NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
457024 | 2km0 | 16408 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 1HT VAL 1 7.870 -3.495 2.629 2 H2 VAL 1 2HT VAL 1 6.689 -4.420 3.406 3 H3 VAL 1 3HT VAL 1 8.325 -4.664 3.769 4 HA VAL 1 HA VAL 1 8.498 -2.509 4.763 5 HB VAL 1 HB VAL 1 6.727 -1.515 3.212 6 HG11 VAL 1 2HG1 VAL 1 4.937 -3.086 3.625 7 HG12 VAL 1 3HG1 VAL 1 4.429 -1.458 4.068 8 HG13 VAL 1 1HG1 VAL 1 4.881 -2.613 5.322 9 HG21 VAL 1 1HG2 VAL 1 6.058 0.204 4.817 10 HG22 VAL 1 2HG2 VAL 1 7.761 -0.219 4.993 11 HG23 VAL 1 3HG2 VAL 1 6.576 -0.834 6.144 12 H ASP 2 H ASP 2 7.625 -1.990 6.931 13 HA ASP 2 HA ASP 2 7.255 -4.411 8.391 14 HB2 ASP 2 2HB ASP 2 7.406 -3.061 10.332 15 HB3 ASP 2 1HB ASP 2 8.518 -2.358 9.175 16 H MET 3 H MET 3 5.510 -4.801 9.881 17 HA MET 3 HA MET 3 2.947 -3.772 8.878 18 HB2 MET 3 2HB MET 3 3.417 -6.365 10.350 19 HB3 MET 3 1HB MET 3 1.939 -5.849 9.554 20 HG2 MET 3 2HG MET 3 4.539 -6.613 8.258 21 HG3 MET 3 1HG MET 3 3.013 -7.484 8.197 22 HE1 MET 3 3HE MET 3 0.805 -5.118 6.002 23 HE2 MET 3 1HE MET 3 1.087 -4.572 7.657 24 HE3 MET 3 2HE MET 3 0.818 -6.287 7.322 25 H SER 4 H SER 4 4.739 -2.598 10.879 26 HA SER 4 HA SER 4 3.236 -2.918 13.368 27 HB2 SER 4 2HB SER 4 5.751 -2.895 13.370 28 HB3 SER 4 1HB SER 4 5.687 -1.226 12.810 29 HG SER 4 HG SER 4 5.918 -1.573 15.144 30 H ASN 5 H ASN 5 3.989 -0.609 10.831 31 HA ASN 5 HA ASN 5 2.431 1.483 12.124 32 HB2 ASN 5 2HB ASN 5 4.057 1.382 9.592 33 HB3 ASN 5 1HB ASN 5 3.036 2.763 9.989 34 HD21 ASN 5 1HD2 ASN 5 5.950 2.604 9.717 35 HD22 ASN 5 2HD2 ASN 5 6.583 3.149 11.233 36 H VAL 6 H VAL 6 1.723 -1.114 10.197 37 HA VAL 6 HA VAL 6 -0.338 0.113 8.579 38 HB VAL 6 HB VAL 6 0.972 -1.865 7.784 39 HG11 VAL 6 1HG1 VAL 6 0.413 -4.071 8.664 40 HG12 VAL 6 2HG1 VAL 6 -0.555 -3.308 9.926 41 HG13 VAL 6 3HG1 VAL 6 1.185 -3.032 9.862 42 HG21 VAL 6 3HG2 VAL 6 -0.923 -3.120 6.874 43 HG22 VAL 6 1HG2 VAL 6 -1.177 -1.377 6.765 44 HG23 VAL 6 2HG2 VAL 6 -2.000 -2.312 8.016 45 H VAL 7 H VAL 7 -2.591 -0.239 8.819 46 HA VAL 7 HA VAL 7 -3.403 -1.354 11.423 47 HB VAL 7 HB VAL 7 -3.706 1.086 11.395 48 HG11 VAL 7 1HG1 VAL 7 -5.563 0.580 9.078 49 HG12 VAL 7 2HG1 VAL 7 -4.031 1.452 9.031 50 HG13 VAL 7 3HG1 VAL 7 -5.393 2.112 9.935 51 HG21 VAL 7 3HG2 VAL 7 -5.234 -0.279 12.721 52 HG22 VAL 7 1HG2 VAL 7 -6.319 -0.423 11.339 53 HG23 VAL 7 2HG2 VAL 7 -6.049 1.150 12.088 54 H LYS 8 H LYS 8 -3.996 -1.137 7.990 55 HA LYS 8 HA LYS 8 -5.781 -3.447 8.189 56 HB2 LYS 8 2HB LYS 8 -7.167 -1.325 8.082 57 HB3 LYS 8 1HB LYS 8 -6.481 -1.045 6.488 58 HG2 LYS 8 2HG LYS 8 -8.604 -2.025 6.168 59 HG3 LYS 8 1HG LYS 8 -7.406 -3.268 5.802 60 HD2 LYS 8 2HD LYS 8 -7.772 -4.344 7.895 61 HD3 LYS 8 1HD LYS 8 -8.760 -3.003 8.479 62 HE2 LYS 8 2HE LYS 8 -10.409 -3.498 6.703 63 HE3 LYS 8 1HE LYS 8 -9.440 -4.892 6.227 64 HZ1 LYS 8 3HZ LYS 8 -11.349 -5.383 7.732 65 HZ2 LYS 8 1HZ LYS 8 -10.542 -4.537 8.957 66 HZ3 LYS 8 2HZ LYS 8 -9.849 -5.938 8.293 67 H THR 9 H THR 9 -5.290 -4.920 6.715 68 HA THR 9 HA THR 9 -3.860 -4.037 4.299 69 HB THR 9 HB THR 9 -3.308 -6.537 5.901 70 HG1 THR 9 1HG THR 9 -2.196 -5.006 6.935 71 HG21 THR 9 3HG2 THR 9 -1.470 -6.897 4.305 72 HG22 THR 9 1HG2 THR 9 -2.017 -5.504 3.374 73 HG23 THR 9 2HG2 THR 9 -3.041 -6.933 3.504 74 H TYR 10 H TYR 10 -4.873 -4.562 2.493 75 HA TYR 10 HA TYR 10 -6.994 -6.586 2.607 76 HB2 TYR 10 2HB TYR 10 -6.442 -4.688 0.328 77 HB3 TYR 10 1HB TYR 10 -7.917 -5.588 0.650 78 HD1 TYR 10 2HD TYR 10 -9.138 -4.972 2.900 79 HD2 TYR 10 1HD TYR 10 -6.306 -2.491 0.937 80 HE1 TYR 10 2HE TYR 10 -10.039 -3.007 4.089 81 HE2 TYR 10 1HE TYR 10 -7.186 -0.524 2.097 82 HH TYR 10 HH TYR 10 -9.172 0.210 3.219 83 H ASP 11 H ASP 11 -6.973 -8.382 1.327 84 HA ASP 11 HA ASP 11 -4.497 -8.959 -0.100 85 HB2 ASP 11 2HB ASP 11 -6.832 -10.628 0.772 86 HB3 ASP 11 1HB ASP 11 -5.729 -11.224 -0.467 87 H LEU 12 H LEU 12 -4.286 -8.784 -2.207 88 HA LEU 12 HA LEU 12 -6.594 -7.834 -3.699 89 HB2 LEU 12 2HB LEU 12 -3.629 -7.768 -4.123 90 HB3 LEU 12 1HB LEU 12 -4.717 -7.457 -5.457 91 HG LEU 12 HG LEU 12 -4.176 -5.328 -4.681 92 HD11 LEU 12 1HD1 LEU 12 -6.729 -6.078 -3.271 93 HD12 LEU 12 2HD1 LEU 12 -6.571 -5.542 -4.943 94 HD13 LEU 12 3HD1 LEU 12 -6.198 -4.434 -3.623 95 HD21 LEU 12 3HD2 LEU 12 -4.555 -6.341 -1.872 96 HD22 LEU 12 1HD2 LEU 12 -4.156 -4.682 -2.320 97 HD23 LEU 12 2HD2 LEU 12 -3.019 -5.985 -2.662 98 H GLN 13 H GLN 13 -7.371 -8.738 -5.574 99 HA GLN 13 HA GLN 13 -7.214 -11.527 -5.940 100 HB2 GLN 13 2HB GLN 13 -8.066 -9.380 -7.890 101 HB3 GLN 13 1HB GLN 13 -8.387 -11.095 -8.074 102 HG2 GLN 13 2HG GLN 13 -9.804 -11.096 -6.140 103 HG3 GLN 13 1HG GLN 13 -9.379 -9.421 -5.781 104 HE21 GLN 13 1HE2 GLN 13 -12.003 -10.539 -6.236 105 HE22 GLN 13 2HE2 GLN 13 -12.661 -9.680 -7.591 106 H ASP 14 H ASP 14 -5.258 -8.955 -7.030 107 HA ASP 14 HA ASP 14 -4.074 -10.207 -9.289 108 HB2 ASP 14 2HB ASP 14 -4.051 -7.825 -9.152 109 HB3 ASP 14 1HB ASP 14 -3.275 -7.861 -7.575 110 H GLY 15 H GLY 15 -3.691 -10.598 -5.935 111 HA2 GLY 15 2HA GLY 15 -2.368 -12.358 -5.027 112 HA3 GLY 15 1HA GLY 15 -1.283 -12.206 -6.402 113 H SER 16 H SER 16 -1.825 -9.155 -5.683 114 HA SER 16 HA SER 16 0.526 -8.888 -4.015 115 HB2 SER 16 2HB SER 16 -1.223 -6.748 -5.243 116 HB3 SER 16 1HB SER 16 0.349 -6.512 -4.478 117 HG SER 16 HG SER 16 -0.279 -7.588 -6.984 118 H LYS 17 H LYS 17 0.180 -6.836 -2.411 119 HA LYS 17 HA LYS 17 -2.256 -7.249 -0.862 120 HB2 LYS 17 2HB LYS 17 -0.260 -8.893 -0.310 121 HB3 LYS 17 1HB LYS 17 0.378 -7.496 0.541 122 HG2 LYS 17 2HG LYS 17 -1.730 -7.421 1.865 123 HG3 LYS 17 1HG LYS 17 -2.216 -8.927 1.080 124 HD2 LYS 17 2HD LYS 17 -0.116 -9.972 1.922 125 HD3 LYS 17 1HD LYS 17 0.218 -8.483 2.808 126 HE2 LYS 17 2HE LYS 17 -0.761 -9.899 4.391 127 HE3 LYS 17 1HE LYS 17 -2.064 -8.825 3.897 128 HZ1 LYS 17 3HZ LYS 17 -2.836 -10.586 2.379 129 HZ2 LYS 17 1HZ LYS 17 -2.856 -11.072 4.002 130 HZ3 LYS 17 2HZ LYS 17 -1.627 -11.613 2.970 131 H VAL 18 H VAL 18 -2.872 -5.314 -0.014 132 HA VAL 18 HA VAL 18 -0.878 -3.160 -0.174 133 HB VAL 18 HB VAL 18 -2.865 -2.801 -1.557 134 HG11 VAL 18 1HG1 VAL 18 -5.050 -2.384 -0.554 135 HG12 VAL 18 2HG1 VAL 18 -4.410 -2.842 1.023 136 HG13 VAL 18 3HG1 VAL 18 -4.507 -4.037 -0.272 137 HG21 VAL 18 3HG2 VAL 18 -1.772 -0.840 -0.782 138 HG22 VAL 18 1HG2 VAL 18 -2.563 -0.949 0.795 139 HG23 VAL 18 2HG2 VAL 18 -3.512 -0.563 -0.640 140 H HIS 19 H HIS 19 -0.089 -2.359 1.637 141 HA HIS 19 HA HIS 19 -1.427 -3.107 4.143 142 HB2 HIS 19 2HB HIS 19 1.294 -1.844 4.067 143 HB3 HIS 19 1HB HIS 19 0.625 -2.968 5.240 144 HD1 HIS 19 1HD HIS 19 0.115 -5.485 3.879 145 HD2 HIS 19 2HD HIS 19 3.236 -3.013 2.702 146 HE1 HIS 19 1HE HIS 19 1.693 -6.968 2.579 147 HE2 HIS 19 2HE HIS 19 3.693 -5.485 2.115 148 H VAL 20 H VAL 20 -2.903 -1.601 4.550 149 HA VAL 20 HA VAL 20 -2.352 1.208 3.998 150 HB VAL 20 HB VAL 20 -4.847 0.120 5.289 151 HG11 VAL 20 1HG1 VAL 20 -4.515 2.551 5.233 152 HG12 VAL 20 2HG1 VAL 20 -5.884 2.049 4.237 153 HG13 VAL 20 3HG1 VAL 20 -4.350 2.474 3.476 154 HG21 VAL 20 3HG2 VAL 20 -5.820 -0.139 3.056 155 HG22 VAL 20 1HG2 VAL 20 -4.456 -1.232 3.304 156 HG23 VAL 20 2HG2 VAL 20 -4.254 0.228 2.334 157 H PHE 21 H PHE 21 -1.480 2.455 5.469 158 HA PHE 21 HA PHE 21 -1.032 1.330 8.100 159 HB2 PHE 21 2HB PHE 21 0.068 3.882 6.918 160 HB3 PHE 21 1HB PHE 21 0.668 3.017 8.325 161 HD1 PHE 21 2HD PHE 21 1.471 0.549 7.914 162 HD2 PHE 21 1HD PHE 21 1.009 3.476 4.843 163 HE1 PHE 21 2HE PHE 21 3.002 -0.717 6.471 164 HE2 PHE 21 1HE PHE 21 2.538 2.200 3.402 165 HZ PHE 21 HZ PHE 21 3.536 0.105 4.215 166 H LYS 22 H LYS 22 -0.890 3.147 9.868 167 HA LYS 22 HA LYS 22 -3.583 3.478 10.559 168 HB2 LYS 22 2HB LYS 22 -1.134 4.706 11.820 169 HB3 LYS 22 1HB LYS 22 -2.716 4.551 12.580 170 HG2 LYS 22 2HG LYS 22 -2.543 2.113 12.408 171 HG3 LYS 22 1HG LYS 22 -0.943 2.288 11.689 172 HD2 LYS 22 2HD LYS 22 -0.218 3.468 13.769 173 HD3 LYS 22 1HD LYS 22 -1.790 3.072 14.474 174 HE2 LYS 22 2HE LYS 22 -1.309 0.672 14.007 175 HE3 LYS 22 1HE LYS 22 0.315 1.144 13.511 176 HZ1 LYS 22 3HZ LYS 22 0.397 0.435 15.765 177 HZ2 LYS 22 1HZ LYS 22 -0.895 1.444 16.202 178 HZ3 LYS 22 2HZ LYS 22 0.599 2.117 15.762 179 H ASP 23 H ASP 23 -1.336 5.728 9.095 180 HA ASP 23 HA ASP 23 -2.810 8.091 9.664 181 HB2 ASP 23 2HB ASP 23 -0.466 8.184 8.970 182 HB3 ASP 23 1HB ASP 23 -0.888 7.520 7.395 183 H GLY 24 H GLY 24 -3.374 5.507 7.515 184 HA2 GLY 24 2HA GLY 24 -5.496 5.306 6.415 185 HA3 GLY 24 1HA GLY 24 -5.518 7.054 6.219 186 H LYS 25 H LYS 25 -2.475 6.429 5.575 187 HA LYS 25 HA LYS 25 -2.880 6.288 2.708 188 HB2 LYS 25 2HB LYS 25 -0.340 6.553 4.327 189 HB3 LYS 25 1HB LYS 25 -0.447 6.610 2.572 190 HG2 LYS 25 2HG LYS 25 -2.025 8.521 4.239 191 HG3 LYS 25 1HG LYS 25 -0.318 8.816 3.910 192 HD2 LYS 25 2HD LYS 25 -0.866 9.668 1.936 193 HD3 LYS 25 1HD LYS 25 -1.530 8.105 1.460 194 HE2 LYS 25 2HE LYS 25 -3.053 10.216 2.978 195 HE3 LYS 25 1HE LYS 25 -3.117 10.014 1.229 196 HZ1 LYS 25 3HZ LYS 25 -4.943 8.845 1.975 197 HZ2 LYS 25 1HZ LYS 25 -4.143 8.223 3.333 198 HZ3 LYS 25 2HZ LYS 25 -3.787 7.620 1.785 199 H MET 26 H MET 26 -1.896 4.686 1.379 200 HA MET 26 HA MET 26 -1.615 2.135 2.835 201 HB2 MET 26 2HB MET 26 -2.581 2.059 0.044 202 HB3 MET 26 1HB MET 26 -3.082 1.111 1.438 203 HG2 MET 26 2HG MET 26 -4.290 3.103 2.281 204 HG3 MET 26 1HG MET 26 -3.881 3.924 0.776 205 HE1 MET 26 3HE MET 26 -4.098 1.329 -1.192 206 HE2 MET 26 1HE MET 26 -4.677 2.931 -1.649 207 HE3 MET 26 2HE MET 26 -5.739 1.530 -1.803 208 H GLY 27 H GLY 27 0.159 1.013 2.488 209 HA2 GLY 27 2HA GLY 27 1.984 1.919 0.396 210 HA3 GLY 27 1HA GLY 27 2.378 0.826 1.712 211 H MET 28 H MET 28 1.842 1.041 -1.501 212 HA MET 28 HA MET 28 0.525 -1.470 -1.935 213 HB2 MET 28 2HB MET 28 0.314 0.405 -3.506 214 HB3 MET 28 1HB MET 28 2.040 0.330 -3.827 215 HG2 MET 28 2HG MET 28 1.282 -0.816 -5.604 216 HG3 MET 28 1HG MET 28 1.464 -2.144 -4.466 217 HE1 MET 28 3HE MET 28 -2.435 -2.372 -3.325 218 HE2 MET 28 1HE MET 28 -1.192 -1.347 -2.598 219 HE3 MET 28 2HE MET 28 -0.836 -3.040 -2.981 220 H GLU 29 H GLU 29 1.474 -3.386 -1.792 221 HA GLU 29 HA GLU 29 4.224 -3.747 -2.647 222 HB2 GLU 29 2HB GLU 29 3.770 -3.194 0.010 223 HB3 GLU 29 1HB GLU 29 3.675 -4.944 -0.008 224 HG2 GLU 29 2HG GLU 29 5.881 -5.139 -0.835 225 HG3 GLU 29 1HG GLU 29 5.981 -3.409 -1.156 226 H ASN 30 H ASN 30 4.729 -6.217 -2.348 227 HA ASN 30 HA ASN 30 2.281 -7.669 -2.973 228 HB2 ASN 30 2HB ASN 30 3.685 -9.516 -3.660 229 HB3 ASN 30 1HB ASN 30 4.247 -8.046 -4.426 230 HD21 ASN 30 1HD2 ASN 30 6.269 -8.868 -4.817 231 HD22 ASN 30 2HD2 ASN 30 7.429 -9.145 -3.564 232 H LYS 31 H LYS 31 2.144 -9.928 -1.887 233 HA LYS 31 HA LYS 31 1.721 -9.408 0.846 234 HB2 LYS 31 2HB LYS 31 1.037 -11.696 1.086 235 HB3 LYS 31 1HB LYS 31 0.427 -11.067 -0.435 236 HG2 LYS 31 2HG LYS 31 2.907 -12.756 -0.209 237 HG3 LYS 31 1HG LYS 31 1.297 -13.405 -0.511 238 HD2 LYS 31 2HD LYS 31 1.411 -11.489 -2.404 239 HD3 LYS 31 1HD LYS 31 3.118 -11.931 -2.289 240 HE2 LYS 31 2HE LYS 31 2.620 -14.230 -2.743 241 HE3 LYS 31 1HE LYS 31 0.887 -13.925 -2.655 242 HZ1 LYS 31 3HZ LYS 31 1.563 -14.082 -4.931 243 HZ2 LYS 31 1HZ LYS 31 2.761 -12.898 -4.724 244 HZ3 LYS 31 2HZ LYS 31 1.122 -12.477 -4.608 245 H PHE 32 H PHE 32 4.563 -10.394 -0.727 246 HA PHE 32 HA PHE 32 5.713 -11.676 1.597 247 HB2 PHE 32 2HB PHE 32 7.035 -10.835 -0.989 248 HB3 PHE 32 1HB PHE 32 7.721 -11.892 0.236 249 HD1 PHE 32 2HD PHE 32 6.235 -13.982 0.832 250 HD2 PHE 32 1HD PHE 32 6.028 -11.786 -2.801 251 HE1 PHE 32 2HE PHE 32 5.235 -15.933 -0.283 252 HE2 PHE 32 1HE PHE 32 5.029 -13.730 -3.924 253 HZ PHE 32 HZ PHE 32 4.628 -15.802 -2.663 254 H GLY 33 H GLY 33 5.360 -8.509 0.393 255 HA2 GLY 33 2HA GLY 33 5.890 -6.561 1.576 256 HA3 GLY 33 1HA GLY 33 7.032 -7.483 2.549 257 H LYS 34 H LYS 34 7.041 -7.722 -0.921 258 HA LYS 34 HA LYS 34 9.593 -6.286 -0.965 259 HB2 LYS 34 2HB LYS 34 8.758 -8.618 -2.225 260 HB3 LYS 34 1HB LYS 34 8.780 -7.421 -3.505 261 HG2 LYS 34 2HG LYS 34 10.919 -8.180 -3.636 262 HG3 LYS 34 1HG LYS 34 11.139 -6.865 -2.482 263 HD2 LYS 34 2HD LYS 34 10.734 -9.766 -1.755 264 HD3 LYS 34 1HD LYS 34 12.289 -8.943 -1.809 265 HE2 LYS 34 2HE LYS 34 9.990 -8.142 -0.033 266 HE3 LYS 34 1HE LYS 34 11.338 -9.157 0.477 267 HZ1 LYS 34 3HZ LYS 34 12.842 -7.313 -0.069 268 HZ2 LYS 34 1HZ LYS 34 11.723 -6.887 1.131 269 HZ3 LYS 34 2HZ LYS 34 11.509 -6.338 -0.456 270 H SER 35 H SER 35 9.849 -4.438 -1.971 271 HA SER 35 HA SER 35 7.683 -2.720 -2.210 272 HB2 SER 35 2HB SER 35 10.064 -2.032 -1.844 273 HB3 SER 35 1HB SER 35 10.371 -2.348 -3.550 274 HG SER 35 HG SER 35 9.033 -0.250 -2.339 275 H MET 36 H MET 36 6.139 -2.647 -3.630 276 HA MET 36 HA MET 36 6.718 -3.297 -6.438 277 HB2 MET 36 2HB MET 36 5.495 -5.142 -5.338 278 HB3 MET 36 1HB MET 36 4.238 -4.018 -4.844 279 HG2 MET 36 2HG MET 36 4.812 -4.102 -7.719 280 HG3 MET 36 1HG MET 36 4.120 -5.568 -7.033 281 HE1 MET 36 3HE MET 36 1.830 -5.602 -5.660 282 HE2 MET 36 1HE MET 36 0.827 -4.169 -5.397 283 HE3 MET 36 2HE MET 36 2.413 -4.290 -4.634 284 H ASN 37 H ASN 37 6.389 -1.646 -7.668 285 HA ASN 37 HA ASN 37 5.134 0.726 -6.555 286 HB2 ASN 37 2HB ASN 37 6.203 1.768 -8.653 287 HB3 ASN 37 1HB ASN 37 7.288 1.153 -7.409 288 HD21 ASN 37 1HD2 ASN 37 8.353 -0.824 -7.749 289 HD22 ASN 37 2HD2 ASN 37 8.562 -1.488 -9.334 290 H MET 38 H MET 38 3.399 1.759 -7.392 291 HA MET 38 HA MET 38 2.194 0.735 -9.846 292 HB2 MET 38 2HB MET 38 0.990 -0.548 -8.284 293 HB3 MET 38 1HB MET 38 0.874 0.787 -7.141 294 HG2 MET 38 2HG MET 38 -0.698 1.918 -8.504 295 HG3 MET 38 1HG MET 38 -0.432 0.806 -9.842 296 HE1 MET 38 3HE MET 38 -0.373 -2.006 -8.206 297 HE2 MET 38 1HE MET 38 -1.207 -1.805 -9.748 298 HE3 MET 38 2HE MET 38 -2.060 -2.497 -8.366 299 HA PRO 39 HA PRO 39 1.555 5.119 -10.389 300 HB2 PRO 39 2HB PRO 39 0.196 4.400 -12.854 301 HB3 PRO 39 1HB PRO 39 1.747 5.213 -12.641 302 HG2 PRO 39 2HG PRO 39 1.521 2.696 -13.636 303 HG3 PRO 39 1HG PRO 39 2.934 3.253 -12.723 304 HD2 PRO 39 2HD PRO 39 0.608 1.608 -11.799 305 HD3 PRO 39 1HD PRO 39 2.339 1.415 -11.440 306 H GLU 40 H GLU 40 -0.393 6.466 -11.181 307 HA GLU 40 HA GLU 40 -2.636 5.720 -9.542 308 HB2 GLU 40 2HB GLU 40 -1.938 8.028 -9.565 309 HB3 GLU 40 1HB GLU 40 -2.125 8.117 -11.310 310 HG2 GLU 40 2HG GLU 40 -4.533 7.798 -11.070 311 HG3 GLU 40 1HG GLU 40 -4.347 7.706 -9.322 312 H GLY 41 H GLY 41 -4.703 5.220 -10.155 313 HA2 GLY 41 2HA GLY 41 -6.485 5.232 -11.759 314 HA3 GLY 41 1HA GLY 41 -5.287 5.109 -13.036 315 H LYS 42 H LYS 42 -4.189 3.068 -10.798 316 HA LYS 42 HA LYS 42 -5.137 0.768 -12.249 317 HB2 LYS 42 2HB LYS 42 -3.349 0.914 -9.820 318 HB3 LYS 42 1HB LYS 42 -3.601 -0.496 -10.833 319 HG2 LYS 42 2HG LYS 42 -2.411 2.083 -11.821 320 HG3 LYS 42 1HG LYS 42 -1.461 0.721 -11.228 321 HD2 LYS 42 2HD LYS 42 -2.523 -0.700 -12.970 322 HD3 LYS 42 1HD LYS 42 -3.311 0.746 -13.609 323 HE2 LYS 42 2HE LYS 42 -1.097 1.768 -13.960 324 HE3 LYS 42 1HE LYS 42 -0.338 0.288 -13.376 325 HZ1 LYS 42 3HZ LYS 42 -1.539 -0.878 -15.226 326 HZ2 LYS 42 1HZ LYS 42 -0.322 0.195 -15.719 327 HZ3 LYS 42 2HZ LYS 42 -1.947 0.652 -15.840 328 H VAL 43 H VAL 43 -6.726 -0.567 -11.672 329 HA VAL 43 HA VAL 43 -8.226 -0.007 -9.244 330 HB VAL 43 HB VAL 43 -8.785 -1.940 -11.499 331 HG11 VAL 43 1HG1 VAL 43 -9.841 -2.647 -9.415 332 HG12 VAL 43 2HG1 VAL 43 -11.043 -2.072 -10.572 333 HG13 VAL 43 3HG1 VAL 43 -10.552 -1.044 -9.225 334 HG21 VAL 43 3HG2 VAL 43 -9.952 0.778 -10.897 335 HG22 VAL 43 1HG2 VAL 43 -10.466 -0.299 -12.195 336 HG23 VAL 43 2HG2 VAL 43 -8.844 0.394 -12.215 337 H MET 44 H MET 44 -7.553 -0.944 -7.427 338 HA MET 44 HA MET 44 -6.537 -3.698 -7.488 339 HB2 MET 44 2HB MET 44 -6.642 -1.639 -5.284 340 HB3 MET 44 1HB MET 44 -6.047 -3.280 -5.077 341 HG2 MET 44 2HG MET 44 -4.069 -2.773 -5.918 342 HG3 MET 44 1HG MET 44 -4.779 -1.929 -7.296 343 HE1 MET 44 3HE MET 44 -3.987 -1.555 -3.412 344 HE2 MET 44 1HE MET 44 -5.652 -1.003 -3.600 345 HE3 MET 44 2HE MET 44 -4.382 0.151 -3.196 346 H GLU 45 H GLU 45 -8.244 -5.105 -7.523 347 HA GLU 45 HA GLU 45 -10.513 -4.550 -5.774 348 HB2 GLU 45 2HB GLU 45 -10.835 -5.288 -8.177 349 HB3 GLU 45 1HB GLU 45 -10.228 -6.866 -7.688 350 HG2 GLU 45 2HG GLU 45 -12.065 -7.216 -6.232 351 HG3 GLU 45 1HG GLU 45 -12.591 -5.540 -6.385 352 H THR 46 H THR 46 -10.630 -5.380 -3.831 353 HA THR 46 HA THR 46 -8.636 -7.184 -2.861 354 HB THR 46 HB THR 46 -9.659 -6.954 -0.704 355 HG1 THR 46 1HG THR 46 -11.739 -6.522 -0.431 356 HG21 THR 46 3HG2 THR 46 -9.805 -4.528 -0.455 357 HG22 THR 46 1HG2 THR 46 -9.969 -4.349 -2.202 358 HG23 THR 46 2HG2 THR 46 -8.468 -4.970 -1.516 359 H ARG 47 H ARG 47 -9.507 -9.087 -1.375 360 HA ARG 47 HA ARG 47 -10.722 -10.993 -3.089 361 HB2 ARG 47 2HB ARG 47 -10.329 -11.117 -0.094 362 HB3 ARG 47 1HB ARG 47 -10.718 -12.480 -1.128 363 HG2 ARG 47 2HG ARG 47 -8.177 -10.868 -1.118 364 HG3 ARG 47 1HG ARG 47 -8.387 -12.545 -0.611 365 HD2 ARG 47 2HD ARG 47 -8.709 -11.458 -3.404 366 HD3 ARG 47 1HD ARG 47 -7.370 -12.439 -2.814 367 HE ARG 47 HE ARG 47 -9.825 -13.798 -2.418 368 HH11 ARG 47 1HH1 ARG 47 -7.517 -12.935 -4.898 369 HH12 ARG 47 2HH1 ARG 47 -7.982 -14.216 -5.975 370 HH21 ARG 47 1HH2 ARG 47 -10.441 -15.491 -3.801 371 HH22 ARG 47 2HH2 ARG 47 -9.657 -15.688 -5.340 372 H ASP 48 H ASP 48 -12.043 -8.513 -1.277 373 HA ASP 48 HA ASP 48 -14.589 -9.779 -0.705 374 HB2 ASP 48 2HB ASP 48 -13.890 -6.834 -0.620 375 HB3 ASP 48 1HB ASP 48 -15.259 -7.618 0.153 376 H GLY 49 H GLY 49 -13.058 -8.310 -3.348 377 HA2 GLY 49 2HA GLY 49 -13.969 -7.818 -5.456 378 HA3 GLY 49 1HA GLY 49 -15.583 -7.900 -4.754 379 H THR 50 H THR 50 -13.162 -6.132 -3.098 380 HA THR 50 HA THR 50 -14.667 -3.667 -3.485 381 HB THR 50 HB THR 50 -12.313 -4.231 -1.666 382 HG1 THR 50 1HG THR 50 -14.391 -5.448 -1.353 383 HG21 THR 50 3HG2 THR 50 -14.354 -1.999 -1.620 384 HG22 THR 50 1HG2 THR 50 -12.668 -1.839 -2.112 385 HG23 THR 50 2HG2 THR 50 -13.065 -2.246 -0.442 386 H LYS 51 H LYS 51 -14.087 -2.250 -4.965 387 HA LYS 51 HA LYS 51 -11.480 -2.458 -6.215 388 HB2 LYS 51 2HB LYS 51 -14.042 -1.071 -6.875 389 HB3 LYS 51 1HB LYS 51 -12.553 -0.555 -7.626 390 HG2 LYS 51 2HG LYS 51 -12.234 -2.893 -8.416 391 HG3 LYS 51 1HG LYS 51 -13.851 -3.250 -7.797 392 HD2 LYS 51 2HD LYS 51 -14.805 -1.562 -9.251 393 HD3 LYS 51 1HD LYS 51 -13.195 -1.113 -9.818 394 HE2 LYS 51 2HE LYS 51 -14.303 -2.527 -11.436 395 HE3 LYS 51 1HE LYS 51 -12.906 -3.346 -10.746 396 HZ1 LYS 51 3HZ LYS 51 -14.883 -4.778 -10.961 397 HZ2 LYS 51 1HZ LYS 51 -15.707 -3.783 -9.863 398 HZ3 LYS 51 2HZ LYS 51 -14.332 -4.654 -9.366 399 H ILE 52 H ILE 52 -9.870 -1.414 -5.331 400 HA ILE 52 HA ILE 52 -10.326 1.329 -4.349 401 HB ILE 52 HB ILE 52 -8.114 -0.563 -3.527 402 HG12 ILE 52 2HG1 ILE 52 -10.573 0.270 -1.968 403 HG13 ILE 52 1HG1 ILE 52 -10.376 -1.288 -2.760 404 HG21 ILE 52 1HG2 ILE 52 -7.706 1.103 -1.760 405 HG22 ILE 52 2HG2 ILE 52 -8.951 2.136 -2.463 406 HG23 ILE 52 3HG2 ILE 52 -7.485 1.777 -3.374 407 HD11 ILE 52 3HD1 ILE 52 -8.701 -0.218 -0.504 408 HD12 ILE 52 1HD1 ILE 52 -8.460 -1.767 -1.314 409 HD13 ILE 52 2HD1 ILE 52 -9.939 -1.472 -0.398 410 H ILE 53 H ILE 53 -9.598 2.768 -5.767 411 HA ILE 53 HA ILE 53 -7.622 1.996 -7.749 412 HB ILE 53 HB ILE 53 -9.402 4.397 -7.420 413 HG12 ILE 53 2HG1 ILE 53 -10.011 3.743 -9.795 414 HG13 ILE 53 1HG1 ILE 53 -9.038 2.297 -9.563 415 HG21 ILE 53 1HG2 ILE 53 -8.383 5.412 -9.408 416 HG22 ILE 53 2HG2 ILE 53 -7.129 4.173 -9.391 417 HG23 ILE 53 3HG2 ILE 53 -7.255 5.321 -8.054 418 HD11 ILE 53 3HD1 ILE 53 -11.388 1.831 -9.225 419 HD12 ILE 53 1HD1 ILE 53 -11.473 3.068 -7.973 420 HD13 ILE 53 2HD1 ILE 53 -10.495 1.623 -7.719 421 H MET 54 H MET 54 -5.557 2.302 -7.515 422 HA MET 54 HA MET 54 -4.270 3.834 -5.542 423 HB2 MET 54 2HB MET 54 -3.395 2.042 -7.294 424 HB3 MET 54 1HB MET 54 -3.047 3.470 -8.244 425 HG2 MET 54 2HG MET 54 -1.048 3.121 -7.169 426 HG3 MET 54 1HG MET 54 -1.829 4.281 -6.092 427 HE1 MET 54 3HE MET 54 0.646 2.145 -5.394 428 HE2 MET 54 1HE MET 54 0.184 1.773 -3.729 429 HE3 MET 54 2HE MET 54 0.091 3.432 -4.319 430 H LYS 55 H LYS 55 -4.696 6.007 -5.348 431 HA LYS 55 HA LYS 55 -4.772 7.593 -7.826 432 HB2 LYS 55 2HB LYS 55 -5.873 8.276 -5.093 433 HB3 LYS 55 1HB LYS 55 -5.960 9.311 -6.511 434 HG2 LYS 55 2HG LYS 55 -7.290 7.560 -7.649 435 HG3 LYS 55 1HG LYS 55 -7.278 6.628 -6.152 436 HD2 LYS 55 2HD LYS 55 -9.353 7.850 -6.313 437 HD3 LYS 55 1HD LYS 55 -8.382 8.527 -5.007 438 HE2 LYS 55 2HE LYS 55 -7.668 10.344 -6.447 439 HE3 LYS 55 1HE LYS 55 -8.556 9.648 -7.800 440 HZ1 LYS 55 3HZ LYS 55 -10.615 9.961 -6.531 441 HZ2 LYS 55 1HZ LYS 55 -9.811 11.427 -6.819 442 HZ3 LYS 55 2HZ LYS 55 -9.739 10.706 -5.284 443 H GLY 56 H GLY 56 -4.029 9.946 -7.407 444 HA2 GLY 56 2HA GLY 56 -1.272 9.919 -6.920 445 HA3 GLY 56 1HA GLY 56 -2.264 11.362 -7.037 446 H ASN 57 H ASN 57 -3.689 9.827 -4.629 447 HA ASN 57 HA ASN 57 -2.104 11.160 -2.572 448 HB2 ASN 57 2HB ASN 57 -4.196 10.465 -1.168 449 HB3 ASN 57 1HB ASN 57 -4.331 11.795 -2.313 450 HD21 ASN 57 1HD2 ASN 57 -5.115 8.419 -1.720 451 HD22 ASN 57 2HD2 ASN 57 -6.376 8.321 -2.914 452 H GLU 58 H GLU 58 -2.110 8.196 -3.954 453 HA GLU 58 HA GLU 58 -1.538 6.823 -1.420 454 HB2 GLU 58 2HB GLU 58 -3.876 6.499 -2.957 455 HB3 GLU 58 1HB GLU 58 -2.907 5.057 -3.225 456 HG2 GLU 58 2HG GLU 58 -4.443 4.726 -1.402 457 HG3 GLU 58 1HG GLU 58 -2.780 4.693 -0.819 458 H ILE 59 H ILE 59 -0.449 7.472 -4.539 459 HA ILE 59 HA ILE 59 0.328 4.841 -5.301 460 HB ILE 59 HB ILE 59 1.520 5.752 -7.159 461 HG12 ILE 59 2HG1 ILE 59 2.618 7.672 -5.994 462 HG13 ILE 59 1HG1 ILE 59 1.931 8.092 -7.557 463 HG21 ILE 59 1HG2 ILE 59 -0.871 5.655 -7.365 464 HG22 ILE 59 2HG2 ILE 59 -0.241 7.047 -8.246 465 HG23 ILE 59 3HG2 ILE 59 -1.022 7.274 -6.683 466 HD11 ILE 59 3HD1 ILE 59 0.747 8.701 -4.861 467 HD12 ILE 59 1HD1 ILE 59 -0.001 9.082 -6.411 468 HD13 ILE 59 2HD1 ILE 59 1.523 9.843 -5.958 469 H PHE 60 H PHE 60 2.195 7.542 -3.918 470 HA PHE 60 HA PHE 60 4.544 5.793 -4.018 471 HB2 PHE 60 2HB PHE 60 4.649 7.948 -5.242 472 HB3 PHE 60 1HB PHE 60 4.457 8.798 -3.713 473 HD1 PHE 60 2HD PHE 60 6.602 6.249 -5.353 474 HD2 PHE 60 1HD PHE 60 6.360 9.437 -2.548 475 HE1 PHE 60 2HE PHE 60 9.031 6.115 -5.003 476 HE2 PHE 60 1HE PHE 60 8.789 9.306 -2.187 477 HZ PHE 60 HZ PHE 60 10.126 7.638 -3.410 478 H ARG 61 H ARG 61 2.272 6.627 -1.840 479 HA ARG 61 HA ARG 61 3.843 7.426 0.393 480 HB2 ARG 61 2HB ARG 61 1.046 6.336 0.163 481 HB3 ARG 61 1HB ARG 61 1.769 6.770 1.706 482 HG2 ARG 61 2HG ARG 61 1.300 8.618 -0.625 483 HG3 ARG 61 1HG ARG 61 0.379 8.567 0.881 484 HD2 ARG 61 2HD ARG 61 2.636 8.992 2.034 485 HD3 ARG 61 1HD ARG 61 3.213 9.456 0.433 486 HE ARG 61 HE ARG 61 0.808 10.819 1.087 487 HH11 ARG 61 1HH1 ARG 61 4.271 10.836 1.662 488 HH12 ARG 61 2HH1 ARG 61 4.292 12.501 2.165 489 HH21 ARG 61 1HH2 ARG 61 0.844 12.984 1.751 490 HH22 ARG 61 2HH2 ARG 61 2.349 13.724 2.215 491 H LEU 62 H LEU 62 5.531 5.998 0.570 492 HA LEU 62 HA LEU 62 5.240 3.813 2.283 493 HB2 LEU 62 2HB LEU 62 4.255 2.717 0.300 494 HB3 LEU 62 1HB LEU 62 5.723 3.039 -0.599 495 HG LEU 62 HG LEU 62 6.975 1.582 0.964 496 HD11 LEU 62 1HD1 LEU 62 5.574 1.837 2.924 497 HD12 LEU 62 2HD1 LEU 62 5.721 0.133 2.488 498 HD13 LEU 62 3HD1 LEU 62 4.245 1.019 2.101 499 HD21 LEU 62 3HD2 LEU 62 4.583 0.306 -0.352 500 HD22 LEU 62 1HD2 LEU 62 6.042 -0.539 0.163 501 HD23 LEU 62 2HD2 LEU 62 6.130 0.668 -1.122 502 H ASP 63 H ASP 63 7.141 4.920 -0.477 503 HA ASP 63 HA ASP 63 9.598 3.836 0.306 504 HB2 ASP 63 2HB ASP 63 9.251 4.525 -1.969 505 HB3 ASP 63 1HB ASP 63 8.975 6.191 -1.474 506 H GLU 64 H GLU 64 8.112 6.903 1.090 507 HA GLU 64 HA GLU 64 10.369 8.278 1.996 508 HB2 GLU 64 2HB GLU 64 7.533 8.536 3.003 509 HB3 GLU 64 1HB GLU 64 8.808 9.739 3.154 510 HG2 GLU 64 2HG GLU 64 8.850 10.090 0.790 511 HG3 GLU 64 1HG GLU 64 7.741 8.746 0.525 512 H ALA 65 H ALA 65 8.328 5.918 3.582 513 HA ALA 65 HA ALA 65 9.448 6.352 6.202 514 HB1 ALA 65 1HB ALA 65 8.121 4.430 6.865 515 HB2 ALA 65 2HB ALA 65 7.781 4.059 5.174 516 HB3 ALA 65 3HB ALA 65 7.146 5.538 5.898 517 H LEU 66 H LEU 66 10.160 4.441 3.427 518 HA LEU 66 HA LEU 66 11.644 2.395 4.766 519 HB2 LEU 66 2HB LEU 66 11.667 3.181 1.854 520 HB3 LEU 66 1HB LEU 66 12.201 1.659 2.533 521 HG LEU 66 HG LEU 66 9.348 2.632 2.599 522 HD11 LEU 66 1HD1 LEU 66 8.927 1.014 0.833 523 HD12 LEU 66 2HD1 LEU 66 10.642 0.606 0.779 524 HD13 LEU 66 3HD1 LEU 66 10.104 2.220 0.305 525 HD21 LEU 66 3HD2 LEU 66 9.887 1.092 4.402 526 HD22 LEU 66 1HD2 LEU 66 10.579 -0.045 3.245 527 HD23 LEU 66 2HD2 LEU 66 8.853 0.309 3.208 528 H ARG 67 H ARG 67 12.279 5.589 4.052 529 HA ARG 67 HA ARG 67 15.056 5.324 3.322 530 HB2 ARG 67 2HB ARG 67 13.477 7.782 4.101 531 HB3 ARG 67 1HB ARG 67 15.071 7.772 3.356 532 HG2 ARG 67 2HG ARG 67 14.157 6.783 1.345 533 HG3 ARG 67 1HG ARG 67 12.561 6.686 2.094 534 HD2 ARG 67 2HD ARG 67 12.650 9.183 2.359 535 HD3 ARG 67 1HD ARG 67 14.108 9.165 1.365 536 HE ARG 67 HE ARG 67 12.340 7.826 -0.170 537 HH11 ARG 67 1HH1 ARG 67 12.154 10.913 1.491 538 HH12 ARG 67 2HH1 ARG 67 11.007 11.587 0.374 539 HH21 ARG 67 1HH2 ARG 67 10.894 8.710 -1.643 540 HH22 ARG 67 2HH2 ARG 67 10.334 10.345 -1.454 541 H LYS 68 H LYS 68 13.404 5.071 6.177 542 HA LYS 68 HA LYS 68 15.814 5.246 7.741 543 HB2 LYS 68 2HB LYS 68 14.509 7.596 7.544 544 HB3 LYS 68 1HB LYS 68 13.592 6.882 8.864 545 HG2 LYS 68 2HG LYS 68 15.340 8.247 9.769 546 HG3 LYS 68 1HG LYS 68 15.707 6.554 10.106 547 HD2 LYS 68 2HD LYS 68 17.294 6.501 8.274 548 HD3 LYS 68 1HD LYS 68 16.871 8.154 7.826 549 HE2 LYS 68 2HE LYS 68 18.943 8.163 9.064 550 HE3 LYS 68 1HE LYS 68 17.677 8.924 10.027 551 HZ1 LYS 68 3HZ LYS 68 18.756 6.177 10.350 552 HZ2 LYS 68 1HZ LYS 68 17.416 6.778 11.201 553 HZ3 LYS 68 2HZ LYS 68 18.937 7.481 11.421 554 H GLY 69 H GLY 69 14.058 5.492 10.226 555 HA2 GLY 69 2HA GLY 69 11.977 4.115 10.734 556 HA3 GLY 69 1HA GLY 69 12.883 2.794 10.020 557 H HIS 70 H HIS 70 13.328 5.290 12.550 558 HA HIS 70 HA HIS 70 13.559 3.210 14.520 559 HB2 HIS 70 2HB HIS 70 15.879 3.238 13.653 560 HB3 HIS 70 1HB HIS 70 15.997 4.946 14.079 561 HD1 HIS 70 1HD HIS 70 15.061 1.731 15.906 562 HD2 HIS 70 2HD HIS 70 17.157 5.276 16.492 563 HE1 HIS 70 1HE HIS 70 15.939 1.624 18.262 564 HE2 HIS 70 2HE HIS 70 17.013 3.862 18.658 565 H SER 71 H SER 71 14.973 6.474 14.556 566 HA SER 71 HA SER 71 13.444 7.001 16.969 567 HB2 SER 71 2HB SER 71 15.551 8.708 15.613 568 HB3 SER 71 1HB SER 71 14.898 8.940 17.236 569 HG SER 71 HG SER 71 15.947 7.170 17.943 570 H GLU 72 H GLU 72 14.319 9.266 14.401 571 HA GLU 72 HA GLU 72 13.181 10.828 13.247 572 HB2 GLU 72 2HB GLU 72 11.177 8.592 13.330 573 HB3 GLU 72 1HB GLU 72 10.824 10.102 12.501 574 HG2 GLU 72 2HG GLU 72 11.642 8.421 10.955 575 HG3 GLU 72 1HG GLU 72 12.754 9.782 11.057 576 H GLY 73 H GLY 73 13.243 12.319 14.972 577 HA2 GLY 73 2HA GLY 73 10.664 12.695 16.358 578 HA3 GLY 73 1HA GLY 73 12.199 13.388 16.867 579 H GLY 74 H GLY 74 11.973 13.556 13.571 580 HA2 GLY 74 2HA GLY 74 10.963 15.169 12.145 581 HA3 GLY 74 1HA GLY 74 10.621 16.159 13.556 Start of MODEL 2 1 H1 VAL 1 1HT VAL 1 7.917 -1.591 4.944 2 H2 VAL 1 2HT VAL 1 9.296 -0.875 5.623 3 H3 VAL 1 3HT VAL 1 8.602 -0.216 4.223 4 HA VAL 1 HA VAL 1 8.097 1.067 6.234 5 HB VAL 1 HB VAL 1 6.544 1.027 4.270 6 HG11 VAL 1 2HG1 VAL 1 4.475 -0.248 4.391 7 HG12 VAL 1 3HG1 VAL 1 5.022 -1.014 5.882 8 HG13 VAL 1 1HG1 VAL 1 5.878 -1.315 4.372 9 HG21 VAL 1 1HG2 VAL 1 4.624 1.991 5.440 10 HG22 VAL 1 2HG2 VAL 1 6.148 2.554 6.127 11 HG23 VAL 1 3HG2 VAL 1 5.209 1.315 6.960 12 H ASP 2 H ASP 2 7.090 1.191 8.228 13 HA ASP 2 HA ASP 2 7.386 -1.169 9.796 14 HB2 ASP 2 2HB ASP 2 6.843 0.233 11.677 15 HB3 ASP 2 1HB ASP 2 7.925 1.119 10.617 16 H MET 3 H MET 3 5.736 -1.977 11.274 17 HA MET 3 HA MET 3 3.130 -2.107 9.921 18 HB2 MET 3 2HB MET 3 4.471 -3.996 11.860 19 HB3 MET 3 1HB MET 3 2.812 -4.179 11.312 20 HG2 MET 3 2HG MET 3 5.154 -4.101 9.432 21 HG3 MET 3 1HG MET 3 4.550 -5.588 10.152 22 HE1 MET 3 3HE MET 3 2.528 -3.102 6.850 23 HE2 MET 3 1HE MET 3 4.221 -3.016 7.342 24 HE3 MET 3 2HE MET 3 2.962 -2.352 8.384 25 H SER 4 H SER 4 4.318 -0.148 11.995 26 HA SER 4 HA SER 4 2.462 -0.452 14.200 27 HB2 SER 4 2HB SER 4 4.723 0.374 14.658 28 HB3 SER 4 1HB SER 4 4.472 1.723 13.552 29 HG SER 4 HG SER 4 4.082 2.503 15.570 30 H ASN 5 H ASN 5 2.936 1.527 11.333 31 HA ASN 5 HA ASN 5 0.731 3.269 11.912 32 HB2 ASN 5 2HB ASN 5 2.454 2.852 9.484 33 HB3 ASN 5 1HB ASN 5 1.041 3.900 9.430 34 HD21 ASN 5 1HD2 ASN 5 4.262 3.488 10.607 35 HD22 ASN 5 2HD2 ASN 5 4.456 5.097 11.217 36 H VAL 6 H VAL 6 1.147 0.310 10.081 37 HA VAL 6 HA VAL 6 -1.208 