 24 HA GLU 24 11.768 5.830 -5.319 145 HB2 GLU 24 1HB GLU 24 11.262 7.025 -8.048 146 HB3 GLU 24 2HB GLU 24 10.190 5.887 -7.246 147 HG2 GLU 24 1HG GLU 24 9.182 7.849 -6.694 148 HG3 GLU 24 2HG GLU 24 10.267 7.663 -5.317 149 H ILE 25 H ILE 25 11.000 3.833 -6.500 150 HA ILE 25 HA ILE 25 12.990 2.761 -8.359 151 HB ILE 25 HB ILE 25 13.932 1.829 -6.473 152 HG12 ILE 25 1HG1 ILE 25 12.923 0.114 -8.160 153 HG13 ILE 25 2HG1 ILE 25 13.574 -0.465 -6.631 154 HG21 ILE 25 1HG2 ILE 25 11.210 2.068 -5.362 155 HG22 ILE 25 2HG2 ILE 25 12.191 0.741 -4.740 156 HG23 ILE 25 3HG2 ILE 25 12.775 2.401 -4.620 157 HD11 ILE 25 3HD1 ILE 25 11.079 -1.003 -7.671 158 HD12 ILE 25 1HD1 ILE 25 11.610 -1.286 -6.013 159 HD13 ILE 25 2HD1 ILE 25 10.768 0.208 -6.427 160 H SER 26 H SER 26 12.185 1.347 -9.837 161 HA SER 26 HA SER 26 9.288 1.049 -9.895 162 HB2 SER 26 1HB SER 26 9.472 0.723 -12.185 163 HB3 SER 26 2HB SER 26 10.858 1.768 -11.875 164 HG SER 26 HG SER 26 11.564 0.054 -13.102 165 H PHE 27 H PHE 27 8.220 -0.818 -9.610 166 HA PHE 27 HA PHE 27 9.793 -3.297 -9.402 167 HB2 PHE 27 1HB PHE 27 8.061 -3.941 -7.598 168 HB3 PHE 27 2HB PHE 27 9.345 -2.822 -7.151 169 HD1 PHE 27 1HD PHE 27 5.799 -2.977 -8.223 170 HD2 PHE 27 2HD PHE 27 8.843 -0.715 -6.290 171 HE1 PHE 27 1HE PHE 27 4.112 -1.347 -7.481 172 HE2 PHE 27 2HE PHE 27 7.161 0.918 -5.545 173 HZ PHE 27 HZ PHE 27 4.792 0.603 -6.139 174 HA PRO 28 HA PRO 28 6.875 -5.000 -12.218 175 HB2 PRO 28 1HB PRO 28 7.154 -7.632 -11.611 176 HB3 PRO 28 2HB PRO 28 8.375 -6.717 -12.504 177 HG2 PRO 28 1HG PRO 28 8.298 -7.443 -9.600 178 HG3 PRO 28 2HG PRO 28 9.664 -7.492 -10.730 179 HD2 PRO 28 1HD PRO 28 9.312 -5.476 -8.956 180 HD3 PRO 28 2HD PRO 28 10.058 -5.228 -10.548 181 H ALA 29 H ALA 29 4.943 -6.425 -12.291 182 HA ALA 29 HA ALA 29 3.288 -5.949 -9.951 183 HB1 ALA 29 3HB ALA 29 2.845 -6.224 -12.778 184 HB2 ALA 29 1HB ALA 29 1.778 -7.303 -11.878 185 HB3 ALA 29 2HB ALA 29 1.778 -5.572 -11.534 186 H GLY 30 H GLY 30 3.701 -7.418 -8.376 187 HA2 GLY 30 1HA GLY 30 2.629 -9.688 -7.860 188 HA3 GLY 30 2HA GLY 30 3.700 -10.268 -9.127 189 H VAL 31 H VAL 31 4.578 -7.789 -6.805 190 HA VAL 31 HA VAL 31 6.306 -9.721 -5.416 191 HB VAL 31 HB VAL 31 8.071 -7.938 -5.301 192 HG11 VAL 31 1HG1 VAL 31 8.148 -9.871 -6.862 193 HG12 VAL 31 2HG1 VAL 31 7.410 -8.850 -8.098 194 HG13 VAL 31 3HG1 VAL 31 9.003 -8.447 -7.455 195 HG21 VAL 31 3HG2 VAL 31 7.170 -5.907 -5.820 196 HG22 VAL 31 1HG2 VAL 31 7.801 -6.350 -7.407 197 HG23 VAL 31 2HG2 VAL 31 6.089 -6.574 -7.044 198 H GLU 32 H GLU 32 6.810 -9.218 -3.256 199 HA GLU 32 HA GLU 32 4.848 -7.472 -1.988 200 HB2 GLU 32 1HB GLU 32 4.925 -9.607 -0.984 201 HB3 GLU 32 2HB GLU 32 6.683 -9.627 -0.967 202 HG2 GLU 32 1HG GLU 32 5.196 -7.576 0.611 203 HG3 GLU 32 2HG GLU 32 5.377 -9.217 1.229 204 H VAL 33 H VAL 33 5.369 -5.789 -0.603 205 HA VAL 33 HA VAL 33 8.196 -4.997 -0.467 206 HB VAL 33 HB VAL 33 7.569 -2.644 -0.871 207 HG11 VAL 33 1HG1 VAL 33 8.447 -3.486 -2.797 208 HG12 VAL 33 2HG1 VAL 33 7.237 -4.763 -2.923 209 HG13 VAL 33 3HG1 VAL 33 6.824 -3.108 -3.372 210 HG21 VAL 33 3HG2 VAL 33 5.414 -2.019 -1.673 211 HG22 VAL 33 1HG2 VAL 33 4.896 -3.703 -1.767 212 HG23 VAL 33 2HG2 VAL 33 5.169 -2.951 -0.196 213 H GLN 34 H GLN 34 8.356 -2.982 1.059 214 HA GLN 34 HA GLN 34 6.572 -3.396 3.363 215 HB2 GLN 34 1HB GLN 34 8.867 -4.447 3.612 216 HB3 GLN 34 2HB GLN 34 9.522 -2.815 3.596 217 HG2 GLN 34 1HG GLN 34 9.351 -3.145 5.836 218 HG3 GLN 34 2HG GLN 34 7.765 -2.446 5.515 219 HE21 GLN 34 1HE2 GLN 34 9.460 -5.532 5.801 220 HE22 GLN 34 2HE2 GLN 34 8.118 -6.413 6.439 221 H VAL 35 H VAL 35 5.484 -1.599 3.771 222 HA VAL 35 HA VAL 35 6.312 0.949 2.747 223 HB VAL 35 HB VAL 35 3.985 0.056 4.428 224 HG11 VAL 35 1HG1 VAL 35 5.020 2.797 4.004 225 HG12 VAL 35 2HG1 VAL 35 3.277 2.563 3.858 226 HG13 VAL 35 3HG1 VAL 35 4.105 2.125 5.353 227 HG21 VAL 35 3HG2 VAL 35 3.790 -0.457 2.096 228 HG22 VAL 35 1HG2 VAL 35 2.723 0.903 2.447 229 HG23 VAL 35 2HG2 VAL 35 4.269 1.178 1.644 230 H LEU 36 H LEU 36 8.078 1.807 3.699 231 HA LEU 36 HA LEU 36 8.672 1.574 6.466 232 HB2 LEU 36 1HB LEU 36 9.729 3.496 4.398 233 HB3 LEU 36 2HB LEU 36 10.412 3.258 6.005 234 HG LEU 36 HG LEU 36 10.301 1.178 3.822 235 HD11 LEU 36 1HD1 LEU 36 11.873 2.881 3.225 236 HD12 LEU 36 2HD1 LEU 36 12.770 1.482 3.815 237 HD13 LEU 36 3HD1 LEU 36 12.554 2.892 4.851 238 HD21 LEU 36 3HD2 LEU 36 12.174 0.495 5.776 239 HD22 LEU 36 1HD2 LEU 36 10.624 -0.286 5.461 240 HD23 LEU 36 2HD2 LEU 36 10.735 1.000 6.663 241 H GLU 37 H GLU 37 7.878 4.495 4.571 242 HA GLU 37 HA GLU 37 6.475 5.530 6.944 243 HB2 GLU 37 1HB GLU 37 8.792 6.567 6.278 244 HB3 GLU 37 2HB GLU 37 7.851 7.381 5.035 245 HG2 GLU 37 1HG GLU 37 7.759 8.941 6.683 246 HG3 GLU 37 2HG GLU 37 6.315 8.009 7.071 247 H LYS 38 H LYS 38 4.704 6.931 6.541 248 HA LYS 38 HA LYS 38 3.626 6.742 3.804 249 HB2 LYS 38 1HB LYS 38 2.274 6.398 6.466 250 HB3 LYS 38 2HB LYS 38 1.354 6.875 5.045 251 HG2 LYS 38 1HG LYS 38 2.119 4.842 3.892 252 HG3 LYS 38 2HG LYS 38 2.977 4.358 5.357 253 HD2 LYS 38 1HD LYS 38 0.964 4.090 6.564 254 HD3 LYS 38 2HD LYS 38 0.025 4.937 5.332 255 HE2 LYS 38 1HE LYS 38 0.900 2.995 3.794 256 HE3 LYS 38 2HE LYS 38 1.102 2.156 5.331 257 HZ1 LYS 38 3HZ LYS 38 -1.453 3.487 4.861 258 HZ2 LYS 38 1HZ LYS 38 -1.120 2.036 5.665 259 HZ3 LYS 38 2HZ LYS 38 -1.145 2.079 3.975 260 H GLN 39 H GLN 39 3.050 8.595 2.852 261 HA GLN 39 HA GLN 39 3.157 11.046 4.463 262 HB2 GLN 39 1HB GLN 39 3.503 10.551 1.509 263 HB3 GLN 39 2HB GLN 39 3.344 12.164 2.190 264 HG2 GLN 39 1HG GLN 39 5.335 11.750 3.573 265 HG3 GLN 39 2HG GLN 39 5.507 10.167 2.816 266 HE21 GLN 39 1HE2 GLN 39 6.075 13.521 2.546 267 HE22 GLN 39 2HE2 GLN 39 6.847 13.501 1.001 268 H GLU 40 H GLU 40 1.394 12.248 4.793 269 HA GLU 40 HA GLU 40 -1.167 11.418 4.443 270 HB2 GLU 40 1HB GLU 40 -0.278 13.472 5.706 271 HB3 GLU 40 2HB GLU 40 -0.466 14.333 4.185 272 HG2 GLU 40 1HG GLU 40 -2.401 14.744 5.490 273 HG3 GLU 40 2HG GLU 40 -2.864 13.658 4.181 274 H SER 41 H SER 41 0.817 13.148 2.111 275 HA SER 41 HA SER 41 -1.021 13.940 0.241 276 HB2 SER 41 1HB SER 41 1.735 12.771 -0.182 277 HB3 SER 41 2HB SER 41 0.792 13.526 -1.466 278 HG SER 41 HG SER 41 1.502 15.357 -0.753 279 H GLY 42 H GLY 42 0.623 10.770 0.288 280 HA2 GLY 42 1HA GLY 42 -1.381 9.041 -0.058 281 HA3 GLY 42 2HA GLY 42 -1.270 9.739 -1.667 282 H TRP 43 H TRP 43 1.683 10.072 -1.339 283 HA TRP 43 HA TRP 43 2.396 7.447 -2.311 284 HB2 TRP 43 1HB TRP 43 4.011 9.984 -1.988 285 HB3 TRP 43 2HB TRP 43 4.631 8.498 -2.703 286 HD1 TRP 43 HD TRP 43 1.577 10.828 -3.337 287 HE1 TRP 43 1HE TRP 43 1.282 11.055 -5.883 288 HE3 TRP 43 3HE TRP 43 5.379 7.773 -4.870 289 HZ2 TRP 43 2HZ TRP 43 2.499 10.069 -8.232 290 HZ3 TRP 43 3HZ TRP 43 5.746 7.468 -7.284 291 HH2 TRP 43 HH TRP 43 4.335 8.593 -8.928 292 H TRP 44 H TRP 44 3.475 5.900 -1.246 293 HA TRP 44 HA TRP 44 4.479 6.547 1.448 294 HB2 TRP 44 1HB TRP 44 3.468 3.854 0.520 295 HB3 TRP 44 2HB TRP 44 3.875 4.333 2.165 296 HD1 TRP 44 HD TRP 44 2.222 7.228 1.736 297 HE1 TRP 44 1HE TRP 44 -0.333 7.124 2.030 298 HE3 TRP 44 3HE TRP 44 1.538 2.201 1.108 299 HZ2 TRP 44 2HZ TRP 44 -2.369 5.168 2.000 300 HZ3 TRP 44 3HZ TRP 44 -0.744 1.293 1.256 301 HH2 TRP 44 HH TRP 44 -2.655 2.748 1.694 302 H TYR 45 H TYR 45 6.495 5.879 2.023 303 HA TYR 45 HA TYR 45 8.305 5.199 -0.089 304 HB2 TYR 45 1HB TYR 45 8.767 6.665 1.976 305 HB3 TYR 45 2HB TYR 45 8.977 5.150 2.846 306 HD1 TYR 45 1HD TYR 45 10.054 6.324 -0.539 307 HD2 TYR 45 2HD TYR 45 11.215 4.770 3.249 308 HE1 TYR 45 1HE TYR 45 12.389 6.213 -1.306 309 HE2 TYR 45 2HE TYR 45 13.552 4.656 2.492 310 HH TYR 45 HH TYR 45 14.439 5.180 -0.821 311 H VAL 46 H VAL 46 8.259 3.194 -0.890 312 HA VAL 46 HA VAL 46 7.924 0.920 0.926 313 HB VAL 46 HB VAL 46 7.897 -0.345 -1.353 314 HG11 VAL 46 1HG1 VAL 46 5.689 1.448 -0.367 315 HG12 VAL 46 2HG1 VAL 46 5.459 0.216 -1.609 316 HG13 VAL 46 3HG1 VAL 46 5.957 -0.252 0.018 317 HG21 VAL 46 3HG2 VAL 46 7.289 0.897 -3.268 318 HG22 VAL 46 1HG2 VAL 46 7.047 2.370 -2.329 319 HG23 VAL 46 2HG2 VAL 46 8.675 1.738 -2.574 320 H ARG 47 H ARG 47 9.237 -1.078 0.268 321 HA ARG 47 HA ARG 47 11.970 -0.342 -0.517 322 HB2 ARG 47 1HB ARG 47 11.956 -0.391 1.913 323 HB3 ARG 47 2HB ARG 47 11.203 -1.980 1.904 324 HG2 ARG 47 1HG ARG 47 13.192 -2.941 0.894 325 HG3 ARG 47 2HG ARG 47 13.946 -1.346 0.837 326 HD2 ARG 47 1HD ARG 47 13.587 -1.283 3.365 327 HD3 ARG 47 2HD ARG 47 13.261 -3.011 3.241 328 HE ARG 47 HE ARG 47 15.727 -2.253 2.001 329 HH11 ARG 47 1HH1 ARG 47 14.207 -3.054 5.029 330 HH12 ARG 47 2HH1 ARG 47 15.677 -3.590 5.774 331 HH21 ARG 47 1HH2 ARG 47 17.668 -2.956 2.971 332 HH22 ARG 47 2HH2 ARG 47 17.645 -3.533 4.603 333 H PHE 48 H PHE 48 12.633 -1.580 -2.132 334 HA PHE 48 HA PHE 48 11.532 -4.305 -2.361 335 HB2 PHE 48 1HB PHE 48 10.726 -2.772 -4.136 336 HB3 PHE 48 2HB PHE 48 12.395 -2.483 -4.617 337 HD1 PHE 48 2HD PHE 48 10.586 -5.615 -3.721 338 HD2 PHE 48 1HD PHE 48 12.707 -3.426 -6.691 339 HE1 PHE 48 2HE PHE 48 10.485 -7.561 -5.222 340 HE2 PHE 48 1HE PHE 48 12.609 -5.368 -8.198 341 HZ PHE 48 HZ PHE 48 11.498 -7.440 -7.464 342 H GLY 49 H GLY 49 13.211 -5.333 -1.291 343 HA2 GLY 49 1HA GLY 49 15.194 -6.505 -1.248 344 HA3 GLY 49 2HA GLY 49 15.515 -5.915 -2.872 345 H GLU 50 H GLU 50 17.410 -4.921 -2.941 346 HA GLU 50 HA GLU 50 18.430 -3.561 -0.578 347 HB2 GLU 50 1HB GLU 50 19.717 -5.140 -2.273 348 HB3 GLU 50 2HB GLU 50 19.931 -3.635 -3.155 349 HG2 GLU 50 1HG GLU 50 21.790 -4.277 -1.591 350 HG3 GLU 50 2HG GLU 50 21.139 -2.652 -1.393 351 H LEU 51 H LEU 51 16.178 -2.425 -2.032 352 HA LEU 51 HA LEU 51 17.284 0.235 -2.435 353 HB2 LEU 51 1HB LEU 51 15.524 -1.064 -4.508 354 HB3 LEU 51 2HB LEU 51 16.158 0.580 -4.550 355 HG LEU 51 HG LEU 51 17.929 -1.853 -4.604 356 HD11 LEU 51 1HD1 LEU 51 16.255 -1.719 -6.517 357 HD12 LEU 51 2HD1 LEU 51 17.963 -1.806 -6.947 358 HD13 LEU 51 3HD1 LEU 51 17.114 -0.261 -7.015 359 HD21 LEU 51 3HD2 LEU 51 18.893 0.496 -5.942 360 HD22 LEU 51 1HD2 LEU 51 19.602 -0.395 -4.595 361 HD23 LEU 51 2HD2 LEU 51 18.430 0.887 -4.285 362 H GLU 52 H GLU 52 15.674 1.916 -2.361 363 HA GLU 52 HA GLU 52 13.012 1.109 -1.463 364 HB2 GLU 52 1HB GLU 52 14.788 2.996 0.095 365 HB3 GLU 52 2HB GLU 52 13.110 2.624 0.468 366 HG2 GLU 52 1HG GLU 52 13.602 0.570 1.312 367 HG3 GLU 52 2HG GLU 52 15.017 0.362 0.282 368 H GLY 53 H GLY 53 11.488 2.301 -2.406 369 HA2 GLY 53 1HA GLY 53 12.150 5.051 -3.225 370 HA3 GLY 53 2HA GLY 53 11.466 3.933 -4.397 371 H TRP 54 H TRP 54 10.127 6.206 -4.037 372 HA TRP 54 HA TRP 54 8.002 5.701 -2.090 373 HB2 TRP 54 1HB TRP 54 8.663 8.116 -3.783 374 HB3 TRP 54 2HB TRP 54 7.235 8.007 -2.758 375 HD1 TRP 54 HD TRP 54 11.022 8.438 -2.583 376 HE1 TRP 54 1HE TRP 54 11.662 9.179 -0.203 377 HE3 TRP 54 3HE TRP 54 6.483 7.857 -0.304 378 HZ2 TRP 54 2HZ TRP 54 10.409 9.477 2.309 379 HZ3 TRP 54 3HZ TRP 54 6.288 8.391 2.090 380 HH2 TRP 54 HH TRP 54 8.212 9.183 3.368 381 H ALA 55 H ALA 55 6.312 4.557 -2.742 382 HA ALA 55 HA ALA 55 5.413 4.845 -5.536 383 HB1 ALA 55 3HB ALA 55 4.846 2.386 -3.933 384 HB2 ALA 55 1HB ALA 55 4.924 2.591 -5.683 385 HB3 ALA 55 2HB ALA 55 6.407 2.588 -4.728 386 HA PRO 56 HA PRO 56 1.526 6.218 -4.009 387 HB2 PRO 56 1HB PRO 56 -0.090 5.414 -6.037 388 HB3 PRO 56 2HB PRO 56 1.027 6.776 -6.181 389 HG2 PRO 56 1HG PRO 56 1.352 3.952 -7.120 390 HG3 PRO 56 2HG PRO 56 1.758 5.463 -7.956 391 HD2 PRO 56 1HD PRO 56 3.619 3.946 -6.703 392 HD3 PRO 56 2HD PRO 56 3.739 5.714 -6.805 393 H SER 57 H SER 57 -0.208 5.490 -2.847 394 HA SER 57 HA SER 57 -0.219 2.787 -2.003 395 HB2 SER 57 1HB SER 57 -2.210 3.418 -0.696 396 HB3 SER 57 2HB SER 57 -0.927 4.616 -0.528 397 HG SER 57 HG SER 57 -2.108 6.046 -1.564 398 H HIS 58 H HIS 58 -1.766 4.438 -4.583 399 HA HIS 58 HA HIS 58 -4.062 2.872 -4.937 400 HB2 HIS 58 1HB HIS 58 -2.466 4.031 -7.214 401 HB3 HIS 58 2HB HIS 58 -4.209 3.804 -7.107 402 HD1 HIS 58 1HD HIS 58 -1.782 6.378 -6.938 403 HD2 HIS 58 2HD HIS 58 -5.272 5.542 -4.846 404 HE1 HIS 58 1HE HIS 58 -2.470 8.555 -5.883 405 HE2 HIS 58 2HE HIS 58 -4.537 8.005 -4.553 406 H TYR 59 H TYR 59 -0.761 2.455 -6.151 407 HA TYR 59 HA TYR 59 -1.346 0.131 -7.686 408 HB2 TYR 59 1HB TYR 59 1.224 1.337 -6.670 409 HB3 TYR 59 2HB TYR 59 1.193 -0.156 -7.603 410 HD1 TYR 59 1HD TYR 59 -0.380 3.234 -7.850 411 HD2 TYR 59 2HD TYR 59 1.712 0.101 -9.827 412 HE1 TYR 59 1HE TYR 59 -0.397 4.544 -9.932 413 HE2 TYR 59 2HE TYR 59 1.702 1.402 -11.914 414 HH TYR 59 HH TYR 59 1.010 3.252 -12.927 415 H LEU 60 H LEU 60 -0.349 0.702 -4.378 416 HA LEU 60 HA LEU 60 0.153 -2.096 -3.853 417 HB2 LEU 60 1HB LEU 60 -0.036 0.246 -1.964 418 HB3 LEU 60 2HB LEU 60 0.529 -1.370 -1.546 419 HG LEU 60 HG LEU 60 1.895 0.436 -3.538 420 HD11 LEU 60 1HD1 LEU 60 3.495 0.122 -1.276 421 HD12 LEU 60 2HD1 LEU 60 1.888 0.505 -0.661 422 HD13 LEU 60 3HD1 LEU 60 2.673 1.588 -1.810 423 HD21 LEU 60 3HD2 LEU 60 2.283 -1.977 -3.828 424 HD22 LEU 60 1HD2 LEU 60 2.828 -2.076 -2.153 425 HD23 LEU 60 2HD2 LEU 60 3.740 -1.120 -3.322 426 H VAL 61 H VAL 61 -1.158 -3.512 -2.793 427 HA VAL 61 HA VAL 61 -3.948 -2.677 -2.452 428 HB VAL 61 HB VAL 61 -3.462 -4.642 -3.900 429 HG11 VAL 61 1HG1 VAL 61 -3.037 -6.463 -1.657 430 HG12 VAL 61 2HG1 VAL 61 -2.254 -6.406 -3.238 431 HG13 VAL 61 3HG1 VAL 61 -1.693 -5.357 -1.936 432 HG21 VAL 61 3HG2 VAL 61 -5.435 -5.584 -3.350 433 HG22 VAL 61 1HG2 VAL 61 -4.960 -5.846 -1.671 434 HG23 VAL 61 2HG2 VAL 61 -5.522 -4.258 -2.191 435 H LEU 62 H LEU 62 -4.782 -2.394 -0.495 436 HA LEU 62 HA LEU 62 -3.211 -3.087 1.846 437 HB2 LEU 62 1HB LEU 62 -5.917 -1.842 1.990 438 HB3 LEU 62 2HB LEU 62 -4.516 -1.600 3.031 439 HG LEU 62 HG LEU 62 -4.670 0.418 1.922 440 HD11 LEU 62 1HD1 LEU 62 -3.002 -0.450 -0.250 441 HD12 LEU 62 2HD1 LEU 62 -2.554 -1.277 1.242 442 HD13 LEU 62 3HD1 LEU 62 -2.580 0.486 1.185 443 HD21 LEU 62 3HD2 LEU 62 -5.743 0.779 -0.014 444 HD22 LEU 62 1HD2 LEU 62 -6.300 -0.884 0.176 445 HD23 LEU 62 2HD2 LEU 62 -4.901 -0.533 -0.841 446 H ASP 63 H ASP 63 -3.367 -5.139 2.498 447 HA ASP 63 HA ASP 63 -5.865 -6.597 2.246 448 HB2 ASP 63 1HB ASP 63 -3.440 -7.499 1.864 449 HB3 ASP 63 2HB ASP 63 -3.427 -7.680 3.616 450 H GLU 64 H GLU 64 -5.765 -4.329 4.060 451 HA GLU 64 HA GLU 64 -5.401 -4.664 6.685 452 HB2 GLU 64 1HB GLU 64 -7.082 -3.109 7.098 453 HB3 GLU 64 2HB GLU 64 -6.671 -2.797 5.417 454 HG2 GLU 64 1HG GLU 64 -8.965 -4.535 6.285 455 HG3 GLU 64 2HG GLU 64 -9.111 -2.818 5.914 456 H ASN 65 H ASN 65 -7.854 -6.308 4.786 457 HA ASN 65 HA ASN 65 -9.581 -7.349 6.567 458 HB2 ASN 65 1HB ASN 65 -8.173 -8.912 4.391 459 HB3 ASN 65 2HB ASN 65 -9.664 -9.406 5.187 460 HD21 ASN 65 1HD2 ASN 65 -8.372 -7.838 2.570 461 HD22 ASN 65 2HD2 ASN 65 -9.775 -6.977 2.045 462 H GLU 66 H GLU 66 -6.640 -9.184 5.723 463 HA GLU 66 HA GLU 66 -6.211 -9.803 8.537 464 HB2 GLU 66 1HB GLU 66 -6.108 -12.216 8.143 465 HB3 GLU 66 2HB GLU 66 -7.707 -11.584 7.776 466 HG2 GLU 66 1HG GLU 66 -5.602 -12.087 5.691 467 HG3 GLU 66 2HG GLU 66 -6.822 -13.271 6.158 468 H GLN 67 H GLN 67 -4.105 -9.892 9.028 469 HA GLN 67 HA GLN 67 -2.134 -10.643 7.043 470 HB2 GLN 67 1HB GLN 67 -2.535 -7.844 7.965 471 HB3 GLN 67 2HB GLN 67 -0.879 -8.411 7.801 472 HG2 GLN 67 1HG GLN 67 -2.959 -8.481 5.628 473 HG3 GLN 67 2HG GLN 67 -1.694 -7.264 5.793 474 HE21 GLN 67 1HE2 GLN 67 -2.467 -10.476 4.829 475 HE22 GLN 67 2HE2 GLN 67 -0.925 -10.881 4.163 476 HA PRO 68 HA PRO 68 -0.314 -12.289 10.713 477 HB2 PRO 68 1HB PRO 68 2.106 -12.935 9.668 478 HB3 PRO 68 2HB PRO 68 0.639 -13.864 9.340 479 HG2 PRO 68 1HG PRO 68 1.977 -11.780 7.659 480 HG3 PRO 68 2HG PRO 68 1.278 -13.334 7.168 481 HD2 PRO 68 1HD PRO 68 -0.023 -10.982 6.839 482 HD3 PRO 68 2HD PRO 68 -0.874 -12.507 7.162 483 H ASP 69 H ASP 69 0.711 -11.390 12.394 484 HA ASP 69 HA ASP 69 2.716 -9.300 11.874 485 HB2 ASP 69 1HB ASP 69 1.774 -8.203 14.015 486 HB3 ASP 69 2HB ASP 69 0.874 -8.005 12.514 487 HA PRO 70 HA PRO 70 4.472 -12.526 14.668 488 HB2 PRO 70 1HB PRO 70 6.932 -12.487 13.521 489 HB3 PRO 70 2HB PRO 70 5.601 -13.475 12.907 490 HG2 PRO 70 1HG PRO 70 6.592 -10.820 11.942 491 HG3 PRO 70 2HG PRO 70 6.105 -12.242 11.000 492 HD2 PRO 70 1HD PRO 70 4.480 -10.106 11.360 493 HD3 PRO 70 2HD PRO 70 3.860 -11.762 11.202 494 H SER 71 H SER 71 6.177 -9.638 13.450 495 HA SER 71 HA SER 71 6.416 -8.439 15.990 496 HB2 SER 71 1HB SER 71 8.022 -10.284 16.365 497 HB3 SER 71 2HB SER 71 8.950 -9.744 14.966 498 HG SER 71 HG SER 71 8.476 -8.299 17.362 499 H GLY 72 H GLY 72 7.770 -6.475 15.937 500 HA2 GLY 72 1HA GLY 72 9.220 -5.321 14.038 501 HA3 GLY 72 2HA GLY 72 7.634 -5.275 13.282 502 H LYS 73 H LYS 73 9.152 -4.485 16.410 503 HA LYS 73 HA LYS 73 7.496 -2.047 16.471 504 HB2 LYS 73 1HB LYS 73 6.902 -3.611 18.258 505 HB3 LYS 73 2HB LYS 73 8.577 -3.658 18.792 506 HG2 LYS 73 1HG LYS 73 8.200 -1.042 18.976 507 HG3 LYS 73 2HG LYS 73 6.521 -1.555 19.159 508 HD2 LYS 73 1HD LYS 73 7.286 -3.118 20.959 509 HD3 LYS 73 2HD LYS 73 8.882 -2.374 20.846 510 HE2 LYS 73 1HE LYS 73 7.831 -1.254 22.615 511 HE3 LYS 73 2HE LYS 73 7.684 -0.156 21.244 512 HZ1 LYS 73 3HZ LYS 73 5.429 -1.494 20.979 513 HZ2 LYS 73 1HZ LYS 73 5.553 -0.117 21.955 514 HZ3 LYS 73 2HZ LYS 73 5.620 -1.656 22.652 515 H GLU 74 H GLU 74 8.569 -0.197 16.308 516 HA GLU 74 HA GLU 74 11.464 -0.206 16.807 517 HB2 GLU 74 1HB GLU 74 9.684 1.340 14.978 518 HB3 GLU 74 2HB GLU 74 11.158 2.108 15.551 519 HG2 GLU 74 1HG GLU 74 11.315 -0.630 14.398 520 HG3 GLU 74 2HG GLU 74 11.123 0.750 13.317 521 H SER 75 H SER 75 12.193 0.732 18.587 522 HA SER 75 HA SER 75 10.444 2.247 20.288 523 HB2 SER 75 1HB SER 75 12.428 0.615 20.902 524 HB3 SER 75 2HB SER 75 13.391 2.087 20.776 525 HG SER 75 HG SER 75 11.028 2.187 22.261 526 H GLY 76 H GLY 76 13.405 2.951 18.448 527 HA2 GLY 76 1HA GLY 76 13.991 5.498 19.080 528 HA3 GLY 76 2HA GLY 76 14.013 4.937 17.415 529 HA PRO 77 HA PRO 77 10.946 7.934 16.476 530 HB2 PRO 77 1HB PRO 77 9.867 6.805 14.256 531 HB3 PRO 77 2HB PRO 77 11.463 7.564 14.269 532 HG2 PRO 77 1HG PRO 77 10.744 4.664 14.450 533 HG3 PRO 77 2HG PRO 77 12.031 5.441 13.509 534 HD2 PRO 77 1HD PRO 77 12.501 4.192 15.865 535 HD3 PRO 77 2HD PRO 77 13.437 5.601 15.328 536 H SER 78 H SER 78 9.195 8.158 17.720 537 HA SER 78 HA SER 78 7.153 6.034 17.649 538 HB2 SER 78 1HB SER 78 8.016 7.765 19.972 539 HB3 SER 78 2HB SER 78 6.542 6.798 19.980 540 HG SER 78 HG SER 78 9.114 5.718 19.481 541 H SER 79 H SER 79 4.981 6.677 17.658 542 HA SER 79 HA SER 79 4.140 8.649 16.056 543 HB2 SER 79 1HB SER 79 2.876 7.346 18.417 544 HB3 SER 79 2HB SER 79 2.069 8.760 17.739 545 HG SER 79 HG SER 79 1.456 6.667 16.829 546 H GLY 80 H GLY 80 3.790 10.816 16.071 547 HA2 GLY 80 1HA GLY 80 5.231 12.427 17.878 548 HA3 GLY 80 2HA GLY 80 4.053 13.004 16.709 Start of MODEL 15 1 H1 GLY 1 H GLY 1 11.475 -11.820 14.838 2 HA2 GLY 1 1HA GLY 1 13.862 -13.532 14.590 3 HA3 GLY 1 2HA GLY 1 13.974 -11.807 14.274 4 H SER 2 H SER 2 15.595 -11.807 15.967 5 HA SER 2 HA SER 2 15.375 -12.587 18.560 6 HB2 SER 2 1HB SER 2 17.361 -11.457 17.626 7 HB3 SER 2 2HB SER 2 16.486 -9.925 17.633 8 HG SER 2 HG SER 2 16.206 -10.563 20.017 9 H SER 3 H SER 3 14.109 -9.552 17.209 10 HA SER 3 HA SER 3 11.859 -9.541 18.936 11 HB2 SER 3 1HB SER 3 13.499 -8.869 20.619 12 HB3 SER 3 2HB SER 3 14.061 -7.563 19.576 13 HG SER 3 HG SER 3 12.366 -6.404 20.097 14 H GLY 4 H GLY 4 10.478 -7.658 18.601 15 HA2 GLY 4 1HA GLY 4 9.826 -5.720 17.422 16 HA3 GLY 4 2HA GLY 4 11.217 -5.922 16.367 17 H SER 5 H SER 5 7.952 -6.996 17.053 18 HA SER 5 HA SER 5 7.860 -8.269 14.398 19 HB2 SER 5 1HB SER 5 6.071 -8.762 16.791 20 HB3 SER 5 2HB SER 5 5.965 -9.588 15.237 21 HG SER 5 HG SER 5 7.790 -10.666 15.660 22 H SER 6 H SER 6 5.793 -6.482 16.689 23 HA SER 6 HA SER 6 4.011 -5.658 14.575 24 HB2 SER 6 1HB SER 6 4.129 -4.930 17.510 25 HB3 SER 6 2HB SER 6 2.868 -4.386 16.403 26 HG SER 6 HG SER 6 3.150 -6.775 17.658 27 H GLY 7 H GLY 7 4.974 -4.291 13.156 28 HA2 GLY 7 1HA GLY 7 5.576 -1.620 14.125 29 HA3 GLY 7 2HA GLY 7 6.927 -2.472 13.393 30 H ALA 8 H ALA 8 7.056 -2.645 11.200 31 HA ALA 8 HA ALA 8 5.410 -0.863 9.666 32 HB1 ALA 8 3HB ALA 8 6.830 -1.817 7.748 33 HB2 ALA 8 1HB ALA 8 7.642 -0.873 8.998 34 HB3 ALA 8 2HB ALA 8 7.740 -2.634 9.019 35 H THR 9 H THR 9 4.678 -1.715 7.413 36 HA THR 9 HA THR 9 3.374 -4.334 7.709 37 HB THR 9 HB THR 9 2.044 -1.784 6.780 38 HG1 THR 9 1HG THR 9 0.566 -2.662 8.563 39 HG21 THR 9 3HG2 THR 9 1.181 -4.658 6.604 40 HG22 THR 9 1HG2 THR 9 1.194 -3.432 5.337 41 HG23 THR 9 2HG2 THR 9 0.011 -3.339 6.642 42 H SER 10 H SER 10 3.366 -5.586 5.920 43 HA SER 10 HA SER 10 4.729 -4.522 3.558 44 HB2 SER 10 1HB SER 10 5.171 -6.813 2.952 45 HB3 SER 10 2HB SER 10 5.563 -6.619 4.660 46 HG SER 10 HG SER 10 4.353 -8.495 4.368 47 H TYR 11 H TYR 11 3.767 -4.301 1.623 48 HA TYR 11 HA TYR 11 0.961 -5.173 1.400 49 HB2 TYR 11 1HB TYR 11 2.334 -2.780 0.164 50 HB3 TYR 11 2HB TYR 11 0.687 -3.280 -0.202 51 HD1 TYR 11 2HD TYR 11 2.700 -2.750 2.911 52 HD2 TYR 11 1HD TYR 11 -0.914 -1.974 0.804 53 HE1 TYR 11 2HE TYR 11 1.881 -1.427 4.815 54 HE2 TYR 11 1HE TYR 11 -1.743 -0.647 2.702 55 HH TYR 11 HH TYR 11 -1.396 -0.293 4.992 56 H MET 12 H MET 12 0.260 -5.377 -0.965 57 HA MET 12 HA MET 12 2.370 -6.801 -2.450 58 HB2 MET 12 1HB MET 12 0.774 -8.415 -1.778 59 HB3 MET 12 2HB MET 12 -0.576 -7.361 -2.177 60 HG2 MET 12 1HG