0.522 8.533 38 HB VAL 6 HB VAL 6 0.660 -1.010 7.981 39 HG11 VAL 6 1HG1 VAL 6 -0.396 -2.682 10.252 40 HG12 VAL 6 2HG1 VAL 6 1.145 -1.826 10.219 41 HG13 VAL 6 3HG1 VAL 6 0.854 -3.158 9.100 42 HG21 VAL 6 3HG2 VAL 6 -1.531 -1.330 6.959 43 HG22 VAL 6 1HG2 VAL 6 -2.009 -2.378 8.294 44 HG23 VAL 6 2HG2 VAL 6 -0.710 -2.870 7.205 45 H VAL 7 H VAL 7 -3.262 -0.168 8.849 46 HA VAL 7 HA VAL 7 -3.886 -1.314 11.491 47 HB VAL 7 HB VAL 7 -4.750 0.963 11.355 48 HG11 VAL 7 1HG1 VAL 7 -6.274 0.025 8.931 49 HG12 VAL 7 2HG1 VAL 7 -4.961 1.202 8.955 50 HG13 VAL 7 3HG1 VAL 7 -6.495 1.574 9.743 51 HG21 VAL 7 3HG2 VAL 7 -6.037 -0.651 12.631 52 HG22 VAL 7 1HG2 VAL 7 -6.935 -1.112 11.184 53 HG23 VAL 7 2HG2 VAL 7 -7.114 0.509 11.855 54 H LYS 8 H LYS 8 -4.539 -1.316 8.048 55 HA LYS 8 HA LYS 8 -5.748 -3.966 8.338 56 HB2 LYS 8 2HB LYS 8 -6.903 -1.648 6.802 57 HB3 LYS 8 1HB LYS 8 -7.306 -3.316 6.418 58 HG2 LYS 8 2HG LYS 8 -8.025 -3.571 8.817 59 HG3 LYS 8 1HG LYS 8 -7.876 -1.815 8.954 60 HD2 LYS 8 2HD LYS 8 -9.546 -3.210 6.876 61 HD3 LYS 8 1HD LYS 8 -10.183 -2.642 8.422 62 HE2 LYS 8 2HE LYS 8 -9.538 -0.353 7.848 63 HE3 LYS 8 1HE LYS 8 -8.866 -0.918 6.318 64 HZ1 LYS 8 3HZ LYS 8 -11.117 0.040 6.113 65 HZ2 LYS 8 1HZ LYS 8 -11.718 -1.198 7.102 66 HZ3 LYS 8 2HZ LYS 8 -11.040 -1.570 5.595 67 H THR 9 H THR 9 -5.580 -5.287 6.521 68 HA THR 9 HA THR 9 -3.807 -4.383 4.378 69 HB THR 9 HB THR 9 -3.278 -6.888 5.997 70 HG1 THR 9 1HG THR 9 -2.057 -5.663 7.195 71 HG21 THR 9 3HG2 THR 9 -1.711 -5.626 3.747 72 HG22 THR 9 1HG2 THR 9 -2.663 -7.106 3.639 73 HG23 THR 9 2HG2 THR 9 -1.232 -7.050 4.668 74 H TYR 10 H TYR 10 -5.093 -4.709 2.679 75 HA TYR 10 HA TYR 10 -6.897 -6.994 2.603 76 HB2 TYR 10 2HB TYR 10 -6.497 -4.990 0.385 77 HB3 TYR 10 1HB TYR 10 -7.902 -6.000 0.690 78 HD1 TYR 10 2HD TYR 10 -8.660 -5.530 3.360 79 HD2 TYR 10 1HD TYR 10 -7.031 -2.745 0.592 80 HE1 TYR 10 2HE TYR 10 -9.733 -3.712 4.597 81 HE2 TYR 10 1HE TYR 10 -8.091 -0.896 1.829 82 HH TYR 10 HH TYR 10 -9.468 -1.321 4.932 83 H ASP 11 H ASP 11 -6.421 -8.845 1.555 84 HA ASP 11 HA ASP 11 -3.959 -9.019 0.026 85 HB2 ASP 11 2HB ASP 11 -5.001 -10.883 1.544 86 HB3 ASP 11 1HB ASP 11 -6.018 -11.198 0.147 87 H LEU 12 H LEU 12 -3.860 -8.705 -2.113 88 HA LEU 12 HA LEU 12 -6.361 -8.021 -3.416 89 HB2 LEU 12 2HB LEU 12 -3.491 -7.553 -4.206 90 HB3 LEU 12 1HB LEU 12 -4.871 -7.033 -5.145 91 HG LEU 12 HG LEU 12 -4.126 -6.084 -2.386 92 HD11 LEU 12 1HD1 LEU 12 -4.141 -4.705 -5.057 93 HD12 LEU 12 2HD1 LEU 12 -2.725 -5.128 -4.095 94 HD13 LEU 12 3HD1 LEU 12 -3.861 -3.910 -3.509 95 HD21 LEU 12 3HD2 LEU 12 -6.550 -6.228 -2.613 96 HD22 LEU 12 1HD2 LEU 12 -6.469 -5.306 -4.115 97 HD23 LEU 12 2HD2 LEU 12 -6.017 -4.545 -2.589 98 H GLN 13 H GLN 13 -7.245 -9.091 -5.032 99 HA GLN 13 HA GLN 13 -6.448 -11.755 -5.589 100 HB2 GLN 13 2HB GLN 13 -8.522 -9.907 -6.716 101 HB3 GLN 13 1HB GLN 13 -8.234 -11.481 -7.441 102 HG2 GLN 13 2HG GLN 13 -8.757 -12.566 -5.325 103 HG3 GLN 13 1HG GLN 13 -8.991 -10.993 -4.567 104 HE21 GLN 13 1HE2 GLN 13 -10.296 -9.865 -6.902 105 HE22 GLN 13 2HE2 GLN 13 -11.881 -10.541 -6.952 106 H ASP 14 H ASP 14 -5.528 -8.775 -6.870 107 HA ASP 14 HA ASP 14 -4.755 -9.551 -9.479 108 HB2 ASP 14 2HB ASP 14 -4.562 -7.321 -9.533 109 HB3 ASP 14 1HB ASP 14 -4.578 -7.233 -7.775 110 H GLY 15 H GLY 15 -3.467 -10.166 -6.372 111 HA2 GLY 15 2HA GLY 15 -1.861 -12.051 -6.340 112 HA3 GLY 15 1HA GLY 15 -0.997 -11.203 -7.614 113 H SER 16 H SER 16 -1.783 -8.665 -6.060 114 HA SER 16 HA SER 16 0.595 -8.703 -4.371 115 HB2 SER 16 2HB SER 16 -1.074 -6.301 -5.106 116 HB3 SER 16 1HB SER 16 0.596 -6.342 -4.535 117 HG SER 16 HG SER 16 -0.452 -7.068 -7.058 118 H LYS 17 H LYS 17 -0.024 -6.584 -2.711 119 HA LYS 17 HA LYS 17 -2.478 -7.158 -1.293 120 HB2 LYS 17 2HB LYS 17 -0.882 -8.823 -0.381 121 HB3 LYS 17 1HB LYS 17 0.222 -7.521 0.037 122 HG2 LYS 17 2HG LYS 17 -0.786 -7.264 1.979 123 HG3 LYS 17 1HG LYS 17 -2.311 -6.924 1.158 124 HD2 LYS 17 2HD LYS 17 -2.697 -8.758 2.622 125 HD3 LYS 17 1HD LYS 17 -2.653 -9.407 0.983 126 HE2 LYS 17 2HE LYS 17 -0.342 -10.114 1.322 127 HE3 LYS 17 1HE LYS 17 -0.378 -9.455 2.957 128 HZ1 LYS 17 3HZ LYS 17 -0.751 -11.852 2.934 129 HZ2 LYS 17 1HZ LYS 17 -2.115 -11.647 1.944 130 HZ3 LYS 17 2HZ LYS 17 -2.111 -11.030 3.525 131 H VAL 18 H VAL 18 -3.040 -5.408 0.127 132 HA VAL 18 HA VAL 18 -1.271 -3.072 -0.199 133 HB VAL 18 HB VAL 18 -3.345 -2.780 -1.449 134 HG11 VAL 18 1HG1 VAL 18 -5.495 -2.559 -0.271 135 HG12 VAL 18 2HG1 VAL 18 -4.718 -3.159 1.196 136 HG13 VAL 18 3HG1 VAL 18 -4.841 -4.197 -0.227 137 HG21 VAL 18 3HG2 VAL 18 -4.091 -0.650 -0.450 138 HG22 VAL 18 1HG2 VAL 18 -2.333 -0.799 -0.545 139 HG23 VAL 18 2HG2 VAL 18 -3.159 -1.038 0.997 140 H HIS 19 H HIS 19 -0.598 -2.033 1.568 141 HA HIS 19 HA HIS 19 -1.638 -2.960 4.163 142 HB2 HIS 19 2HB HIS 19 0.859 -1.310 3.819 143 HB3 HIS 19 1HB HIS 19 0.410 -2.353 5.161 144 HD1 HIS 19 1HD HIS 19 -0.108 -4.990 3.653 145 HD2 HIS 19 2HD HIS 19 3.110 -2.455 2.936 146 HE1 HIS 19 1HE HIS 19 1.638 -6.431 2.547 147 HE2 HIS 19 2HE HIS 19 3.676 -4.934 2.393 148 H VAL 20 H VAL 20 -3.289 -1.667 4.722 149 HA VAL 20 HA VAL 20 -3.213 1.163 3.987 150 HB VAL 20 HB VAL 20 -5.474 -0.092 5.506 151 HG11 VAL 20 1HG1 VAL 20 -5.374 1.954 3.298 152 HG12 VAL 20 2HG1 VAL 20 -5.474 2.315 5.025 153 HG13 VAL 20 3HG1 VAL 20 -6.802 1.479 4.217 154 HG21 VAL 20 3HG2 VAL 20 -4.980 -0.442 2.552 155 HG22 VAL 20 1HG2 VAL 20 -6.479 -0.843 3.392 156 HG23 VAL 20 2HG2 VAL 20 -4.994 -1.716 3.770 157 H PHE 21 H PHE 21 -2.484 2.609 5.325 158 HA PHE 21 HA PHE 21 -1.924 1.799 8.072 159 HB2 PHE 21 2HB PHE 21 -1.024 4.321 6.683 160 HB3 PHE 21 1HB PHE 21 -0.330 3.578 8.114 161 HD1 PHE 21 2HD PHE 21 0.683 1.225 7.799 162 HD2 PHE 21 1HD PHE 21 -0.062 3.926 4.593 163 HE1 PHE 21 2HE PHE 21 2.279 -0.006 6.398 164 HE2 PHE 21 1HE PHE 21 1.535 2.695 3.188 165 HZ PHE 21 HZ PHE 21 2.775 0.862 4.051 166 H LYS 22 H LYS 22 -2.340 3.221 9.839 167 HA LYS 22 HA LYS 22 -4.800 4.681 9.773 168 HB2 LYS 22 2HB LYS 22 -2.595 4.687 11.855 169 HB3 LYS 22 1HB LYS 22 -4.235 5.277 12.092 170 HG2 LYS 22 2HG LYS 22 -5.134 3.077 11.934 171 HG3 LYS 22 1HG LYS 22 -3.586 2.421 11.403 172 HD2 LYS 22 2HD LYS 22 -4.121 3.649 14.110 173 HD3 LYS 22 1HD LYS 22 -4.067 1.917 13.772 174 HE2 LYS 22 2HE LYS 22 -1.728 2.204 12.980 175 HE3 LYS 22 1HE LYS 22 -1.804 3.893 13.476 176 HZ1 LYS 22 3HZ LYS 22 -1.993 1.500 15.227 177 HZ2 LYS 22 1HZ LYS 22 -2.291 3.086 15.760 178 HZ3 LYS 22 2HZ LYS 22 -0.756 2.656 15.195 179 H ASP 23 H ASP 23 -1.823 5.300 8.617 180 HA ASP 23 HA ASP 23 -1.397 8.033 9.257 181 HB2 ASP 23 2HB ASP 23 0.413 6.538 8.548 182 HB3 ASP 23 1HB ASP 23 -0.373 6.310 6.988 183 H GLY 24 H GLY 24 -3.300 6.334 6.917 184 HA2 GLY 24 2HA GLY 24 -5.183 7.606 5.989 185 HA3 GLY 24 1HA GLY 24 -4.046 8.917 5.699 186 H LYS 25 H LYS 25 -2.149 6.511 4.937 187 HA LYS 25 HA LYS 25 -3.081 6.443 2.155 188 HB2 LYS 25 2HB LYS 25 -0.749 6.325 1.464 189 HB3 LYS 25 1HB LYS 25 -1.114 7.810 2.339 190 HG2 LYS 25 2HG LYS 25 0.023 7.100 4.251 191 HG3 LYS 25 1HG LYS 25 0.066 5.420 3.702 192 HD2 LYS 25 2HD LYS 25 1.567 5.992 1.923 193 HD3 LYS 25 1HD LYS 25 1.447 7.703 2.327 194 HE2 LYS 25 2HE LYS 25 2.471 5.620 4.232 195 HE3 LYS 25 1HE LYS 25 3.520 6.542 3.154 196 HZ1 LYS 25 3HZ LYS 25 3.391 7.524 5.376 197 HZ2 LYS 25 1HZ LYS 25 1.713 7.716 5.206 198 HZ3 LYS 25 2HZ LYS 25 2.769 8.576 4.202 199 H MET 26 H MET 26 -1.650 4.637 0.965 200 HA MET 26 HA MET 26 -1.830 2.198 2.594 201 HB2 MET 26 2HB MET 26 -2.912 2.442 -0.218 202 HB3 MET 26 1HB MET 26 -2.951 1.010 0.802 203 HG2 MET 26 2HG MET 26 -4.319 2.358 2.430 204 HG3 MET 26 1HG MET 26 -4.458 3.576 1.163 205 HE1 MET 26 3HE MET 26 -5.688 3.165 -1.143 206 HE2 MET 26 1HE MET 26 -6.422 1.632 -1.607 207 HE3 MET 26 2HE MET 26 -4.668 1.763 -1.466 208 H GLY 27 H GLY 27 -0.208 0.826 2.336 209 HA2 GLY 27 2HA GLY 27 1.939 1.631 0.525 210 HA3 GLY 27 1HA GLY 27 2.072 0.496 1.862 211 H MET 28 H MET 28 2.641 0.486 -1.165 212 HA MET 28 HA MET 28 1.023 -1.817 -1.942 213 HB2 MET 28 2HB MET 28 1.991 0.441 -3.337 214 HB3 MET 28 1HB MET 28 2.822 -0.961 -4.002 215 HG2 MET 28 2HG MET 28 0.751 -0.419 -5.203 216 HG3 MET 28 1HG MET 28 0.718 -2.030 -4.487 217 HE1 MET 28 3HE MET 28 -0.594 -2.655 -2.311 218 HE2 MET 28 1HE MET 28 -1.596 -2.783 -3.759 219 HE3 MET 28 2HE MET 28 -2.255 -2.062 -2.286 220 H GLU 29 H GLU 29 1.853 -3.663 -1.276 221 HA GLU 29 HA GLU 29 4.261 -4.517 -2.586 222 HB2 GLU 29 2HB GLU 29 5.191 -3.720 -0.424 223 HB3 GLU 29 1HB GLU 29 4.103 -4.790 0.435 224 HG2 GLU 29 2HG GLU 29 6.389 -5.657 0.237 225 HG3 GLU 29 1HG GLU 29 5.192 -6.696 -0.541 226 H ASN 30 H ASN 30 3.952 -6.542 -3.289 227 HA ASN 30 HA ASN 30 1.501 -7.842 -2.682 228 HB2 ASN 30 2HB ASN 30 2.232 -9.665 -4.078 229 HB3 ASN 30 1HB ASN 30 2.614 -8.149 -4.859 230 HD21 ASN 30 1HD2 ASN 30 5.069 -7.682 -3.288 231 HD22 ASN 30 2HD2 ASN 30 6.200 -8.809 -3.928 232 H LYS 31 H LYS 31 1.342 -10.032 -1.763 233 HA LYS 31 HA LYS 31 2.250 -9.902 0.884 234 HB2 LYS 31 2HB LYS 31 1.392 -12.242 1.123 235 HB3 LYS 31 1HB LYS 31 0.235 -11.084 0.498 236 HG2 LYS 31 2HG LYS 31 1.801 -12.841 -1.349 237 HG3 LYS 31 1HG LYS 31 0.350 -13.425 -0.545 238 HD2 LYS 31 2HD LYS 31 -0.618 -11.135 -1.485 239 HD3 LYS 31 1HD LYS 31 0.669 -11.389 -2.668 240 HE2 LYS 31 2HE LYS 31 -1.348 -12.356 -3.531 241 HE3 LYS 31 1HE LYS 31 -0.237 -13.656 -3.102 242 HZ1 LYS 31 3HZ LYS 31 -2.535 -12.729 -1.448 243 HZ2 LYS 31 1HZ LYS 31 -1.481 -14.005 -1.058 244 HZ3 LYS 31 2HZ LYS 31 -2.509 -14.127 -2.403 245 H PHE 32 H PHE 32 3.866 -10.986 -1.842 246 HA PHE 32 HA PHE 32 5.617 -12.813 -0.448 247 HB2 PHE 32 2HB PHE 32 5.826 -11.778 -3.280 248 HB3 PHE 32 1HB PHE 32 6.600 -13.216 -2.613 249 HD1 PHE 32 2HD PHE 32 4.969 -14.987 -1.597 250 HD2 PHE 32 1HD PHE 32 3.831 -12.007 -4.412 251 HE1 PHE 32 2HE PHE 32 3.051 -16.364 -2.267 252 HE2 PHE 32 1HE PHE 32 1.907 -13.385 -5.093 253 HZ PHE 32 HZ PHE 32 1.396 -15.438 -3.892 254 H GLY 33 H GLY 33 5.457 -9.436 -0.842 255 HA2 GLY 33 2HA GLY 33 6.902 -7.774 -0.228 256 HA3 GLY 33 1HA GLY 33 7.861 -9.021 0.565 257 H LYS 34 H LYS 34 7.182 -9.220 -2.815 258 HA LYS 34 HA LYS 34 9.991 -8.671 -3.442 259 HB2 LYS 34 2HB LYS 34 8.707 -10.705 -4.347 260 HB3 LYS 34 1HB LYS 34 7.882 -9.547 -5.365 261 HG2 LYS 34 2HG LYS 34 9.804 -10.765 -6.426 262 HG3 LYS 34 1HG LYS 34 9.815 -9.007 -6.560 263 HD2 LYS 34 2HD LYS 34 12.038 -9.888 -6.030 264 HD3 LYS 34 1HD LYS 34 11.423 -8.861 -4.734 265 HE2 LYS 34 2HE LYS 34 10.711 -10.913 -3.529 266 HE3 LYS 34 1HE LYS 34 11.479 -11.874 -4.793 267 HZ1 LYS 34 3HZ LYS 34 12.807 -11.413 -2.694 268 HZ2 LYS 34 1HZ LYS 34 12.992 -9.830 -3.274 269 HZ3 LYS 34 2HZ LYS 34 13.591 -11.143 -4.168 270 H SER 35 H SER 35 10.558 -6.868 -4.397 271 HA SER 35 HA SER 35 9.171 -4.653 -3.654 272 HB2 SER 35 2HB SER 35 11.607 -4.748 -4.274 273 HB3 SER 35 1HB SER 35 11.115 -4.639 -5.965 274 HG SER 35 HG SER 35 9.965 -2.731 -4.369 275 H MET 36 H MET 36 7.075 -4.556 -4.220 276 HA MET 36 HA MET 36 6.484 -4.198 -7.074 277 HB2 MET 36 2HB MET 36 5.241 -5.993 -5.854 278 HB3 MET 36 1HB MET 36 4.561 -4.761 -4.802 279 HG2 MET 36 2HG MET 36 4.211 -4.469 -7.732 280 HG3 MET 36 1HG MET 36 3.251 -5.680 -6.889 281 HE1 MET 36 3HE MET 36 2.761 -4.329 -4.058 282 HE2 MET 36 1HE MET 36 1.552 -5.176 -5.026 283 HE3 MET 36 2HE MET 36 1.200 -3.573 -4.380 284 H ASN 37 H ASN 37 5.346 -2.416 -7.755 285 HA ASN 37 HA ASN 37 5.089 -0.208 -5.854 286 HB2 ASN 37 2HB ASN 37 6.125 1.268 -7.678 287 HB3 ASN 37 1HB ASN 37 7.224 0.245 -6.759 288 HD21 ASN 37 1HD2 ASN 37 8.130 -1.550 -7.726 289 HD22 ASN 37 2HD2 ASN 37 8.180 -1.752 -9.441 290 H MET 38 H MET 38 3.672 1.476 -6.592 291 HA MET 38 HA MET 38 2.031 0.808 -8.899 292 HB2 MET 38 2HB MET 38 0.901 -0.369 -7.155 293 HB3 MET 38 1HB MET 38 0.978 1.019 -6.080 294 HG2 MET 38 2HG MET 38 -0.659 2.170 -7.267 295 HG3 MET 38 1HG MET 38 -0.475 1.150 -8.690 296 HE1 MET 38 3HE MET 38 -1.940 -2.254 -7.010 297 HE2 MET 38 1HE MET 38 -0.287 -1.660 -6.844 298 HE3 MET 38 2HE MET 38 -1.076 -1.647 -8.423 299 HA PRO 39 HA PRO 39 2.134 5.246 -9.158 300 HB2 PRO 39 2HB PRO 39 0.546 4.944 -11.565 301 HB3 PRO 39 1HB PRO 39 2.239 5.415 -11.417 302 HG2 PRO 39 2HG PRO 39 1.434 3.048 -12.507 303 HG3 PRO 39 1HG PRO 39 2.997 3.274 -11.702 304 HD2 PRO 39 2HD PRO 39 0.480 2.051 -10.647 305 HD3 PRO 39 1HD PRO 39 2.164 1.520 -10.445 306 H GLU 40 H GLU 40 0.322 6.887 -9.871 307 HA GLU 40 HA GLU 40 -1.844 6.454 -8.019 308 HB2 GLU 40 2HB GLU 40 -0.652 8.622 -8.221 309 HB3 GLU 40 1HB GLU 40 -1.282 8.791 -9.852 310 HG2 GLU 40 2HG GLU 40 -3.585 8.697 -8.857 311 HG3 GLU 40 1HG GLU 40 -2.816 8.814 -7.273 312 H GLY 41 H GLY 41 -3.904 5.965 -8.486 313 HA2 GLY 41 2HA GLY 41 -5.869 5.909 -9.758 314 HA3 GLY 41 1HA GLY 41 -4.946 6.377 -11.174 315 H LYS 42 H LYS 42 -4.436 3.661 -8.964 316 HA LYS 42 HA LYS 42 -4.805 1.837 -11.239 317 HB2 LYS 42 2HB LYS 42 -3.167 1.664 -8.732 318 HB3 LYS 42 1HB LYS 42 -3.621 0.208 -9.605 319 HG2 LYS 42 2HG LYS 42 -2.214 2.504 -10.927 320 HG3 LYS 42 1HG LYS 42 -1.354 1.182 -10.132 321 HD2 LYS 42 2HD LYS 42 -2.447 -0.428 -11.596 322 HD3 LYS 42 1HD LYS 42 -3.347 0.877 -12.378 323 HE2 LYS 42 2HE LYS 42 -1.241 1.866 -13.131 324 HE3 LYS 42 1HE LYS 42 -0.348 0.562 -12.349 325 HZ1 LYS 42 3HZ LYS 42 -2.288 0.246 -14.578 326 HZ2 LYS 42 1HZ LYS 42 -1.452 -1.017 -13.817 327 HZ3 LYS 42 2HZ LYS 42 -0.600 0.145 -14.704 328 H VAL 43 H VAL 43 -6.173 0.092 -11.095 329 HA VAL 43 HA VAL 43 -8.184 0.192 -8.987 330 HB VAL 43 HB VAL 43 -8.033 -1.623 -11.401 331 HG11 VAL 43 1HG1 VAL 43 -10.301 -1.012 -9.509 332 HG12 VAL 43 2HG1 VAL 43 -9.428 -2.540 -9.645 333 HG13 VAL 43 3HG1 VAL 43 -10.430 -1.974 -10.980 334 HG21 VAL 43 3HG2 VAL 43 -8.178 0.702 -12.089 335 HG22 VAL 43 1HG2 VAL 43 -9.549 0.956 -11.010 336 HG23 VAL 43 2HG2 VAL 43 -9.705 -0.127 -12.394 337 H MET 44 H MET 44 -7.906 -0.928 -7.189 338 HA MET 44 HA MET 44 -6.357 -3.443 -7.262 339 HB2 MET 44 2HB MET 44 -6.909 -1.580 -4.938 340 HB3 MET 44 1HB MET 44 -5.985 -3.068 -4.848 341 HG2 MET 44 2HG MET 44 -4.209 -2.162 -6.094 342 HG3 MET 44 1HG MET 44 -5.175 -0.779 -6.611 343 HE1 MET 44 3HE MET 44 -5.467 1.359 -3.401 344 HE2 MET 44 1HE MET 44 -6.623 0.267 -4.165 345 HE3 MET 44 2HE MET 44 -5.637 1.343 -5.157 346 H GLU 45 H GLU 45 -7.725 -5.196 -7.230 347 HA GLU 45 HA GLU 45 -10.252 -4.888 -5.780 348 HB2 GLU 45 2HB GLU 45 -10.166 -5.790 -8.176 349 HB3 GLU 45 1HB GLU 45 -9.501 -7.259 -7.471 350 HG2 GLU 45 2HG GLU 45 -11.472 -7.573 -6.134 351 HG3 GLU 45 1HG GLU 45 -12.135 -6.038 -6.688 352 H THR 46 H THR 46 -10.491 -5.684 -3.836 353 HA THR 46 HA THR 46 -8.315 -7.037 -2.556 354 HB THR 46 HB THR 46 -9.597 -6.828 -0.521 355 HG1 THR 46 1HG THR 46 -11.751 -6.156 -0.559 356 HG21 THR 46 3HG2 THR 46 -10.021 -4.393 -0.512 357 HG22 THR 46 1HG2 THR 46 -9.887 -4.381 -2.270 358 HG23 THR 46 2HG2 THR 46 -8.488 -4.802 -1.281 359 H ARG 47 H ARG 47 -9.114 -8.791 -0.857 360 HA ARG 47 HA ARG 47 -9.705 -11.164 -2.166 361 HB2 ARG 47 2HB ARG 47 -9.639 -10.260 0.657 362 HB3 ARG 47 1HB ARG 47 -10.464 -11.774 0.329 363 HG2 ARG 47 2HG ARG 47 -7.624 -11.144 -0.435 364 HG3 ARG 47 1HG ARG 47 -8.122 -12.079 0.979 365 HD2 ARG 47 2HD ARG 47 -8.439 -12.770 -1.924 366 HD3 ARG 47 1HD ARG 47 -7.573 -13.662 -0.673 367 HE ARG 47 HE ARG 47 -10.166 -13.581 0.199 368 HH11 ARG 47 1HH1 ARG 47 -8.492 -14.840 -2.595 369 HH12 ARG 47 2HH1 ARG 47 -9.736 -15.986 -2.995 370 HH21 ARG 47 1HH2 ARG 47 -11.815 -15.063 -0.306 371 HH22 ARG 47 2HH2 ARG 47 -11.638 -16.118 -1.681 372 H ASP 48 H ASP 48 -11.836 -8.726 -0.949 373 HA ASP 48 HA ASP 48 -14.124 -10.546 -1.012 374 HB2 ASP 48 2HB ASP 48 -13.982 -7.660 -0.109 375 HB3 ASP 48 1HB ASP 48 -15.362 -8.739 0.077 376 H GLY 49 H GLY 49 -12.559 -9.126 -3.325 377 HA2 GLY 49 2HA GLY 49 -13.190 -8.576 -5.477 378 HA3 GLY 49 1HA GLY 49 -14.863 -8.848 -5.007 379 H THR 50 H THR 50 -12.899 -6.714 -3.158 380 HA THR 50 HA THR 50 -14.669 -4.504 -3.844 381 HB THR 50 HB THR 50 -12.470 -4.595 -1.769 382 HG1 THR 50 1HG THR 50 -13.844 -5.571 -0.459 383 HG21 THR 50 3HG2 THR 50 -13.726 -2.768 -0.727 384 HG22 THR 50 1HG2 THR 50 -14.901 -2.819 -2.042 385 HG23 THR 50 2HG2 THR 50 -13.234 -2.345 -2.367 386 H LYS 51 H LYS 51 -14.117 -3.163 -5.409 387 HA LYS 51 HA LYS 51 -11.363 -2.955 -6.251 388 HB2 LYS 51 2HB LYS 51 -13.986 -2.075 -7.355 389 HB3 LYS 51 1HB LYS 51 -12.529 -1.271 -7.888 390 HG2 LYS 51 2HG LYS 51 -11.620 -3.481 -8.537 391 HG3 LYS 51 1HG LYS 51 -13.188 -4.184 -8.125 392 HD2 LYS 51 2HD LYS 51 -14.254 -2.649 -9.738 393 HD3 LYS 51 1HD LYS 51 -12.652 -2.054 -10.186 394 HE2 LYS 51 2HE LYS 51 -13.448 -3.713 -11.773 395 HE3 LYS 51 1HE LYS 51 -12.017 -4.278 -10.916 396 HZ1 LYS 51 3HZ LYS 51 -14.666 -5.002 -9.883 397 HZ2 LYS 51 1HZ LYS 51 -13.198 -5.843 -9.767 398 HZ3 LYS 51 2HZ LYS 51 -14.061 -5.834 -11.231 399 H ILE 52 H ILE 52 -10.078 -1.648 -5.254 400 HA ILE 52 HA ILE 52 -11.088 0.953 -4.315 401 HB ILE 52 HB ILE 52 -8.759 -0.684 -3.290 402 HG12 ILE 52 2HG1 ILE 52 -11.360 0.074 -1.942 403 HG13 ILE 52 1HG1 ILE 52 -11.038 -1.493 -2.674 404 HG21 ILE 52 1HG2 ILE 52 -8.437 1.030 -1.626 405 HG22 ILE 52 2HG2 ILE 52 -9.807 1.946 -2.256 406 HG23 ILE 52 3HG2 ILE 52 -8.350 1.757 -3.233 407 HD11 ILE 52 3HD1 ILE 52 -9.554 -0.299 -0.349 408 HD12 ILE 52 1HD1 ILE 52 -9.242 -1.873 -1.080 409 HD13 ILE 52 2HD1 ILE 52 -10.777 -1.568 -0.268 410 H ILE 53 H ILE 53 -10.093 2.750 -5.063 411 HA ILE 53 HA ILE 53 -8.200 2.332 -7.251 412 HB ILE 53 HB ILE 53 -9.663 4.861 -6.480 413 HG12 ILE 53 2HG1 ILE 53 -11.293 3.208 -7.094 414 HG13 ILE 53 1HG1 ILE 53 -11.098 4.299 -8.464 415 HG21 ILE 53 1HG2 ILE 53 -9.078 5.618 -8.738 416 HG22 ILE 53 2HG2 ILE 53 -8.176 4.125 -9.003 417 HG23 ILE 53 3HG2 ILE 53 -7.639 5.273 -7.778 418 HD11 ILE 53 3HD1 ILE 53 -11.254 1.996 -9.196 419 HD12 ILE 53 1HD1 ILE 53 -9.879 1.563 -8.176 420 HD13 ILE 53 2HD1 ILE 53 -9.653 2.649 -9.550 421 H MET 54 H MET 54 -6.181 3.128 -7.295 422 HA MET 54 HA MET 54 -4.983 3.978 -4.812 423 HB2 MET 54 2HB MET 54 -3.956 2.421 -6.589 424 HB3 MET 54 1HB MET 54 -3.638 3.882 -7.510 425 HG2 MET 54 2HG MET 54 -1.645 3.448 -6.386 426 HG3 MET 54 1HG MET 54 -2.418 4.723 -5.441 427 HE1 MET 54 3HE MET 54 -0.020 2.905 -4.410 428 HE2 MET 54 1HE MET 54 -0.543 2.565 -2.760 429 HE3 MET 54 2HE MET 54 -0.753 4.180 -3.436 430 H LYS 55 H LYS 55 -6.762 5.859 -5.305 431 HA LYS 55 HA LYS 55 -5.210 8.232 -5.639 432 HB2 LYS 55 2HB LYS 55 -5.678 7.624 -8.019 433 HB3 LYS 55 1HB LYS 55 -7.397 7.705 -7.669 434 HG2 LYS 55 2HG LYS 55 -7.265 10.056 -7.233 435 HG3 LYS 55 1HG LYS 55 -5.505 10.022 -7.352 436 HD2 LYS 55 2HD LYS 55 -6.455 10.913 -9.393 437 HD3 LYS 55 1HD LYS 55 -5.698 9.352 -9.711 438 HE2 LYS 55 2HE LYS 55 -7.884 8.270 -9.648 439 HE3 LYS 55 1HE LYS 55 -8.650 9.817 -9.284 440 HZ1 LYS 55 3HZ LYS 55 -7.237 9.067 -11.788 441 HZ2 LYS 55 1HZ LYS 55 -7.775 10.640 -11.436 442 HZ3 LYS 55 2HZ LYS 55 -8.893 9.377 -11.596 443 H GLY 56 H GLY 56 -6.256 10.010 -4.720 444 HA2 GLY 56 2HA GLY 56 -7.986 11.211 -3.724 445 HA3 GLY 56 1HA GLY 56 -9.078 9.879 -4.074 446 H ASN 57 H ASN 57 -8.009 7.779 -2.833 447 HA ASN 57 HA ASN 57 -8.067 8.569 0.001 448 HB2 ASN 57 2HB ASN 57 -8.780 6.166 0.392 449 HB3 ASN 57 1HB ASN 57 -9.948 7.176 -0.443 450 HD21 ASN 57 1HD2 ASN 57 -7.081 5.645 -1.857 451 HD22 ASN 57 2HD2 ASN 57 -7.961 4.626 -2.943 452 H GLU 58 H GLU 58 -6.106 7.736 -2.384 453 HA GLU 58 HA GLU 58 -3.929 7.100 -0.602 454 HB2 GLU 58 2HB GLU 58 -5.019 4.909 -1.558 455 HB3 GLU 58 1HB GLU 58 -4.214 5.389 -3.047 456 HG2 GLU 58 2HG GLU 58 -3.021 4.540 -0.445 457 HG3 GLU 58 1HG GLU 58 -2.695 3.968 -2.075 458 H ILE 59 H ILE 59 -2.665 8.744 -1.124 459 HA ILE 59 HA ILE 59 -2.261 9.290 -3.978 460 HB ILE 59 HB ILE 59 -2.299 11.412 -1.820 461 HG12 ILE 59 2HG1 ILE 59 -4.435 10.791 -3.873 462 HG13 ILE 59 1HG1 ILE 59 -4.538 10.367 -2.169 463 HG21 ILE 59 1HG2 ILE 59 -0.933 11.991 -3.736 464 HG22 ILE 59 2HG2 ILE 59 -2.406 12.964 -3.721 465 HG23 ILE 59 3HG2 ILE 59 -2.263 11.598 -4.828 466 HD11 ILE 59 3HD1 ILE 59 -4.483 12.723 -1.570 467 HD12 ILE 59 1HD1 ILE 59 -5.811 12.374 -2.677 468 HD13 ILE 59 2HD1 ILE 59 -4.348 13.157 -3.274 469 H PHE 60 H PHE 60 -0.754 8.568 -0.997 470 HA PHE 60 HA PHE 60 1.700 9.993 -1.733 471 HB2 PHE 60 2HB PHE 60 0.710 10.327 0.547 472 HB3 PHE 60 1HB PHE 60 1.078 8.643 0.891 473 HD1 PHE 60 1HD PHE 60 2.657 11.856 -0.088 474 HD2 PHE 60 2HD PHE 60 3.170 8.032 1.696 475 HE1 PHE 60 1HE PHE 60 4.921 12.499 0.621 476 HE2 PHE 60 2HE PHE 60 5.437 8.666 2.411 477 HZ PHE 60 HZ PHE 60 6.311 10.918 1.873 478 H ARG 61 H ARG 61 0.476 6.775 -0.987 479 HA ARG 61 HA ARG 61 1.245 4.683 -1.440 480 HB2 ARG 61 2HB ARG 61 3.296 5.689 -3.356 481 HB3 ARG 61 1HB ARG 61 2.189 4.335 -3.515 482 HG2 ARG 61 2HG ARG 61 0.357 5.847 -3.974 483 HG3 ARG 61 1HG ARG 61 1.414 7.235 -3.711 484 HD2 ARG 61 2HD ARG 61 2.871 6.128 -5.563 485 HD3 ARG 61 1HD ARG 61 1.374 5.291 -5.976 486 HE ARG 61 HE ARG 61 0.531 7.806 -5.903 487 HH11 ARG 61 1HH1 ARG 61 3.353 6.386 -7.423 488 HH12 ARG 61 2HH1 ARG 61 3.506 7.643 -8.606 489 HH21 ARG 61 1HH2 ARG 61 0.723 9.448 -7.484 490 HH22 ARG 61 2HH2 ARG 61 2.010 9.379 -8.641 491 H LEU 62 H LEU 62 3.510 3.451 -1.908 492 HA LEU 62 HA LEU 62 5.514 4.426 0.003 493 HB2 LEU 62 2HB LEU 62 5.496 1.834 -1.555 494 HB3 LEU 62 1HB LEU 62 6.592 2.262 -0.262 495 HG LEU 62 HG LEU 62 3.632 1.759 0.063 496 HD11 LEU 62 1HD1 LEU 62 4.332 -0.322 1.111 497 HD12 LEU 62 2HD1 LEU 62 6.024 0.073 0.793 498 HD13 LEU 62 3HD1 LEU 62 4.923 -0.234 -0.550 499 HD21 LEU 62 3HD2 LEU 62 5.818 2.243 2.089 500 HD22 LEU 62 1HD2 LEU 62 4.173 1.727 2.470 501 HD23 LEU 62 2HD2 LEU 62 4.458 3.310 1.740 502 H ASP 63 H ASP 63 4.959 3.526 -3.315 503 HA ASP 63 HA ASP 63 7.540 3.368 -4.277 504 HB2 ASP 63 2HB ASP 63 5.811 2.452 -5.595 505 HB3 ASP 63 1HB ASP 63 4.915 3.966 -5.616 506 H GLU 64 H GLU 64 5.322 6.086 -4.992 507 HA GLU 64 HA GLU 64 7.272 7.598 -6.298 508 HB2 GLU 64 2HB GLU 64 4.786 7.873 -6.486 509 HB3 GLU 64 1HB GLU 64 4.815 8.692 -4.933 510 HG2 GLU 64 2HG GLU 64 6.130 10.470 -5.809 511 HG3 GLU 64 1HG GLU 64 6.394 9.603 -7.322 512 H ALA 65 H ALA 65 6.216 7.599 -2.958 513 HA ALA 65 HA ALA 65 7.534 9.864 -2.049 514 HB1 ALA 65 1HB ALA 65 7.453 8.797 0.176 515 HB2 ALA 65 2HB ALA 65 6.969 7.284 -0.591 516 HB3 ALA 65 3HB ALA 65 5.919 8.698 -0.684 517 H LEU 66 H LEU 66 8.708 6.581 -2.546 518 HA LEU 66 HA LEU 66 11.304 7.142 -1.437 519 HB2 LEU 66 2HB LEU 66 10.270 4.790 -3.025 520 HB3 LEU 66 1HB LEU 66 11.839 4.866 -2.256 521 HG LEU 66 HG LEU 66 9.170 4.877 -0.853 522 HD11 LEU 66 1HD1 LEU 66 9.913 2.713 0.026 523 HD12 LEU 66 2HD1 LEU 66 11.363 2.813 -0.975 524 HD13 LEU 66 3HD1 LEU 66 9.773 2.700 -1.732 525 HD21 LEU 66 3HD2 LEU 66 10.459 4.792 1.223 526 HD22 LEU 66 1HD2 LEU 66 10.773 6.283 0.334 527 HD23 LEU 66 2HD2 LEU 66 11.955 4.973 0.309 528 H ARG 67 H ARG 67 9.758 7.506 -4.459 529 HA ARG 67 HA ARG 67 12.138 7.396 -6.066 530 HB2 ARG 67 2HB ARG 67 9.461 8.626 -6.754 531 HB3 ARG 67 1HB ARG 67 10.748 8.232 -7.882 532 HG2 ARG 67 2HG ARG 67 9.163 6.262 -6.253 533 HG3 ARG 67 1HG ARG 67 8.954 6.603 -7.970 534 HD2 ARG 67 2HD ARG 67 11.201 5.787 -8.423 535 HD3 ARG 67 1HD ARG 67 11.460 5.499 -6.701 536 HE ARG 67 HE ARG 67 9.154 4.111 -7.520 537 HH11 ARG 67 1HH1 ARG 67 12.645 4.002 -7.947 538 HH12 ARG 67 2HH1 ARG 67 12.673 2.278 -8.206 539 HH21 ARG 67 1HH2 ARG 67 9.187 1.905 -7.860 540 HH22 ARG 67 2HH2 ARG 67 10.686 1.071 -8.160 541 H LYS 68 H LYS 68 9.882 10.113 -5.680 542 HA LYS 68 HA LYS 68 12.119 11.933 -5.221 543 HB2 LYS 68 2HB LYS 68 10.303 11.996 -7.626 544 HB3 LYS 68 1HB LYS 68 11.134 13.437 -7.062 545 HG2 LYS 68 2HG LYS 68 13.264 12.483 -7.492 546 HG3 LYS 68 1HG LYS 68 12.561 10.888 -7.767 547 HD2 LYS 68 2HD LYS 68 11.491 11.651 -9.781 548 HD3 LYS 68 1HD LYS 68 11.994 13.312 -9.472 549 HE2 LYS 68 2HE LYS 68 13.384 12.188 -11.180 550 HE3 LYS 68 1HE LYS 68 14.311 12.717 -9.778 551 HZ1 LYS 68 3HZ LYS 68 14.883 10.456 -10.572 552 HZ2 LYS 68 1HZ LYS 68 13.322 9.937 -10.165 553 HZ3 LYS 68 2HZ LYS 68 14.377 10.486 -8.958 554 H GLY 69 H GLY 69 9.619 10.936 -3.830 555 HA2 GLY 69 2HA GLY 69 8.504 12.094 -2.086 556 HA3 GLY 69 1HA GLY 69 8.715 13.594 -2.981 557 H HIS 70 H HIS 70 6.816 14.394 -3.613 558 HA HIS 70 HA HIS 70 5.072 12.655 -5.158 559 HB2 HIS 70 2HB HIS 70 4.059 12.428 -2.974 560 HB3 HIS 70 1HB HIS 70 4.080 14.172 -2.734 561 HD1 HIS 70 1HD HIS 70 2.680 11.904 -5.475 562 HD2 HIS 70 2HD HIS 70 1.589 15.151 -3.102 563 HE1 HIS 70 1HE HIS 70 0.340 12.509 -6.171 564 HE2 HIS 70 2HE HIS 70 -0.202 14.610 -4.893 565 H SER 71 H SER 71 5.960 13.936 -6.820 566 HA SER 71 HA SER 71 4.300 16.199 -7.418 567 HB2 SER 71 2HB SER 71 7.288 16.564 -7.110 568 HB3 SER 71 1HB SER 71 6.238 17.707 -7.947 569 HG SER 71 HG SER 71 5.490 16.948 -5.372 570 H GLU 72 H GLU 72 3.800 16.112 -9.489 571 HA GLU 72 HA GLU 72 5.543 14.612 -11.309 572 HB2 GLU 72 2HB GLU 72 3.205 15.331 -12.682 573 HB3 GLU 72 1HB GLU 72 3.616 13.744 -12.052 574 HG2 GLU 72 2HG GLU 72 1.466 14.232 -11.247 575 HG3 GLU 72 1HG GLU 72 2.555 14.450 -9.882 576 H GLY 73 H GLY 73 3.776 17.641 -10.963 577 HA2 GLY 73 2HA GLY 73 5.932 19.122 -12.143 578 HA3 GLY 73 1HA GLY 73 4.531 19.023 -13.205 579 H GLY 74 H GLY 74 4.790 19.336 -9.678 580 HA2 GLY 74 2HA GLY 74 3.013 21.678 -9.877 581 HA3 GLY 74 1HA GLY 74 3.035 20.558 -8.521 Start of MODEL 3 1 H1 VAL 1 1HT VAL 1 8.565 -2.205 5.582 2 H2 VAL 1 2HT VAL 1 7.292 -3.319 5.633 3 H3 VAL 1 3HT VAL 1 8.679 -3.579 6.561 4 HA VAL 1 HA VAL 1 8.175 -1.445 7.734 5 HB VAL 1 HB VAL 1 5.918 -0.646 7.731 6 HG11 VAL 1 2HG1 VAL 1 5.657 0.228 5.472 7 HG12 VAL 1 3HG1 VAL 1 6.829 -0.951 4.879 8 HG13 VAL 1 1HG1 VAL 1 7.337 0.304 6.008 9 HG21 VAL 1 1HG2 VAL 1 4.174 -1.555 6.250 10 HG22 VAL 1 2HG2 VAL 1 4.728 -2.728 7.443 11 HG23 VAL 1 3HG2 VAL 1 5.279 -2.846 5.770 12 H ASP 2 H ASP 2 7.082 -1.609 9.767 13 HA ASP 2 HA ASP 2 6.386 -4.349 10.513 14 HB2 ASP 2 2HB ASP 2 7.942 -2.993 11.943 15 HB3 ASP 2 1HB ASP 2 6.610 -1.884 12.262 16 H MET 3 H MET 3 4.394 -4.472 12.057 17 HA MET 3 HA MET 3 2.221 -3.298 10.525 18 HB2 MET 3 2HB MET 3 2.146 -5.398 12.697 19 HB3 MET 3 1HB MET 3 0.768 -4.872 11.740 20 HG2 MET 3 2HG MET 3 2.347 -5.575 9.741 21 HG3 MET 3 1HG MET 3 3.065 -6.594 10.989 22 HE1 MET 3 3HE MET 3 -0.695 -5.454 10.451 23 HE2 MET 3 1HE MET 3 -1.282 -6.814 9.490 24 HE3 MET 3 2HE MET 3 -0.026 -5.757 8.846 25 H SER 4 H SER 4 3.994 -2.359 13.056 26 HA SER 4 HA SER 4 2.245 -1.420 14.984 27 HB2 SER 4 2HB SER 4 4.808 -0.259 13.895 28 HB3 SER 4 1HB SER 4 3.971 0.411 15.298 29 HG SER 4 HG SER 4 5.109 -2.176 15.000 30 H ASN 5 H ASN 5 2.988 -0.107 11.804 31 HA ASN 5 HA ASN 5 1.275 2.208 12.327 32 HB2 ASN 5 2HB ASN 5 3.215 1.517 10.152 33 HB3 ASN 5 1HB ASN 5 1.970 2.725 9.851 34 HD21 ASN 5 1HD2 ASN 5 4.885 1.971 11.532 35 HD22 ASN 5 2HD2 ASN 5 5.182 3.565 12.159 36 H VAL 6 H VAL 6 1.111 -0.873 10.870 37 HA VAL 6 HA VAL 6 -0.825 -0.230 8.858 38 HB VAL 6 HB VAL 6 -0.106 -2.946 9.977 39 HG11 VAL 6 1HG1 VAL 6 -1.400 -2.169 7.365 40 HG12 VAL 6 2HG1 VAL 6 -2.212 -2.916 8.743 41 HG13 VAL 6 3HG1 VAL 6 -0.968 -3.805 7.864 42 HG21 VAL 6 3HG2 VAL 6 1.405 -3.142 8.054 43 HG22 VAL 6 1HG2 VAL 6 1.874 -1.823 9.127 44 HG23 VAL 6 2HG2 VAL 6 1.047 -1.473 7.611 45 H VAL 7 H VAL 7 -2.991 -0.206 8.996 46 HA VAL 7 HA VAL 7 -4.207 -1.131 11.515 47 HB VAL 7 HB VAL 7 -4.533 1.269 11.078 48 HG11 VAL 7 1HG1 VAL 7 -5.981 0.381 8.589 49 HG12 VAL 7 2HG1 VAL 7 -4.460 1.272 8.658 50 HG13 VAL 7 3HG1 VAL 7 -5.947 2.025 9.231 51 HG21 VAL 7 3HG2 VAL 7 -7.056 -0.369 10.848 52 HG22 VAL 7 1HG2 VAL 7 -6.979 1.329 11.321 53 HG23 VAL 7 2HG2 VAL 7 -6.231 0.096 12.336 54 H LYS 8 H LYS 8 -4.289 -1.357 8.028 55 HA LYS 8 HA LYS 8 -5.758 -3.846 8.233 56 HB2 LYS 8 2HB LYS 8 -7.076 -1.435 7.385 57 HB3 LYS 8 1HB LYS 8 -6.936 -2.522 6.016 58 HG2 LYS 8 2HG LYS 8 -8.067 -3.343 8.673 59 HG3 LYS 8 1HG LYS 8 -9.047 -2.732 7.338 60 HD2 LYS 8 2HD LYS 8 -8.195 -4.573 5.926 61 HD3 LYS 8 1HD LYS 8 -7.299 -5.195 7.312 62 HE2 LYS 8 2HE LYS 8 -9.400 -6.401 7.008 63 HE3 LYS 8 1HE LYS 8 -9.392 -5.509 8.529 64 HZ1 LYS 8 3HZ LYS 8 -10.694 -4.583 6.022 65 HZ2 LYS 8 1HZ LYS 8 -10.740 -3.797 7.526 66 HZ3 LYS 8 2HZ LYS 8 -11.498 -5.300 7.327 67 H THR 9 H THR 9 -5.606 -5.109 6.303 68 HA THR 9 HA THR 9 -3.904 -4.079 4.178 69 HB THR 9 HB THR 9 -3.272 -6.614 5.709 70 HG1 THR 9 1HG THR 9 -2.496 -4.188 6.145 71 HG21 THR 9 3HG2 THR 9 -2.051 -5.521 3.169 72 HG22 THR 9 1HG2 THR 9 -2.972 -7.017 3.331 73 HG23 THR 9 2HG2 THR 9 -1.396 -6.861 4.110 74 H TYR 10 H TYR 10 -4.935 -4.453 2.354 75 HA TYR 10 HA TYR 10 -6.995 -6.515 2.296 76 HB2 TYR 10 2HB TYR 10 -6.367 -4.559 0.089 77 HB3 TYR 10 1HB TYR 10 -7.872 -5.425 0.379 78 HD1 TYR 10 2HD TYR 10 -8.679 -4.939 3.013 79 HD2 TYR 10 1HD TYR 10 -6.572 -2.300 0.431 80 HE1 TYR 10 2HE TYR 10 -9.488 -3.008 4.320 81 HE2 TYR 10 1HE TYR 10 -7.372 -0.373 1.717 82 HH TYR 10 HH TYR 10 -8.952 -0.719 4.748 83 H ASP 11 H ASP 11 -6.632 -8.416 1.442 84 HA ASP 11 HA ASP 11 -4.234 -9.026 0.024 85 HB2 ASP 11 2HB ASP 11 -6.759 -10.636 0.470 86 HB3 ASP 11 1HB ASP 11 -5.313 -11.268 -0.309 87 H LEU 12 H LEU 12 -3.946 -8.272 -1.961 88 HA LEU 12 HA LEU 12 -6.108 -7.771 -3.758 89 HB2 LEU 12 2HB LEU 12 -3.143 -7.555 -3.853 90 HB3 LEU 12 1HB LEU 12 -3.995 -7.671 -5.386 91 HG LEU 12 HG LEU 12 -3.729 -5.384 -5.047 92 HD11 LEU 12 1HD1 LEU 12 -5.964 -4.498 -4.659 93 HD12 LEU 12 2HD1 LEU 12 -6.458 -6.050 -3.979 94 HD13 LEU 12 3HD1 LEU 12 -5.996 -5.938 -5.678 95 HD21 LEU 12 3HD2 LEU 12 -2.984 -5.441 -2.730 96 HD22 LEU 12 1HD2 LEU 12 -4.645 -5.705 -2.198 97 HD23 LEU 12 2HD2 LEU 12 -4.202 -4.188 -2.989 98 H GLN 13 H GLN 13 -6.735 -8.948 -5.540 99 HA GLN 13 HA GLN 13 -6.564 -11.763 -5.192 100 HB2 GLN 13 2HB GLN 13 -7.837 -10.008 -7.266 101 HB3 GLN 13 1HB GLN 13 -7.854 -11.762 -7.411 102 HG2 GLN 13 2HG GLN 13 -9.060 -11.977 -5.356 103 HG3 GLN 13 1HG GLN 13 -8.919 -10.247 -5.043 104 HE21 GLN 13 1HE2 GLN 13 -10.190 -8.823 -6.170 105 HE22 GLN 13 2HE2 GLN 13 -11.559 -9.319 -7.115 106 H ASP 14 H ASP 14 -4.660 -9.562 -6.981 107 HA ASP 14 HA ASP 14 -3.822 -11.424 -9.009 108 HB2 ASP 14 2HB ASP 14 -2.338 -9.700 -9.751 109 HB3 ASP 14 1HB ASP 14 -3.839 -8.911 -9.287 110 H GLY 15 H GLY 15 -2.934 -10.683 -5.783 111 HA2 GLY 15 2HA GLY 15 -1.522 -12.450 -4.738 112 HA3 GLY 15 1HA GLY 15 -0.444 -12.231 -6.110 113 H SER 16 H SER 16 -1.659 -9.260 -5.383 114 HA SER 16 HA SER 16 0.720 -8.564 -3.850 115 HB2 SER 16 2HB SER 16 -1.352 -6.755 -5.115 116 HB3 SER 16 1HB SER 16 0.186 -6.258 -4.417 117 HG SER 16 HG SER 16 -0.355 -7.509 -6.849 118 H LYS 17 H LYS 17 0.251 -6.660 -2.238 119 HA LYS 17 HA LYS 17 -2.261 -6.949 -0.813 120 HB2 LYS 17 2HB LYS 17 0.416 -7.629 0.397 121 HB3 LYS 17 1HB LYS 17 -0.965 -7.170 1.374 122 HG2 LYS 17 2HG LYS 17 -2.196 -9.111 0.595 123 HG3 LYS 17 1HG LYS 17 -0.856 -9.553 -0.468 124 HD2 LYS 17 2HD LYS 17 -0.673 -10.906 1.483 125 HD3 LYS 17 1HD LYS 17 0.596 -9.685 1.579 126 HE2 LYS 17 2HE LYS 17 -0.240 -9.598 3.713 127 HE3 LYS 17 1HE LYS 17 -1.209 -8.354 2.927 128 HZ1 LYS 17 3HZ LYS 17 -2.752 -9.605 4.097 129 HZ2 LYS 17 1HZ LYS 17 -2.001 -11.080 3.725 130 HZ3 LYS 17 2HZ LYS 17 -2.869 -10.253 2.532 131 H VAL 18 H VAL 18 -2.865 -5.001 -0.070 132 HA VAL 18 HA VAL 18 -0.803 -2.909 -0.058 133 HB VAL 18 HB VAL 18 -2.708 -2.441 -1.508 134 HG11 VAL 18 1HG1 VAL 18 -4.948 -2.067 -0.634 135 HG12 VAL 18 2HG1 VAL 18 -4.416 -2.585 0.966 136 HG13 VAL 18 3HG1 VAL 18 -4.428 -3.734 -0.373 137 HG21 VAL 18 3HG2 VAL 18 -2.610 -0.699 0.943 138 HG22 VAL 18 1HG2 VAL 18 -3.362 -0.245 -0.587 139 HG23 VAL 18 2HG2 VAL 18 -1.624 -0.551 -0.516 140 H HIS 19 H HIS 19 -0.077 -2.194 1.848 141 HA HIS 19 HA HIS 19 -1.543 -3.049 4.248 142 HB2 HIS 19 2HB HIS 19 1.208 -1.821 4.283 143 HB3 HIS 19 1HB HIS 19 0.464 -2.868 5.482 144 HD1 HIS 19 1HD HIS 19 -0.015 -5.454 4.359 145 HD2 HIS 19 2HD HIS 19 3.068 -3.091 2.876 146 HE1 HIS 19 1HE HIS 19 1.503 -7.045 3.097 147 HE2 HIS 19 2HE HIS 19 3.460 -5.614 2.387 148 H VAL 20 H VAL 20 -3.008 -1.580 4.697 149 HA VAL 20 HA VAL 20 -2.541 1.236 4.153 150 HB VAL 20 HB VAL 20 -4.971 0.207 5.577 151 HG11 VAL 20 1HG1 VAL 20 -4.578 2.246 3.401 152 HG12 VAL 20 2HG1 VAL 20 -4.685 2.599 5.130 153 HG13 VAL 20 3HG1 VAL 20 -6.077 1.926 4.281 154 HG21 VAL 20 3HG2 VAL 20 -4.459 -0.135 2.626 155 HG22 VAL 20 1HG2 VAL 20 -5.995 -0.418 3.446 156 HG23 VAL 20 2HG2 VAL 20 -4.597 -1.429 3.815 157 H PHE 21 H PHE 21 -1.785 2.589 5.620 158 HA PHE 21 HA PHE 21 -1.388 1.541 8.317 159 HB2 PHE 21 2HB PHE 21 -0.176 4.059 7.206 160 HB3 PHE 21 1HB PHE 21 0.395 3.064 8.532 161 HD1 PHE 21 2HD PHE 21 1.209 0.698 7.962 162 HD2 PHE 21 1HD PHE 21 0.743 3.780 5.062 163 HE1 PHE 21 2HE PHE 21 2.681 -0.522 6.424 164 HE2 PHE 21 1HE PHE 21 2.214 2.563 3.526 165 HZ PHE 21 HZ PHE 21 3.303 0.516 4.233 166 H LYS 22 H LYS 22 -1.584 3.033 10.128 167 HA LYS 22 HA LYS 22 -4.040 4.481 10.160 168 HB2 LYS 22 2HB LYS 22 -1.759 4.250 12.123 169 HB3 LYS 22 1HB LYS 22 -3.223 5.167 12.461 170 HG2 LYS 22 2HG LYS 22 -4.568 3.198 12.327 171 HG3 LYS 22 1HG LYS 22 -3.197 2.243 11.756 172 HD2 LYS 22 2HD LYS 22 -3.306 3.604 14.444 173 HD3 LYS 22 1HD LYS 22 -3.760 1.920 14.172 174 HE2 LYS 22 2HE LYS 22 -1.480 1.527 13.250 175 HE3 LYS 22 1HE LYS 22 -1.055 3.172 13.726 176 HZ1 LYS 22 3HZ LYS 22 -0.386 1.446 15.351 177 HZ2 LYS 22 1HZ LYS 22 -2.023 1.089 15.611 178 HZ3 LYS 22 2HZ LYS 22 -1.416 2.619 16.011 179 H ASP 23 H ASP 23 -1.246 5.238 8.767 180 HA ASP 23 HA ASP 23 -0.868 7.966 9.499 181 HB2 ASP 23 2HB ASP 23 0.961 6.670 8.582 182 HB3 ASP 23 1HB ASP 23 0.045 6.341 7.116 183 H GLY 24 H GLY 24 -2.919 6.262 7.288 184 HA2 GLY 24 2HA GLY 24 -4.913 7.377 6.497 185 HA3 GLY 24 1HA GLY 24 -3.969 8.853 6.350 186 H LYS 25 H LYS 25 -1.936 6.599 5.278 187 HA LYS 25 HA LYS 25 -2.969 6.631 2.517 188 HB2 LYS 25 2HB LYS 25 -0.083 6.960 3.397 189 HB3 LYS 25 1HB LYS 25 -0.635 6.838 1.731 190 HG2 LYS 25 2HG LYS 25 -2.015 8.902 2.147 191 HG3 LYS 25 1HG LYS 25 -1.168 9.063 3.684 192 HD2 LYS 25 2HD LYS 25 0.230 8.903 1.022 193 HD3 LYS 25 1HD LYS 25 -0.236 10.423 1.783 194 HE2 LYS 25 2HE LYS 25 1.609 8.351 2.967 195 HE3 LYS 25 1HE LYS 25 2.111 9.857 2.202 196 HZ1 LYS 25 3HZ LYS 25 2.131 10.338 4.458 197 HZ2 LYS 25 1HZ LYS 25 0.708 9.469 4.773 198 HZ3 LYS 25 2HZ LYS 25 0.631 10.957 3.958 199 H MET 26 H MET 26 -1.575 4.922 1.204 200 HA MET 26 HA MET 26 -1.713 2.483 2.850 201 HB2 MET 26 2HB MET 26 -2.572 2.703 -0.033 202 HB3 MET 26 1HB MET 26 -2.783 1.327 1.039 203 HG2 MET 26 2HG MET 26 -4.236 2.818 2.462 204 HG3 MET 26 1HG MET 26 -4.178 3.981 1.139 205 HE1 MET 26 3HE MET 26 -5.736 1.814 -1.772 206 HE2 MET 26 1HE MET 26 -4.037 1.865 -1.298 207 HE3 MET 26 2HE MET 26 -4.982 3.354 -1.355 208 H GLY 27 H GLY 27 -0.002 1.223 2.790 209 HA2 GLY 27 2HA GLY 27 2.182 1.814 0.980 210 HA3 GLY 27 1HA GLY 27 2.183 0.627 2.280 211 H MET 28 H MET 28 1.930 1.133 -1.034 212 HA MET 28 HA MET 28 0.477 -1.279 -1.642 213 HB2 MET 28 2HB MET 28 0.185 0.559 -3.129 214 HB3 MET 28 1HB MET 28 1.921 0.749 -3.338 215 HG2 MET 28 2HG MET 28 1.428 -0.323 -5.265 216 HG3 MET 28 1HG MET 28 1.748 -1.699 -4.217 217 HE1 MET 28 3HE MET 28 -2.066 -2.686 -3.347 218 HE2 MET 28 1HE MET 28 -1.147 -1.448 -2.481 219 HE3 MET 28 2HE MET 28 -0.387 -2.991 -2.898 220 H GLU 29 H GLU 29 1.302 -3.243 -1.734 221 HA GLU 29 HA GLU 29 4.086 -3.693 -2.511 222 HB2 GLU 29 2HB GLU 29 3.907 -3.401 0.015 223 HB3 GLU 29 1HB GLU 29 2.888 -4.821 0.029 224 HG2 GLU 29 2HG GLU 29 4.715 -6.175 -0.735 225 HG3 GLU 29 1HG GLU 29 5.737 -4.748 -0.915 226 H ASN 30 H ASN 30 4.398 -6.169 -2.774 227 HA ASN 30 HA ASN 30 1.842 -7.426 -3.462 228 HB2 ASN 30 2HB ASN 30 3.079 -9.158 -4.601 229 HB3 ASN 30 1HB ASN 30 3.680 -7.598 -5.144 230 HD21 ASN 30 1HD2 ASN 30 5.764 -7.045 -4.743 231 HD22 ASN 30 2HD2 ASN 30 6.917 -8.127 -4.054 232 H LYS 31 H LYS 31 1.906 -9.933 -2.810 233 HA LYS 31 HA LYS 31 1.542 -9.727 -0.017 234 HB2 LYS 31 2HB LYS 31 0.490 -11.752 -0.154 235 HB3 LYS 31 1HB LYS 31 0.426 -11.280 -1.844 236 HG2 LYS 31 2HG LYS 31 1.165 -13.403 -2.096 237 HG3 LYS 31 1HG LYS 31 2.729 -12.602 -1.900 238 HD2 LYS 31 2HD LYS 31 2.944 -14.302 -0.372 239 HD3 LYS 31 1HD LYS 31 2.262 -13.025 0.651 240 HE2 LYS 31 2HE LYS 31 0.026 -13.971 0.309 241 HE3 LYS 31 1HE LYS 31 0.725 -15.253 -0.683 242 HZ1 LYS 31 3HZ LYS 31 1.288 -14.770 2.195 243 HZ2 LYS 31 1HZ LYS 31 2.009 -15.977 1.248 244 HZ3 LYS 31 2HZ LYS 31 0.345 -16.025 1.557 245 H PHE 32 H PHE 32 4.325 -10.479 -1.843 246 HA PHE 32 HA PHE 32 5.521 -12.085 0.279 247 HB2 PHE 32 2HB PHE 32 6.614 -11.348 -2.443 248 HB3 PHE 32 1HB PHE 32 7.326 -12.503 -1.320 249 HD1 PHE 32 2HD PHE 32 5.999 -14.572 -0.726 250 HD2 PHE 32 1HD PHE 32 4.953 -11.999 -3.951 251 HE1 PHE 32 2HE PHE 32 4.615 -16.357 -1.693 252 HE2 PHE 32 1HE PHE 32 3.560 -13.782 -4.924 253 HZ PHE 32 HZ PHE 32 3.387 -15.964 -3.789 254 H GLY 33 H GLY 33 5.254 -8.838 -0.429 255 HA2 GLY 33 2HA GLY 33 6.307 -7.018 0.494 256 HA3 GLY 33 1HA GLY 33 7.262 -8.136 1.462 257 H LYS 34 H LYS 34 7.148 -8.139 -2.036 258 HA LYS 34 HA LYS 34 9.982 -7.382 -2.073 259 HB2 LYS 34 2HB LYS 34 9.331 -9.531 -3.150 260 HB3 LYS 34 1HB LYS 34 8.313 -8.635 -4.264 261 HG2 LYS 34 2HG LYS 34 10.414 -9.260 -5.305 262 HG3 LYS 34 1HG LYS 34 10.269 -7.507 -5.177 263 HD2 LYS 34 2HD LYS 34 12.511 -8.156 -4.581 264 HD3 LYS 34 1HD LYS 34 11.674 -7.581 -3.139 265 HE2 LYS 34 2HE LYS 34 11.261 -9.879 -2.440 266 HE3 LYS 34 1HE LYS 34 12.043 -10.475 -3.905 267 HZ1 LYS 34 3HZ LYS 34 13.523 -10.531 -1.975 268 HZ2 LYS 34 1HZ LYS 34 13.381 -8.848 -1.803 269 HZ3 LYS 34 2HZ LYS 34 14.120 -9.505 -3.186 270 H SER 35 H SER 35 10.688 -5.941 -3.822 271 HA SER 35 HA SER 35 9.292 -3.518 -3.817 272 HB2 SER 35 2HB SER 35 11.327 -4.297 -5.904 273 HB3 SER 35 1HB SER 35 11.043 -2.709 -5.193 274 HG SER 35 HG SER 35 12.176 -3.246 -3.461 275 H MET 36 H MET 36 7.543 -2.935 -4.907 276 HA MET 36 HA MET 36 7.084 -4.028 -7.593 277 HB2 MET 36 2HB MET 36 4.743 -4.371 -7.131 278 HB3 MET 36 1HB MET 36 5.666 -5.223 -5.900 279 HG2 MET 36 2HG MET 36 4.363 -4.209 -4.419 280 HG3 MET 36 1HG MET 36 5.263 -2.736 -4.786 281 HE1 MET 36 3HE MET 36 1.823 -4.394 -4.696 282 HE2 MET 36 1HE MET 36 2.385 -4.967 -6.272 283 HE3 MET 36 2HE MET 36 1.036 -3.835 -6.175 284 H ASN 37 H ASN 37 5.246 -2.660 -8.686 285 HA ASN 37 HA ASN 37 5.636 0.161 -7.950 286 HB2 ASN 37 2HB ASN 37 6.104 -0.977 -10.716 287 HB3 ASN 37 1HB ASN 37 6.131 0.733 -10.301 288 HD21 ASN 37 1HD2 ASN 37 7.791 -2.294 -10.106 289 HD22 ASN 37 2HD2 ASN 37 9.302 -1.667 -9.530 290 H MET 38 H MET 38 3.619 0.904 -7.634 291 HA MET 38 HA MET 38 1.859 0.736 -9.962 292 HB2 MET 38 2HB MET 38 0.777 -0.797 -8.488 293 HB3 MET 38 1HB MET 38 0.933 0.298 -7.116 294 HG2 MET 38 2HG MET 38 -0.599 1.854 -8.132 295 HG3 MET 38 1HG MET 38 -0.679 0.883 -9.592 296 HE1 MET 38 3HE MET 38 -2.484 -2.357 -8.088 297 HE2 MET 38 1HE MET 38 -0.746 -2.049 -8.056 298 HE3 MET 38 2HE MET 38 -1.677 -1.701 -9.514 299 HA PRO 39 HA PRO 39 1.634 5.128 -9.125 300 HB2 PRO 39 2HB PRO 39 0.297 5.384 -11.651 301 HB3 PRO 39 1HB PRO 39 1.968 5.797 -11.267 302 HG2 PRO 39 2HG PRO 39 1.221 3.753 -12.962 303 HG3 PRO 39 1HG PRO 39 2.772 3.835 -12.109 304 HD2 PRO 39 2HD PRO 39 0.307 2.293 -11.413 305 HD3 PRO 39 1HD PRO 39 2.014 1.805 -11.307 306 H GLU 40 H GLU 40 -0.567 6.510 -10.255 307 HA GLU 40 HA GLU 40 -2.692 5.457 -8.559 308 HB2 GLU 40 2HB GLU 40 -3.785 7.622 -8.890 309 HB3 GLU 40 1HB GLU 40 -2.138 7.827 -8.316 310 HG2 GLU 40 2HG GLU 40 -1.387 8.595 -10.388 311 HG3 GLU 40 1HG GLU 40 -2.810 7.978 -11.231 312 H GLY 41 H GLY 41 -4.901 5.359 -9.345 313 HA2 GLY 41 2HA GLY 41 -6.555 5.482 -11.040 314 HA3 GLY 41 1HA GLY 41 -5.284 5.552 -12.253 315 H LYS 42 H LYS 42 -4.721 3.220 -9.924 316 HA LYS 42 HA LYS 42 -5.361 1.139 -11.870 317 HB2 LYS 42 2HB LYS 42 -3.680 0.980 -9.368 318 HB3 LYS 42 1HB LYS 42 -3.828 -0.255 -10.612 319 HG2 LYS 42 2HG LYS 42 -2.745 2.505 -11.117 320 HG3 LYS 42 1HG LYS 42 -1.738 1.115 -10.704 321 HD2 LYS 42 2HD LYS 42 -2.358 -0.026 -12.695 322 HD3 LYS 42 1HD LYS 42 -3.623 1.154 -13.051 323 HE2 LYS 42 2HE LYS 42 -0.693 1.824 -12.905 324 HE3 LYS 42 1HE LYS 42 -1.523 1.404 -14.402 325 HZ1 LYS 42 3HZ LYS 42 -1.352 3.804 -14.093 326 HZ2 LYS 42 1HZ LYS 42 -2.226 3.698 -12.645 327 HZ3 LYS 42 2HZ LYS 42 -2.972 3.303 -14.114 328 H VAL 43 H VAL 43 -6.892 -0.309 -11.549 329 HA VAL 43 HA VAL 43 -8.636 -0.093 -9.286 330 HB VAL 43 HB VAL 43 -8.638 -2.084 -11.559 331 HG11 VAL 43 1HG1 VAL 43 -10.791 -1.425 -9.552 332 HG12 VAL 43 2HG1 VAL 43 -9.849 -2.914 -9.609 333 HG13 VAL 43 3HG1 VAL 43 -10.957 -2.521 -10.924 334 HG21 VAL 43 3HG2 VAL 43 -10.414 -0.686 -12.502 335 HG22 VAL 43 1HG2 VAL 43 -8.912 0.219 -12.324 336 HG23 VAL 43 2HG2 VAL 43 -10.224 0.455 -11.170 337 H MET 44 H MET 44 -7.756 -0.787 -7.412 338 HA MET 44 HA MET 44 -6.502 -3.429 -7.305 339 HB2 MET 44 2HB MET 44 -6.892 -1.337 -5.151 340 HB3 MET 44 1HB MET 44 -6.015 -2.849 -4.955 341 HG2 MET 44 2HG MET 44 -4.384 -2.129 -6.610 342 HG3 MET 44 1HG MET 44 -5.269 -0.620 -6.833 343 HE1 MET 44 3HE MET 44 -4.688 1.254 -3.499 344 HE2 MET 44 1HE MET 44 -6.097 0.324 -4.008 345 HE3 MET 44 2HE MET 44 -5.265 1.368 -5.161 346 H GLU 45 H GLU 45 -7.980 -5.001 -7.318 347 HA GLU 45 HA GLU 45 -10.459 -4.589 -5.821 348 HB2 GLU 45 2HB GLU 45 -10.578 -5.223 -8.207 349 HB3 GLU 45 1HB GLU 45 -9.794 -6.744 -7.822 350 HG2 GLU 45 2HG GLU 45 -11.690 -7.279 -6.326 351 HG3 GLU 45 1HG GLU 45 -12.475 -5.786 -6.843 352 H THR 46 H THR 46 -10.532 -5.325 -3.875 353 HA THR 46 HA THR 46 -8.570 -7.067 -2.772 354 HB THR 46 HB THR 46 -9.677 -6.775 -0.677 355 HG1 THR 46 1HG THR 46 -11.828 -5.841 -0.628 356 HG21 THR 46 3HG2 THR 46 -8.580 -4.761 -1.508 357 HG22 THR 46 1HG2 THR 46 -10.012 -4.339 -0.569 358 HG23 THR 46 2HG2 THR 46 -10.062 -4.276 -2.333 359 H ARG 47 H ARG 47 -9.400 -8.956 -1.308 360 HA ARG 47 HA ARG 47 -10.373 -10.990 -2.981 361 HB2 ARG 47 2HB ARG 47 -10.158 -10.875 0.028 362 HB3 ARG 47 1HB ARG 47 -10.552 -12.331 -0.873 363 HG2 ARG 47 2HG ARG 47 -8.002 -10.747 -1.110 364 HG3 ARG 47 1HG ARG 47 -8.200 -12.276 -0.251 365 HD2 ARG 47 2HD ARG 47 -8.784 -13.386 -2.335 366 HD3 ARG 47 1HD ARG 47 -8.646 -11.859 -3.204 367 HE ARG 47 HE ARG 47 -6.225 -11.944 -2.403 368 HH11 ARG 47 1HH1 ARG 47 -8.158 -14.767 -3.118 369 HH12 ARG 47 2HH1 ARG 47 -6.802 -15.751 -3.568 370 HH21 ARG 47 1HH2 ARG 47 -4.421 -13.238 -2.991 371 HH22 ARG 47 2HH2 ARG 47 -4.675 -14.886 -3.477 372 H ASP 48 H ASP 48 -12.068 -8.609 -1.212 373 HA ASP 48 HA ASP 48 -14.509 -10.157 -0.961 374 HB2 ASP 48 2HB ASP 48 -13.871 -8.517 0.779 375 HB3 ASP 48 1HB ASP 48 -13.963 -7.226 -0.412 376 H GLY 49 H GLY 49 -12.949 -8.526 -3.395 377 HA2 GLY 49 2HA GLY 49 -13.740 -8.108 -5.559 378 HA3 GLY 49 1HA GLY 49 -15.389 -8.254 -4.961 379 H THR 50 H THR 50 -13.038 -6.287 -3.350 380 HA THR 50 HA THR 50 -14.723 -3.943 -3.831 381 HB THR 50 HB THR 50 -12.393 -4.195 -1.922 382 HG1 THR 50 1HG THR 50 -14.507 -5.632 -1.760 383 HG21 THR 50 3HG2 THR 50 -13.475 -2.345 -0.756 384 HG22 THR 50 1HG2 THR 50 -14.786 -2.346 -1.936 385 HG23 THR 50 2HG2 THR 50 -13.151 -1.909 -2.434 386 H LYS 51 H LYS 51 -14.159 -2.606 -5.405 387 HA LYS 51 HA LYS 51 -11.451 -2.688 -6.440 388 HB2 LYS 51 2HB LYS 51 -14.029 -1.495 -7.407 389 HB3 LYS 51 1HB LYS 51 -12.491 -1.139 -8.163 390 HG2 LYS 51 2HG LYS 51 -12.162 -3.524 -8.608 391 HG3 LYS 51 1HG LYS 51 -13.728 -3.861 -7.867 392 HD2 LYS 51 2HD LYS 51 -14.824 -2.482 -9.569 393 HD3 LYS 51 1HD LYS 51 -13.250 -2.155 -10.306 394 HE2 LYS 51 2HE LYS 51 -12.958 -4.452 -10.871 395 HE3 LYS 51 1HE LYS 51 -14.373 -4.922 -9.933 396 HZ1 LYS 51 3HZ LYS 51 -14.577 -3.089 -12.244 397 HZ2 LYS 51 1HZ LYS 51 -15.805 -3.985 -11.496 398 HZ3 LYS 51 2HZ LYS 51 -14.631 -4.774 -12.432 399 H ILE 52 H ILE 52 -10.086 -1.506 -5.311 400 HA ILE 52 HA ILE 52 -10.875 1.219 -4.549 401 HB ILE 52 HB ILE 52 -8.621 -0.497 -3.493 402 HG12 ILE 52 2HG1 ILE 52 -11.200 0.371 -2.169 403 HG13 ILE 52 1HG1 ILE 52 -10.897 -1.234 -2.823 404 HG21 ILE 52 1HG2 ILE 52 -8.325 1.255 -1.809 405 HG22 ILE 52 2HG2 ILE 52 -9.556 2.230 -2.612 406 HG23 ILE 52 3HG2 ILE 52 -8.042 1.863 -3.442 407 HD11 ILE 52 3HD1 ILE 52 -10.646 -1.177 -0.407 408 HD12 ILE 52 1HD1 ILE 52 -9.391 0.050 -0.559 409 HD13 ILE 52 2HD1 ILE 52 -9.121 -1.571 -1.200 410 H ILE 53 H ILE 53 -10.178 2.740 -5.890 411 HA ILE 53 HA ILE 53 -7.979 2.236 -7.695 412 HB ILE 53 HB ILE 53 -9.816 4.605 -7.328 413 HG12 ILE 53 2HG1 ILE 53 -10.313 4.017 -9.774 414 HG13 ILE 53 1HG1 ILE 53 -9.447 2.517 -9.474 415 HG21 ILE 53 1HG2 ILE 53 -8.728 5.665 -9.238 416 HG22 ILE 53 2HG2 ILE 53 -7.516 4.382 -9.261 417 HG23 ILE 53 3HG2 ILE 53 -7.618 5.476 -7.880 418 HD11 ILE 53 3HD1 ILE 53 -11.932 3.453 -8.055 419 HD12 ILE 53 1HD1 ILE 53 -11.055 1.962 -7.709 420 HD13 ILE 53 2HD1 ILE 53 -11.829 2.185 -9.276 421 H MET 54 H MET 54 -5.948 2.624 -7.257 422 HA MET 54 HA MET 54 -5.144 4.025 -4.891 423 HB2 MET 54 2HB MET 54 -3.913 2.093 -6.110 424 HB3 MET 54 1HB MET 54 -3.304 3.341 -7.176 425 HG2 MET 54 2HG MET 54 -2.000 4.291 -5.586 426 HG3 MET 54 1HG MET 54 -3.043 3.805 -4.263 427 HE1 MET 54 3HE MET 54 -0.788 1.428 -2.595 428 HE2 MET 54 1HE MET 54 -2.449 2.018 -2.639 429 HE3 MET 54 2HE MET 54 -1.105 3.163 -2.659 430 H LYS 55 H LYS 55 -4.447 6.125 -4.698 431 HA LYS 55 HA LYS 55 -4.223 7.726 -7.141 432 HB2 LYS 55 2HB LYS 55 -6.017 8.345 -4.790 433 HB3 LYS 55 1HB LYS 55 -5.562 9.538 -5.997 434 HG2 LYS 55 2HG LYS 55 -6.950 6.963 -6.680 435 HG3 LYS 55 1HG LYS 55 -7.808 8.456 -6.303 436 HD2 LYS 55 2HD LYS 55 -5.754 8.187 -8.498 437 HD3 LYS 55 1HD LYS 55 -7.496 8.038 -8.744 438 HE2 LYS 55 2HE LYS 55 -7.804 10.317 -7.902 439 HE3 LYS 55 1HE LYS 55 -6.064 10.462 -7.660 440 HZ1 LYS 55 3HZ LYS 55 -5.733 10.216 -10.032 441 HZ2 LYS 55 1HZ LYS 55 -6.793 11.503 -9.724 442 HZ3 LYS 55 2HZ LYS 55 -7.403 10.024 -10.278 443 H GLY 56 H GLY 56 -3.622 10.110 -6.360 444 HA2 GLY 56 2HA GLY 56 -1.034 9.829 -5.197 445 HA3 GLY 56 1HA GLY 56 -1.804 11.335 -5.675 446 H ASN 57 H ASN 57 -4.051 10.127 -3.765 447 HA ASN 57 HA ASN 57 -3.140 11.501 -1.407 448 HB2 ASN 57 2HB ASN 57 -5.410 10.523 -0.513 449 HB3 ASN 57 1HB ASN 57 -5.407 11.852 -1.664 450 HD21 ASN 57 1HD2 ASN 57 -6.075 8.480 -1.171 451 HD22 ASN 57 2HD2 ASN 57 -6.946 8.239 -2.656 452 H GLU 58 H GLU 58 -3.010 8.305 -2.595 453 HA GLU 58 HA GLU 58 -2.400 7.252 0.087 454 HB2 GLU 58 2HB GLU 58 -2.694 5.514 -2.332 455 HB3 GLU 58 1HB GLU 58 -2.943 5.103 -0.642 456 HG2 GLU 58 2HG GLU 58 -4.719 6.879 -2.272 457 HG3 GLU 58 1HG GLU 58 -5.006 5.171 -1.952 458 H ILE 59 H ILE 59 -1.360 7.242 -3.249 459 HA ILE 59 HA ILE 59 0.658 7.213 -4.224 460 HB ILE 59 HB ILE 59 1.924 7.626 -1.506 461 HG12 ILE 59 2HG1 ILE 59 0.794 9.752 -3.337 462 HG13 ILE 59 1HG1 ILE 59 0.072 9.241 -1.815 463 HG21 ILE 59 1HG2 ILE 59 2.739 8.534 -4.257 464 HG22 ILE 59 2HG2 ILE 59 3.458 7.202 -3.353 465 HG23 ILE 59 3HG2 ILE 59 3.611 8.856 -2.760 466 HD11 ILE 59 3HD1 ILE 59 1.301 11.329 -1.582 467 HD12 ILE 59 1HD1 ILE 59 2.774 10.533 -2.134 468 HD13 ILE 59 2HD1 ILE 59 2.027 10.049 -0.611 469 H PHE 60 H PHE 60 2.898 6.007 -4.051 470 HA PHE 60 HA PHE 60 2.635 3.260 -3.737 471 HB2 PHE 60 2HB PHE 60 4.445 4.187 -5.015 472 HB3 PHE 60 1HB PHE 60 5.037 5.097 -3.636 473 HD1 PHE 60 2HD PHE 60 4.433 1.593 -4.727 474 HD2 PHE 60 1HD PHE 60 6.843 4.264 -2.452 475 HE1 PHE 60 2HE PHE 60 5.964 -0.253 -4.198 476 HE2 PHE 60 1HE PHE 60 8.382 2.416 -1.913 477 HZ PHE 60 HZ PHE 60 8.041 0.236 -2.826 478 H ARG 61 H ARG 61 4.482 5.415 -1.600 479 HA ARG 61 HA ARG 61 4.776 5.557 0.632 480 HB2 ARG 61 2HB ARG 61 2.294 5.990 0.367 481 HB3 ARG 61 1HB ARG 61 2.035 4.329 0.889 482 HG2 ARG 61 2HG ARG 61 1.789 5.951 2.719 483 HG3 ARG 61 1HG ARG 61 3.086 4.789 3.015 484 HD2 ARG 61 2HD ARG 61 4.666 6.512 2.055 485 HD3 ARG 61 1HD ARG 61 3.327 7.656 2.135 486 HE ARG 61 HE ARG 61 3.683 6.429 4.651 487 HH11 ARG 61 1HH1 ARG 61 5.145 8.790 2.518 488 HH12 ARG 61 2HH1 ARG 61 5.975 9.625 3.802 489 HH21 ARG 61 1HH2 ARG 61 4.747 7.514 6.335 490 HH22 ARG 61 2HH2 ARG 61 5.754 8.889 5.983 491 H LEU 62 H LEU 62 5.279 2.814 -0.724 492 HA LEU 62 HA LEU 62 5.011 1.055 1.549 493 HB2 LEU 62 2HB LEU 62 4.733 0.468 -0.976 494 HB3 LEU 62 1HB LEU 62 6.481 0.393 -0.980 495 HG LEU 62 HG LEU 62 5.027 -1.768 -0.643 496 HD11 LEU 62 1HD1 LEU 62 7.496 -1.164 0.969 497 HD12 LEU 62 2HD1 LEU 62 7.432 -1.796 -0.677 498 HD13 LEU 62 3HD1 LEU 62 6.846 -2.776 0.669 499 HD21 LEU 62 3HD2 LEU 62 3.746 -0.930 1.250 500 HD22 LEU 62 1HD2 LEU 62 5.231 -0.718 2.175 501 HD23 LEU 62 2HD2 LEU 62 4.707 -2.337 1.710 502 H ASP 63 H ASP 63 6.953 -0.207 2.136 503 HA ASP 63 HA ASP 63 8.651 1.337 3.606 504 HB2 ASP 63 2HB ASP 63 8.152 -1.230 3.601 505 HB3 ASP 63 1HB ASP 63 9.599 -1.317 2.604 506 H GLU 64 H GLU 64 9.175 0.188 0.328 507 HA GLU 64 HA GLU 64 11.918 0.646 0.115 508 HB2 GLU 64 2HB GLU 64 9.731 0.729 -1.957 509 HB3 GLU 64 1HB GLU 64 11.439 0.860 -2.357 510 HG2 GLU 64 2HG GLU 64 10.195 -1.464 -0.904 511 HG3 GLU 64 1HG GLU 64 10.521 -1.416 -2.636 512 H ALA 65 H ALA 65 9.303 2.907 0.179 513 HA ALA 65 HA ALA 65 10.897 5.053 -0.975 514 HB1 ALA 65 1HB ALA 65 8.914 6.422 -0.684 515 HB2 ALA 65 2HB ALA 65 8.137 5.134 0.236 516 HB3 ALA 65 3HB ALA 65 8.497 4.901 -1.476 517 H LEU 66 H LEU 66 10.289 3.694 2.103 518 HA LEU 66 HA LEU 66 10.970 6.194 3.469 519 HB2 LEU 66 2HB LEU 66 9.769 3.607 4.449 520 HB3 LEU 66 1HB LEU 66 10.294 4.883 5.517 521 HG LEU 66 HG LEU 66 8.653 6.397 4.259 522 HD11 LEU 66 1HD1 LEU 66 8.277 4.949 2.335 523 HD12 LEU 66 2HD1 LEU 66 6.769 5.268 3.194 524 HD13 LEU 66 3HD1 LEU 66 7.585 3.716 3.390 525 HD21 LEU 66 3HD2 LEU 66 8.280 5.635 6.530 526 HD22 LEU 66 1HD2 LEU 66 7.626 4.111 5.929 527 HD23 LEU 66 2HD2 LEU 66 6.769 5.620 5.622 528 H ARG 67 H ARG 67 11.686 2.712 3.824 529 HA ARG 67 HA ARG 67 13.508 1.623 4.676 530 HB2 ARG 67 2HB ARG 67 14.700 3.534 2.675 531 HB3 ARG 67 1HB ARG 67 15.639 2.268 3.451 532 HG2 ARG 67 2HG ARG 67 14.167 0.574 2.501 533 HG3 ARG 67 1HG ARG 67 13.200 1.840 1.735 534 HD2 ARG 67 2HD ARG 67 15.051 2.522 0.382 535 HD3 ARG 67 1HD ARG 67 16.144 1.444 1.245 536 HE ARG 67 HE ARG 67 14.004 -0.008 0.039 537 HH11 ARG 67 1HH1 ARG 67 16.988 1.664 -0.702 538 HH12 ARG 67 2HH1 ARG 67 17.395 0.630 -2.037 539 HH21 ARG 67 1HH2 ARG 67 14.491 -1.334 -1.764 540 HH22 ARG 67 2HH2 ARG 67 15.960 -1.060 -2.659 541 H LYS 68 H LYS 68 12.760 3.559 6.530 542 HA LYS 68 HA LYS 68 15.196 5.041 7.185 543 HB2 LYS 68 2HB LYS 68 13.179 6.369 7.154 544 HB3 LYS 68 1HB LYS 68 12.386 5.262 8.266 545 HG2 LYS 68 2HG LYS 68 13.999 5.870 10.008 546 HG3 LYS 68 1HG LYS 68 14.764 7.002 8.892 547 HD2 LYS 68 2HD LYS 68 11.861 7.147 9.692 548 HD3 LYS 68 1HD LYS 68 13.147 8.025 10.523 549 HE2 LYS 68 2HE LYS 68 13.718 9.157 8.426 550 HE3 LYS 68 1HE LYS 68 12.425 8.281 7.606 551 HZ1 LYS 68 3HZ LYS 68 11.825 10.570 8.288 552 HZ2 LYS 68 1HZ LYS 68 12.001 10.107 9.910 553 HZ3 LYS 68 2HZ LYS 68 10.804 9.386 8.944 554 H GLY 69 H GLY 69 16.595 3.857 8.306 555 HA2 GLY 69 2HA GLY 69 17.268 3.359 10.545 556 HA3 GLY 69 1HA GLY 69 15.626 2.840 10.888 557 H HIS 70 H HIS 70 17.353 1.211 11.785 558 HA HIS 70 HA HIS 70 18.430 -0.734 10.044 559 HB2 HIS 70 2HB HIS 70 18.814 -2.066 12.036 560 HB3 HIS 70 1HB HIS 70 19.180 -0.385 12.397 561 HD1 HIS 70 1HD HIS 70 17.623 -3.177 13.882 562 HD2 HIS 70 2HD HIS 70 16.661 0.866 13.649 563 HE1 HIS 70 1HE HIS 70 15.926 -2.774 15.690 564 HE2 HIS 70 2HE HIS 70 15.497 -0.290 15.651 565 H SER 71 H SER 71 17.604 -2.573 9.190 566 HA SER 71 HA SER 71 14.768 -3.138 9.762 567 HB2 SER 71 2HB SER 71 16.373 -3.986 7.341 568 HB3 SER 71 1HB SER 71 14.626 -4.111 7.556 569 HG SER 71 HG SER 71 15.643 -1.571 7.884 570 H GLU 72 H GLU 72 14.361 -4.889 10.942 571 HA GLU 72 HA GLU 72 15.637 -7.394 10.521 572 HB2 GLU 72 2HB GLU 72 16.681 -7.614 12.750 573 HB3 GLU 72 1HB GLU 72 17.446 -6.358 11.780 574 HG2 GLU 72 2HG GLU 72 16.183 -4.655 12.987 575 HG3 GLU 72 1HG GLU 72 15.419 -5.913 13.958 576 H GLY 73 H GLY 73 14.858 -9.024 12.160 577 HA2 GLY 73 2HA GLY 73 12.831 -8.492 14.004 578 HA3 GLY 73 1HA GLY 73 12.065 -8.830 12.459 579 H GLY 74 H GLY 74 11.121 -10.741 13.154 580 HA2 GLY 74 2HA GLY 74 11.575 -13.124 12.697 581 HA3 GLY 74 1HA GLY 74 13.036 -12.935 13.658 Start of MODEL 4 1 H1 VAL 1 1HT VAL 1 8.553 -2.922 4.786 2 H2 VAL 1 2HT VAL 1 10.043 -2.282 5.285 3 H3 VAL 1 3HT VAL 1 9.076 -1.419 4.185 4 HA VAL 1 HA VAL 1 8.989 -0.496 6.432 5 HB VAL 1 HB VAL 1 7.106 -0.210 4.874 6 HG11 VAL 1 2HG1 VAL 1 5.122 -1.630 5.039 7 HG12 VAL 1 3HG1 VAL 1 5.973 -2.681 6.170 8 HG13 VAL 1 1HG1 VAL 1 6.538 -2.536 4.505 9 HG21 VAL 1 1HG2 VAL 1 6.973 0.833 7.063 10 HG22 VAL 1 2HG2 VAL 1 6.245 -0.625 7.736 11 HG23 VAL 1 3HG2 VAL 1 5.373 0.320 6.531 12 H ASP 2 H ASP 2 8.575 -0.701 8.573 13 HA ASP 2 HA ASP 2 8.914 -3.316 9.682 14 HB2 ASP 2 2HB ASP 2 8.824 -2.063 11.864 15 HB3 ASP 2 1HB ASP 2 10.078 -1.531 10.753 16 H MET 3 H MET 3 6.301 -1.817 8.583 17 HA MET 3 HA MET 3 4.054 -2.030 8.784 18 HB2 MET 3 2HB MET 3 4.878 -4.596 10.142 19 HB3 MET 3 1HB MET 3 3.252 -4.236 9.571 20 HG2 MET 3 2HG MET 3 5.495 -4.017 7.644 21 HG3 MET 3 1HG MET 3 4.970 -5.621 8.129 22 HE1 MET 3 3HE MET 3 2.782 -2.346 7.682 23 HE2 MET 3 1HE MET 3 2.254 -2.537 6.012 24 HE3 MET 3 2HE MET 3 3.961 -2.260 6.374 25 H SER 4 H SER 4 5.484 -0.621 10.975 26 HA SER 4 HA SER 4 3.901 -1.215 13.318 27 HB2 SER 4 2HB SER 4 5.019 0.794 14.275 28 HB3 SER 4 1HB SER 4 6.164 -0.379 13.627 29 HG SER 4 HG SER 4 6.528 0.911 11.884 30 H ASN 5 H ASN 5 3.730 0.896 10.580 31 HA ASN 5 HA ASN 5 1.784 2.651 11.842 32 HB2 ASN 5 2HB ASN 5 2.946 2.737 9.053 33 HB3 ASN 5 1HB ASN 5 1.948 3.983 9.790 34 HD21 ASN 5 1HD2 ASN 5 2.835 5.308 11.387 35 HD22 ASN 5 2HD2 ASN 5 4.544 5.422 11.633 36 H VAL 6 H VAL 6 1.562 -0.266 10.281 37 HA VAL 6 HA VAL 6 -0.634 0.421 8.519 38 HB VAL 6 HB VAL 6 0.960 -1.262 7.777 39 HG11 VAL 6 1HG1 VAL 6 1.041 -3.477 8.831 40 HG12 VAL 6 2HG1 VAL 6 -0.006 -2.886 10.122 41 HG13 VAL 6 3HG1 VAL 6 1.606 -2.199 9.905 42 HG21 VAL 6 3HG2 VAL 6 -0.611 -3.006 7.087 43 HG22 VAL 6 1HG2 VAL 6 -1.319 -1.398 6.936 44 HG23 VAL 6 2HG2 VAL 6 -1.770 -2.435 8.288 45 H VAL 7 H VAL 7 -2.764 0.016 8.834 46 HA VAL 7 HA VAL 7 -3.521 -1.246 11.388 47 HB VAL 7 HB VAL 7 -3.882 1.169 11.504 48 HG11 VAL 7 1HG1 VAL 7 -4.172 1.653 9.148 49 HG12 VAL 7 2HG1 VAL 7 -5.529 2.280 10.086 50 HG13 VAL 7 3HG1 VAL 7 -5.717 0.798 9.143 51 HG21 VAL 7 3HG2 VAL 7 -5.395 -0.264 12.735 52 HG22 VAL 7 1HG2 VAL 7 -6.451 -0.400 11.329 53 HG23 VAL 7 2HG2 VAL 7 -6.254 1.155 12.137 54 H LYS 8 H LYS 8 -4.184 -0.877 7.973 55 HA LYS 8 HA LYS 8 -6.208 -3.016 8.155 56 HB2 LYS 8 2HB LYS 8 -7.257 -0.795 7.736 57 HB3 LYS 8 1HB LYS 8 -6.280 -0.633 6.284 58 HG2 LYS 8 2HG LYS 8 -8.414 -1.310 5.577 59 HG3 LYS 8 1HG LYS 8 -7.381 -2.733 5.444 60 HD2 LYS 8 2HD LYS 8 -8.251 -3.515 7.628 61 HD3 LYS 8 1HD LYS 8 -9.341 -2.127 7.654 62 HE2 LYS 8 2HE LYS 8 -10.316 -2.909 5.519 63 HE3 LYS 8 1HE LYS 8 -9.293 -4.339 5.611 64 HZ1 LYS 8 3HZ LYS 8 -10.395 -4.898 7.720 65 HZ2 LYS 8 1HZ LYS 8 -11.471 -4.851 6.410 66 HZ3 LYS 8 2HZ LYS 8 -11.430 -3.571 7.522 67 H THR 9 H THR 9 -6.219 -4.520 6.450 68 HA THR 9 HA THR 9 -4.309 -4.123 4.277 69 HB THR 9 HB THR 9 -4.217 -6.510 6.125 70 HG1 THR 9 1HG THR 9 -2.996 -4.239 6.295 71 HG21 THR 9 3HG2 THR 9 -3.961 -7.200 3.778 72 HG22 THR 9 1HG2 THR 9 -2.449 -7.371 4.672 73 HG23 THR 9 2HG2 THR 9 -2.676 -6.008 3.577 74 H TYR 10 H TYR 10 -5.097 -4.777 2.400 75 HA TYR 10 HA TYR 10 -7.186 -6.864 2.364 76 HB2 TYR 10 2HB TYR 10 -6.789 -4.838 0.160 77 HB3 TYR 10 1HB TYR 10 -8.191 -5.848 0.469 78 HD1 TYR 10 2HD TYR 10 -9.801 -5.217 2.242 79 HD2 TYR 10 1HD TYR 10 -6.506 -2.734 1.232 80 HE1 TYR 10 2HE TYR 10 -10.869 -3.327 3.404 81 HE2 TYR 10 1HE TYR 10 -7.554 -0.842 2.376 82 HH TYR 10 HH TYR 10 -9.703 -0.099 3.098 83 H ASP 11 H ASP 11 -6.731 -8.639 1.054 84 HA ASP 11 HA ASP 11 -4.163 -8.610 -0.337 85 HB2 ASP 11 2HB ASP 11 -5.014 -10.588 1.111 86 HB3 ASP 11 1HB ASP 11 -6.029 -10.971 -0.273 87 H LEU 12 H LEU 12 -3.968 -8.505 -2.487 88 HA LEU 12 HA LEU 12 -6.389 -7.655 -3.854 89 HB2 LEU 12 2HB LEU 12 -3.470 -7.239 -4.281 90 HB3 LEU 12 1HB LEU 12 -4.556 -7.017 -5.636 91 HG LEU 12 HG LEU 12 -4.311 -4.870 -4.774 92 HD11 LEU 12 1HD1 LEU 12 -6.749 -5.957 -3.383 93 HD12 LEU 12 2HD1 LEU 12 -6.664 -5.444 -5.067 94 HD13 LEU 12 3HD1 LEU 12 -6.438 -4.267 -3.774 95 HD21 LEU 12 3HD2 LEU 12 -4.423 -4.314 -2.391 96 HD22 LEU 12 1HD2 LEU 12 -3.107 -5.431 -2.755 97 HD23 LEU 12 2HD2 LEU 12 -4.591 -6.029 -2.010 98 H GLN 13 H GLN 13 -7.261 -8.528 -5.608 99 HA GLN 13 HA GLN 13 -6.680 -11.158 -6.466 100 HB2 GLN 13 2HB GLN 13 -8.199 -8.911 -7.805 101 HB3 GLN 13 1HB GLN 13 -8.159 -10.553 -8.410 102 HG2 GLN 13 2HG GLN 13 -9.198 -9.776 -5.697 103 HG3 GLN 13 1HG GLN 13 -10.206 -9.956 -7.128 104 HE21 GLN 13 1HE2 GLN 13 -11.412 -11.591 -6.237 105 HE22 GLN 13 2HE2 GLN 13 -10.791 -13.184 -5.990 106 H ASP 14 H ASP 14 -5.330 -8.152 -7.130 107 HA ASP 14 HA ASP 14 -4.362 -8.473 -9.756 108 HB2 ASP 