MET 12 -0.264 -9.215 -3.772 61 HG3 MET 12 2HG MET 12 -0.170 -7.622 -4.519 62 HE1 MET 12 3HE MET 12 2.366 -11.041 -4.896 63 HE2 MET 12 1HE MET 12 2.829 -10.539 -3.270 64 HE3 MET 12 2HE MET 12 1.129 -10.791 -3.664 65 H THR 13 H THR 13 2.842 -6.115 -4.440 66 HA THR 13 HA THR 13 1.577 -3.765 -5.477 67 HB THR 13 HB THR 13 3.179 -3.877 -7.284 68 HG1 THR 13 1HG THR 13 3.856 -5.762 -7.942 69 HG21 THR 13 3HG2 THR 13 4.109 -3.004 -5.274 70 HG22 THR 13 1HG2 THR 13 5.313 -4.097 -5.955 71 HG23 THR 13 2HG2 THR 13 4.320 -4.617 -4.593 72 H CYS 14 H CYS 14 -0.152 -3.678 -6.741 73 HA CYS 14 HA CYS 14 -1.229 -6.108 -7.895 74 HB2 CYS 14 1HB CYS 14 -2.542 -4.192 -6.715 75 HB3 CYS 14 2HB CYS 14 -2.423 -3.378 -8.270 76 HG CYS 14 HG CYS 14 -3.467 -6.175 -9.213 77 H SER 15 H SER 15 0.549 -3.329 -8.908 78 HA SER 15 HA SER 15 0.645 -4.390 -11.623 79 HB2 SER 15 1HB SER 15 -1.186 -2.602 -11.435 80 HB3 SER 15 2HB SER 15 0.127 -1.448 -11.205 81 HG SER 15 HG SER 15 0.419 -1.485 -13.274 82 H ALA 16 H ALA 16 2.246 -2.950 -12.950 83 HA ALA 16 HA ALA 16 4.685 -2.826 -11.378 84 HB1 ALA 16 3HB ALA 16 4.404 -2.331 -14.333 85 HB2 ALA 16 1HB ALA 16 5.855 -2.786 -13.438 86 HB3 ALA 16 2HB ALA 16 4.538 -3.943 -13.631 87 H TYR 17 H TYR 17 5.358 -1.009 -10.467 88 HA TYR 17 HA TYR 17 4.261 1.544 -11.326 89 HB2 TYR 17 1HB TYR 17 4.237 1.352 -8.991 90 HB3 TYR 17 2HB TYR 17 5.842 0.631 -8.939 91 HD1 TYR 17 2HD TYR 17 7.844 2.037 -9.151 92 HD2 TYR 17 1HD TYR 17 3.946 3.740 -9.065 93 HE1 TYR 17 2HE TYR 17 8.825 4.245 -8.689 94 HE2 TYR 17 1HE TYR 17 4.916 5.953 -8.604 95 HH TYR 17 HH TYR 17 7.250 7.072 -9.072 96 H GLN 18 H GLN 18 5.365 3.120 -12.348 97 HA GLN 18 HA GLN 18 8.079 2.478 -13.239 98 HB2 GLN 18 1HB GLN 18 6.360 2.997 -14.947 99 HB3 GLN 18 2HB GLN 18 6.177 4.600 -14.249 100 HG2 GLN 18 1HG GLN 18 8.863 3.679 -15.161 101 HG3 GLN 18 2HG GLN 18 7.678 4.246 -16.337 102 HE21 GLN 18 1HE2 GLN 18 9.683 5.743 -16.490 103 HE22 GLN 18 2HE2 GLN 18 9.564 7.213 -15.590 104 H LYS 19 H LYS 19 9.769 3.440 -12.345 105 HA LYS 19 HA LYS 19 9.399 5.618 -10.487 106 HB2 LYS 19 1HB LYS 19 11.782 5.351 -10.018 107 HB3 LYS 19 2HB LYS 19 10.961 3.796 -9.973 108 HG2 LYS 19 1HG LYS 19 12.018 3.024 -11.840 109 HG3 LYS 19 2HG LYS 19 12.226 4.638 -12.525 110 HD2 LYS 19 1HD LYS 19 13.689 3.780 -10.047 111 HD3 LYS 19 2HD LYS 19 14.313 3.422 -11.659 112 HE2 LYS 19 1HE LYS 19 14.236 5.830 -12.189 113 HE3 LYS 19 2HE LYS 19 13.688 6.155 -10.545 114 HZ1 LYS 19 3HZ LYS 19 16.188 6.345 -11.128 115 HZ2 LYS 19 1HZ LYS 19 16.184 4.660 -10.973 116 HZ3 LYS 19 2HZ LYS 19 15.729 5.631 -9.665 117 H VAL 20 H VAL 20 10.526 7.634 -10.595 118 HA VAL 20 HA VAL 20 11.192 8.464 -13.345 119 HB VAL 20 HB VAL 20 9.095 9.483 -12.703 120 HG11 VAL 20 1HG1 VAL 20 10.424 10.884 -10.415 121 HG12 VAL 20 2HG1 VAL 20 8.704 10.657 -10.736 122 HG13 VAL 20 3HG1 VAL 20 9.689 9.296 -10.197 123 HG21 VAL 20 3HG2 VAL 20 11.171 10.801 -13.756 124 HG22 VAL 20 1HG2 VAL 20 9.602 11.555 -13.474 125 HG23 VAL 20 2HG2 VAL 20 10.912 11.786 -12.317 126 H GLN 21 H GLN 21 11.748 9.127 -9.901 127 HA GLN 21 HA GLN 21 14.266 10.462 -10.588 128 HB2 GLN 21 1HB GLN 21 12.571 10.422 -8.102 129 HB3 GLN 21 2HB GLN 21 14.228 11.011 -8.076 130 HG2 GLN 21 1HG GLN 21 11.977 12.105 -9.748 131 HG3 GLN 21 2HG GLN 21 12.660 12.842 -8.300 132 HE21 GLN 21 1HE2 GLN 21 12.564 14.327 -10.523 133 HE22 GLN 21 2HE2 GLN 21 14.139 14.530 -11.201 134 H ASP 22 H ASP 22 16.224 9.892 -9.533 135 HA ASP 22 HA ASP 22 16.837 7.201 -9.483 136 HB2 ASP 22 1HB ASP 22 18.898 7.853 -8.265 137 HB3 ASP 22 2HB ASP 22 18.564 8.899 -9.643 138 H SER 23 H SER 23 15.550 9.217 -6.941 139 HA SER 23 HA SER 23 16.095 7.515 -4.756 140 HB2 SER 23 1HB SER 23 13.970 9.621 -5.186 141 HB3 SER 23 2HB SER 23 14.194 8.776 -3.655 142 HG SER 23 HG SER 23 15.588 10.313 -3.299 143 H GLU 24 H GLU 24 13.226 7.855 -6.826 144 HA GLU 24 HA GLU 24 11.728 5.826 -5.529 145 HB2 GLU 24 1HB GLU 24 11.482 7.033 -8.287 146 HB3 GLU 24 2HB GLU 24 10.321 5.903 -7.606 147 HG2 GLU 24 1HG GLU 24 9.495 7.427 -6.116 148 HG3 GLU 24 2HG GLU 24 10.993 8.354 -6.065 149 H ILE 25 H ILE 25 10.971 3.830 -6.693 150 HA ILE 25 HA ILE 25 13.000 2.643 -8.432 151 HB ILE 25 HB ILE 25 13.857 1.746 -6.491 152 HG12 ILE 25 1HG1 ILE 25 12.845 0.004 -8.150 153 HG13 ILE 25 2HG1 ILE 25 13.438 -0.540 -6.584 154 HG21 ILE 25 1HG2 ILE 25 11.980 0.759 -4.803 155 HG22 ILE 25 2HG2 ILE 25 12.697 2.363 -4.669 156 HG23 ILE 25 3HG2 ILE 25 11.137 2.159 -5.466 157 HD11 ILE 25 3HD1 ILE 25 10.620 0.227 -6.589 158 HD12 ILE 25 1HD1 ILE 25 11.007 -1.136 -7.639 159 HD13 ILE 25 2HD1 ILE 25 11.413 -1.200 -5.923 160 H SER 26 H SER 26 12.233 1.079 -9.815 161 HA SER 26 HA SER 26 9.319 0.877 -9.969 162 HB2 SER 26 1HB SER 26 9.779 -0.038 -12.265 163 HB3 SER 26 2HB SER 26 10.365 1.606 -12.011 164 HG SER 26 HG SER 26 12.117 -0.492 -11.459 165 H PHE 27 H PHE 27 8.217 -0.994 -9.755 166 HA PHE 27 HA PHE 27 9.755 -3.481 -9.448 167 HB2 PHE 27 1HB PHE 27 8.063 -4.088 -7.627 168 HB3 PHE 27 2HB PHE 27 9.296 -2.904 -7.205 169 HD1 PHE 27 1HD PHE 27 5.749 -3.347 -8.098 170 HD2 PHE 27 2HD PHE 27 8.720 -0.685 -6.615 171 HE1 PHE 27 1HE PHE 27 3.989 -1.767 -7.420 172 HE2 PHE 27 2HE PHE 27 6.966 0.900 -5.934 173 HZ PHE 27 HZ PHE 27 4.597 0.359 -6.336 174 HA PRO 28 HA PRO 28 6.819 -5.216 -12.221 175 HB2 PRO 28 1HB PRO 28 6.988 -7.828 -11.501 176 HB3 PRO 28 2HB PRO 28 8.259 -6.997 -12.406 177 HG2 PRO 28 1HG PRO 28 8.102 -7.597 -9.478 178 HG3 PRO 28 2HG PRO 28 9.486 -7.743 -10.577 179 HD2 PRO 28 1HD PRO 28 9.176 -5.644 -8.895 180 HD3 PRO 28 2HD PRO 28 9.960 -5.490 -10.480 181 H ALA 29 H ALA 29 4.898 -6.762 -12.217 182 HA ALA 29 HA ALA 29 3.220 -6.107 -9.910 183 HB1 ALA 29 3HB ALA 29 2.463 -5.523 -12.211 184 HB2 ALA 29 1HB ALA 29 2.366 -7.249 -12.565 185 HB3 ALA 29 2HB ALA 29 1.334 -6.544 -11.319 186 H GLY 30 H GLY 30 3.681 -7.629 -8.371 187 HA2 GLY 30 1HA GLY 30 2.446 -9.855 -7.894 188 HA3 GLY 30 2HA GLY 30 3.515 -10.460 -9.151 189 H VAL 31 H VAL 31 4.439 -8.049 -6.774 190 HA VAL 31 HA VAL 31 6.057 -10.063 -5.372 191 HB VAL 31 HB VAL 31 7.863 -8.251 -5.206 192 HG11 VAL 31 1HG1 VAL 31 7.347 -10.267 -7.126 193 HG12 VAL 31 2HG1 VAL 31 8.085 -8.902 -7.966 194 HG13 VAL 31 3HG1 VAL 31 8.904 -9.639 -6.588 195 HG21 VAL 31 3HG2 VAL 31 6.983 -6.289 -6.000 196 HG22 VAL 31 1HG2 VAL 31 7.786 -6.883 -7.453 197 HG23 VAL 31 2HG2 VAL 31 6.046 -7.091 -7.261 198 H GLU 32 H GLU 32 6.715 -9.446 -3.225 199 HA GLU 32 HA GLU 32 4.748 -7.689 -1.964 200 HB2 GLU 32 1HB GLU 32 4.906 -9.902 -1.014 201 HB3 GLU 32 2HB GLU 32 6.645 -9.742 -0.820 202 HG2 GLU 32 1HG GLU 32 6.360 -8.060 0.866 203 HG3 GLU 32 2HG GLU 32 4.618 -8.032 0.599 204 H VAL 33 H VAL 33 5.274 -5.910 -0.764 205 HA VAL 33 HA VAL 33 8.108 -5.211 -0.485 206 HB VAL 33 HB VAL 33 7.577 -2.859 -1.153 207 HG11 VAL 33 1HG1 VAL 33 7.189 -3.636 -3.688 208 HG12 VAL 33 2HG1 VAL 33 8.732 -3.813 -2.851 209 HG13 VAL 33 3HG1 VAL 33 7.631 -5.186 -2.973 210 HG21 VAL 33 3HG2 VAL 33 5.395 -3.239 -2.852 211 HG22 VAL 33 1HG2 VAL 33 4.925 -3.975 -1.319 212 HG23 VAL 33 2HG2 VAL 33 5.437 -2.288 -1.367 213 H GLN 34 H GLN 34 8.539 -3.620 1.141 214 HA GLN 34 HA GLN 34 6.511 -3.630 3.253 215 HB2 GLN 34 1HB GLN 34 9.485 -3.393 3.204 216 HB3 GLN 34 2HB GLN 34 8.610 -2.656 4.540 217 HG2 GLN 34 1HG GLN 34 9.120 -4.747 5.360 218 HG3 GLN 34 2HG GLN 34 7.473 -4.958 4.768 219 HE21 GLN 34 1HE2 GLN 34 10.822 -5.210 3.623 220 HE22 GLN 34 2HE2 GLN 34 10.580 -6.652 2.704 221 H VAL 35 H VAL 35 6.207 -1.681 4.547 222 HA VAL 35 HA VAL 35 6.584 0.777 2.961 223 HB VAL 35 HB VAL 35 4.229 -0.008 4.680 224 HG11 VAL 35 1HG1 VAL 35 4.805 2.627 3.327 225 HG12 VAL 35 2HG1 VAL 35 3.286 2.188 4.110 226 HG13 VAL 35 3HG1 VAL 35 4.762 2.332 5.065 227 HG21 VAL 35 3HG2 VAL 35 4.637 -0.688 2.132 228 HG22 VAL 35 1HG2 VAL 35 3.038 -0.300 2.768 229 HG23 VAL 35 2HG2 VAL 35 3.952 0.917 1.878 230 H LEU 36 H LEU 36 8.178 1.867 3.935 231 HA LEU 36 HA LEU 36 8.629 1.748 6.766 232 HB2 LEU 36 1HB LEU 36 9.837 3.692 4.814 233 HB3 LEU 36 2HB LEU 36 10.484 3.187 6.373 234 HG LEU 36 HG LEU 36 10.199 1.350 3.999 235 HD11 LEU 36 1HD1 LEU 36 12.469 3.097 4.886 236 HD12 LEU 36 2HD1 LEU 36 11.772 2.917 3.277 237 HD13 LEU 36 3HD1 LEU 36 12.743 1.617 3.967 238 HD21 LEU 36 3HD2 LEU 36 12.173 0.804 6.090 239 HD22 LEU 36 1HD2 LEU 36 11.031 -0.278 5.293 240 HD23 LEU 36 2HD2 LEU 36 10.498 0.732 6.638 241 H GLU 37 H GLU 37 7.879 4.467 4.575 242 HA GLU 37 HA GLU 37 6.408 5.717 6.801 243 HB2 GLU 37 1HB GLU 37 8.704 6.734 6.014 244 HB3 GLU 37 2HB GLU 37 7.731 7.388 4.704 245 HG2 GLU 37 1HG GLU 37 6.371 8.614 6.211 246 HG3 GLU 37 2HG GLU 37 7.062 7.787 7.606 247 H LYS 38 H LYS 38 4.574 6.950 6.253 248 HA LYS 38 HA LYS 38 3.630 6.712 3.483 249 HB2 LYS 38 1HB LYS 38 2.104 5.926 5.968 250 HB3 LYS 38 2HB LYS 38 1.344 6.171 4.400 251 HG2 LYS 38 1HG LYS 38 3.108 4.431 3.589 252 HG3 LYS 38 2HG LYS 38 3.178 4.000 5.299 253 HD2 LYS 38 1HD LYS 38 0.499 4.268 4.043 254 HD3 LYS 38 2HD LYS 38 1.467 2.853 3.624 255 HE2 LYS 38 1HE LYS 38 0.739 3.728 6.418 256 HE3 LYS 38 2HE LYS 38 -0.022 2.414 5.522 257 HZ1 LYS 38 3HZ LYS 38 2.795 2.546 6.446 258 HZ2 LYS 38 1HZ LYS 38 2.194 1.343 5.419 259 HZ3 LYS 38 2HZ LYS 38 1.590 1.491 6.991 260 H GLN 39 H GLN 39 3.006 8.616 2.721 261 HA GLN 39 HA GLN 39 2.504 10.800 4.591 262 HB2 GLN 39 1HB GLN 39 3.199 10.636 1.684 263 HB3 GLN 39 2HB GLN 39 2.445 12.095 2.312 264 HG2 GLN 39 1HG GLN 39 5.096 10.904 3.045 265 HG3 GLN 39 2HG GLN 39 4.753 12.495 2.366 266 HE21 GLN 39 1HE2 GLN 39 3.271 13.852 3.789 267 HE22 GLN 39 2HE2 GLN 39 3.636 13.856 5.478 268 H GLU 40 H GLU 40 0.593 11.871 4.773 269 HA GLU 40 HA GLU 40 -1.802 10.614 4.348 270 HB2 GLU 40 1HB GLU 40 -1.063 13.495 4.689 271 HB3 GLU 40 2HB GLU 40 -2.731 13.070 4.331 272 HG2 GLU 40 1HG GLU 40 -2.622 13.223 6.659 273 HG3 GLU 40 2HG GLU 40 -2.603 11.494 6.312 274 H SER 41 H SER 41 -0.079 12.771 2.159 275 HA SER 41 HA SER 41 -1.979 13.286 0.249 276 HB2 SER 41 1HB SER 41 0.948 12.647 -0.186 277 HB3 SER 41 2HB SER 41 -0.105 13.399 -1.384 278 HG SER 41 HG SER 41 0.621 15.156 -0.448 279 H GLY 42 H GLY 42 0.302 10.538 0.135 280 HA2 GLY 42 1HA GLY 42 -1.367 8.470 -0.350 281 HA3 GLY 42 2HA GLY 42 -1.267 9.248 -1.923 282 H TRP 43 H TRP 43 1.498 10.084 -1.578 283 HA TRP 43 HA TRP 43 2.760 7.741 -2.579 284 HB2 TRP 43 1HB TRP 43 3.796 10.472 -1.825 285 HB3 TRP 43 2HB TRP 43 4.851 9.199 -2.431 286 HD1 TRP 43 HD TRP 43 2.097 11.596 -3.554 287 HE1 TRP 43 1HE TRP 43 2.037 11.638 -6.127 288 HE3 TRP 43 3HE TRP 43 5.368 7.784 -4.505 289 HZ2 TRP 43 2HZ TRP 43 3.218 10.240 -8.275 290 HZ3 TRP 43 3HZ TRP 43 5.848 7.199 -6.847 291 HH2 TRP 43 HH TRP 43 4.794 8.402 -8.691 292 H TRP 44 H TRP 44 3.519 6.104 -1.428 293 HA TRP 44 HA TRP 44 4.403 6.614 1.335 294 HB2 TRP 44 1HB TRP 44 3.363 4.051 0.106 295 HB3 TRP 44 2HB TRP 44 3.906 4.235 1.772 296 HD1 TRP 44 HD TRP 44 2.265 7.302 1.552 297 HE1 TRP 44 1HE TRP 44 -0.230 7.195 2.177 298 HE3 TRP 44 3HE TRP 44 1.535 2.260 1.117 299 HZ2 TRP 44 2HZ TRP 44 -2.241 5.233 2.450 300 HZ3 TRP 44 3HZ TRP 44 -0.704 1.349 1.579 301 HH2 TRP 44 HH TRP 44 -2.551 2.806 2.231 302 H TYR 45 H TYR 45 6.357 5.811 2.042 303 HA TYR 45 HA TYR 45 8.293 5.252 -0.037 304 HB2 TYR 45 1HB TYR 45 8.586 6.763 2.073 305 HB3 TYR 45 2HB TYR 45 8.933 5.245 2.894 306 HD1 TYR 45 1HD TYR 45 9.859 6.392 -0.533 307 HD2 TYR 45 2HD TYR 45 11.213 5.266 3.340 308 HE1 TYR 45 1HE TYR 45 12.186 6.506 -1.320 309 HE2 TYR 45 2HE TYR 45 13.544 5.378 2.565 310 HH TYR 45 HH TYR 45 14.513 5.225 -0.373 311 H VAL 46 H VAL 46 8.423 3.235 -0.771 312 HA VAL 46 HA VAL 46 8.123 1.007 1.124 313 HB VAL 46 HB VAL 46 8.041 -0.343 -1.099 314 HG11 VAL 46 1HG1 VAL 46 5.565 0.288 -1.324 315 HG12 VAL 46 2HG1 VAL 46 6.123 -0.319 0.236 316 HG13 VAL 46 3HG1 VAL 46 5.869 1.411 0.001 317 HG21 VAL 46 3HG2 VAL 46 8.602 2.033 -2.239 318 HG22 VAL 46 1HG2 VAL 46 7.744 0.731 -3.063 319 HG23 VAL 46 2HG2 VAL 46 6.841 2.055 -2.327 320 H ARG 47 H ARG 47 9.459 -0.988 0.409 321 HA ARG 47 HA ARG 47 12.129 -0.213 -0.513 322 HB2 ARG 47 1HB ARG 47 12.355 -0.089 1.864 323 HB3 ARG 47 2HB ARG 47 11.497 -1.607 2.086 324 HG2 ARG 47 1HG ARG 47 13.317 -2.854 1.177 325 HG3 ARG 47 2HG ARG 47 14.148 -1.376 0.685 326 HD2 ARG 47 1HD ARG 47 15.107 -2.338 2.730 327 HD3 ARG 47 2HD ARG 47 14.433 -0.732 3.005 328 HE ARG 47 HE ARG 47 12.500 -2.700 3.596 329 HH11 ARG 47 1HH1 ARG 47 15.463 -1.346 4.823 330 HH12 ARG 47 2HH1 ARG 47 15.097 -1.708 6.477 331 HH21 ARG 47 1HH2 ARG 47 12.006 -3.182 5.770 332 HH22 ARG 47 2HH2 ARG 47 13.131 -2.754 7.014 333 H PHE 48 H PHE 48 12.745 -1.538 -2.077 334 HA PHE 48 HA PHE 48 11.645 -4.270 -2.121 335 HB2 PHE 48 1HB PHE 48 10.944 -2.803 -4.009 336 HB3 PHE 48 2HB PHE 48 12.636 -2.640 -4.468 337 HD1 PHE 48 2HD PHE 48 10.481 -5.526 -3.485 338 HD2 PHE 48 1HD PHE 48 13.095 -3.815 -6.376 339 HE1 PHE 48 2HE PHE 48 10.302 -7.566 -4.849 340 HE2 PHE 48 1HE PHE 48 12.919 -5.853 -7.745 341 HZ PHE 48 HZ PHE 48 11.523 -7.731 -6.981 342 H GLY 49 H GLY 49 13.240 -5.337 -0.998 343 HA2 GLY 49 1HA GLY 49 15.177 -6.590 -0.889 344 HA3 GLY 49 2HA GLY 49 15.622 -5.958 -2.468 345 H GLU 50 H GLU 50 17.048 -4.289 -2.615 346 HA GLU 50 HA GLU 50 18.116 -3.270 -0.065 347 HB2 GLU 50 1HB GLU 50 20.275 -3.010 -1.218 348 HB3 GLU 50 2HB GLU 50 19.728 -4.681 -1.216 349 HG2 GLU 50 1HG GLU 50 18.842 -4.281 -3.533 350 HG3 GLU 50 2HG GLU 50 19.687 -2.735 -3.503 351 H LEU 51 H LEU 51 16.278 -2.402 -2.629 352 HA LEU 51 HA LEU 51 17.298 0.356 -2.703 353 HB2 LEU 51 1HB LEU 51 15.374 -1.014 -4.576 354 HB3 LEU 51 2HB LEU 51 15.999 0.624 -4.747 355 HG LEU 51 HG LEU 51 18.311 -0.484 -4.889 356 HD11 LEU 51 1HD1 LEU 51 17.781 -2.684 -4.128 357 HD12 LEU 51 2HD1 LEU 51 18.215 -2.791 -5.834 358 HD13 LEU 51 3HD1 LEU 51 16.521 -2.862 -5.349 359 HD21 LEU 51 3HD2 LEU 51 16.760 0.482 -6.754 360 HD22 LEU 51 1HD2 LEU 51 16.584 -1.212 -7.212 361 HD23 LEU 51 2HD2 LEU 51 18.183 -0.468 -7.188 362 H GLU 52 H GLU 52 15.831 2.108 -2.502 363 HA GLU 52 HA GLU 52 13.212 1.444 -1.349 364 HB2 GLU 52 1HB GLU 52 15.247 3.355 -0.194 365 HB3 GLU 52 2HB GLU 52 13.566 3.291 0.315 366 HG2 GLU 52 1HG GLU 52 13.810 1.162 1.253 367 HG3 GLU 52 2HG GLU 52 15.330 0.871 0.409 368 H GLY 53 H GLY 53 11.634 2.476 -2.372 369 HA2 GLY 53 1HA GLY 53 12.187 5.145 -3.490 370 HA3 GLY 53 2HA GLY 53 11.442 3.909 -4.492 371 H TRP 54 H TRP 54 10.109 6.213 -4.247 372 HA TRP 54 HA TRP 54 8.093 5.815 -2.154 373 HB2 TRP 54 1HB TRP 54 8.783 8.174 -3.902 374 HB3 TRP 54 2HB TRP 54 7.310 8.116 -2.939 375 HD1 TRP 54 HD TRP 54 11.119 8.352 -2.567 376 HE1 TRP 54 1HE TRP 54 11.658 9.198 -0.197 377 HE3 TRP 54 3HE TRP 54 6.413 8.234 -0.573 378 HZ2 TRP 54 2HZ TRP 54 10.272 9.742 2.201 379 HZ3 TRP 54 3HZ TRP 54 6.105 8.932 1.766 380 HH2 TRP 54 HH TRP 54 7.996 9.670 3.123 381 H ALA 55 H ALA 55 6.539 4.456 -2.794 382 HA ALA 55 HA ALA 55 5.466 4.745 -5.522 383 HB1 ALA 55 3HB ALA 55 4.884 2.479 -5.521 384 HB2 ALA 55 1HB ALA 55 6.479 2.522 -4.768 385 HB3 ALA 55 2HB ALA 55 5.035 2.348 -3.769 386 HA PRO 56 HA PRO 56 1.672 6.235 -3.863 387 HB2 PRO 56 1HB PRO 56 0.000 5.525 -5.880 388 HB3 PRO 56 2HB PRO 56 1.150 6.861 -6.011 389 HG2 PRO 56 1HG PRO 56 1.384 4.054 -7.025 390 HG3 PRO 56 2HG PRO 56 1.815 5.574 -7.830 391 HD2 PRO 56 1HD PRO 56 3.656 3.978 -6.650 392 HD3 PRO 56 2HD PRO 56 3.822 5.744 -6.710 393 H SER 57 H SER 57 -0.142 5.536 -2.770 394 HA SER 57 HA SER 57 -0.185 2.812 -1.955 395 HB2 SER 57 1HB SER 57 -2.108 3.453 -0.588 396 HB3 SER 57 2HB SER 57 -0.842 4.675 -0.463 397 HG SER 57 HG SER 57 -2.712 5.778 -0.808 398 H HIS 58 H HIS 58 -1.779 4.598 -4.439 399 HA HIS 58 HA HIS 58 -4.102 3.129 -4.832 400 HB2 HIS 58 1HB HIS 58 -2.369 4.277 -7.027 401 HB3 HIS 58 2HB HIS 58 -4.102 3.969 -7.094 402 HD1 HIS 58 1HD HIS 58 -1.620 6.495 -6.105 403 HD2 HIS 58 2HD HIS 58 -5.670 5.788 -5.508 404 HE1 HIS 58 1HE HIS 58 -2.562 8.665 -5.254 405 HE2 HIS 58 2HE HIS 58 -4.997 8.189 -4.819 406 H TYR 59 H TYR 59 -0.806 2.467 -5.905 407 HA TYR 59 HA TYR 59 -1.525 0.178 -7.464 408 HB2 TYR 59 1HB TYR 59 1.110 1.241 -6.451 409 HB3 TYR 59 2HB TYR 59 0.989 -0.249 -7.380 410 HD1 TYR 59 1HD TYR 59 -0.358 3.236 -7.632 411 HD2 TYR 59 2HD TYR 59 1.507 -0.037 -9.610 412 HE1 TYR 59 1HE TYR 59 -0.295 4.540 -9.717 413 HE2 TYR 59 2HE TYR 59 1.576 1.258 -11.699 414 HH TYR 59 HH TYR 59 0.333 4.584 -11.842 415 H LEU 60 H LEU 60 -0.325 0.714 -4.192 416 HA LEU 60 HA LEU 60 0.094 -2.026 -3.572 417 HB2 LEU 60 1HB LEU 60 -0.421 0.299 -1.724 418 HB3 LEU 60 2HB LEU 60 0.214 -1.274 -1.250 419 HG LEU 60 HG LEU 60 1.627 0.619 -3.123 420 HD11 LEU 60 1HD1 LEU 60 2.950 0.336 -0.626 421 HD12 LEU 60 2HD1 LEU 60 1.284 0.825 -0.318 422 HD13 LEU 60 3HD1 LEU 60 2.307 1.798 -1.376 423 HD21 LEU 60 3HD2 LEU 60 3.536 -0.945 -2.110 424 HD22 LEU 60 1HD2 LEU 60 2.639 -1.360 -3.571 425 HD23 LEU 60 2HD2 LEU 60 2.182 -2.073 -2.023 426 H VAL 61 H VAL 61 -1.208 -3.506 -2.571 427 HA VAL 61 HA VAL 61 -4.070 -2.886 -2.573 428 HB VAL 61 HB VAL 61 -4.466 -5.263 -2.553 429 HG11 VAL 61 1HG1 VAL 61 -2.245 -4.640 -4.497 430 HG12 VAL 61 2HG1 VAL 61 -3.479 -5.889 -4.672 431 HG13 VAL 61 3HG1 VAL 61 -3.936 -4.186 -4.708 432 HG21 VAL 61 3HG2 VAL 61 -1.491 -5.494 -2.144 433 HG22 VAL 61 1HG2 VAL 61 -2.776 -6.050 -1.072 434 HG23 VAL 61 2HG2 VAL 61 -2.517 -6.845 -2.624 435 H LEU 62 H LEU 62 -5.185 -2.627 -0.752 436 HA LEU 62 HA LEU 62 -4.266 -3.877 1.718 437 HB2 LEU 62 1HB LEU 62 -4.565 -1.743 2.956 438 HB3 LEU 62 2HB LEU 62 -3.192 -1.758 1.852 439 HG LEU 62 HG LEU 62 -5.806 -0.555 1.016 440 HD11 LEU 62 1HD1 LEU 62 -3.904 0.475 3.015 441 HD12 LEU 62 2HD1 LEU 62 -5.612 0.841 2.773 442 HD13 LEU 62 3HD1 LEU 62 -4.393 1.609 1.756 443 HD21 LEU 62 3HD2 LEU 62 -3.210 0.594 0.247 444 HD22 LEU 62 1HD2 LEU 62 -4.646 0.272 -0.725 445 HD23 LEU 62 2HD2 LEU 62 -3.523 -1.036 -0.351 446 H ASP 63 H ASP 63 -5.940 -4.855 2.625 447 HA ASP 63 HA ASP 63 -8.633 -3.746 2.171 448 HB2 ASP 63 1HB ASP 63 -7.644 -6.577 2.299 449 HB3 ASP 63 2HB ASP 63 -9.320 -6.206 2.697 450 H GLU 64 H GLU 64 -6.958 -2.879 4.281 451 HA GLU 64 HA GLU 64 -7.293 -4.172 6.715 452 HB2 GLU 64 1HB GLU 64 -5.776 -2.321 6.535 453 HB3 GLU 64 2HB GLU 64 -7.076 -1.229 6.078 454 HG2 GLU 64 1HG GLU 64 -8.021 -1.327 8.270 455 HG3 GLU 64 2HG GLU 64 -6.898 -2.598 8.749 456 H ASN 65 H ASN 65 -9.124 -4.813 7.626 457 HA ASN 65 HA ASN 65 -11.233 -4.806 8.478 458 HB2 ASN 65 1HB ASN 65 -10.345 -2.397 9.135 459 HB3 ASN 65 2HB ASN 65 -11.566 -1.880 7.976 460 HD21 ASN 65 1HD2 ASN 65 -13.726 -3.087 8.301 461 HD22 ASN 65 2HD2 ASN 65 -14.290 -3.153 9.932 462 H GLU 66 H GLU 66 -10.907 -5.411 5.772 463 HA GLU 66 HA GLU 66 -13.434 -4.389 4.653 464 HB2 GLU 66 1HB GLU 66 -11.317 -3.582 3.496 465 HB3 GLU 66 2HB GLU 66 -11.066 -5.248 2.996 466 HG2 GLU 66 1HG GLU 66 -12.104 -4.245 1.173 467 HG3 GLU 66 2HG GLU 66 -13.400 -5.121 1.985 468 H GLN 67 H GLN 67 -14.655 -5.859 3.383 469 HA GLN 67 HA GLN 67 -15.002 -8.378 4.395 470 HB2 GLN 67 1HB GLN 67 -16.430 -7.007 2.703 471 HB3 GLN 67 2HB GLN 67 -15.507 -7.872 1.481 472 HG2 GLN 67 1HG GLN 67 -16.280 -9.993 2.358 473 HG3 GLN 67 2HG GLN 67 -17.151 -9.163 3.647 474 HE21 GLN 67 1HE2 GLN 67 -18.517 -7.242 2.574 475 HE22 GLN 67 2HE2 GLN 67 -19.573 -7.786 1.320 476 HA PRO 68 HA PRO 68 -11.578 -10.766 2.975 477 HB2 PRO 68 1HB PRO 68 -12.641 -13.236 3.355 478 HB3 PRO 68 2HB PRO 68 -12.084 -12.215 4.686 479 HG2 PRO 68 1HG PRO 68 -14.866 -12.651 3.670 480 HG3 PRO 68 2HG PRO 68 -14.285 -12.573 5.343 481 HD2 PRO 68 1HD PRO 68 -15.503 -10.484 4.124 482 HD3 PRO 68 2HD PRO 68 -14.239 -10.268 5.352 483 H ASP 69 H ASP 69 -11.135 -12.613 1.442 484 HA ASP 69 HA ASP 69 -12.976 -12.479 -0.857 485 HB2 ASP 69 1HB ASP 69 -9.999 -12.341 -0.685 486 HB3 ASP 69 2HB ASP 69 -10.716 -13.119 -2.094 487 HA PRO 70 HA PRO 70 -13.398 -16.848 -0.637 488 HB2 PRO 70 1HB PRO 70 -13.972 -17.390 -3.234 489 HB3 PRO 70 2HB PRO 70 -15.121 -16.614 -2.138 490 HG2 PRO 70 1HG PRO 70 -13.334 -15.376 -4.196 491 HG3 PRO 70 2HG PRO 70 -15.032 -15.019 -3.828 492 HD2 PRO 70 1HD PRO 70 -12.993 -13.478 -2.935 493 HD3 PRO 70 2HD PRO 70 -14.493 -13.705 -2.013 494 H SER 71 H SER 71 -11.671 -18.105 -0.310 495 HA SER 71 HA SER 71 -9.421 -18.048 -2.144 496 HB2 SER 71 1HB SER 71 -9.043 -18.071 0.306 497 HB3 SER 71 2HB SER 71 -9.805 -19.659 0.392 498 HG SER 71 HG SER 71 -7.395 -19.510 0.211 499 H GLY 72 H GLY 72 -8.574 -19.903 -3.190 500 HA2 GLY 72 1HA GLY 72 -10.606 -21.637 -4.243 501 HA3 GLY 72 2HA GLY 72 -8.899 -21.654 -4.662 502 H LYS 73 H LYS 73 -7.766 -23.362 -4.033 503 HA LYS 73 HA LYS 73 -8.151 -24.641 -1.509 504 HB2 LYS 73 1HB LYS 73 -10.049 -25.534 -2.956 505 HB3 LYS 73 2HB LYS 73 -8.810 -26.329 -3.919 506 HG2 LYS 73 1HG LYS 73 -8.827 -26.767 -0.978 507 HG3 LYS 73 2HG LYS 73 -10.037 -27.583 -1.970 508 HD2 LYS 73 1HD LYS 73 -8.156 -28.422 -3.404 509 HD3 LYS 73 2HD LYS 73 -7.038 -27.771 -2.204 510 HE2 LYS 73 1HE LYS 73 -7.243 -29.980 -1.546 511 HE3 LYS 73 2HE LYS 73 -8.426 -29.169 -0.520 512 HZ1 LYS 73 3HZ LYS 73 -9.963 -30.514 -1.335 513 HZ2 LYS 73 1HZ LYS 73 -8.844 -31.235 -2.380 514 HZ3 LYS 73 2HZ LYS 73 -9.717 -29.876 -2.882 515 H GLU 74 H GLU 74 -6.374 -25.793 -0.916 516 HA GLU 74 HA GLU 74 -4.243 -26.025 -2.934 517 HB2 GLU 74 1HB GLU 74 -2.651 -25.890 -1.092 518 HB3 GLU 74 2HB GLU 74 -3.725 -24.499 -1.083 519 HG2 GLU 74 1HG GLU 74 -5.093 -26.035 0.584 520 HG3 GLU 74 2HG GLU 74 -3.496 -26.735 0.845 521 H SER 75 H SER 75 -3.026 -27.908 -3.073 522 HA SER 75 HA SER 75 -3.848 -30.187 -1.431 523 HB2 SER 75 1HB SER 75 -4.037 -30.006 -4.428 524 HB3 SER 75 2HB SER 75 -3.814 -31.562 -3.629 525 HG SER 75 HG SER 75 -5.959 -29.738 -3.323 526 H GLY 76 H GLY 76 -2.301 -31.834 -1.251 527 HA2 GLY 76 1HA GLY 76 0.395 -31.014 -2.125 528 HA3 GLY 76 2HA GLY 76 0.053 -31.973 -0.692 529 HA PRO 77 HA PRO 77 1.421 -34.911 -3.965 530 HB2 PRO 77 1HB PRO 77 2.889 -36.448 -2.275 531 HB3 PRO 77 2HB PRO 77 3.527 -34.991 -3.048 532 HG2 PRO 77 1HG PRO 77 2.449 -35.348 -0.278 533 HG3 PRO 77 2HG PRO 77 3.883 -34.454 -0.814 534 HD2 PRO 77 1HD PRO 77 1.539 -33.232 -0.228 535 HD3 PRO 77 2HD PRO 77 2.649 -32.621 -1.471 536 H SER 78 H SER 78 1.320 -37.389 -3.848 537 HA SER 78 HA SER 78 -0.451 -38.543 -1.909 538 HB2 SER 78 1HB SER 78 -1.985 -37.268 -3.485 539 HB3 SER 78 2HB SER 78 -1.489 -38.400 -4.743 540 HG SER 78 HG SER 78 -2.422 -40.053 -3.623 541 H SER 79 H SER 79 -0.549 -40.802 -2.039 542 HA SER 79 HA SER 79 0.509 -42.817 -2.319 543 HB2 SER 79 1HB SER 79 0.218 -43.750 -4.523 544 HB3 SER 79 2HB SER 79 -1.160 -42.701 -4.191 545 HG SER 79 HG SER 79 1.124 -42.060 -5.751 546 H GLY 80 H GLY 80 2.379 -40.813 -1.889 547 HA2 GLY 80 1HA GLY 80 4.781 -41.922 -2.435 548 HA3 GLY 80 2HA GLY 80 4.456 -40.997 -3.893 Start of MODEL 16 1 H1 GLY 1 H GLY 1 21.024 -11.198 12.709 2 HA2 GLY 1 1HA GLY 1 19.283 -11.943 10.852 3 HA3 GLY 1 2HA GLY 1 18.296 -12.148 12.291 4 H SER 2 H SER 2 18.437 -10.209 9.867 5 HA SER 2 HA SER 2 18.760 -7.635 11.112 6 HB2 SER 2 1HB SER 2 17.861 -8.548 8.386 7 HB3 SER 2 2HB SER 2 17.743 -6.856 8.870 8 HG SER 2 HG SER 2 19.869 -6.677 8.833 9 H SER 3 H SER 3 17.290 -6.647 12.310 10 HA SER 3 HA SER 3 14.592 -7.655 12.465 11 HB2 SER 3 1HB SER 3 14.330 -5.858 14.206 12 HB3 SER 3 2HB SER 3 15.637 -6.996 14.531 13 HG SER 3 HG SER 3 17.109 -5.477 14.014 14 H GLY 4 H GLY 4 16.065 -4.502 11.677 15 HA2 GLY 4 1HA GLY 4 15.399 -3.074 9.935 16 HA3 GLY 4 2HA GLY 4 13.935 -4.028 9.742 17 H SER 5 H SER 5 12.465 -2.384 9.804 18 HA SER 5 HA SER 5 12.525 -0.228 11.618 19 HB2 SER 5 1HB SER 5 10.091 -1.389 10.244 20 HB3 SER 5 2HB SER 5 10.268 0.248 10.876 21 HG SER 5 HG SER 5 12.251 0.051 9.283 22 H SER 6 H SER 6 10.399 0.119 13.025 23 HA SER 6 HA SER 6 10.543 -1.915 15.080 24 HB2 SER 6 1HB SER 6 9.159 0.770 14.952 25 HB3 SER 6 2HB SER 6 9.064 -0.305 16.347 26 HG SER 6 HG SER 6 11.558 -0.198 15.977 27 H GLY 7 H GLY 7 9.338 -2.848 12.726 28 HA2 GLY 7 1HA GLY 7 7.574 -4.393 12.494 29 HA3 GLY 7 2HA GLY 7 6.719 -3.578 13.795 30 H ALA 8 H ALA 8 7.669 -3.289 10.402 31 HA ALA 8 HA ALA 8 5.648 -1.225 9.977 32 HB1 ALA 8 3HB ALA 8 6.918 -0.528 8.283 33 HB2 ALA 8 1HB ALA 8 8.146 -1.643 8.884 34 HB3 ALA 8 2HB ALA 8 7.045 -2.150 7.603 35 H THR 9 H THR 9 4.683 -1.600 7.548 36 HA THR 9 HA THR 9 3.371 -4.239 7.652 37 HB THR 9 HB THR 9 2.191 -1.628 6.683 38 HG1 THR 9 1HG THR 9 2.073 -3.046 9.094 39 HG21 THR 9 3HG2 THR 9 0.408 -2.754 5.877 40 HG22 THR 9 1HG2 THR 9 0.463 -3.965 7.158 41 HG23 THR 9 2HG2 THR 9 1.544 -4.099 5.771 42 H SER 10 H SER 10 3.332 -5.451 5.841 43 HA SER 10 HA SER 10 4.691 -4.356 3.479 44 HB2 SER 10 1HB SER 10 5.168 -6.654 2.858 45 HB3 SER 10 2HB SER 10 5.653 -6.399 4.534 46 HG SER 10 HG SER 10 4.473 -8.352 4.234 47 H TYR 11 H TYR 11 3.716 -4.235 1.532 48 HA TYR 11 HA TYR 11 0.936 -5.200 1.361 49 HB2 TYR 11 1HB TYR 11 2.191 -2.747 0.115 50 HB3 TYR 11 2HB TYR 11 0.567 -3.321 -0.247 51 HD1 TYR 11 2HD TYR 11 2.643 -2.497 2.756 52 HD2 TYR 11 1HD TYR 11 -1.167 -2.301 0.873 53 HE1 TYR 11 2HE TYR 11 1.771 -1.215 4.666 54 HE2 TYR 11 1HE TYR 11 -2.049 -1.018 2.777 55 HH TYR 11 HH TYR 11 -1.366 -0.830 5.344 56 H MET 12 H MET 12 0.216 -5.417 -1.005 57 HA MET 12 HA MET 12 2.367 -6.744 -2.522 58 HB2 MET 12 1HB MET 12 0.983 -8.510 -1.977 59 HB3 MET 12 2HB MET 12 -0.469 -7.518 -1.998 60 HG2 MET 12 1HG MET 12 -0.418 -9.129 -3.835 61 HG3 MET 12 2HG MET 12 -0.444 -7.464 -4.410 62 HE1 MET 12 3HE MET 12 3.072 -10.413 -4.682 63 HE2 MET 12 1HE MET 12 2.414 -9.925 -3.119 64 HE3 MET 12 2HE MET 12 1.407 -10.814 -4.261 65 H THR 13 H THR 13 2.821 -5.904 -4.443 66 HA THR 13 HA THR 13 1.363 -3.686 -5.479 67 HB THR 13 HB THR 13 2.979 -3.584 -7.221 68 HG1 THR 13 1HG THR 13 3.733 -5.357 -8.080 69 HG21 THR 13 3HG2 THR 13 5.154 -4.223 -5.825 70 HG22 THR 13 1HG2 THR 13 3.971 -4.334 -4.523 71 HG23 THR 13 2HG2 THR 13 4.158 -2.826 -5.418 72 H CYS 14 H CYS 14 -0.311 -3.668 -6.828 73 HA CYS 14 HA CYS 14 -1.133 -6.187 -8.072 74 HB2 CYS 14 1HB CYS 14 -2.705 -4.774 -6.634 75 HB3 CYS 14 2HB CYS 14 -2.731 -3.632 -7.972 76 HG CYS 14 HG CYS 14 -3.367 -6.641 -9.124 77 H SER 15 H SER 15 0.698 -3.609 -8.886 78 HA SER 15 HA SER 15 0.445 -4.136 -11.702 79 HB2 SER 15 1HB SER 15 -0.610 -1.612 -10.500 80 HB3 SER 15 2HB SER 15 0.208 -1.520 -12.059 81 HG SER 15 HG SER 15 -2.262 -2.492 -11.446 82 H ALA 16 H ALA 16 2.171 -3.251 -12.938 83 HA ALA 16 HA ALA 16 4.597 -2.962 -11.436 84 HB1 ALA 16 3HB ALA 16 4.828 -4.178 -13.422 85 HB2 ALA 16 1HB ALA 16 3.956 -2.972 -14.368 86 HB3 ALA 16 2HB ALA 16 5.579 -2.622 -13.771 87 H TYR 17 H TYR 17 5.171 -1.113 -10.512 88 HA TYR 17 HA TYR 17 4.267 1.423 -11.647 89 HB2 TYR 17 1HB TYR 17 3.852 1.451 -9.363 90 HB3 TYR 17 2HB TYR 17 5.328 0.572 -8.979 91 HD1 TYR 17 2HD TYR 17 7.544 1.792 -9.205 92 HD2 TYR 17 1HD TYR 17 3.793 3.798 -9.282 93 HE1 TYR 17 2HE TYR 17 8.674 3.912 -8.676 94 HE2 TYR 17 1HE TYR 17 4.913 5.924 -8.754 95 HH TYR 17 HH TYR 17 7.831 6.201 -7.491 96 H GLN 18 H GLN 18 5.650 3.067 -12.269 97 HA GLN 18 HA GLN 18 8.397 2.208 -12.842 98 HB2 GLN 18 1HB GLN 18 6.752 3.018 -14.665 99 HB3 GLN 18 2HB GLN 18 7.065 4.627 -14.028 100 HG2 GLN 18 1HG GLN 18 8.494 4.259 -15.900 101 HG3 GLN 18 2HG GLN 18 9.480 4.267 -14.438 102 HE21 GLN 18 1HE2 GLN 18 10.547 3.200 -16.646 103 HE22 GLN 18 2HE2 GLN 18 10.628 1.479 -16.527 104 H LYS 19 H LYS 19 10.165 3.501 -12.344 105 HA LYS 19 HA LYS 19 9.760 5.271 -10.079 106 HB2 LYS 19 1HB LYS 19 12.153 5.179 -9.796 107 HB3 LYS 19 2HB LYS 19 11.554 3.550 -10.076 108 HG2 LYS 19 1HG LYS 19 12.360 3.551 -12.313 109 HG3 LYS 19 2HG LYS 19 12.732 5.275 -12.239 110 HD2 LYS 19 1HD LYS 19 14.014 3.360 -10.327 111 HD3 LYS 19 2HD LYS 19 14.649 3.550 -11.962 112 HE2 LYS 19 1HE LYS 19 14.119 5.987 -10.331 113 HE3 LYS 19 2HE LYS 19 15.545 5.017 -9.966 114 HZ1 LYS 19 3HZ LYS 19 16.569 5.685 -11.824 115 HZ2 LYS 19 1HZ LYS 19 15.453 6.957 -11.819 116 HZ3 LYS 19 2HZ LYS 19 15.171 5.589 -12.772 117 H VAL 20 H VAL 20 10.068 7.438 -10.055 118 HA VAL 20 HA VAL 20 10.296 8.765 -12.635 119 HB VAL 20 HB VAL 20 9.755 10.832 -11.352 120 HG11 VAL 20 1HG1 VAL 20 7.902 9.844 -12.354 121 HG12 VAL 20 2HG1 VAL 20 7.949 8.441 -11.283 122 HG13 VAL 20 3HG1 VAL 20 7.412 10.005 -10.668 123 HG21 VAL 20 3HG2 VAL 20 9.357 8.956 -9.025 124 HG22 VAL 20 1HG2 VAL 20 10.723 10.057 -9.201 125 HG23 VAL 20 2HG2 VAL 20 9.088 10.699 -9.044 126 H GLN 21 H GLN 21 12.024 8.527 -9.575 127 HA GLN 21 HA GLN 21 14.374 9.689 -10.875 128 HB2 GLN 21 1HB GLN 21 13.567 10.499 -8.085 129 HB3 GLN 21 2HB GLN 21 14.850 11.178 -9.077 130 HG2 GLN 21 1HG GLN 21 12.813 11.712 -10.683 131 HG3 GLN 21 2HG GLN 21 11.928 11.654 -9.159 132 HE21 GLN 21 1HE2 GLN 21 14.683 13.151 -10.770 133 HE22 GLN 21 2HE2 GLN 21 14.639 14.625 -9.872 134 H ASP 22 H ASP 22 16.386 9.157 -9.820 135 HA ASP 22 HA ASP 22 16.827 6.559 -9.262 136 HB2 ASP 22 1HB ASP 22 18.233 8.941 -8.045 137 HB3 ASP 22 2HB ASP 22 18.833 7.289 -7.930 138 H SER 23 H SER 23 15.632 8.963 -7.005 139 HA SER 23 HA SER 23 15.940 7.546 -4.617 140 HB2 SER 23 1HB SER 23 13.977 9.652 -5.501 141 HB3 SER 23 2HB SER 23 13.902 8.948 -3.886 142 HG SER 23 HG SER 23 15.846 9.810 -3.404 143 H GLU 24 H GLU 24 13.228 7.601 -6.909 144 HA GLU 24 HA GLU 24 11.750 5.633 -5.405 145 HB2 GLU 24 1HB GLU 24 11.237 6.680 -8.194 146 HB3 GLU 24 2HB GLU 24 10.105 5.786 -7.189 147 HG2 GLU 24 1HG GLU 24 9.372 7.926 -6.879 148 HG3 GLU 24 2HG GLU 24 10.476 7.750 -5.517 149 H ILE 25 H ILE 25 11.022 3.595 -6.387 150 HA ILE 25 HA ILE 25 12.935 2.464 -8.308 151 HB ILE 25 HB ILE 25 13.848 1.542 -6.399 152 HG12 ILE 25 1HG1 ILE 25 12.812 -0.169 -8.076 153 HG13 ILE 25 2HG1 ILE 25 13.445 -0.745 -6.537 154 HG21 ILE 25 1HG2 ILE 25 11.182 1.976 -5.296 155 HG22 ILE 25 2HG2 ILE 25 11.948 0.494 -4.728 156 HG23 ILE 25 3HG2 ILE 25 12.759 2.045 -4.512 157 HD11 ILE 25 3HD1 ILE 25 10.644 -0.009 -6.381 158 HD12 ILE 25 1HD1 ILE 25 10.957 -1.269 -7.574 159 HD13 ILE 25 2HD1 ILE 25 11.457 -1.498 -5.898 160 H SER 26 H SER 26 12.092 1.036 -9.756 161 HA SER 26 HA SER 26 9.182 0.792 -9.774 162 HB2 SER 26 1HB SER 26 9.472 0.074 -12.119 163 HB3 SER 26 2HB SER 26 10.252 1.626 -11.814 164 HG SER 26 HG SER 26 11.770 -0.698 -11.502 165 H PHE 27 H PHE 27 8.102 -1.095 -9.588 166 HA PHE 27 HA PHE 27 9.681 -3.572 -9.412 167 HB2 PHE 27 1HB PHE 27 7.928 -4.249 -7.629 168 HB3 PHE 27 2HB PHE 27 9.232 -3.165 -7.155 169 HD1 PHE 27 1HD PHE 27 5.693 -3.199 -8.272 170 HD2 PHE 27 2HD PHE 27 8.760 -1.103 -6.193 171 HE1 PHE 27 1HE PHE 27 4.035 -1.559 -7.487 172 HE2 PHE 27 2HE PHE 27 7.107 0.540 -5.404 173 HZ PHE 27 HZ PHE 27 4.741 0.313 -6.050 174 HA PRO 28 HA PRO 28 6.766 -5.320 -12.193 175 HB2 PRO 28 1HB PRO 28 6.852 -7.926 -11.437 176 HB3 PRO 28 2HB PRO 28 8.167 -7.137 -12.315 177 HG2 PRO 28 1HG PRO 28 7.914 -7.695 -9.385 178 HG3 PRO 28 2HG PRO 28 9.323 -7.888 -10.443 179 HD2 PRO 28 1HD PRO 28 9.018 -5.760 -8.797 180 HD3 PRO 28 2HD PRO 28 9.850 -5.645 -10.361 181 H ALA 29 H ALA 29 4.751 -6.620 -12.287 182 HA ALA 29 HA ALA 29 3.035 -5.935 -10.042 183 HB1 ALA 29 3HB ALA 29 2.320 -7.126 -12.718 184 HB2 ALA 29 1HB ALA 29 1.191 -6.498 -11.518 185 HB3 ALA 29 2HB ALA 29 2.315 -5.406 -12.328 186 H GLY 30 H GLY 30 3.278 -7.374 -8.404 187 HA2 GLY 30 1HA GLY 30 2.047 -9.525 -7.821 188 HA3 GLY 30 2HA GLY 30 3.055 -10.240 -9.071 189 H VAL 31 H VAL 31 4.109 -7.795 -6.770 190 HA VAL 31 HA VAL 31 5.720 -9.835 -5.390 191 HB VAL 31 HB VAL 31 7.531 -8.035 -5.224 192 HG11 VAL 31 1HG1 VAL 31 7.872 -10.017 -6.533 193 HG12 VAL 31 2HG1 VAL 31 6.900 -9.367 -7.854 194 HG13 VAL 31 3HG1 VAL 31 8.454 -8.633 -7.457 195 HG21 VAL 31 3HG2 VAL 31 6.658 -6.051 -5.958 196 HG22 VAL 31 1HG2 VAL 31 7.413 -6.619 -7.447 197 HG23 VAL 31 2HG2 VAL 31 5.677 -6.817 -7.208 198 H GLU 32 H GLU 32 6.745 -8.842 -3.350 199 HA GLU 32 HA GLU 32 4.699 -7.199 -2.011 200 HB2 GLU 32 1HB GLU 32 4.918 -9.531 -1.170 201 HB3 GLU 32 2HB GLU 32 6.592 -9.191 -0.753 202 HG2 GLU 32 1HG GLU 32 5.610 -7.264 0.653 203 HG3 GLU 32 2HG GLU 32 4.089 -8.140 0.494 204 H VAL 33 H VAL 33 5.374 -5.610 -0.522 205 HA VAL 33 HA VAL 33 8.225 -4.939 -0.497 206 HB VAL 33 HB VAL 33 7.540 -2.493 -0.814 207 HG11 VAL 33 1HG1 VAL 33 7.748 -4.602 -2.891 208 HG12 VAL 33 2HG1 VAL 33 7.281 -2.981 -3.411 209 HG13 VAL 33 3HG1 VAL 33 8.805 -3.231 -2.558 210 HG21 VAL 33 3HG2 VAL 33 5.455 -1.931 -1.409 211 HG22 VAL 33 1HG2 VAL 33 5.310 -3.291 -2.522 212 HG23 VAL 33 2HG2 VAL 33 5.002 -3.523 -0.801 213 H GLN 34 H GLN 34 8.650 -3.094 1.066 214 HA GLN 34 HA GLN 34 6.890 -3.400 3.408 215 HB2 GLN 34 1HB GLN 34 9.327 -4.274 3.457 216 HB3 GLN 34 2HB GLN 34 9.775 -2.577 3.571 217 HG2 GLN 34 1HG GLN 34 7.748 -3.651 5.463 218 HG3 GLN 34 2HG GLN 34 9.448 -4.048 5.715 219 HE21 GLN 34 1HE2 GLN 34 10.328 -2.776 7.165 220 HE22 GLN 34 2HE2 GLN 34 10.027 -1.087 7.365 221 H VAL 35 H VAL 35 5.810 -1.649 3.998 222 HA VAL 35 HA VAL 35 6.448 0.925 2.845 223 HB VAL 35 HB VAL 35 4.241 0.095 4.733 224 HG11 VAL 35 1HG1 VAL 35 4.256 2.319 5.181 225 HG12 VAL 35 2HG1 VAL 35 5.063 2.732 3.667 226 HG13 VAL 35 3HG1 VAL 35 3.336 2.374 3.679 227 HG21 VAL 35 3HG2 VAL 35 2.856 -0.124 2.905 228 HG22 VAL 35 1HG2 VAL 35 3.849 0.925 1.893 229 HG23 VAL 35 2HG2 VAL 35 4.383 -0.718 2.252 230 H LEU 36 H LEU 36 8.228 1.820 3.756 231 HA LEU 36 HA LEU 36 8.874 1.654 6.511 232 HB2 LEU 36 1HB LEU 36 9.816 3.621 4.428 233 HB3 LEU 36 2HB LEU 36 10.555 3.368 6.008 234 HG LEU 36 HG LEU 36 10.415 1.303 3.812 235 HD11 LEU 36 1HD1 LEU 36 13.011 1.798 4.040 236 HD12 LEU 36 2HD1 LEU 36 12.406 3.388 4.504 237 HD13 LEU 36 3HD1 LEU 36 11.975 2.704 2.936 238 HD21 LEU 36 3HD2 LEU 36 10.774 -0.089 5.526 239 HD22 LEU 36 1HD2 LEU 36 11.169 1.226 6.634 240 HD23 LEU 36 2HD2 LEU 36 12.403 0.587 5.548 241 H GLU 37 H GLU 37 7.796 4.450 4.568 242 HA GLU 37 HA GLU 37 6.392 5.454 6.945 243 HB2 GLU 37 1HB GLU 37 8.692 6.567 6.413 244 HB3 GLU 37 2HB GLU 37 7.811 7.357 5.113 245 HG2 GLU 37 1HG GLU 37 6.395 8.482 6.608 246 HG3 GLU 37 2HG GLU 37 6.872 7.455 7.959 247 H LYS 38 H LYS 38 4.720 7.051 6.442 248 HA LYS 38 HA LYS 38 3.696 6.809 3.692 249 HB2 LYS 38 1HB LYS 38 2.135 6.587 6.269 250 HB3 LYS 38 2HB LYS 38 1.393 6.760 4.684 251 HG2 LYS 38 1HG LYS 38 2.499 4.660 3.985 252 HG3 LYS 38 2HG LYS 38 3.109 4.475 5.631 253 HD2 LYS 38 1HD LYS 38 0.839 4.381 6.488 254 HD3 LYS 38 2HD LYS 38 0.194 4.656 4.868 255 HE2 LYS 38 1HE LYS 38 0.733 2.539 4.148 256 HE3 LYS 38 2HE LYS 38 2.037 2.357 5.320 257 HZ1 LYS 38 3HZ LYS 38 -0.631 1.501 5.527 258 HZ2 LYS 38 1HZ LYS 38 -0.339 2.637 6.746 259 HZ3 LYS 38 2HZ LYS 38 0.640 1.263 6.619 260 H GLN 39 H GLN 39 2.894 8.636 2.783 261 HA GLN 39 HA GLN 39 2.996 11.074 4.428 262 HB2 GLN 39 1HB GLN 39 3.648 10.521 1.564 263 HB3 GLN 39 2HB GLN 39 3.094 12.128 2.015 264 HG2 GLN 39 1HG GLN 39 4.926 12.119 3.760 265 HG3 GLN 39 2HG GLN 39 5.550 10.683 2.952 266 HE21 GLN 39 1HE2 GLN 39 6.421 13.603 3.287 267 HE22 GLN 39 2HE2 GLN 39 6.884 14.067 1.688 268 H GLU 40 H GLU 40 1.132 12.029 4.875 269 HA GLU 40 HA GLU 40 -1.365 11.203 4.350 270 HB2 GLU 40 1HB GLU 40 -2.165 13.480 4.716 271 HB3 GLU 40 2HB GLU 40 -0.854 13.096 5.822 272 HG2 GLU 40 1HG GLU 40 -0.230 15.183 5.171 273 HG3 GLU 40 2HG GLU 40 0.617 14.219 3.962 274 H SER 41 H SER 41 0.611 13.153 2.181 275 HA SER 41 HA SER 41 -1.170 13.968 0.286 276 HB2 SER 41 1HB SER 41 1.661 12.992 0.068 277 HB3 SER 41 2HB SER 41 0.768 13.441 -1.384 278 HG SER 41 HG SER 41 0.796 15.194 0.805 279 H GLY 42 H GLY 42 0.555 10.841 0.178 280 HA2 GLY 42 1HA GLY 42 -1.454 9.112 -0.300 281 HA3 GLY 42 2HA GLY 42 -1.244 9.867 -1.874 282 H TRP 43 H TRP 43 1.647 10.194 -1.517 283 HA TRP 43 HA TRP 43 2.421 7.583 -2.452 284 HB2 TRP 43 1HB TRP 43 3.942 10.167 -2.089 285 HB3 TRP 43 2HB TRP 43 4.689 8.686 -2.682 286 HD1 TRP 43 HD TRP 43 1.762 11.039 -3.664 287 HE1 TRP 43 1HE TRP 43 1.592 11.058 -6.233 288 HE3 TRP 43 3HE TRP 43 5.398 7.611 -4.743 289 HZ2 TRP 43 2HZ TRP 43 2.835 9.787 -8.425 290 HZ3 TRP 43 3HZ TRP 43 5.846 7.069 -7.101 291 HH2 TRP 43 HH TRP 43 4.589 8.135 -8.902 292 H TRP 44 H TRP 44 3.434 6.023 -1.349 293 HA TRP 44 HA TRP 44 4.360 6.654 1.377 294 HB2 TRP 44 1HB TRP 44 3.327 3.996 0.367 295 HB3 TRP 44 2HB TRP 44 3.770 4.391 2.026 296 HD1 TRP 44 HD TRP 44 2.133 7.375 1.462 297 HE1 TRP 44 1HE TRP 44 -0.401 7.300 1.905 298 HE3 TRP 44 3HE TRP 44 1.432 2.313 1.314 299 HZ2 TRP 44 2HZ TRP 44 -2.429 5.353 2.159 300 HZ3 TRP 44 3HZ TRP 44 -0.836 1.425 1.667 301 HH2 TRP 44 HH TRP 44 -2.725 2.916 2.081 302 H TYR 45 H TYR 45 6.321 5.860 2.065 303 HA TYR 45 HA TYR 45 8.216 5.235 -0.006 304 HB2 TYR 45 1HB TYR 45 8.622 6.684 2.075 305 HB3 TYR 45 2HB TYR 45 8.769 5.167 2.955 306 HD1 TYR 45 1HD TYR 45 9.983 6.128 -0.441 307 HD2 TYR 45 2HD TYR 45 11.009 4.940 3.513 308 HE1 TYR 45 1HE TYR 45 12.346 5.977 -1.107 309 HE2 TYR 45 2HE TYR 45 13.375 4.787 2.859 310 HH TYR 45 HH TYR 45 14.457 5.749 -0.364 311 H VAL 46 H VAL 46 8.285 3.243 -0.814 312 HA VAL 46 HA VAL 46 7.863 0.954 0.976 313 HB VAL 46 HB VAL 46 7.847 -0.301 -1.303 314 HG11 VAL 46 1HG1 VAL 46 5.885 -0.198 0.023 315 HG12 VAL 46 2HG1 VAL 46 5.650 1.514 -0.335 316 HG13 VAL 46 3HG1 VAL 46 5.419 0.308 -1.601 317 HG21 VAL 46 3HG2 VAL 46 7.345 0.925 -3.235 318 HG22 VAL 46 1HG2 VAL 46 6.995 2.392 -2.320 319 HG23 VAL 46 2HG2 VAL 46 8.658 1.826 -2.478 320 H ARG 47 H ARG 47 9.200 -1.011 0.471 321 HA ARG 47 HA ARG 47 11.934 -0.290 -0.339 322 HB2 ARG 47 1HB ARG 47 12.005 -0.320 2.048 323 HB3 ARG 47 2HB ARG 47 11.080 -1.814 2.119 324 HG2 ARG 47 1HG ARG 47 13.131 -2.738 0.740 325 HG3 ARG 47 2HG ARG 47 13.953 -1.384 1.517 326 HD2 ARG 47 1HD ARG 47 12.825 -2.313 3.679 327 HD3 ARG 47 2HD ARG 47 12.699 -3.802 2.743 328 HE ARG 47 HE ARG 47 15.317 -2.970 2.502 329 HH11 ARG 47 1HH1 ARG 47 13.167 -3.882 5.084 330 HH12 ARG 47 2HH1 ARG 47 14.432 -4.498 6.095 331 HH21 ARG 47 1HH2 ARG 47 16.991 -3.777 3.824 332 HH22 ARG 47 2HH2 ARG 47 16.607 -4.437 5.378 333 H PHE 48 H PHE 48 12.626 -1.538 -1.934 334 HA PHE 48 HA PHE 48 11.435 -4.214 -2.244 335 HB2 PHE 48 1HB PHE 48 11.071 -2.449 -4.065 336 HB3 PHE 48 2HB PHE 48 12.780 -2.645 -4.438 337 HD1 PHE 48 1HD PHE 48 13.588 -5.027 -4.970 338 HD2 PHE 48 2HD PHE 48 9.499 -3.849 -5.026 339 HE1 PHE 48 1HE PHE 48 13.055 -6.958 -6.400 340 HE2 PHE 48 2HE PHE 48 8.959 -5.778 -6.455 341 HZ PHE 48 HZ PHE 48 10.738 -7.335 -7.143 342 H GLY 49 H GLY 49 12.900 -5.359 -0.994 343 HA2 GLY 49 1HA GLY 49 14.781 -6.654 -0.701 344 HA3 GLY 49 2HA GLY 49 15.304 -6.146 -2.300 345 H GLU 50 H GLU 50 17.010 -4.835 -2.437 346 HA GLU 50 HA GLU 50 18.092 -3.748 0.057 347 HB2 GLU 50 1HB GLU 50 19.493 -5.206 -1.457 348 HB3 GLU 50 2HB GLU 50 19.453 -3.901 -2.633 349 HG2 GLU 50 1HG GLU 50 21.456 -3.532 -1.575 350 HG3 GLU 50 2HG GLU 50 20.374 -2.457 -0.692 351 H LEU 51 H LEU 51 16.285 -2.755 -2.567 352 HA LEU 51 HA LEU 51 17.300 -0.002 -2.455 353 HB2 LEU 51 1HB LEU 51 15.346 -1.213 -4.403 354 HB3 LEU 51 2HB LEU 51 16.076 0.388 -4.501 355 HG LEU 51 HG LEU 51 18.315 -0.868 -4.665 356 HD11 LEU 51 1HD1 LEU 51 18.044 -3.115 -5.749 357 HD12 LEU 51 2HD1 LEU 51 16.362 -3.089 -5.221 358 HD13 LEU 51 3HD1 LEU 51 17.661 -3.059 -4.029 359 HD21 LEU 51 3HD2 LEU 51 16.451 -1.249 -6.991 360 HD22 LEU 51 1HD2 LEU 51 18.178 -0.893 -7.012 361 HD23 LEU 51 2HD2 LEU 51 17.030 0.342 -6.494 362 H GLU 52 H GLU 52 15.588 1.724 -2.606 363 HA GLU 52 HA GLU 52 13.036 1.041 -1.397 364 HB2 GLU 52 1HB GLU 52 15.009 2.898 -0.056 365 HB3 GLU 52 2HB GLU 52 13.322 2.728 0.410 366 HG2 GLU 52 1HG GLU 52 13.636 0.567 1.218 367 HG3 GLU 52 2HG GLU 52 15.158 0.366 0.353 368 H GLY 53 H GLY 53 11.484 2.203 -2.327 369 HA2 GLY 53 1HA GLY 53 12.127 4.906 -3.298 370 HA3 GLY 53 2HA GLY 53 11.390 3.746 -4.393 371 H TRP 54 H TRP 54 10.062 6.018 -4.100 372 HA TRP 54 HA TRP 54 7.998 5.570 -2.063 373 HB2 TRP 54 1HB TRP 54 8.693 7.986 -3.738 374 HB3 TRP 54 2HB TRP 54 7.256 7.898 -2.722 375 HD1 TRP 54 HD TRP 54 11.084 8.074 -2.477 376 HE1 TRP 54 1HE TRP 54 11.713 8.847 -0.105 377 HE3 TRP 54 3HE TRP 54 6.443 7.983 -0.335 378 HZ2 TRP 54 2HZ TRP 54 10.415 9.351 2.350 379 HZ3 TRP 54 3HZ TRP 54 6.223 8.624 2.030 380 HH2 TRP 54 HH TRP 54 8.169 9.293 3.343 381 H ALA 55 H ALA 55 6.371 4.338 -2.740 382 HA ALA 55 HA ALA 55 5.381 4.712 -5.491 383 HB1 ALA 55 3HB ALA 55 6.369 2.444 -4.773 384 HB2 ALA 55 1HB ALA 55 4.863 2.243 -3.877 385 HB3 ALA 55 2HB ALA 55 4.826 2.458 -5.628 386 HA PRO 56 HA PRO 56 1.561 6.140 -3.839 387 HB2 PRO 56 1HB PRO 56 -0.089 5.488 -5.894 388 HB3 PRO 56 2HB PRO 56 1.062 6.827 -5.974 389 HG2 PRO 56 1HG PRO 56 1.307 4.051 -7.066 390 HG3 PRO 56 2HG PRO 56 1.747 5.593 -7.822 391 HD2 PRO 56 1HD PRO 56 3.575 3.963 -6.668 392 HD3 PRO 56 2HD PRO 56 3.742 5.731 -6.676 393 H SER 57 H SER 57 -0.077 5.372 -2.607 394 HA SER 57 HA SER 57 -0.183 2.642 -1.938 395 HB2 SER 57 1HB SER 57 -1.983 3.220 -0.470 396 HB3 SER 57 2HB SER 57 -0.868 4.587 -0.471 397 HG SER 57 HG SER 57 -2.756 5.557 -0.808 398 H HIS 58 H HIS 58 -1.648 4.404 -4.468 399 HA HIS 58 HA HIS 58 -4.002 2.911 -4.862 400 HB2 HIS 58 1HB HIS 58 -2.361 4.226 -7.031 401 HB3 HIS 58 2HB HIS 58 -4.093 3.902 -7.043 402 HD1 HIS 58 1HD HIS 58 -1.786 6.562 -6.502 403 HD2 HIS 58 2HD HIS 58 -5.419 5.455 -4.818 404 HE1 HIS 58 1HE HIS 58 -2.664 8.633 -5.377 405 HE2 HIS 58 2HE HIS 58 -4.822 7.916 -4.293 406 H TYR 59 H TYR 59 -0.683 2.423 -5.926 407 HA TYR 59 HA TYR 59 -1.336 0.191 -7.616 408 HB2 TYR 59 1HB TYR 59 1.276 1.334 -6.627 409 HB3 TYR 59 2HB TYR 59 1.192 -0.101 -7.642 410 HD1 TYR 59 1HD TYR 59 -0.555 3.207 -7.711 411 HD2 TYR 59 2HD TYR 59 1.852 0.384 -9.794 412 HE1 TYR 59 1HE TYR 59 -0.625 4.634 -9.714 413 HE2 TYR 59 2HE TYR 59 1.790 1.804 -11.802 414 HH TYR 59 HH TYR 59 1.008 3.664 -12.718 415 H LEU 60 H LEU 60 -0.261 0.667 -4.319 416 HA LEU 60 HA LEU 60 0.392 -2.078 -3.841 417 HB2 LEU 60 1HB LEU 60 -0.225 0.115 -1.867 418 HB3 LEU 60 2HB LEU 60 0.545 -1.428 -1.502 419 HG LEU 60 HG LEU 60 1.759 0.631 -3.336 420 HD11 LEU 60 1HD1 LEU 60 1.380 0.894 -0.585 421 HD12 LEU 60 2HD1 LEU 60 2.480 1.819 -1.607 422 HD13 LEU 60 3HD1 LEU 60 3.054 0.372 -0.779 423 HD21 LEU 60 3HD2 LEU 60 3.333 -1.367 -1.820 424 HD22 LEU 60 1HD2 LEU 60 3.588 -0.706 -3.435 425 HD23 LEU 60 2HD2 LEU 60 2.372 -1.957 -3.176 426 H VAL 61 H VAL 61 -0.774 -3.609 -2.660 427 HA VAL 61 HA VAL 61 -3.670 -3.274 -2.816 428 HB VAL 61 HB VAL 61 -1.992 -5.724 -2.263 429 HG11 VAL 61 1HG1 VAL 61 -4.605 -6.441 -3.009 430 HG12 VAL 61 2HG1 VAL 61 -3.824 -6.676 -1.444 431 HG13 VAL 61 3HG1 VAL 61 -4.766 -5.216 -1.751 432 HG21 VAL 61 3HG2 VAL 61 -3.711 -5.648 -4.630 433 HG22 VAL 61 1HG2 VAL 61 -2.414 -4.453 -4.645 