14 2HB ASP 14 -4.560 -6.288 -8.854 109 HB3 ASP 14 1HB ASP 14 -3.600 -6.705 -7.444 110 H GLY 15 H GLY 15 -3.435 -9.864 -6.816 111 HA2 GLY 15 2HA GLY 15 -1.815 -11.634 -6.755 112 HA3 GLY 15 1HA GLY 15 -0.928 -10.812 -8.036 113 H SER 16 H SER 16 -2.013 -8.552 -5.931 114 HA SER 16 HA SER 16 0.536 -8.522 -4.481 115 HB2 SER 16 2HB SER 16 -0.025 -6.004 -4.318 116 HB3 SER 16 1HB SER 16 0.558 -6.624 -5.854 117 HG SER 16 HG SER 16 -1.326 -6.241 -6.754 118 H LYS 17 H LYS 17 0.105 -6.727 -2.579 119 HA LYS 17 HA LYS 17 -2.463 -7.180 -1.292 120 HB2 LYS 17 2HB LYS 17 -0.865 -8.892 -0.380 121 HB3 LYS 17 1HB LYS 17 0.162 -7.575 0.171 122 HG2 LYS 17 2HG LYS 17 -1.762 -6.752 1.532 123 HG3 LYS 17 1HG LYS 17 -2.622 -8.227 1.097 124 HD2 LYS 17 2HD LYS 17 0.065 -8.186 2.457 125 HD3 LYS 17 1HD LYS 17 -1.469 -8.280 3.321 126 HE2 LYS 17 2HE LYS 17 -1.991 -10.364 2.181 127 HE3 LYS 17 1HE LYS 17 -0.481 -10.262 1.275 128 HZ1 LYS 17 3HZ LYS 17 -0.307 -11.749 3.182 129 HZ2 LYS 17 1HZ LYS 17 -0.698 -10.476 4.230 130 HZ3 LYS 17 2HZ LYS 17 0.740 -10.428 3.340 131 H VAL 18 H VAL 18 -3.000 -5.454 0.155 132 HA VAL 18 HA VAL 18 -1.199 -3.145 -0.145 133 HB VAL 18 HB VAL 18 -3.277 -2.872 -1.434 134 HG11 VAL 18 1HG1 VAL 18 -5.415 -2.602 -0.332 135 HG12 VAL 18 2HG1 VAL 18 -4.677 -2.982 1.223 136 HG13 VAL 18 3HG1 VAL 18 -4.760 -4.212 -0.037 137 HG21 VAL 18 3HG2 VAL 18 -3.922 -0.676 -0.535 138 HG22 VAL 18 1HG2 VAL 18 -2.171 -0.903 -0.600 139 HG23 VAL 18 2HG2 VAL 18 -3.027 -1.041 0.940 140 H HIS 19 H HIS 19 -0.511 -2.175 1.633 141 HA HIS 19 HA HIS 19 -1.744 -2.982 4.187 142 HB2 HIS 19 2HB HIS 19 0.994 -1.754 3.855 143 HB3 HIS 19 1HB HIS 19 0.343 -2.559 5.274 144 HD1 HIS 19 1HD HIS 19 -0.695 -5.123 3.668 145 HD2 HIS 19 2HD HIS 19 3.101 -3.444 3.507 146 HE1 HIS 19 1HE HIS 19 0.804 -6.945 2.786 147 HE2 HIS 19 2HE HIS 19 3.135 -5.968 2.896 148 H VAL 20 H VAL 20 -3.232 -1.489 4.631 149 HA VAL 20 HA VAL 20 -2.771 1.284 3.879 150 HB VAL 20 HB VAL 20 -5.212 0.405 5.377 151 HG11 VAL 20 1HG1 VAL 20 -6.276 2.064 3.917 152 HG12 VAL 20 2HG1 VAL 20 -4.732 2.320 3.099 153 HG13 VAL 20 3HG1 VAL 20 -4.912 2.756 4.800 154 HG21 VAL 20 3HG2 VAL 20 -6.268 -0.337 3.292 155 HG22 VAL 20 1HG2 VAL 20 -4.892 -1.356 3.711 156 HG23 VAL 20 2HG2 VAL 20 -4.735 -0.139 2.444 157 H PHE 21 H PHE 21 -1.998 2.721 5.213 158 HA PHE 21 HA PHE 21 -1.385 1.820 7.914 159 HB2 PHE 21 2HB PHE 21 -0.345 4.250 6.454 160 HB3 PHE 21 1HB PHE 21 0.303 3.543 7.925 161 HD1 PHE 21 2HD PHE 21 1.109 1.085 7.748 162 HD2 PHE 21 1HD PHE 21 0.601 3.666 4.392 163 HE1 PHE 21 2HE PHE 21 2.596 -0.343 6.419 164 HE2 PHE 21 1HE PHE 21 2.086 2.231 3.069 165 HZ PHE 21 HZ PHE 21 3.161 0.333 4.048 166 H LYS 22 H LYS 22 -1.305 3.586 9.601 167 HA LYS 22 HA LYS 22 -3.900 4.296 10.272 168 HB2 LYS 22 2HB LYS 22 -1.285 5.421 11.277 169 HB3 LYS 22 1HB LYS 22 -2.841 5.658 12.061 170 HG2 LYS 22 2HG LYS 22 -3.010 3.402 12.661 171 HG3 LYS 22 1HG LYS 22 -1.747 2.919 11.528 172 HD2 LYS 22 2HD LYS 22 -0.090 4.130 12.871 173 HD3 LYS 22 1HD LYS 22 -1.355 4.597 14.008 174 HE2 LYS 22 2HE LYS 22 -0.753 1.730 13.352 175 HE3 LYS 22 1HE LYS 22 0.092 2.598 14.632 176 HZ1 LYS 22 3HZ LYS 22 -2.857 2.243 14.489 177 HZ2 LYS 22 1HZ LYS 22 -1.984 2.967 15.753 178 HZ3 LYS 22 2HZ LYS 22 -1.813 1.308 15.443 179 H ASP 23 H ASP 23 -1.586 6.080 8.389 180 HA ASP 23 HA ASP 23 -2.728 8.663 8.776 181 HB2 ASP 23 2HB ASP 23 -0.398 8.333 7.996 182 HB3 ASP 23 1HB ASP 23 -1.013 7.682 6.480 183 H GLY 24 H GLY 24 -3.531 5.958 6.809 184 HA2 GLY 24 2HA GLY 24 -5.698 5.871 5.741 185 HA3 GLY 24 1HA GLY 24 -5.541 7.587 5.387 186 H LYS 25 H LYS 25 -2.574 6.519 4.867 187 HA LYS 25 HA LYS 25 -2.973 6.254 2.002 188 HB2 LYS 25 2HB LYS 25 -0.382 6.337 3.563 189 HB3 LYS 25 1HB LYS 25 -0.572 6.529 1.819 190 HG2 LYS 25 2HG LYS 25 -1.713 8.399 3.889 191 HG3 LYS 25 1HG LYS 25 -0.210 8.664 3.005 192 HD2 LYS 25 2HD LYS 25 -1.296 9.040 1.007 193 HD3 LYS 25 1HD LYS 25 -2.729 8.133 1.494 194 HE2 LYS 25 2HE LYS 25 -3.073 10.597 1.368 195 HE3 LYS 25 1HE LYS 25 -3.441 9.894 2.940 196 HZ1 LYS 25 3HZ LYS 25 -2.165 12.011 3.003 197 HZ2 LYS 25 1HZ LYS 25 -0.854 11.199 2.298 198 HZ3 LYS 25 2HZ LYS 25 -1.422 10.727 3.828 199 H MET 26 H MET 26 -1.533 4.570 0.876 200 HA MET 26 HA MET 26 -1.831 2.030 2.344 201 HB2 MET 26 2HB MET 26 -2.548 2.339 -0.567 202 HB3 MET 26 1HB MET 26 -2.919 0.996 0.507 203 HG2 MET 26 2HG MET 26 -4.494 2.356 1.719 204 HG3 MET 26 1HG MET 26 -4.065 3.765 0.749 205 HE1 MET 26 3HE MET 26 -6.979 3.277 0.988 206 HE2 MET 26 1HE MET 26 -7.558 3.239 -0.679 207 HE3 MET 26 2HE MET 26 -6.326 4.409 -0.201 208 H GLY 27 H GLY 27 -0.035 0.895 2.320 209 HA2 GLY 27 2HA GLY 27 2.076 1.614 0.449 210 HA3 GLY 27 1HA GLY 27 2.226 0.549 1.831 211 H MET 28 H MET 28 2.721 0.454 -1.219 212 HA MET 28 HA MET 28 1.096 -1.859 -1.899 213 HB2 MET 28 2HB MET 28 2.072 0.319 -3.357 214 HB3 MET 28 1HB MET 28 2.988 -1.071 -3.933 215 HG2 MET 28 2HG MET 28 0.972 -0.674 -5.253 216 HG3 MET 28 1HG MET 28 0.941 -2.240 -4.451 217 HE1 MET 28 3HE MET 28 -0.456 -2.731 -2.236 218 HE2 MET 28 1HE MET 28 -1.337 -3.044 -3.735 219 HE3 MET 28 2HE MET 28 -2.143 -2.231 -2.386 220 H GLU 29 H GLU 29 1.808 -3.715 -1.234 221 HA GLU 29 HA GLU 29 4.465 -4.594 -2.029 222 HB2 GLU 29 2HB GLU 29 4.970 -3.969 0.234 223 HB3 GLU 29 1HB GLU 29 3.467 -4.645 0.833 224 HG2 GLU 29 2HG GLU 29 4.427 -6.884 0.024 225 HG3 GLU 29 1HG GLU 29 5.967 -6.026 -0.048 226 H ASN 30 H ASN 30 3.918 -6.282 -3.266 227 HA ASN 30 HA ASN 30 1.625 -7.822 -3.034 228 HB2 ASN 30 2HB ASN 30 2.773 -9.541 -4.329 229 HB3 ASN 30 1HB ASN 30 3.066 -7.954 -4.995 230 HD21 ASN 30 1HD2 ASN 30 5.082 -7.443 -2.770 231 HD22 ASN 30 2HD2 ASN 30 6.488 -8.294 -3.304 232 H LYS 31 H LYS 31 1.274 -9.889 -2.137 233 HA LYS 31 HA LYS 31 1.791 -9.900 0.596 234 HB2 LYS 31 2HB LYS 31 0.826 -12.202 0.601 235 HB3 LYS 31 1HB LYS 31 -0.160 -10.986 -0.192 236 HG2 LYS 31 2HG LYS 31 1.671 -12.754 -1.766 237 HG3 LYS 31 1HG LYS 31 0.068 -13.293 -1.276 238 HD2 LYS 31 2HD LYS 31 -0.482 -10.833 -2.301 239 HD3 LYS 31 1HD LYS 31 0.870 -11.350 -3.318 240 HE2 LYS 31 2HE LYS 31 -1.297 -11.987 -4.279 241 HE3 LYS 31 1HE LYS 31 -0.300 -13.390 -3.899 242 HZ1 LYS 31 3HZ LYS 31 -2.578 -12.356 -2.279 243 HZ2 LYS 31 1HZ LYS 31 -1.584 -13.665 -1.849 244 HZ3 LYS 31 2HZ LYS 31 -2.564 -13.765 -3.222 245 H PHE 32 H PHE 32 3.819 -10.948 -1.843 246 HA PHE 32 HA PHE 32 5.283 -12.926 -0.397 247 HB2 PHE 32 2HB PHE 32 6.099 -11.278 -2.800 248 HB3 PHE 32 1HB PHE 32 6.834 -12.794 -2.280 249 HD1 PHE 32 2HD PHE 32 5.521 -14.887 -2.401 250 HD2 PHE 32 1HD PHE 32 4.105 -11.250 -4.085 251 HE1 PHE 32 2HE PHE 32 3.953 -16.158 -3.798 252 HE2 PHE 32 1HE PHE 32 2.531 -12.515 -5.493 253 HZ PHE 32 HZ PHE 32 2.265 -14.876 -5.203 254 H GLY 33 H GLY 33 5.048 -9.581 -0.079 255 HA2 GLY 33 2HA GLY 33 6.145 -8.120 1.309 256 HA3 GLY 33 1HA GLY 33 7.097 -9.485 1.900 257 H LYS 34 H LYS 34 6.875 -8.510 -1.423 258 HA LYS 34 HA LYS 34 9.723 -7.794 -1.378 259 HB2 LYS 34 2HB LYS 34 8.777 -9.659 -2.906 260 HB3 LYS 34 1HB LYS 34 8.077 -8.341 -3.833 261 HG2 LYS 34 2HG LYS 34 10.155 -9.097 -4.811 262 HG3 LYS 34 1HG LYS 34 10.280 -7.427 -4.253 263 HD2 LYS 34 2HD LYS 34 12.299 -8.602 -3.667 264 HD3 LYS 34 1HD LYS 34 11.397 -8.255 -2.193 265 HE2 LYS 34 2HE LYS 34 10.994 -10.875 -3.561 266 HE3 LYS 34 1HE LYS 34 12.457 -10.622 -2.611 267 HZ1 LYS 34 3HZ LYS 34 10.689 -11.633 -1.306 268 HZ2 LYS 34 1HZ LYS 34 9.680 -10.311 -1.605 269 HZ3 LYS 34 2HZ LYS 34 11.094 -10.103 -0.694 270 H SER 35 H SER 35 10.365 -5.850 -2.356 271 HA SER 35 HA SER 35 8.614 -3.683 -1.946 272 HB2 SER 35 2HB SER 35 11.055 -3.472 -1.745 273 HB3 SER 35 1HB SER 35 11.225 -3.748 -3.478 274 HG SER 35 HG SER 35 11.109 -1.463 -2.489 275 H MET 36 H MET 36 7.024 -3.024 -3.171 276 HA MET 36 HA MET 36 7.150 -3.492 -6.071 277 HB2 MET 36 2HB MET 36 5.719 -5.192 -4.937 278 HB3 MET 36 1HB MET 36 4.723 -3.893 -4.294 279 HG2 MET 36 2HG MET 36 4.180 -3.224 -6.612 280 HG3 MET 36 1HG MET 36 5.098 -4.612 -7.186 281 HE1 MET 36 3HE MET 36 2.853 -4.359 -4.015 282 HE2 MET 36 1HE MET 36 1.313 -4.990 -4.596 283 HE3 MET 36 2HE MET 36 1.909 -3.441 -5.191 284 H ASN 37 H ASN 37 6.240 -1.947 -7.337 285 HA ASN 37 HA ASN 37 5.288 0.469 -5.963 286 HB2 ASN 37 2HB ASN 37 6.395 1.705 -7.943 287 HB3 ASN 37 1HB ASN 37 7.443 1.087 -6.668 288 HD21 ASN 37 1HD2 ASN 37 8.642 -0.818 -7.055 289 HD22 ASN 37 2HD2 ASN 37 8.998 -1.339 -8.664 290 H MET 38 H MET 38 3.284 0.896 -6.468 291 HA MET 38 HA MET 38 2.244 -0.046 -9.051 292 HB2 MET 38 2HB MET 38 1.142 -1.219 -7.269 293 HB3 MET 38 1HB MET 38 0.860 0.277 -6.385 294 HG2 MET 38 2HG MET 38 -0.686 1.028 -8.081 295 HG3 MET 38 1HG MET 38 -0.353 -0.401 -9.054 296 HE1 MET 38 3HE MET 38 -0.907 -2.918 -8.106 297 HE2 MET 38 1HE MET 38 -1.855 -3.209 -6.647 298 HE3 MET 38 2HE MET 38 -0.215 -2.570 -6.521 299 HA PRO 39 HA PRO 39 1.681 4.243 -10.112 300 HB2 PRO 39 2HB PRO 39 -0.181 3.710 -12.092 301 HB3 PRO 39 1HB PRO 39 1.571 3.696 -12.320 302 HG2 PRO 39 2HG PRO 39 -0.302 1.415 -11.849 303 HG3 PRO 39 1HG PRO 39 1.095 1.515 -12.939 304 HD2 PRO 39 2HD PRO 39 1.248 0.225 -10.603 305 HD3 PRO 39 1HD PRO 39 2.617 1.175 -11.220 306 H GLU 40 H GLU 40 0.409 5.649 -9.187 307 HA GLU 40 HA GLU 40 -1.826 4.985 -7.613 308 HB2 GLU 40 2HB GLU 40 -0.350 6.975 -7.339 309 HB3 GLU 40 1HB GLU 40 -1.065 7.675 -8.779 310 HG2 GLU 40 2HG GLU 40 -3.297 7.416 -7.509 311 HG3 GLU 40 1HG GLU 40 -2.275 7.253 -6.080 312 H GLY 41 H GLY 41 -3.507 4.023 -8.642 313 HA2 GLY 41 2HA GLY 41 -5.621 5.251 -9.600 314 HA3 GLY 41 1HA GLY 41 -4.635 5.235 -11.048 315 H LYS 42 H LYS 42 -3.562 2.525 -9.910 316 HA LYS 42 HA LYS 42 -5.125 0.802 -11.442 317 HB2 LYS 42 2HB LYS 42 -3.294 0.297 -9.114 318 HB3 LYS 42 1HB LYS 42 -4.194 -1.017 -9.853 319 HG2 LYS 42 2HG LYS 42 -3.104 -0.069 -12.058 320 HG3 LYS 42 1HG LYS 42 -1.913 0.556 -10.913 321 HD2 LYS 42 2HD LYS 42 -1.634 -1.711 -9.993 322 HD3 LYS 42 1HD LYS 42 -2.780 -2.321 -11.186 323 HE2 LYS 42 2HE LYS 42 -1.258 -1.488 -12.972 324 HE3 LYS 42 1HE LYS 42 -0.088 -1.075 -11.721 325 HZ1 LYS 42 3HZ LYS 42 -0.232 -3.490 -11.038 326 HZ2 LYS 42 1HZ LYS 42 0.531 -3.176 -12.522 327 HZ3 LYS 42 2HZ LYS 42 -1.060 -3.765 -12.496 328 H VAL 43 H VAL 43 -7.122 0.087 -11.201 329 HA VAL 43 HA VAL 43 -8.616 0.290 -8.800 330 HB VAL 43 HB VAL 43 -9.104 -1.458 -11.222 331 HG11 VAL 43 1HG1 VAL 43 -10.981 -0.656 -9.006 332 HG12 VAL 43 2HG1 VAL 43 -10.311 -2.266 -9.266 333 HG13 VAL 43 3HG1 VAL 43 -11.417 -1.569 -10.450 334 HG21 VAL 43 3HG2 VAL 43 -9.030 0.929 -11.754 335 HG22 VAL 43 1HG2 VAL 43 -10.236 1.244 -10.507 336 HG23 VAL 43 2HG2 VAL 43 -10.662 0.279 -11.920 337 H MET 44 H MET 44 -7.759 -0.702 -7.073 338 HA MET 44 HA MET 44 -6.591 -3.359 -7.264 339 HB2 MET 44 2HB MET 44 -7.025 -1.550 -4.883 340 HB3 MET 44 1HB MET 44 -6.095 -3.040 -4.882 341 HG2 MET 44 2HG MET 44 -4.518 -2.065 -6.456 342 HG3 MET 44 1HG MET 44 -5.455 -0.572 -6.473 343 HE1 MET 44 3HE MET 44 -5.450 1.215 -4.561 344 HE2 MET 44 1HE MET 44 -4.876 0.881 -2.927 345 HE3 MET 44 2HE MET 44 -6.276 0.018 -3.562 346 H GLU 45 H GLU 45 -8.179 -4.909 -7.495 347 HA GLU 45 HA GLU 45 -10.563 -4.685 -5.838 348 HB2 GLU 45 2HB GLU 45 -10.612 -5.354 -8.305 349 HB3 GLU 45 1HB GLU 45 -9.956 -6.901 -7.783 350 HG2 GLU 45 2HG GLU 45 -11.887 -7.317 -6.414 351 HG3 GLU 45 1HG GLU 45 -12.525 -5.713 -6.766 352 H THR 46 H THR 46 -10.564 -5.508 -3.884 353 HA THR 46 HA THR 46 -8.598 -7.258 -2.884 354 HB THR 46 HB THR 46 -9.863 -7.383 -0.868 355 HG1 THR 46 1HG THR 46 -12.002 -7.172 -0.778 356 HG21 THR 46 3HG2 THR 46 -10.345 -4.685 -2.139 357 HG22 THR 46 1HG2 THR 46 -8.876 -5.192 -1.304 358 HG23 THR 46 2HG2 THR 46 -10.388 -5.031 -0.410 359 H ARG 47 H ARG 47 -9.086 -9.448 -1.942 360 HA ARG 47 HA ARG 47 -10.250 -11.150 -3.908 361 HB2 ARG 47 2HB ARG 47 -9.308 -11.739 -1.101 362 HB3 ARG 47 1HB ARG 47 -9.772 -12.960 -2.284 363 HG2 ARG 47 2HG ARG 47 -7.980 -12.241 -3.754 364 HG3 ARG 47 1HG ARG 47 -7.536 -10.972 -2.612 365 HD2 ARG 47 2HD ARG 47 -6.035 -12.774 -2.283 366 HD3 ARG 47 1HD ARG 47 -7.144 -12.754 -0.915 367 HE ARG 47 HE ARG 47 -7.425 -14.622 -3.189 368 HH11 ARG 47 1HH1 ARG 47 -7.498 -13.914 0.249 369 HH12 ARG 47 2HH1 ARG 47 -7.855 -15.555 0.709 370 HH21 ARG 47 1HH2 ARG 47 -7.906 -16.780 -2.586 371 HH22 ARG 47 2HH2 ARG 47 -8.096 -17.185 -0.905 372 H ASP 48 H ASP 48 -11.745 -9.155 -1.894 373 HA ASP 48 HA ASP 48 -14.004 -10.919 -1.264 374 HB2 ASP 48 2HB ASP 48 -13.766 -7.996 -0.549 375 HB3 ASP 48 1HB ASP 48 -14.773 -9.222 0.212 376 H GLY 49 H GLY 49 -12.871 -8.849 -3.635 377 HA2 GLY 49 2HA GLY 49 -13.979 -8.221 -5.606 378 HA3 GLY 49 1HA GLY 49 -15.521 -8.533 -4.819 379 H THR 50 H THR 50 -13.061 -6.645 -3.270 380 HA THR 50 HA THR 50 -14.816 -4.292 -3.447 381 HB THR 50 HB THR 50 -12.565 -4.760 -1.478 382 HG1 THR 50 1HG THR 50 -14.329 -6.366 -1.417 383 HG21 THR 50 3HG2 THR 50 -13.753 -3.078 -0.144 384 HG22 THR 50 1HG2 THR 50 -14.973 -2.928 -1.410 385 HG23 THR 50 2HG2 THR 50 -13.309 -2.431 -1.724 386 H LYS 51 H LYS 51 -14.207 -2.791 -4.837 387 HA LYS 51 HA LYS 51 -11.513 -2.761 -5.846 388 HB2 LYS 51 2HB LYS 51 -14.011 -1.237 -6.520 389 HB3 LYS 51 1HB LYS 51 -12.465 -0.928 -7.283 390 HG2 LYS 51 2HG LYS 51 -12.400 -3.274 -8.042 391 HG3 LYS 51 1HG LYS 51 -13.994 -3.514 -7.328 392 HD2 LYS 51 2HD LYS 51 -14.934 -1.835 -8.821 393 HD3 LYS 51 1HD LYS 51 -13.338 -1.542 -9.518 394 HE2 LYS 51 2HE LYS 51 -13.259 -3.854 -10.309 395 HE3 LYS 51 1HE LYS 51 -14.845 -4.157 -9.599 396 HZ1 LYS 51 3HZ LYS 51 -14.315 -2.153 -11.724 397 HZ2 LYS 51 1HZ LYS 51 -15.830 -2.601 -11.109 398 HZ3 LYS 51 2HZ LYS 51 -14.910 -3.709 -12.005 399 H ILE 52 H ILE 52 -9.982 -1.733 -4.869 400 HA ILE 52 HA ILE 52 -10.533 0.780 -3.444 401 HB ILE 52 HB ILE 52 -7.936 -0.739 -3.322 402 HG12 ILE 52 2HG1 ILE 52 -9.832 -2.306 -2.757 403 HG13 ILE 52 1HG1 ILE 52 -8.650 -2.070 -1.479 404 HG21 ILE 52 1HG2 ILE 52 -8.004 1.524 -2.421 405 HG22 ILE 52 2HG2 ILE 52 -7.727 0.338 -1.146 406 HG23 ILE 52 3HG2 ILE 52 -9.323 1.064 -1.346 407 HD11 ILE 52 3HD1 ILE 52 -10.193 -0.511 -0.376 408 HD12 ILE 52 1HD1 ILE 52 -10.872 -2.129 -0.568 409 HD13 ILE 52 2HD1 ILE 52 -11.382 -0.822 -1.643 410 H ILE 53 H ILE 53 -9.883 2.633 -4.500 411 HA ILE 53 HA ILE 53 -7.900 2.286 -6.652 412 HB ILE 53 HB ILE 53 -10.015 4.442 -6.451 413 HG12 ILE 53 2HG1 ILE 53 -10.706 3.310 -8.697 414 HG13 ILE 53 1HG1 ILE 53 -9.799 1.928 -8.093 415 HG21 ILE 53 1HG2 ILE 53 -7.939 3.936 -8.589 416 HG22 ILE 53 2HG2 ILE 53 -7.996 5.306 -7.479 417 HG23 ILE 53 3HG2 ILE 53 -9.255 5.109 -8.699 418 HD11 ILE 53 3HD1 ILE 53 -12.165 3.226 -6.762 419 HD12 ILE 53 1HD1 ILE 53 -11.243 1.868 -6.117 420 HD13 ILE 53 2HD1 ILE 53 -12.153 1.683 -7.617 421 H MET 54 H MET 54 -6.027 3.328 -6.527 422 HA MET 54 HA MET 54 -5.502 5.178 -4.369 423 HB2 MET 54 2HB MET 54 -3.701 4.215 -6.611 424 HB3 MET 54 1HB MET 54 -3.198 5.051 -5.162 425 HG2 MET 54 2HG MET 54 -3.799 3.184 -3.799 426 HG3 MET 54 1HG MET 54 -4.486 2.347 -5.185 427 HE1 MET 54 3HE MET 54 -1.592 2.556 -2.877 428 HE2 MET 54 1HE MET 54 -1.036 3.921 -3.848 429 HE3 MET 54 2HE MET 54 -0.130 2.403 -3.854 430 H LYS 55 H LYS 55 -6.400 7.200 -4.806 431 HA LYS 55 HA LYS 55 -5.171 8.649 -6.981 432 HB2 LYS 55 2HB LYS 55 -7.195 7.570 -8.013 433 HB3 LYS 55 1HB LYS 55 -8.186 8.519 -6.913 434 HG2 LYS 55 2HG LYS 55 -7.335 10.577 -7.891 435 HG3 LYS 55 1HG LYS 55 -6.290 9.645 -8.966 436 HD2 LYS 55 2HD LYS 55 -8.319 8.576 -9.917 437 HD3 LYS 55 1HD LYS 55 -9.306 9.646 -8.920 438 HE2 LYS 55 2HE LYS 55 -7.319 10.535 -11.006 439 HE3 LYS 55 1HE LYS 55 -9.065 10.461 -11.230 440 HZ1 LYS 55 3HZ LYS 55 -7.687 12.150 -9.206 441 HZ2 LYS 55 1HZ LYS 55 -9.352 12.132 -9.542 442 HZ3 LYS 55 2HZ LYS 55 -8.255 12.698 -10.706 443 H GLY 56 H GLY 56 -4.295 10.072 -5.589 444 HA2 GLY 56 2HA GLY 56 -4.279 12.078 -4.425 445 HA3 GLY 56 1HA GLY 56 -6.034 12.095 -4.486 446 H ASN 57 H ASN 57 -6.720 9.820 -3.222 447 HA ASN 57 HA ASN 57 -6.313 10.491 -0.473 448 HB2 ASN 57 2HB ASN 57 -7.855 8.686 0.007 449 HB3 ASN 57 1HB ASN 57 -8.461 9.565 -1.392 450 HD21 ASN 57 1HD2 ASN 57 -7.268 6.580 -0.195 451 HD22 ASN 57 2HD2 ASN 57 -7.475 5.663 -1.645 452 H GLU 58 H GLU 58 -4.687 8.621 -2.734 453 HA GLU 58 HA GLU 58 -2.884 7.653 -0.685 454 HB2 GLU 58 2HB GLU 58 -4.584 5.820 -1.383 455 HB3 GLU 58 1HB GLU 58 -3.712 5.790 -2.905 456 HG2 GLU 58 2HG GLU 58 -2.882 4.871 -0.215 457 HG3 GLU 58 1HG GLU 58 -2.639 4.127 -1.791 458 H ILE 59 H ILE 59 -1.453 9.169 -1.395 459 HA ILE 59 HA ILE 59 -0.324 8.659 -4.038 460 HB ILE 59 HB ILE 59 -1.467 10.852 -3.884 461 HG12 ILE 59 2HG1 ILE 59 1.533 11.082 -4.076 462 HG13 ILE 59 1HG1 ILE 59 0.471 10.539 -5.367 463 HG21 ILE 59 1HG2 ILE 59 -1.179 11.310 -1.531 464 HG22 ILE 59 2HG2 ILE 59 -0.491 12.630 -2.479 465 HG23 ILE 59 3HG2 ILE 59 0.568 11.432 -1.736 466 HD11 ILE 59 3HD1 ILE 59 1.124 12.842 -5.712 467 HD12 ILE 59 1HD1 ILE 59 0.496 13.280 -4.122 468 HD13 ILE 59 2HD1 ILE 59 -0.608 12.740 -5.387 469 H PHE 60 H PHE 60 0.191 7.789 -1.084 470 HA PHE 60 HA PHE 60 2.924 8.829 -0.735 471 HB2 PHE 60 2HB PHE 60 1.350 9.187 1.138 472 HB3 PHE 60 1HB PHE 60 1.109 7.449 1.260 473 HD1 PHE 60 1HD PHE 60 3.653 10.120 1.580 474 HD2 PHE 60 2HD PHE 60 2.543 6.125 2.535 475 HE1 PHE 60 1HE PHE 60 5.551 9.970 3.137 476 HE2 PHE 60 2HE PHE 60 4.435 5.967 4.099 477 HZ PHE 60 HZ PHE 60 5.932 7.912 4.417 478 H ARG 61 H ARG 61 1.038 5.837 -0.495 479 HA ARG 61 HA ARG 61 1.516 3.692 -0.938 480 HB2 ARG 61 2HB ARG 61 3.821 4.967 -2.361 481 HB3 ARG 61 1HB ARG 61 3.686 3.214 -2.251 482 HG2 ARG 61 2HG ARG 61 1.893 3.124 -3.636 483 HG3 ARG 61 1HG ARG 61 1.287 4.703 -3.127 484 HD2 ARG 61 2HD ARG 61 3.738 4.318 -4.837 485 HD3 ARG 61 1HD ARG 61 2.123 4.600 -5.486 486 HE ARG 61 HE ARG 61 2.657 6.603 -3.625 487 HH11 ARG 61 1HH1 ARG 61 3.813 5.531 -6.746 488 HH12 ARG 61 2HH1 ARG 61 4.305 7.119 -7.253 489 HH21 ARG 61 1HH2 ARG 61 3.282 8.700 -4.286 490 HH22 ARG 61 2HH2 ARG 61 4.019 8.921 -5.847 491 H LEU 62 H LEU 62 4.851 3.362 -0.894 492 HA LEU 62 HA LEU 62 4.485 2.117 1.707 493 HB2 LEU 62 2HB LEU 62 5.629 1.284 -0.750 494 HB3 LEU 62 1HB LEU 62 6.912 1.334 0.443 495 HG LEU 62 HG LEU 62 4.447 -0.372 0.404 496 HD11 LEU 62 1HD1 LEU 62 6.464 -1.243 -0.622 497 HD12 LEU 62 2HD1 LEU 62 6.096 -2.130 0.858 498 HD13 LEU 62 3HD1 LEU 62 7.377 -0.912 0.852 499 HD21 LEU 62 3HD2 LEU 62 6.166 0.180 2.824 500 HD22 LEU 62 1HD2 LEU 62 4.899 -1.043 2.710 501 HD23 LEU 62 2HD2 LEU 62 4.485 0.669 2.619 502 H ASP 63 H ASP 63 7.549 1.843 1.398 503 HA ASP 63 HA ASP 63 8.059 4.172 3.121 504 HB2 ASP 63 2HB ASP 63 9.347 2.771 4.614 505 HB3 ASP 63 1HB ASP 63 7.741 2.084 4.416 506 H GLU 64 H GLU 64 9.415 1.971 0.746 507 HA GLU 64 HA GLU 64 12.115 2.413 1.147 508 HB2 GLU 64 2HB GLU 64 10.941 0.740 -0.399 509 HB3 GLU 64 1HB GLU 64 10.952 2.023 -1.597 510 HG2 GLU 64 2HG GLU 64 13.367 2.132 -1.511 511 HG3 GLU 64 1HG GLU 64 13.398 0.918 -0.234 512 H ALA 65 H ALA 65 9.793 4.463 -0.405 513 HA ALA 65 HA ALA 65 11.484 6.084 -1.923 514 HB1 ALA 65 1HB ALA 65 8.996 6.078 -2.023 515 HB2 ALA 65 2HB ALA 65 9.705 7.689 -1.934 516 HB3 ALA 65 3HB ALA 65 8.982 6.966 -0.496 517 H LEU 66 H LEU 66 10.549 6.219 1.459 518 HA LEU 66 HA LEU 66 12.206 8.610 1.858 519 HB2 LEU 66 2HB LEU 66 10.016 7.389 3.533 520 HB3 LEU 66 1HB LEU 66 10.964 8.773 4.017 521 HG LEU 66 HG LEU 66 9.104 8.646 1.650 522 HD11 LEU 66 1HD1 LEU 66 7.941 8.747 3.784 523 HD12 LEU 66 2HD1 LEU 66 7.780 10.269 2.908 524 HD13 LEU 66 3HD1 LEU 66 8.907 10.142 4.257 525 HD21 LEU 66 3HD2 LEU 66 11.022 10.070 1.170 526 HD22 LEU 66 1HD2 LEU 66 10.769 10.940 2.684 527 HD23 LEU 66 2HD2 LEU 66 9.566 11.037 1.396 528 H ARG 67 H ARG 67 11.924 5.277 2.619 529 HA ARG 67 HA ARG 67 13.277 5.056 5.027 530 HB2 ARG 67 2HB ARG 67 12.115 3.182 4.204 531 HB3 ARG 67 1HB ARG 67 12.963 3.223 2.671 532 HG2 ARG 67 2HG ARG 67 14.972 2.397 3.697 533 HG3 ARG 67 1HG ARG 67 14.238 2.506 5.301 534 HD2 ARG 67 2HD ARG 67 12.825 0.723 4.925 535 HD3 ARG 67 1HD ARG 67 12.892 0.907 3.176 536 HE ARG 67 HE ARG 67 15.282 -0.012 4.607 537 HH11 ARG 67 1HH1 ARG 67 12.606 -0.637 2.448 538 HH12 ARG 67 2HH1 ARG 67 13.292 -2.087 1.776 539 HH21 ARG 67 1HH2 ARG 67 16.201 -1.950 3.757 540 HH22 ARG 67 2HH2 ARG 67 15.324 -2.852 2.552 541 H LYS 68 H LYS 68 14.636 4.783 1.751 542 HA LYS 68 HA LYS 68 16.757 4.877 0.947 543 HB2 LYS 68 2HB LYS 68 17.246 6.646 3.358 544 HB3 LYS 68 1HB LYS 68 18.299 6.508 1.956 545 HG2 LYS 68 2HG LYS 68 15.470 7.540 1.916 546 HG3 LYS 68 1HG LYS 68 16.927 8.533 1.894 547 HD2 LYS 68 2HD LYS 68 17.595 7.453 -0.220 548 HD3 LYS 68 1HD LYS 68 16.091 6.531 -0.203 549 HE2 LYS 68 2HE LYS 68 15.888 8.464 -1.662 550 HE3 LYS 68 1HE LYS 68 14.814 8.621 -0.274 551 HZ1 LYS 68 3HZ LYS 68 16.056 10.675 -0.868 552 HZ2 LYS 68 1HZ LYS 68 17.493 9.891 -0.432 553 HZ3 LYS 68 2HZ LYS 68 16.293 10.170 0.733 554 H GLY 69 H GLY 69 18.390 5.388 3.904 555 HA2 GLY 69 2HA GLY 69 19.206 2.565 3.981 556 HA3 GLY 69 1HA GLY 69 20.066 3.908 4.733 557 H HIS 70 H HIS 70 18.793 5.081 6.438 558 HA HIS 70 HA HIS 70 16.615 3.638 7.656 559 HB2 HIS 70 2HB HIS 70 18.424 2.527 8.813 560 HB3 HIS 70 1HB HIS 70 19.201 4.070 9.169 561 HD1 HIS 70 1HD HIS 70 16.056 2.129 10.043 562 HD2 HIS 70 2HD HIS 70 18.371 5.270 11.491 563 HE1 HIS 70 1HE HIS 70 15.045 2.761 12.261 564 HE2 HIS 70 2HE HIS 70 16.323 4.804 13.001 565 H SER 71 H SER 71 15.153 5.094 8.070 566 HA SER 71 HA SER 71 16.027 7.745 9.009 567 HB2 SER 71 2HB SER 71 13.550 7.181 7.366 568 HB3 SER 71 1HB SER 71 14.228 8.756 7.777 569 HG SER 71 HG SER 71 15.217 6.808 5.979 570 H GLU 72 H GLU 72 14.915 8.614 10.736 571 HA GLU 72 HA GLU 72 13.315 6.832 12.316 572 HB2 GLU 72 2HB GLU 72 13.933 9.776 12.657 573 HB3 GLU 72 1HB GLU 72 13.086 8.790 13.840 574 HG2 GLU 72 2HG GLU 72 15.903 8.328 12.889 575 HG3 GLU 72 1HG GLU 72 15.446 9.112 14.401 576 H GLY 73 H GLY 73 11.339 6.353 11.583 577 HA2 GLY 73 2HA GLY 73 9.783 8.188 10.023 578 HA3 GLY 73 1HA GLY 73 9.282 6.596 10.570 579 H GLY 74 H GLY 74 9.783 9.915 11.675 580 HA2 GLY 74 2HA GLY 74 7.362 9.679 13.310 581 HA3 GLY 74 1HA GLY 74 8.853 10.172 14.104 Start of MODEL 5 1 H1 VAL 1 1HT VAL 1 7.160 -4.015 4.096 2 H2 VAL 1 2HT VAL 1 5.768 -4.908 4.446 3 H3 VAL 1 3HT VAL 1 7.285 -5.489 4.924 4 HA VAL 1 HA VAL 1 7.544 -3.524 6.365 5 HB VAL 1 HB VAL 1 5.540 -2.252 6.970 6 HG11 VAL 1 2HG1 VAL 1 5.334 -0.918 4.914 7 HG12 VAL 1 3HG1 VAL 1 6.135 -2.208 4.014 8 HG13 VAL 1 1HG1 VAL 1 7.010 -1.336 5.273 9 HG21 VAL 1 1HG2 VAL 1 4.186 -3.732 4.711 10 HG22 VAL 1 2HG2 VAL 1 3.493 -2.402 5.640 11 HG23 VAL 1 3HG2 VAL 1 3.851 -3.937 6.431 12 H ASP 2 H ASP 2 6.937 -3.724 8.611 13 HA ASP 2 HA ASP 2 6.214 -6.484 9.178 14 HB2 ASP 2 2HB ASP 2 7.255 -4.336 11.037 15 HB3 ASP 2 1HB ASP 2 7.096 -6.046 11.422 16 H MET 3 H MET 3 4.409 -3.986 8.664 17 HA MET 3 HA MET 3 2.233 -3.484 9.077 18 HB2 MET 3 2HB MET 3 2.367 -5.884 10.876 19 HB3 MET 3 1HB MET 3 0.893 -4.988 10.548 20 HG2 MET 3 2HG MET 3 1.358 -5.481 8.088 21 HG3 MET 3 1HG MET 3 2.513 -6.673 8.680 22 HE1 MET 3 3HE MET 3 -0.859 -5.639 10.411 23 HE2 MET 3 1HE MET 3 -1.992 -6.762 9.661 24 HE3 MET 3 2HE MET 3 -1.219 -5.506 8.690 25 H SER 4 H SER 4 4.608 -2.786 10.947 26 HA SER 4 HA SER 4 3.615 -2.420 13.541 27 HB2 SER 4 2HB SER 4 5.736 -0.846 12.077 28 HB3 SER 4 1HB SER 4 5.529 -0.921 13.827 29 HG SER 4 HG SER 4 6.099 -3.069 13.787 30 H ASN 5 H ASN 5 3.262 -0.513 10.639 31 HA ASN 5 HA ASN 5 1.725 1.476 12.183 32 HB2 ASN 5 2HB ASN 5 3.206 1.817 9.565 33 HB3 ASN 5 1HB ASN 5 2.147 3.032 10.268 34 HD21 ASN 5 1HD2 ASN 5 2.985 2.476 12.993 35 HD22 ASN 5 2HD2 ASN 5 4.570 3.142 13.153 36 H VAL 6 H VAL 6 1.132 -1.191 10.637 37 HA VAL 6 HA VAL 6 -0.751 -0.213 8.636 38 HB VAL 6 HB VAL 6 0.024 -3.057 9.338 39 HG11 VAL 6 1HG1 VAL 6 -2.212 -2.953 8.398 40 HG12 VAL 6 2HG1 VAL 6 -1.086 -3.664 7.242 41 HG13 VAL 6 3HG1 VAL 6 -1.618 -1.993 7.043 42 HG21 VAL 6 3HG2 VAL 6 1.292 -3.009 7.252 43 HG22 VAL 6 1HG2 VAL 6 1.866 -1.771 8.369 44 HG23 VAL 6 2HG2 VAL 6 0.838 -1.323 7.008 45 H VAL 7 H VAL 7 -2.885 -0.177 8.880 46 HA VAL 7 HA VAL 7 -4.024 -1.263 11.368 47 HB VAL 7 HB VAL 7 -6.031 0.164 10.760 48 HG11 VAL 7 1HG1 VAL 7 -4.471 0.825 12.484 49 HG12 VAL 7 2HG1 VAL 7 -4.990 2.235 11.562 50 HG13 VAL 7 3HG1 VAL 7 -3.399 1.528 11.276 51 HG21 VAL 7 3HG2 VAL 7 -5.527 0.461 8.390 52 HG22 VAL 7 1HG2 VAL 7 -4.066 1.358 8.811 53 HG23 VAL 7 2HG2 VAL 7 -5.651 2.019 9.211 54 H LYS 8 H LYS 8 -4.151 -1.478 7.899 55 HA LYS 8 HA LYS 8 -5.886 -3.789 8.059 56 HB2 LYS 8 2HB LYS 8 -7.424 -1.814 7.943 57 HB3 LYS 8 1HB LYS 8 -6.697 -1.394 6.397 58 HG2 LYS 8 2HG LYS 8 -8.691 -2.530 5.883 59 HG3 LYS 8 1HG LYS 8 -7.389 -3.684 5.586 60 HD2 LYS 8 2HD LYS 8 -7.796 -4.597 7.882 61 HD3 LYS 8 1HD LYS 8 -9.220 -3.562 7.973 62 HE2 LYS 8 2HE LYS 8 -9.977 -5.707 7.307 63 HE3 LYS 8 1HE LYS 8 -10.037 -4.679 5.874 64 HZ1 LYS 8 3HZ LYS 8 -8.041 -5.671 5.061 65 HZ2 LYS 8 1HZ LYS 8 -9.095 -6.926 5.485 66 HZ3 LYS 8 2HZ LYS 8 -7.796 -6.526 6.498 67 H THR 9 H THR 9 -5.531 -5.189 6.439 68 HA THR 9 HA THR 9 -3.979 -4.242 4.128 69 HB THR 9 HB THR 9 -3.601 -6.860 5.595 70 HG1 THR 9 1HG THR 9 -2.679 -4.652 6.331 71 HG21 THR 9 3HG2 THR 9 -1.764 -7.254 4.035 72 HG22 THR 9 1HG2 THR 9 -2.138 -5.745 3.200 73 HG23 THR 9 2HG2 THR 9 -3.290 -7.081 3.166 74 H TYR 10 H TYR 10 -4.694 -4.916 2.168 75 HA TYR 10 HA TYR 10 -7.002 -6.758 2.168 76 HB2 TYR 10 2HB TYR 10 -6.385 -4.651 0.094 77 HB3 TYR 10 1HB TYR 10 -7.850 -5.610 0.229 78 HD1 TYR 10 2HD TYR 10 -9.245 -5.284 2.373 79 HD2 TYR 10 1HD TYR 10 -6.299 -2.520 1.049 80 HE1 TYR 10 2HE TYR 10 -10.291 -3.543 3.742 81 HE2 TYR 10 1HE TYR 10 -7.334 -0.758 2.419 82 HH TYR 10 HH TYR 10 -9.615 -1.394 4.828 83 H ASP 11 H ASP 11 -6.990 -8.463 0.784 84 HA ASP 11 HA ASP 11 -4.514 -9.067 -0.602 85 HB2 ASP 11 2HB ASP 11 -7.073 -10.656 -0.323 86 HB3 ASP 11 1HB ASP 11 -5.623 -11.229 -1.135 87 H LEU 12 H LEU 12 -4.181 -8.666 -2.682 88 HA LEU 12 HA LEU 12 -6.389 -7.550 -4.212 89 HB2 LEU 12 2HB LEU 12 -3.413 -7.495 -4.425 90 HB3 LEU 12 1HB LEU 12 -4.363 -7.200 -5.868 91 HG LEU 12 HG LEU 12 -3.854 -5.074 -4.990 92 HD11 LEU 12 1HD1 LEU 12 -6.169 -5.314 -5.696 93 HD12 LEU 12 2HD1 LEU 12 -6.015 -4.145 -4.385 94 HD13 LEU 12 3HD1 LEU 12 -6.629 -5.767 -4.056 95 HD21 LEU 12 3HD2 LEU 12 -4.764 -6.080 -2.301 96 HD22 LEU 12 1HD2 LEU 12 -4.300 -4.415 -2.670 97 HD23 LEU 12 2HD2 LEU 12 -3.107 -5.712 -2.784 98 H GLN 13 H GLN 13 -7.106 -8.268 -6.168 99 HA GLN 13 HA GLN 13 -7.083 -10.988 -6.804 100 HB2 GLN 13 2HB GLN 13 -7.615 -8.580 -8.553 101 HB3 GLN 13 1HB GLN 13 -7.926 -10.236 -9.050 102 HG2 GLN 13 2HG GLN 13 -9.202 -8.880 -6.686 103 HG3 GLN 13 1HG GLN 13 -9.937 -9.038 -8.280 104 HE21 GLN 13 1HE2 GLN 13 -10.873 -10.044 -5.729 105 HE22 GLN 13 2HE2 GLN 13 -10.996 -11.770 -5.893 106 H ASP 14 H ASP 14 -4.897 -8.443 -7.629 107 HA ASP 14 HA ASP 14 -3.604 -9.628 -9.846 108 HB2 ASP 14 2HB ASP 14 -3.251 -7.336 -9.656 109 HB3 ASP 14 1HB ASP 14 -2.954 -7.427 -7.927 110 H GLY 15 H GLY 15 -3.321 -10.038 -6.425 111 HA2 GLY 15 2HA GLY 15 -2.194 -12.055 -5.632 112 HA3 GLY 15 1HA GLY 15 -0.969 -11.761 -6.862 113 H SER 16 H SER 16 -1.237 -8.794 -6.152 114 HA SER 16 HA SER 16 0.775 -8.758 -4.114 115 HB2 SER 16 2HB SER 16 -0.763 -6.425 -5.279 116 HB3 SER 16 1HB SER 16 0.736 -6.345 -4.358 117 HG SER 16 HG SER 16 0.316 -7.372 -6.969 118 H LYS 17 H LYS 17 0.274 -6.788 -2.407 119 HA LYS 17 HA LYS 17 -2.298 -7.313 -1.130 120 HB2 LYS 17 2HB LYS 17 -0.384 -9.017 -0.512 121 HB3 LYS 17 1HB LYS 17 0.230 -7.691 0.457 122 HG2 LYS 17 2HG LYS 17 -1.992 -7.641 1.617 123 HG3 LYS 17 1HG LYS 17 -2.384 -9.135 0.757 124 HD2 LYS 17 2HD LYS 17 -0.355 -10.180 1.715 125 HD3 LYS 17 1HD LYS 17 -0.052 -8.704 2.629 126 HE2 LYS 17 2HE LYS 17 -1.101 -10.076 4.177 127 HE3 LYS 17 1HE LYS 17 -2.418 -9.068 3.582 128 HZ1 LYS 17 3HZ LYS 17 -1.809 -11.809 2.610 129 HZ2 LYS 17 1HZ LYS 17 -3.136 -10.854 2.152 130 HZ3 LYS 17 2HZ LYS 17 -3.008 -11.428 3.743 131 H VAL 18 H VAL 18 -2.995 -5.420 -0.199 132 HA VAL 18 HA VAL 18 -1.003 -3.258 -0.113 133 HB VAL 18 HB VAL 18 -2.873 -2.847 -1.632 134 HG11 VAL 18 1HG1 VAL 18 -5.136 -2.485 -0.823 135 HG12 VAL 18 2HG1 VAL 18 -4.643 -2.976 0.798 136 HG13 VAL 18 3HG1 VAL 18 -4.608 -4.142 -0.526 137 HG21 VAL 18 3HG2 VAL 18 -1.820 -0.944 -0.612 138 HG22 VAL 18 1HG2 VAL 18 -2.875 -1.079 0.802 139 HG23 VAL 18 2HG2 VAL 18 -3.554 -0.647 -0.767 140 H HIS 19 H HIS 19 -0.340 -2.556 1.779 141 HA HIS 19 HA HIS 19 -1.961 -3.205 4.154 142 HB2 HIS 19 2HB HIS 19 0.838 -2.408 4.617 143 HB3 HIS 19 1HB HIS 19 -0.076 -3.742 5.304 144 HD1 HIS 19 1HD HIS 19 -0.183 -5.964 3.772 145 HD2 HIS 19 2HD HIS 19 2.610 -3.082 2.684 146 HE1 HIS 19 1HE HIS 19 1.411 -7.138 2.204 147 HE2 HIS 19 2HE HIS 19 3.233 -5.428 1.804 148 H VAL 20 H VAL 20 -3.150 -1.444 4.598 149 HA VAL 20 HA VAL 20 -2.195 1.189 3.885 150 HB VAL 20 HB VAL 20 -4.686 0.807 5.491 151 HG11 VAL 20 1HG1 VAL 20 -4.007 3.036 4.772 152 HG12 VAL 20 2HG1 VAL 20 -5.509 2.550 3.981 153 HG13 VAL 20 3HG1 VAL 20 -3.986 2.491 3.090 154 HG21 VAL 20 3HG2 VAL 20 -5.945 0.198 3.454 155 HG22 VAL 20 1HG2 VAL 20 -4.802 -1.056 3.940 156 HG23 VAL 20 2HG2 VAL 20 -4.417 0.011 2.591 157 H PHE 21 H PHE 21 -1.664 2.838 5.278 158 HA PHE 21 HA PHE 21 -0.829 1.879 7.929 159 HB2 PHE 21 2HB PHE 21 0.251 4.149 6.252 160 HB3 PHE 21 1HB PHE 21 0.849 3.695 7.844 161 HD1 PHE 21 2HD PHE 21 1.825 1.401 8.146 162 HD2 PHE 21 1HD PHE 21 1.031 3.082 4.325 163 HE1 PHE 21 2HE PHE 21 3.373 -0.199 7.124 164 HE2 PHE 21 1HE PHE 21 2.579 1.476 3.291 165 HZ PHE 21 HZ PHE 21 3.716 -0.168 4.650 166 H LYS 22 H LYS 22 -0.725 3.438 9.659 167 HA LYS 22 HA LYS 22 -3.114 4.905 10.067 168 HB2 LYS 22 2HB LYS 22 -0.488 5.072 11.564 169 HB3 LYS 22 1HB LYS 22 -2.046 5.648 12.141 170 HG2 LYS 22 2HG LYS 22 -2.890 3.452 12.346 171 HG3 LYS 22 1HG LYS 22 -1.531 2.774 11.447 172 HD2 LYS 22 2HD LYS 22 -0.011 3.406 13.247 173 HD3 LYS 22 1HD LYS 22 -1.356 4.119 14.141 174 HE2 LYS 22 2HE LYS 22 -1.279 1.228 13.304 175 HE3 LYS 22 1HE LYS 22 -0.668 1.798 14.859 176 HZ1 LYS 22 3HZ LYS 22 -2.858 2.617 15.405 177 HZ2 LYS 22 1HZ LYS 22 -2.959 0.973 14.990 178 HZ3 LYS 22 2HZ LYS 22 -3.453 2.162 13.886 179 H ASP 23 H ASP 23 -0.221 5.625 8.475 180 HA ASP 23 HA ASP 23 -0.057 8.412 8.873 181 HB2 ASP 23 2HB ASP 23 1.793 7.029 7.987 182 HB3 ASP 23 1HB ASP 23 0.871 6.768 6.507 183 H GLY 24 H GLY 24 -2.081 6.437 6.869 184 HA2 GLY 24 2HA GLY 24 -4.163 7.446 6.122 185 HA3 GLY 24 1HA GLY 24 -3.255 8.906 5.761 186 H LYS 25 H LYS 25 -1.286 6.507 4.793 187 HA LYS 25 HA LYS 25 -2.495 6.399 2.127 188 HB2 LYS 25 2HB LYS 25 -0.058 6.125 1.337 189 HB3 LYS 25 1HB LYS 25 -0.675 7.726 1.729 190 HG2 LYS 25 2HG LYS 25 1.465 7.595 2.651 191 HG3 LYS 25 1HG LYS 25 0.352 7.458 4.000 192 HD2 LYS 25 2HD LYS 25 0.695 5.072 4.104 193 HD3 LYS 25 1HD LYS 25 1.687 5.117 2.645 194 HE2 LYS 25 2HE LYS 25 2.339 6.447 5.274 195 HE3 LYS 25 1HE LYS 25 3.067 4.963 4.659 196 HZ1 LYS 25 3HZ LYS 25 3.210 7.575 3.269 197 HZ2 LYS 25 1HZ LYS 25 4.053 6.164 2.867 198 HZ3 LYS 25 2HZ LYS 25 4.417 7.002 4.302 199 H MET 26 H MET 26 -1.364 4.566 0.784 200 HA MET 26 HA MET 26 -1.701 2.160 2.449 201 HB2 MET 26 2HB MET 26 -2.149 2.441 -0.524 202 HB3 MET 26 1HB MET 26 -2.475 1.016 0.454 203 HG2 MET 26 2HG MET 26 -4.164 2.290 1.699 204 HG3 MET 26 1HG MET 26 -3.861 3.676 0.653 205 HE1 MET 26 3HE MET 26 -6.651 2.819 1.051 206 HE2 MET 26 1HE MET 26 -7.354 2.549 -0.546 207 HE3 MET 26 2HE MET 26 -6.320 3.949 -0.266 208 H GLY 27 H GLY 27 -0.110 0.753 2.601 209 HA2 GLY 27 2HA GLY 27 2.322 1.176 1.083 210 HA3 GLY 27 1HA GLY 27 2.067 -0.018 2.350 211 H MET 28 H MET 28 1.776 0.695 -1.006 212 HA MET 28 HA MET 28 0.510 -1.779 -1.683 213 HB2 MET 28 2HB MET 28 0.148 0.135 -3.105 214 HB3 MET 28 1HB MET 28 1.875 0.321 -3.368 215 HG2 MET 28 2HG MET 28 1.337 -0.730 -5.287 216 HG3 MET 28 1HG MET 28 1.642 -2.127 -4.264 217 HE1 MET 28 3HE MET 28 -0.529 -3.400 -2.943 218 HE2 MET 28 1HE MET 28 -2.205 -3.005 -3.349 219 HE3 MET 28 2HE MET 28 -1.206 -1.830 -2.480 220 H GLU 29 H GLU 29 1.629 -3.526 -1.143 221 HA GLU 29 HA GLU 29 4.256 -3.902 -2.412 222 HB2 GLU 29 2HB GLU 29 3.389 -4.841 0.338 223 HB3 GLU 29 1HB GLU 29 4.783 -5.494 -0.506 224 HG2 GLU 29 2HG GLU 29 5.812 -3.299 -0.504 225 HG3 GLU 29 1HG GLU 29 4.414 -2.649 0.334 226 H ASN 30 H ASN 30 4.669 -6.360 -2.569 227 HA ASN 30 HA ASN 30 2.249 -7.730 -3.319 228 HB2 ASN 30 2HB ASN 30 3.725 -9.643 -3.780 229 HB3 ASN 30 1HB ASN 30 4.308 -8.181 -4.557 230 HD21 ASN 30 1HD2 ASN 30 6.321 -9.280 -4.725 231 HD22 ASN 30 2HD2 ASN 30 7.409 -9.312 -3.377 232 H LYS 31 H LYS 31 2.191 -10.152 -2.207 233 HA LYS 31 HA LYS 31 1.282 -9.620 0.399 234 HB2 LYS 31 2HB LYS 31 0.931 -11.990 0.667 235 HB3 LYS 31 1HB LYS 31 0.478 -11.531 -0.969 236 HG2 LYS 31 2HG LYS 31 3.204 -12.607 -0.371 237 HG3 LYS 31 1HG LYS 31 1.829 -13.683 -0.625 238 HD2 LYS 31 2HD LYS 31 2.280 -11.521 -2.596 239 HD3 LYS 31 1HD LYS 31 3.394 -12.897 -2.617 240 HE2 LYS 31 2HE LYS 31 1.541 -14.437 -2.869 241 HE3 LYS 31 1HE LYS 31 0.385 -13.116 -2.716 242 HZ1 LYS 31 3HZ LYS 31 2.382 -13.347 -4.907 243 HZ2 LYS 31 1HZ LYS 31 1.136 -12.206 -4.773 244 HZ3 LYS 31 2HZ LYS 31 0.759 -13.834 -5.024 245 H PHE 32 H PHE 32 4.435 -10.136 -0.710 246 HA PHE 32 HA PHE 32 5.377 -11.453 1.679 247 HB2 PHE 32 2HB PHE 32 6.937 -10.430 -0.693 248 HB3 PHE 32 1HB PHE 32 7.542 -11.490 0.573 249 HD1 PHE 32 2HD PHE 32 5.906 -13.627 0.931 250 HD2 PHE 32 1HD PHE 32 6.472 -11.441 -2.677 251 HE1 PHE 32 2HE PHE 32 5.173 -15.586 -0.370 252 HE2 PHE 32 1HE PHE 32 5.738 -13.391 -3.981 253 HZ PHE 32 HZ PHE 32 5.143 -15.487 -2.822 254 H GLY 33 H GLY 33 5.371 -8.161 0.355 255 HA2 GLY 33 2HA GLY 33 5.753 -6.294 1.790 256 HA3 GLY 33 1HA GLY 33 6.767 -7.318 2.803 257 H LYS 34 H LYS 34 7.051 -7.496 -0.623 258 HA LYS 34 HA LYS 34 9.706 -6.305 -0.502 259 HB2 LYS 34 2HB LYS 34 8.236 -7.955 -2.530 260 HB3 LYS 34 1HB LYS 34 9.616 -7.001 -3.026 261 HG2 LYS 34 2HG LYS 34 10.291 -9.276 -2.574 262 HG3 LYS 34 1HG LYS 34 11.018 -8.186 -1.397 263 HD2 LYS 34 2HD LYS 34 9.260 -8.799 0.222 264 HD3 LYS 34 1HD LYS 34 8.585 -9.922 -0.960 265 HE2 LYS 34 2HE LYS 34 11.389 -10.072 0.141 266 HE3 LYS 34 1HE LYS 34 10.026 -11.008 0.750 267 HZ1 LYS 34 3HZ LYS 34 9.830 -12.113 -1.348 268 HZ2 LYS 34 1HZ LYS 34 11.441 -12.227 -0.841 269 HZ3 LYS 34 2HZ LYS 34 11.010 -11.123 -2.047 270 H SER 35 H SER 35 10.240 -4.411 -1.453 271 HA SER 35 HA SER 35 8.321 -2.419 -1.644 272 HB2 SER 35 2HB SER 35 11.051 -2.383 -2.946 273 HB3 SER 35 1HB SER 35 10.100 -0.992 -2.420 274 HG SER 35 HG SER 35 10.234 -2.128 -0.252 275 H MET 36 H MET 36 6.696 -2.476 -3.049 276 HA MET 36 HA MET 36 7.320 -2.869 -5.888 277 HB2 MET 36 2HB MET 36 6.161 -4.828 -4.851 278 HB3 MET 36 1HB MET 36 4.826 -3.777 -4.416 279 HG2 MET 36 2HG MET 36 5.593 -3.865 -7.262 280 HG3 MET 36 1HG MET 36 4.833 -5.300 -6.590 281 HE1 MET 36 3HE MET 36 2.422 -5.415 -5.639 282 HE2 MET 36 1HE MET 36 1.389 -4.002 -5.379 283 HE3 MET 36 2HE MET 36 2.868 -4.200 -4.440 284 H ASN 37 H ASN 37 5.813 -1.758 -7.355 285 HA ASN 37 HA ASN 37 4.611 0.612 -6.135 286 HB2 ASN 37 2HB ASN 37 6.661 0.685 -8.357 287 HB3 ASN 37 1HB ASN 37 5.733 2.071 -7.784 288 HD21 ASN 37 1HD2 ASN 37 8.235 -0.219 -7.015 289 HD22 ASN 37 2HD2 ASN 37 8.895 0.641 -5.677 290 H MET 38 H MET 38 2.626 0.657 -6.798 291 HA MET 38 HA MET 38 1.930 -0.199 -9.515 292 HB2 MET 38 2HB MET 38 0.543 -1.334 -8.010 293 HB3 MET 38 1HB MET 38 0.394 0.059 -6.946 294 HG2 MET 38 2HG MET 38 -0.995 1.178 -8.614 295 HG3 MET 38 1HG MET 38 -0.850 -0.223 -9.672 296 HE1 MET 38 3HE MET 38 -2.821 -2.970 -7.819 297 HE2 MET 38 1HE MET 38 -1.082 -2.688 -7.844 298 HE3 MET 38 2HE MET 38 -2.028 -2.491 -9.321 299 HA PRO 39 HA PRO 39 1.423 4.090 -10.680 300 HB2 PRO 39 2HB PRO 39 -0.305 3.559 -12.776 301 HB3 PRO 39 1HB PRO 39 1.456 3.536 -12.893 302 HG2 PRO 39 2HG PRO 39 -0.456 1.265 -12.568 303 HG3 PRO 39 1HG PRO 39 1.029 1.355 -13.534 304 HD2 PRO 39 2HD PRO 39 0.949 0.069 -11.174 305 HD3 PRO 39 1HD PRO 39 2.392 0.957 -11.706 306 H GLU 40 H GLU 40 0.043 5.538 -9.908 307 HA GLU 40 HA GLU 40 -2.290 4.798 -8.492 308 HB2 GLU 40 2HB GLU 40 -2.703 7.269 -8.365 309 HB3 GLU 40 1HB GLU 40 -1.106 6.783 -7.824 310 HG2 GLU 40 2HG GLU 40 -1.584 7.783 -10.610 311 HG3 GLU 40 1HG GLU 40 -1.318 8.886 -9.263 312 H GLY 41 H GLY 41 -4.431 4.951 -9.008 313 HA2 GLY 41 2HA GLY 41 -6.206 5.658 -10.537 314 HA3 GLY 41 1HA GLY 41 -5.060 5.449 -11.854 315 H LYS 42 H LYS 42 -4.085 2.980 -10.403 316 HA LYS 42 HA LYS 42 -5.515 1.039 -11.826 317 HB2 LYS 42 2HB LYS 42 -3.603 0.936 -9.520 318 HB3 LYS 42 1HB LYS 42 -4.379 -0.528 -10.102 319 HG2 LYS 42 2HG LYS 42 -3.045 1.173 -12.117 320 HG3 LYS 42 1HG LYS 42 -2.014 0.304 -10.978 321 HD2 LYS 42 2HD LYS 42 -3.325 -1.773 -11.575 322 HD3 LYS 42 1HD LYS 42 -4.038 -0.836 -12.892 323 HE2 LYS 42 2HE LYS 42 -1.866 -0.472 -13.865 324 HE3 LYS 42 1HE LYS 42 -1.077 -1.243 -12.485 325 HZ1 LYS 42 3HZ LYS 42 -2.926 -2.591 -14.381 326 HZ2 LYS 42 1HZ LYS 42 -2.133 -3.323 -13.074 327 HZ3 LYS 42 2HZ LYS 42 -1.236 -2.734 -14.390 328 H VAL 43 H VAL 43 -7.306 -0.074 -11.425 329 HA VAL 43 HA VAL 43 -8.833 0.380 -9.022 330 HB VAL 43 HB VAL 43 -9.340 -1.591 -11.255 331 HG11 VAL 43 1HG1 VAL 43 -10.539 -2.110 -9.192 332 HG12 VAL 43 2HG1 VAL 43 -11.643 -1.568 -10.455 333 HG13 VAL 43 3HG1 VAL 43 -11.186 -0.472 -9.152 334 HG21 VAL 43 3HG2 VAL 43 -9.247 0.686 -12.119 335 HG22 VAL 43 1HG2 VAL 43 -10.389 1.214 -10.883 336 HG23 VAL 43 2HG2 VAL 43 -10.904 0.082 -12.132 337 H MET 44 H MET 44 -7.977 -0.524 -7.218 338 HA MET 44 HA MET 44 -6.815 -3.189 -7.330 339 HB2 MET 44 2HB MET 44 -7.193 -1.327 -4.975 340 HB3 MET 44 1HB MET 44 -6.272 -2.827 -4.967 341 HG2 MET 44 2HG MET 44 -4.841 -1.814 -6.766 342 HG3 MET 44 1HG MET 44 -5.662 -0.289 -6.441 343 HE1 MET 44 3HE MET 44 -4.392 0.746 -2.960 344 HE2 MET 44 1HE MET 44 -5.973 0.190 -3.510 345 HE3 MET 44 2HE MET 44 -5.042 1.319 -4.495 346 H GLU 45 H GLU 45 -8.355 -4.741 -7.526 347 HA GLU 45 HA GLU 45 -10.697 -4.571 -5.790 348 HB2 GLU 45 2HB GLU 45 -10.999 -5.118 -8.211 349 HB3 GLU 45 1HB GLU 45 -10.119 -6.617 -7.936 350 HG2 GLU 45 2HG GLU 45 -11.809 -7.388 -6.403 351 HG3 GLU 45 1HG GLU 45 -12.664 -5.852 -6.520 352 H THR 46 H THR 46 -10.779 -5.602 -3.950 353 HA THR 46 HA THR 46 -8.670 -7.342 -3.114 354 HB THR 46 HB THR 46 -9.796 -7.454 -0.993 355 HG1 THR 46 1HG THR 46 -11.939 -6.425 -0.838 356 HG21 THR 46 3HG2 THR 46 -8.674 -5.338 -1.470 357 HG22 THR 46 1HG2 THR 46 -10.098 -5.078 -0.465 358 HG23 THR 46 2HG2 THR 46 -10.154 -4.703 -2.189 359 H ARG 47 H ARG 47 -9.239 -9.521 -2.083 360 HA ARG 47 HA ARG 47 -10.643 -11.129 -3.980 361 HB2 ARG 47 2HB ARG 47 -9.429 -11.778 -1.304 362 HB3 ARG 47 1HB ARG 47 -10.240 -12.978 -2.302 363 HG2 ARG 47 2HG ARG 47 -8.620 -12.491 -4.115 364 HG3 ARG 47 1HG ARG 47 -7.766 -11.411 -3.008 365 HD2 ARG 47 2HD ARG 47 -8.231 -14.369 -2.639 366 HD3 ARG 47 1HD ARG 47 -6.700 -13.586 -3.040 367 HE ARG 47 HE ARG 47 -7.059 -12.407 -0.794 368 HH11 ARG 47 1HH1 ARG 47 -8.052 -15.695 -1.465 369 HH12 ARG 47 2HH1 ARG 47 -7.936 -16.199 0.192 370 HH21 ARG 47 1HH2 ARG 47 -6.906 -13.063 1.387 371 HH22 ARG 47 2HH2 ARG 47 -7.281 -14.710 1.812 372 H ASP 48 H ASP 48 -11.850 -9.093 -1.779 373 HA ASP 48 HA ASP 48 -14.109 -10.778 -0.999 374 HB2 ASP 48 2HB ASP 48 -13.076 -9.280 0.700 375 HB3 ASP 48 1HB ASP 48 -13.481 -7.894 -0.302 376 H GLY 49 H GLY 49 -13.084 -8.805 -3.474 377 HA2 GLY 49 2HA GLY 49 -14.293 -8.260 -5.414 378 HA3 GLY 49 1HA GLY 49 -15.792 -8.488 -4.521 379 H THR 50 H THR 50 -13.134 -6.579 -3.315 380 HA THR 50 HA THR 50 -14.881 -4.211 -3.378 381 HB THR 50 HB THR 50 -12.386 -4.536 -1.714 382 HG1 THR 50 1HG THR 50 -14.347 -6.139 -1.483 383 HG21 THR 50 3HG2 THR 50 -13.491 -2.891 -0.276 384 HG22 THR 50 1HG2 THR 50 -14.880 -2.864 -1.363 385 HG23 THR 50 2HG2 THR 50 -13.312 -2.278 -1.919 386 H LYS 51 H LYS 51 -14.460 -2.866 -4.988 387 HA LYS 51 HA LYS 51 -11.808 -2.699 -6.127 388 HB2 LYS 51 2HB LYS 51 -14.486 -1.552 -6.810 389 HB3 LYS 51 1HB LYS 51 -13.034 -0.907 -7.528 390 HG2 LYS 51 2HG LYS 51 -12.510 -3.205 -8.335 391 HG3 LYS 51 1HG LYS 51 -14.112 -3.690 -7.758 392 HD2 LYS 51 2HD LYS 51 -15.160 -2.059 -9.201 393 HD3 LYS 51 1HD LYS 51 -13.580 -1.464 -9.718 394 HE2 LYS 51 2HE LYS 51 -14.503 -2.910 -11.402 395 HE3 LYS 51 1HE LYS 51 -13.090 -3.663 -10.670 396 HZ1 LYS 51 3HZ LYS 51 -15.833 -4.281 -9.762 397 HZ2 LYS 51 1HZ LYS 51 -14.412 -5.170 -9.499 398 HZ3 LYS 51 2HZ LYS 51 -15.111 -5.111 -11.047 399 H ILE 52 H ILE 52 -10.389 -1.595 -4.981 400 HA ILE 52 HA ILE 52 -11.142 1.100 -4.051 401 HB ILE 52 HB ILE 52 -8.924 -0.684 -3.017 402 HG12 ILE 52 2HG1 ILE 52 -11.499 0.146 -1.664 403 HG13 ILE 52 1HG1 ILE 52 -11.233 -1.425 -2.414 404 HG21 ILE 52 1HG2 ILE 52 -8.393 1.713 -2.901 405 HG22 ILE 52 2HG2 ILE 52 -8.588 0.992 -1.303 406 HG23 ILE 52 3HG2 ILE 52 -9.877 1.985 -1.986 407 HD11 ILE 52 3HD1 ILE 52 -9.726 -0.299 -0.065 408 HD12 ILE 52 1HD1 ILE 52 -9.426 -1.863 -0.824 409 HD13 ILE 52 2HD1 ILE 52 -10.962 -1.556 -0.014 410 H ILE 53 H ILE 53 -10.572 2.369 -5.742 411 HA ILE 53 HA ILE 53 -8.371 1.808 -7.462 412 HB ILE 53 HB ILE 53 -9.994 4.342 -7.111 413 HG12 ILE 53 2HG1 ILE 53 -10.832 3.613 -9.436 414 HG13 ILE 53 1HG1 ILE 53 -10.133 2.044 -9.063 415 HG21 ILE 53 1HG2 ILE 53 -7.949 3.664 -9.217 416 HG22 ILE 53 2HG2 ILE 53 -7.828 4.929 -7.992 417 HG23 ILE 53 3HG2 ILE 53 -9.037 5.049 -9.269 418 HD11 ILE 53 3HD1 ILE 53 -12.512 2.072 -8.605 419 HD12 ILE 53 1HD1 ILE 53 -12.298 3.427 -7.498 420 HD13 ILE 53 2HD1 ILE 53 -11.592 1.858 -7.116 421 H MET 54 H MET 54 -6.295 2.368 -7.310 422 HA MET 54 HA MET 54 -5.407 3.666 -4.882 423 HB2 MET 54 2HB MET 54 -4.239 1.673 -6.037 424 HB3 MET 54 1HB MET 54 -3.624 2.852 -7.180 425 HG2 MET 54 2HG MET 54 -2.398 3.977 -5.529 426 HG3 MET 54 1HG MET 54 -3.266 3.187 -4.232 427 HE1 MET 54 3HE MET 54 -0.743 2.991 -3.172 428 HE2 MET 54 1HE MET 54 -0.287 1.289 -3.116 429 HE3 MET 54 2HE MET 54 -1.943 1.771 -2.752 430 H LYS 55 H LYS 55 -6.650 5.622 -5.557 431 HA LYS 55 HA LYS 55 -4.936 7.643 -6.639 432 HB2 LYS 55 2HB LYS 55 -5.617 6.731 -8.759 433 HB3 LYS 55 1HB LYS 55 -7.296 6.663 -8.252 434 HG2 LYS 55 2HG LYS 55 -7.408 9.094 -8.248 435 HG3 LYS 55 1HG LYS 55 -5.709 9.180 -8.717 436 HD2 LYS 55 2HD LYS 55 -6.180 8.079 -10.808 437 HD3 LYS 55 1HD LYS 55 -7.855 7.809 -10.330 438 HE2 LYS 55 2HE LYS 55 -6.604 10.529 -10.657 439 HE3 LYS 55 1HE LYS 55 -7.518 9.706 -11.920 440 HZ1 LYS 55 3HZ LYS 55 -8.545 10.574 -9.264 441 HZ2 LYS 55 1HZ LYS 55 -9.433 9.663 -10.386 442 HZ3 LYS 55 2HZ LYS 55 -8.939 11.238 -10.775 443 H GLY 56 H GLY 56 -5.545 9.607 -5.821 444 HA2 GLY 56 2HA GLY 56 -6.889 11.229 -4.855 445 HA3 GLY 56 1HA GLY 56 -8.281 10.194 -5.140 446 H ASN 57 H ASN 57 -7.681 7.961 -3.751 447 HA ASN 57 HA ASN 57 -7.653 8.901 -0.970 448 HB2 ASN 57 2HB ASN 57 -8.640 6.641 -0.472 449 HB3 ASN 57 1HB ASN 57 -9.651 7.653 -1.497 450 HD21 ASN 57 1HD2 ASN 57 -7.519 4.880 -1.420 451 HD22 ASN 57 2HD2 ASN 57 -8.050 4.194 -2.919 452 H GLU 58 H GLU 58 -5.560 7.984 -3.127 453 HA GLU 58 HA GLU 58 -3.596 7.183 -1.256 454 HB2 GLU 58 2HB GLU 58 -4.937 5.022 -1.853 455 HB3 GLU 58 1HB GLU 58 -4.104 5.130 -3.392 456 HG2 GLU 58 2HG GLU 58 -3.008 4.548 -0.684 457 HG3 GLU 58 1HG GLU 58 -2.761 3.702 -2.207 458 H ILE 59 H ILE 59 -2.364 8.801 -2.043 459 HA ILE 59 HA ILE 59 -1.416 8.477 -4.784 460 HB ILE 59 HB ILE 59 -2.954 10.405 -4.584 461 HG12 ILE 59 2HG1 ILE 59 -0.090 11.236 -5.008 462 HG13 ILE 59 1HG1 ILE 59 -1.081 10.402 -6.194 463 HG21 ILE 59 1HG2 ILE 59 -0.910 11.474 -2.642 464 HG22 ILE 59 2HG2 ILE 59 -2.560 10.980 -2.261 465 HG23 ILE 59 3HG2 ILE 59 -2.275 12.381 -3.296 466 HD11 ILE 59 3HD1 ILE 59 -0.966 12.783 -6.659 467 HD12 ILE 59 1HD1 ILE 59 -1.622 13.135 -5.060 468 HD13 ILE 59 2HD1 ILE 59 -2.612 12.299 -6.256 469 H PHE 60 H PHE 60 -0.564 8.178 -1.648 470 HA PHE 60 HA PHE 60 2.029 9.539 -1.928 471 HB2 PHE 60 2HB PHE 60 0.483 10.018 0.059 472 HB3 PHE 60 1HB PHE 60 0.917 8.411 0.632 473 HD1 PHE 60 1HD PHE 60 2.135 11.813 0.011 474 HD2 PHE 60 2HD PHE 60 3.109 7.942 1.492 475 HE1 PHE 60 1HE PHE 60 4.165 12.726 1.061 476 HE2 PHE 60 2HE PHE 60 5.137 8.851 2.546 477 HZ PHE 60 HZ PHE 60 5.666 11.280 2.307 478 H ARG 61 H ARG 61 0.507 6.470 -1.217 479 HA ARG 61 HA ARG 61 1.191 4.345 -1.301 480 HB2 ARG 61 2HB ARG 61 2.233 5.357 -3.481 481 HB3 ARG 61 1HB ARG 61 3.756 5.072 -2.646 482 HG2 ARG 61 2HG ARG 61 3.489 2.788 -2.654 483 HG3 ARG 61 1HG ARG 61 1.738 2.884 -2.820 484 HD2 ARG 61 2HD ARG 61 2.697 2.098 -4.889 485 HD3 ARG 61 1HD ARG 61 2.030 3.711 -5.124 486 HE ARG 61 HE ARG 61 4.909 3.135 -4.827 487 HH11 ARG 61 1HH1 ARG 61 2.264 5.049 -6.093 488 HH12 ARG 61 2HH1 ARG 61 3.279 5.990 -7.151 489 HH21 ARG 61 1HH2 ARG 61 6.252 4.362 -6.207 490 HH22 ARG 61 2HH2 ARG 61 5.562 5.617 -7.189 491 H LEU 62 H LEU 62 4.218 3.663 -1.315 492 HA LEU 62 HA LEU 62 4.011 2.995 1.460 493 HB2 LEU 62 2HB LEU 62 5.069 1.790 -0.778 494 HB3 LEU 62 1HB LEU 62 6.496 2.259 0.123 495 HG LEU 62 HG LEU 62 4.304 0.378 0.948 496 HD11 LEU 62 1HD1 LEU 62 6.188 -1.131 1.287 497 HD12 LEU 62 2HD1 LEU 62 7.294 0.143 0.762 498 HD13 LEU 62 3HD1 LEU 62 6.118 -0.530 -0.369 499 HD21 LEU 62 3HD2 LEU 62 5.328 0.223 3.146 500 HD22 LEU 62 1HD2 LEU 62 4.736 1.857 2.854 501 HD23 LEU 62 2HD2 LEU 62 6.461 1.511 2.729 502 H ASP 63 H ASP 63 7.256 3.170 0.601 503 HA ASP 63 HA ASP 63 7.887 5.695 1.742 504 HB2 ASP 63 2HB ASP 63 7.057 4.634 3.779 505 HB3 ASP 63 1HB ASP 63 8.153 3.279 3.536 506 H GLU 64 H GLU 64 9.355 2.482 2.118 507 HA GLU 64 HA GLU 64 11.984 3.100 1.980 508 HB2 GLU 64 2HB GLU 64 10.645 0.681 0.755 509 HB3 GLU 64 1HB GLU 64 12.367 0.810 1.074 510 HG2 GLU 64 2HG GLU 64 10.461 1.235 3.318 511 HG3 GLU 64 1HG GLU 64 10.747 -0.404 2.741 512 H ALA 65 H ALA 65 10.042 2.246 -0.873 513 HA ALA 65 HA ALA 65 12.207 2.555 -2.689 514 HB1 ALA 65 1HB ALA 65 10.350 1.010 -3.078 515 HB2 ALA 65 2HB ALA 65 10.558 2.139 -4.418 516 HB3 ALA 65 3HB ALA 65 9.255 2.382 -3.254 517 H LEU 66 H LEU 66 10.322 4.891 -1.189 518 HA LEU 66 HA LEU 66 10.265 6.634 -3.535 519 HB2 LEU 66 2HB LEU 66 8.928 6.868 -0.846 520 HB3 LEU 66 1HB LEU 66 8.750 8.003 -2.161 521 HG LEU 66 HG LEU 66 7.906 5.111 -2.267 522 HD11 LEU 66 1HD1 LEU 66 5.627 5.981 -2.191 523 HD12 LEU 66 2HD1 LEU 66 6.255 7.615 -1.982 524 HD13 LEU 66 3HD1 LEU 66 6.524 6.402 -0.730 525 HD21 LEU 66 3HD2 LEU 66 8.533 5.980 -4.455 526 HD22 LEU 66 1HD2 LEU 66 7.487 7.378 -4.215 527 HD23 LEU 66 2HD2 LEU 66 6.786 5.765 -4.350 528 H ARG 67 H ARG 67 11.535 6.443 -0.254 529 HA ARG 67 HA ARG 67 12.730 9.092 -0.547 530 HB2 ARG 67 2HB ARG 67 13.369 8.781 1.858 531 HB3 ARG 67 1HB ARG 67 11.642 8.779 1.546 532 HG2 ARG 67 2HG ARG 67 11.880 7.057 3.046 533 HG3 ARG 67 1HG ARG 67 11.893 6.208 1.501 534 HD2 ARG 67 2HD ARG 67 13.630 5.286 2.847 535 HD3 ARG 67 1HD ARG 67 14.392 6.261 1.591 536 HE ARG 67 HE ARG 67 14.597 8.035 3.353 537 HH11 ARG 67 1HH1 ARG 67 14.283 4.660 4.241 538 HH12 ARG 67 2HH1 ARG 67 15.192 4.830 5.714 539 HH21 ARG 67 1HH2 ARG 67 15.765 8.270 5.317 540 HH22 ARG 67 2HH2 ARG 67 16.028 6.880 6.325 541 H LYS 68 H LYS 68 13.539 6.077 -1.408 542 HA LYS 68 HA LYS 68 15.427 4.984 -1.984 543 HB2 LYS 68 2HB LYS 68 16.058 6.960 -3.196 544 HB3 LYS 68 1HB LYS 68 16.630 7.742 -1.730 545 HG2 LYS 68 2HG LYS 68 18.459 6.926 -3.159 546 HG3 LYS 68 1HG LYS 68 18.465 6.180 -1.559 547 HD2 LYS 68 2HD LYS 68 17.326 4.208 -2.512 548 HD3 LYS 68 1HD LYS 68 17.409 4.952 -4.108 549 HE2 LYS 68 2HE LYS 68 19.194 3.314 -3.800 550 HE3 LYS 68 1HE LYS 68 19.843 4.938 -4.000 551 HZ1 LYS 68 3HZ LYS 68 20.896 3.590 -2.202 552 HZ2 LYS 68 1HZ LYS 68 19.436 3.669 -1.351 553 HZ3 LYS 68 2HZ LYS 68 20.292 5.090 -1.690 554 H GLY 69 H GLY 69 15.551 3.615 -0.279 555 HA2 GLY 69 2HA GLY 69 17.868 3.471 1.161 556 HA3 GLY 69 1HA GLY 69 16.764 4.363 2.201 557 H HIS 70 H HIS 70 17.555 2.176 3.291 558 HA HIS 70 HA HIS 70 15.221 0.427 3.105 559 HB2 HIS 70 2HB HIS 70 17.015 -0.652 1.770 560 HB3 HIS 70 1HB HIS 70 18.068 -0.609 3.181 561 HD1 HIS 70 1HD HIS 70 17.813 -2.454 4.895 562 HD2 HIS 70 2HD HIS 70 14.838 -2.500 1.981 563 HE1 HIS 70 1HE HIS 70 16.549 -4.602 5.244 564 HE2 HIS 70 2HE HIS 70 14.861 -4.681 3.368 565 H SER 71 H SER 71 14.370 0.174 5.058 566 HA SER 71 HA SER 71 15.852 0.996 7.396 567 HB2 SER 71 2HB SER 71 13.074 -0.188 7.207 568 HB3 SER 71 1HB SER 71 13.761 0.653 8.596 569 HG SER 71 HG SER 71 12.970 1.684 6.082 570 H GLU 72 H GLU 72 17.334 -0.364 8.166 571 HA GLU 72 HA GLU 72 17.172 -3.203 7.961 572 HB2 GLU 72 2HB GLU 72 18.852 -1.654 9.940 573 HB3 GLU 72 1HB GLU 72 19.160 -3.257 9.291 574 HG2 GLU 72 2HG GLU 72 19.269 -0.680 7.749 575 HG3 GLU 72 1HG GLU 72 20.653 -1.594 8.347 576 H GLY 73 H GLY 73 16.870 -0.922 10.651 577 HA2 GLY 73 2HA GLY 73 14.718 -1.591 11.989 578 HA3 GLY 73 1HA GLY 73 15.703 -3.008 12.337 579 H GLY 74 H GLY 74 18.026 -2.374 13.015 580 HA2 GLY 74 2HA GLY 74 19.469 -1.128 14.345 581 HA3 GLY 74 1HA GLY 74 18.207 0.081 14.540 Start of MODEL 6 1 H1 VAL 1 1HT VAL 1 6.543 -5.683 4.926 2 H2 VAL 1 2HT VAL 1 8.160 -5.380 5.324 3 H3 VAL 1 3HT VAL 1 7.444 -4.562 4.023 4 HA VAL 1 HA VAL 1 7.610 -3.101 5.907 5 HB VAL 1 HB VAL 1 4.740 -3.987 5.531 6 HG11 VAL 1 2HG1 VAL 1 4.209 -1.637 6.018 7 HG12 VAL 1 3HG1 VAL 1 5.915 -1.333 6.343 8 HG13 VAL 1 1HG1 VAL 1 5.006 -2.437 7.374 9 HG21 VAL 1 1HG2 VAL 1 4.633 -2.382 3.707 10 HG22 VAL 1 2HG2 VAL 1 5.855 -3.613 3.382 11 HG23 VAL 1 3HG2 VAL 1 6.342 -2.005 3.919 12 H ASP 2 H ASP 2 7.796 -2.935 8.051 13 HA ASP 2 HA ASP 2 7.416 -5.333 9.602 14 HB2 ASP 2 2HB ASP 2 8.593 -2.653 10.349 15 HB3 ASP 2 1HB ASP 2 8.633 -4.095 11.361 16 H MET 3 H MET 3 5.125 -3.526 8.730 17 HA MET 3 HA MET 3 3.058 -2.993 9.486 18 HB2 MET 3 2HB MET 3 3.842 -4.748 11.799 19 HB3 MET 3 1HB MET 3 2.201 -4.373 11.278 20 HG2 MET 3 2HG MET 3 4.159 -5.749 9.473 21 HG3 MET 3 1HG MET 3 3.173 -6.637 10.616 22 HE1 MET 3 3HE MET 3 2.431 -3.567 8.092 23 HE2 MET 3 1HE MET 3 1.728 -4.526 6.792 24 HE3 MET 3 2HE MET 3 3.405 -4.792 7.275 25 H SER 4 H SER 4 5.382 -1.385 10.375 26 HA SER 4 HA SER 4 5.209 -0.757 13.097 27 HB2 SER 4 2HB SER 4 6.267 1.148 11.050 28 HB3 SER 4 1HB SER 4 6.907 0.747 12.645 29 HG SER 4 HG SER 4 8.153 -0.597 11.629 30 H ASN 5 H ASN 5 3.223 0.247 10.476 31 HA ASN 5 HA ASN 5 1.885 2.143 12.245 32 HB2 ASN 5 2HB ASN 5 3.671 3.031 10.294 33 HB3 ASN 5 1HB ASN 5 2.076 3.282 9.594 34 HD21 ASN 5 1HD2 ASN 5 2.703 3.341 13.023 35 HD22 ASN 5 2HD2 ASN 5 2.421 5.034 13.238 36 H VAL 6 H VAL 6 1.348 -0.494 10.754 37 HA VAL 6 HA VAL 6 -0.732 0.305 8.877 38 HB VAL 6 HB VAL 6 0.801 -1.529 8.262 39 HG11 VAL 6 1HG1 VAL 6 0.601 -3.702 9.363 40 HG12 VAL 6 2HG1 VAL 6 -0.476 -2.982 10.562 41 HG13 VAL 6 3HG1 VAL 6 1.201 -2.447 10.446 42 HG21 VAL 6 3HG2 VAL 6 -1.428 -1.458 7.273 43 HG22 VAL 6 1HG2 VAL 6 -2.058 -2.421 8.607 44 HG23 VAL 6 2HG2 VAL 6 -0.887 -3.122 7.492 45 H VAL 7 H VAL 7 -2.923 -0.200 9.116 46 HA VAL 7 HA VAL 7 -3.720 -1.005 11.838 47 HB VAL 7 HB VAL 7 -4.104 1.400 11.421 48 HG11 VAL 7 1HG1 VAL 7 -4.496 1.342 9.026 49 HG12 VAL 7 2HG1 VAL 7 -5.841 2.122 9.858 50 HG13 VAL 7 3HG1 VAL 7 -6.004 0.465 9.276 51 HG21 VAL 7 3HG2 VAL 7 -6.469 1.446 12.113 52 HG22 VAL 7 1HG2 VAL 7 -5.515 0.261 13.003 53 HG23 VAL 7 2HG2 VAL 7 -6.593 -0.267 11.712 54 H LYS 8 H LYS 8 -4.268 -1.319 8.411 55 HA LYS 8 HA LYS 8 -5.911 -3.674 8.867 56 HB2 LYS 8 2HB LYS 8 -7.499 -1.729 8.750 57 HB3 LYS 8 1HB LYS 8 -6.907 -1.401 7.130 58 HG2 LYS 8 2HG LYS 8 -8.982 -2.577 6.980 59 HG3 LYS 8 1HG LYS 8 -7.685 -3.637 6.429 60 HD2 LYS 8 2HD LYS 8 -7.662 -4.718 8.644 61 HD3 LYS 8 1HD LYS 8 -9.008 -3.689 9.141 62 HE2 LYS 8 2HE LYS 8 -9.070 -5.626 6.826 63 HE3 LYS 8 1HE LYS 8 -9.717 -5.956 8.432 64 HZ1 LYS 8 3HZ LYS 8 -11.355 -4.283 8.159 65 HZ2 LYS 8 1HZ LYS 8 -11.378 -5.210 6.740 66 HZ3 LYS 8 2HZ LYS 8 -10.634 -3.689 6.746 67 H THR 9 H THR 9 -5.991 -5.052 6.961 68 HA THR 9 HA THR 9 -4.380 -4.194 4.680 69 HB THR 9 HB THR 9 -3.709 -6.625 6.349 70 HG1 THR 9 1HG THR 9 -2.919 -4.183 6.612 71 HG21 THR 9 3HG2 THR 9 -1.908 -7.029 4.725 72 HG22 THR 9 1HG2 THR 9 -2.515 -5.706 3.727 73 HG23 THR 9 2HG2 THR 9 -3.498 -7.150 3.969 74 H TYR 10 H TYR 10 -5.156 -4.952 2.794 75 HA TYR 10 HA TYR 10 -6.982 -7.268 2.887 76 HB2 TYR 10 2HB TYR 10 -7.066 -5.416 0.557 77 HB3 TYR 10 1HB TYR 10 -8.362 -6.339 1.297 78 HD1 TYR 10 2HD TYR 10 -8.942 -5.470 3.802 79 HD2 TYR 10 1HD TYR 10 -7.179 -3.156 0.702 80 HE1 TYR 10 2HE TYR 10 -9.759 -3.412 4.872 81 HE2 TYR 10 1HE TYR 10 -7.987 -1.093 1.756 82 HH TYR 10 HH TYR 10 -9.778 -0.407 3.305 83 H ASP 11 H ASP 11 -6.634 -8.901 1.382 84 HA ASP 11 HA ASP 11 -4.134 -8.814 -0.099 85 HB2 ASP 11 2HB ASP 11 -4.951 -10.905 1.096 86 HB3 ASP 11 1HB ASP 11 -6.210 -11.009 -0.127 87 H LEU 12 H LEU 12 -3.987 -8.434 -2.229 88 HA LEU 12 HA LEU 12 -6.446 -7.682 -3.599 89 HB2 LEU 12 2HB LEU 12 -3.538 -7.199 -4.168 90 HB3 LEU 12 1HB LEU 12 -4.758 -6.935 -5.393 91 HG LEU 12 HG LEU 12 -4.358 -4.817 -4.490 92 HD11 LEU 12 1HD1 LEU 12 -6.748 -5.887 -3.008 93 HD12 LEU 12 2HD1 LEU 12 -6.733 -5.312 -4.674 94 HD13 LEU 12 3HD1 LEU 12 -6.408 -4.191 -3.352 95 HD21 LEU 12 3HD2 LEU 12 -4.296 -4.328 -2.100 96 HD22 LEU 12 1HD2 LEU 12 -3.056 -5.493 -2.562 97 HD23 LEU 12 2HD2 LEU 12 -4.519 -6.042 -1.746 98 H GLN 13 H GLN 13 -7.308 -8.761 -5.230 99 HA GLN 13 HA GLN 13 -6.410 -11.333 -6.026 100 HB2 GLN 13 2HB GLN 13 -8.389 -9.386 -7.188 101 HB3 GLN 13 1HB GLN 13 -8.079 -10.949 -7.919 102 HG2 GLN 13 2HG GLN 13 -8.709 -12.005 -5.750 103 HG3 GLN 13 1HG GLN 13 -9.154 -10.405 -5.160 104 HE21 GLN 13 1HE2 GLN 13 -10.806 -12.753 -5.473 105 HE22 GLN 13 2HE2 GLN 13 -12.078 -12.329 -6.563 106 H ASP 14 H ASP 14 -5.489 -8.250 -6.763 107 HA ASP 14 HA ASP 14 -4.504 -8.403 -9.378 108 HB2 ASP 14 2HB ASP 14 -4.789 -6.299 -8.383 109 HB3 ASP 14 1HB ASP 14 -3.896 -6.758 -6.945 110 H GLY 15 H GLY 15 -3.395 -9.685 -6.380 111 HA2 GLY 15 2HA GLY 15 -1.757 -11.484 -6.455 112 HA3 GLY 15 1HA GLY 15 -0.921 -10.582 -7.715 113 H SER 16 H SER 16 -1.784 -8.210 -5.848 114 HA SER 16 HA SER 16 0.660 -8.299 -4.238 115 HB2 SER 16 2HB SER 16 -1.074 -5.912 -4.897 116 HB3 SER 16 1HB SER 16 0.561 -5.902 -4.239 117 HG SER 16 HG SER 16 -0.310 -6.551 -6.854 118 H LYS 17 H LYS 17 0.306 -6.727 -2.196 119 HA LYS 17 HA LYS 17 -2.343 -7.171 -1.033 120 HB2 LYS 17 2HB LYS 17 -0.748 -8.922 -0.187 121 HB3 LYS 17 1HB LYS 17 0.222 -7.630 0.506 122 HG2 LYS 17 2HG LYS 17 -1.614 -6.966 1.932 123 HG3 LYS 17 1HG LYS 17 -2.655 -8.187 1.198 124 HD2 LYS 17 2HD LYS 17 -0.117 -8.758 2.726 125 HD3 LYS 17 1HD LYS 17 -1.744 -8.877 3.392 126 HE2 LYS 17 2HE LYS 17 -2.278 -10.558 1.645 127 HE3 LYS 17 1HE LYS 17 -0.596 -10.494 1.120 128 HZ1 LYS 17 3HZ LYS 17 -1.688 -11.504 3.677 129 HZ2 LYS 17 1HZ LYS 17 -0.046 -11.090 3.512 130 HZ3 LYS 17 2HZ LYS 17 -0.718 -12.316 2.549 131 H VAL 18 H VAL 18 -3.036 -5.495 0.300 132 HA VAL 18 HA VAL 18 -1.279 -3.138 0.197 133 HB VAL 18 HB VAL 18 -3.278 -2.792 -1.118 134 HG11 VAL 18 1HG1 VAL 18 -5.510 -2.741 -0.092 135 HG12 VAL 18 2HG1 VAL 18 -4.823 -3.386 1.400 136 HG13 VAL 18 3HG1 VAL 18 -4.799 -4.355 -0.075 137 HG21 VAL 18 3HG2 VAL 18 -2.350 -0.892 0.061 138 HG22 VAL 18 1HG2 VAL 18 -3.349 -1.254 1.469 139 HG23 VAL 18 2HG2 VAL 18 -4.106 -0.759 -0.044 140 H HIS 19 H HIS 19 -0.504 -2.414 2.004 141 HA HIS 19 HA HIS 19 -1.801 -3.208 4.519 142 HB2 HIS 19 2HB HIS 19 0.879 -1.850 4.368 143 HB3 HIS 19 1HB HIS 19 0.258 -2.934 5.608 144 HD1 HIS 19 1HD HIS 19 -0.333 -5.476 4.203 145 HD2 HIS 19 2HD HIS 19 2.911 -3.097 3.179 146 HE1 HIS 19 1HE HIS 19 1.220 -6.976 2.909 147 HE2 HIS 19 2HE HIS 19 3.293 -5.589 2.566 148 H VAL 20 H VAL 20 -3.342 -1.738 4.921 149 HA VAL 20 HA VAL 20 -2.948 1.044 4.187 150 HB VAL 20 HB VAL 20 -5.315 0.071 5.750 151 HG11 VAL 20 1HG1 VAL 20 -6.485 1.734 4.414 152 HG12 VAL 20 2HG1 VAL 20 -5.005 2.053 3.503 153 HG13 VAL 20 3HG1 VAL 20 -5.087 2.447 5.223 154 HG21 VAL 20 3HG2 VAL 20 -4.888 -0.402 2.800 155 HG22 VAL 20 1HG2 VAL 20 -6.418 -0.609 3.653 156 HG23 VAL 20 2HG2 VAL 20 -5.042 -1.637 4.052 157 H PHE 21 H PHE 21 -2.168 2.501 5.511 158 HA PHE 21 HA PHE 21 -1.545 1.606 8.203 159 HB2 PHE 21 2HB PHE 21 -0.525 4.048 6.750 160 HB3 PHE 21 1HB PHE 21 0.107 3.358 8.237 161 HD1 PHE 21 2HD PHE 21 0.957 0.923 8.113 162 HD2 PHE 21 1HD PHE 21 0.433 3.419 4.693 163 HE1 PHE 21 2HE PHE 21 2.503 -0.496 6.842 164 HE2 PHE 21 1HE PHE 21 1.978 1.995 3.424 165 HZ PHE 21 HZ PHE 21 2.991 0.069 4.429 166 H LYS 22 H LYS 22 -1.311 3.725 9.703 167 HA LYS 22 HA LYS 22 -4.027 4.133 10.448 168 HB2 LYS 22 2HB LYS 22 -1.485 5.288 11.601 169 HB3 LYS 22 1HB LYS 22 -3.062 5.288 12.386 170 HG2 LYS 22 2HG LYS 22 -3.062 2.891 12.508 171 HG3 LYS 22 1HG LYS 22 -1.575 2.808 11.566 172 HD2 LYS 22 2HD LYS 22 -0.404 4.015 13.384 173 HD3 LYS 22 1HD LYS 22 -1.896 3.971 14.331 174 HE2 LYS 22 2HE LYS 22 -1.872 1.515 14.218 175 HE3 LYS 22 1HE LYS 22 -0.360 1.583 13.315 176 HZ1 LYS 22 3HZ LYS 22 -0.577 2.843 15.975 177 HZ2 LYS 22 1HZ LYS 22 0.808 2.294 