434 HG23 VAL 61 2HG2 VAL 61 -2.033 -6.165 -4.462 435 H LEU 62 H LEU 62 -4.767 -2.627 -1.096 436 HA LEU 62 HA LEU 62 -3.583 -2.854 1.557 437 HB2 LEU 62 1HB LEU 62 -6.256 -1.632 1.066 438 HB3 LEU 62 2HB LEU 62 -5.016 -1.189 2.239 439 HG LEU 62 HG LEU 62 -4.732 -0.692 -0.718 440 HD11 LEU 62 1HD1 LEU 62 -5.736 1.203 1.401 441 HD12 LEU 62 2HD1 LEU 62 -6.709 0.484 0.119 442 HD13 LEU 62 3HD1 LEU 62 -5.407 1.602 -0.285 443 HD21 LEU 62 3HD2 LEU 62 -3.115 1.033 0.165 444 HD22 LEU 62 1HD2 LEU 62 -2.630 -0.651 0.370 445 HD23 LEU 62 2HD2 LEU 62 -3.275 0.253 1.740 446 H ASP 63 H ASP 63 -5.549 -3.113 3.284 447 HA ASP 63 HA ASP 63 -6.407 -5.852 2.915 448 HB2 ASP 63 1HB ASP 63 -6.400 -3.924 5.212 449 HB3 ASP 63 2HB ASP 63 -7.387 -5.381 5.292 450 H GLU 64 H GLU 64 -8.047 -5.882 1.425 451 HA GLU 64 HA GLU 64 -10.517 -4.481 2.212 452 HB2 GLU 64 1HB GLU 64 -11.074 -4.093 -0.069 453 HB3 GLU 64 2HB GLU 64 -9.414 -3.558 0.144 454 HG2 GLU 64 1HG GLU 64 -8.547 -5.329 -1.064 455 HG3 GLU 64 2HG GLU 64 -9.989 -6.317 -0.841 456 H ASN 65 H ASN 65 -12.507 -5.548 1.619 457 HA ASN 65 HA ASN 65 -12.723 -8.158 2.393 458 HB2 ASN 65 1HB ASN 65 -14.436 -6.372 0.728 459 HB3 ASN 65 2HB ASN 65 -14.849 -8.083 0.795 460 HD21 ASN 65 1HD2 ASN 65 -16.282 -5.756 1.818 461 HD22 ASN 65 2HD2 ASN 65 -16.498 -6.036 3.509 462 H GLU 66 H GLU 66 -11.348 -9.656 1.567 463 HA GLU 66 HA GLU 66 -11.877 -10.561 -1.140 464 HB2 GLU 66 1HB GLU 66 -9.990 -8.898 -1.288 465 HB3 GLU 66 2HB GLU 66 -9.041 -9.983 -0.281 466 HG2 GLU 66 1HG GLU 66 -8.351 -10.516 -2.418 467 HG3 GLU 66 2HG GLU 66 -9.558 -11.754 -2.072 468 H GLN 67 H GLN 67 -11.794 -12.728 -1.298 469 HA GLN 67 HA GLN 67 -11.767 -14.382 0.894 470 HB2 GLN 67 1HB GLN 67 -11.535 -16.244 -0.644 471 HB3 GLN 67 2HB GLN 67 -12.600 -15.029 -1.338 472 HG2 GLN 67 1HG GLN 67 -9.688 -15.081 -2.014 473 HG3 GLN 67 2HG GLN 67 -10.833 -16.139 -2.836 474 HE21 GLN 67 1HE2 GLN 67 -12.983 -14.702 -3.282 475 HE22 GLN 67 2HE2 GLN 67 -12.641 -13.293 -4.220 476 HA PRO 68 HA PRO 68 -7.581 -14.822 2.161 477 HB2 PRO 68 1HB PRO 68 -7.705 -17.278 3.311 478 HB3 PRO 68 2HB PRO 68 -8.409 -15.835 4.050 479 HG2 PRO 68 1HG PRO 68 -9.745 -17.995 2.465 480 HG3 PRO 68 2HG PRO 68 -10.290 -17.199 3.953 481 HD2 PRO 68 1HD PRO 68 -11.248 -16.533 1.509 482 HD3 PRO 68 2HD PRO 68 -11.081 -15.352 2.824 483 H ASP 69 H ASP 69 -5.676 -16.212 1.912 484 HA ASP 69 HA ASP 69 -5.786 -17.710 -0.617 485 HB2 ASP 69 1HB ASP 69 -3.220 -16.766 0.607 486 HB3 ASP 69 2HB ASP 69 -3.617 -17.027 -1.090 487 HA PRO 70 HA PRO 70 -4.814 -21.475 1.425 488 HB2 PRO 70 1HB PRO 70 -3.466 -22.763 -0.549 489 HB3 PRO 70 2HB PRO 70 -5.215 -22.512 -0.586 490 HG2 PRO 70 1HG PRO 70 -3.050 -20.969 -1.962 491 HG3 PRO 70 2HG PRO 70 -4.618 -21.504 -2.595 492 HD2 PRO 70 1HD PRO 70 -4.175 -18.969 -1.754 493 HD3 PRO 70 2HD PRO 70 -5.755 -19.764 -1.601 494 H SER 71 H SER 71 -2.452 -19.241 0.506 495 HA SER 71 HA SER 71 -0.067 -20.636 0.979 496 HB2 SER 71 1HB SER 71 -0.503 -18.220 0.043 497 HB3 SER 71 2HB SER 71 -0.332 -17.747 1.733 498 HG SER 71 HG SER 71 1.728 -18.651 1.738 499 H GLY 72 H GLY 72 1.310 -20.680 2.812 500 HA2 GLY 72 1HA GLY 72 0.119 -21.396 5.212 501 HA3 GLY 72 2HA GLY 72 1.801 -20.917 5.042 502 H LYS 73 H LYS 73 2.360 -18.696 5.318 503 HA LYS 73 HA LYS 73 2.277 -16.670 6.350 504 HB2 LYS 73 1HB LYS 73 0.184 -16.554 4.803 505 HB3 LYS 73 2HB LYS 73 -0.723 -16.753 6.297 506 HG2 LYS 73 1HG LYS 73 0.690 -14.765 7.147 507 HG3 LYS 73 2HG LYS 73 1.019 -14.482 5.436 508 HD2 LYS 73 1HD LYS 73 -1.799 -14.881 6.338 509 HD3 LYS 73 2HD LYS 73 -1.016 -13.323 6.612 510 HE2 LYS 73 1HE LYS 73 -0.999 -14.639 3.915 511 HE3 LYS 73 2HE LYS 73 -2.354 -13.644 4.444 512 HZ1 LYS 73 3HZ LYS 73 -0.335 -12.623 3.144 513 HZ2 LYS 73 1HZ LYS 73 0.344 -12.537 4.691 514 HZ3 LYS 73 2HZ LYS 73 -1.118 -11.752 4.365 515 H GLU 74 H GLU 74 2.574 -18.834 7.993 516 HA GLU 74 HA GLU 74 0.707 -18.675 10.190 517 HB2 GLU 74 1HB GLU 74 1.951 -20.432 11.189 518 HB3 GLU 74 2HB GLU 74 1.896 -20.786 9.468 519 HG2 GLU 74 1HG GLU 74 4.215 -19.432 10.819 520 HG3 GLU 74 2HG GLU 74 4.105 -21.172 10.561 521 H SER 75 H SER 75 0.950 -17.601 12.073 522 HA SER 75 HA SER 75 3.034 -15.599 12.207 523 HB2 SER 75 1HB SER 75 0.584 -16.187 13.859 524 HB3 SER 75 2HB SER 75 1.780 -15.000 14.379 525 HG SER 75 HG SER 75 1.434 -14.157 12.105 526 H GLY 76 H GLY 76 1.932 -18.322 14.219 527 HA2 GLY 76 1HA GLY 76 3.328 -19.802 15.391 528 HA3 GLY 76 2HA GLY 76 4.669 -18.691 15.152 529 HA PRO 77 HA PRO 77 2.402 -18.207 19.380 530 HB2 PRO 77 1HB PRO 77 3.691 -20.050 20.900 531 HB3 PRO 77 2HB PRO 77 2.184 -20.396 20.043 532 HG2 PRO 77 1HG PRO 77 4.999 -21.049 19.263 533 HG3 PRO 77 2HG PRO 77 3.545 -22.059 19.156 534 HD2 PRO 77 1HD PRO 77 4.575 -20.755 17.017 535 HD3 PRO 77 2HD PRO 77 2.834 -21.048 17.210 536 H SER 78 H SER 78 3.279 -16.894 20.930 537 HA SER 78 HA SER 78 6.077 -16.828 21.515 538 HB2 SER 78 1HB SER 78 5.952 -15.643 19.292 539 HB3 SER 78 2HB SER 78 4.961 -14.413 20.076 540 HG SER 78 HG SER 78 7.511 -14.375 19.950 541 H SER 79 H SER 79 6.571 -15.519 23.297 542 HA SER 79 HA SER 79 4.466 -13.908 24.487 543 HB2 SER 79 1HB SER 79 5.527 -16.436 25.746 544 HB3 SER 79 2HB SER 79 4.787 -15.151 26.701 545 HG SER 79 HG SER 79 3.047 -15.458 24.922 546 H GLY 80 H GLY 80 5.289 -12.178 25.492 547 HA2 GLY 80 1HA GLY 80 8.205 -12.091 25.859 548 HA3 GLY 80 2HA GLY 80 7.152 -10.694 25.691 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.736 0.319 23.689 2 HA2 GLY 1 1HA GLY 1 6.201 1.091 22.613 3 HA3 GLY 1 2HA GLY 1 5.373 0.125 21.400 4 H SER 2 H SER 2 4.885 1.662 19.920 5 HA SER 2 HA SER 2 3.860 4.235 20.653 6 HB2 SER 2 1HB SER 2 4.227 2.807 18.024 7 HB3 SER 2 2HB SER 2 3.428 4.376 18.120 8 HG SER 2 HG SER 2 5.408 5.089 17.994 9 H SER 3 H SER 3 1.931 4.176 21.679 10 HA SER 3 HA SER 3 -0.299 3.895 22.041 11 HB2 SER 3 1HB SER 3 -0.058 4.148 19.082 12 HB3 SER 3 2HB SER 3 -1.611 3.625 19.732 13 HG SER 3 HG SER 3 -1.128 6.002 19.478 14 H GLY 4 H GLY 4 1.475 1.515 21.860 15 HA2 GLY 4 1HA GLY 4 0.638 -0.643 22.605 16 HA3 GLY 4 2HA GLY 4 -0.658 -0.479 21.430 17 H SER 5 H SER 5 0.223 -0.174 19.095 18 HA SER 5 HA SER 5 2.191 -2.314 18.673 19 HB2 SER 5 1HB SER 5 0.150 -1.173 16.749 20 HB3 SER 5 2HB SER 5 1.223 -2.535 16.427 21 HG SER 5 HG SER 5 -1.148 -2.670 17.451 22 H SER 6 H SER 6 3.728 -2.086 16.922 23 HA SER 6 HA SER 6 4.211 0.440 15.694 24 HB2 SER 6 1HB SER 6 6.292 1.021 16.820 25 HB3 SER 6 2HB SER 6 4.985 0.940 18.001 26 HG SER 6 HG SER 6 6.390 -0.306 18.985 27 H GLY 7 H GLY 7 5.657 0.285 14.015 28 HA2 GLY 7 1HA GLY 7 7.777 -1.210 13.487 29 HA3 GLY 7 2HA GLY 7 6.518 -2.430 13.370 30 H ALA 8 H ALA 8 5.769 -2.788 11.399 31 HA ALA 8 HA ALA 8 5.199 -0.640 9.578 32 HB1 ALA 8 3HB ALA 8 7.584 -0.842 9.182 33 HB2 ALA 8 1HB ALA 8 7.411 -2.573 8.890 34 HB3 ALA 8 2HB ALA 8 6.683 -1.413 7.778 35 H THR 9 H THR 9 4.583 -1.665 7.339 36 HA THR 9 HA THR 9 3.335 -4.291 7.707 37 HB THR 9 HB THR 9 1.850 -1.821 6.790 38 HG1 THR 9 1HG THR 9 2.186 -2.396 9.151 39 HG21 THR 9 3HG2 THR 9 0.857 -3.394 5.458 40 HG22 THR 9 1HG2 THR 9 -0.072 -3.646 6.935 41 HG23 THR 9 2HG2 THR 9 1.265 -4.726 6.539 42 H SER 10 H SER 10 3.464 -5.554 5.951 43 HA SER 10 HA SER 10 4.675 -4.422 3.550 44 HB2 SER 10 1HB SER 10 5.272 -6.651 2.953 45 HB3 SER 10 2HB SER 10 5.566 -6.515 4.687 46 HG SER 10 HG SER 10 3.553 -7.908 3.320 47 H TYR 11 H TYR 11 3.624 -4.136 1.687 48 HA TYR 11 HA TYR 11 0.850 -5.101 1.520 49 HB2 TYR 11 1HB TYR 11 2.201 -2.756 0.173 50 HB3 TYR 11 2HB TYR 11 0.554 -3.276 -0.168 51 HD1 TYR 11 2HD TYR 11 2.604 -2.568 2.886 52 HD2 TYR 11 1HD TYR 11 -1.075 -1.996 0.827 53 HE1 TYR 11 2HE TYR 11 1.787 -1.178 4.743 54 HE2 TYR 11 1HE TYR 11 -1.902 -0.604 2.678 55 HH TYR 11 HH TYR 11 0.166 0.466 5.237 56 H MET 12 H MET 12 0.133 -5.273 -0.896 57 HA MET 12 HA MET 12 2.198 -6.795 -2.347 58 HB2 MET 12 1HB MET 12 -0.677 -7.407 -1.808 59 HB3 MET 12 2HB MET 12 0.044 -7.975 -3.308 60 HG2 MET 12 1HG MET 12 1.080 -8.576 -0.548 61 HG3 MET 12 2HG MET 12 0.096 -9.660 -1.529 62 HE1 MET 12 3HE MET 12 1.217 -9.499 -4.451 63 HE2 MET 12 1HE MET 12 2.413 -10.792 -4.350 64 HE3 MET 12 2HE MET 12 0.860 -10.962 -3.531 65 H THR 13 H THR 13 2.713 -5.984 -4.262 66 HA THR 13 HA THR 13 1.264 -3.790 -5.391 67 HB THR 13 HB THR 13 2.965 -3.659 -7.036 68 HG1 THR 13 1HG THR 13 3.750 -5.428 -7.871 69 HG21 THR 13 3HG2 THR 13 3.811 -2.978 -4.911 70 HG22 THR 13 1HG2 THR 13 5.078 -3.921 -5.694 71 HG23 THR 13 2HG2 THR 13 4.096 -4.647 -4.421 72 H CYS 14 H CYS 14 -0.056 -3.731 -7.150 73 HA CYS 14 HA CYS 14 -0.807 -6.332 -8.310 74 HB2 CYS 14 1HB CYS 14 -2.619 -5.324 -7.021 75 HB3 CYS 14 2HB CYS 14 -2.482 -3.838 -7.952 76 HG CYS 14 HG CYS 14 -4.630 -5.990 -8.495 77 H SER 15 H SER 15 0.652 -3.378 -8.953 78 HA SER 15 HA SER 15 0.606 -3.925 -11.815 79 HB2 SER 15 1HB SER 15 -0.571 -1.508 -10.525 80 HB3 SER 15 2HB SER 15 0.320 -1.284 -12.031 81 HG SER 15 HG SER 15 -1.064 -2.840 -12.984 82 H ALA 16 H ALA 16 2.361 -3.026 -12.956 83 HA ALA 16 HA ALA 16 4.724 -2.679 -11.368 84 HB1 ALA 16 3HB ALA 16 4.449 -3.815 -13.693 85 HB2 ALA 16 1HB ALA 16 4.657 -2.176 -14.312 86 HB3 ALA 16 2HB ALA 16 5.921 -2.914 -13.326 87 H TYR 17 H TYR 17 5.199 -0.815 -10.415 88 HA TYR 17 HA TYR 17 4.223 1.695 -11.510 89 HB2 TYR 17 1HB TYR 17 3.937 1.675 -9.203 90 HB3 TYR 17 2HB TYR 17 5.468 0.857 -8.916 91 HD1 TYR 17 2HD TYR 17 7.603 2.150 -9.124 92 HD2 TYR 17 1HD TYR 17 3.793 4.042 -9.221 93 HE1 TYR 17 2HE TYR 17 8.670 4.311 -8.634 94 HE2 TYR 17 1HE TYR 17 4.850 6.208 -8.733 95 HH TYR 17 HH TYR 17 6.969 7.295 -8.869 96 H GLN 18 H GLN 18 5.438 3.216 -12.483 97 HA GLN 18 HA GLN 18 8.232 2.538 -13.033 98 HB2 GLN 18 1HB GLN 18 6.367 3.181 -14.796 99 HB3 GLN 18 2HB GLN 18 6.840 4.819 -14.364 100 HG2 GLN 18 1HG GLN 18 8.870 2.775 -15.178 101 HG3 GLN 18 2HG GLN 18 7.975 3.714 -16.371 102 HE21 GLN 18 1HE2 GLN 18 10.816 3.567 -14.899 103 HE22 GLN 18 2HE2 GLN 18 11.240 5.241 -14.834 104 H LYS 19 H LYS 19 9.897 3.708 -12.294 105 HA LYS 19 HA LYS 19 9.340 5.859 -10.430 106 HB2 LYS 19 1HB LYS 19 11.742 5.733 -9.913 107 HB3 LYS 19 2HB LYS 19 10.966 4.159 -9.798 108 HG2 LYS 19 1HG LYS 19 12.829 3.560 -10.941 109 HG3 LYS 19 2HG LYS 19 11.793 3.981 -12.307 110 HD2 LYS 19 1HD LYS 19 13.662 5.173 -12.863 111 HD3 LYS 19 2HD LYS 19 12.824 6.381 -11.886 112 HE2 LYS 19 1HE LYS 19 14.880 6.483 -10.910 113 HE3 LYS 19 2HE LYS 19 14.170 5.196 -9.936 114 HZ1 LYS 19 3HZ LYS 19 16.185 4.303 -10.536 115 HZ2 LYS 19 1HZ LYS 19 16.183 5.010 -12.073 116 HZ3 LYS 19 2HZ LYS 19 15.186 3.681 -11.752 117 H VAL 20 H VAL 20 9.624 7.973 -10.798 118 HA VAL 20 HA VAL 20 10.617 8.774 -13.439 119 HB VAL 20 HB VAL 20 9.602 11.019 -12.799 120 HG11 VAL 20 1HG1 VAL 20 7.179 9.858 -12.959 121 HG12 VAL 20 2HG1 VAL 20 8.266 10.040 -14.336 122 HG13 VAL 20 3HG1 VAL 20 8.199 8.510 -13.461 123 HG21 VAL 20 3HG2 VAL 20 8.519 11.325 -10.858 124 HG22 VAL 20 1HG2 VAL 20 7.783 9.723 -10.906 125 HG23 VAL 20 2HG2 VAL 20 9.430 9.920 -10.306 126 H GLN 21 H GLN 21 11.633 8.583 -10.255 127 HA GLN 21 HA GLN 21 13.802 10.486 -10.791 128 HB2 GLN 21 1HB GLN 21 12.468 10.220 -8.096 129 HB3 GLN 21 2HB GLN 21 13.715 11.370 -8.559 130 HG2 GLN 21 1HG GLN 21 11.917 12.099 -10.333 131 HG3 GLN 21 2HG GLN 21 10.809 11.370 -9.172 132 HE21 GLN 21 1HE2 GLN 21 10.516 13.973 -9.664 133 HE22 GLN 21 2HE2 GLN 21 11.075 14.927 -8.337 134 H ASP 22 H ASP 22 15.700 10.130 -9.363 135 HA ASP 22 HA ASP 22 16.496 7.428 -9.422 136 HB2 ASP 22 1HB ASP 22 17.716 9.792 -7.983 137 HB3 ASP 22 2HB ASP 22 18.498 8.225 -8.170 138 H SER 23 H SER 23 15.266 9.485 -6.845 139 HA SER 23 HA SER 23 15.814 7.791 -4.676 140 HB2 SER 23 1HB SER 23 14.081 9.068 -3.480 141 HB3 SER 23 2HB SER 23 15.145 10.138 -4.392 142 HG SER 23 HG SER 23 13.546 10.287 -5.984 143 H GLU 24 H GLU 24 13.023 7.986 -6.840 144 HA GLU 24 HA GLU 24 11.546 5.954 -5.466 145 HB2 GLU 24 1HB GLU 24 11.199 7.149 -8.221 146 HB3 GLU 24 2HB GLU 24 10.063 6.038 -7.468 147 HG2 GLU 24 1HG GLU 24 9.571 7.619 -5.736 148 HG3 GLU 24 2HG GLU 24 10.833 8.707 -6.313 149 H ILE 25 H ILE 25 10.822 3.946 -6.608 150 HA ILE 25 HA ILE 25 12.819 2.834 -8.432 151 HB ILE 25 HB ILE 25 13.768 1.955 -6.521 152 HG12 ILE 25 1HG1 ILE 25 12.787 0.197 -8.174 153 HG13 ILE 25 2HG1 ILE 25 13.424 -0.346 -6.625 154 HG21 ILE 25 1HG2 ILE 25 12.614 2.540 -4.675 155 HG22 ILE 25 2HG2 ILE 25 11.050 2.214 -5.419 156 HG23 ILE 25 3HG2 ILE 25 12.015 0.885 -4.777 157 HD11 ILE 25 3HD1 ILE 25 10.964 -0.954 -7.671 158 HD12 ILE 25 1HD1 ILE 25 11.450 -1.137 -5.986 159 HD13 ILE 25 2HD1 ILE 25 10.601 0.319 -6.506 160 H SER 26 H SER 26 12.031 1.328 -9.842 161 HA SER 26 HA SER 26 9.125 0.996 -9.852 162 HB2 SER 26 1HB SER 26 9.465 0.231 -12.200 163 HB3 SER 26 2HB SER 26 10.085 1.856 -11.909 164 HG SER 26 HG SER 26 11.397 -0.274 -12.812 165 H PHE 27 H PHE 27 8.117 -0.935 -9.678 166 HA PHE 27 HA PHE 27 9.782 -3.354 -9.528 167 HB2 PHE 27 1HB PHE 27 8.165 -4.100 -7.672 168 HB3 PHE 27 2HB PHE 27 9.397 -2.915 -7.251 169 HD1 PHE 27 1HD PHE 27 5.837 -3.231 -8.249 170 HD2 PHE 27 2HD PHE 27 8.800 -0.883 -6.295 171 HE1 PHE 27 1HE PHE 27 4.085 -1.713 -7.424 172 HE2 PHE 27 2HE PHE 27 7.053 0.639 -5.466 173 HZ PHE 27 HZ PHE 27 4.692 0.224 -6.030 174 HA PRO 28 HA PRO 28 6.817 -5.223 -12.171 175 HB2 PRO 28 1HB PRO 28 6.949 -7.809 -11.356 176 HB3 PRO 28 2HB PRO 28 8.235 -7.027 -12.283 177 HG2 PRO 28 1HG PRO 28 8.055 -7.517 -9.335 178 HG3 PRO 28 2HG PRO 28 9.443 -7.721 -10.421 179 HD2 PRO 28 1HD PRO 28 9.151 -5.557 -8.819 180 HD3 PRO 28 2HD PRO 28 9.945 -5.471 -10.404 181 H ALA 29 H ALA 29 4.823 -6.574 -12.180 182 HA ALA 29 HA ALA 29 3.165 -5.873 -9.885 183 HB1 ALA 29 3HB ALA 29 1.446 -5.741 -11.317 184 HB2 ALA 29 1HB ALA 29 2.694 -5.739 -12.563 185 HB3 ALA 29 2HB ALA 29 1.881 -7.243 -12.132 186 H GLY 30 H GLY 30 3.520 -7.350 -8.288 187 HA2 GLY 30 1HA GLY 30 2.263 -9.517 -7.726 188 HA3 GLY 30 2HA GLY 30 3.275 -10.201 -8.990 189 H VAL 31 H VAL 31 4.381 -7.758 -6.733 190 HA VAL 31 HA VAL 31 5.977 -9.803 -5.341 191 HB VAL 31 HB VAL 31 7.838 -8.110 -5.223 192 HG11 VAL 31 1HG1 VAL 31 8.727 -8.663 -7.398 193 HG12 VAL 31 2HG1 VAL 31 7.845 -10.050 -6.757 194 HG13 VAL 31 3HG1 VAL 31 7.113 -9.035 -8.000 195 HG21 VAL 31 3HG2 VAL 31 5.916 -6.644 -6.934 196 HG22 VAL 31 1HG2 VAL 31 7.093 -6.036 -5.769 197 HG23 VAL 31 2HG2 VAL 31 7.621 -6.542 -7.374 198 H GLU 32 H GLU 32 6.659 -9.230 -3.200 199 HA GLU 32 HA GLU 32 4.745 -7.456 -1.887 200 HB2 GLU 32 1HB GLU 32 5.067 -9.804 -1.083 201 HB3 GLU 32 2HB GLU 32 6.711 -9.376 -0.632 202 HG2 GLU 32 1HG GLU 32 5.815 -7.669 0.902 203 HG3 GLU 32 2HG GLU 32 4.183 -8.193 0.491 204 H VAL 33 H VAL 33 5.346 -5.780 -0.521 205 HA VAL 33 HA VAL 33 8.188 -5.066 -0.420 206 HB VAL 33 HB VAL 33 7.619 -2.692 -0.909 207 HG11 VAL 33 1HG1 VAL 33 6.951 -3.330 -3.438 208 HG12 VAL 33 2HG1 VAL 33 8.578 -3.519 -2.779 209 HG13 VAL 33 3HG1 VAL 33 7.489 -4.905 -2.854 210 HG21 VAL 33 3HG2 VAL 33 4.954 -3.742 -0.831 211 HG22 VAL 33 1HG2 VAL 33 5.489 -2.065 -0.926 212 HG23 VAL 33 2HG2 VAL 33 5.257 -3.001 -2.402 213 H GLN 34 H GLN 34 8.642 -3.356 1.181 214 HA GLN 34 HA GLN 34 6.767 -3.537 3.442 215 HB2 GLN 34 1HB GLN 34 9.128 -4.501 3.647 216 HB3 GLN 34 2HB GLN 34 9.689 -2.835 3.640 217 HG2 GLN 34 1HG GLN 34 9.556 -3.355 5.891 218 HG3 GLN 34 2HG GLN 34 8.054 -2.484 5.582 219 HE21 GLN 34 1HE2 GLN 34 9.415 -5.236 6.884 220 HE22 GLN 34 2HE2 GLN 34 7.983 -6.188 7.052 221 H VAL 35 H VAL 35 5.718 -1.750 3.980 222 HA VAL 35 HA VAL 35 6.471 0.792 2.818 223 HB VAL 35 HB VAL 35 4.147 -0.022 4.562 224 HG11 VAL 35 1HG1 VAL 35 5.163 2.636 3.851 225 HG12 VAL 35 2HG1 VAL 35 3.446 2.390 3.526 226 HG13 VAL 35 3HG1 VAL 35 4.081 2.144 5.153 227 HG21 VAL 35 3HG2 VAL 35 3.007 0.782 2.319 228 HG22 VAL 35 1HG2 VAL 35 4.582 0.361 1.645 229 HG23 VAL 35 2HG2 VAL 35 3.632 -0.858 2.496 230 H LEU 36 H LEU 36 8.127 1.807 3.775 231 HA LEU 36 HA LEU 36 8.654 1.621 6.584 232 HB2 LEU 36 1HB LEU 36 9.814 3.521 4.551 233 HB3 LEU 36 2HB LEU 36 10.467 3.173 6.151 234 HG LEU 36 HG LEU 36 10.256 1.149 3.924 235 HD11 LEU 36 1HD1 LEU 36 12.512 2.942 4.775 236 HD12 LEU 36 2HD1 LEU 36 11.818 2.739 3.167 237 HD13 LEU 36 3HD1 LEU 36 12.773 1.442 3.885 238 HD21 LEU 36 3HD2 LEU 36 10.678 -0.317 5.538 239 HD22 LEU 36 1HD2 LEU 36 10.831 0.970 6.735 240 HD23 LEU 36 2HD2 LEU 36 12.234 0.476 5.788 241 H GLU 37 H GLU 37 7.997 4.473 4.538 242 HA GLU 37 HA GLU 37 6.579 5.658 6.835 243 HB2 GLU 37 1HB GLU 37 8.800 6.717 6.167 244 HB3 GLU 37 2HB GLU 37 7.997 7.230 4.689 245 HG2 GLU 37 1HG GLU 37 6.572 8.681 5.819 246 HG3 GLU 37 2HG GLU 37 6.861 7.902 7.374 247 H LYS 38 H LYS 38 5.038 7.442 6.117 248 HA LYS 38 HA LYS 38 3.795 6.870 3.527 249 HB2 LYS 38 1HB LYS 38 2.445 6.719 6.216 250 HB3 LYS 38 2HB LYS 38 1.537 6.993 4.735 251 HG2 LYS 38 1HG LYS 38 2.611 4.868 3.858 252 HG3 LYS 38 2HG LYS 38 3.130 4.574 5.519 253 HD2 LYS 38 1HD LYS 38 0.820 4.616 6.272 254 HD3 LYS 38 2HD LYS 38 0.274 4.996 4.637 255 HE2 LYS 38 1HE LYS 38 -0.080 2.693 4.848 256 HE3 LYS 38 2HE LYS 38 1.428 2.822 3.943 257 HZ1 LYS 38 3HZ LYS 38 1.031 2.050 6.763 258 HZ2 LYS 38 1HZ LYS 38 2.526 2.638 6.232 259 HZ3 LYS 38 2HZ LYS 38 1.879 1.233 5.548 260 H GLN 39 H GLN 39 2.955 8.626 2.524 261 HA GLN 39 HA GLN 39 3.233 11.190 3.925 262 HB2 GLN 39 1HB GLN 39 3.140 10.510 0.985 263 HB3 GLN 39 2HB GLN 39 3.134 12.157 1.601 264 HG2 GLN 39 1HG GLN 39 5.295 11.407 2.842 265 HG3 GLN 39 2HG GLN 39 5.324 10.137 1.620 266 HE21 GLN 39 1HE2 GLN 39 6.885 10.705 0.265 267 HE22 GLN 39 2HE2 GLN 39 7.027 12.238 -0.519 268 H GLU 40 H GLU 40 1.611 12.815 3.690 269 HA GLU 40 HA GLU 40 -1.038 11.785 3.916 270 HB2 GLU 40 1HB GLU 40 -1.704 14.012 4.410 271 HB3 GLU 40 2HB GLU 40 -0.118 13.794 5.138 272 HG2 GLU 40 1HG GLU 40 0.923 14.997 3.320 273 HG3 GLU 40 2HG GLU 40 -0.629 15.144 2.497 274 H SER 41 H SER 41 0.774 12.196 1.254 275 HA SER 41 HA SER 41 -1.400 13.213 -0.431 276 HB2 SER 41 1HB SER 41 0.896 14.189 -0.674 277 HB3 SER 41 2HB SER 41 1.459 12.610 -1.222 278 HG SER 41 HG SER 41 -0.558 14.185 -2.454 279 H GLY 42 H GLY 42 -0.110 10.316 0.649 280 HA2 GLY 42 1HA GLY 42 -1.296 8.283 0.058 281 HA3 GLY 42 2HA GLY 42 -1.388 8.883 -1.591 282 H TRP 43 H TRP 43 1.508 9.810 -1.224 283 HA TRP 43 HA TRP 43 2.686 7.439 -2.329 284 HB2 TRP 43 1HB TRP 43 3.832 10.151 -1.646 285 HB3 TRP 43 2HB TRP 43 4.767 8.860 -2.394 286 HD1 TRP 43 HD TRP 43 1.809 11.209 -3.143 287 HE1 TRP 43 1HE TRP 43 1.555 11.398 -5.698 288 HE3 TRP 43 3HE TRP 43 5.279 7.733 -4.563 289 HZ2 TRP 43 2HZ TRP 43 2.677 10.228 -8.009 290 HZ3 TRP 43 3HZ TRP 43 5.627 7.327 -6.965 291 HH2 TRP 43 HH TRP 43 4.352 8.549 -8.650 292 H TRP 44 H TRP 44 3.465 5.819 -1.168 293 HA TRP 44 HA TRP 44 4.497 6.388 1.531 294 HB2 TRP 44 1HB TRP 44 3.531 3.724 0.481 295 HB3 TRP 44 2HB TRP 44 3.918 4.136 2.149 296 HD1 TRP 44 HD TRP 44 2.226 7.043 1.743 297 HE1 TRP 44 1HE TRP 44 -0.326 6.892 2.042 298 HE3 TRP 44 3HE TRP 44 1.630 2.006 1.099 299 HZ2 TRP 44 2HZ TRP 44 -2.327 4.901 2.010 300 HZ3 TRP 44 3HZ TRP 44 -0.636 1.058 1.249 301 HH2 TRP 44 HH TRP 44 -2.572 2.477 1.696 302 H TYR 45 H TYR 45 6.513 5.718 2.111 303 HA TYR 45 HA TYR 45 8.346 5.107 -0.015 304 HB2 TYR 45 1HB TYR 45 8.719 6.558 2.128 305 HB3 TYR 45 2HB TYR 45 9.095 5.016 2.888 306 HD1 TYR 45 1HD TYR 45 9.897 6.389 -0.494 307 HD2 TYR 45 2HD TYR 45 11.381 4.897 3.204 308 HE1 TYR 45 1HE TYR 45 12.193 6.525 -1.367 309 HE2 TYR 45 2HE TYR 45 13.681 5.030 2.342 310 HH TYR 45 HH TYR 45 14.370 5.598 -0.974 311 H VAL 46 H VAL 46 8.364 3.102 -0.811 312 HA VAL 46 HA VAL 46 8.130 0.830 1.034 313 HB VAL 46 HB VAL 46 7.966 -0.463 -1.211 314 HG11 VAL 46 1HG1 VAL 46 6.100 -0.347 0.252 315 HG12 VAL 46 2HG1 VAL 46 5.812 1.349 -0.143 316 HG13 VAL 46 3HG1 VAL 46 5.517 0.098 -1.351 317 HG21 VAL 46 3HG2 VAL 46 8.564 1.902 -2.330 318 HG22 VAL 46 1HG2 VAL 46 7.623 0.655 -3.148 319 HG23 VAL 46 2HG2 VAL 46 6.804 2.001 -2.356 320 H ARG 47 H ARG 47 9.457 -1.128 0.387 321 HA ARG 47 HA ARG 47 12.116 -0.342 -0.593 322 HB2 ARG 47 1HB ARG 47 12.228 -0.398 1.839 323 HB3 ARG 47 2HB ARG 47 11.528 -2.011 1.858 324 HG2 ARG 47 1HG ARG 47 13.490 -2.895 0.725 325 HG3 ARG 47 2HG ARG 47 14.190 -1.276 0.657 326 HD2 ARG 47 1HD ARG 47 15.118 -2.611 2.499 327 HD3 ARG 47 2HD ARG 47 14.269 -1.178 3.078 328 HE ARG 47 HE ARG 47 12.392 -3.158 3.147 329 HH11 ARG 47 1HH1 ARG 47 15.573 -2.733 4.497 330 HH12 ARG 47 2HH1 ARG 47 15.252 -3.706 5.894 331 HH21 ARG 47 1HH2 ARG 47 11.958 -4.441 4.982 332 HH22 ARG 47 2HH2 ARG 47 13.196 -4.678 6.168 333 H PHE 48 H PHE 48 12.735 -1.573 -2.232 334 HA PHE 48 HA PHE 48 11.676 -4.318 -2.409 335 HB2 PHE 48 1HB PHE 48 10.746 -2.766 -4.127 336 HB3 PHE 48 2HB PHE 48 12.382 -2.505 -4.724 337 HD1 PHE 48 2HD PHE 48 10.369 -5.502 -3.766 338 HD2 PHE 48 1HD PHE 48 12.771 -3.576 -6.705 339 HE1 PHE 48 2HE PHE 48 10.141 -7.464 -5.233 340 HE2 PHE 48 1HE PHE 48 12.546 -5.535 -8.177 341 HZ PHE 48 HZ PHE 48 11.231 -7.483 -7.441 342 H GLY 49 H GLY 49 13.415 -5.363 -1.496 343 HA2 GLY 49 1HA GLY 49 15.398 -6.543 -1.680 344 HA3 GLY 49 2HA GLY 49 15.698 -5.729 -3.208 345 H GLU 50 H GLU 50 17.260 -4.247 -3.267 346 HA GLU 50 HA GLU 50 18.298 -3.258 -0.694 347 HB2 GLU 50 1HB GLU 50 19.797 -4.735 -2.108 348 HB3 GLU 50 2HB GLU 