15.167 178 HZ3 LYS 22 2HZ LYS 22 -0.285 1.179 15.832 179 H ASP 23 H ASP 23 -2.256 5.745 8.202 180 HA ASP 23 HA ASP 23 -3.294 8.407 8.725 181 HB2 ASP 23 2HB ASP 23 -1.473 7.182 6.718 182 HB3 ASP 23 1HB ASP 23 -2.347 8.633 6.237 183 H GLY 24 H GLY 24 -4.518 5.597 7.416 184 HA2 GLY 24 2HA GLY 24 -6.529 5.247 6.279 185 HA3 GLY 24 1HA GLY 24 -6.653 6.983 6.012 186 H LYS 25 H LYS 25 -3.631 6.364 5.243 187 HA LYS 25 HA LYS 25 -4.214 5.884 2.412 188 HB2 LYS 25 2HB LYS 25 -1.869 7.285 3.708 189 HB3 LYS 25 1HB LYS 25 -2.068 7.036 1.976 190 HG2 LYS 25 2HG LYS 25 -3.976 8.436 1.899 191 HG3 LYS 25 1HG LYS 25 -4.081 8.498 3.656 192 HD2 LYS 25 2HD LYS 25 -1.912 9.687 3.697 193 HD3 LYS 25 1HD LYS 25 -1.926 9.702 1.932 194 HE2 LYS 25 2HE LYS 25 -2.747 11.818 2.906 195 HE3 LYS 25 1HE LYS 25 -3.963 11.009 1.918 196 HZ1 LYS 25 3HZ LYS 25 -3.812 10.931 4.890 197 HZ2 LYS 25 1HZ LYS 25 -4.990 10.159 3.940 198 HZ3 LYS 25 2HZ LYS 25 -4.911 11.850 3.982 199 H MET 26 H MET 26 -2.522 4.558 1.247 200 HA MET 26 HA MET 26 -1.976 2.333 3.091 201 HB2 MET 26 2HB MET 26 -2.583 1.800 0.229 202 HB3 MET 26 1HB MET 26 -2.999 0.865 1.659 203 HG2 MET 26 2HG MET 26 -4.638 2.698 2.228 204 HG3 MET 26 1HG MET 26 -4.330 3.335 0.616 205 HE1 MET 26 3HE MET 26 -5.762 0.595 -1.712 206 HE2 MET 26 1HE MET 26 -4.084 0.792 -1.212 207 HE3 MET 26 2HE MET 26 -5.057 2.209 -1.598 208 H GLY 27 H GLY 27 -0.462 0.711 2.205 209 HA2 GLY 27 2HA GLY 27 1.456 1.782 0.251 210 HA3 GLY 27 1HA GLY 27 2.029 1.077 1.749 211 H MET 28 H MET 28 2.298 0.257 -1.126 212 HA MET 28 HA MET 28 0.729 -2.220 -1.062 213 HB2 MET 28 2HB MET 28 1.761 -0.902 -3.559 214 HB3 MET 28 1HB MET 28 0.440 -2.059 -3.386 215 HG2 MET 28 2HG MET 28 -0.041 0.257 -1.787 216 HG3 MET 28 1HG MET 28 0.283 0.721 -3.439 217 HE1 MET 28 3HE MET 28 -2.801 -2.618 -3.084 218 HE2 MET 28 1HE MET 28 -1.671 -2.344 -1.756 219 HE3 MET 28 2HE MET 28 -1.062 -2.772 -3.359 220 H GLU 29 H GLU 29 1.743 -3.980 -0.877 221 HA GLU 29 HA GLU 29 4.309 -4.446 -2.199 222 HB2 GLU 29 2HB GLU 29 5.199 -4.109 -0.058 223 HB3 GLU 29 1HB GLU 29 3.739 -4.652 0.753 224 HG2 GLU 29 2HG GLU 29 4.370 -6.967 -0.087 225 HG3 GLU 29 1HG GLU 29 5.943 -6.267 -0.476 226 H ASN 30 H ASN 30 4.002 -6.224 -3.420 227 HA ASN 30 HA ASN 30 1.828 -7.960 -3.168 228 HB2 ASN 30 2HB ASN 30 3.276 -9.577 -4.477 229 HB3 ASN 30 1HB ASN 30 3.009 -8.015 -5.219 230 HD21 ASN 30 1HD2 ASN 30 5.304 -10.207 -3.974 231 HD22 ASN 30 2HD2 ASN 30 6.715 -9.276 -4.312 232 H LYS 31 H LYS 31 1.562 -9.876 -2.108 233 HA LYS 31 HA LYS 31 2.442 -9.798 0.537 234 HB2 LYS 31 2HB LYS 31 1.368 -12.017 0.811 235 HB3 LYS 31 1HB LYS 31 0.346 -10.817 0.041 236 HG2 LYS 31 2HG LYS 31 1.913 -12.797 -1.569 237 HG3 LYS 31 1HG LYS 31 0.341 -13.195 -0.888 238 HD2 LYS 31 2HD LYS 31 -0.276 -10.862 -2.033 239 HD3 LYS 31 1HD LYS 31 1.057 -11.355 -3.086 240 HE2 LYS 31 2HE LYS 31 -1.042 -12.122 -4.011 241 HE3 LYS 31 1HE LYS 31 -0.079 -13.502 -3.484 242 HZ1 LYS 31 3HZ LYS 31 -2.407 -13.722 -2.856 243 HZ2 LYS 31 1HZ LYS 31 -2.329 -12.286 -1.951 244 HZ3 LYS 31 2HZ LYS 31 -1.420 -13.640 -1.483 245 H PHE 32 H PHE 32 4.082 -11.005 -2.073 246 HA PHE 32 HA PHE 32 5.662 -13.014 -0.843 247 HB2 PHE 32 2HB PHE 32 6.306 -11.254 -3.215 248 HB3 PHE 32 1HB PHE 32 7.024 -12.824 -2.855 249 HD1 PHE 32 2HD PHE 32 5.354 -14.823 -2.722 250 HD2 PHE 32 1HD PHE 32 4.482 -11.106 -4.595 251 HE1 PHE 32 2HE PHE 32 3.527 -15.885 -3.982 252 HE2 PHE 32 1HE PHE 32 2.650 -12.157 -5.851 253 HZ PHE 32 HZ PHE 32 2.172 -14.547 -5.538 254 H GLY 33 H GLY 33 5.491 -9.675 -0.424 255 HA2 GLY 33 2HA GLY 33 6.723 -8.215 0.846 256 HA3 GLY 33 1HA GLY 33 7.707 -9.589 1.364 257 H LYS 34 H LYS 34 7.082 -8.148 -1.781 258 HA LYS 34 HA LYS 34 9.987 -7.804 -2.129 259 HB2 LYS 34 2HB LYS 34 8.853 -9.506 -3.601 260 HB3 LYS 34 1HB LYS 34 7.906 -8.194 -4.277 261 HG2 LYS 34 2HG LYS 34 9.791 -8.880 -5.690 262 HG3 LYS 34 1HG LYS 34 9.857 -7.179 -5.218 263 HD2 LYS 34 2HD LYS 34 12.064 -8.179 -5.054 264 HD3 LYS 34 1HD LYS 34 11.468 -7.758 -3.448 265 HE2 LYS 34 2HE LYS 34 10.798 -10.093 -3.096 266 HE3 LYS 34 1HE LYS 34 11.421 -10.505 -4.693 267 HZ1 LYS 34 3HZ LYS 34 13.628 -9.871 -3.986 268 HZ2 LYS 34 1HZ LYS 34 12.999 -11.037 -2.924 269 HZ3 LYS 34 2HZ LYS 34 13.045 -9.408 -2.461 270 H SER 35 H SER 35 10.667 -5.920 -3.245 271 HA SER 35 HA SER 35 9.239 -3.566 -2.575 272 HB2 SER 35 2HB SER 35 11.020 -2.474 -4.044 273 HB3 SER 35 1HB SER 35 11.617 -3.418 -2.678 274 HG SER 35 HG SER 35 11.343 -4.435 -5.318 275 H MET 36 H MET 36 7.399 -2.976 -3.568 276 HA MET 36 HA MET 36 7.190 -3.503 -6.440 277 HB2 MET 36 2HB MET 36 5.984 -5.200 -5.072 278 HB3 MET 36 1HB MET 36 4.990 -3.911 -4.409 279 HG2 MET 36 2HG MET 36 5.108 -4.130 -7.336 280 HG3 MET 36 1HG MET 36 4.263 -5.411 -6.483 281 HE1 MET 36 3HE MET 36 2.165 -5.104 -5.058 282 HE2 MET 36 1HE MET 36 1.386 -3.557 -4.707 283 HE3 MET 36 2HE MET 36 2.966 -3.931 -4.011 284 H ASN 37 H ASN 37 6.319 -2.058 -7.679 285 HA ASN 37 HA ASN 37 5.335 0.425 -6.434 286 HB2 ASN 37 2HB ASN 37 6.697 0.114 -9.130 287 HB3 ASN 37 1HB ASN 37 6.169 1.624 -8.401 288 HD21 ASN 37 1HD2 ASN 37 7.867 -1.069 -6.872 289 HD22 ASN 37 2HD2 ASN 37 9.273 -0.177 -6.433 290 H MET 38 H MET 38 3.543 1.460 -7.503 291 HA MET 38 HA MET 38 2.063 -0.313 -9.329 292 HB2 MET 38 2HB MET 38 1.558 -0.300 -6.613 293 HB3 MET 38 1HB MET 38 0.402 0.872 -7.234 294 HG2 MET 38 2HG MET 38 -0.602 -0.705 -8.661 295 HG3 MET 38 1HG MET 38 0.703 -1.867 -8.409 296 HE1 MET 38 3HE MET 38 -2.450 -3.508 -6.689 297 HE2 MET 38 1HE MET 38 -1.234 -3.690 -7.954 298 HE3 MET 38 2HE MET 38 -2.487 -2.456 -8.105 299 HA PRO 39 HA PRO 39 1.364 3.488 -11.473 300 HB2 PRO 39 2HB PRO 39 -0.971 2.661 -12.736 301 HB3 PRO 39 1HB PRO 39 0.666 2.388 -13.334 302 HG2 PRO 39 2HG PRO 39 -1.136 0.546 -11.830 303 HG3 PRO 39 1HG PRO 39 -0.008 0.185 -13.152 304 HD2 PRO 39 2HD PRO 39 0.592 -0.403 -10.607 305 HD3 PRO 39 1HD PRO 39 1.834 0.170 -11.740 306 H GLU 40 H GLU 40 0.563 5.260 -10.598 307 HA GLU 40 HA GLU 40 -1.523 5.330 -8.690 308 HB2 GLU 40 2HB GLU 40 0.282 7.047 -8.911 309 HB3 GLU 40 1HB GLU 40 -0.460 7.595 -10.407 310 HG2 GLU 40 2HG GLU 40 -2.532 8.089 -9.092 311 HG3 GLU 40 1HG GLU 40 -1.599 7.755 -7.632 312 H GLY 41 H GLY 41 -3.586 4.987 -9.079 313 HA2 GLY 41 2HA GLY 41 -5.658 5.687 -10.021 314 HA3 GLY 41 1HA GLY 41 -4.803 6.158 -11.481 315 H LYS 42 H LYS 42 -4.174 3.088 -9.935 316 HA LYS 42 HA LYS 42 -5.589 1.788 -12.158 317 HB2 LYS 42 2HB LYS 42 -4.126 -0.051 -11.996 318 HB3 LYS 42 1HB LYS 42 -3.097 1.368 -11.870 319 HG2 LYS 42 2HG LYS 42 -2.215 0.440 -10.055 320 HG3 LYS 42 1HG LYS 42 -3.757 0.731 -9.240 321 HD2 LYS 42 2HD LYS 42 -3.139 -1.601 -9.011 322 HD3 LYS 42 1HD LYS 42 -4.560 -1.462 -10.046 323 HE2 LYS 42 2HE LYS 42 -2.973 -1.542 -12.015 324 HE3 LYS 42 1HE LYS 42 -1.705 -1.980 -10.865 325 HZ1 LYS 42 3HZ LYS 42 -2.828 -3.889 -12.011 326 HZ2 LYS 42 1HZ LYS 42 -4.235 -3.506 -11.152 327 HZ3 LYS 42 2HZ LYS 42 -2.839 -3.980 -10.318 328 H VAL 43 H VAL 43 -6.589 -0.333 -11.608 329 HA VAL 43 HA VAL 43 -8.230 0.077 -9.241 330 HB VAL 43 HB VAL 43 -8.525 -1.925 -11.487 331 HG11 VAL 43 1HG1 VAL 43 -9.585 -2.720 -9.458 332 HG12 VAL 43 2HG1 VAL 43 -10.811 -2.221 -10.624 333 HG13 VAL 43 3HG1 VAL 43 -10.415 -1.176 -9.259 334 HG21 VAL 43 3HG2 VAL 43 -10.303 -0.477 -12.299 335 HG22 VAL 43 1HG2 VAL 43 -8.771 0.394 -12.234 336 HG23 VAL 43 2HG2 VAL 43 -9.992 0.662 -10.989 337 H MET 44 H MET 44 -7.855 -0.925 -7.416 338 HA MET 44 HA MET 44 -6.521 -3.550 -7.485 339 HB2 MET 44 2HB MET 44 -6.559 -1.389 -5.390 340 HB3 MET 44 1HB MET 44 -6.107 -3.041 -5.003 341 HG2 MET 44 2HG MET 44 -4.045 -2.632 -5.658 342 HG3 MET 44 1HG MET 44 -4.632 -2.272 -7.280 343 HE1 MET 44 3HE MET 44 -6.238 0.051 -4.796 344 HE2 MET 44 1HE MET 44 -4.983 1.198 -4.329 345 HE3 MET 44 2HE MET 44 -4.914 -0.469 -3.754 346 H GLU 45 H GLU 45 -8.139 -5.024 -7.515 347 HA GLU 45 HA GLU 45 -10.456 -4.622 -5.796 348 HB2 GLU 45 2HB GLU 45 -10.593 -5.482 -8.200 349 HB3 GLU 45 1HB GLU 45 -9.947 -6.995 -7.580 350 HG2 GLU 45 2HG GLU 45 -11.839 -7.225 -6.090 351 HG3 GLU 45 1HG GLU 45 -12.479 -5.675 -6.631 352 H THR 46 H THR 46 -10.504 -5.371 -3.809 353 HA THR 46 HA THR 46 -8.391 -7.005 -2.789 354 HB THR 46 HB THR 46 -9.407 -6.746 -0.635 355 HG1 THR 46 1HG THR 46 -11.497 -6.372 -0.352 356 HG21 THR 46 3HG2 THR 46 -8.296 -4.756 -1.536 357 HG22 THR 46 1HG2 THR 46 -9.640 -4.320 -0.482 358 HG23 THR 46 2HG2 THR 46 -9.825 -4.218 -2.234 359 H ARG 47 H ARG 47 -9.136 -8.858 -1.185 360 HA ARG 47 HA ARG 47 -10.222 -10.971 -2.674 361 HB2 ARG 47 2HB ARG 47 -9.891 -10.633 0.309 362 HB3 ARG 47 1HB ARG 47 -10.444 -12.126 -0.432 363 HG2 ARG 47 2HG ARG 47 -7.765 -10.795 -0.739 364 HG3 ARG 47 1HG ARG 47 -8.128 -12.337 0.040 365 HD2 ARG 47 2HD ARG 47 -8.254 -11.661 -2.886 366 HD3 ARG 47 1HD ARG 47 -7.200 -12.827 -2.088 367 HE ARG 47 HE ARG 47 -9.794 -13.649 -1.588 368 HH11 ARG 47 1HH1 ARG 47 -7.657 -13.272 -4.334 369 HH12 ARG 47 2HH1 ARG 47 -8.553 -14.376 -5.344 370 HH21 ARG 47 1HH2 ARG 47 -10.971 -15.106 -2.907 371 HH22 ARG 47 2HH2 ARG 47 -10.436 -15.414 -4.533 372 H ASP 48 H ASP 48 -11.735 -8.458 -0.881 373 HA ASP 48 HA ASP 48 -14.263 -9.824 -0.539 374 HB2 ASP 48 2HB ASP 48 -13.912 -6.848 -0.317 375 HB3 ASP 48 1HB ASP 48 -14.997 -7.901 0.582 376 H GLY 49 H GLY 49 -12.711 -8.559 -3.145 377 HA2 GLY 49 2HA GLY 49 -13.484 -8.039 -5.267 378 HA3 GLY 49 1HA GLY 49 -15.131 -8.185 -4.666 379 H THR 50 H THR 50 -12.884 -6.208 -2.973 380 HA THR 50 HA THR 50 -14.532 -3.867 -3.509 381 HB THR 50 HB THR 50 -12.168 -4.147 -1.637 382 HG1 THR 50 1HG THR 50 -14.200 -5.531 -1.345 383 HG21 THR 50 3HG2 THR 50 -14.433 -2.145 -1.740 384 HG22 THR 50 1HG2 THR 50 -12.749 -1.835 -2.162 385 HG23 THR 50 2HG2 THR 50 -13.185 -2.214 -0.495 386 H LYS 51 H LYS 51 -14.015 -2.509 -5.075 387 HA LYS 51 HA LYS 51 -11.365 -2.581 -6.227 388 HB2 LYS 51 2HB LYS 51 -13.929 -1.221 -7.016 389 HB3 LYS 51 1HB LYS 51 -12.415 -0.956 -7.845 390 HG2 LYS 51 2HG LYS 51 -12.322 -3.460 -8.203 391 HG3 LYS 51 1HG LYS 51 -14.005 -3.485 -7.664 392 HD2 LYS 51 2HD LYS 51 -14.546 -1.842 -9.444 393 HD3 LYS 51 1HD LYS 51 -12.879 -1.967 -10.015 394 HE2 LYS 51 2HE LYS 51 -13.224 -4.380 -10.393 395 HE3 LYS 51 1HE LYS 51 -14.905 -4.201 -9.891 396 HZ1 LYS 51 3HZ LYS 51 -14.838 -4.147 -12.251 397 HZ2 LYS 51 1HZ LYS 51 -13.597 -2.988 -12.265 398 HZ3 LYS 51 2HZ LYS 51 -15.152 -2.565 -11.729 399 H ILE 52 H ILE 52 -9.851 -1.349 -5.433 400 HA ILE 52 HA ILE 52 -10.585 1.260 -4.290 401 HB ILE 52 HB ILE 52 -8.183 -0.473 -3.662 402 HG12 ILE 52 2HG1 ILE 52 -10.630 0.150 -1.989 403 HG13 ILE 52 1HG1 ILE 52 -10.358 -1.365 -2.844 404 HG21 ILE 52 1HG2 ILE 52 -7.718 1.923 -3.436 405 HG22 ILE 52 2HG2 ILE 52 -7.735 1.112 -1.868 406 HG23 ILE 52 3HG2 ILE 52 -9.116 2.089 -2.373 407 HD11 ILE 52 3HD1 ILE 52 -9.838 -1.590 -0.498 408 HD12 ILE 52 1HD1 ILE 52 -8.680 -0.264 -0.605 409 HD13 ILE 52 2HD1 ILE 52 -8.378 -1.770 -1.473 410 H ILE 53 H ILE 53 -9.936 2.989 -5.376 411 HA ILE 53 HA ILE 53 -8.101 2.702 -7.603 412 HB ILE 53 HB ILE 53 -9.757 5.013 -6.599 413 HG12 ILE 53 2HG1 ILE 53 -10.661 4.852 -8.968 414 HG13 ILE 53 1HG1 ILE 53 -9.743 3.363 -9.135 415 HG21 ILE 53 1HG2 ILE 53 -7.638 5.965 -7.303 416 HG22 ILE 53 2HG2 ILE 53 -8.899 6.355 -8.474 417 HG23 ILE 53 3HG2 ILE 53 -7.726 5.088 -8.831 418 HD11 ILE 53 3HD1 ILE 53 -11.024 2.395 -7.280 419 HD12 ILE 53 1HD1 ILE 53 -12.048 2.887 -8.629 420 HD13 ILE 53 2HD1 ILE 53 -11.966 3.883 -7.176 421 H MET 54 H MET 54 -6.013 3.083 -7.532 422 HA MET 54 HA MET 54 -4.835 4.011 -5.043 423 HB2 MET 54 2HB MET 54 -4.006 2.001 -6.334 424 HB3 MET 54 1HB MET 54 -3.425 3.117 -7.557 425 HG2 MET 54 2HG MET 54 -1.924 4.141 -6.024 426 HG3 MET 54 1HG MET 54 -2.585 3.222 -4.682 427 HE1 MET 54 3HE MET 54 0.468 3.381 -5.083 428 HE2 MET 54 1HE MET 54 0.913 1.693 -4.844 429 HE3 MET 54 2HE MET 54 -0.345 2.425 -3.838 430 H LYS 55 H LYS 55 -5.830 6.259 -5.606 431 HA LYS 55 HA LYS 55 -3.633 7.756 -6.828 432 HB2 LYS 55 2HB LYS 55 -5.741 7.411 -8.355 433 HB3 LYS 55 1HB LYS 55 -6.419 8.696 -7.362 434 HG2 LYS 55 2HG LYS 55 -4.571 10.160 -7.966 435 HG3 LYS 55 1HG LYS 55 -3.858 8.872 -8.937 436 HD2 LYS 55 2HD LYS 55 -6.048 8.857 -10.234 437 HD3 LYS 55 1HD LYS 55 -6.413 10.379 -9.418 438 HE2 LYS 55 2HE LYS 55 -4.099 9.788 -11.256 439 HE3 LYS 55 1HE LYS 55 -5.441 10.895 -11.540 440 HZ1 LYS 55 3HZ LYS 55 -4.625 12.195 -9.601 441 HZ2 LYS 55 1HZ LYS 55 -3.549 12.167 -10.912 442 HZ3 LYS 55 2HZ LYS 55 -3.250 11.197 -9.558 443 H GLY 56 H GLY 56 -6.683 9.220 -5.912 444 HA2 GLY 56 2HA GLY 56 -5.352 10.926 -4.041 445 HA3 GLY 56 1HA GLY 56 -7.080 10.875 -4.357 446 H ASN 57 H ASN 57 -7.088 7.956 -3.808 447 HA ASN 57 HA ASN 57 -7.670 8.105 -1.022 448 HB2 ASN 57 2HB ASN 57 -9.004 6.652 -2.409 449 HB3 ASN 57 1HB ASN 57 -7.578 5.778 -2.955 450 HD21 ASN 57 1HD2 ASN 57 -6.732 4.179 -1.701 451 HD22 ASN 57 2HD2 ASN 57 -7.488 3.595 -0.261 452 H GLU 58 H GLU 58 -4.866 7.344 -2.854 453 HA GLU 58 HA GLU 58 -3.539 6.442 -0.409 454 HB2 GLU 58 2HB GLU 58 -4.092 4.504 -1.944 455 HB3 GLU 58 1HB GLU 58 -2.970 5.211 -3.102 456 HG2 GLU 58 2HG GLU 58 -1.205 5.098 -1.355 457 HG3 GLU 58 1HG GLU 58 -2.348 4.227 -0.338 458 H ILE 59 H ILE 59 -2.844 8.589 -0.294 459 HA ILE 59 HA ILE 59 -1.119 9.648 -2.350 460 HB ILE 59 HB ILE 59 -1.837 10.679 0.397 461 HG12 ILE 59 2HG1 ILE 59 -3.717 10.619 -1.178 462 HG13 ILE 59 1HG1 ILE 59 -3.247 12.278 -0.816 463 HG21 ILE 59 1HG2 ILE 59 -0.875 12.818 -0.314 464 HG22 ILE 59 2HG2 ILE 59 -0.322 12.066 -1.809 465 HG23 ILE 59 3HG2 ILE 59 0.338 11.539 -0.259 466 HD11 ILE 59 3HD1 ILE 59 -3.750 12.030 -3.161 467 HD12 ILE 59 1HD1 ILE 59 -2.565 10.731 -3.307 468 HD13 ILE 59 2HD1 ILE 59 -2.033 12.374 -2.946 469 H PHE 60 H PHE 60 -0.770 7.838 0.590 470 HA PHE 60 HA PHE 60 1.880 8.690 1.213 471 HB2 PHE 60 2HB PHE 60 0.334 7.786 2.918 472 HB3 PHE 60 1HB PHE 60 0.398 6.213 2.132 473 HD1 PHE 60 1HD PHE 60 2.687 8.774 3.584 474 HD2 PHE 60 2HD PHE 60 1.860 4.647 2.955 475 HE1 PHE 60 1HE PHE 60 4.631 8.177 4.969 476 HE2 PHE 60 2HE PHE 60 3.804 4.042 4.335 477 HZ PHE 60 HZ PHE 60 5.193 5.809 5.346 478 H ARG 61 H ARG 61 0.712 5.476 0.164 479 HA ARG 61 HA ARG 61 1.601 3.854 -1.124 480 HB2 ARG 61 2HB ARG 61 3.162 6.171 -2.257 481 HB3 ARG 61 1HB ARG 61 3.261 4.534 -2.900 482 HG2 ARG 61 2HG ARG 61 0.888 4.555 -3.394 483 HG3 ARG 61 1HG ARG 61 0.737 6.165 -2.687 484 HD2 ARG 61 2HD ARG 61 2.526 5.523 -5.022 485 HD3 ARG 61 1HD ARG 61 0.867 6.096 -5.192 486 HE ARG 61 HE ARG 61 2.762 7.710 -3.646 487 HH11 ARG 61 1HH1 ARG 61 0.836 7.237 -6.502 488 HH12 ARG 61 2HH1 ARG 61 0.909 8.899 -7.014 489 HH21 ARG 61 1HH2 ARG 61 2.915 9.903 -4.295 490 HH22 ARG 61 2HH2 ARG 61 2.121 10.419 -5.760 491 H LEU 62 H LEU 62 3.925 2.874 -1.796 492 HA LEU 62 HA LEU 62 5.357 2.863 0.774 493 HB2 LEU 62 2HB LEU 62 3.947 0.873 0.366 494 HB3 LEU 62 1HB LEU 62 4.902 0.520 -1.061 495 HG LEU 62 HG LEU 62 6.904 0.271 0.391 496 HD11 LEU 62 1HD1 LEU 62 6.116 1.682 2.243 497 HD12 LEU 62 2HD1 LEU 62 6.630 0.086 2.789 498 HD13 LEU 62 3HD1 LEU 62 4.911 0.459 2.647 499 HD21 LEU 62 3HD2 LEU 62 5.658 -1.683 -0.310 500 HD22 LEU 62 1HD2 LEU 62 4.548 -1.491 1.048 501 HD23 LEU 62 2HD2 LEU 62 6.239 -1.895 1.342 502 H ASP 63 H ASP 63 6.314 0.960 -2.005 503 HA ASP 63 HA ASP 63 9.020 1.572 -1.513 504 HB2 ASP 63 2HB ASP 63 8.201 -0.563 -2.500 505 HB3 ASP 63 1HB ASP 63 7.866 0.300 -3.998 506 H GLU 64 H GLU 64 6.844 2.567 -4.126 507 HA GLU 64 HA GLU 64 8.798 4.063 -5.532 508 HB2 GLU 64 2HB GLU 64 6.870 5.027 -6.738 509 HB3 GLU 64 1HB GLU 64 6.854 3.275 -6.675 510 HG2 GLU 64 2HG GLU 64 5.222 3.359 -4.853 511 HG3 GLU 64 1HG GLU 64 5.218 5.120 -4.961 512 H ALA 65 H ALA 65 7.133 4.707 -2.671 513 HA ALA 65 HA ALA 65 7.170 7.572 -2.994 514 HB1 ALA 65 1HB ALA 65 6.331 7.648 -0.700 515 HB2 ALA 65 2HB ALA 65 6.588 5.910 -0.545 516 HB3 ALA 65 3HB ALA 65 5.389 6.525 -1.683 517 H LEU 66 H LEU 66 9.147 5.059 -1.694 518 HA LEU 66 HA LEU 66 10.921 6.911 -0.325 519 HB2 LEU 66 2HB LEU 66 11.026 3.909 -0.638 520 HB3 LEU 66 1HB LEU 66 12.095 4.864 0.363 521 HG LEU 66 HG LEU 66 9.121 4.584 0.773 522 HD11 LEU 66 1HD1 LEU 66 11.437 3.408 2.300 523 HD12 LEU 66 2HD1 LEU 66 10.318 2.521 1.267 524 HD13 LEU 66 3HD1 LEU 66 9.737 3.283 2.748 525 HD21 LEU 66 3HD2 LEU 66 9.988 6.754 1.508 526 HD22 LEU 66 1HD2 LEU 66 11.215 5.933 2.474 527 HD23 LEU 66 2HD2 LEU 66 9.508 5.749 2.877 528 H ARG 67 H ARG 67 11.057 4.479 -2.910 529 HA ARG 67 HA ARG 67 12.519 4.086 -4.595 530 HB2 ARG 67 2HB ARG 67 12.740 7.103 -4.532 531 HB3 ARG 67 1HB ARG 67 13.312 6.079 -5.844 532 HG2 ARG 67 2HG ARG 67 11.037 5.305 -6.242 533 HG3 ARG 67 1HG ARG 67 10.459 6.304 -4.910 534 HD2 ARG 67 2HD ARG 67 11.272 8.307 -6.121 535 HD3 ARG 67 1HD ARG 67 11.714 7.268 -7.476 536 HE ARG 67 HE ARG 67 8.950 7.160 -6.555 537 HH11 ARG 67 1HH1 ARG 67 11.254 8.382 -8.897 538 HH12 ARG 67 2HH1 ARG 67 10.046 8.696 -10.108 539 HH21 ARG 67 1HH2 ARG 67 7.350 7.583 -8.136 540 HH22 ARG 67 2HH2 ARG 67 7.821 8.273 -9.665 541 H LYS 68 H LYS 68 13.771 3.171 -2.722 542 HA LYS 68 HA LYS 68 16.050 4.505 -1.705 543 HB2 LYS 68 2HB LYS 68 16.060 1.530 -1.942 544 HB3 LYS 68 1HB LYS 68 16.560 2.541 -0.599 545 HG2 LYS 68 2HG LYS 68 14.683 1.476 0.219 546 HG3 LYS 68 1HG LYS 68 14.038 3.028 -0.319 547 HD2 LYS 68 2HD LYS 68 12.602 1.150 -1.001 548 HD3 LYS 68 1HD LYS 68 13.266 2.009 -2.394 549 HE2 LYS 68 2HE LYS 68 15.079 0.255 -2.460 550 HE3 LYS 68 1HE LYS 68 14.151 -0.638 -1.256 551 HZ1 LYS 68 3HZ LYS 68 13.642 -1.459 -3.441 552 HZ2 LYS 68 1HZ LYS 68 13.249 0.096 -3.985 553 HZ3 LYS 68 2HZ LYS 68 12.272 -0.655 -2.830 554 H GLY 69 H GLY 69 18.183 4.427 -2.329 555 HA2 GLY 69 2HA GLY 69 19.551 2.816 -3.970 556 HA3 GLY 69 1HA GLY 69 18.621 3.752 -5.131 557 H HIS 70 H HIS 70 18.956 5.917 -2.802 558 HA HIS 70 HA HIS 70 21.037 7.301 -4.194 559 HB2 HIS 70 2HB HIS 70 19.145 8.506 -3.168 560 HB3 HIS 70 1HB HIS 70 19.694 8.001 -1.571 561 HD1 HIS 70 1HD HIS 70 21.513 9.378 -0.482 562 HD2 HIS 70 2HD HIS 70 20.884 10.374 -4.468 563 HE1 HIS 70 1HE HIS 70 22.979 11.366 -0.921 564 HE2 HIS 70 2HE HIS 70 22.344 12.122 -3.246 565 H SER 71 H SER 71 23.049 6.671 -4.024 566 HA SER 71 HA SER 71 25.074 6.112 -3.188 567 HB2 SER 71 2HB SER 71 23.982 7.168 -0.570 568 HB3 SER 71 1HB SER 71 25.684 6.923 -0.966 569 HG SER 71 HG SER 71 25.046 8.392 -2.869 570 H GLU 72 H GLU 72 22.552 4.398 -2.855 571 HA GLU 72 HA GLU 72 21.910 2.374 -2.080 572 HB2 GLU 72 2HB GLU 72 24.600 2.142 -2.696 573 HB3 GLU 72 1HB GLU 72 24.495 1.469 -1.075 574 HG2 GLU 72 2HG GLU 72 22.889 0.606 -3.467 575 HG3 GLU 72 1HG GLU 72 24.251 -0.256 -2.757 576 H GLY 73 H GLY 73 22.224 4.735 -0.243 577 HA2 GLY 73 2HA GLY 73 22.447 3.321 2.328 578 HA3 GLY 73 1HA GLY 73 22.516 5.065 2.110 579 H GLY 74 H GLY 74 20.248 5.099 0.287 580 HA2 GLY 74 2HA GLY 74 17.931 3.984 1.364 581 HA3 GLY 74 1HA GLY 74 18.187 5.543 2.144 Start of MODEL 7 1 H1 VAL 1 1HT VAL 1 8.186 -6.034 5.767 2 H2 VAL 1 2HT VAL 1 7.624 -5.184 4.414 3 H3 VAL 1 3HT VAL 1 6.535 -6.066 5.368 4 HA VAL 1 HA VAL 1 8.016 -3.619 6.165 5 HB VAL 1 HB VAL 1 5.030 -4.082 6.033 6 HG11 VAL 1 2HG1 VAL 1 6.643 -1.542 6.219 7 HG12 VAL 1 3HG1 VAL 1 5.748 -2.300 7.536 8 HG13 VAL 1 1HG1 VAL 1 4.883 -1.651 6.142 9 HG21 VAL 1 1HG2 VAL 1 5.029 -2.749 3.970 10 HG22 VAL 1 2HG2 VAL 1 5.883 -4.281 3.784 11 HG23 VAL 1 3HG2 VAL 1 6.794 -2.783 3.967 12 H ASP 2 H ASP 2 7.556 -2.863 8.264 13 HA ASP 2 HA ASP 2 7.748 -4.852 10.245 14 HB2 ASP 2 2HB ASP 2 7.664 -2.901 11.793 15 HB3 ASP 2 1HB ASP 2 8.860 -2.737 10.517 16 H MET 3 H MET 3 5.149 -3.472 8.748 17 HA MET 3 HA MET 3 2.905 -3.360 9.057 18 HB2 MET 3 2HB MET 3 3.530 -5.899 10.555 19 HB3 MET 3 1HB MET 3 1.925 -5.418 10.025 20 HG2 MET 3 2HG MET 3 4.204 -5.715 8.097 21 HG3 MET 3 1HG MET 3 3.212 -7.079 8.580 22 HE1 MET 3 3HE MET 3 2.508 -3.268 7.610 23 HE2 MET 3 1HE MET 3 1.866 -3.513 5.987 24 HE3 MET 3 2HE MET 3 3.539 -3.943 6.349 25 H SER 4 H SER 4 4.601 -2.083 11.228 26 HA SER 4 HA SER 4 2.828 -2.256 13.525 27 HB2 SER 4 2HB SER 4 5.198 -2.038 13.991 28 HB3 SER 4 1HB SER 4 5.303 -0.589 12.994 29 HG SER 4 HG SER 4 3.788 -0.853 15.396 30 H ASN 5 H ASN 5 3.516 -0.148 10.832 31 HA ASN 5 HA ASN 5 1.931 2.032 11.801 32 HB2 ASN 5 2HB ASN 5 3.971 2.044 10.189 33 HB3 ASN 5 1HB ASN 5 2.784 1.657 8.951 34 HD21 ASN 5 1HD2 ASN 5 4.492 4.004 9.452 35 HD22 ASN 5 2HD2 ASN 5 3.413 5.354 9.465 36 H VAL 6 H VAL 6 1.351 -0.825 9.915 37 HA VAL 6 HA VAL 6 -0.826 0.215 8.397 38 HB VAL 6 HB VAL 6 0.496 -1.706 7.620 39 HG11 VAL 6 1HG1 VAL 6 0.137 -3.924 8.583 40 HG12 VAL 6 2HG1 VAL 6 -0.842 -3.206 9.861 41 HG13 VAL 6 3HG1 VAL 6 0.874 -2.814 9.740 42 HG21 VAL 6 3HG2 VAL 6 -2.425 -2.335 8.028 43 HG22 VAL 6 1HG2 VAL 6 -1.364 -3.099 6.844 44 HG23 VAL 6 2HG2 VAL 6 -1.735 -1.378 6.714 45 H VAL 7 H VAL 7 -3.002 0.078 8.716 46 HA VAL 7 HA VAL 7 -3.870 -0.977 11.327 47 HB VAL 7 HB VAL 7 -4.119 1.463 11.169 48 HG11 VAL 7 1HG1 VAL 7 -5.728 2.470 9.631 49 HG12 VAL 7 2HG1 VAL 7 -5.981 0.901 8.868 50 HG13 VAL 7 3HG1 VAL 7 -4.405 1.687 8.765 51 HG21 VAL 7 3HG2 VAL 7 -6.746 -0.019 11.165 52 HG22 VAL 7 1HG2 VAL 7 -6.486 1.603 11.806 53 HG23 VAL 7 2HG2 VAL 7 -5.680 0.223 12.550 54 H LYS 8 H LYS 8 -4.480 -0.857 7.886 55 HA LYS 8 HA LYS 8 -6.248 -3.169 8.153 56 HB2 LYS 8 2HB LYS 8 -7.669 -1.105 8.031 57 HB3 LYS 8 1HB LYS 8 -6.966 -0.767 6.456 58 HG2 LYS 8 2HG LYS 8 -9.098 -1.775 6.126 59 HG3 LYS 8 1HG LYS 8 -7.864 -2.947 5.663 60 HD2 LYS 8 2HD LYS 8 -8.118 -4.086 7.793 61 HD3 LYS 8 1HD LYS 8 -9.297 -2.882 8.313 62 HE2 LYS 8 2HE LYS 8 -10.794 -3.553 6.503 63 HE3 LYS 8 1HE LYS 8 -9.612 -4.742 5.958 64 HZ1 LYS 8 3HZ LYS 8 -10.989 -4.745 8.593 65 HZ2 LYS 8 1HZ LYS 8 -9.841 -5.885 8.076 66 HZ3 LYS 8 2HZ LYS 8 -11.337 -5.772 7.286 67 H THR 9 H THR 9 -5.705 -4.688 6.762 68 HA THR 9 HA THR 9 -4.105 -3.921 4.411 69 HB THR 9 HB THR 9 -3.963 -6.469 6.034 70 HG1 THR 9 1HG THR 9 -2.624 -5.269 7.139 71 HG21 THR 9 3HG2 THR 9 -2.075 -7.064 4.581 72 HG22 THR 9 1HG2 THR 9 -2.366 -5.618 3.614 73 HG23 THR 9 2HG2 THR 9 -3.571 -6.906 3.658 74 H TYR 10 H TYR 10 -5.001 -4.358 2.502 75 HA TYR 10 HA TYR 10 -7.101 -6.420 2.381 76 HB2 TYR 10 2HB TYR 10 -6.553 -4.316 0.284 77 HB3 TYR 10 1HB TYR 10 -7.972 -5.341 0.437 78 HD1 TYR 10 2HD TYR 10 -9.341 -5.013 2.672 79 HD2 TYR 10 1HD TYR 10 -6.658 -2.146 1.042 80 HE1 TYR 10 2HE TYR 10 -10.490 -3.236 3.926 81 HE2 TYR 10 1HE TYR 10 -7.795 -0.357 2.282 82 HH TYR 10 HH TYR 10 -10.035 0.052 3.283 83 H ASP 11 H ASP 11 -6.977 -8.004 0.762 84 HA ASP 11 HA ASP 11 -4.257 -8.415 -0.244 85 HB2 ASP 11 2HB ASP 11 -6.508 -10.231 0.467 86 HB3 ASP 11 1HB ASP 11 -5.404 -10.755 -0.802 87 H LEU 12 H LEU 12 -3.834 -7.955 -2.283 88 HA LEU 12 HA LEU 12 -5.976 -7.509 -4.154 89 HB2 LEU 12 2HB LEU 12 -2.989 -7.250 -4.286 90 HB3 LEU 12 1HB LEU 12 -3.961 -7.159 -5.737 91 HG LEU 12 HG LEU 12 -3.655 -4.938 -5.188 92 HD11 LEU 12 1HD1 LEU 12 -5.791 -4.078 -4.371 93 HD12 LEU 12 2HD1 LEU 12 -6.223 -5.697 -3.825 94 HD13 LEU 12 3HD1 LEU 12 -6.004 -5.376 -5.546 95 HD21 LEU 12 3HD2 LEU 12 -3.784 -3.963 -2.981 96 HD22 LEU 12 1HD2 LEU 12 -2.592 -5.266 -3.022 97 HD23 LEU 12 2HD2 LEU 12 -4.174 -5.544 -2.291 98 H GLN 13 H GLN 13 -6.643 -8.833 -5.723 99 HA GLN 13 HA GLN 13 -6.087 -11.594 -5.496 100 HB2 GLN 13 2HB GLN 13 -7.549 -10.054 -7.636 101 HB3 GLN 13 1HB GLN 13 -7.520 -11.806 -7.521 102 HG2 GLN 13 2HG GLN 13 -8.568 -11.630 -5.282 103 HG3 GLN 13 1HG GLN 13 -8.687 -9.887 -5.518 104 HE21 GLN 13 1HE2 GLN 13 -10.908 -9.854 -5.446 105 HE22 GLN 13 2HE2 GLN 13 -11.894 -10.494 -6.721 106 H ASP 14 H ASP 14 -4.612 -9.118 -7.358 107 HA ASP 14 HA ASP 14 -3.641 -10.797 -9.470 108 HB2 ASP 14 2HB ASP 14 -2.581 -8.894 -10.323 109 HB3 ASP 14 1HB ASP 14 -3.999 -8.234 -9.514 110 H GLY 15 H GLY 15 -2.805 -10.470 -6.260 111 HA2 GLY 15 2HA GLY 15 -1.118 -12.055 -5.462 112 HA3 GLY 15 1HA GLY 15 -0.108 -11.541 -6.806 113 H SER 16 H SER 16 -1.533 -8.797 -5.829 114 HA SER 16 HA SER 16 0.785 -8.023 -4.252 115 HB2 SER 16 2HB SER 16 -1.512 -6.266 -5.115 116 HB3 SER 16 1HB SER 16 0.113 -5.777 -4.647 117 HG SER 16 HG SER 16 -0.804 -6.896 -7.044 118 H LYS 17 H LYS 17 0.120 -6.273 -2.497 119 HA LYS 17 HA LYS 17 -2.284 -6.992 -1.036 120 HB2 LYS 17 2HB LYS 17 -0.094 -8.425 -0.435 121 HB3 LYS 17 1HB LYS 17 0.269 -7.004 0.524 122 HG2 LYS 17 2HG LYS 17 -1.856 -7.303 1.734 123 HG3 LYS 17 1HG LYS 17 -2.158 -8.771 0.793 124 HD2 LYS 17 2HD LYS 17 -0.012 -9.697 1.633 125 HD3 LYS 17 1HD LYS 17 0.177 -8.267 2.645 126 HE2 LYS 17 2HE LYS 17 -0.708 -9.819 4.112 127 HE3 LYS 17 1HE LYS 17 -2.133 -8.922 3.596 128 HZ1 LYS 17 3HZ LYS 17 -2.590 -11.262 3.576 129 HZ2 LYS 17 1HZ LYS 17 -1.259 -11.577 2.578 130 HZ3 LYS 17 2HZ LYS 17 -2.585 -10.706 1.980 131 H VAL 18 H VAL 18 -3.105 -5.136 -0.174 132 HA VAL 18 HA VAL 18 -1.297 -2.823 -0.226 133 HB VAL 18 HB VAL 18 -3.166 -2.472 -1.692 134 HG11 VAL 18 1HG1 VAL 18 -5.476 -2.473 -0.923 135 HG12 VAL 18 2HG1 VAL 18 -4.949 -3.010 0.671 136 HG13 VAL 18 3HG1 VAL 18 -4.733 -4.060 -0.729 137 HG21 VAL 18 3HG2 VAL 18 -3.530 -0.885 0.849 138 HG22 VAL 18 1HG2 VAL 18 -4.145 -0.436 -0.742 139 HG23 VAL 18 2HG2 VAL 18 -2.406 -0.517 -0.462 140 H HIS 19 H HIS 19 -0.518 -2.223 1.588 141 HA HIS 19 HA HIS 19 -1.975 -2.862 4.049 142 HB2 HIS 19 2HB HIS 19 0.837 -1.795 3.983 143 HB3 HIS 19 1HB HIS 19 0.070 -2.796 5.206 144 HD1 HIS 19 1HD HIS 19 -0.606 -5.349 4.003 145 HD2 HIS 19 2HD HIS 19 2.681 -3.193 2.652 146 HE1 HIS 19 1HE HIS 19 0.836 -7.023 2.768 147 HE2 HIS 19 2HE HIS 19 2.956 -5.737 2.262 148 H VAL 20 H VAL 20 -3.382 -1.227 4.387 149 HA VAL 20 HA VAL 20 -2.589 1.523 3.840 150 HB VAL 20 HB VAL 20 -5.186 0.705 5.128 151 HG11 VAL 20 1HG1 VAL 20 -4.433 2.958 3.270 152 HG12 VAL 20 2HG1 VAL 20 -4.639 3.085 5.019 153 HG13 VAL 20 3HG1 VAL 20 -6.021 2.695 3.992 154 HG21 VAL 20 3HG2 VAL 20 -4.952 -0.736 3.181 155 HG22 VAL 20 1HG2 VAL 20 -4.553 0.656 2.174 156 HG23 VAL 20 2HG2 VAL 20 -6.164 0.506 2.875 157 H PHE 21 H PHE 21 -1.650 2.731 5.309 158 HA PHE 21 HA PHE 21 -1.312 1.563 7.952 159 HB2 PHE 21 2HB PHE 21 0.114 3.945 6.770 160 HB3 PHE 21 1HB PHE 21 0.588 3.010 8.177 161 HD1 PHE 21 2HD PHE 21 1.190 0.552 7.810 162 HD2 PHE 21 1HD PHE 21 0.959 3.402 4.653 163 HE1 PHE 21 2HE PHE 21 2.562 -0.911 6.389 164 HE2 PHE 21 1HE PHE 21 2.324 1.937 3.229 165 HZ PHE 21 HZ PHE 21 3.196 -0.151 4.094 166 H LYS 22 H LYS 22 -1.145 3.046 9.807 167 HA LYS 22 HA LYS 22 -3.452 4.671 10.150 168 HB2 LYS 22 2HB LYS 22 -0.948 4.242 11.777 169 HB3 LYS 22 1HB LYS 22 -2.234 5.323 12.303 170 HG2 LYS 22 2HG LYS 22 -3.775 3.546 12.513 171 HG3 LYS 22 1HG LYS 22 -2.726 2.437 11.630 172 HD2 LYS 22 2HD LYS 22 -1.958 3.671 14.268 173 HD3 LYS 22 1HD LYS 22 -2.805 2.126 14.138 174 HE2 LYS 22 2HE LYS 22 -0.966 1.269 12.743 175 HE3 LYS 22 1HE LYS 22 -0.115 2.797 12.944 176 HZ1 LYS 22 3HZ LYS 22 0.610 0.975 14.452 177 HZ2 LYS 22 1HZ LYS 22 -0.897 1.057 15.218 178 HZ3 LYS 22 2HZ LYS 22 0.144 2.394 15.250 179 H ASP 23 H ASP 23 -0.489 5.179 8.700 180 HA ASP 23 HA ASP 23 0.012 7.901 9.044 181 HB2 ASP 23 2HB ASP 23 1.510 6.319 7.881 182 HB3 ASP 23 1HB ASP 23 0.349 6.194 6.566 183 H GLY 24 H GLY 24 -2.484 6.233 7.314 184 HA2 GLY 24 2HA GLY 24 -4.542 7.416 6.853 185 HA3 GLY 24 1HA GLY 24 -3.579 8.834 6.465 186 H LYS 25 H LYS 25 -1.720 6.783 5.108 187 HA LYS 25 HA LYS 25 -3.202 6.697 2.561 188 HB2 LYS 25 2HB LYS 25 -0.253 7.230 3.012 189 HB3 LYS 25 1HB LYS 25 -1.064 7.166 1.447 190 HG2 LYS 25 2HG LYS 25 -2.399 9.094 2.021 191 HG3 LYS 25 1HG LYS 25 -1.713 9.125 3.643 192 HD2 LYS 25 2HD LYS 25 0.498 9.572 2.691 193 HD3 LYS 25 1HD LYS 25 -0.202 9.545 1.069 194 HE2 LYS 25 2HE LYS 25 -1.668 11.421 1.696 195 HE3 LYS 25 1HE LYS 25 -0.913 11.463 3.286 196 HZ1 LYS 25 3HZ LYS 25 1.208 11.961 2.195 197 HZ2 LYS 25 1HZ LYS 25 0.034 13.139 1.867 198 HZ3 LYS 25 2HZ LYS 25 0.427 11.987 0.687 199 H MET 26 H MET 26 -1.542 5.217 1.047 200 HA MET 26 HA MET 26 -1.730 2.639 2.449 201 HB2 MET 26 2HB MET 26 -1.835 3.106 -0.530 202 HB3 MET 26 1HB MET 26 -2.182 1.610 0.325 203 HG2 MET 26 2HG MET 26 -4.131 2.636 1.347 204 HG3 MET 26 1HG MET 26 -3.783 4.147 0.505 205 HE1 MET 26 3HE MET 26 -6.532 3.217 0.273 206 HE2 MET 26 1HE MET 26 -6.892 3.088 -1.452 207 HE3 MET 26 2HE MET 26 -5.960 4.459 -0.847 208 H GLY 27 H GLY 27 -0.289 0.955 1.759 209 HA2 GLY 27 2HA GLY 27 2.206 1.922 0.534 210 HA3 GLY 27 1HA GLY 27 2.212 0.823 1.907 211 H MET 28 H MET 28 2.820 0.832 -1.193 212 HA MET 28 HA MET 28 1.235 -1.495 -1.935 213 HB2 MET 28 2HB MET 28 2.937 0.429 -3.465 214 HB3 MET 28 1HB MET 28 2.489 -1.120 -4.172 215 HG2 MET 28 2HG MET 28 0.455 0.719 -3.018 216 HG3 MET 28 1HG MET 28 1.080 0.967 -4.644 217 HE1 MET 28 3HE MET 28 -0.187 -2.153 -2.449 218 HE2 MET 28 1HE MET 28 -1.760 -2.345 -3.227 219 HE3 MET 28 2HE MET 28 -1.374 -0.848 -2.368 220 H GLU 29 H GLU 29 1.891 -3.413 -1.823 221 HA GLU 29 HA GLU 29 4.638 -4.206 -2.268 222 HB2 GLU 29 2HB GLU 29 4.528 -3.735 0.191 223 HB3 GLU 29 1HB GLU 29 3.153 -4.799 0.331 224 HG2 GLU 29 2HG GLU 29 4.548 -6.682 -0.205 225 HG3 GLU 29 1HG GLU 29 5.931 -5.611 -0.458 226 H ASN 30 H ASN 30 4.635 -6.558 -2.786 227 HA ASN 30 HA ASN 30 1.975 -7.459 -3.480 228 HB2 ASN 30 2HB ASN 30 2.981 -9.430 -4.441 229 HB3 ASN 30 1HB ASN 30 3.843 -8.012 -4.996 230 HD21 ASN 30 1HD2 ASN 30 5.576 -9.313 -5.566 231 HD22 ASN 30 2HD2 ASN 30 6.671 -9.949 -4.393 232 H LYS 31 H LYS 31 1.371 -9.776 -2.716 233 HA LYS 31 HA LYS 31 1.074 -9.395 0.085 234 HB2 LYS 31 2HB LYS 31 -0.403 -11.251 0.044 235 HB3 LYS 31 1HB LYS 31 -0.651 -10.347 -1.439 236 HG2 LYS 31 2HG LYS 31 -0.572 -12.380 -2.368 237 HG3 LYS 31 1HG LYS 31 1.170 -12.131 -2.277 238 HD2 LYS 31 2HD LYS 31 1.429 -13.573 -0.546 239 HD3 LYS 31 1HD LYS 31 -0.169 -13.227 0.121 240 HE2 LYS 31 2HE LYS 31 0.449 -14.910 -2.304 241 HE3 LYS 31 1HE LYS 31 -0.080 -15.505 -0.731 242 HZ1 LYS 31 3HZ LYS 31 -1.645 -13.821 -2.617 243 HZ2 LYS 31 1HZ LYS 31 -2.150 -14.222 -1.051 244 HZ3 LYS 31 2HZ LYS 31 -1.945 -15.438 -2.206 245 H PHE 32 H PHE 32 3.550 -10.741 -1.633 246 HA PHE 32 HA PHE 32 4.324 -12.663 0.406 247 HB2 PHE 32 2HB PHE 32 5.686 -11.854 -2.177 248 HB3 PHE 32 1HB PHE 32 6.231 -13.135 -1.095 249 HD1 PHE 32 2HD PHE 32 4.934 -15.187 -0.832 250 HD2 PHE 32 1HD PHE 32 3.797 -12.174 -3.613 251 HE1 PHE 32 2HE PHE 32 3.419 -16.782 -1.936 252 HE2 PHE 32 1HE PHE 32 2.276 -13.759 -4.714 253 HZ PHE 32 HZ PHE 32 2.084 -16.060 -3.875 254 H GLY 33 H GLY 33 4.745 -9.348 -0.237 255 HA2 GLY 33 2HA GLY 33 5.678 -7.895 1.370 256 HA3 GLY 33 1HA GLY 33 6.635 -9.240 2.001 257 H LYS 34 H LYS 34 6.497 -8.713 -1.387 258 HA LYS 34 HA LYS 34 9.245 -7.709 -1.397 259 HB2 LYS 34 2HB LYS 34 8.241 -9.602 -2.910 260 HB3 LYS 34 1HB LYS 34 7.616 -8.254 -3.841 261 HG2 LYS 34 2HG LYS 34 9.624 -8.936 -4.860 262 HG3 LYS 34 1HG LYS 34 9.963 -7.413 -4.032 263 HD2 LYS 34 2HD LYS 34 11.771 -9.000 -3.660 264 HD3 LYS 34 1HD LYS 34 10.919 -8.685 -2.147 265 HE2 LYS 34 2HE LYS 34 9.703 -10.759 -2.345 266 HE3 LYS 34 1HE LYS 34 10.394 -11.051 -3.939 267 HZ1 LYS 34 3HZ LYS 34 12.565 -11.280 -2.955 268 HZ2 LYS 34 1HZ LYS 34 11.486 -12.341 -2.188 269 HZ3 LYS 34 2HZ LYS 34 11.959 -10.906 -1.416 270 H SER 35 H SER 35 9.746 -5.698 -2.197 271 HA SER 35 HA SER 35 7.724 -3.732 -1.753 272 HB2 SER 35 2HB SER 35 10.259 -3.547 -1.288 273 HB3 SER 35 1HB SER 35 10.411 -3.171 -3.004 274 HG SER 35 HG SER 35 9.498 -1.629 -0.931 275 H MET 36 H MET 36 6.276 -3.072 -3.175 276 HA MET 36 HA MET 36 6.879 -3.379 -6.039 277 HB2 MET 36 2HB MET 36 5.389 -5.159 -5.318 278 HB3 MET 36 1HB MET 36 4.306 -3.996 -4.569 279 HG2 MET 36 2HG MET 36 4.837 -3.616 -7.430 280 HG3 MET 36 1HG MET 36 3.921 -5.054 -6.996 281 HE1 MET 36 3HE MET 36 2.397 -4.009 -4.365 282 HE2 MET 36 1HE MET 36 1.689 -5.011 -5.634 283 HE3 MET 36 2HE MET 36 0.866 -3.541 -5.106 284 H ASN 37 H ASN 37 6.009 -1.864 -7.425 285 HA ASN 37 HA ASN 37 5.160 0.622 -6.104 286 HB2 ASN 37 2HB ASN 37 6.407 1.762 -8.017 287 HB3 ASN 37 1HB ASN 37 7.396 0.981 -6.788 288 HD21 ASN 37 1HD2 ASN 37 8.371 -1.015 -7.269 289 HD22 ASN 37 2HD2 ASN 37 8.651 -1.522 -8.895 290 H MET 38 H MET 38 3.197 1.192 -6.648 291 HA MET 38 HA MET 38 2.258 0.658 -9.382 292 HB2 MET 38 2HB MET 38 1.116 -0.879 -7.916 293 HB3 MET 38 1HB MET 38 0.705 0.417 -6.800 294 HG2 MET 38 2HG MET 38 -0.640 1.449 -8.639 295 HG3 MET 38 1HG MET 38 -0.350 -0.010 -9.582 296 HE1 MET 38 3HE MET 38 -1.278 -2.397 -8.952 297 HE2 MET 38 1HE MET 38 -2.184 -2.741 -7.477 298 HE3 MET 38 2HE MET 38 -0.482 -2.295 -7.384 299 HA PRO 39 HA PRO 39 1.422 5.030 -9.318 300 HB2 PRO 39 2HB PRO 39 -0.045 4.621 -11.797 301 HB3 PRO 39 1HB PRO 39 1.499 5.440 -11.548 302 HG2 PRO 39 2HG PRO 39 1.276 3.073 -12.862 303 HG3 PRO 39 1HG PRO 39 2.719 3.536 -11.943 304 HD2 PRO 39 2HD PRO 39 0.467 1.727 -11.150 305 HD3 PRO 39 1HD PRO 39 2.214 1.534 -10.898 306 H GLU 40 H GLU 40 -0.761 6.206 -10.360 307 HA GLU 40 HA GLU 40 -2.835 5.342 -8.492 308 HB2 GLU 40 2HB GLU 40 -3.832 7.563 -8.935 309 HB3 GLU 40 1HB GLU 40 -2.173 7.676 -8.365 310 HG2 GLU 40 2HG GLU 40 -1.389 8.120 -10.599 311 HG3 GLU 40 1HG GLU 40 -3.007 7.864 -11.251 312 H GLY 41 H GLY 41 -5.069 5.281 -9.154 313 HA2 GLY 41 2HA GLY 41 -6.828 5.224 -10.695 314 HA3 GLY 41 1HA GLY 41 -5.667 5.367 -12.005 315 H LYS 42 H LYS 42 -4.505 3.083 -9.999 316 HA LYS 42 HA LYS 42 -5.268 0.931 -11.732 317 HB2 LYS 42 2HB LYS 42 -3.593 1.091 -9.229 318 HB3 LYS 42 1HB LYS 42 -3.931 -0.428 -10.043 319 HG2 LYS 42 2HG LYS 42 -2.665 1.893 -11.464 320 HG3 LYS 42 1HG LYS 42 -1.722 0.705 -10.560 321 HD2 LYS 42 2HD LYS 42 -2.755 -1.079 -11.945 322 HD3 LYS 42 1HD LYS 42 -3.541 0.175 -12.903 323 HE2 LYS 42 2HE LYS 42 -1.360 1.071 -13.533 324 HE3 LYS 42 1HE LYS 42 -0.563 -0.163 -12.554 325 HZ1 LYS 42 3HZ LYS 42 -0.622 -0.755 -14.910 326 HZ2 LYS 42 1HZ LYS 42 -2.319 -0.695 -14.894 327 HZ3 LYS 42 2HZ LYS 42 -1.505 -1.866 -13.976 328 H VAL 43 H VAL 43 -6.944 -0.369 -11.483 329 HA VAL 43 HA VAL 43 -8.736 -0.154 -9.276 330 HB VAL 43 HB VAL 43 -8.629 -2.332 -11.368 331 HG11 VAL 43 1HG1 VAL 43 -10.999 -2.626 -10.861 332 HG12 VAL 43 2HG1 VAL 43 -10.894 -1.378 -9.620 333 HG13 VAL 43 3HG1 VAL 43 -10.003 -2.887 -9.427 334 HG21 VAL 43 3HG2 VAL 43 -10.127 0.286 -11.403 335 HG22 VAL 43 1HG2 VAL 43 -10.285 -1.004 -12.595 336 HG23 VAL 43 2HG2 VAL 43 -8.756 -0.141 -12.426 337 H MET 44 H MET 44 -7.729 -0.677 -7.379 338 HA MET 44 HA MET 44 -6.331 -3.212 -7.151 339 HB2 MET 44 2HB MET 44 -6.942 -1.068 -5.105 340 HB3 MET 44 1HB MET 44 -5.984 -2.511 -4.789 341 HG2 MET 44 2HG MET 44 -4.447 -1.768 -6.626 342 HG3 MET 44 1HG MET 44 -5.336 -0.249 -6.658 343 HE1 MET 44 3HE MET 44 -5.158 1.617 -4.873 344 HE2 MET 44 1HE MET 44 -4.417 1.410 -3.287 345 HE3 MET 44 2HE MET 44 -5.894 0.532 -3.688 346 H GLU 45 H GLU 45 -7.665 -4.906 -7.201 347 HA GLU 45 HA GLU 45 -10.236 -4.711 -5.812 348 HB2 GLU 45 2HB GLU 45 -10.306 -5.244 -8.204 349 HB3 GLU 45 1HB GLU 45 -9.317 -6.666 -7.931 350 HG2 GLU 45 2HG GLU 45 -11.102 -7.622 -6.558 351 HG3 GLU 45 1HG GLU 45 -12.082 -6.184 -6.848 352 H THR 46 H THR 46 -10.396 -5.614 -3.931 353 HA THR 46 HA THR 46 -8.307 -7.252 -2.878 354 HB THR 46 HB THR 46 -9.434 -7.154 -0.797 355 HG1 THR 46 1HG THR 46 -11.547 -7.122 -0.632 356 HG21 THR 46 3HG2 THR 46 -8.509 -5.001 -1.536 357 HG22 THR 46 1HG2 THR 46 -9.927 -4.780 -0.513 358 HG23 THR 46 2HG2 THR 46 -10.061 -4.586 -2.260 359 H ARG 47 H ARG 47 -8.926 -9.315 -1.651 360 HA ARG 47 HA ARG 47 -10.026 -11.142 -3.561 361 HB2 ARG 47 2HB ARG 47 -8.939 -11.486 -0.776 362 HB3 ARG 47 1HB ARG 47 -9.588 -12.829 -1.710 363 HG2 ARG 47 2HG ARG 47 -7.921 -12.584 -3.380 364 HG3 ARG 47 1HG ARG 47 -7.384 -11.047 -2.707 365 HD2 ARG 47 2HD ARG 47 -5.838 -12.831 -2.143 366 HD3 ARG 47 1HD ARG 47 -6.613 -12.188 -0.699 367 HE ARG 47 HE ARG 47 -8.012 -14.459 -1.683 368 HH11 ARG 47 1HH1 ARG 47 -5.126 -13.511 0.043 369 HH12 ARG 47 2HH1 ARG 47 -5.001 -14.996 0.937 370 HH21 ARG 47 1HH2 ARG 47 -7.864 -16.422 -0.537 371 HH22 ARG 47 2HH2 ARG 47 -6.567 -16.666 0.602 372 H ASP 48 H ASP 48 -11.518 -9.094 -1.532 373 HA ASP 48 HA ASP 48 -13.785 -10.827 -0.914 374 HB2 ASP 48 2HB ASP 48 -13.771 -7.825 -0.627 375 HB3 ASP 48 1HB ASP 48 -14.703 -9.009 0.278 376 H GLY 49 H GLY 49 -12.565 -9.086 -3.471 377 HA2 GLY 49 2HA GLY 49 -13.529 -8.661 -5.559 378 HA3 GLY 49 1HA GLY 49 -15.113 -8.999 -4.868 379 H THR 50 H THR 50 -12.759 -6.833 -3.475 380 HA THR 50 HA THR 50 -14.713 -4.653 -3.745 381 HB THR 50 HB THR 50 -12.436 -4.887 -1.764 382 HG1 THR 50 1HG THR 50 -13.722 -6.092 -0.596 383 HG21 THR 50 3HG2 THR 50 -13.678 -3.155 -0.530 384 HG22 THR 50 1HG2 THR 50 -14.873 -3.090 -1.825 385 HG23 THR 50 2HG2 THR 50 -13.210 -2.594 -2.135 386 H LYS 51 H LYS 51 -14.245 -3.150 -5.162 387 HA LYS 51 HA LYS 51 -11.545 -2.946 -6.184 388 HB2 LYS 51 2HB LYS 51 -14.161 -1.753 -7.086 389 HB3 LYS 51 1HB LYS 51 -12.625 -1.485 -7.875 390 HG2 LYS 51 2HG LYS 51 -12.440 -3.932 -8.240 391 HG3 LYS 51 1HG LYS 51 -14.071 -4.095 -7.586 392 HD2 LYS 51 2HD LYS 51 -14.872 -2.543 -9.354 393 HD3 LYS 51 1HD LYS 51 -13.243 -2.562 -10.045 394 HE2 LYS 51 2HE LYS 51 -13.405 -4.981 -10.348 395 HE3 LYS 51 1HE LYS 51 -15.025 -4.966 -9.650 396 HZ1 LYS 51 3HZ LYS 51 -14.165 -3.665 -12.179 397 HZ2 LYS 51 1HZ LYS 51 -15.703 -3.483 -11.484 398 HZ3 LYS 51 2HZ LYS 51 -15.190 -5.004 -12.021 399 H ILE 52 H ILE 52 -10.209 -1.594 -5.275 400 HA ILE 52 HA ILE 52 -11.231 0.980 -4.282 401 HB ILE 52 HB ILE 52 -8.821 -0.589 -3.340 402 HG12 ILE 52 2HG1 ILE 52 -11.385 0.104 -1.890 403 HG13 ILE 52 1HG1 ILE 52 -11.050 -1.460 -2.623 404 HG21 ILE 52 1HG2 ILE 52 -8.546 1.160 -1.663 405 HG22 ILE 52 2HG2 ILE 52 -9.908 2.046 -2.352 406 HG23 ILE 52 3HG2 ILE 52 -8.433 1.827 -3.296 407 HD11 ILE 52 3HD1 ILE 52 -9.528 -0.197 -0.358 408 HD12 ILE 52 1HD1 ILE 52 -9.159 -1.752 -1.103 409 HD13 ILE 52 2HD1 ILE 52 -10.679 -1.528 -0.240 410 H ILE 53 H ILE 53 -10.311 2.797 -5.076 411 HA ILE 53 HA ILE 53 -8.470 2.408 -7.306 412 HB ILE 53 HB ILE 53 -10.189 4.761 -6.538 413 HG12 ILE 53 2HG1 ILE 53 -11.526 3.061 -7.490 414 HG13 ILE 53 1HG1 ILE 53 -11.210 4.187 -8.805 415 HG21 ILE 53 1HG2 ILE 53 -8.136 5.615 -7.497 416 HG22 ILE 53 2HG2 ILE 53 -9.460 5.801 -8.648 417 HG23 ILE 53 3HG2 ILE 53 -8.281 4.506 -8.867 418 HD11 ILE 53 3HD1 ILE 53 -9.468 2.713 -9.654 419 HD12 ILE 53 1HD1 ILE 53 -11.015 1.874 -9.535 420 HD13 ILE 53 2HD1 ILE 53 -9.765 1.596 -8.321 421 H MET 54 H MET 54 -6.413 2.927 -7.212 422 HA MET 54 HA MET 54 -5.383 4.285 -4.873 423 HB2 MET 54 2HB MET 54 -4.284 2.333 -6.327 424 HB3 MET 54 1HB MET 54 -3.640 3.701 -7.220 425 HG2 MET 54 2HG MET 54 -2.598 4.593 -5.300 426 HG3 MET 54 1HG MET 54 -3.375 3.440 -4.239 427 HE1 MET 54 3HE MET 54 0.252 2.262 -3.808 428 HE2 MET 54 1HE MET 54 -1.306 2.569 -3.027 429 HE3 MET 54 2HE MET 54 -0.437 3.893 -3.804 430 H LYS 55 H LYS 55 -4.310 6.311 -4.925 431 HA LYS 55 HA LYS 55 -4.497 7.845 -7.399 432 HB2 LYS 55 2HB LYS 55 -6.623 8.119 -6.020 433 HB3 LYS 55 1HB LYS 55 -5.628 8.920 -4.814 434 HG2 LYS 55 2HG LYS 55 -6.792 10.517 -6.236 435 HG3 LYS 55 1HG LYS 55 -5.042 10.648 -6.406 436 HD2 LYS 55 2HD LYS 55 -5.109 9.419 -8.483 437 HD3 LYS 55 1HD LYS 55 -6.843 9.140 -8.298 438 HE2 LYS 55 2HE LYS 55 -7.296 11.487 -8.514 439 HE3 LYS 55 1HE LYS 55 -5.575 11.867 -8.503 440 HZ1 LYS 55 3HZ LYS 55 -6.563 11.897 -10.736 441 HZ2 LYS 55 1HZ LYS 55 -6.929 10.246 -10.592 442 HZ3 LYS 55 2HZ LYS 55 -5.309 10.752 -10.593 443 H GLY 56 H GLY 56 -3.411 10.055 -7.062 444 HA2 GLY 56 2HA GLY 56 -0.767 9.645 -6.287 445 HA3 GLY 56 1HA GLY 56 -1.502 11.217 -6.567 446 H ASN 57 H ASN 57 -3.482 10.817 -4.427 447 HA ASN 57 HA ASN 57 -2.040 11.863 -2.255 448 HB2 ASN 57 2HB ASN 57 -4.288 11.136 -1.015 449 HB3 ASN 57 1HB ASN 57 -4.206 12.534 -2.078 450 HD21 ASN 57 1HD2 ASN 57 -5.353 9.265 -1.712 451 HD22 ASN 57 2HD2 ASN 57 -6.435 9.302 -3.074 452 H GLU 58 H GLU 58 -3.026 8.564 -3.019 453 HA GLU 58 HA GLU 58 -2.138 7.570 -0.448 454 HB2 GLU 58 2HB GLU 58 -2.686 5.864 -2.858 455 HB3 GLU 58 1HB GLU 58 -2.782 5.420 -1.165 456 HG2 GLU 58 2HG GLU 58 -4.624 7.232 -2.670 457 HG3 GLU 58 1HG GLU 58 -4.976 5.609 -2.080 458 H ILE 59 H ILE 59 -1.210 7.221 -3.799 459 HA ILE 59 HA ILE 59 0.609 6.626 -4.880 460 HB ILE 59 HB ILE 59 1.274 8.841 -3.609 461 HG12 ILE 59 2HG1 ILE 59 3.193 7.061 -5.107 462 HG13 ILE 59 1HG1 ILE 59 2.058 8.201 -5.812 463 HG21 ILE 59 1HG2 ILE 59 3.415 8.622 -2.420 464 HG22 ILE 59 2HG2 ILE 59 3.270 6.867 -2.503 465 HG23 ILE 59 3HG2 ILE 59 2.100 7.805 -1.574 466 HD11 ILE 59 3HD1 ILE 59 3.283 10.048 -4.768 467 HD12 ILE 59 1HD1 ILE 59 4.296 9.101 -5.857 468 HD13 ILE 59 2HD1 ILE 59 4.441 8.893 -4.111 469 H PHE 60 H PHE 60 2.881 5.458 -4.696 470 HA PHE 60 HA PHE 60 2.289 2.907 -3.724 471 HB2 PHE 60 2HB PHE 60 4.620 2.310 -4.245 472 HB3 PHE 60 1HB PHE 60 3.863 3.209 -5.550 473 HD1 PHE 60 1HD PHE 60 4.450 5.631 -5.856 474 HD2 PHE 60 2HD PHE 60 6.586 3.070 -3.208 475 HE1 PHE 60 1HE PHE 60 6.336 7.209 -5.856 476 HE2 PHE 60 2HE PHE 60 8.473 4.648 -3.200 477 HZ PHE 60 HZ PHE 60 8.349 6.718 -4.522 478 H ARG 61 H ARG 61 4.520 5.328 -2.398 479 HA ARG 61 HA ARG 61 5.411 5.593 -0.298 480 HB2 ARG 61 2HB ARG 61 3.113 6.572 -0.365 481 HB3 ARG 61 1HB ARG 61 2.517 5.111 0.401 482 HG2 ARG 61 2HG ARG 61 3.665 5.590 2.413 483 HG3 ARG 61 1HG ARG 61 4.613 6.869 1.646 484 HD2 ARG 61 2HD ARG 61 2.595 8.181 1.295 485 HD3 ARG 61 1HD ARG 61 1.618 6.898 2.001 486 HE ARG 61 HE ARG 61 2.230 7.608 4.097 487 HH11 ARG 61 1HH1 ARG 61 4.288 9.174 1.723 488 HH12 ARG 61 2HH1 ARG 61 4.924 10.327 2.855 489 HH21 ARG 61 1HH2 ARG 61 3.055 9.138 5.579 490 HH22 ARG 61 2HH2 ARG 61 4.229 10.303 5.036 491 H LEU 62 H LEU 62 6.638 3.522 -0.311 492 HA LEU 62 HA LEU 62 5.560 1.713 1.741 493 HB2 LEU 62 2HB LEU 62 5.919 0.915 -0.766 494 HB3 LEU 62 1HB LEU 62 7.565 0.697 -0.207 495 HG LEU 62 HG LEU 62 6.188 -1.374 -0.107 496 HD11 LEU 62 1HD1 LEU 62 6.802 -2.033 2.170 497 HD12 LEU 62 2HD1 LEU 62 7.145 -0.346 2.554 498 HD13 LEU 62 3HD1 LEU 62 8.114 -1.189 1.346 499 HD21 LEU 62 3HD2 LEU 62 4.503 -1.590 1.646 500 HD22 LEU 62 1HD2 LEU 62 4.049 -0.372 0.453 501 HD23 LEU 62 2HD2 LEU 62 4.679 0.124 2.023 502 H ASP 63 H ASP 63 8.789 1.337 0.464 503 HA ASP 63 HA ASP 63 9.961 2.759 2.706 504 HB2 ASP 63 2HB ASP 63 9.481 0.658 3.772 505 HB3 ASP 63 1HB ASP 63 10.175 -0.242 2.427 506 H GLU 64 H GLU 64 11.063 0.122 0.548 507 HA GLU 64 HA GLU 64 13.688 0.973 0.455 508 HB2 GLU 64 2HB GLU 64 12.200 -0.507 -1.728 509 HB3 GLU 64 1HB GLU 64 13.945 -0.411 -1.572 510 HG2 GLU 64 2HG GLU 64 13.648 -1.505 0.701 511 HG3 GLU 64 1HG GLU 64 11.993 -1.844 0.190 512 H ALA 65 H ALA 65 11.152 1.685 -1.941 513 HA ALA 65 HA ALA 65 12.814 3.045 -3.751 514 HB1 ALA 65 1HB ALA 65 9.858 3.446 -3.351 515 HB2 ALA 65 2HB ALA 65 10.579 2.133 -4.282 516 HB3 ALA 65 3HB ALA 65 10.793 3.804 -4.802 517 H LEU 66 H LEU 66 11.490 4.058 -0.749 518 HA LEU 66 HA LEU 66 11.691 6.876 -1.422 519 HB2 LEU 66 2HB LEU 66 10.782 5.476 1.086 520 HB3 LEU 66 1HB LEU 66 10.758 7.205 0.836 521 HG LEU 66 HG LEU 66 9.174 5.209 -0.775 522 HD11 LEU 66 1HD1 LEU 66 8.353 5.355 1.506 523 HD12 LEU 66 2HD1 LEU 66 7.232 6.142 0.393 524 HD13 LEU 66 3HD1 LEU 66 8.309 7.115 1.394 525 HD21 LEU 66 3HD2 LEU 66 9.759 7.198 -2.054 526 HD22 LEU 66 1HD2 LEU 66 9.139 8.225 -0.761 527 HD23 LEU 66 2HD2 LEU 66 8.039 7.185 -1.667 528 H ARG 67 H ARG 67 13.432 4.389 0.233 529 HA ARG 67 HA ARG 67 15.150 6.356 1.557 530 HB2 ARG 67 2HB ARG 67 14.983 3.355 1.859 531 HB3 ARG 67 1HB ARG 67 16.134 4.377 2.713 532 HG2 ARG 67 2HG ARG 67 14.088 5.647 3.568 533 HG3 ARG 67 1HG ARG 67 13.158 4.257 3.008 534 HD2 ARG 67 2HD ARG 67 15.517 4.011 4.843 535 HD3 ARG 67 1HD ARG 67 13.875 4.234 5.433 536 HE ARG 67 HE ARG 67 13.322 2.101 4.352 537 HH11 ARG 67 1HH1 ARG 67 16.699 2.850 4.957 538 HH12 ARG 67 2HH1 ARG 67 17.179 1.180 5.055 539 HH21 ARG 67 1HH2 ARG 67 13.939 -0.077 4.505 540 HH22 ARG 67 2HH2 ARG 67 15.612 -0.490 4.787 541 H LYS 68 H LYS 68 15.428 3.502 -0.534 542 HA LYS 68 HA LYS 68 18.162 4.301 -1.197 543 HB2 LYS 68 2HB LYS 68 16.610 1.786 -1.863 544 HB3 LYS 68 1HB LYS 68 18.278 2.091 -2.336 545 HG2 LYS 68 2HG LYS 68 18.974 2.146 -0.031 546 HG3 LYS 68 1HG LYS 68 17.306 1.995 0.514 547 HD2 LYS 68 2HD LYS 68 18.796 -0.073 -1.101 548 HD3 LYS 68 1HD LYS 68 18.561 -0.128 0.646 549 HE2 LYS 68 2HE LYS 68 16.078 -0.029 0.180 550 HE3 LYS 68 1HE LYS 68 16.475 -0.310 -1.515 551 HZ1 LYS 68 3HZ LYS 68 17.178 -2.107 0.744 552 HZ2 LYS 68 1HZ LYS 68 17.540 -2.388 -0.890 553 HZ3 LYS 68 2HZ LYS 68 15.925 -2.371 -0.370 554 H GLY 69 H GLY 69 17.669 6.117 -2.416 555 HA2 GLY 69 2HA GLY 69 15.826 5.937 -4.628 556 HA3 GLY 69 1HA GLY 69 16.762 7.347 -4.159 557 H HIS 70 H HIS 70 17.028 4.180 -5.703 558 HA HIS 70 HA HIS 70 19.309 5.144 -7.254 559 HB2 HIS 70 2HB HIS 70 19.567 2.906 -6.378 560 HB3 HIS 70 1HB HIS 70 18.021 2.410 -7.061 561 HD1 HIS 70 1HD HIS 70 18.322 1.016 -9.054 562 HD2 HIS 70 2HD HIS 70 21.334 3.862 -8.712 563 HE1 HIS 70 1HE HIS 70 19.801 0.688 -11.063 564 HE2 HIS 70 2HE HIS 70 21.476 2.564 -10.951 565 H SER 71 H SER 71 16.085 3.733 -7.754 566 HA SER 71 HA SER 71 15.942 5.230 -10.278 567 HB2 SER 71 2HB SER 71 16.431 2.851 -10.781 568 HB3 SER 71 1HB SER 71 14.980 2.381 -9.896 569 HG SER 71 HG SER 71 15.149 3.913 -12.284 570 H GLU 72 H GLU 72 14.706 6.793 -9.241 571 HA GLU 72 HA GLU 72 11.971 5.915 -8.586 572 HB2 GLU 72 2HB GLU 72 13.554 6.859 -6.696 573 HB3 GLU 72 1HB GLU 72 13.128 8.412 -7.398 574 HG2 GLU 72 2HG GLU 72 11.107 6.401 -6.448 575 HG3 GLU 72 1HG GLU 72 11.746 7.698 -5.441 576 H GLY 73 H GLY 73 11.072 6.302 -10.537 577 HA2 GLY 73 2HA GLY 73 10.087 8.727 -11.275 578 HA3 GLY 73 1HA GLY 73 11.652 8.659 -12.074 579 H GLY 74 H GLY 74 8.737 8.518 -13.002 580 HA2 GLY 74 2HA GLY 74 8.487 5.875 -14.129 581 HA3 GLY 74 1HA GLY 74 7.423 7.244 -14.422 Start of MODEL 8 1 H1 VAL 1 1HT VAL 1 10.037 -1.449 6.533 2 H2 VAL 1 2HT VAL 1 9.311 -0.543 5.297 3 H3 VAL 1 3HT VAL 1 8.929 -2.186 5.484 4 HA VAL 1 HA VAL 1 8.331 -0.024 7.408 5 HB VAL 1 HB VAL 1 6.894 0.091 5.439 6 HG11 VAL 1 2HG1 VAL 1 6.188 -2.780 6.025 7 HG12 VAL 1 3HG1 VAL 1 7.092 -2.186 4.633 8 HG13 VAL 1 1HG1 VAL 1 5.395 -1.751 4.833 9 HG21 VAL 1 1HG2 VAL 1 4.707 -0.161 6.544 10 HG22 VAL 1 2HG2 VAL 1 5.899 0.646 7.567 11 HG23 VAL 1 3HG2 VAL 1 5.492 -1.047 7.851 12 H ASP 2 H ASP 2 7.734 -0.645 9.399 13 HA ASP 2 HA ASP 2 8.203 -3.474 10.014 14 HB2 ASP 2 2HB ASP 2 8.103 -1.060 11.835 15 HB3 ASP 2 1HB ASP 2 8.530 -2.697 12.326 16 H MET 3 H MET 3 5.643 -2.176 9.019 17 HA MET 3 HA MET 3 3.403 -2.243 9.353 18 HB2 MET 3 2HB MET 3 4.163 -4.600 11.085 19 HB3 MET 3 1HB MET 3 2.571 -4.290 10.407 20 HG2 MET 3 2HG MET 3 4.972 -4.577 8.650 21 HG3 MET 3 1HG MET 3 4.105 -5.981 9.242 22 HE1 MET 3 3HE MET 3 3.047 -2.403 7.856 23 HE2 MET 3 1HE MET 3 2.527 -2.863 6.235 24 HE3 MET 3 2HE MET 3 4.212 -3.066 6.710 25 H SER 4 H SER 4 4.874 -0.517 11.044 26 HA SER 4 HA SER 4 4.059 -0.831 13.763 27 HB2 SER 4 2HB SER 4 5.076 1.544 13.888 28 HB3 SER 4 1HB SER 4 6.147 0.202 13.478 29 HG SER 4 HG SER 4 6.368 2.064 12.084 30 H ASN 5 H ASN 5 2.777 0.788 10.965 31 HA ASN 5 HA ASN 5 0.676 1.941 12.686 32 HB2 ASN 5 2HB ASN 5 2.146 3.238 10.416 33 HB3 ASN 5 1HB ASN 5 0.528 3.763 10.865 34 HD21 ASN 5 1HD2 ASN 5 0.957 3.224 13.704 35 HD22 ASN 5 2HD2 ASN 5 1.974 4.502 14.277 36 H VAL 6 H VAL 6 0.957 -0.507 10.765 37 HA VAL 6 HA VAL 6 -1.054 0.118 8.785 38 HB VAL 6 HB VAL 6 0.649 -1.486 8.161 39 HG11 VAL 6 1HG1 VAL 6 1.196 -2.412 10.311 40 HG12 VAL 6 2HG1 VAL 6 0.765 -3.712 9.197 41 HG13 VAL 6 3HG1 VAL 6 -0.389 -3.179 10.421 42 HG21 VAL 6 3HG2 VAL 6 -2.052 -2.797 8.443 43 HG22 VAL 6 1HG2 VAL 6 -0.765 -3.329 7.362 44 HG23 VAL 6 2HG2 VAL 6 -1.524 -1.755 7.120 45 H VAL 7 H VAL 7 -3.182 -0.159 8.952 46 HA VAL 7 HA VAL 7 -4.179 -1.207 11.510 47 HB VAL 7 HB VAL 7 -4.690 1.160 11.044 48 HG11 VAL 7 1HG1 VAL 7 -6.247 0.090 8.697 49 HG12 VAL 7 2HG1 VAL 7 -4.805 1.104 8.631 50 HG13 VAL 7 3HG1 VAL 7 -6.307 1.749 9.292 51 HG21 VAL 7 3HG2 VAL 7 -7.101 1.062 11.495 52 HG22 VAL 7 1HG2 VAL 7 -6.197 -0.101 12.461 53 HG23 VAL 7 2HG2 VAL 7 -7.104 -0.646 11.052 54 H LYS 8 H LYS 8 -4.305 -1.624 8.072 55 HA LYS 8 HA LYS 8 -5.720 -4.119 8.398 56 HB2 LYS 8 2HB LYS 8 -7.521 -2.365 8.204 57 HB3 LYS 8 1HB LYS 8 -6.942 -2.067 6.566 58 HG2 LYS 8 2HG LYS 8 -7.580 -4.170 5.825 59 HG3 LYS 8 1HG LYS 8 -7.671 -4.825 7.459 60 HD2 LYS 8 2HD LYS 8 -9.572 -3.229 7.859 61 HD3 LYS 8 1HD LYS 8 -9.556 -2.909 6.123 62 HE2 LYS 8 2HE LYS 8 -11.195 -4.611 6.749 63 HE3 LYS 8 1HE LYS 8 -9.974 -5.244 5.654 64 HZ1 LYS 8 3HZ LYS 8 -8.860 -6.243 7.557 65 HZ2 LYS 8 1HZ LYS 8 -10.462 -6.787 7.451 66 HZ3 LYS 8 2HZ LYS 8 -10.035 -5.615 8.606 67 H THR 9 H THR 9 -5.500 -5.481 6.619 68 HA THR 9 HA THR 9 -3.857 -4.497 4.398 69 HB THR 9 HB THR 9 -3.329 -7.010 6.003 70 HG1 THR 9 1HG THR 9 -2.306 -5.362 7.009 71 HG21 THR 9 3HG2 THR 9 -1.467 -7.410 4.462 72 HG22 THR 9 1HG2 THR 9 -1.969 -6.027 3.491 73 HG23 THR 9 2HG2 THR 9 -3.014 -7.441 3.615 74 H TYR 10 H TYR 10 -4.662 -5.084 2.479 75 HA TYR 10 HA TYR 10 -6.763 -7.151 2.455 76 HB2 TYR 10 2HB TYR 10 -6.261 -5.080 0.316 77 HB3 TYR 10 1HB TYR 10 -7.674 -6.102 0.504 78 HD1 TYR 10 2HD TYR 10 -9.081 -5.696 2.689 79 HD2 TYR 10 1HD TYR 10 -6.295 -2.919 1.080 80 HE1 TYR 10 2HE TYR 10 -10.211 -3.871 3.890 81 HE2 TYR 10 1HE TYR 10 -7.413 -1.092 2.270 82 HH TYR 10 HH TYR 10 -9.468 -0.535 3.286 83 H ASP 11 H ASP 11 -6.406 -8.996 1.343 84 HA ASP 11 HA ASP 11 -4.095 -9.250 -0.377 85 HB2 ASP 11 2HB ASP 11 -6.307 -11.123 0.438 86 HB3 ASP 11 1HB ASP 11 -5.270 -11.515 -0.927 87 H LEU 12 H LEU 12 -4.098 -8.512 -2.380 88 HA LEU 12 HA LEU 12 -6.566 -7.725 -3.642 89 HB2 LEU 12 2HB LEU 12 -3.662 -7.502 -4.339 90 HB3 LEU 12 1HB LEU 12 -4.880 -7.182 -5.559 91 HG LEU 12 HG LEU 12 -4.375 -5.072 -4.766 92 HD11 LEU 12 1HD1 LEU 12 -6.267 -4.293 -3.448 93 HD12 LEU 12 2HD1 LEU 12 -6.671 -5.961 -3.041 94 HD13 LEU 12 3HD1 LEU 12 -6.772 -5.413 -4.714 95 HD21 LEU 12 3HD2 LEU 12 -4.324 -6.180 -1.970 96 HD22 LEU 12 1HD2 LEU 12 -4.057 -4.493 -2.419 97 HD23 LEU 12 2HD2 LEU 12 -2.925 -5.738 -2.951 98 H GLN 13 H GLN 13 -7.472 -8.565 -5.511 99 HA GLN 13 HA GLN 13 -7.171 -11.317 -6.049 100 HB2 GLN 13 2HB GLN 13 -8.387 -9.098 -7.705 101 HB3 GLN 13 1HB GLN 13 -8.498 -10.798 -8.129 102 HG2 GLN 13 2HG GLN 13 -9.547 -9.597 -5.577 103 HG3 GLN 13 1HG GLN 13 -10.512 -9.902 -7.019 104 HE21 GLN 13 1HE2 GLN 13 -11.871 -11.316 -5.966 105 HE22 GLN 13 2HE2 GLN 13 -11.366 -12.904 -5.485 106 H ASP 14 H ASP 14 -5.586 -8.506 -7.209 107 HA ASP 14 HA ASP 14 -4.493 -9.449 -9.622 108 HB2 ASP 14 2HB ASP 14 -4.533 -7.103 -9.207 109 HB3 ASP 14 1HB ASP 14 -3.672 -7.292 -7.687 110 H GLY 15 H GLY 15 -3.646 -9.926 -6.313 111 HA2 GLY 15 2HA GLY 15 -2.252 -11.857 -5.795 112 HA3 GLY 15 1HA GLY 15 -1.269 -11.438 -7.194 113 H SER 16 H SER 16 -1.782 -8.536 -6.200 114 HA SER 16 HA SER 16 0.584 -8.348 -4.566 115 HB2 SER 16 2HB SER 16 -0.364 -5.846 -4.549 116 HB3 SER 16 1HB SER 16 0.512 -6.498 -5.927 117 HG SER 16 HG SER 16 -1.320 -6.626 -7.064 118 H LYS 17 H LYS 17 0.365 -6.760 -2.599 119 HA LYS 17 HA LYS 17 -2.151 -7.197 -1.191 120 HB2 LYS 17 2HB LYS 17 -0.571 -9.044 -0.593 121 HB3 LYS 17 1HB LYS 17 0.539 -7.833 0.035 122 HG2 LYS 17 2HG LYS 17 -0.637 -7.546 1.918 123 HG3 LYS 17 1HG LYS 17 -2.189 -7.674 1.082 124 HD2 LYS 17 2HD LYS 17 -1.800 -9.509 2.704 125 HD3 LYS 17 1HD LYS 17 -2.039 -10.073 1.053 126 HE2 LYS 17 2HE LYS 17 -0.252 -11.317 2.095 127 HE3 LYS 17 1HE LYS 17 0.398 -10.310 0.804 128 HZ1 LYS 17 3HZ LYS 17 1.652 -10.390 2.995 129 HZ2 LYS 17 1HZ LYS 17 0.418 -9.415 3.625 130 HZ3 LYS 17 2HZ LYS 17 1.368 -8.860 2.329 131 H VAL 18 H VAL 18 -2.788 -5.418 -0.144 132 HA VAL 18 HA VAL 18 -0.880 -3.189 -0.100 133 HB VAL 18 HB VAL 18 -2.811 -2.743 -1.489 134 HG11 VAL 18 1HG1 VAL 18 -4.497 -3.234 0.958 135 HG12 VAL 18 2HG1 VAL 18 -4.397 -4.284 -0.456 136 HG13 VAL 18 3HG1 VAL 18 -5.077 -2.661 -0.607 137 HG21 VAL 18 3HG2 VAL 18 -1.890 -0.862 -0.281 138 HG22 VAL 18 1HG2 VAL 18 -2.928 -1.212 1.102 139 HG23 VAL 18 2HG2 VAL 18 -3.639 -0.692 -0.425 140 H HIS 19 H HIS 19 -0.275 -2.292 1.745 141 HA HIS 19 HA HIS 19 -1.616 -3.194 4.207 142 HB2 HIS 19 2HB HIS 19 1.047 -1.792 4.145 143 HB3 HIS 19 1HB HIS 19 0.388 -2.838 5.394 144 HD1 HIS 19 1HD HIS 19 -0.113 -5.440 4.076 145 HD2 HIS 19 2HD HIS 19 3.109 -3.025 3.038 146 HE1 HIS 19 1HE HIS 19 1.523 -6.980 2.912 147 HE2 HIS 19 2HE HIS 19 3.561 -5.535 2.516 148 H VAL 20 H VAL 20 -3.121 -1.770 4.774 149 HA VAL 20 HA VAL 20 -2.798 1.035 4.033 150 HB VAL 20 HB VAL 20 -5.179 -0.080 5.486 151 HG11 VAL 20 1HG1 VAL 20 -6.364 1.623 4.200 152 HG12 VAL 20 2HG1 VAL 20 -4.857 2.065 3.394 153 HG13 VAL 20 3HG1 VAL 20 -5.042 2.331 5.131 154 HG21 VAL 20 3HG2 VAL 20 -4.736 -1.645 3.667 155 HG22 VAL 20 1HG2 VAL 20 -4.676 -0.307 2.520 156 HG23 VAL 20 2HG2 VAL 20 -6.186 -0.696 3.347 157 H PHE 21 H PHE 21 -2.074 2.489 5.409 158 HA PHE 21 HA PHE 21 -1.707 1.634 8.178 159 HB2 PHE 21 2HB PHE 21 -0.443 4.032 6.865 160 HB3 PHE 21 1HB PHE 21 0.062 3.198 8.324 161 HD1 PHE 21 2HD PHE 21 0.912 0.801 8.101 162 HD2 PHE 21 1HD PHE 21 0.490 3.443 4.787 163 HE1 PHE 21 2HE PHE 21 2.441 -0.604 6.792 164 HE2 PHE 21 1HE PHE 21 2.017 2.040 3.477 165 HZ PHE 21 HZ PHE 21 3.053 0.066 4.484 166 H LYS 22 H LYS 22 -1.743 3.462 9.786 167 HA LYS 22 HA LYS 22 -4.396 4.519 9.822 168 HB2 LYS 22 2HB LYS 22 -2.078 4.956 11.701 169 HB3 LYS 22 1HB LYS 22 -3.753 5.376 12.035 170 HG2 LYS 22 2HG LYS 22 -4.367 3.010 11.868 171 HG3 LYS 22 1HG LYS 22 -2.674 2.604 11.577 172 HD2 LYS 22 2HD LYS 22 -2.102 3.595 13.766 173 HD3 LYS 22 1HD LYS 22 -3.819 3.883 14.056 174 HE2 LYS 22 2HE LYS 22 -4.207 1.440 13.787 175 HE3 LYS 22 1HE LYS 22 -2.461 1.222 13.676 176 HZ1 LYS 22 3HZ LYS 22 -3.235 0.803 15.911 177 HZ2 LYS 22 1HZ LYS 22 -3.930 2.350 15.996 178 HZ3 LYS 22 2HZ LYS 22 -2.247 2.179 15.890 179 H ASP 23 H ASP 23 -1.829 5.625 8.196 180 HA ASP 23 HA ASP 23 -1.949 8.423 8.894 181 HB2 ASP 23 2HB ASP 23 0.130 7.246 8.062 182 HB3 ASP 23 1HB ASP 23 -0.635 7.158 6.479 183 H GLY 24 H GLY 24 -3.981 6.426 7.271 184 HA2 GLY 24 2HA GLY 24 -5.880 6.996 6.034 185 HA3 GLY 24 1HA GLY 24 -5.225 8.615 5.816 186 H LYS 25 H LYS 25 -2.888 6.368 5.200 187 HA LYS 25 HA LYS 25 -3.447 6.315 2.314 188 HB2 LYS 25 2HB LYS 25 -0.745 6.809 3.574 189 HB3 LYS 25 1HB LYS 25 -1.113 6.759 1.854 190 HG2 LYS 25 2HG LYS 25 -2.434 8.751 2.017 191 HG3 LYS 25 1HG LYS 25 -2.270 8.765 3.774 192 HD2 LYS 25 2HD LYS 25 0.199 8.974 3.453 193 HD3 LYS 25 1HD LYS 25 -0.103 9.178 1.727 194 HE2 LYS 25 2HE LYS 25 0.182 11.325 2.934 195 HE3 LYS 25 1HE LYS 25 -1.381 11.177 2.131 196 HZ1 LYS 25 3HZ LYS 25 -0.960 10.553 5.004 197 HZ2 LYS 25 1HZ LYS 25 -2.439 10.727 4.187 198 HZ3 LYS 25 2HZ LYS 25 -1.452 12.081 4.447 199 H MET 26 H MET 26 -2.199 4.620 1.204 200 HA MET 26 HA MET 26 -1.771 2.305 2.968 201 HB2 MET 26 2HB MET 26 -2.654 1.851 0.167 202 HB3 MET 26 1HB MET 26 -3.068 0.969 1.635 203 HG2 MET 26 2HG MET 26 -4.465 2.970 2.283 204 HG3 MET 26 1HG MET 26 -4.209 3.559 0.645 205 HE1 MET 26 3HE MET 26 -4.298 0.821 -1.041 206 HE2 MET 26 1HE MET 26 -5.102 2.315 -1.522 207 HE3 MET 26 2HE MET 26 -6.004 0.803 -1.488 208 H GLY 27 H GLY 27 -0.387 0.610 1.832 209 HA2 GLY 27 2HA GLY 27 1.544 1.911 0.025 210 HA3 GLY 27 1HA GLY 27 2.090 0.990 1.410 211 H MET 28 H MET 28 2.670 0.569 -1.373 212 HA MET 28 HA MET 28 1.162 -1.872 -1.968 213 HB2 MET 28 2HB MET 28 2.638 0.035 -3.766 214 HB3 MET 28 1HB MET 28 2.036 -1.528 -4.304 215 HG2 MET 28 2HG MET 28 0.073 0.145 -2.928 216 HG3 MET 28 1HG MET 28 0.674 0.796 -4.451 217 HE1 MET 28 3HE MET 28 -1.900 -1.247 -2.778 218 HE2 MET 28 1HE MET 28 -0.772 -2.607 -2.867 219 HE3 MET 28 2HE MET 28 -2.244 -2.623 -3.838 220 H GLU 29 H GLU 29 2.094 -3.654 -1.644 221 HA GLU 29 HA GLU 29 4.901 -4.057 -2.342 222 HB2 GLU 29 2HB GLU 29 4.945 -3.672 0.066 223 HB3 GLU 29 1HB GLU 29 3.579 -4.732 0.310 224 HG2 GLU 29 2HG GLU 29 5.015 -6.616 -0.411 225 HG3 GLU 29 1HG GLU 29 6.377 -5.487 -0.465 226 H ASN 30 H ASN 30 5.205 -6.246 -3.113 227 HA ASN 30 HA ASN 30 2.771 -7.493 -3.905 228 HB2 ASN 30 2HB ASN 30 4.074 -9.275 -4.847 229 HB3 ASN 30 1HB ASN 30 4.843 -7.755 -5.240 230 HD21 ASN 30 1HD2 ASN 30 6.761 -8.779 -5.673 231 HD22 ASN 30 2HD2 ASN 30 7.786 -9.402 -4.435 232 H LYS 31 H LYS 31 2.353 -9.868 -3.294 233 HA LYS 31 HA LYS 31 1.559 -9.631 -0.611 234 HB2 LYS 31 2HB LYS 31 0.294 -11.485 -0.989 235 HB3 LYS 31 1HB LYS 31 0.660 -11.071 -2.656 236 HG2 LYS 31 2HG LYS 31 1.145 -13.277 -2.719 237 HG3 LYS 31 1HG LYS 31 2.723 -12.672 -2.201 238 HD2 LYS 31 2HD LYS 31 2.421 -14.281 -0.615 239 HD3 LYS 31 1HD LYS 31 1.607 -12.930 0.196 240 HE2 LYS 31 2HE LYS 31 -0.541 -13.717 -0.678 241 HE3 LYS 31 1HE LYS 31 0.276 -15.058 -1.487 242 HZ1 LYS 31 3HZ LYS 31 0.198 -14.597 1.448 243 HZ2 LYS 31 1HZ LYS 31 0.973 -15.889 0.665 244 HZ3 LYS 31 2HZ LYS 31 -0.718 -15.751 0.606 245 H PHE 32 H PHE 32 4.543 -10.659 -1.860 246 HA PHE 32 HA PHE 32 5.112 -12.485 0.341 247 HB2 PHE 32 2HB PHE 32 