50 19.830 -3.431 -3.287 349 HG2 GLU 50 1HG GLU 50 20.979 -1.996 -1.835 350 HG3 GLU 50 2HG GLU 50 20.628 -3.001 -0.430 351 H LEU 51 H LEU 51 16.118 -2.050 -2.147 352 HA LEU 51 HA LEU 51 17.246 0.620 -2.431 353 HB2 LEU 51 1HB LEU 51 15.449 -0.563 -4.540 354 HB3 LEU 51 2HB LEU 51 16.140 1.058 -4.529 355 HG LEU 51 HG LEU 51 17.868 -1.398 -4.636 356 HD11 LEU 51 1HD1 LEU 51 17.832 -1.401 -6.976 357 HD12 LEU 51 2HD1 LEU 51 16.994 0.148 -7.055 358 HD13 LEU 51 3HD1 LEU 51 16.136 -1.292 -6.505 359 HD21 LEU 51 3HD2 LEU 51 19.531 0.091 -5.452 360 HD22 LEU 51 1HD2 LEU 51 18.815 0.849 -4.030 361 HD23 LEU 51 2HD2 LEU 51 18.360 1.397 -5.643 362 H GLU 52 H GLU 52 15.631 2.313 -2.329 363 HA GLU 52 HA GLU 52 13.002 1.463 -1.349 364 HB2 GLU 52 1HB GLU 52 14.942 3.268 0.085 365 HB3 GLU 52 2HB GLU 52 13.218 3.290 0.424 366 HG2 GLU 52 1HG GLU 52 13.902 1.837 2.025 367 HG3 GLU 52 2HG GLU 52 13.587 0.700 0.716 368 H GLY 53 H GLY 53 11.481 2.467 -2.474 369 HA2 GLY 53 1HA GLY 53 12.004 5.229 -3.379 370 HA3 GLY 53 2HA GLY 53 11.302 4.034 -4.459 371 H TRP 54 H TRP 54 9.963 6.349 -4.089 372 HA TRP 54 HA TRP 54 7.895 5.831 -2.083 373 HB2 TRP 54 1HB TRP 54 8.453 8.257 -3.801 374 HB3 TRP 54 2HB TRP 54 7.106 8.130 -2.672 375 HD1 TRP 54 HD TRP 54 10.899 8.575 -2.774 376 HE1 TRP 54 1HE TRP 54 11.706 9.324 -0.448 377 HE3 TRP 54 3HE TRP 54 6.533 7.999 -0.177 378 HZ2 TRP 54 2HZ TRP 54 10.633 9.630 2.146 379 HZ3 TRP 54 3HZ TRP 54 6.508 8.542 2.223 380 HH2 TRP 54 HH TRP 54 8.517 9.340 3.359 381 H ALA 55 H ALA 55 6.377 4.468 -2.795 382 HA ALA 55 HA ALA 55 5.365 4.806 -5.540 383 HB1 ALA 55 3HB ALA 55 6.352 2.578 -4.840 384 HB2 ALA 55 1HB ALA 55 4.937 2.389 -3.804 385 HB3 ALA 55 2HB ALA 55 4.739 2.534 -5.551 386 HA PRO 56 HA PRO 56 1.526 6.275 -3.967 387 HB2 PRO 56 1HB PRO 56 -0.088 5.594 -6.040 388 HB3 PRO 56 2HB PRO 56 1.065 6.931 -6.120 389 HG2 PRO 56 1HG PRO 56 1.328 4.138 -7.166 390 HG3 PRO 56 2HG PRO 56 1.781 5.669 -7.937 391 HD2 PRO 56 1HD PRO 56 3.589 4.056 -6.727 392 HD3 PRO 56 2HD PRO 56 3.756 5.823 -6.759 393 H SER 57 H SER 57 -0.221 5.546 -2.835 394 HA SER 57 HA SER 57 -0.316 2.815 -2.102 395 HB2 SER 57 1HB SER 57 -2.240 3.430 -0.743 396 HB3 SER 57 2HB SER 57 -1.000 4.676 -0.605 397 HG SER 57 HG SER 57 -3.460 5.089 -1.203 398 H HIS 58 H HIS 58 -1.803 4.607 -4.627 399 HA HIS 58 HA HIS 58 -4.121 3.080 -5.058 400 HB2 HIS 58 1HB HIS 58 -2.484 4.434 -7.205 401 HB3 HIS 58 2HB HIS 58 -4.211 4.089 -7.230 402 HD1 HIS 58 1HD HIS 58 -1.745 6.600 -6.150 403 HD2 HIS 58 2HD HIS 58 -5.766 5.778 -5.504 404 HE1 HIS 58 1HE HIS 58 -2.705 8.693 -5.140 405 HE2 HIS 58 2HE HIS 58 -5.119 8.143 -4.679 406 H TYR 59 H TYR 59 -0.780 2.567 -5.953 407 HA TYR 59 HA TYR 59 -1.380 0.381 -7.739 408 HB2 TYR 59 1HB TYR 59 1.191 1.521 -6.649 409 HB3 TYR 59 2HB TYR 59 1.153 0.081 -7.661 410 HD1 TYR 59 1HD TYR 59 -0.671 3.341 -7.840 411 HD2 TYR 59 2HD TYR 59 1.963 0.604 -9.758 412 HE1 TYR 59 1HE TYR 59 -0.668 4.760 -9.849 413 HE2 TYR 59 2HE TYR 59 1.974 2.016 -11.772 414 HH TYR 59 HH TYR 59 0.767 3.713 -12.836 415 H LEU 60 H LEU 60 -0.149 0.778 -4.450 416 HA LEU 60 HA LEU 60 0.380 -1.967 -3.987 417 HB2 LEU 60 1HB LEU 60 -0.203 0.263 -2.045 418 HB3 LEU 60 2HB LEU 60 0.412 -1.328 -1.602 419 HG LEU 60 HG LEU 60 1.895 0.556 -3.423 420 HD11 LEU 60 1HD1 LEU 60 2.407 0.169 -0.486 421 HD12 LEU 60 2HD1 LEU 60 1.454 1.506 -1.127 422 HD13 LEU 60 3HD1 LEU 60 3.150 1.336 -1.579 423 HD21 LEU 60 3HD2 LEU 60 2.332 -1.996 -3.294 424 HD22 LEU 60 1HD2 LEU 60 3.064 -1.618 -1.734 425 HD23 LEU 60 2HD2 LEU 60 3.696 -0.881 -3.206 426 H VAL 61 H VAL 61 -0.812 -3.513 -2.854 427 HA VAL 61 HA VAL 61 -3.713 -3.071 -2.922 428 HB VAL 61 HB VAL 61 -2.137 -5.645 -2.798 429 HG11 VAL 61 1HG1 VAL 61 -4.732 -5.187 -1.908 430 HG12 VAL 61 2HG1 VAL 61 -4.925 -5.899 -3.511 431 HG13 VAL 61 3HG1 VAL 61 -3.998 -6.747 -2.274 432 HG21 VAL 61 3HG2 VAL 61 -2.536 -4.044 -4.960 433 HG22 VAL 61 1HG2 VAL 61 -2.300 -5.790 -5.033 434 HG23 VAL 61 2HG2 VAL 61 -3.930 -5.119 -5.059 435 H LEU 62 H LEU 62 -4.767 -2.747 -1.085 436 HA LEU 62 HA LEU 62 -3.745 -3.971 1.382 437 HB2 LEU 62 1HB LEU 62 -4.260 -1.932 2.625 438 HB3 LEU 62 2HB LEU 62 -3.021 -1.663 1.400 439 HG LEU 62 HG LEU 62 -5.861 -1.004 0.762 440 HD11 LEU 62 1HD1 LEU 62 -4.023 0.838 2.279 441 HD12 LEU 62 2HD1 LEU 62 -5.387 -0.021 2.992 442 HD13 LEU 62 3HD1 LEU 62 -5.664 1.180 1.730 443 HD21 LEU 62 3HD2 LEU 62 -3.889 0.896 -0.053 444 HD22 LEU 62 1HD2 LEU 62 -4.915 -0.137 -1.047 445 HD23 LEU 62 2HD2 LEU 62 -3.350 -0.727 -0.487 446 H ASP 63 H ASP 63 -5.261 -4.926 2.601 447 HA ASP 63 HA ASP 63 -8.073 -4.536 1.818 448 HB2 ASP 63 1HB ASP 63 -7.511 -6.790 1.392 449 HB3 ASP 63 2HB ASP 63 -6.599 -6.933 2.892 450 H GLU 64 H GLU 64 -9.331 -3.522 3.223 451 HA GLU 64 HA GLU 64 -8.688 -3.714 6.089 452 HB2 GLU 64 1HB GLU 64 -7.993 -1.522 5.363 453 HB3 GLU 64 2HB GLU 64 -9.527 -1.257 4.546 454 HG2 GLU 64 1HG GLU 64 -9.406 -0.031 6.643 455 HG3 GLU 64 2HG GLU 64 -10.688 -1.241 6.675 456 H ASN 65 H ASN 65 -10.279 -4.731 7.098 457 HA ASN 65 HA ASN 65 -13.026 -3.926 6.676 458 HB2 ASN 65 1HB ASN 65 -12.494 -5.779 4.995 459 HB3 ASN 65 2HB ASN 65 -12.361 -6.853 6.384 460 HD21 ASN 65 1HD2 ASN 65 -14.517 -4.772 4.575 461 HD22 ASN 65 2HD2 ASN 65 -15.986 -5.497 5.124 462 H GLU 66 H GLU 66 -14.484 -5.386 8.157 463 HA GLU 66 HA GLU 66 -13.567 -5.020 10.804 464 HB2 GLU 66 1HB GLU 66 -15.931 -6.573 9.740 465 HB3 GLU 66 2HB GLU 66 -15.655 -6.232 11.442 466 HG2 GLU 66 1HG GLU 66 -15.912 -4.086 9.355 467 HG3 GLU 66 2HG GLU 66 -17.278 -4.720 10.272 468 H GLN 67 H GLN 67 -12.119 -6.220 11.827 469 HA GLN 67 HA GLN 67 -12.153 -9.133 11.402 470 HB2 GLN 67 1HB GLN 67 -9.801 -9.248 11.364 471 HB3 GLN 67 2HB GLN 67 -10.204 -7.899 10.311 472 HG2 GLN 67 1HG GLN 67 -9.464 -7.535 13.197 473 HG3 GLN 67 2HG GLN 67 -8.272 -7.562 11.898 474 HE21 GLN 67 1HE2 GLN 67 -9.936 -5.564 13.811 475 HE22 GLN 67 2HE2 GLN 67 -10.051 -4.173 12.793 476 HA PRO 68 HA PRO 68 -12.560 -9.424 15.773 477 HB2 PRO 68 1HB PRO 68 -11.628 -11.949 16.127 478 HB3 PRO 68 2HB PRO 68 -13.208 -11.599 15.417 479 HG2 PRO 68 1HG PRO 68 -10.630 -12.283 14.058 480 HG3 PRO 68 2HG PRO 68 -12.267 -12.867 13.709 481 HD2 PRO 68 1HD PRO 68 -11.076 -10.917 12.257 482 HD3 PRO 68 2HD PRO 68 -12.829 -10.967 12.530 483 H ASP 69 H ASP 69 -11.288 -8.439 17.201 484 HA ASP 69 HA ASP 69 -8.724 -7.750 17.135 485 HB2 ASP 69 1HB ASP 69 -10.480 -7.492 19.049 486 HB3 ASP 69 2HB ASP 69 -9.693 -8.916 19.725 487 HA PRO 70 HA PRO 70 -6.851 -11.870 16.713 488 HB2 PRO 70 1HB PRO 70 -4.595 -10.946 15.520 489 HB3 PRO 70 2HB PRO 70 -6.098 -11.238 14.637 490 HG2 PRO 70 1HG PRO 70 -4.984 -8.663 15.680 491 HG3 PRO 70 2HG PRO 70 -5.751 -8.998 14.117 492 HD2 PRO 70 1HD PRO 70 -7.071 -7.815 16.164 493 HD3 PRO 70 2HD PRO 70 -7.879 -8.877 14.994 494 H SER 71 H SER 71 -4.179 -12.175 16.966 495 HA SER 71 HA SER 71 -3.621 -11.117 19.660 496 HB2 SER 71 1HB SER 71 -3.128 -13.808 18.426 497 HB3 SER 71 2HB SER 71 -2.108 -13.247 19.751 498 HG SER 71 HG SER 71 -4.035 -14.483 20.352 499 H GLY 72 H GLY 72 -1.399 -10.707 20.204 500 HA2 GLY 72 1HA GLY 72 0.884 -10.887 18.845 501 HA3 GLY 72 2HA GLY 72 0.068 -9.626 17.932 502 H LYS 73 H LYS 73 2.405 -9.968 20.051 503 HA LYS 73 HA LYS 73 2.162 -7.284 21.040 504 HB2 LYS 73 1HB LYS 73 0.834 -8.797 22.650 505 HB3 LYS 73 2HB LYS 73 2.402 -9.419 23.147 506 HG2 LYS 73 1HG LYS 73 1.983 -7.770 24.707 507 HG3 LYS 73 2HG LYS 73 3.009 -6.941 23.534 508 HD2 LYS 73 1HD LYS 73 1.335 -5.393 23.803 509 HD3 LYS 73 2HD LYS 73 0.705 -6.317 22.438 510 HE2 LYS 73 1HE LYS 73 -0.721 -7.593 23.903 511 HE3 LYS 73 2HE LYS 73 -0.011 -6.826 25.323 512 HZ1 LYS 73 3HZ LYS 73 -1.402 -5.127 25.131 513 HZ2 LYS 73 1HZ LYS 73 -2.224 -5.984 23.926 514 HZ3 LYS 73 2HZ LYS 73 -1.009 -4.885 23.504 515 H GLU 74 H GLU 74 4.130 -6.397 21.263 516 HA GLU 74 HA GLU 74 6.435 -7.985 21.969 517 HB2 GLU 74 1HB GLU 74 6.293 -6.663 19.254 518 HB3 GLU 74 2HB GLU 74 7.714 -7.434 19.945 519 HG2 GLU 74 1HG GLU 74 6.275 -9.544 20.077 520 HG3 GLU 74 2HG GLU 74 5.177 -8.701 18.986 521 H SER 75 H SER 75 8.399 -6.648 22.186 522 HA SER 75 HA SER 75 7.706 -3.846 22.783 523 HB2 SER 75 1HB SER 75 9.754 -5.588 24.176 524 HB3 SER 75 2HB SER 75 9.365 -3.917 24.585 525 HG SER 75 HG SER 75 8.147 -6.164 25.380 526 H GLY 76 H GLY 76 9.081 -2.236 22.132 527 HA2 GLY 76 1HA GLY 76 11.551 -3.029 20.745 528 HA3 GLY 76 2HA GLY 76 10.370 -2.042 19.897 529 HA PRO 77 HA PRO 77 12.100 0.689 23.504 530 HB2 PRO 77 1HB PRO 77 14.275 -0.280 24.808 531 HB3 PRO 77 2HB PRO 77 12.618 -0.599 25.334 532 HG2 PRO 77 1HG PRO 77 14.471 -2.338 23.750 533 HG3 PRO 77 2HG PRO 77 13.392 -2.778 25.087 534 HD2 PRO 77 1HD PRO 77 12.757 -3.228 22.494 535 HD3 PRO 77 2HD PRO 77 11.533 -2.860 23.726 536 H SER 78 H SER 78 13.349 2.353 22.884 537 HA SER 78 HA SER 78 15.785 1.775 21.334 538 HB2 SER 78 1HB SER 78 13.482 3.556 20.655 539 HB3 SER 78 2HB SER 78 15.101 4.042 20.151 540 HG SER 78 HG SER 78 15.058 2.555 18.671 541 H SER 79 H SER 79 16.993 2.123 23.251 542 HA SER 79 HA SER 79 16.816 4.500 24.785 543 HB2 SER 79 1HB SER 79 18.976 3.786 25.748 544 HB3 SER 79 2HB SER 79 17.817 2.458 25.692 545 HG SER 79 HG SER 79 19.512 2.782 23.504 546 H GLY 80 H GLY 80 16.910 6.316 23.503 547 HA2 GLY 80 1HA GLY 80 17.805 7.870 22.034 548 HA3 GLY 80 2HA GLY 80 19.208 7.653 23.070 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -4.808 -5.556 16.973 2 HA2 GLY 1 1HA GLY 1 -7.183 -6.447 17.730 3 HA3 GLY 1 2HA GLY 1 -6.830 -5.368 19.072 4 H SER 2 H SER 2 -7.700 -3.425 18.888 5 HA SER 2 HA SER 2 -8.554 -2.480 16.268 6 HB2 SER 2 1HB SER 2 -10.215 -2.330 18.006 7 HB3 SER 2 2HB SER 2 -9.099 -1.472 19.068 8 HG SER 2 HG SER 2 -9.451 0.331 18.003 9 H SER 3 H SER 3 -6.898 -1.036 19.081 10 HA SER 3 HA SER 3 -6.029 1.305 18.013 11 HB2 SER 3 1HB SER 3 -4.512 -0.553 19.857 12 HB3 SER 3 2HB SER 3 -4.039 1.115 19.532 13 HG SER 3 HG SER 3 -5.312 1.461 21.190 14 H GLY 4 H GLY 4 -4.351 -1.823 17.741 15 HA2 GLY 4 1HA GLY 4 -3.440 -2.344 15.502 16 HA3 GLY 4 2HA GLY 4 -2.855 -0.687 15.459 17 H SER 5 H SER 5 -1.136 -2.770 14.989 18 HA SER 5 HA SER 5 0.420 -2.976 17.480 19 HB2 SER 5 1HB SER 5 1.452 -4.963 16.569 20 HB3 SER 5 2HB SER 5 -0.298 -5.130 16.425 21 HG SER 5 HG SER 5 -0.130 -4.582 14.247 22 H SER 6 H SER 6 2.144 -1.718 17.613 23 HA SER 6 HA SER 6 3.061 0.002 15.661 24 HB2 SER 6 1HB SER 6 4.905 0.466 17.080 25 HB3 SER 6 2HB SER 6 3.593 0.003 18.163 26 HG SER 6 HG SER 6 4.537 -1.958 18.475 27 H GLY 7 H GLY 7 5.026 0.037 14.414 28 HA2 GLY 7 1HA GLY 7 6.995 -1.328 13.701 29 HA3 GLY 7 2HA GLY 7 5.868 -2.671 13.580 30 H ALA 8 H ALA 8 6.774 -2.767 11.369 31 HA ALA 8 HA ALA 8 5.810 -0.695 9.553 32 HB1 ALA 8 3HB ALA 8 8.022 -1.318 9.071 33 HB2 ALA 8 1HB ALA 8 7.657 -3.038 9.208 34 HB3 ALA 8 2HB ALA 8 7.045 -2.113 7.837 35 H THR 9 H THR 9 5.183 -1.887 7.289 36 HA THR 9 HA THR 9 3.360 -4.100 7.727 37 HB THR 9 HB THR 9 2.343 -1.396 6.833 38 HG1 THR 9 1HG THR 9 1.955 -2.999 9.140 39 HG21 THR 9 3HG2 THR 9 1.048 -4.116 6.831 40 HG22 THR 9 1HG2 THR 9 1.240 -3.001 5.478 41 HG23 THR 9 2HG2 THR 9 0.122 -2.616 6.787 42 H SER 10 H SER 10 3.645 -5.427 6.070 43 HA SER 10 HA SER 10 4.807 -4.453 3.598 44 HB2 SER 10 1HB SER 10 4.359 -7.125 4.842 45 HB3 SER 10 2HB SER 10 4.491 -7.051 3.085 46 HG SER 10 HG SER 10 6.555 -6.846 3.333 47 H TYR 11 H TYR 11 3.853 -4.485 1.595 48 HA TYR 11 HA TYR 11 0.974 -5.107 1.528 49 HB2 TYR 11 1HB TYR 11 2.426 -2.828 0.171 50 HB3 TYR 11 2HB TYR 11 0.744 -3.254 -0.127 51 HD1 TYR 11 2HD TYR 11 2.996 -2.487 2.760 52 HD2 TYR 11 1HD TYR 11 -0.869 -2.080 1.028 53 HE1 TYR 11 2HE TYR 11 2.308 -1.062 4.643 54 HE2 TYR 11 1HE TYR 11 -1.568 -0.654 2.906 55 HH TYR 11 HH TYR 11 -0.724 -0.431 5.461 56 H MET 12 H MET 12 0.152 -5.493 -0.716 57 HA MET 12 HA MET 12 2.145 -7.031 -2.241 58 HB2 MET 12 1HB MET 12 0.396 -8.446 -1.364 59 HB3 MET 12 2HB MET 12 -0.847 -7.381 -2.007 60 HG2 MET 12 1HG MET 12 -0.850 -9.069 -3.551 61 HG3 MET 12 2HG MET 12 0.258 -7.920 -4.297 62 HE1 MET 12 3HE MET 12 3.017 -8.913 -4.973 63 HE2 MET 12 1HE MET 12 2.418 -10.459 -5.576 64 HE3 MET 12 2HE MET 12 1.428 -9.008 -5.735 65 H THR 13 H THR 13 2.693 -6.297 -4.179 66 HA THR 13 HA THR 13 1.309 -4.042 -5.328 67 HB THR 13 HB THR 13 3.094 -3.849 -6.848 68 HG1 THR 13 1HG THR 13 4.006 -5.555 -7.705 69 HG21 THR 13 3HG2 THR 13 4.067 -4.944 -4.218 70 HG22 THR 13 1HG2 THR 13 3.908 -3.258 -4.707 71 HG23 THR 13 2HG2 THR 13 5.161 -4.270 -5.426 72 H CYS 14 H CYS 14 -0.133 -4.067 -6.938 73 HA CYS 14 HA CYS 14 -0.596 -6.623 -8.327 74 HB2 CYS 14 1HB CYS 14 -2.407 -5.664 -6.755 75 HB3 CYS 14 2HB CYS 14 -2.673 -4.468 -8.018 76 HG CYS 14 HG CYS 14 -2.696 -7.307 -9.543 77 H SER 15 H SER 15 0.290 -3.367 -8.676 78 HA SER 15 HA SER 15 0.043 -3.601 -11.599 79 HB2 SER 15 1HB SER 15 -0.148 -0.946 -11.360 80 HB3 SER 15 2HB SER 15 -1.568 -1.991 -11.323 81 HG SER 15 HG SER 15 -0.260 -1.511 -8.910 82 H ALA 16 H ALA 16 1.779 -2.937 -12.778 83 HA ALA 16 HA ALA 16 4.276 -2.667 -11.411 84 HB1 ALA 16 3HB ALA 16 3.553 -2.495 -14.331 85 HB2 ALA 16 1HB ALA 16 5.204 -2.414 -13.716 86 HB3 ALA 16 2HB ALA 16 4.243 -3.873 -13.473 87 H TYR 17 H TYR 17 4.983 -0.846 -10.532 88 HA TYR 17 HA TYR 17 4.030 1.721 -11.560 89 HB2 TYR 17 1HB TYR 17 3.757 1.681 -9.243 90 HB3 TYR 17 2HB TYR 17 5.277 0.834 -8.978 91 HD1 TYR 17 2HD TYR 17 7.427 2.078 -9.169 92 HD2 TYR 17 1HD TYR 17 3.663 4.057 -9.306 93 HE1 TYR 17 2HE TYR 17 8.541 4.219 -8.694 94 HE2 TYR 17 1HE TYR 17 4.767 6.203 -8.833 95 HH TYR 17 HH TYR 17 8.011 6.411 -7.794 96 H GLN 18 H GLN 18 5.443 3.414 -12.104 97 HA GLN 18 HA GLN 18 8.121 2.505 -12.908 98 HB2 GLN 18 1HB GLN 18 6.334 3.427 -14.582 99 HB3 GLN 18 2HB GLN 18 6.835 4.996 -13.965 100 HG2 GLN 18 1HG GLN 18 8.177 4.744 -15.814 101 HG3 GLN 18 2HG GLN 18 9.225 4.179 -14.515 102 HE21 GLN 18 1HE2 GLN 18 10.310 2.426 -15.005 103 HE22 GLN 18 2HE2 GLN 18 9.782 1.150 -16.044 104 H LYS 19 H LYS 19 9.931 3.613 -12.316 105 HA LYS 19 HA LYS 19 9.688 5.369 -10.044 106 HB2 LYS 19 1HB LYS 19 12.192 5.352 -10.119 107 HB3 LYS 19 2HB LYS 19 11.459 3.758 -9.988 108 HG2 LYS 19 1HG LYS 19 12.023 3.175 -12.152 109 HG3 LYS 19 2HG LYS 19 12.197 4.854 -12.668 110 HD2 LYS 19 1HD LYS 19 14.023 3.605 -10.632 111 HD3 LYS 19 2HD LYS 19 14.338 3.503 -12.366 112 HE2 LYS 19 1HE LYS 19 13.756 6.174 -11.196 113 HE3 LYS 19 2HE LYS 19 15.332 5.452 -10.874 114 HZ1 LYS 19 3HZ LYS 19 14.395 5.441 -13.639 115 HZ2 LYS 19 1HZ LYS 19 15.961 5.634 -13.027 116 HZ3 LYS 19 2HZ LYS 19 14.874 6.930 -12.995 117 H VAL 20 H VAL 20 9.636 7.515 -10.087 118 HA VAL 20 HA VAL 20 9.872 8.927 -12.585 119 HB VAL 20 HB VAL 20 9.396 9.957 -9.785 120 HG11 VAL 20 1HG1 VAL 20 10.395 11.674 -11.201 121 HG12 VAL 20 2HG1 VAL 20 9.166 11.385 -12.433 122 HG13 VAL 20 3HG1 VAL 20 8.704 12.042 -10.862 123 HG21 VAL 20 3HG2 VAL 20 7.422 8.928 -10.169 124 HG22 VAL 20 1HG2 VAL 20 7.095 10.376 -11.121 125 HG23 VAL 20 2HG2 VAL 20 7.651 8.904 -11.917 126 H GLN 21 H GLN 21 11.544 9.141 -9.441 127 HA GLN 21 HA GLN 21 13.855 10.289 -10.865 128 HB2 GLN 21 1HB GLN 21 13.074 10.769 -7.985 129 HB3 GLN 21 2HB GLN 21 14.413 11.518 -8.845 130 HG2 GLN 21 1HG GLN 21 12.453 12.279 -10.459 131 HG3 GLN 21 2HG GLN 21 11.510 12.084 -8.983 132 HE21 GLN 21 1HE2 GLN 21 11.188 14.405 -9.241 133 HE22 GLN 21 2HE2 GLN 21 12.377 15.488 -8.610 134 H ASP 22 H ASP 22 15.958 9.920 -9.687 135 HA ASP 22 HA ASP 22 16.549 7.228 -9.524 136 HB2 ASP 22 1HB ASP 22 18.603 8.018 -8.204 137 HB3 ASP 22 2HB ASP 22 18.370 8.693 -9.814 138 H SER 23 H SER 23 15.311 9.363 -7.065 139 HA SER 23 HA SER 23 15.906 7.732 -4.822 140 HB2 SER 23 1HB SER 23 13.807 9.875 -5.221 141 HB3 SER 23 2HB SER 23 14.172 9.122 -3.668 142 HG SER 23 HG SER 23 16.469 9.839 -4.390 143 H GLU 24 H GLU 24 13.392 7.702 -7.209 144 HA GLU 24 HA GLU 24 11.721 5.894 -5.658 145 HB2 GLU 24 1HB GLU 24 11.425 7.220 -8.343 146 HB3 GLU 24 2HB GLU 24 10.336 5.941 -7.826 147 HG2 GLU 24 1HG GLU 24 9.226 7.910 -7.277 148 HG3 GLU 24 2HG GLU 24 9.919 7.358 -5.753 149 H ILE 25 H ILE 25 10.940 3.872 -6.694 150 HA ILE 25 HA ILE 25 12.886 2.644 -8.507 151 HB ILE 25 HB ILE 25 13.776 1.771 -6.566 152 HG12 ILE 25 1HG1 ILE 25 12.738 0.019 -8.193 153 HG13 ILE 25 2HG1 ILE 25 13.341 -0.516 -6.629 154 HG21 ILE 25 1HG2 ILE 25 11.897 0.801 -4.853 155 HG22 ILE 25 2HG2 ILE 25 12.664 2.382 -4.718 156 HG23 ILE 25 3HG2 ILE 25 11.089 2.230 -5.497 157 HD11 ILE 25 3HD1 ILE 25 10.850 -1.017 -7.692 158 HD12 ILE 25 1HD1 ILE 25 11.339 -1.239 -6.012 159 HD13 ILE 25 2HD1 ILE 25 10.556 0.260 -6.512 160 H SER 26 H SER 26 12.032 1.199 -9.926 161 HA SER 26 HA SER 26 9.123 0.996 -9.969 162 HB2 SER 26 1HB SER 26 9.412 0.204 -12.273 163 HB3 SER 26 2HB SER 26 10.285 1.714 -12.020 164 HG SER 26 HG SER 26 12.022 0.698 -12.581 165 H PHE 27 H PHE 27 7.999 -0.855 -9.709 166 HA PHE 27 HA PHE 27 9.504 -3.368 -9.449 167 HB2 PHE 27 1HB PHE 27 7.859 -3.940 -7.570 168 HB3 PHE 27 2HB PHE 27 9.136 -2.788 -7.193 169 HD1 PHE 27 1HD PHE 27 5.558 -3.069 -8.093 170 HD2 PHE 27 2HD PHE 27 8.630 -0.626 -6.447 171 HE1 PHE 27 1HE PHE 27 3.865 -1.444 -7.353 172 HE2 PHE 27 2HE PHE 27 6.943 1.002 -5.704 173 HZ PHE 27 HZ PHE 27 4.556 0.594 -6.156 174 HA PRO 28 HA PRO 28 6.441 -5.004 -12.152 175 HB2 PRO 28 1HB PRO 28 6.687 -7.639 -11.546 176 HB3 PRO 28 2HB PRO 28 7.891 -6.754 -12.491 177 HG2 PRO 28 1HG PRO 28 7.916 -7.468 -9.584 178 HG3 PRO 28 2HG PRO 28 9.234 -7.550 -10.768 179 HD2 PRO 28 1HD PRO 28 8.998 -5.521 -8.990 180 HD3 PRO 28 2HD PRO 28 9.684 -5.295 -10.612 181 H ALA 29 H ALA 29 4.523 -6.522 -12.110 182 HA ALA 29 HA ALA 29 2.964 -5.967 -9.707 183 HB1 ALA 29 3HB ALA 29 1.305 -5.645 -11.142 184 HB2 ALA 29 1HB ALA 29 2.385 -6.059 -12.474 185 HB3 ALA 29 2HB ALA 29 1.430 -7.317 -11.688 186 H GLY 30 H GLY 30 3.192 -7.444 -8.141 187 HA2 GLY 30 1HA GLY 30 2.163 -9.702 -7.628 188 HA3 GLY 30 2HA GLY 30 3.199 -10.292 -8.919 189 H VAL 31 H VAL 31 4.438 -7.798 -6.893 190 HA VAL 31 HA VAL 31 6.077 -9.788 -5.462 191 HB VAL 31 HB VAL 31 7.893 -8.103 -5.416 192 HG11 VAL 31 1HG1 VAL 31 7.991 -9.833 -7.077 193 HG12 VAL 31 2HG1 VAL 31 6.900 -8.939 -8.137 194 HG13 VAL 31 3HG1 VAL 31 8.519 -8.320 -7.811 195 HG21 VAL 31 3HG2 VAL 31 7.065 -6.001 -5.698 196 HG22 VAL 31 1HG2 VAL 31 7.521 -6.336 -7.369 197 HG23 VAL 31 2HG2 VAL 31 5.842 -6.518 -6.859 198 H GLU 32 H GLU 32 6.714 -9.277 -3.323 199 HA GLU 32 HA GLU 32 4.819 -7.509 -1.967 200 HB2 GLU 32 1HB GLU 32 5.138 -9.919 -1.263 201 HB3 GLU 32 2HB GLU 32 6.740 -9.461 -0.701 202 HG2 GLU 32 1HG GLU 32 5.899 -8.133 1.009 203 HG3 GLU 32 2HG GLU 32 4.307 -8.013 0.262 204 H VAL 33 H VAL 33 5.429 -5.817 -0.672 205 HA VAL 33 HA VAL 33 8.299 -5.181 -0.548 206 HB VAL 33 HB VAL 33 7.721 -2.775 -0.872 207 HG11 VAL 33 1HG1 VAL 33 8.674 -3.691 -2.760 208 HG12 VAL 33 2HG1 VAL 33 7.344 -4.822 -3.014 209 HG13 VAL 33 3HG1 VAL 33 7.133 -3.112 -3.391 210 HG21 VAL 33 3HG2 VAL 33 5.404 -2.733 -2.277 211 HG22 VAL 33 1HG2 VAL 33 5.027 -3.938 -1.046 212 HG23 VAL 33 2HG2 VAL 33 5.537 -2.319 -0.568 213 H GLN 34 H GLN 34 8.454 -3.051 0.939 214 HA GLN 34 HA GLN 34 6.797 -3.534 3.323 215 HB2 GLN 34 1HB GLN 34 9.188 -4.454 3.424 216 HB3 GLN 34 2HB GLN 34 9.706 -2.774 3.474 217 HG2 GLN 34 1HG GLN 34 8.327 -2.450 5.497 218 HG3 GLN 34 2HG GLN 34 7.932 -4.168 5.465 219 HE21 GLN 34 1HE2 GLN 34 9.237 -5.524 6.490 220 HE22 GLN 34 2HE2 GLN 34 10.809 -5.142 7.097 221 H VAL 35 H VAL 35 5.672 -1.784 3.825 222 HA VAL 35 HA VAL 35 6.409 0.807 2.777 223 HB VAL 35 HB VAL 35 4.071 -0.083 4.465 224 HG11 VAL 35 1HG1 VAL 35 4.998 2.613 3.671 225 HG12 VAL 35 2HG1 VAL 35 3.270 2.286 3.529 226 HG13 VAL 35 3HG1 VAL 35 4.079 2.100 5.085 227 HG21 VAL 35 3HG2 VAL 35 2.778 0.243 2.436 228 HG22 VAL 35 1HG2 VAL 35 4.223 0.775 1.577 229 HG23 VAL 35 2HG2 VAL 35 4.095 -0.891 2.141 230 H LEU 36 H LEU 36 8.090 1.733 3.810 231 HA LEU 36 HA LEU 36 8.621 1.465 6.579 232 HB2 LEU 36 1HB LEU 36 9.584 3.586 4.666 233 HB3 LEU 36 2HB LEU 36 10.287 3.206 6.237 234 HG LEU 36 HG LEU 36 10.218 1.300 3.900 235 HD11 LEU 36 1HD1 LEU 36 12.715 1.817 3.891 236 HD12 LEU 36 2HD1 LEU 36 12.297 3.262 4.811 237 HD13 LEU 36 3HD1 LEU 36 11.634 3.024 3.194 238 HD21 LEU 36 3HD2 LEU 36 12.072 1.104 6.223 239 HD22 LEU 36 1HD2 LEU 36 11.435 -0.164 5.176 240 HD23 LEU 36 2HD2 LEU 36 10.405 0.559 6.413 241 H GLU 37 H GLU 37 7.610 4.357 4.743 242 HA GLU 37 HA GLU 37 6.002 5.172 7.060 243 HB2 GLU 37 1HB GLU 37 8.276 6.342 6.943 244 HB3 GLU 37 2HB GLU 37 7.663 7.145 5.504 245 HG2 GLU 37 1HG GLU 37 5.938 8.218 6.738 246 HG3 GLU 37 2HG GLU 37 6.284 7.252 8.172 247 H LYS 38 H LYS 38 4.481 6.981 6.483 248 HA LYS 38 HA LYS 38 3.619 6.790 3.673 249 HB2 LYS 38 1HB LYS 38 1.950 6.584 6.174 250 HB3 LYS 38 2HB LYS 38 1.249 6.994 4.614 251 HG2 LYS 38 1HG LYS 38 2.292 4.848 3.749 252 HG3 LYS 38 2HG LYS 38 2.583 4.437 5.440 253 HD2 LYS 38 1HD LYS 38 0.094 4.886 5.797 254 HD3 LYS 38 2HD LYS 38 -0.044 4.849 4.037 255 HE2 LYS 38 1HE LYS 38 0.699 2.597 3.942 256 HE3 LYS 38 2HE LYS 38 1.205 2.622 5.631 257 HZ1 LYS 38 3HZ LYS 38 -1.249 3.066 6.111 258 HZ2 LYS 38 1HZ LYS 38 -0.809 1.496 5.656 259 HZ3 LYS 38 2HZ LYS 38 -1.533 2.531 4.531 260 H GLN 39 H GLN 39 2.748 8.638 2.757 261 HA GLN 39 HA GLN 39 3.095 11.093 4.345 262 HB2 GLN 39 1HB GLN 39 3.404 10.580 1.389 263 HB3 GLN 39 2HB GLN 39 3.312 12.200 2.067 264 HG2 GLN 39 1HG GLN 39 5.330 10.236 3.072 265 HG3 GLN 39 2HG GLN 39 5.621 11.164 1.601 266 HE21 GLN 39 1HE2 GLN 39 7.256 11.386 3.804 267 HE22 GLN 39 2HE2 GLN 39 7.073 12.958 4.497 268 H GLU 40 H GLU 40 1.404 12.407 4.650 269 HA GLU 40 HA GLU 40 -1.196 11.702 4.373 270 HB2 GLU 40 1HB GLU 40 -0.321 13.712 5.589 271 HB3 GLU 40 2HB GLU 40 -0.218 14.540 4.042 272 HG2 GLU 40 1HG GLU 40 -2.619 14.328 3.745 273 HG3 GLU 40 2HG GLU 40 -2.741 13.449 5.268 274 H SER 41 H SER 41 0.804 13.273 1.935 275 HA SER 41 HA SER 41 -1.100 13.985 0.069 276 HB2 SER 41 1HB SER 41 1.525 14.217 0.074 277 HB3 SER 41 2HB SER 41 1.452 12.733 -0.876 278 HG SER 41 HG SER 41 1.360 14.893 -1.993 279 H GLY 42 H GLY 42 0.727 10.914 0.100 280 HA2 GLY 42 1HA GLY 42 -1.187 9.063 -0.139 281 HA3 GLY 42 2HA GLY 42 -1.179 9.745 -1.759 282 H TRP 43 H TRP 43 1.858 10.200 -1.104 283 HA TRP 43 HA TRP 43 2.684 7.708 -2.344 284 HB2 TRP 43 1HB TRP 43 4.115 10.298 -1.751 285 HB3 TRP 43 2HB TRP 43 4.946 8.883 -2.392 286 HD1 TRP 43 HD TRP 43 2.223 11.428 -3.374 287 HE1 TRP 43 1HE TRP 43 2.070 11.493 -5.943 288 HE3 TRP 43 3HE TRP 43 5.441 7.611 -4.475 289 HZ2 TRP 43 2HZ TRP 43 3.167 10.108 -8.144 290 HZ3 TRP 43 3HZ TRP 43 5.833 7.044 -6.837 291 HH2 TRP 43 HH TRP 43 4.719 8.267 -8.632 292 H TRP 44 H TRP 44 3.464 6.034 -1.256 293 HA TRP 44 HA TRP 44 4.398 6.468 1.501 294 HB2 TRP 44 1HB TRP 44 3.450 3.878 0.260 295 HB3 TRP 44 2HB TRP 44 3.797 4.173 1.962 296 HD1 TRP 44 HD TRP 44 2.108 7.172 1.327 297 HE1 TRP 44 1HE TRP 44 -0.435 7.022 1.695 298 HE3 TRP 44 3HE TRP 44 1.574 2.088 1.237 299 HZ2 TRP 44 2HZ TRP 44 -2.406 5.014 1.918 300 HZ3 TRP 44 3HZ TRP 44 -0.674 1.134 1.536 301 HH2 TRP 44 HH TRP 44 -2.621 2.568 1.870 302 H TYR 45 H TYR 45 6.356 5.672 2.174 303 HA TYR 45 HA TYR 45 8.287 5.148 0.090 304 HB2 TYR 45 1HB TYR 45 8.590 6.573 2.253 305 HB3 TYR 45 2HB TYR 45 8.906 5.023 3.025 306 HD1 TYR 45 1HD TYR 45 9.883 6.308 -0.341 307 HD2 TYR 45 2HD TYR 45 11.180 4.955 3.479 308 HE1 TYR 45 1HE TYR 45 12.219 6.411 -1.104 309 HE2 TYR 45 2HE TYR 45 13.519 5.056 2.727 310 HH TYR 45 HH TYR 45 14.834 5.132 0.806 311 H VAL 46 H VAL 46 8.367 3.157 -0.727 312 HA VAL 46 HA VAL 46 8.086 0.863 1.093 313 HB VAL 46 HB VAL 46 7.906 -0.403 -1.172 314 HG11 VAL 46 1HG1 VAL 46 6.064 -0.312 0.332 315 HG12 VAL 46 2HG1 VAL 46 5.750 1.380 -0.057 316 HG13 VAL 46 3HG1 VAL 46 5.454 0.127 -1.263 317 HG21 VAL 46 3HG2 VAL 46 7.220 0.802 -3.060 318 HG22 VAL 46 1HG2 VAL 46 6.918 2.267 -2.124 319 HG23 VAL 46 2HG2 VAL 46 8.573 1.734 -2.418 320 H ARG 47 H ARG 47 9.398 -1.097 0.392 321 HA ARG 47 HA ARG 47 12.040 -0.321 -0.628 322 HB2 ARG 47 1HB ARG 47 12.181 -0.331 1.814 323 HB3 ARG 47 2HB ARG 47 11.527 -1.963 1.857 324 HG2 ARG 47 1HG ARG 47 13.476 -2.912 1.081 325 HG3 ARG 47 2HG ARG 47 14.022 -1.417 0.319 326 HD2 ARG 47 1HD ARG 47 15.393 -1.744 2.222 327 HD3 ARG 47 2HD ARG 47 14.261 -0.457 2.634 328 HE ARG 47 HE ARG 47 13.131 -2.846 3.486 329 HH11 ARG 47 1HH1 ARG 47 15.944 -0.914 4.176 330 HH12 ARG 47 2HH1 ARG 47 16.051 -1.426 5.827 331 HH21 ARG 47 1HH2 ARG 47 13.263 -3.528 5.659 332 HH22 ARG 47 2HH2 ARG 47 14.526 -2.914 6.670 333 H PHE 48 H PHE 48 12.612 -1.580 -2.263 334 HA PHE 48 HA PHE 48 11.488 -4.300 -2.402 335 HB2 PHE 48 1HB PHE 48 10.704 -2.762 -4.188 336 HB3 PHE 48 2HB PHE 48 12.374 -2.545 -4.701 337 HD1 PHE 48 2HD PHE 48 10.385 -5.555 -3.752 338 HD2 PHE 48 1HD PHE 48 12.696 -3.572 -6.726 339 HE1 PHE 48 2HE PHE 48 10.187 -7.524 -5.214 340 HE2 PHE 48 1HE PHE 48 12.500 -5.538 -8.193 341 HZ PHE 48 HZ PHE 48 11.245 -7.518 -7.437 342 H GLY 49 H GLY 49 13.105 -5.464 -1.444 343 HA2 GLY 49 1HA GLY 49 15.053 -6.696 -1.445 344 HA3 GLY 49 2HA GLY 49 15.422 -6.012 -3.021 345 H GLU 50 H GLU 50 16.919 -4.433 -3.178 346 HA GLU 50 HA GLU 50 18.025 -3.395 -0.650 347 HB2 GLU 50 1HB GLU 50 19.497 -4.990 -1.926 348 HB3 GLU 50 2HB GLU 50 19.544 -3.808 -3.227 349 HG2 GLU 50 1HG GLU 50 20.742 -2.266 -1.937 350 HG3 GLU 50 2HG GLU 50 20.373 -3.110 -0.433 351 H LEU 51 H LEU 51 15.897 -2.236 -2.284 352 HA LEU 51 HA LEU 51 17.111 0.389 -2.677 353 HB2 LEU 51 1HB LEU 51 15.322 -0.894 -4.736 354 HB3 LEU 51 2HB LEU 51 16.008 0.728 -4.809 355 HG LEU 51 HG LEU 51 17.733 -1.734 -4.762 356 HD11 LEU 51 1HD1 LEU 51 17.631 -1.983 -7.034 357 HD12 LEU 51 2HD1 LEU 51 17.097 -0.325 -7.306 358 HD13 LEU 51 3HD1 LEU 51 15.963 -1.526 -6.690 359 HD21 LEU 51 3HD2 LEU 51 18.204 1.075 -5.756 360 HD22 LEU 51 1HD2 LEU 51 19.376 -0.243 -5.751 361 HD23 LEU 51 2HD2 LEU 51 18.786 0.417 -4.226 362 H GLU 52 H GLU 52 15.756 2.096 -2.240 363 HA GLU 52 HA GLU 52 13.017 1.408 -1.400 364 HB2 GLU 52 1HB GLU 52 15.035 3.192 -0.050 365 HB3 GLU 52 2HB GLU 52 13.314 3.301 0.292 366 HG2 GLU 52 1HG GLU 52 13.261 1.317 1.404 367 HG3 GLU 52 2HG GLU 52 14.595 0.634 0.476 368 H GLY 53 H GLY 53 11.502 2.460 -2.496 369 HA2 GLY 53 1HA GLY 53 12.094 5.174 -3.474 370 HA3 GLY 53 2HA GLY 53 11.455 3.967 -4.580 371 H TRP 54 H TRP 54 10.164 6.383 -4.129 372 HA TRP 54 HA TRP 54 7.988 5.854 -2.270 373 HB2 TRP 54 1HB TRP 54 8.636 8.231 -4.021 374 HB3 TRP 54 2HB TRP 54 7.202 8.132 -3.003 375 HD1 TRP 54 HD TRP 54 11.012 8.485 -2.777 376 HE1 TRP 54 1HE TRP 54 11.616 9.345 -0.428 377 HE3 TRP 54 3HE TRP 54 6.394 8.214 -0.602 378 HZ2 TRP 54 2HZ TRP 54 10.308 9.842 2.024 379 HZ3 TRP 54 3HZ TRP 54 6.156 8.900 1.749 380 HH2 TRP 54 HH TRP 54 8.074 9.696 3.033 381 H ALA 55 H ALA 55 6.289 4.711 -2.896 382 HA ALA 55 HA ALA 55 5.428 4.896 -5.710 383 HB1 ALA 55 3HB ALA 55 4.706 2.485 -4.156 384 HB2 ALA 55 1HB ALA 55 5.126 2.655 -5.860 385 HB3 ALA 55 2HB ALA 55 6.395 2.653 -4.634 386 HA PRO 56 HA PRO 56 1.531 6.319 -4.251 387 HB2 PRO 56 1HB PRO 56 -0.052 5.508 -6.303 388 HB3 PRO 56 2HB PRO 56 1.073 6.865 -6.436 389 HG2 PRO 56 1HG PRO 56 1.403 4.033 -7.350 390 HG3 PRO 56 2HG PRO 56 1.830 5.537 -8.188 391 HD2 PRO 56 1HD PRO 56 3.661 4.020 -6.892 392 HD3 PRO 56 2HD PRO 56 3.792 5.787 -7.003 393 H SER 57 H SER 57 -0.014 5.569 -2.922 394 HA SER 57 HA SER 57 -0.117 2.874 -2.156 395 HB2 SER 57 1HB SER 57 -1.965 3.501 -0.736 396 HB3 SER 57 2HB SER 57 -0.799 4.824 -0.736 397 HG SER 57 HG SER 57 -2.140 6.032 -1.933 398 H HIS 58 H HIS 58 -1.926 4.684 -4.526 399 HA HIS 58 HA HIS 58 -4.139 3.053 -4.892 400 HB2 HIS 58 1HB HIS 58 -2.683 4.354 -7.186 401 HB3 HIS 58 2HB HIS 58 -4.414 4.084 -7.004 402 HD1 HIS 58 1HD HIS 58 -1.724 6.493 -6.236 403 HD2 HIS 58 2HD HIS 58 -5.706 5.898 -5.210 404 HE1 HIS 58 1HE HIS 58 -2.481 8.654 -5.196 405 HE2 HIS 58 2HE HIS 58 -4.868 8.241 -4.506 406 H TYR 59 H TYR 59 -0.850 2.685 -6.086 407 HA TYR 59 HA TYR 59 -1.505 0.403 -7.721 408 HB2 TYR 59 1HB TYR 59 1.091 1.729 -6.952 409 HB3 TYR 59 2HB TYR 59 1.040 0.244 -7.896 410 HD1 TYR 59 1HD TYR 59 -0.643 3.589 -7.927 411 HD2 TYR 59 2HD TYR 59 1.246 0.507 -10.171 412 HE1 TYR 59 1HE TYR 59 -0.934 4.913 -9.980 413 HE2 TYR 59 2HE TYR 59 0.962 1.822 -12.229 414 HH TYR 59 HH TYR 59 -0.350 3.595 -13.114 415 H LEU 60 H LEU 60 -0.651 0.970 -4.450 416 HA LEU 60 HA LEU 60 0.232 -1.776 -4.016 417 HB2 LEU 60 1HB LEU 60 0.037 0.617 -2.200 418 HB3 LEU 60 2HB LEU 60 0.512 -0.987 -1.645 419 HG LEU 60 HG LEU 60 2.005 0.604 -3.728 420 HD11 LEU 60 1HD1 LEU 60 1.891 1.015 -0.942 421 HD12 LEU 60 2HD1 LEU 60 2.998 1.742 -2.107 422 HD13 LEU 60 3HD1 LEU 60 3.440 0.244 -1.288 423 HD21 LEU 60 3HD2 LEU 60 2.832 -1.440 -4.148 424 HD22 LEU 60 1HD2 LEU 60 2.231 -2.107 -2.630 425 HD23 LEU 60 2HD2 LEU 60 3.738 -1.191 -2.655 426 H VAL 61 H VAL 61 -0.948 -3.322 -3.019 427 HA VAL 61 HA VAL 61 -3.775 -2.765 -2.600 428 HB VAL 61 HB VAL 61 -2.294 -5.397 -2.485 429 HG11 VAL 61 1HG1 VAL 61 -4.160 -6.165 -1.546 430 HG12 VAL 61 2HG1 VAL 61 -4.996 -4.631 -1.795 431 HG13 VAL 61 3HG1 VAL 61 -4.971 -5.842 -3.078 432 HG21 VAL 61 3HG2 VAL 61 -4.020 -4.291 -4.696 433 HG22 VAL 61 1HG2 VAL 61 -2.256 -4.284 -4.706 434 HG23 VAL 61 2HG2 VAL 61 -3.132 -5.814 -4.700 435 H LEU 62 H LEU 62 -4.753 -2.664 -0.669 436 HA LEU 62 HA LEU 62 -3.115 -2.720 1.712 437 HB2 LEU 62 1HB LEU 62 -6.077 -2.229 1.472 438 HB3 LEU 62 2HB LEU 62 -5.047 -1.847 2.851 439 HG LEU 62 HG LEU 62 -5.568 0.184 1.699 440 HD11 LEU 62 1HD1 LEU 62 -3.364 0.165 2.579 441 HD12 LEU 62 2HD1 LEU 62 -3.274 0.901 0.979 442 HD13 LEU 62 3HD1 LEU 62 -2.755 -0.768 1.211 443 HD21 LEU 62 3HD2 LEU 62 -5.463 0.529 -0.566 444 HD22 LEU 62 1HD2 LEU 62 -5.923 -1.173 -0.519 445 HD23 LEU 62 2HD2 LEU 62 -4.243 -0.721 -0.812 446 H ASP 63 H ASP 63 -4.119 -3.757 3.722 447 HA ASP 63 HA ASP 63 -4.817 -6.523 3.033 448 HB2 ASP 63 1HB ASP 63 -4.196 -6.898 5.508 449 HB3 ASP 63 2HB ASP 63 -2.894 -6.544 4.375 450 H GLU 64 H GLU 64 -7.049 -5.953 2.642 451 HA GLU 64 HA GLU 64 -8.575 -5.731 5.149 452 HB2 GLU 64 1HB GLU 64 -8.839 -4.167 2.628 453 HB3 GLU 64 2HB GLU 64 -10.316 -4.608 3.473 454 HG2 GLU 64 1HG GLU 64 -8.047 -3.271 4.896 455 HG3 GLU 64 2HG GLU 64 -9.248 -2.346 3.997 456 H ASN 65 H ASN 65 -7.819 -8.129 3.848 457 HA ASN 65 HA ASN 65 -10.380 -9.058 2.731 458 HB2 ASN 65 1HB ASN 65 -8.352 -9.268 1.265 459 HB3 ASN 65 2HB ASN 65 -7.676 -10.382 2.450 460 HD21 ASN 65 1HD2 ASN 65 -7.622 -12.083 1.007 461 HD22 ASN 65 2HD2 ASN 65 -9.051 -12.896 0.475 462 H GLU 66 H GLU 66 -9.504 -8.769 5.597 463 HA GLU 66 HA GLU 66 -10.125 -11.528 6.400 464 HB2 GLU 66 1HB GLU 66 -7.874 -9.799 7.287 465 HB3 GLU 66 2HB GLU 66 -8.665 -10.783 8.510 466 HG2 GLU 66 1HG GLU 66 -8.272 -12.770 7.046 467 HG3 GLU 66 2HG GLU 66 -7.300 -11.730 6.006 468 H GLN 67 H GLN 67 -11.277 -11.739 8.378 469 HA GLN 67 HA GLN 67 -12.571 -9.251 9.281 470 HB2 GLN 67 1HB GLN 67 -13.759 -11.955 8.716 471 HB3 GLN 67 2HB GLN 67 -14.554 -10.819 9.798 472 HG2 GLN 67 1HG GLN 67 -15.445 -10.724 7.521 473 HG3 GLN 67 2HG GLN 67 -14.732 -9.193 8.026 474 HE21 GLN 67 1HE2 GLN 67 -13.707 -12.216 6.469 475 HE22 GLN 67 2HE2 GLN 67 -12.763 -11.459 5.236 476 HA PRO 68 HA PRO 68 -10.510 -11.106 12.943 477 HB2 PRO 68 1HB PRO 68 -9.918 -8.713 14.081 478 HB3 PRO 68 2HB PRO 68 -8.895 -9.474 12.857 479 HG2 PRO 68 1HG PRO 68 -10.926 -7.297 12.543 480 HG3 PRO 68 2HG PRO 68 -9.309 -7.430 11.827 481 HD2 PRO 68 1HD PRO 68 -11.564 -8.027 10.452 482 HD3 PRO 68 2HD PRO 68 -10.023 -8.862 10.168 483 H ASP 69 H ASP 69 -11.196 -11.194 15.106 484 HA ASP 69 HA ASP 69 -13.973 -10.565 15.501 485 HB2 ASP 69 1HB ASP 69 -13.845 -11.865 17.460 486 HB3 ASP 69 2HB ASP 69 -12.726 -12.644 16.345 487 HA PRO 70 HA PRO 70 -13.612 -6.712 17.573 488 HB2 PRO 70 1HB PRO 70 -15.732 -6.850 19.264 489 HB3 PRO 70 2HB PRO 70 -15.907 -6.615 17.521 490 HG2 PRO 70 1HG PRO 70 -16.180 -9.123 19.131 491 HG3 PRO 70 2HG PRO 70 -17.195 -8.530 17.803 492 HD2 PRO 70 1HD PRO 70 -15.308 -10.441 17.454 493 HD3 PRO 70 2HD PRO 70 -15.730 -9.272 16.185 494 H SER 71 H SER 71 -13.876 -5.827 19.964 495 HA SER 71 HA SER 71 -13.124 -7.556 22.092 496 HB2 SER 71 1HB SER 71 -10.998 -7.262 20.593 497 HB3 SER 71 2HB SER 71 -10.911 -5.671 21.348 498 HG SER 71 HG SER 71 -10.001 -6.668 22.947 499 H GLY 72 H GLY 72 -12.207 -6.114 23.992 500 HA2 GLY 72 1HA GLY 72 -13.982 -3.768 24.105 501 HA3 GLY 72 2HA GLY 72 -13.410 -4.678 25.495 502 H LYS 73 H LYS 73 -11.717 -3.216 22.726 503 HA LYS 73 HA LYS 73 -9.687 -2.168 24.493 504 HB2 LYS 73 1HB LYS 73 -9.353 -3.126 22.117 505 HB3 LYS 73 2HB LYS 73 -9.919 -1.559 21.556 506 HG2 LYS 73 1HG LYS 73 -7.688 -1.161 21.562 507 HG3 LYS 73 2HG LYS 73 -8.056 -0.696 23.225 508 HD2 LYS 73 1HD LYS 73 -7.151 -3.456 22.419 509 HD3 LYS 73 2HD LYS 73 -6.053 -2.184 22.959 510 HE2 LYS 73 1HE LYS 73 -6.422 -3.238 24.949 511 HE3 LYS 73 2HE LYS 73 -7.747 -2.075 24.984 512 HZ1 LYS 73 3HZ LYS 73 -7.833 -4.972 24.502 513 HZ2 LYS 73 1HZ LYS 73 -9.028 -3.989 23.818 514 HZ3 LYS 73 2HZ LYS 73 -8.817 -4.019 25.495 515 H GLU 74 H GLU 74 -10.105 -0.385 25.622 516 HA GLU 74 HA GLU 74 -11.688 1.749 24.362 517 HB2 GLU 74 1HB GLU 74 -12.124 2.570 26.615 518 HB3 GLU 74 2HB GLU 74 -12.584 0.878 26.478 519 HG2 GLU 74 1HG GLU 74 -11.502 0.802 28.465 520 HG3 GLU 74 2HG GLU 74 -10.135 0.507 27.392 521 H SER 75 H SER 75 -8.719 1.111 26.169 522 HA SER 75 HA SER 75 -7.809 3.807 26.156 523 HB2 SER 75 1HB SER 75 -6.868 2.439 27.833 524 HB3 SER 75 2HB SER 75 -6.470 1.160 26.686 525 HG SER 75 HG SER 75 -4.660 2.477 27.364 526 H GLY 76 H GLY 76 -6.978 4.933 24.531 527 HA2 GLY 76 1HA GLY 76 -5.027 4.121 22.752 528 HA3 GLY 76 2HA GLY 76 -6.557 3.768 21.963 529 HA PRO 77 HA PRO 77 -5.202 8.292 21.428 530 HB2 PRO 77 1HB PRO 77 -4.468 8.160 18.818 531 HB3 PRO 77 2HB PRO 77 -3.336 7.891 20.148 532 HG2 PRO 77 1HG PRO 77 -4.772 5.888 18.449 533 HG3 PRO 77 2HG PRO 77 -3.083 5.891 18.990 534 HD2 PRO 77 1HD PRO 77 -4.995 4.392 20.186 535 HD3 PRO 77 2HD PRO 77 -3.620 5.075 21.078 536 H SER 78 H SER 78 -6.794 9.656 20.909 537 HA SER 78 HA SER 78 -9.305 9.104 20.210 538 HB2 SER 78 1HB SER 78 -8.203 11.404 20.645 539 HB3 SER 78 2HB SER 78 -8.001 11.478 18.895 540 HG SER 78 HG SER 78 -10.402 11.321 20.381 541 H SER 79 H SER 79 -10.430 8.346 18.532 542 HA SER 79 HA SER 79 -9.064 7.401 16.210 543 HB2 SER 79 1HB SER 79 -11.368 6.722 15.468 544 HB3 SER 79 2HB SER 79 -10.913 6.112 17.059 545 HG SER 79 HG SER 79 -12.940 6.942 17.277 546 H GLY 80 H GLY 80 -8.521 8.594 14.515 547 HA2 GLY 80 1HA GLY 80 -8.613 10.155 12.833 548 HA3 GLY 80 2HA GLY 80 -10.352 10.198 13.088 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -9.196 -0.171 20.189 2 HA2 GLY 1 1HA GLY 1 -7.434 1.091 18.952 3 HA3 GLY 1 2HA GLY 1 -6.280 0.025 19.740 4 H SER 2 H SER 2 -9.252 -0.245 17.785 5 HA SER 2 HA SER 2 -8.884 -2.782 16.794 6 HB2 SER 2 1HB SER 2 -10.096 -0.356 15.457 7 HB3 SER 2 2HB SER 2 -10.193 -1.982 14.782 8 HG SER 2 HG SER 2 -10.958 -2.258 17.239 9 H SER 3 H SER 3 -7.587 0.256 15.505 10 HA SER 3 HA SER 3 -6.056 -1.218 13.502 11 HB2 SER 3 1HB SER 3 -7.319 0.928 12.969 12 HB3 SER 3 2HB SER 3 -6.094 1.774 13.914 13 HG SER 3 HG SER 3 -5.440 1.791 11.790 14 H GLY 4 H GLY 4 -5.087 -2.017 15.796 15 HA2 GLY 4 1HA GLY 4 -2.803 -0.290 16.473 16 HA3 GLY 4 2HA GLY 4 -3.417 -1.604 17.465 17 H SER 5 H SER 5 -1.014 -0.681 15.352 18 HA SER 5 HA SER 5 -0.077 -3.441 15.141 19 HB2 SER 5 1HB SER 5 -0.761 -1.661 12.854 20 HB3 SER 5 2HB SER 5 0.696 -2.643 12.708 21 HG SER 5 HG SER 5 -1.960 -3.523 13.153 22 H SER 6 H SER 6 2.090 -3.654 15.362 23 HA SER 6 HA SER 6 3.601 -1.189 15.853 24 HB2 SER 6 1HB SER 6 5.059 -2.465 17.223 25 HB3 SER 6 2HB SER 6 3.437 -3.045 17.602 26 HG SER 6 HG SER 6 5.538 -4.332 16.338 27 H GLY 7 H GLY 7 5.497 -0.715 14.804 28 HA2 GLY 7 1HA GLY 7 7.258 -0.978 13.309 29 HA3 GLY 7 2HA GLY 7 6.698 -2.611 12.979 30 H ALA 8 H ALA 8 7.081 -2.203 10.738 31 HA ALA 8 HA ALA 8 5.344 -0.242 9.447 32 HB1 ALA 8 3HB ALA 8 7.595 -0.227 8.659 33 HB2 ALA 8 1HB ALA 8 7.572 -1.970 8.388 34 HB3 ALA 8 2HB ALA 8 6.589 -0.907 7.381 35 H THR 9 H THR 9 4.697 -1.263 7.091 36 HA THR 9 HA THR 9 3.376 -3.841 7.568 37 HB THR 9 HB THR 9 2.002 -1.348 6.552 38 HG1 THR 9 1HG THR 9 1.606 -1.238 8.636 39 HG21 THR 9 3HG2 THR 9 0.920 -4.161 6.758 40 HG22 THR 9 1HG2 THR 9 1.334 -3.335 5.256 41 HG23 THR 9 2HG2 THR 9 0.017 -2.730 6.261 42 H SER 10 H SER 10 3.544 -5.201 5.901 43 HA SER 10 HA SER 10 4.703 -4.192 3.412 44 HB2 SER 10 1HB SER 10 5.298 -6.493 2.939 45 HB3 SER 10 2HB SER 10 5.781 -6.112 4.591 46 HG SER 10 HG SER 10 4.660 -7.822 5.073 47 H TYR 11 H TYR 11 3.627 -4.126 1.538 48 HA TYR 11 HA TYR 11 0.928 -5.306 1.469 49 HB2 TYR 11 1HB TYR 11 1.985 -2.833 0.087 50 HB3 TYR 11 2HB TYR 11 0.391 -3.524 -0.197 51 HD1 TYR 11 2HD TYR 11 2.517 -2.362 2.652 52 HD2 TYR 11 1HD TYR 11 -1.386 -2.646 0.984 53 HE1 TYR 11 2HE TYR 11 1.624 -1.056 4.535 54 HE2 TYR 11 1HE TYR 11 -2.290 -1.340 2.862 55 HH TYR 11 HH TYR 11 -0.377 -0.571 5.654 56 H MET 12 H MET 12 0.170 -5.621 -0.893 57 HA MET 12 HA MET 12 2.342 -6.970 -2.356 58 HB2 MET 12 1HB MET 12 0.710 -8.558 -1.548 59 HB3 MET 12 2HB MET 12 -0.608 -7.609 -2.223 60 HG2 MET 12 1HG MET 12 -0.415 -9.234 -3.806 61 HG3 MET 12 2HG MET 12 0.665 -8.012 -4.474 62 HE1 MET 12 3HE MET 12 3.086 -10.653 -5.544 63 HE2 MET 12 1HE MET 12 1.402 -10.312 -5.944 64 HE3 MET 12 2HE MET 12 2.546 -8.985 -5.738 65 H THR 13 H THR 13 2.829 -6.252 -4.324 66 HA THR 13 HA THR 13 1.412 -4.023 -5.442 67 HB THR 13 HB THR 13 3.084 -4.040 -7.200 68 HG1 THR 13 1HG THR 13 4.291 -5.766 -7.624 69 HG21 THR 13 3HG2 THR 13 4.090 -4.496 -4.405 70 HG22 THR 13 1HG2 THR 13 3.899 -2.974 -5.273 71 HG23 THR 13 2HG2 THR 13 5.185 -4.093 -5.727 72 H CYS 14 H CYS 14 -0.225 -4.079 -6.829 73 HA CYS 14 HA CYS 14 -0.893 -6.628 -8.113 74 HB2 CYS 14 1HB CYS 14 -3.128 -5.742 -8.391 75 HB3 CYS 14 2HB CYS 14 -2.625 -5.514 -6.720 76 HG CYS 14 HG CYS 14 -3.734 -3.161 -6.928 77 H SER 15 H SER 15 0.533 -3.663 -8.798 78 HA SER 15 HA SER 15 0.435 -4.221 -11.652 79 HB2 SER 15 1HB SER 15 -0.786 -1.826 -10.361 80 HB3 SER 15 2HB SER 15 0.063 -1.595 -11.889 81 HG SER 15 HG SER 15 -2.054 -3.427 -11.413 82 H ALA 16 H ALA 16 2.256 -3.604 -12.729 83 HA ALA 16 HA ALA 16 4.588 -3.076 -11.222 84 HB1 ALA 16 3HB ALA 16 4.327 -4.243 -13.514 85 HB2 ALA 16 1HB ALA 16 4.435 -2.611 -14.175 86 HB3 ALA 16 2HB ALA 16 5.763 -3.263 -13.213 87 H TYR 17 H TYR 17 5.155 -1.208 -10.341 88 HA TYR 17 HA TYR 17 4.066 1.287 -11.361 89 HB2 TYR 17 1HB TYR 17 3.954 1.220 -9.028 90 HB3 TYR 17 2HB TYR 17 5.549 0.494 -8.874 91 HD1 TYR 17 1HD TYR 17 3.792 3.648 -9.730 92 HD2 TYR 17 2HD TYR 17 7.459 1.835 -8.560 93 HE1 TYR 17 1HE TYR 17 4.758 5.874 -9.332 94 HE2 TYR 17 2HE TYR 17 8.435 4.057 -8.157 95 HH TYR 17 HH TYR 17 6.809 6.977 -9.104 96 H GLN 18 H GLN 18 5.424 3.145 -11.766 97 HA GLN 18 HA GLN 18 8.093 2.398 -12.765 98 HB2 GLN 18 1HB GLN 18 6.358 2.953 -14.514 99 HB3 GLN 18 2HB GLN 18 6.341 4.591 -13.874 100 HG2 GLN 18 1HG GLN 18 7.752 4.363 -15.866 101 HG3 GLN 18 2HG GLN 18 8.658 4.891 -14.449 102 HE21 GLN 18 1HE2 GLN 18 10.537 3.943 -14.197 103 HE22 GLN 18 2HE2 GLN 18 10.965 2.358 -14.732 104 H LYS 19 H LYS 19 9.772 3.461 -11.943 105 HA LYS 19 HA LYS 19 9.320 5.536 -9.988 106 HB2 LYS 19 1HB LYS 19 11.724 5.388 -9.578 107 HB3 LYS 19 2HB LYS 19 10.993 3.789 -9.582 108 HG2 LYS 19 1HG LYS 19 12.839 3.370 -10.839 109 HG3 LYS 19 2HG LYS 19 11.719 3.844 -12.118 110 HD2 LYS 19 1HD LYS 19 13.504 5.160 -12.668 111 HD3 LYS 19 2HD LYS 19 12.669 6.251 -11.559 112 HE2 LYS 19 1HE LYS 19 14.167 5.817 -9.820 113 HE3 LYS 19 2HE LYS 19 14.756 4.336 -10.574 114 HZ1 LYS 19 3HZ LYS 19 15.310 7.126 -11.411 115 HZ2 LYS 19 1HZ LYS 19 15.694 5.780 -12.361 116 HZ3 LYS 19 2HZ LYS 19 16.417 5.979 -10.846 117 H VAL 20 H VAL 20 9.868 7.671 -10.133 118 HA VAL 20 HA VAL 20 10.441 8.660 -12.834 119 HB VAL 20 HB VAL 20 9.414 10.145 -10.411 120 HG11 VAL 20 1HG1 VAL 20 9.594 12.079 -11.530 121 HG12 VAL 20 2HG1 VAL 20 10.777 11.218 -12.517 122 HG13 VAL 20 3HG1 VAL 20 9.103 11.352 -13.059 123 HG21 VAL 20 3HG2 VAL 20 7.294 10.234 -11.654 124 HG22 VAL 20 1HG2 VAL 20 8.003 9.220 -12.911 125 HG23 VAL 20 2HG2 VAL 20 7.775 8.578 -11.285 126 H GLN 21 H GLN 21 11.373 9.347 -9.460 127 HA GLN 21 HA GLN 21 13.852 10.564 -10.442 128 HB2 GLN 21 1HB GLN 21 12.764 10.567 -7.625 129 HB3 GLN 21 2HB GLN 21 14.078 11.552 -8.255 130 HG2 GLN 21 1HG GLN 21 12.184 12.357 -9.917 131 HG3 GLN 21 2HG GLN 21 11.149 11.854 -8.582 132 HE21 GLN 21 1HE2 GLN 21 11.991 14.515 -9.782 133 HE22 GLN 21 2HE2 GLN 21 12.460 15.457 -8.411 134 H ASP 22 H ASP 22 15.881 10.021 -9.452 135 HA ASP 22 HA ASP 22 16.492 7.341 -9.404 136 HB2 ASP 22 1HB ASP 22 17.864 9.695 -8.114 137 HB3 ASP 22 2HB ASP 22 18.544 8.071 -8.054 138 H SER 23 H SER 23 15.283 9.345 -6.814 139 HA SER 23 HA SER 23 15.894 7.647 -4.650 140 HB2 SER 23 1HB SER 23 13.879 9.831 -5.086 141 HB3 SER 23 2HB SER 23 13.841 8.872 -3.607 142 HG SER 23 HG SER 23 16.194 10.142 -4.532 143 H GLU 24 H GLU 24 13.091 7.841 -6.794 144 HA GLU 24 HA GLU 24 11.599 5.833 -5.416 145 HB2 GLU 24 1HB GLU 24 11.282 6.868 -8.239 146 HB3 GLU 24 2HB GLU 24 10.102 5.907 -7.358 147 HG2 GLU 24 1HG GLU 24 9.491 7.647 -5.996 148 HG3 GLU 24 2HG GLU 24 11.033 8.480 -6.186 149 H ILE 25 H ILE 25 10.850 3.827 -6.607 150 HA ILE 25 HA ILE 25 12.905 2.657 -8.324 151 HB ILE 25 HB ILE 25 13.769 1.785 -6.372 152 HG12 ILE 25 1HG1 ILE 25 12.808 0.021 -8.033 153 HG13 ILE 25 2HG1 ILE 25 13.388 -0.510 -6.458 154 HG21 ILE 25 1HG2 ILE 25 11.891 0.765 -4.699 155 HG22 ILE 25 2HG2 ILE 25 12.593 2.375 -4.554 156 HG23 ILE 25 3HG2 ILE 25 11.041 2.160 -5.363 157 HD11 ILE 25 3HD1 ILE 25 10.949 -1.090 -7.569 158 HD12 ILE 25 1HD1 ILE 25 11.382 -1.259 -5.868 159 HD13 ILE 25 2HD1 ILE 25 10.575 0.205 -6.432 160 H SER 26 H SER 26 12.145 1.156 -9.751 161 HA SER 26 HA SER 26 9.241 0.882 -9.886 162 HB2 SER 26 1HB SER 26 9.591 0.163 -12.187 163 HB3 SER 26 2HB SER 26 10.486 1.654 -11.892 164 HG SER 26 HG SER 26 11.516 -0.987 -11.977 165 H PHE 27 H PHE 27 8.170 -1.003 -9.664 166 HA PHE 27 HA PHE 27 9.749 -3.466 -9.369 167 HB2 PHE 27 1HB PHE 27 8.070 -4.114 -7.558 168 HB3 PHE 27 2HB PHE 27 9.262 -2.892 -7.127 169 HD1 PHE 27 1HD PHE 27 5.740 -3.423 -8.093 170 HD2 PHE 27 2HD PHE 27 8.610 -0.715 -6.496 171 HE1 PHE 27 1HE PHE 27 3.927 -1.899 -7.429 172 HE2 PHE 27 2HE PHE 27 6.801 0.813 -5.829 173 HZ PHE 27 HZ PHE 27 4.456 0.222 -6.295 174 HA PRO 28 HA PRO 28 6.863 -5.225 -12.182 175 HB2 PRO 28 1HB PRO 28 7.112 -7.843 -11.510 176 HB3 PRO 28 2HB PRO 28 8.355 -6.958 -12.403 177 HG2 PRO 28 1HG PRO 28 8.224 -7.616 -9.485 178 HG3 PRO 28 2HG PRO 28 9.608 -7.700 -10.590 179 HD2 PRO 28 1HD PRO 28 9.241 -5.642 -8.870 180 HD3 PRO 28 2HD PRO 28 10.016 -5.436 -10.454 181 H ALA 29 H ALA 29 4.979 -6.802 -12.210 182 HA ALA 29 HA ALA 29 3.273 -6.216 -9.915 183 HB1 ALA 29 3HB ALA 29 1.445 -6.521 -11.303 184 HB2 ALA 29 1HB ALA 29 2.649 -5.846 -12.401 185 HB3 ALA 29 2HB ALA 29 2.326 -7.580 -12.403 186 H GLY 30 H GLY 30 3.645 -7.669 -8.318 187 HA2 GLY 30 1HA GLY 30 2.557 -9.935 -7.806 188 HA3 GLY 30 2HA GLY 30 3.662 -10.526 -9.038 189 H VAL 31 H VAL 31 4.536 -8.003 -6.781 190 HA VAL 31 HA VAL 31 6.199 -9.923 -5.295 191 HB VAL 31 HB VAL 31 7.983 -8.163 -5.185 192 HG11 VAL 31 1HG1 VAL 31 8.955 -8.731 -7.296 193 HG12 VAL 31 2HG1 VAL 31 8.033 -10.126 -6.731 194 HG13 VAL 31 3HG1 VAL 31 7.372 -9.082 -7.990 195 HG21 VAL 31 3HG2 VAL 31 6.021 -6.774 -6.903 196 HG22 VAL 31 1HG2 VAL 31 7.201 -6.121 -5.767 197 HG23 VAL 31 2HG2 VAL 31 7.714 -6.633 -7.375 198 H GLU 32 H GLU 32 6.823 -9.224 -3.162 199 HA GLU 32 HA GLU 32 4.812 -7.450 -1.975 200 HB2 GLU 32 1HB GLU 32 4.989 -9.761 -1.098 201 HB3 GLU 32 2HB GLU 32 6.651 -9.434 -0.627 202 HG2 GLU 32 1HG GLU 32 5.915 -7.746 0.937 203 HG3 GLU 32 2HG GLU 32 4.244 -7.961 0.418 204 H VAL 33 H VAL 33 5.355 -5.715 -0.696 205 HA VAL 33 HA VAL 33 8.214 -5.039 -0.511 206 HB VAL 33 HB VAL 33 7.580 -2.642 -0.861 207 HG11 VAL 33 1HG1 VAL 33 8.556 -3.299 -2.777 208 HG12 VAL 33 2HG1 VAL 33 7.581 -4.766 -2.891 209 HG13 VAL 33 3HG1 VAL 33 6.918 -3.221 -3.426 210 HG21 VAL 33 3HG2 VAL 33 5.457 -2.118 -1.911 211 HG22 VAL 33 1HG2 VAL 33 4.977 -3.814 -1.836 212 HG23 VAL 33 2HG2 VAL 33 5.184 -2.890 -0.349 213 H GLN 34 H GLN 34 8.532 -3.144 1.060 214 HA GLN 34 HA GLN 34 6.742 -3.501 3.373 215 HB2 GLN 34 1HB GLN 34 8.961 -4.564 3.686 216 HB3 GLN 34 2HB GLN 34 9.723 -2.999 3.436 217 HG2 GLN 34 1HG GLN 34 8.202 -2.245 5.403 218 HG3 GLN 34 2HG GLN 34 8.111 -3.971 5.748 219 HE21 GLN 34 1HE2 GLN 34 9.174 -3.523 7.736 220 HE22 GLN 34 2HE2 GLN 34 10.886 -3.294 7.785 221 H VAL 35 H VAL 35 5.648 -1.715 3.810 222 HA VAL 35 HA VAL 35 6.411 0.839 2.761 223 HB VAL 35 HB VAL 35 4.224 0.145 4.727 224 HG11 VAL 35 1HG1 VAL 35 3.352 2.284 4.437 225 HG12 VAL 35 2HG1 VAL 35 5.089 2.569 4.567 226 HG13 VAL 35 3HG1 VAL 35 4.308 2.582 2.986 227 HG21 VAL 35 3HG2 VAL 35 4.210 -0.897 2.371 228 HG22 VAL 35 1HG2 VAL 35 2.755 -0.074 2.932 229 HG23 VAL 35 2HG2 VAL 35 3.849 0.736 1.811 230 H LEU 36 H LEU 36 8.215 1.701 3.642 231 HA LEU 36 HA LEU 36 8.950 1.477 6.363 232 HB2 LEU 36 1HB LEU 36 9.813 3.438 4.244 233 HB3 LEU 36 2HB LEU 36 10.571 3.283 5.827 234 HG LEU 36 HG LEU 36 10.534 1.213 3.634 235 HD11 LEU 36 1HD1 LEU 36 13.088 1.606 4.024 236 HD12 LEU 36 2HD1 LEU 36 12.547 3.162 4.652 237 HD13 LEU 36 3HD1 LEU 36 12.163 2.699 2.994 238 HD21 LEU 36 3HD2 LEU 36 11.594 1.102 6.451 239 HD22 LEU 36 1HD2 LEU 36 12.081 -0.017 5.177 240 HD23 LEU 36 2HD2 LEU 36 10.398 0.043 5.702 241 H GLU 37 H GLU 37 7.565 4.188 4.513 242 HA GLU 37 HA GLU 37 6.337 5.165 6.980 243 HB2 GLU 37 1HB GLU 37 8.557 6.347 6.509 244 HB3 GLU 37 2HB GLU 37 7.755 7.060 5.116 245 HG2 GLU 37 1HG GLU 37 6.401 8.385 6.393 246 HG3 GLU 37 2HG GLU 37 6.452 7.294 7.777 247 H LYS 38 H LYS 38 4.745 6.957 6.493 248 HA LYS 38 HA LYS 38 3.574 6.694 3.813 249 HB2 LYS 38 1HB LYS 38 2.123 6.370 6.442 250 HB3 LYS 38 2HB LYS 38 1.304 6.629 4.907 251 HG2 LYS 38 1HG LYS 38 2.678 4.553 4.140 252 HG3 LYS 38 2HG LYS 38 2.808 4.243 5.872 253 HD2 LYS 38 1HD LYS 38 0.202 4.688 5.782 254 HD3 LYS 38 2HD LYS 38 0.417 4.193 4.101 255 HE2 LYS 38 1HE LYS 38 1.622 2.535 6.266 256 HE3 LYS 38 2HE LYS 38 -0.114 2.430 5.978 257 HZ1 LYS 38 3HZ LYS 38 1.612 2.249 3.639 258 HZ2 LYS 38 1HZ LYS 38 0.182 1.419 3.997 259 HZ3 LYS 38 2HZ LYS 38 1.641 0.931 4.699 260 H GLN 39 H GLN 39 2.983 8.580 2.941 261 HA GLN 39 HA GLN 39 3.094 10.966 4.640 262 HB2 GLN 39 1HB GLN 39 3.441 10.498 1.697 263 HB3 GLN 39 2HB GLN 39 3.067 12.105 2.303 264 HG2 GLN 39 1HG GLN 39 5.067 12.029 3.714 265 HG3 GLN 39 2HG GLN 39 5.448 10.432 3.071 266 HE21 GLN 39 1HE2 GLN 39 5.035 10.639 0.450 267 HE22 GLN 39 2HE2 GLN 39 6.061 11.837 -0.254 268 H GLU 40 H GLU 40 1.383 12.290 4.938 269 HA GLU 40 HA GLU 40 -1.205 11.414 4.753 270 HB2 GLU 40 1HB GLU 40 -0.053 14.189 4.828 271 HB3 GLU 40 2HB GLU 40 -1.791 13.934 4.761 272 HG2 GLU 40 1HG GLU 40 -1.406 14.142 7.019 273 HG3 GLU 40 2HG GLU 40 -1.408 12.394 6.798 274 H SER 41 H SER 41 0.699 13.049 2.307 275 HA SER 41 HA SER 41 -1.301 13.808 0.532 276 HB2 SER 41 1HB SER 41 1.586 13.090 0.236 277 HB3 SER 41 2HB SER 41 0.610 13.281 -1.220 278 HG SER 41 HG SER 41 1.347 15.285 -0.818 279 H GLY 42 H GLY 42 0.785 10.977 -0.039 280 HA2 GLY 42 1HA GLY 42 -1.172 9.021 -0.195 281 HA3 GLY 42 2HA GLY 42 -1.098 9.761 -1.788 282 H TRP 43 H TRP 43 1.814 10.307 -1.438 283 HA TRP 43 HA TRP 43 2.746 7.836 -2.547 284 HB2 TRP 43 1HB TRP 43 4.116 10.440 -1.874 285 HB3 TRP 43 2HB TRP 43 4.980 9.058 -2.543 286 HD1 TRP 43 HD TRP 43 2.343 11.679 -3.490 287 HE1 TRP 43 1HE TRP 43 2.167 11.769 -6.056 288 HE3 TRP 43 3HE TRP 43 5.349 7.709 -4.649 289 HZ2 TRP 43 2HZ TRP 43 3.169 10.345 -8.278 290 HZ3 TRP 43 3HZ TRP 43 5.687 7.139 -7.019 291 HH2 TRP 43 HH TRP 43 4.618 8.430 -8.794 292 H TRP 44 H TRP 44 3.430 6.140 -1.436 293 HA TRP 44 HA TRP 44 4.374 6.543 1.319 294 HB2 TRP 44 1HB TRP 44 3.312 4.048 -0.024 295 HB3 TRP 44 2HB TRP 44 3.861 4.145 1.647 296 HD1 TRP 44 HD TRP 44 2.167 7.269 1.265 297 HE1 TRP 44 1HE TRP 44 -0.293 7.149 2.013 298 HE3 TRP 44 3HE TRP 44 1.588 2.190 1.342 299 HZ2 TRP 44 2HZ TRP 44 -2.223 5.165 2.564 300 HZ3 TRP 44 3HZ TRP 44 -0.596 1.262 1.992 301 HH2 TRP 44 HH TRP 44 -2.460 2.720 2.590 302 H TYR 45 H TYR 45 6.263 5.525 2.046 303 HA TYR 45 HA TYR 45 8.229 5.076 -0.053 304 HB2 TYR 45 1HB TYR 45 8.500 6.508 2.139 305 HB3 TYR 45 2HB TYR 45 8.891 4.952 2.863 306 HD1 TYR 45 1HD TYR 45 9.733 6.368 -0.487 307 HD2 TYR 45 2HD TYR 45 11.176 4.937 3.251 308 HE1 TYR 45 1HE TYR 45 12.043 6.573 -1.307 309 HE2 TYR 45 2HE TYR 45 13.489 5.139 2.442 310 HH TYR 45 HH TYR 45 14.454 5.169 -0.382 311 H VAL 46 H VAL 46 8.296 3.074 -0.845 312 HA VAL 46 HA VAL 46 7.978 0.804 0.996 313 HB VAL 46 HB VAL 46 7.851 -0.487 -1.258 314 HG11 VAL 46 1HG1 VAL 46 5.407 0.051 -1.420 315 HG12 VAL 46 2HG1 VAL 46 5.970 -0.362 0.200 316 HG13 VAL 46 3HG1 VAL 46 5.675 1.323 -0.229 317 HG21 VAL 46 3HG2 VAL 46 6.757 2.049 -2.359 318 HG22 VAL 46 1HG2 VAL 46 8.503 1.806 -2.403 319 HG23 VAL 46 2HG2 VAL 46 7.431 0.651 -3.195 320 H ARG 47 H ARG 47 9.312 -1.153 0.425 321 HA ARG 47 HA ARG 47 11.992 -0.389 -0.518 322 HB2 ARG 47 1HB ARG 47 12.130 -0.450 1.882 323 HB3 ARG 47 2HB ARG 47 11.295 -1.997 1.940 324 HG2 ARG 47 1HG ARG 47 13.329 -2.779 0.470 325 HG3 ARG 47 2HG ARG 47 14.111 -1.385 1.219 326 HD2 ARG 47 1HD ARG 47 12.674 -3.504 2.799 327 HD3 ARG 47 2HD ARG 47 14.391 -3.599 2.409 328 HE ARG 47 HE ARG 47 13.873 -1.112 3.593 329 HH11 ARG 47 1HH1 ARG 47 13.941 -4.495 4.413 330 HH12 ARG 47 2HH1 ARG 47 14.348 -4.218 6.074 331 HH21 ARG 47 1HH2 ARG 47 14.409 -0.734 5.777 332 HH22 ARG 47 2HH2 ARG 47 14.614 -2.078 6.849 333 H PHE 48 H PHE 48 12.771 -1.679 -2.052 334 HA PHE 48 HA PHE 48 11.597 -4.367 -2.342 335 HB2 PHE 48 1HB PHE 48 10.855 -2.843 -4.132 336 HB3 PHE 48 2HB PHE 48 12.535 -2.523 -4.550 337 HD1 PHE 48 2HD PHE 48 10.475 -5.575 -3.915 338 HD2 PHE 48 1HD PHE 48 13.198 -3.546 -6.482 339 HE1 PHE 48 2HE PHE 48 10.453 -7.496 -5.451 340 HE2 PHE 48 1HE PHE 48 13.179 -5.464 -8.023 341 HZ PHE 48 HZ PHE 48 11.806 -7.443 -7.508 342 H GLY 49 H GLY 49 13.165 -5.583 -1.391 343 HA2 GLY 49 1HA GLY 49 15.114 -6.816 -1.368 344 HA3 GLY 49 2HA GLY 49 15.570 -6.031 -2.873 345 H GLU 50 H GLU 50 16.909 -4.259 -2.840 346 HA GLU 50 HA GLU 50 17.917 -3.450 -0.192 347 HB2 GLU 50 1HB GLU 50 19.548 -3.738 -2.721 348 HB3 GLU 50 2HB GLU 50 20.152 -3.251 -1.144 349 HG2 GLU 50 1HG GLU 50 19.564 -5.448 -0.244 350 HG3 GLU 50 2HG GLU 50 18.981 -5.936 -1.833 351 H LEU 51 H LEU 51 15.977 -2.342 -2.333 352 HA LEU 51 HA LEU 51 17.155 0.357 -2.400 353 HB2 LEU 51 1HB LEU 51 15.409 -0.950 -4.479 354 HB3 LEU 51 2HB LEU 51 15.899 0.742 -4.494 355 HG LEU 51 HG LEU 51 17.853 -1.547 -4.617 356 HD11 LEU 51 1HD1 LEU 51 17.901 -1.377 -6.960 357 HD12 LEU 51 2HD1 LEU 51 16.921 0.089 -6.957 358 HD13 LEU 51 3HD1 LEU 51 16.191 -1.460 -6.534 359 HD21 LEU 51 3HD2 LEU 51 19.270 0.298 -5.619 360 HD22 LEU 51 1HD2 LEU 51 18.931 0.422 -3.892 361 HD23 LEU 51 2HD2 LEU 51 18.042 1.425 -5.040 362 H GLU 52 H GLU 52 15.653 2.117 -2.271 363 HA GLU 52 HA GLU 52 12.990 1.402 -1.256 364 HB2 GLU 52 1HB GLU 52 15.066 3.122 0.063 365 HB3 GLU 52 2HB GLU 52 13.357 3.412 0.356 366 HG2 GLU 52 1HG GLU 52 13.081 1.472 1.524 367 HG3 GLU 52 2HG GLU 52 14.389 0.647 0.679 368 H GLY 53 H GLY 53 11.431 2.456 -2.289 369 HA2 GLY 53 1HA GLY 53 12.002 5.141 -3.353 370 HA3 GLY 53 2HA GLY 53 11.324 3.913 -4.411 371 H TRP 54 H TRP 54 10.066 6.355 -3.952 372 HA TRP 54 HA TRP 54 7.931 5.841 -2.036 373 HB2 TRP 54 1HB TRP 54 8.600 8.227 -3.764 374 HB3 TRP 54 2HB TRP 54 7.155 8.139 -2.761 375 HD1 TRP 54 HD TRP 54 10.911 8.670 -2.557 376 HE1 TRP 54 1HE TRP 54 11.525 9.403 -0.167 377 HE3 TRP 54 3HE TRP 54 6.402 7.879 -0.280 378 HZ2 TRP 54 2HZ TRP 54 10.266 9.618 2.350 379 HZ3 TRP 54 3HZ TRP 54 6.191 8.373 2.121 380 HH2 TRP 54 HH TRP 54 8.084 9.224 3.407 381 H ALA 55 H ALA 55 6.357 4.537 -2.710 382 HA ALA 55 HA ALA 55 5.403 4.804 -5.485 383 HB1 ALA 55 3HB ALA 55 4.778 2.541 -5.476 384 HB2 ALA 55 1HB ALA 55 6.363 2.579 -4.703 385 HB3 ALA 55 2HB ALA 55 4.906 2.425 -3.721 386 HA PRO 56 HA PRO 56 1.560 6.338 -3.987 387 HB2 PRO 56 1HB PRO 56 -0.040 5.623 -6.061 388 HB3 PRO 56 2HB PRO 56 1.126 6.949 -6.159 389 HG2 PRO 56 1HG PRO 56 1.374 4.131 -7.138 390 HG3 PRO 56 2HG PRO 56 1.849 5.640 -7.940 391 HD2 PRO 56 1HD PRO 56 3.630 4.040 -6.675 392 HD3 PRO 56 2HD PRO 56 3.813 5.804 -6.745 393 H SER 57 H SER 57 -0.064 5.618 -2.724 394 HA SER 57 HA SER 57 -0.235 2.899 -2.015 395 HB2 SER 57 1HB SER 57 -1.975 3.544 -0.521 396 HB3 SER 57 2HB SER 57 -0.863 4.910 -0.588 397 HG SER 57 HG SER 57 -2.281 5.990 -1.906 398 H HIS 58 H HIS 58 -1.461 4.507 -4.683 399 HA HIS 58 HA HIS 58 -3.939 3.153 -5.015 400 HB2 HIS 58 1HB HIS 58 -2.184 4.397 -7.141 401 HB3 HIS 58 2HB HIS 58 -3.897 4.016 -7.289 402 HD1 HIS 58 1HD HIS 58 -1.658 6.716 -6.450 403 HD2 HIS 58 2HD HIS 58 -5.525 5.620 -5.398 404 HE1 HIS 58 1HE HIS 58 -2.710 8.793 -5.499 405 HE2 HIS 58 2HE HIS 58 -5.021 8.083 -4.791 406 H TYR 59 H TYR 59 -0.625 2.447 -5.901 407 HA TYR 59 HA TYR 59 -1.344 0.199 -7.564 408 HB2 TYR 59 1HB TYR 59 1.291 1.282 -6.573 409 HB3 TYR 59 2HB TYR 59 1.174 -0.201 -7.513 410 HD1 TYR 59 1HD TYR 59 -0.356 3.208 -7.763 411 HD2 TYR 59 2HD TYR 59 1.810 0.101 -9.702 412 HE1 TYR 59 1HE TYR 59 -0.330 4.529 -9.838 413 HE2 TYR 59 2HE TYR 59 1.844 1.414 -11.782 414 HH TYR 59 HH TYR 59 1.616 3.663 -12.543 415 H LEU 60 H LEU 60 -0.050 0.717 -4.317 416 HA LEU 60 HA LEU 60 0.370 -2.025 -3.722 417 HB2 LEU 60 1HB LEU 60 -0.113 0.271 -1.829 418 HB3 LEU 60 2HB LEU 60 0.574 -1.296 -1.409 419 HG LEU 60 HG LEU 60 1.884 0.631 -3.320 420 HD11 LEU 60 1HD1 LEU 60 2.167 0.338 -0.343 421 HD12 LEU 60 2HD1 LEU 60 1.836 1.797 -1.275 422 HD13 LEU 60 3HD1 LEU 60 3.428 1.043 -1.355 423 HD21 LEU 60 3HD2 LEU 60 3.643 -0.807 -3.386 424 HD22 LEU 60 1HD2 LEU 60 2.353 -1.978 -3.107 425 HD23 LEU 60 2HD2 LEU 60 3.347 -1.423 -1.760 426 H VAL 61 H VAL 61 -0.902 -3.504 -2.669 427 HA VAL 61 HA VAL 61 -3.764 -2.958 -2.709 428 HB VAL 61 HB VAL 61 -2.237 -5.527 -2.279 429 HG11 VAL 61 1HG1 VAL 61 -4.294 -6.692 -2.213 430 HG12 VAL 61 2HG1 VAL 61 -4.451 -5.359 -1.068 431 HG13 VAL 61 3HG1 VAL 61 -5.208 -5.252 -2.658 432 HG21 VAL 61 3HG2 VAL 61 -2.068 -4.846 -4.549 433 HG22 VAL 61 1HG2 VAL 61 -3.305 -6.101 -4.486 434 HG23 VAL 61 2HG2 VAL 61 -3.774 -4.406 -4.613 435 H LEU 62 H LEU 62 -4.170 -1.725 -0.902 436 HA LEU 62 HA LEU 62 -3.253 -2.647 1.700 437 HB2 LEU 62 1HB LEU 62 -4.379 -0.596 2.530 438 HB3 LEU 62 2HB LEU 62 -3.119 -0.297 1.336 439 HG LEU 62 HG LEU 62 -5.947 -0.461 0.412 440 HD11 LEU 62 1HD1 LEU 62 -4.890 2.154 1.374 441 HD12 LEU 62 2HD1 LEU 62 -5.650 1.054 2.523 442 HD13 LEU 62 3HD1 LEU 62 -6.556 1.633 1.125 443 HD21 LEU 62 3HD2 LEU 62 -3.436 0.213 -0.686 444 HD22 LEU 62 1HD2 LEU 62 -4.394 1.692 -0.633 445 HD23 LEU 62 2HD2 LEU 62 -5.018 0.268 -1.465 446 H ASP 63 H ASP 63 -4.381 -4.098 2.795 447 HA ASP 63 HA ASP 63 -7.240 -4.411 2.248 448 HB2 ASP 63 1HB ASP 63 -6.731 -6.471 3.876 449 HB3 ASP 63 2HB ASP 63 -6.412 -6.538 2.145 450 H GLU 64 H GLU 64 -5.743 -2.386 4.063 451 HA GLU 64 HA GLU 64 -5.988 -1.425 6.124 452 HB2 GLU 64 1HB GLU 64 -8.297 -1.276 4.854 453 HB3 GLU 64 2HB GLU 64 -8.831 -2.342 6.145 454 HG2 GLU 64 1HG GLU 64 -7.996 -0.673 7.786 455 HG3 GLU 64 2HG GLU 64 -7.655 0.410 6.437 456 H ASN 65 H ASN 65 -4.788 -3.745 6.546 457 HA ASN 65 HA ASN 65 -6.066 -5.674 8.101 458 HB2 ASN 65 1HB ASN 65 -3.915 -6.205 7.272 459 HB3 ASN 65 2HB ASN 65 -3.198 -4.757 7.973 460 HD21 ASN 65 1HD2 ASN 65 -3.299 -7.967 8.266 461 HD22 ASN 65 2HD2 ASN 65 -3.006 -8.140 9.960 462 H GLU 66 H GLU 66 -6.890 -5.638 10.083 463 HA GLU 66 HA GLU 66 -5.764 -3.862 12.103 464 HB2 GLU 66 1HB GLU 66 -7.979 -2.999 12.739 465 HB3 GLU 66 2HB GLU 66 -7.533 -2.522 11.107 466 HG2 GLU 66 1HG GLU 66 -9.755 -3.126 10.901 467 HG3 GLU 66 2HG GLU 66 -8.893 -4.563 10.355 468 H GLN 67 H GLN 67 -6.031 -4.578 14.199 469 HA GLN 67 HA GLN 67 -7.461 -7.129 14.537 470 HB2 GLN 67 1HB GLN 67 -4.666 -6.395 15.282 471 HB3 GLN 67 2HB GLN 67 -5.552 -7.493 16.332 472 HG2 GLN 67 1HG GLN 67 -5.644 -9.155 14.750 473 HG3 GLN 67 2HG GLN 67 -5.459 -8.031 13.404 474 HE21 GLN 67 1HE2 GLN 67 -3.307 -6.865 13.388 475 HE22 GLN 67 2HE2 GLN 67 -1.911 -7.824 13.726 476 HA PRO 68 HA PRO 68 -9.493 -5.158 17.906 477 HB2 PRO 68 1HB PRO 68 -10.257 -7.360 19.298 478 HB3 PRO 68 2HB PRO 68 -11.025 -6.865 17.785 479 HG2 PRO 68 1HG PRO 68 -8.932 -8.953 18.251 480 HG3 PRO 68 2HG PRO 68 -10.373 -9.024 17.220 481 HD2 PRO 68 1HD PRO 68 -7.899 -8.542 16.233 482 HD3 PRO 68 2HD PRO 68 -9.366 -7.847 15.514 483 H ASP 69 H ASP 69 -7.744 -4.127 18.935 484 HA ASP 69 HA ASP 69 -6.995 -5.324 21.459 485 HB2 ASP 69 1HB ASP 69 -4.955 -4.688 19.329 486 HB3 ASP 69 2HB ASP 69 -4.538 -4.798 21.036 487 HA PRO 70 HA PRO 70 -7.367 -1.123 22.712 488 HB2 PRO 70 1HB PRO 70 -6.028 -1.254 25.070 489 HB3 PRO 70 2HB PRO 70 -7.642 -1.940 24.842 490 HG2 PRO 70 1HG PRO 70 -4.979 -3.308 24.801 491 HG3 PRO 70 2HG PRO 70 -6.495 -3.832 25.558 492 HD2 PRO 70 1HD PRO 70 -5.639 -4.809 23.182 493 HD3 PRO 70 2HD PRO 70 -7.361 -4.620 23.572 494 H SER 71 H SER 71 -4.140 -2.589 23.030 495 HA SER 71 HA SER 71 -2.578 -0.358 23.312 496 HB2 SER 71 1HB SER 71 -2.083 -2.936 21.835 497 HB3 SER 71 2HB SER 71 -0.843 -1.687 21.946 498 HG SER 71 HG SER 71 -1.774 -3.426 23.863 499 H GLY 72 H GLY 72 -1.428 1.000 21.870 500 HA2 GLY 72 1HA GLY 72 -0.988 2.039 19.819 501 HA3 GLY 72 2HA GLY 72 -2.189 1.003 19.062 502 H LYS 73 H LYS 73 -1.974 3.643 21.445 503 HA LYS 73 HA LYS 73 -4.663 4.475 21.102 504 HB2 LYS 73 1HB LYS 73 -3.974 6.491 22.343 505 HB3 LYS 73 2HB LYS 73 -3.430 5.014 23.127 506 HG2 LYS 73 1HG LYS 73 -1.195 5.346 22.154 507 HG3 LYS 73 2HG LYS 73 -1.753 6.861 21.440 508 HD2 LYS 73 1HD LYS 73 -2.442 7.408 23.912 509 HD3 LYS 73 2HD LYS 73 -1.234 6.181 24.300 510 HE2 LYS 73 1HE LYS 73 -0.677 8.519 22.487 511 HE3 LYS 73 2HE LYS 73 -0.419 8.576 24.230 512 HZ1 LYS 73 3HZ LYS 73 1.266 7.518 22.249 513 HZ2 LYS 73 1HZ LYS 73 0.793 6.256 23.273 514 HZ3 LYS 73 2HZ LYS 73 1.541 7.630 23.915 515 H GLU 74 H GLU 74 -5.525 5.461 19.408 516 HA GLU 74 HA GLU 74 -4.168 7.630 18.089 517 HB2 GLU 74 1HB GLU 74 -4.573 4.983 16.734 518 HB3 GLU 74 2HB GLU 74 -4.597 6.471 15.799 519 HG2 GLU 74 1HG GLU 74 -2.333 6.936 16.992 520 HG3 GLU 74 2HG GLU 74 -2.339 5.194 17.266 521 H SER 75 H SER 75 -5.548 8.813 16.649 522 HA SER 75 HA SER 75 -8.349 8.566 17.395 523 HB2 SER 75 1HB SER 75 -6.668 10.712 16.154 524 HB3 SER 75 2HB SER 75 -8.419 10.761 15.944 525 HG SER 75 HG SER 75 -7.345 10.373 18.508 526 H GLY 76 H GLY 76 -9.924 9.237 15.527 527 HA2 GLY 76 1HA GLY 76 -9.833 8.962 12.931 528 HA3 GLY 76 2HA GLY 76 -9.446 7.305 13.371 529 HA PRO 77 HA PRO 77 -14.148 8.353 13.483 530 HB2 PRO 77 1HB PRO 77 -14.864 7.864 10.910 531 HB3 PRO 77 2HB PRO 77 -14.414 9.471 11.493 532 HG2 PRO 77 1HG PRO 77 -12.766 7.468 9.997 533 HG3 PRO 77 2HG PRO 77 -12.879 9.222 9.763 534 HD2 PRO 77 1HD PRO 77 -10.829 8.058 11.096 535 HD3 PRO 77 2HD PRO 77 -11.441 9.673 11.508 536 H SER 78 H SER 78 -15.604 6.721 13.798 537 HA SER 78 HA SER 78 -15.052 4.083 12.665 538 HB2 SER 78 1HB SER 78 -15.336 4.629 15.629 539 HB3 SER 78 2HB SER 78 -15.362 3.022 14.904 540 HG SER 78 HG SER 78 -13.274 3.084 14.952 541 H SER 79 H SER 79 -16.853 2.696 12.595 542 HA SER 79 HA SER 79 -19.392 3.494 13.667 543 HB2 SER 79 1HB SER 79 -20.499 3.651 11.406 544 HB3 SER 79 2HB SER 79 -19.426 4.996 11.793 545 HG SER 79 HG SER 79 -17.895 4.161 10.434 546 H GLY 80 H GLY 80 -21.015 1.889 13.413 547 HA2 GLY 80 1HA GLY 80 -19.966 -0.766 13.251 548 HA3 GLY 80 2HA GLY 80 -21.648 -0.325 13.503 Start of MODEL 20 1 H1 GLY 1 H GLY 1 2.119 -14.241 20.689 2 HA2 GLY 1 1HA GLY 1 3.084 -11.879 19.603 3 HA3 GLY 1 2HA GLY 1 2.730 -12.116 21.308 4 H SER 2 H SER 2 5.245 -13.000 18.938 5 HA SER 2 HA SER 2 7.299 -13.313 20.834 6 HB2 SER 2 1HB SER 2 7.509 -14.260 18.610 7 HB3 SER 2 2HB SER 2 7.448 -12.655 17.883 8 HG SER 2 HG SER 2 9.382 -12.535 19.614 9 H SER 3 H SER 3 8.241 -11.837 22.061 10 HA SER 3 HA SER 3 7.765 -9.133 22.053 11 HB2 SER 3 1HB SER 3 9.514 -8.913 23.614 12 HB3 SER 3 2HB SER 3 8.981 -10.583 23.808 13 HG SER 3 HG SER 3 11.349 -10.100 23.578 14 H GLY 4 H GLY 4 8.238 -7.543 20.695 15 HA2 GLY 4 1HA GLY 4 10.804 -7.199 19.523 16 HA3 GLY 4 2HA GLY 4 9.668 -7.824 18.337 17 H SER 5 H SER 5 9.124 -6.193 17.046 18 HA SER 5 HA SER 5 7.578 -4.025 17.975 19 HB2 SER 5 1HB SER 5 9.768 -3.197 18.766 20 HB3 SER 5 2HB SER 5 10.393 -3.302 17.120 21 HG SER 5 HG SER 5 9.006 -1.690 16.500 22 H SER 6 H SER 6 6.163 -4.054 16.359 23 HA SER 6 HA SER 6 7.156 -4.286 13.602 24 HB2 SER 6 1HB SER 6 4.528 -4.966 14.898 25 HB3 SER 6 2HB SER 6 4.637 -4.727 13.154 26 HG SER 6 HG SER 6 6.336 -6.498 14.563 27 H GLY 7 H GLY 7 7.698 -2.156 13.185 28 HA2 GLY 7 1HA GLY 7 5.508 -0.189 13.384 29 HA3 GLY 7 2HA GLY 7 7.218 0.215 13.362 30 H ALA 8 H ALA 8 5.399 -1.978 11.250 31 HA ALA 8 HA ALA 8 5.395 -0.139 9.050 32 HB1 ALA 8 3HB ALA 8 7.664 -0.655 8.772 33 HB2 ALA 8 1HB ALA 8 7.410 -2.364 9.128 34 HB3 ALA 8 2HB ALA 8 6.827 -1.683 7.608 35 H THR 9 H THR 9 4.793 -1.420 6.953 36 HA THR 9 HA THR 9 3.236 -3.815 7.474 37 HB THR 9 HB THR 9 1.942 -1.244 6.556 38 HG1 THR 9 1HG THR 9 2.228 -1.878 8.905 39 HG21 THR 9 3HG2 THR 9 0.128 -3.453 6.911 40 HG22 THR 9 1HG2 THR 9 1.349 -3.847 5.701 41 HG23 THR 9 2HG2 THR 9 0.351 -2.405 5.510 42 H SER 10 H SER 10 3.690 -5.152 5.864 43 HA SER 10 HA SER 10 4.728 -4.150 3.358 44 HB2 SER 10 1HB SER 10 4.530 -6.807 4.685 45 HB3 SER 10 2HB SER 10 4.619 -6.788 2.924 46 HG SER 10 HG SER 10 6.588 -5.849 3.021 47 H TYR 11 H TYR 11 3.677 -4.014 1.467 48 HA TYR 11 HA TYR 11 0.895 -4.981 1.389 49 HB2 TYR 11 1HB TYR 11 2.156 -2.632 -0.040 50 HB3 TYR 11 2HB TYR 11 0.501 -3.179 -0.281 51 HD1 TYR 11 2HD TYR 11 2.738 -2.291 2.586 52 HD2 TYR 11 1HD TYR 11 -1.126 -1.992 0.831 53 HE1 TYR 11 2HE TYR 11 2.005 -0.873 4.457 54 HE2 TYR 11 1HE TYR 11 -1.870 -0.572 2.696 55 HH TYR 11 HH TYR 11 -0.671 -0.396 5.466 56 H MET 12 H MET 12 0.080 -5.591 -0.758 57 HA MET 12 HA MET 12 2.166 -6.990 -2.282 58 HB2 MET 12 1HB MET 12 0.011 -8.092 -1.185 59 HB3 MET 12 2HB MET 12 -0.732 -7.562 -2.689 60 HG2 MET 12 1HG MET 12 1.815 -9.109 -2.765 61 HG3 MET 12 2HG MET 12 0.288 -9.943 -2.492 62 HE1 MET 12 3HE MET 12 1.282 -10.683 -6.201 63 HE2 MET 12 1HE MET 12 2.575 -9.777 -5.414 64 HE3 MET 12 2HE MET 12 1.720 -11.041 -4.530 65 H THR 13 H THR 13 2.784 -6.044 -4.100 66 HA THR 13 HA THR 13 1.274 -3.963 -5.345 67 HB THR 13 HB THR 13 3.057 -3.782 -6.924 68 HG1 THR 13 1HG THR 13 4.347 -5.426 -7.439 69 HG21 THR 13 3HG2 THR 13 5.105 -4.054 -5.297 70 HG22 THR 13 1HG2 THR 13 3.844 -4.351 -4.102 71 HG23 THR 13 2HG2 THR 13 3.873 -2.830 -4.994 72 H CYS 14 H CYS 14 -0.180 -4.091 -6.932 73 HA CYS 14 HA CYS 14 -0.562 -6.695 -8.244 74 HB2 CYS 14 1HB CYS 14 -2.871 -6.030 -8.619 75 HB3 CYS 14 2HB CYS 14 -2.474 -5.861 -6.913 76 HG CYS 14 HG CYS 14 -3.548 -3.584 -9.060 77 H SER 15 H SER 15 0.394 -3.474 -8.765 78 HA SER 15 HA SER 15 0.304 -3.909 -11.674 79 HB2 SER 15 1HB SER 15 -0.075 -1.454 -11.946 80 HB3 SER 15 2HB SER 15 -1.421 -2.287 -11.170 81 HG SER 15 HG SER 15 -0.902 -1.388 -9.263 82 H ALA 16 H ALA 16 1.968 -2.825 -12.880 83 HA ALA 16 HA ALA 16 4.467 -2.725 -11.414 84 HB1 ALA 16 3HB ALA 16 3.866 -3.690 -13.854 85 HB2 ALA 16 1HB ALA 16 4.459 -2.088 -14.292 86 HB3 ALA 16 2HB ALA 16 5.486 -3.188 -13.373 87 H TYR 17 H TYR 17 5.087 -0.897 -10.478 88 HA TYR 17 HA TYR 17 4.187 1.665 -11.553 89 HB2 TYR 17 1HB TYR 17 3.835 1.606 -9.243 90 HB3 TYR 17 2HB TYR 17 5.364 0.790 -8.932 91 HD1 TYR 17 2HD TYR 17 7.495 2.082 -9.081 92 HD2 TYR 17 1HD TYR 17 3.691 3.976 -9.291 93 HE1 TYR 17 2HE TYR 17 8.551 4.245 -8.576 94 HE2 TYR 17 1HE TYR 17 4.737 6.145 -8.788 95 HH TYR 17 HH TYR 17 8.157 6.580 -8.792 96 H GLN 18 H GLN 18 5.620 3.370 -12.027 97 HA GLN 18 HA GLN 18 8.348 2.478 -12.682 98 HB2 GLN 18 1HB GLN 18 8.355 3.981 -14.523 99 HB3 GLN 18 2HB GLN 18 6.820 3.125 -14.586 100 HG2 GLN 18 1HG GLN 18 5.640 5.003 -13.743 101 HG3 GLN 18 2HG GLN 18 7.139 5.844 -13.349 102 HE21 GLN 18 1HE2 GLN 18 8.545 6.394 -15.182 103 HE22 GLN 18 2HE2 GLN 18 7.808 6.836 -16.680 104 H LYS 19 H LYS 19 10.096 3.773 -12.177 105 HA LYS 19 HA LYS 19 9.701 5.568 -9.955 106 HB2 LYS 19 1HB LYS 19 12.186 5.704 -9.958 107 HB3 LYS 19 2HB LYS 19 11.576 4.057 -9.862 108 HG2 LYS 19 1HG LYS 19 12.046 3.705 -12.204 109 HG3 LYS 19 2HG LYS 19 12.558 5.385 -12.380 110 HD2 LYS 19 1HD LYS 19 13.884 3.622 -10.360 111 HD3 LYS 19 2HD LYS 19 14.342 3.512 -12.061 112 HE2 LYS 19 1HE LYS 19 14.576 6.083 -11.916 113 HE3 LYS 19 2HE LYS 19 14.612 5.823 -10.173 114 HZ1 LYS 19 3HZ LYS 19 16.395 4.024 -10.975 115 HZ2 LYS 19 1HZ LYS 19 16.804 5.611 -10.555 116 HZ3 LYS 19 2HZ LYS 19 16.610 5.190 -12.181 117 H VAL 20 H VAL 20 9.634 7.723 -10.011 118 HA VAL 20 HA VAL 20 9.831 9.061 -12.580 119 HB VAL 20 HB VAL 20 7.960 9.600 -11.083 120 HG11 VAL 20 1HG1 VAL 20 9.650 9.397 -9.036 121 HG12 VAL 20 2HG1 VAL 20 9.706 11.148 -9.255 122 HG13 VAL 20 3HG1 VAL 20 8.166 10.345 -8.946 123 HG21 VAL 20 3HG2 VAL 20 9.349 12.168 -11.001 124 HG22 VAL 20 1HG2 VAL 20 9.476 11.345 -12.556 125 HG23 VAL 20 2HG2 VAL 20 7.889 11.696 -11.870 126 H GLN 21 H GLN 21 11.712 8.648 -9.716 127 HA GLN 21 HA GLN 21 13.827 10.284 -10.880 128 HB2 GLN 21 1HB GLN 21 12.848 10.654 -8.044 129 HB3 GLN 21 2HB GLN 21 14.271 11.418 -8.739 130 HG2 GLN 21 1HG GLN 21 11.522 11.799 -9.879 131 HG3 GLN 21 2HG GLN 21 12.168 12.817 -8.593 132 HE21 GLN 21 1HE2 GLN 21 14.555 13.504 -9.163 133 HE22 GLN 21 2HE2 GLN 21 14.727 14.207 -10.731 134 H ASP 22 H ASP 22 15.899 10.025 -9.568 135 HA ASP 22 HA ASP 22 16.651 7.361 -9.494 136 HB2 ASP 22 1HB ASP 22 18.681 8.105 -8.361 137 HB3 ASP 22 2HB ASP 22 18.242 9.239 -9.636 138 H SER 23 H SER 23 15.481 9.429 -6.886 139 HA SER 23 HA SER 23 15.991 7.713 -4.736 140 HB2 SER 23 1HB SER 23 13.816 9.780 -5.118 141 HB3 SER 23 2HB SER 23 14.151 8.976 -3.584 142 HG SER 23 HG SER 23 15.502 10.576 -3.347 143 H GLU 24 H GLU 24 13.111 8.026 -6.790 144 HA GLU 24 HA GLU 24 11.653 5.973 -5.460 145 HB2 GLU 24 1HB GLU 24 11.315 7.320 -8.136 146 HB3 GLU 24 2HB GLU 24 10.220 6.071 -7.561 147 HG2 GLU 24 1HG GLU 24 9.261 8.212 -7.109 148 HG3 GLU 24 2HG GLU 24 9.728 7.464 -5.583 149 H ILE 25 H ILE 25 10.914 3.971 -6.562 150 HA ILE 25 HA ILE 25 12.847 2.853 -8.451 151 HB ILE 25 HB ILE 25 13.857 1.963 -6.581 152 HG12 ILE 25 1HG1 ILE 25 12.787 0.208 -8.184 153 HG13 ILE 25 2HG1 ILE 25 13.486 -0.334 -6.662 154 HG21 ILE 25 1HG2 ILE 25 12.193 0.928 -4.751 155 HG22 ILE 25 2HG2 ILE 25 12.766 2.594 -4.705 156 HG23 ILE 25 3HG2 ILE 25 11.176 2.227 -5.374 157 HD11 ILE 25 3HD1 ILE 25 10.956 -0.888 -7.605 158 HD12 ILE 25 1HD1 ILE 25 11.541 -1.131 -5.959 159 HD13 ILE 25 2HD1 ILE 25 10.691 0.356 -6.384 160 H SER 26 H SER 26 11.993 1.405 -9.867 161 HA SER 26 HA SER 26 9.095 1.093 -9.805 162 HB2 SER 26 1HB SER 26 9.343 0.319 -12.130 163 HB3 SER 26 2HB SER 26 10.132 1.878 -11.888 164 HG SER 26 HG SER 26 11.199 -0.395 -12.769 165 H PHE 27 H PHE 27 8.050 -0.789 -9.495 166 HA PHE 27 HA PHE 27 9.664 -3.242 -9.281 167 HB2 PHE 27 1HB PHE 27 7.982 -3.895 -7.443 168 HB3 PHE 27 2HB PHE 27 9.233 -2.727 -7.031 169 HD1 PHE 27 1HD PHE 27 5.665 -3.217 -7.666 170 HD2 PHE 27 2HD PHE 27 8.690 -0.421 -6.594 171 HE1 PHE 27 1HE PHE 27 3.934 -1.630 -6.934 172 HE2 PHE 27 2HE PHE 27 6.963 1.170 -5.859 173 HZ PHE 27 HZ PHE 27 4.582 0.566 -6.027 174 HA PRO 28 HA PRO 28 6.740 -5.098 -11.982 175 HB2 PRO 28 1HB PRO 28 6.932 -7.690 -11.199 176 HB3 PRO 28 2HB PRO 28 8.196 -6.869 -12.122 177 HG2 PRO 28 1HG PRO 28 8.041 -7.398 -9.180 178 HG3 PRO 28 2HG PRO 28 9.427 -7.559 -10.274 179 HD2 PRO 28 1HD PRO 28 9.096 -5.421 -8.645 180 HD3 PRO 28 2HD PRO 28 9.881 -5.300 -10.233 181 H ALA 29 H ALA 29 4.776 -6.494 -11.997 182 HA ALA 29 HA ALA 29 3.130 -5.883 -9.663 183 HB1 ALA 29 3HB ALA 29 2.412 -6.780 -12.448 184 HB2 ALA 29 1HB ALA 29 1.238 -6.529 -11.155 185 HB3 ALA 29 2HB ALA 29 2.200 -5.175 -11.749 186 H GLY 30 H GLY 30 3.350 -7.409 -8.122 187 HA2 GLY 30 1HA GLY 30 2.157 -9.621 -7.684 188 HA3 GLY 30 2HA GLY 30 3.203 -10.235 -8.955 189 H VAL 31 H VAL 31 4.353 -7.852 -6.696 190 HA VAL 31 HA VAL 31 5.875 -9.940 -5.282 191 HB VAL 31 HB VAL 31 7.787 -8.338 -5.158 192 HG11 VAL 31 1HG1 VAL 31 7.074 -8.985 -8.008 193 HG12 VAL 31 2HG1 VAL 31 8.677 -8.911 -7.274 194 HG13 VAL 31 3HG1 VAL 31 7.567 -10.211 -6.840 195 HG21 VAL 31 3HG2 VAL 31 7.032 -6.215 -5.570 196 HG22 VAL 31 1HG2 VAL 31 7.662 -6.633 -7.164 197 HG23 VAL 31 2HG2 VAL 31 5.930 -6.736 -6.845 198 H GLU 32 H GLU 32 6.614 -9.338 -3.145 199 HA GLU 32 HA GLU 32 4.708 -7.549 -1.831 200 HB2 GLU 32 1HB GLU 32 4.930 -9.869 -0.997 201 HB3 GLU 32 2HB GLU 32 6.619 -9.556 -0.622 202 HG2 GLU 32 1HG GLU 32 6.110 -8.175 1.153 203 HG3 GLU 32 2HG GLU 32 4.493 -7.822 0.549 204 H VAL 33 H VAL 33 5.304 -5.790 -0.642 205 HA VAL 33 HA VAL 33 8.173 -5.144 -0.520 206 HB VAL 33 HB VAL 33 7.518 -2.732 -0.885 207 HG11 VAL 33 1HG1 VAL 33 7.584 -4.885 -2.895 208 HG12 VAL 33 2HG1 VAL 33 6.970 -3.328 -3.456 209 HG13 VAL 33 3HG1 VAL 33 8.581 -3.438 -2.745 210 HG21 VAL 33 3HG2 VAL 33 5.242 -3.070 -2.472 211 HG22 VAL 33 1HG2 VAL 33 4.910 -3.947 -0.978 212 HG23 VAL 33 2HG2 VAL 33 5.348 -2.240 -0.919 213 H GLN 34 H GLN 34 8.528 -3.204 0.996 214 HA GLN 34 HA GLN 34 6.771 -3.488 3.344 215 HB2 GLN 34 1HB GLN 34 9.098 -4.536 3.498 216 HB3 GLN 34 2HB GLN 34 9.720 -2.891 3.493 217 HG2 GLN 34 1HG GLN 34 8.404 -2.400 5.503 218 HG3 GLN 34 2HG GLN 34 7.829 -4.067 5.517 219 HE21 GLN 34 1HE2 GLN 34 8.734 -4.280 7.611 220 HE22 GLN 34 2HE2 GLN 34 10.430 -4.533 7.820 221 H VAL 35 H VAL 35 5.724 -1.675 3.784 222 HA VAL 35 HA VAL 35 6.612 0.856 2.707 223 HB VAL 35 HB VAL 35 4.202 0.101 4.359 224 HG11 VAL 35 1HG1 VAL 35 4.795 2.780 3.110 225 HG12 VAL 35 2HG1 VAL 35 3.377 2.339 4.064 226 HG13 VAL 35 3HG1 VAL 35 4.965 2.419 4.828 227 HG21 VAL 35 3HG2 VAL 35 4.130 -0.722 2.085 228 HG22 VAL 35 1HG2 VAL 35 2.988 0.610 2.269 229 HG23 VAL 35 2HG2 VAL 35 4.533 0.877 1.462 230 H LEU 36 H LEU 36 8.323 1.710 3.751 231 HA LEU 36 HA LEU 36 8.788 1.468 6.537 232 HB2 LEU 36 1HB LEU 36 9.917 3.419 4.536 233 HB3 LEU 36 2HB LEU 36 10.529 3.177 6.170 234 HG LEU 36 HG LEU 36 10.487 1.021 4.063 235 HD11 LEU 36 1HD1 LEU 36 13.057 2.198 4.839 236 HD12 LEU 36 2HD1 LEU 36 12.010 3.265 3.903 237 HD13 LEU 36 3HD1 LEU 36 12.468 1.690 3.256 238 HD21 LEU 36 3HD2 LEU 36 11.347 -0.342 5.610 239 HD22 LEU 36 1HD2 LEU 36 10.761 0.833 6.788 240 HD23 LEU 36 2HD2 LEU 36 12.433 0.902 6.232 241 H GLU 37 H GLU 37 7.891 4.321 4.585 242 HA GLU 37 HA GLU 37 6.449 5.353 6.932 243 HB2 GLU 37 1HB GLU 37 8.721 6.465 6.440 244 HB3 GLU 37 2HB GLU 37 7.925 7.161 5.035 245 HG2 GLU 37 1HG GLU 37 6.645 7.466 7.702 246 HG3 GLU 37 2HG GLU 37 8.050 8.456 7.308 247 H LYS 38 H LYS 38 4.709 6.820 6.444 248 HA LYS 38 HA LYS 38 3.744 6.688 3.670 249 HB2 LYS 38 1HB LYS 38 2.237 5.995 6.185 250 HB3 LYS 38 2HB LYS 38 1.410 6.442 4.698 251 HG2 LYS 38 1HG LYS 38 2.895 4.564 3.653 252 HG3 LYS 38 2HG LYS 38 3.001 4.003 5.323 253 HD2 LYS 38 1HD LYS 38 0.323 4.688 4.210 254 HD3 LYS 38 2HD LYS 38 1.081 3.171 3.720 255 HE2 LYS 38 1HE LYS 38 -0.113 2.509 5.575 256 HE3 LYS 38 2HE LYS 38 1.463 2.863 6.282 257 HZ1 LYS 38 3HZ LYS 38 0.498 4.334 7.602 258 HZ2 LYS 38 1HZ LYS 38 -1.013 3.996 6.920 259 HZ3 LYS 38 2HZ LYS 38 -0.046 5.220 6.267 260 H GLN 39 H GLN 39 3.160 8.602 2.881 261 HA GLN 39 HA GLN 39 2.928 10.856 4.736 262 HB2 GLN 39 1HB GLN 39 3.521 10.639 1.798 263 HB3 GLN 39 2HB GLN 39 3.022 12.170 2.507 264 HG2 GLN 39 1HG GLN 39 5.342 10.597 3.575 265 HG3 GLN 39 2HG GLN 39 5.512 11.755 2.256 266 HE21 GLN 39 1HE2 GLN 39 6.042 13.731 2.825 267 HE22 GLN 39 2HE2 GLN 39 5.765 14.460 4.366 268 H GLU 40 H GLU 40 1.077 11.942 5.050 269 HA GLU 40 HA GLU 40 -1.398 10.908 4.501 270 HB2 GLU 40 1HB GLU 40 -0.613 13.798 4.897 271 HB3 GLU 40 2HB GLU 40 -2.277 13.229 4.893 272 HG2 GLU 40 1HG GLU 40 -1.658 11.701 6.780 273 HG3 GLU 40 2HG GLU 40 -0.106 12.533 6.850 274 H SER 41 H SER 41 0.525 13.078 2.511 275 HA SER 41 HA SER 41 -1.271 13.976 0.662 276 HB2 SER 41 1HB SER 41 1.558 13.004 0.219 277 HB3 SER 41 2HB SER 41 0.623 13.870 -1.000 278 HG SER 41 HG SER 41 2.084 14.940 0.848 279 H GLY 42 H GLY 42 0.523 10.899 0.428 280 HA2 GLY 42 1HA GLY 42 -1.421 9.171 -0.250 281 HA3 GLY 42 2HA GLY 42 -1.164 10.025 -1.764 282 H TRP 43 H TRP 43 1.652 10.392 -1.484 283 HA TRP 43 HA TRP 43 2.527 7.854 -2.465 284 HB2 TRP 43 1HB TRP 43 3.943 10.464 -1.933 285 HB3 TRP 43 2HB TRP 43 4.791 9.034 -2.517 286 HD1 TRP 43 HD TRP 43 2.105 11.561 -3.619 287 HE1 TRP 43 1HE TRP 43 1.971 11.529 -6.190 288 HE3 TRP 43 3HE TRP 43 5.269 7.654 -4.548 289 HZ2 TRP 43 2HZ TRP 43 3.062 10.043 -8.328 290 HZ3 TRP 43 3HZ TRP 43 5.669 6.990 -6.883 291 HH2 TRP 43 HH TRP 43 4.587 8.161 -8.733 292 H TRP 44 H TRP 44 3.475 6.235 -1.405 293 HA TRP 44 HA TRP 44 4.336 6.724 1.371 294 HB2 TRP 44 1HB TRP 44 3.301 4.162 0.136 295 HB3 TRP 44 2HB TRP 44 3.822 4.356 1.808 296 HD1 TRP 44 HD TRP 44 2.178 7.419 1.544 297 HE1 TRP 44 1HE TRP 44 -0.324 7.312 2.138 298 HE3 TRP 44 3HE TRP 44 1.464 2.373 1.140 299 HZ2 TRP 44 2HZ TRP 44 -2.334 5.348 2.401 300 HZ3 TRP 44 3HZ TRP 44 -0.779 1.461 1.579 301 HH2 TRP 44 HH TRP 44 -2.637 2.919 2.197 302 H TYR 45 H TYR 45 6.225 5.704 2.123 303 HA TYR 45 HA TYR 45 8.208 5.276 0.049 304 HB2 TYR 45 1HB TYR 45 8.511 6.650 2.227 305 HB3 TYR 45 2HB TYR 45 8.741 5.086 3.001 306 HD1 TYR 45 1HD TYR 45 9.880 6.298 -0.337 307 HD2 TYR 45 2HD TYR 45 10.997 4.977 3.550 308 HE1 TYR 45 1HE TYR 45 12.244 6.316 -1.017 309 HE2 TYR 45 2HE TYR 45 13.364 4.992 2.882 310 HH TYR 45 HH TYR 45 14.578 4.760 0.409 311 H VAL 46 H VAL 46 8.388 3.314 -0.802 312 HA VAL 46 HA VAL 46 7.966 0.969 0.924 313 HB VAL 46 HB VAL 46 7.917 -0.231 -1.379 314 HG11 VAL 46 1HG1 VAL 46 5.979 -0.143 0.003 315 HG12 VAL 46 2HG1 VAL 46 5.714 1.561 -0.376 316 HG13 VAL 46 3HG1 VAL 46 5.487 0.333 -1.622 317 HG21 VAL 46 3HG2 VAL 46 6.995 2.447 -2.354 318 HG22 VAL 46 1HG2 VAL 46 8.687 1.967 -2.492 319 HG23 VAL 46 2HG2 VAL 46 7.432 1.013 -3.283 320 H ARG 47 H ARG 47 9.313 -0.973 0.295 321 HA ARG 47 HA ARG 47 12.012 -0.207 -0.571 322 HB2 ARG 47 1HB ARG 47 12.102 -0.206 1.842 323 HB3 ARG 47 2HB ARG 47 11.310 -1.774 1.914 324 HG2 ARG 47 1HG ARG 47 13.207 -2.895 1.122 325 HG3 ARG 47 2HG ARG 47 13.952 -1.402 0.546 326 HD2 ARG 47 1HD ARG 47 13.822 -0.729 3.076 327 HD3 ARG 47 2HD ARG 47 13.733 -2.473 3.322 328 HE ARG 47 HE ARG 47 16.021 -0.950 2.419 329 HH11 ARG 47 1HH1 ARG 47 14.535 -4.085 2.703 330 HH12 ARG 47 2HH1 ARG 47 16.032 -4.950 2.580 331 HH21 ARG 47 1HH2 ARG 47 17.998 -2.076 2.257 332 HH22 ARG 47 2HH2 ARG 47 18.000 -3.806 2.327 333 H PHE 48 H PHE 48 12.654 -1.463 -2.181 334 HA PHE 48 HA PHE 48 11.527 -4.177 -2.382 335 HB2 PHE 48 1HB PHE 48 10.854 -2.652 -4.213 336 HB3 PHE 48 2HB PHE 48 12.551 -2.411 -4.616 337 HD1 PHE 48 2HD PHE 48 10.596 -5.476 -3.790 338 HD2 PHE 48 1HD PHE 48 12.964 -3.396 -6.650 339 HE1 PHE 48 2HE PHE 48 10.517 -7.436 -5.275 340 HE2 PHE 48 1HE PHE 48 12.888 -5.352 -8.140 341 HZ PHE 48 HZ PHE 48 11.665 -7.376 -7.453 342 H GLY 49 H GLY 49 13.119 -5.246 -1.222 343 HA2 GLY 49 1HA GLY 49 15.060 -6.475 -1.059 344 HA3 GLY 49 2HA GLY 49 15.464 -5.944 -2.685 345 H GLU 50 H GLU 50 17.199 -4.700 -2.872 346 HA GLU 50 HA GLU 50 18.341 -3.518 -0.459 347 HB2 GLU 50 1HB GLU 50 19.703 -4.948 -2.038 348 HB3 GLU 50 2HB GLU 50 19.571 -3.647 -3.212 349 HG2 GLU 50 1HG GLU 50 21.655 -3.364 -2.181 350 HG3 GLU 50 2HG GLU 50 20.605 -2.140 -1.470 351 H LEU 51 H LEU 51 16.322 -2.587 -2.913 352 HA LEU 51 HA LEU 51 17.279 0.193 -2.896 353 HB2 LEU 51 1HB LEU 51 15.251 -1.071 -4.731 354 HB3 LEU 51 2HB LEU 51 15.954 0.539 -4.878 355 HG LEU 51 HG LEU 51 18.196 -0.679 -5.161 356 HD11 LEU 51 1HD1 LEU 51 16.256 -2.944 -5.547 357 HD12 LEU 51 2HD1 LEU 51 17.649 -2.873 -4.468 358 HD13 LEU 51 3HD1 LEU 51 17.889 -2.948 -6.214 359 HD21 LEU 51 3HD2 LEU 51 16.946 0.501 -6.946 360 HD22 LEU 51 1HD2 LEU 51 16.111 -1.008 -7.315 361 HD23 LEU 51 2HD2 LEU 51 17.857 -0.889 -7.535 362 H GLU 52 H GLU 52 15.647 1.898 -2.766 363 HA GLU 52 HA GLU 52 13.102 1.166 -1.561 364 HB2 GLU 52 1HB GLU 52 15.120 2.914 -0.143 365 HB3 GLU 52 2HB GLU 52 13.452 2.687 0.363 366 HG2 GLU 52 1HG GLU 52 13.814 0.526 1.067 367 HG3 GLU 52 2HG GLU 52 15.225 0.314 0.032 368 H GLY 53 H GLY 53 11.566 2.384 -2.435 369 HA2 GLY 53 1HA GLY 53 12.194 5.167 -3.150 370 HA3 GLY 53 2HA GLY 53 11.498 4.105 -4.365 371 H TRP 54 H TRP 54 10.115 6.303 -3.922 372 HA TRP 54 HA TRP 54 8.059 5.724 -1.922 373 HB2 TRP 54 1HB TRP 54 8.620 8.173 -3.601 374 HB3 TRP 54 2HB TRP 54 7.219 8.019 -2.545 375 HD1 TRP 54 HD TRP 54 11.059 8.257 -2.378 376 HE1 TRP 54 1HE TRP 54 11.716 9.092 -0.034 377 HE3 TRP 54 3HE TRP 54 6.445 8.208 -0.179 378 HZ2 TRP 54 2HZ TRP 54 10.445 9.654 2.423 379 HZ3 TRP 54 3HZ TRP 54 6.251 8.909 2.172 380 HH2 TRP 54 HH TRP 54 8.211 9.616 3.444 381 H ALA 55 H ALA 55 6.420 4.497 -2.559 382 HA ALA 55 HA ALA 55 5.429 4.799 -5.320 383 HB1 ALA 55 3HB ALA 55 4.911 2.335 -3.715 384 HB2 ALA 55 1HB ALA 55 4.995 2.541 -5.465 385 HB3 ALA 55 2HB ALA 55 6.473 2.555 -4.503 386 HA PRO 56 HA PRO 56 1.586 6.162 -3.663 387 HB2 PRO 56 1HB PRO 56 -0.048 5.485 -5.722 388 HB3 PRO 56 2HB PRO 56 1.078 6.845 -5.796 389 HG2 PRO 56 1HG PRO 56 1.377 4.076 -6.895 390 HG3 PRO 56 2HG PRO 56 1.788 5.629 -7.647 391 HD2 PRO 56 1HD PRO 56 3.646 4.031 -6.494 392 HD3 PRO 56 2HD PRO 56 3.779 5.802 -6.497 393 H SER 57 H SER 57 -0.165 5.386 -2.552 394 HA SER 57 HA SER 57 -0.194 2.604 -1.920 395 HB2 SER 57 1HB SER 57 -1.879 3.142 -0.323 396 HB3 SER 57 2HB SER 57 -0.777 4.518 -0.347 397 HG SER 57 HG SER 57 -2.358 5.369 -1.986 398 H HIS 58 H HIS 58 -1.552 4.378 -4.422 399 HA HIS 58 HA HIS 58 -4.017 2.983 -4.738 400 HB2 HIS 58 1HB HIS 58 -2.506 4.327 -6.969 401 HB3 HIS 58 2HB HIS 58 -4.247 4.144 -6.782 402 HD1 HIS 58 1HD HIS 58 -1.792 6.649 -6.590 403 HD2 HIS 58 2HD HIS 58 -5.050 5.641 -4.216 404 HE1 HIS 58 1HE HIS 58 -2.324 8.719 -5.265 405 HE2 HIS 58 2HE HIS 58 -4.244 8.059 -3.774 406 H TYR 59 H TYR 59 -0.728 2.404 -5.725 407 HA TYR 59 HA TYR 59 -1.470 0.297 -7.575 408 HB2 TYR 59 1HB TYR 59 1.178 1.409 -6.656 409 HB3 TYR 59 2HB TYR 59 1.061 -0.007 -7.695 410 HD1 TYR 59 1HD TYR 59 -0.580 3.358 -7.600 411 HD2 TYR 59 2HD TYR 59 1.529 0.463 -9.896 412 HE1 TYR 59 1HE TYR 59 -0.724 4.824 -9.570 413 HE2 TYR 59 2HE TYR 59 1.391 1.921 -11.872 414 HH TYR 59 HH TYR 59 0.410 3.762 -12.737 415 H LEU 60 H LEU 60 -0.428 0.647 -4.279 416 HA LEU 60 HA LEU 60 0.280 -2.121 -3.936 417 HB2 LEU 60 1HB LEU 60 -0.202 0.066 -1.919 418 HB3 LEU 60 2HB LEU 60 0.434 -1.535 -1.544 419 HG LEU 60 HG LEU 60 1.822 0.409 -3.381 420 HD11 LEU 60 1HD1 LEU 60 3.081 0.035 -0.818 421 HD12 LEU 60 2HD1 LEU 60 1.462 0.708 -0.633 422 HD13 LEU 60 3HD1 LEU 60 2.647 1.527 -1.651 423 HD21 LEU 60 3HD2 LEU 60 2.936 -1.946 -1.874 424 HD22 LEU 60 1HD2 LEU 60 3.699 -1.016 -3.165 425 HD23 LEU 60 2HD2 LEU 60 2.323 -2.059 -3.525 426 H VAL 61 H VAL 61 -0.904 -3.730 -2.981 427 HA VAL 61 HA VAL 61 -3.786 -3.250 -2.817 428 HB VAL 61 HB VAL 61 -2.249 -5.852 -2.858 429 HG11 VAL 61 1HG1 VAL 61 -4.699 -5.504 -1.775 430 HG12 VAL 61 2HG1 VAL 61 -5.131 -5.818 -3.457 431 HG13 VAL 61 3HG1 VAL 61 -4.169 -6.992 -2.558 432 HG21 VAL 61 3HG2 VAL 61 -3.604 -4.223 -4.968 433 HG22 VAL 61 1HG2 VAL 61 -2.037 -5.032 -5.009 434 HG23 VAL 61 2HG2 VAL 61 -3.521 -5.978 -5.125 435 H LEU 62 H LEU 62 -4.763 -3.034 -0.921 436 HA LEU 62 HA LEU 62 -3.561 -4.298 1.447 437 HB2 LEU 62 1HB LEU 62 -4.594 -2.216 2.649 438 HB3 LEU 62 2HB LEU 62 -2.993 -2.139 1.916 439 HG LEU 62 HG LEU 62 -5.370 -1.264 0.334 440 HD11 LEU 62 1HD1 LEU 62 -4.021 0.865 1.812 441 HD12 LEU 62 2HD1 LEU 62 -4.975 -0.218 2.825 442 HD13 LEU 62 3HD1 LEU 62 -5.735 0.624 1.475 443 HD21 LEU 62 3HD2 LEU 62 -2.911 -1.501 -0.464 444 HD22 LEU 62 1HD2 LEU 62 -2.664 0.004 0.423 445 HD23 LEU 62 2HD2 LEU 62 -3.830 -0.059 -0.899 446 H ASP 63 H ASP 63 -4.964 -5.915 1.813 447 HA ASP 63 HA ASP 63 -6.960 -7.043 2.017 448 HB2 ASP 63 1HB ASP 63 -6.524 -5.602 4.158 449 HB3 ASP 63 2HB ASP 63 -7.914 -4.678 3.593 450 H GLU 64 H GLU 64 -6.822 -5.179 -0.277 451 HA GLU 64 HA GLU 64 -9.708 -4.663 -0.585 452 HB2 GLU 64 1HB GLU 64 -8.558 -2.558 -0.592 453 HB3 GLU 64 2HB GLU 64 -7.351 -3.158 -1.721 454 HG2 GLU 64 1HG GLU 64 -8.673 -1.918 -3.109 455 HG3 GLU 64 2HG GLU 64 -9.405 -3.511 -3.287 456 H ASN 65 H ASN 65 -10.274 -6.586 -1.534 457 HA ASN 65 HA ASN 65 -10.691 -7.972 -3.298 458 HB2 ASN 65 1HB ASN 65 -10.334 -5.743 -4.597 459 HB3 ASN 65 2HB ASN 65 -8.774 -6.438 -5.028 460 HD21 ASN 65 1HD2 ASN 65 -12.061 -6.297 -5.743 461 HD22 ASN 65 2HD2 ASN 65 -12.114 -7.557 -6.924 462 H GLU 66 H GLU 66 -8.877 -8.777 -1.453 463 HA GLU 66 HA GLU 66 -7.010 -10.339 -3.088 464 HB2 GLU 66 1HB GLU 66 -5.229 -10.047 -1.428 465 HB3 GLU 66 2HB GLU 66 -5.705 -8.508 -2.134 466 HG2 GLU 66 1HG GLU 66 -6.734 -7.784 -0.194 467 HG3 GLU 66 2HG GLU 66 -6.911 -9.418 0.441 468 H GLN 67 H GLN 67 -5.937 -12.064 -1.540 469 HA GLN 67 HA GLN 67 -8.157 -13.316 -0.071 470 HB2 GLN 67 1HB GLN 67 -7.197 -15.442 -0.579 471 HB3 GLN 67 2HB GLN 67 -7.226 -14.515 -2.073 472 HG2 GLN 67 1HG GLN 67 -4.851 -13.971 -1.759 473 HG3 GLN 67 2HG GLN 67 -4.836 -14.957 -0.298 474 HE21 GLN 67 1HE2 GLN 67 -3.394 -15.170 -2.894 475 HE22 GLN 67 2HE2 GLN 67 -3.706 -16.777 -3.446 476 HA PRO 68 HA PRO 68 -5.950 -12.902 3.712 477 HB2 PRO 68 1HB PRO 68 -7.093 -14.932 5.107 478 HB3 PRO 68 2HB PRO 68 -7.933 -13.418 4.752 479 HG2 PRO 68 1HG PRO 68 -8.125 -16.062 3.362 480 HG3 PRO 68 2HG PRO 68 -9.421 -14.938 3.811 481 HD2 PRO 68 1HD PRO 68 -8.432 -15.091 1.295 482 HD3 PRO 68 2HD PRO 68 -9.041 -13.576 1.991 483 H ASP 69 H ASP 69 -4.224 -13.777 4.825 484 HA ASP 69 HA ASP 69 -3.424 -16.503 4.575 485 HB2 ASP 69 1HB ASP 69 -2.513 -16.164 2.493 486 HB3 ASP 69 2HB ASP 69 -2.211 -14.454 2.785 487 HA PRO 70 HA PRO 70 -1.420 -15.368 8.324 488 HB2 PRO 70 1HB PRO 70 0.261 -17.485 8.573 489 HB3 PRO 70 2HB PRO 70 -1.480 -17.603 8.855 490 HG2 PRO 70 1HG PRO 70 0.101 -18.357 6.428 491 HG3 PRO 70 2HG PRO 70 -1.224 -19.233 7.217 492 HD2 PRO 70 1HD PRO 70 -1.589 -17.741 4.987 493 HD3 PRO 70 2HD PRO 70 -2.845 -17.927 6.227 494 H SER 71 H SER 71 0.536 -14.563 9.137 495 HA SER 71 HA SER 71 2.796 -14.419 7.273 496 HB2 SER 71 1HB SER 71 1.309 -12.342 7.154 497 HB3 SER 71 2HB SER 71 1.850 -11.991 8.795 498 HG SER 71 HG SER 71 3.694 -12.493 6.719 499 H GLY 72 H GLY 72 4.760 -13.429 8.408 500 HA2 GLY 72 1HA GLY 72 4.789 -13.987 11.286 501 HA3 GLY 72 2HA GLY 72 5.887 -14.898 10.259 502 H LYS 73 H LYS 73 5.170 -11.798 11.665 503 HA LYS 73 HA LYS 73 6.820 -10.029 10.477 504 HB2 LYS 73 1HB LYS 73 7.016 -8.873 12.549 505 HB3 LYS 73 2HB LYS 73 5.448 -9.668 12.563 506 HG2 LYS 73 1HG LYS 73 7.780 -11.061 13.780 507 HG3 LYS 73 2HG LYS 73 7.009 -9.739 14.658 508 HD2 LYS 73 1HD LYS 73 4.822 -10.923 14.332 509 HD3 LYS 73 2HD LYS 73 5.733 -12.292 13.689 510 HE2 LYS 73 1HE LYS 73 5.312 -12.738 15.988 511 HE3 LYS 73 2HE LYS 73 7.020 -12.326 15.838 512 HZ1 LYS 73 3HZ LYS 73 5.101 -11.124 17.467 513 HZ2 LYS 73 1HZ LYS 73 5.560 -9.976 16.311 514 HZ3 LYS 73 2HZ LYS 73 6.730 -10.702 17.293 515 H GLU 74 H GLU 74 9.009 -9.316 10.824 516 HA GLU 74 HA GLU 74 10.844 -11.330 11.897 517 HB2 GLU 74 1HB GLU 74 12.283 -11.206 9.939 518 HB3 GLU 74 2HB GLU 74 10.676 -11.747 9.477 519 HG2 GLU 74 1HG GLU 74 10.134 -9.597 8.587 520 HG3 GLU 74 2HG GLU 74 11.629 -8.907 9.216 521 H SER 75 H SER 75 13.157 -10.417 11.887 522 HA SER 75 HA SER 75 13.213 -8.113 13.471 523 HB2 SER 75 1HB SER 75 14.976 -10.028 13.148 524 HB3 SER 75 2HB SER 75 15.628 -8.958 11.908 525 HG SER 75 HG SER 75 16.478 -7.824 13.444 526 H GLY 76 H GLY 76 14.646 -6.167 12.929 527 HA2 GLY 76 1HA GLY 76 14.931 -5.298 10.256 528 HA3 GLY 76 2HA GLY 76 13.431 -4.663 10.915 529 HA PRO 77 HA PRO 77 17.386 -2.296 12.320 530 HB2 PRO 77 1HB PRO 77 17.662 -0.486 10.315 531 HB3 PRO 77 2HB PRO 77 18.497 -2.044 10.325 532 HG2 PRO 77 1HG PRO 77 15.998 -1.244 8.884 533 HG3 PRO 77 2HG PRO 77 17.371 -2.201 8.296 534 HD2 PRO 77 1HD PRO 77 15.051 -3.332 9.115 535 HD3 PRO 77 2HD PRO 77 16.624 -4.129 9.314 536 H SER 78 H SER 78 17.474 0.222 12.507 537 HA SER 78 HA SER 78 14.835 1.453 12.478 538 HB2 SER 78 1HB SER 78 14.838 2.024 14.819 539 HB3 SER 78 2HB SER 78 15.069 0.280 14.689 540 HG SER 78 HG SER 78 16.575 1.924 15.998 541 H SER 79 H SER 79 14.918 3.591 12.086 542 HA SER 79 HA SER 79 15.854 5.529 11.299 543 HB2 SER 79 1HB SER 79 16.961 5.091 14.041 544 HB3 SER 79 2HB SER 79 17.571 6.447 13.093 545 HG SER 79 HG SER 79 15.204 6.899 12.776 546 H GLY 80 H GLY 80 17.003 3.420 10.002 547 HA2 GLY 80 1HA GLY 80 19.750 4.408 9.637 548 HA3 GLY 80 2HA GLY 80 19.479 2.684 9.842
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