6.852 -11.761 -2.025 248 HB3 PHE 32 1HB PHE 32 7.090 -13.105 -0.912 249 HD1 PHE 32 2HD PHE 32 5.233 -14.849 -0.774 250 HD2 PHE 32 1HD PHE 32 5.603 -12.045 -3.955 251 HE1 PHE 32 2HE PHE 32 3.785 -16.259 -2.171 252 HE2 PHE 32 1HE PHE 32 4.137 -13.451 -5.360 253 HZ PHE 32 HZ PHE 32 3.223 -15.558 -4.457 254 H GLY 33 H GLY 33 5.637 -9.196 -0.480 255 HA2 GLY 33 2HA GLY 33 6.452 -7.669 1.156 256 HA3 GLY 33 1HA GLY 33 7.415 -8.969 1.855 257 H LYS 34 H LYS 34 7.429 -8.742 -1.533 258 HA LYS 34 HA LYS 34 10.133 -7.637 -1.498 259 HB2 LYS 34 2HB LYS 34 8.595 -9.410 -3.288 260 HB3 LYS 34 1HB LYS 34 9.694 -8.308 -4.089 261 HG2 LYS 34 2HG LYS 34 10.743 -10.462 -3.683 262 HG3 LYS 34 1HG LYS 34 11.551 -9.187 -2.770 263 HD2 LYS 34 2HD LYS 34 10.317 -9.858 -0.757 264 HD3 LYS 34 1HD LYS 34 9.526 -11.143 -1.677 265 HE2 LYS 34 2HE LYS 34 11.644 -12.229 -2.067 266 HE3 LYS 34 1HE LYS 34 12.509 -10.896 -1.302 267 HZ1 LYS 34 3HZ LYS 34 11.417 -11.448 0.791 268 HZ2 LYS 34 1HZ LYS 34 12.302 -12.768 0.196 269 HZ3 LYS 34 2HZ LYS 34 10.609 -12.741 0.052 270 H SER 35 H SER 35 10.714 -5.862 -2.747 271 HA SER 35 HA SER 35 8.979 -3.704 -2.552 272 HB2 SER 35 2HB SER 35 11.414 -3.922 -4.339 273 HB3 SER 35 1HB SER 35 10.686 -2.434 -3.730 274 HG SER 35 HG SER 35 11.118 -3.353 -1.566 275 H MET 36 H MET 36 7.216 -3.276 -3.653 276 HA MET 36 HA MET 36 7.186 -3.758 -6.548 277 HB2 MET 36 2HB MET 36 5.806 -5.441 -5.382 278 HB3 MET 36 1HB MET 36 4.892 -4.159 -4.603 279 HG2 MET 36 2HG MET 36 5.012 -4.106 -7.540 280 HG3 MET 36 1HG MET 36 4.089 -5.413 -6.814 281 HE1 MET 36 3HE MET 36 1.934 -5.126 -5.438 282 HE2 MET 36 1HE MET 36 1.282 -3.578 -4.893 283 HE3 MET 36 2HE MET 36 2.809 -4.174 -4.240 284 H ASN 37 H ASN 37 6.207 -2.180 -7.786 285 HA ASN 37 HA ASN 37 5.291 0.215 -6.358 286 HB2 ASN 37 2HB ASN 37 6.609 1.534 -8.160 287 HB3 ASN 37 1HB ASN 37 7.491 0.863 -6.793 288 HD21 ASN 37 1HD2 ASN 37 8.783 -0.953 -7.100 289 HD22 ASN 37 2HD2 ASN 37 9.331 -1.440 -8.662 290 H MET 38 H MET 38 3.259 0.279 -6.932 291 HA MET 38 HA MET 38 2.501 -0.141 -9.732 292 HB2 MET 38 2HB MET 38 1.218 -1.401 -8.091 293 HB3 MET 38 1HB MET 38 0.834 0.076 -7.216 294 HG2 MET 38 2HG MET 38 -0.383 0.891 -9.203 295 HG3 MET 38 1HG MET 38 -0.072 -0.654 -9.989 296 HE1 MET 38 3HE MET 38 -2.030 -3.129 -7.663 297 HE2 MET 38 1HE MET 38 -0.326 -2.675 -7.588 298 HE3 MET 38 2HE MET 38 -1.092 -2.978 -9.149 299 HA PRO 39 HA PRO 39 2.092 4.273 -10.301 300 HB2 PRO 39 2HB PRO 39 0.478 4.103 -12.519 301 HB3 PRO 39 1HB PRO 39 2.238 3.969 -12.565 302 HG2 PRO 39 2HG PRO 39 0.172 1.810 -12.577 303 HG3 PRO 39 1HG PRO 39 1.674 1.931 -13.514 304 HD2 PRO 39 2HD PRO 39 1.479 0.367 -11.334 305 HD3 PRO 39 1HD PRO 39 2.980 1.227 -11.740 306 H GLU 40 H GLU 40 0.667 5.663 -9.485 307 HA GLU 40 HA GLU 40 -1.665 4.825 -8.177 308 HB2 GLU 40 2HB GLU 40 -2.138 7.366 -8.124 309 HB3 GLU 40 1HB GLU 40 -0.712 6.762 -7.297 310 HG2 GLU 40 2HG GLU 40 -0.452 7.689 -10.111 311 HG3 GLU 40 1HG GLU 40 -0.612 8.887 -8.828 312 H GLY 41 H GLY 41 -3.856 5.423 -8.576 313 HA2 GLY 41 2HA GLY 41 -5.697 5.818 -9.930 314 HA3 GLY 41 1HA GLY 41 -4.630 6.106 -11.286 315 H LYS 42 H LYS 42 -4.443 3.266 -9.276 316 HA LYS 42 HA LYS 42 -5.383 1.632 -11.535 317 HB2 LYS 42 2HB LYS 42 -3.513 1.073 -9.250 318 HB3 LYS 42 1HB LYS 42 -4.264 -0.236 -10.150 319 HG2 LYS 42 2HG LYS 42 -3.066 1.711 -11.912 320 HG3 LYS 42 1HG LYS 42 -1.901 1.061 -10.755 321 HD2 LYS 42 2HD LYS 42 -2.523 -1.213 -11.404 322 HD3 LYS 42 1HD LYS 42 -3.697 -0.568 -12.552 323 HE2 LYS 42 2HE LYS 42 -0.726 -0.052 -12.633 324 HE3 LYS 42 1HE LYS 42 -1.573 -1.247 -13.617 325 HZ1 LYS 42 3HZ LYS 42 -2.910 0.594 -14.544 326 HZ2 LYS 42 1HZ LYS 42 -1.256 0.733 -14.896 327 HZ3 LYS 42 2HZ LYS 42 -1.947 1.699 -13.687 328 H VAL 43 H VAL 43 -7.034 0.180 -11.264 329 HA VAL 43 HA VAL 43 -8.643 0.402 -8.869 330 HB VAL 43 HB VAL 43 -9.033 -1.376 -11.287 331 HG11 VAL 43 1HG1 VAL 43 -11.335 -1.619 -10.460 332 HG12 VAL 43 2HG1 VAL 43 -10.905 -0.697 -9.020 333 HG13 VAL 43 3HG1 VAL 43 -10.152 -2.263 -9.320 334 HG21 VAL 43 3HG2 VAL 43 -10.289 1.274 -10.573 335 HG22 VAL 43 1HG2 VAL 43 -10.753 0.256 -11.936 336 HG23 VAL 43 2HG2 VAL 43 -9.145 0.978 -11.883 337 H MET 44 H MET 44 -7.795 -0.597 -7.136 338 HA MET 44 HA MET 44 -6.713 -3.305 -7.452 339 HB2 MET 44 2HB MET 44 -6.576 -1.299 -5.200 340 HB3 MET 44 1HB MET 44 -6.018 -2.956 -5.037 341 HG2 MET 44 2HG MET 44 -4.111 -2.528 -6.091 342 HG3 MET 44 1HG MET 44 -4.918 -1.633 -7.373 343 HE1 MET 44 3HE MET 44 -4.005 0.370 -3.314 344 HE2 MET 44 1HE MET 44 -3.944 -1.376 -3.562 345 HE3 MET 44 2HE MET 44 -5.491 -0.525 -3.649 346 H GLU 45 H GLU 45 -8.348 -4.738 -7.449 347 HA GLU 45 HA GLU 45 -10.538 -4.384 -5.561 348 HB2 GLU 45 2HB GLU 45 -11.097 -4.958 -7.873 349 HB3 GLU 45 1HB GLU 45 -10.148 -6.433 -7.751 350 HG2 GLU 45 2HG GLU 45 -11.665 -7.240 -6.014 351 HG3 GLU 45 1HG GLU 45 -12.611 -5.766 -6.157 352 H THR 46 H THR 46 -10.577 -5.356 -3.681 353 HA THR 46 HA THR 46 -8.516 -7.193 -2.918 354 HB THR 46 HB THR 46 -9.395 -7.098 -0.717 355 HG1 THR 46 1HG THR 46 -11.470 -6.868 -0.290 356 HG21 THR 46 3HG2 THR 46 -9.975 -4.433 -2.016 357 HG22 THR 46 1HG2 THR 46 -8.388 -4.995 -1.483 358 HG23 THR 46 2HG2 THR 46 -9.665 -4.707 -0.301 359 H ARG 47 H ARG 47 -9.128 -9.280 -1.779 360 HA ARG 47 HA ARG 47 -10.678 -10.876 -3.560 361 HB2 ARG 47 2HB ARG 47 -9.360 -11.498 -0.919 362 HB3 ARG 47 1HB ARG 47 -10.198 -12.706 -1.891 363 HG2 ARG 47 2HG ARG 47 -8.667 -12.203 -3.761 364 HG3 ARG 47 1HG ARG 47 -7.790 -11.094 -2.708 365 HD2 ARG 47 2HD ARG 47 -7.206 -12.907 -1.228 366 HD3 ARG 47 1HD ARG 47 -8.176 -14.033 -2.178 367 HE ARG 47 HE ARG 47 -6.460 -13.106 -4.015 368 HH11 ARG 47 1HH1 ARG 47 -5.919 -14.307 -0.769 369 HH12 ARG 47 2HH1 ARG 47 -4.352 -14.955 -1.138 370 HH21 ARG 47 1HH2 ARG 47 -4.409 -13.952 -4.502 371 HH22 ARG 47 2HH2 ARG 47 -3.486 -14.761 -3.263 372 H ASP 48 H ASP 48 -11.787 -8.726 -1.480 373 HA ASP 48 HA ASP 48 -14.097 -10.283 -0.574 374 HB2 ASP 48 2HB ASP 48 -13.552 -7.325 -0.218 375 HB3 ASP 48 1HB ASP 48 -14.795 -8.271 0.591 376 H GLY 49 H GLY 49 -13.045 -8.574 -3.246 377 HA2 GLY 49 2HA GLY 49 -14.260 -8.040 -5.179 378 HA3 GLY 49 1HA GLY 49 -15.754 -8.201 -4.261 379 H THR 50 H THR 50 -13.152 -6.384 -2.948 380 HA THR 50 HA THR 50 -14.748 -3.934 -3.139 381 HB THR 50 HB THR 50 -12.267 -4.387 -1.476 382 HG1 THR 50 1HG THR 50 -13.430 -5.539 -0.148 383 HG21 THR 50 3HG2 THR 50 -12.957 -2.055 -1.763 384 HG22 THR 50 1HG2 THR 50 -13.204 -2.584 -0.099 385 HG23 THR 50 2HG2 THR 50 -14.579 -2.455 -1.193 386 H LYS 51 H LYS 51 -14.262 -2.690 -4.826 387 HA LYS 51 HA LYS 51 -11.588 -2.752 -5.924 388 HB2 LYS 51 2HB LYS 51 -14.178 -1.536 -6.823 389 HB3 LYS 51 1HB LYS 51 -12.654 -1.172 -7.599 390 HG2 LYS 51 2HG LYS 51 -12.372 -3.683 -7.878 391 HG3 LYS 51 1HG LYS 51 -14.077 -3.799 -7.441 392 HD2 LYS 51 2HD LYS 51 -14.640 -2.311 -9.315 393 HD3 LYS 51 1HD LYS 51 -12.931 -2.231 -9.750 394 HE2 LYS 51 2HE LYS 51 -12.945 -4.692 -10.044 395 HE3 LYS 51 1HE LYS 51 -14.682 -4.686 -9.743 396 HZ1 LYS 51 3HZ LYS 51 -14.826 -3.086 -11.669 397 HZ2 LYS 51 1HZ LYS 51 -14.418 -4.686 -12.059 398 HZ3 LYS 51 2HZ LYS 51 -13.218 -3.489 -12.023 399 H ILE 52 H ILE 52 -10.203 -1.634 -4.800 400 HA ILE 52 HA ILE 52 -10.915 1.076 -3.937 401 HB ILE 52 HB ILE 52 -8.590 -0.672 -3.091 402 HG12 ILE 52 2HG1 ILE 52 -11.053 0.113 -1.525 403 HG13 ILE 52 1HG1 ILE 52 -10.862 -1.432 -2.344 404 HG21 ILE 52 1HG2 ILE 52 -9.516 1.990 -2.017 405 HG22 ILE 52 2HG2 ILE 52 -8.045 1.701 -2.949 406 HG23 ILE 52 3HG2 ILE 52 -8.223 0.999 -1.339 407 HD11 ILE 52 3HD1 ILE 52 -8.946 -1.942 -0.923 408 HD12 ILE 52 1HD1 ILE 52 -10.398 -1.623 0.026 409 HD13 ILE 52 2HD1 ILE 52 -9.143 -0.391 -0.105 410 H ILE 53 H ILE 53 -10.381 2.543 -5.439 411 HA ILE 53 HA ILE 53 -8.253 2.028 -7.301 412 HB ILE 53 HB ILE 53 -9.931 4.525 -6.960 413 HG12 ILE 53 2HG1 ILE 53 -10.825 3.714 -9.236 414 HG13 ILE 53 1HG1 ILE 53 -10.100 2.163 -8.832 415 HG21 ILE 53 1HG2 ILE 53 -9.020 5.230 -9.111 416 HG22 ILE 53 2HG2 ILE 53 -8.003 3.792 -9.168 417 HG23 ILE 53 3HG2 ILE 53 -7.729 5.015 -7.928 418 HD11 ILE 53 3HD1 ILE 53 -12.479 2.216 -8.320 419 HD12 ILE 53 1HD1 ILE 53 -12.217 3.579 -7.232 420 HD13 ILE 53 2HD1 ILE 53 -11.512 2.005 -6.859 421 H MET 54 H MET 54 -6.264 2.697 -7.204 422 HA MET 54 HA MET 54 -5.177 3.745 -4.784 423 HB2 MET 54 2HB MET 54 -4.181 2.078 -6.454 424 HB3 MET 54 1HB MET 54 -3.779 3.474 -7.445 425 HG2 MET 54 2HG MET 54 -2.370 4.356 -5.735 426 HG3 MET 54 1HG MET 54 -2.884 3.099 -4.610 427 HE1 MET 54 3HE MET 54 -0.513 2.442 -3.997 428 HE2 MET 54 1HE MET 54 0.131 3.710 -5.042 429 HE3 MET 54 2HE MET 54 0.769 2.070 -5.152 430 H LYS 55 H LYS 55 -6.718 5.751 -5.115 431 HA LYS 55 HA LYS 55 -5.065 7.915 -6.220 432 HB2 LYS 55 2HB LYS 55 -7.990 7.447 -6.799 433 HB3 LYS 55 1HB LYS 55 -7.222 9.010 -7.019 434 HG2 LYS 55 2HG LYS 55 -5.734 8.092 -8.678 435 HG3 LYS 55 1HG LYS 55 -6.376 6.473 -8.400 436 HD2 LYS 55 2HD LYS 55 -7.368 7.397 -10.399 437 HD3 LYS 55 1HD LYS 55 -8.599 7.275 -9.142 438 HE2 LYS 55 2HE LYS 55 -8.776 9.393 -10.334 439 HE3 LYS 55 1HE LYS 55 -8.337 9.650 -8.648 440 HZ1 LYS 55 3HZ LYS 55 -6.307 9.534 -10.798 441 HZ2 LYS 55 1HZ LYS 55 -6.138 10.150 -9.226 442 HZ3 LYS 55 2HZ LYS 55 -7.081 10.980 -10.366 443 H GLY 56 H GLY 56 -4.698 9.353 -4.659 444 HA2 GLY 56 2HA GLY 56 -5.214 10.942 -3.048 445 HA3 GLY 56 1HA GLY 56 -6.878 10.383 -3.076 446 H ASN 57 H ASN 57 -6.891 7.898 -2.285 447 HA ASN 57 HA ASN 57 -6.224 8.085 0.501 448 HB2 ASN 57 2HB ASN 57 -7.281 5.841 0.656 449 HB3 ASN 57 1HB ASN 57 -8.310 7.025 -0.142 450 HD21 ASN 57 1HD2 ASN 57 -6.431 4.133 -0.534 451 HD22 ASN 57 2HD2 ASN 57 -6.993 3.748 -2.124 452 H GLU 58 H GLU 58 -4.484 7.195 -2.174 453 HA GLU 58 HA GLU 58 -2.488 5.950 -0.478 454 HB2 GLU 58 2HB GLU 58 -3.935 4.146 -1.601 455 HB3 GLU 58 1HB GLU 58 -3.163 4.640 -3.102 456 HG2 GLU 58 2HG GLU 58 -0.976 4.144 -2.127 457 HG3 GLU 58 1HG GLU 58 -1.768 3.643 -0.644 458 H ILE 59 H ILE 59 -1.525 7.977 -0.775 459 HA ILE 59 HA ILE 59 -0.402 8.440 -3.446 460 HB ILE 59 HB ILE 59 -0.547 10.304 -1.072 461 HG12 ILE 59 2HG1 ILE 59 -2.728 9.928 -2.118 462 HG13 ILE 59 1HG1 ILE 59 -2.158 11.561 -2.447 463 HG21 ILE 59 1HG2 ILE 59 0.472 10.790 -3.867 464 HG22 ILE 59 2HG2 ILE 59 1.442 10.732 -2.395 465 HG23 ILE 59 3HG2 ILE 59 0.263 12.025 -2.626 466 HD11 ILE 59 3HD1 ILE 59 -3.195 10.548 -4.405 467 HD12 ILE 59 1HD1 ILE 59 -2.016 9.238 -4.358 468 HD13 ILE 59 2HD1 ILE 59 -1.488 10.890 -4.686 469 H PHE 60 H PHE 60 0.578 8.530 -0.021 470 HA PHE 60 HA PHE 60 3.326 8.831 -0.536 471 HB2 PHE 60 2HB PHE 60 2.303 9.450 1.605 472 HB3 PHE 60 1HB PHE 60 1.951 7.757 1.937 473 HD1 PHE 60 1HD PHE 60 4.770 10.086 1.278 474 HD2 PHE 60 2HD PHE 60 3.487 6.446 3.066 475 HE1 PHE 60 1HE PHE 60 6.963 9.851 2.366 476 HE2 PHE 60 2HE PHE 60 5.676 6.203 4.156 477 HZ PHE 60 HZ PHE 60 7.451 7.875 3.729 478 H ARG 61 H ARG 61 1.387 5.962 0.234 479 HA ARG 61 HA ARG 61 1.695 3.769 -0.180 480 HB2 ARG 61 2HB ARG 61 3.887 4.858 -1.924 481 HB3 ARG 61 1HB ARG 61 3.670 3.125 -1.712 482 HG2 ARG 61 2HG ARG 61 1.608 3.123 -2.773 483 HG3 ARG 61 1HG ARG 61 1.378 4.856 -2.540 484 HD2 ARG 61 2HD ARG 61 3.650 3.874 -4.214 485 HD3 ARG 61 1HD ARG 61 2.022 3.916 -4.890 486 HE ARG 61 HE ARG 61 3.053 6.353 -3.648 487 HH11 ARG 61 1HH1 ARG 61 2.290 4.595 -6.589 488 HH12 ARG 61 2HH1 ARG 61 2.217 6.025 -7.575 489 HH21 ARG 61 1HH2 ARG 61 2.966 8.224 -4.946 490 HH22 ARG 61 2HH2 ARG 61 2.572 8.090 -6.637 491 H LEU 62 H LEU 62 5.136 4.541 -0.230 492 HA LEU 62 HA LEU 62 5.508 3.455 2.453 493 HB2 LEU 62 2HB LEU 62 6.895 2.246 0.060 494 HB3 LEU 62 1HB LEU 62 7.111 1.785 1.732 495 HG LEU 62 HG LEU 62 4.462 1.474 0.361 496 HD11 LEU 62 1HD1 LEU 62 6.723 -0.513 0.481 497 HD12 LEU 62 2HD1 LEU 62 6.218 0.377 -0.957 498 HD13 LEU 62 3HD1 LEU 62 5.116 -0.787 -0.202 499 HD21 LEU 62 3HD2 LEU 62 4.163 -0.262 2.067 500 HD22 LEU 62 1HD2 LEU 62 4.483 1.308 2.799 501 HD23 LEU 62 2HD2 LEU 62 5.763 0.098 2.715 502 H ASP 63 H ASP 63 7.134 4.201 -0.545 503 HA ASP 63 HA ASP 63 8.610 5.730 -1.183 504 HB2 ASP 63 2HB ASP 63 7.441 7.401 0.091 505 HB3 ASP 63 1HB ASP 63 8.213 6.873 1.581 506 H GLU 64 H GLU 64 9.249 4.068 1.827 507 HA GLU 64 HA GLU 64 11.973 4.493 2.084 508 HB2 GLU 64 2HB GLU 64 12.054 2.228 3.134 509 HB3 GLU 64 1HB GLU 64 10.816 3.291 3.776 510 HG2 GLU 64 2HG GLU 64 9.117 2.146 2.488 511 HG3 GLU 64 1HG GLU 64 10.348 1.109 1.766 512 H ALA 65 H ALA 65 10.287 2.255 -0.053 513 HA ALA 65 HA ALA 65 12.649 0.982 -1.000 514 HB1 ALA 65 1HB ALA 65 11.194 -0.008 -2.691 515 HB2 ALA 65 2HB ALA 65 9.909 1.118 -2.256 516 HB3 ALA 65 3HB ALA 65 10.448 -0.097 -1.096 517 H LEU 66 H LEU 66 11.271 3.991 -1.549 518 HA LEU 66 HA LEU 66 12.285 4.282 -4.264 519 HB2 LEU 66 2HB LEU 66 10.719 6.213 -2.554 520 HB3 LEU 66 1HB LEU 66 11.033 6.347 -4.267 521 HG LEU 66 HG LEU 66 9.405 4.121 -3.062 522 HD11 LEU 66 1HD1 LEU 66 8.326 6.257 -2.596 523 HD12 LEU 66 2HD1 LEU 66 7.432 5.355 -3.823 524 HD13 LEU 66 3HD1 LEU 66 8.461 6.706 -4.300 525 HD21 LEU 66 3HD2 LEU 66 9.720 5.121 -5.889 526 HD22 LEU 66 1HD2 LEU 66 8.611 3.851 -5.371 527 HD23 LEU 66 2HD2 LEU 66 10.352 3.611 -5.238 528 H ARG 67 H ARG 67 13.332 4.684 -1.126 529 HA ARG 67 HA ARG 67 14.665 7.221 -1.413 530 HB2 ARG 67 2HB ARG 67 14.843 5.124 0.755 531 HB3 ARG 67 1HB ARG 67 15.577 6.719 0.835 532 HG2 ARG 67 2HG ARG 67 13.412 7.773 0.796 533 HG3 ARG 67 1HG ARG 67 12.623 6.215 0.548 534 HD2 ARG 67 2HD ARG 67 13.564 5.475 2.736 535 HD3 ARG 67 1HD ARG 67 14.146 7.119 2.986 536 HE ARG 67 HE ARG 67 11.543 7.545 2.539 537 HH11 ARG 67 1HH1 ARG 67 13.157 5.200 4.588 538 HH12 ARG 67 2HH1 ARG 67 11.887 5.173 5.781 539 HH21 ARG 67 1HH2 ARG 67 9.878 7.527 4.128 540 HH22 ARG 67 2HH2 ARG 67 10.029 6.481 5.509 541 H LYS 68 H LYS 68 15.592 5.974 -3.470 542 HA LYS 68 HA LYS 68 17.987 4.473 -3.009 543 HB2 LYS 68 2HB LYS 68 16.964 5.897 -5.478 544 HB3 LYS 68 1HB LYS 68 18.352 4.815 -5.447 545 HG2 LYS 68 2HG LYS 68 16.966 2.948 -4.872 546 HG3 LYS 68 1HG LYS 68 15.562 3.994 -4.666 547 HD2 LYS 68 2HD LYS 68 17.048 3.626 -7.265 548 HD3 LYS 68 1HD LYS 68 15.590 2.737 -6.816 549 HE2 LYS 68 2HE LYS 68 14.409 4.912 -6.578 550 HE3 LYS 68 1HE LYS 68 15.856 5.719 -7.183 551 HZ1 LYS 68 3HZ LYS 68 15.646 4.493 -9.250 552 HZ2 LYS 68 1HZ LYS 68 14.227 5.367 -8.933 553 HZ3 LYS 68 2HZ LYS 68 14.268 3.691 -8.666 554 H GLY 69 H GLY 69 17.214 7.821 -3.855 555 HA2 GLY 69 2HA GLY 69 19.983 8.638 -3.456 556 HA3 GLY 69 1HA GLY 69 18.636 9.685 -3.891 557 H HIS 70 H HIS 70 20.057 7.852 -1.240 558 HA HIS 70 HA HIS 70 18.530 9.519 0.649 559 HB2 HIS 70 2HB HIS 70 18.721 7.751 2.273 560 HB3 HIS 70 1HB HIS 70 18.130 7.049 0.771 561 HD1 HIS 70 1HD HIS 70 20.922 6.920 3.188 562 HD2 HIS 70 2HD HIS 70 20.039 5.379 -0.576 563 HE1 HIS 70 1HE HIS 70 22.667 5.175 2.747 564 HE2 HIS 70 2HE HIS 70 22.109 4.226 0.477 565 H SER 71 H SER 71 19.614 10.202 2.603 566 HA SER 71 HA SER 71 22.230 11.198 2.091 567 HB2 SER 71 2HB SER 71 20.668 11.223 4.681 568 HB3 SER 71 1HB SER 71 22.024 12.269 4.260 569 HG SER 71 HG SER 71 20.564 13.561 3.489 570 H GLU 72 H GLU 72 24.148 10.757 3.198 571 HA GLU 72 HA GLU 72 24.297 8.563 5.067 572 HB2 GLU 72 2HB GLU 72 24.211 7.408 2.863 573 HB3 GLU 72 1HB GLU 72 25.640 8.304 2.367 574 HG2 GLU 72 2HG GLU 72 26.940 7.234 4.118 575 HG3 GLU 72 1HG GLU 72 25.507 6.362 4.663 576 H GLY 73 H GLY 73 25.301 9.943 6.473 577 HA2 GLY 73 2HA GLY 73 27.202 10.839 7.462 578 HA3 GLY 73 1HA GLY 73 28.100 10.480 5.993 579 H GLY 74 H GLY 74 25.118 12.247 5.928 580 HA2 GLY 74 2HA GLY 74 26.450 14.817 5.740 581 HA3 GLY 74 1HA GLY 74 25.746 14.217 4.244 Start of MODEL 9 1 H1 VAL 1 1HT VAL 1 8.562 -1.816 4.835 2 H2 VAL 1 2HT VAL 1 8.312 -3.334 5.564 3 H3 VAL 1 3HT VAL 1 9.710 -2.446 5.916 4 HA VAL 1 HA VAL 1 8.395 -0.716 6.952 5 HB VAL 1 HB VAL 1 6.035 -1.197 7.530 6 HG11 VAL 1 2HG1 VAL 1 6.590 -1.080 4.575 7 HG12 VAL 1 3HG1 VAL 1 6.520 0.289 5.684 8 HG13 VAL 1 1HG1 VAL 1 5.066 -0.650 5.353 9 HG21 VAL 1 1HG2 VAL 1 4.798 -2.896 6.281 10 HG22 VAL 1 2HG2 VAL 1 6.061 -3.609 7.284 11 HG23 VAL 1 3HG2 VAL 1 6.304 -3.445 5.544 12 H ASP 2 H ASP 2 7.346 -1.036 9.183 13 HA ASP 2 HA ASP 2 8.680 -3.307 10.462 14 HB2 ASP 2 2HB ASP 2 9.126 -0.937 11.214 15 HB3 ASP 2 1HB ASP 2 7.459 -0.869 11.774 16 H MET 3 H MET 3 5.868 -2.758 9.135 17 HA MET 3 HA MET 3 3.693 -3.404 9.317 18 HB2 MET 3 2HB MET 3 5.047 -5.616 10.864 19 HB3 MET 3 1HB MET 3 3.374 -5.667 10.332 20 HG2 MET 3 2HG MET 3 5.466 -5.130 8.301 21 HG3 MET 3 1HG MET 3 5.323 -6.760 8.936 22 HE1 MET 3 3HE MET 3 2.508 -4.024 8.170 23 HE2 MET 3 1HE MET 3 2.032 -4.545 6.552 24 HE3 MET 3 2HE MET 3 3.655 -3.919 6.834 25 H SER 4 H SER 4 4.848 -1.713 11.536 26 HA SER 4 HA SER 4 3.025 -2.395 13.714 27 HB2 SER 4 2HB SER 4 5.269 -0.373 13.542 28 HB3 SER 4 1HB SER 4 4.290 -0.672 14.981 29 HG SER 4 HG SER 4 6.471 -1.963 14.204 30 H ASN 5 H ASN 5 3.589 -0.030 11.217 31 HA ASN 5 HA ASN 5 1.730 1.892 12.271 32 HB2 ASN 5 2HB ASN 5 3.826 2.254 10.774 33 HB3 ASN 5 1HB ASN 5 2.754 1.820 9.452 34 HD21 ASN 5 1HD2 ASN 5 4.152 4.280 10.088 35 HD22 ASN 5 2HD2 ASN 5 2.943 5.512 10.165 36 H VAL 6 H VAL 6 1.592 -0.890 10.260 37 HA VAL 6 HA VAL 6 -0.618 -0.131 8.645 38 HB VAL 6 HB VAL 6 0.944 -1.871 7.931 39 HG11 VAL 6 1HG1 VAL 6 -0.180 -3.504 10.189 40 HG12 VAL 6 2HG1 VAL 6 1.451 -2.838 10.076 41 HG13 VAL 6 3HG1 VAL 6 0.927 -4.080 8.940 42 HG21 VAL 6 3HG2 VAL 6 -1.857 -2.932 8.317 43 HG22 VAL 6 1HG2 VAL 6 -0.675 -3.536 7.154 44 HG23 VAL 6 2HG2 VAL 6 -1.310 -1.898 6.997 45 H VAL 7 H VAL 7 -2.763 -0.341 8.957 46 HA VAL 7 HA VAL 7 -3.642 -1.396 11.555 47 HB VAL 7 HB VAL 7 -4.282 0.917 11.192 48 HG11 VAL 7 1HG1 VAL 7 -5.846 1.569 9.413 49 HG12 VAL 7 2HG1 VAL 7 -5.713 -0.046 8.720 50 HG13 VAL 7 3HG1 VAL 7 -4.301 1.009 8.770 51 HG21 VAL 7 3HG2 VAL 7 -5.818 -0.475 12.455 52 HG22 VAL 7 1HG2 VAL 7 -6.651 -0.934 10.968 53 HG23 VAL 7 2HG2 VAL 7 -6.700 0.738 11.526 54 H LYS 8 H LYS 8 -4.369 -1.527 8.089 55 HA LYS 8 HA LYS 8 -5.452 -4.202 8.466 56 HB2 LYS 8 2HB LYS 8 -7.393 -2.615 8.582 57 HB3 LYS 8 1HB LYS 8 -6.993 -2.079 6.956 58 HG2 LYS 8 2HG LYS 8 -7.339 -4.379 6.143 59 HG3 LYS 8 1HG LYS 8 -7.819 -4.857 7.769 60 HD2 LYS 8 2HD LYS 8 -9.647 -3.187 7.670 61 HD3 LYS 8 1HD LYS 8 -9.198 -2.851 5.996 62 HE2 LYS 8 2HE LYS 8 -9.625 -5.198 5.424 63 HE3 LYS 8 1HE LYS 8 -10.100 -5.512 7.093 64 HZ1 LYS 8 3HZ LYS 8 -11.869 -3.795 6.772 65 HZ2 LYS 8 1HZ LYS 8 -12.064 -5.199 5.840 66 HZ3 LYS 8 2HZ LYS 8 -11.487 -3.782 5.119 67 H THR 9 H THR 9 -5.347 -5.467 6.599 68 HA THR 9 HA THR 9 -3.964 -4.260 4.310 69 HB THR 9 HB THR 9 -3.232 -6.871 5.657 70 HG1 THR 9 1HG THR 9 -1.562 -5.792 6.451 71 HG21 THR 9 3HG2 THR 9 -1.486 -7.056 3.949 72 HG22 THR 9 1HG2 THR 9 -2.114 -5.614 3.153 73 HG23 THR 9 2HG2 THR 9 -3.094 -7.077 3.229 74 H TYR 10 H TYR 10 -5.096 -4.588 2.517 75 HA TYR 10 HA TYR 10 -7.181 -6.616 2.504 76 HB2 TYR 10 2HB TYR 10 -6.513 -4.729 0.246 77 HB3 TYR 10 1HB TYR 10 -8.023 -5.582 0.524 78 HD1 TYR 10 2HD TYR 10 -8.945 -5.000 3.055 79 HD2 TYR 10 1HD TYR 10 -6.667 -2.442 0.545 80 HE1 TYR 10 2HE TYR 10 -9.865 -3.061 4.234 81 HE2 TYR 10 1HE TYR 10 -7.586 -0.479 1.717 82 HH TYR 10 HH TYR 10 -9.528 -0.807 4.613 83 H ASP 11 H ASP 11 -6.882 -8.556 1.656 84 HA ASP 11 HA ASP 11 -4.530 -9.215 0.156 85 HB2 ASP 11 2HB ASP 11 -6.792 -10.666 1.304 86 HB3 ASP 11 1HB ASP 11 -6.314 -11.270 -0.277 87 H LEU 12 H LEU 12 -4.314 -8.430 -1.832 88 HA LEU 12 HA LEU 12 -6.614 -7.847 -3.450 89 HB2 LEU 12 2HB LEU 12 -3.661 -7.622 -4.031 90 HB3 LEU 12 1HB LEU 12 -4.935 -7.070 -5.095 91 HG LEU 12 HG LEU 12 -4.292 -5.988 -2.359 92 HD11 LEU 12 1HD1 LEU 12 -3.699 -3.968 -3.552 93 HD12 LEU 12 2HD1 LEU 12 -4.106 -4.730 -5.089 94 HD13 LEU 12 3HD1 LEU 12 -2.746 -5.330 -4.141 95 HD21 LEU 12 3HD2 LEU 12 -6.705 -5.982 -2.749 96 HD22 LEU 12 1HD2 LEU 12 -6.461 -5.159 -4.289 97 HD23 LEU 12 2HD2 LEU 12 -6.050 -4.344 -2.778 98 H GLN 13 H GLN 13 -7.428 -9.017 -5.014 99 HA GLN 13 HA GLN 13 -6.765 -11.737 -5.360 100 HB2 GLN 13 2HB GLN 13 -8.534 -9.775 -6.739 101 HB3 GLN 13 1HB GLN 13 -8.244 -11.333 -7.487 102 HG2 GLN 13 2HG GLN 13 -9.191 -12.485 -5.629 103 HG3 GLN 13 1HG GLN 13 -9.239 -11.007 -4.669 104 HE21 GLN 13 1HE2 GLN 13 -10.127 -9.401 -6.903 105 HE22 GLN 13 2HE2 GLN 13 -11.799 -9.770 -7.137 106 H ASP 14 H ASP 14 -5.495 -8.921 -6.689 107 HA ASP 14 HA ASP 14 -4.589 -9.832 -9.196 108 HB2 ASP 14 2HB ASP 14 -3.899 -7.609 -7.347 109 HB3 ASP 14 1HB ASP 14 -2.946 -7.858 -8.809 110 H GLY 15 H GLY 15 -3.616 -10.532 -6.029 111 HA2 GLY 15 2HA GLY 15 -2.050 -12.348 -5.689 112 HA3 GLY 15 1HA GLY 15 -1.126 -11.739 -7.057 113 H SER 16 H SER 16 -1.849 -9.007 -5.776 114 HA SER 16 HA SER 16 0.524 -8.878 -4.087 115 HB2 SER 16 2HB SER 16 -1.073 -6.519 -5.056 116 HB3 SER 16 1HB SER 16 0.631 -6.600 -4.599 117 HG SER 16 HG SER 16 0.463 -8.278 -6.536 118 H LYS 17 H LYS 17 -0.027 -6.692 -2.573 119 HA LYS 17 HA LYS 17 -2.586 -7.131 -1.242 120 HB2 LYS 17 2HB LYS 17 -0.150 -8.149 -0.201 121 HB3 LYS 17 1HB LYS 17 -0.521 -6.709 0.738 122 HG2 LYS 17 2HG LYS 17 -1.545 -8.414 1.920 123 HG3 LYS 17 1HG LYS 17 -2.868 -7.717 0.981 124 HD2 LYS 17 2HD LYS 17 -3.259 -9.862 0.421 125 HD3 LYS 17 1HD LYS 17 -1.960 -9.588 -0.742 126 HE2 LYS 17 2HE LYS 17 -1.550 -11.642 0.450 127 HE3 LYS 17 1HE LYS 17 -0.343 -10.443 0.913 128 HZ1 LYS 17 3HZ LYS 17 -1.211 -11.665 2.830 129 HZ2 LYS 17 1HZ LYS 17 -2.777 -11.110 2.482 130 HZ3 LYS 17 2HZ LYS 17 -1.564 -10.015 2.937 131 H VAL 18 H VAL 18 -2.956 -5.267 0.300 132 HA VAL 18 HA VAL 18 -1.093 -3.047 -0.132 133 HB VAL 18 HB VAL 18 -3.016 -2.606 -1.574 134 HG11 VAL 18 1HG1 VAL 18 -5.236 -2.175 -0.643 135 HG12 VAL 18 2HG1 VAL 18 -4.670 -2.741 0.929 136 HG13 VAL 18 3HG1 VAL 18 -4.734 -3.853 -0.438 137 HG21 VAL 18 3HG2 VAL 18 -3.615 -0.382 -0.722 138 HG22 VAL 18 1HG2 VAL 18 -1.886 -0.714 -0.606 139 HG23 VAL 18 2HG2 VAL 18 -2.903 -0.807 0.837 140 H HIS 19 H HIS 19 -0.364 -2.313 1.745 141 HA HIS 19 HA HIS 19 -1.756 -3.222 4.170 142 HB2 HIS 19 2HB HIS 19 0.976 -2.000 4.286 143 HB3 HIS 19 1HB HIS 19 0.276 -3.261 5.289 144 HD1 HIS 19 1HD HIS 19 -0.124 -5.631 3.735 145 HD2 HIS 19 2HD HIS 19 2.874 -2.949 2.685 146 HE1 HIS 19 1HE HIS 19 1.445 -6.924 2.228 147 HE2 HIS 19 2HE HIS 19 3.177 -5.244 1.520 148 H VAL 20 H VAL 20 -3.198 -1.709 4.712 149 HA VAL 20 HA VAL 20 -2.670 1.090 4.162 150 HB VAL 20 HB VAL 20 -5.043 0.129 5.726 151 HG11 VAL 20 1HG1 VAL 20 -4.677 2.230 3.600 152 HG12 VAL 20 2HG1 VAL 20 -4.683 2.525 5.343 153 HG13 VAL 20 3HG1 VAL 20 -6.145 1.946 4.539 154 HG21 VAL 20 3HG2 VAL 20 -4.711 -0.148 2.739 155 HG22 VAL 20 1HG2 VAL 20 -6.222 -0.362 3.620 156 HG23 VAL 20 2HG2 VAL 20 -4.876 -1.467 3.898 157 H PHE 21 H PHE 21 -1.975 2.525 5.641 158 HA PHE 21 HA PHE 21 -1.249 1.396 8.243 159 HB2 PHE 21 2HB PHE 21 -0.194 3.855 6.844 160 HB3 PHE 21 1HB PHE 21 0.438 3.162 8.328 161 HD1 PHE 21 2HD PHE 21 1.208 0.678 8.167 162 HD2 PHE 21 1HD PHE 21 0.790 3.271 4.803 163 HE1 PHE 21 2HE PHE 21 2.714 -0.759 6.868 164 HE2 PHE 21 1HE PHE 21 2.296 1.834 3.512 165 HZ PHE 21 HZ PHE 21 3.261 -0.124 4.478 166 H LYS 22 H LYS 22 -1.334 2.734 10.123 167 HA LYS 22 HA LYS 22 -3.848 4.005 10.469 168 HB2 LYS 22 2HB LYS 22 -1.413 3.721 12.224 169 HB3 LYS 22 1HB LYS 22 -2.868 4.556 12.757 170 HG2 LYS 22 2HG LYS 22 -4.162 2.578 12.626 171 HG3 LYS 22 1HG LYS 22 -2.894 1.724 11.747 172 HD2 LYS 22 2HD LYS 22 -2.618 2.724 14.583 173 HD3 LYS 22 1HD LYS 22 -3.091 1.078 14.153 174 HE2 LYS 22 2HE LYS 22 -0.959 0.865 12.884 175 HE3 LYS 22 1HE LYS 22 -0.490 2.453 13.487 176 HZ1 LYS 22 3HZ LYS 22 -0.620 1.585 15.749 177 HZ2 LYS 22 1HZ LYS 22 0.481 0.701 14.813 178 HZ3 LYS 22 2HZ LYS 22 -1.044 0.053 15.157 179 H ASP 23 H ASP 23 -0.992 5.125 9.170 180 HA ASP 23 HA ASP 23 -1.075 7.853 9.951 181 HB2 ASP 23 2HB ASP 23 0.941 7.081 8.946 182 HB3 ASP 23 1HB ASP 23 0.080 6.414 7.559 183 H GLY 24 H GLY 24 -2.873 5.910 7.745 184 HA2 GLY 24 2HA GLY 24 -5.045 6.733 7.039 185 HA3 GLY 24 1HA GLY 24 -4.310 8.318 6.832 186 H LYS 25 H LYS 25 -2.019 6.292 5.753 187 HA LYS 25 HA LYS 25 -3.065 6.410 3.008 188 HB2 LYS 25 2HB LYS 25 -0.233 6.630 4.009 189 HB3 LYS 25 1HB LYS 25 -0.636 6.356 2.318 190 HG2 LYS 25 2HG LYS 25 -2.026 8.457 2.445 191 HG3 LYS 25 1HG LYS 25 -1.261 8.753 4.008 192 HD2 LYS 25 2HD LYS 25 0.899 8.868 3.011 193 HD3 LYS 25 1HD LYS 25 0.278 8.301 1.459 194 HE2 LYS 25 2HE LYS 25 -0.374 10.914 2.816 195 HE3 LYS 25 1HE LYS 25 0.639 10.696 1.388 196 HZ1 LYS 25 3HZ LYS 25 -1.334 9.790 0.237 197 HZ2 LYS 25 1HZ LYS 25 -1.538 11.400 0.714 198 HZ3 LYS 25 2HZ LYS 25 -2.281 10.155 1.590 199 H MET 26 H MET 26 -2.122 4.748 1.536 200 HA MET 26 HA MET 26 -2.086 2.180 2.977 201 HB2 MET 26 2HB MET 26 -2.933 2.485 0.111 202 HB3 MET 26 1HB MET 26 -3.297 1.183 1.232 203 HG2 MET 26 2HG MET 26 -4.706 2.763 2.520 204 HG3 MET 26 1HG MET 26 -4.420 3.963 1.262 205 HE1 MET 26 3HE MET 26 -4.266 1.829 -1.189 206 HE2 MET 26 1HE MET 26 -5.039 3.404 -1.377 207 HE3 MET 26 2HE MET 26 -5.902 1.936 -1.845 208 H GLY 27 H GLY 27 -0.279 1.083 2.844 209 HA2 GLY 27 2HA GLY 27 1.751 1.884 0.936 210 HA3 GLY 27 1HA GLY 27 1.938 0.720 2.232 211 H MET 28 H MET 28 1.761 1.103 -0.991 212 HA MET 28 HA MET 28 0.319 -1.308 -1.641 213 HB2 MET 28 2HB MET 28 0.143 0.602 -3.111 214 HB3 MET 28 1HB MET 28 1.887 0.665 -3.306 215 HG2 MET 28 2HG MET 28 1.270 -0.342 -5.244 216 HG3 MET 28 1HG MET 28 1.597 -1.731 -4.213 217 HE1 MET 28 3HE MET 28 -1.299 -1.347 -2.403 218 HE2 MET 28 1HE MET 28 -0.614 -2.935 -2.786 219 HE3 MET 28 2HE MET 28 -2.278 -2.559 -3.240 220 H GLU 29 H GLU 29 1.244 -3.202 -1.297 221 HA GLU 29 HA GLU 29 3.732 -3.877 -2.522 222 HB2 GLU 29 2HB GLU 29 4.531 -2.780 -0.435 223 HB3 GLU 29 1HB GLU 29 3.593 -3.934 0.506 224 HG2 GLU 29 2HG GLU 29 6.041 -4.415 0.290 225 HG3 GLU 29 1HG GLU 29 4.953 -5.726 -0.172 226 H ASN 30 H ASN 30 3.889 -6.064 -2.804 227 HA ASN 30 HA ASN 30 1.462 -7.528 -2.415 228 HB2 ASN 30 2HB ASN 30 2.371 -9.154 -3.805 229 HB3 ASN 30 1HB ASN 30 3.192 -7.702 -4.358 230 HD21 ASN 30 1HD2 ASN 30 5.409 -7.397 -3.768 231 HD22 ASN 30 2HD2 ASN 30 6.382 -8.769 -3.357 232 H LYS 31 H LYS 31 1.887 -9.974 -1.644 233 HA LYS 31 HA LYS 31 2.001 -9.757 1.146 234 HB2 LYS 31 2HB LYS 31 1.830 -12.155 1.260 235 HB3 LYS 31 1HB LYS 31 0.815 -11.576 -0.050 236 HG2 LYS 31 2HG LYS 31 3.581 -12.417 -0.712 237 HG3 LYS 31 1HG LYS 31 2.404 -13.668 -0.312 238 HD2 LYS 31 2HD LYS 31 1.608 -11.560 -2.245 239 HD3 LYS 31 1HD LYS 31 2.739 -12.805 -2.791 240 HE2 LYS 31 2HE LYS 31 1.101 -14.514 -1.912 241 HE3 LYS 31 1HE LYS 31 -0.042 -13.190 -1.693 242 HZ1 LYS 31 3HZ LYS 31 -0.416 -14.299 -3.795 243 HZ2 LYS 31 1HZ LYS 31 1.192 -14.025 -4.262 244 HZ3 LYS 31 2HZ LYS 31 0.135 -12.718 -4.068 245 H PHE 32 H PHE 32 4.619 -10.205 -1.072 246 HA PHE 32 HA PHE 32 6.299 -11.512 0.897 247 HB2 PHE 32 2HB PHE 32 6.859 -10.664 -1.947 248 HB3 PHE 32 1HB PHE 32 7.994 -11.542 -0.924 249 HD1 PHE 32 2HD PHE 32 6.516 -13.576 0.359 250 HD2 PHE 32 1HD PHE 32 6.004 -12.034 -3.572 251 HE1 PHE 32 2HE PHE 32 5.481 -15.697 -0.333 252 HE2 PHE 32 1HE PHE 32 4.962 -14.150 -4.271 253 HZ PHE 32 HZ PHE 32 4.702 -15.985 -2.650 254 H GLY 33 H GLY 33 5.684 -8.287 -0.145 255 HA2 GLY 33 2HA GLY 33 6.608 -6.311 0.583 256 HA3 GLY 33 1HA GLY 33 7.566 -7.245 1.725 257 H LYS 34 H LYS 34 7.419 -7.225 -1.817 258 HA LYS 34 HA LYS 34 10.269 -6.457 -1.854 259 HB2 LYS 34 2HB LYS 34 9.416 -8.855 -2.686 260 HB3 LYS 34 1HB LYS 34 9.139 -7.929 -4.146 261 HG2 LYS 34 2HG LYS 34 11.268 -8.837 -4.413 262 HG3 LYS 34 1HG LYS 34 11.544 -7.162 -3.932 263 HD2 LYS 34 2HD LYS 34 13.029 -8.709 -2.736 264 HD3 LYS 34 1HD LYS 34 11.938 -7.864 -1.634 265 HE2 LYS 34 2HE LYS 34 12.096 -10.225 -1.052 266 HE3 LYS 34 1HE LYS 34 10.467 -9.814 -1.587 267 HZ1 LYS 34 3HZ LYS 34 11.102 -11.871 -2.579 268 HZ2 LYS 34 1HZ LYS 34 12.559 -11.220 -3.158 269 HZ3 LYS 34 2HZ LYS 34 11.079 -10.700 -3.803 270 H SER 35 H SER 35 10.651 -4.696 -2.945 271 HA SER 35 HA SER 35 8.847 -2.744 -3.054 272 HB2 SER 35 2HB SER 35 11.272 -2.414 -3.340 273 HB3 SER 35 1HB SER 35 11.131 -2.925 -5.023 274 HG SER 35 HG SER 35 10.838 -0.501 -4.071 275 H MET 36 H MET 36 6.851 -3.259 -3.826 276 HA MET 36 HA MET 36 6.636 -3.538 -6.741 277 HB2 MET 36 2HB MET 36 5.692 -5.382 -5.324 278 HB3 MET 36 1HB MET 36 4.560 -4.221 -4.643 279 HG2 MET 36 2HG MET 36 4.692 -4.615 -7.583 280 HG3 MET 36 1HG MET 36 3.839 -5.785 -6.585 281 HE1 MET 36 3HE MET 36 2.675 -3.946 -4.286 282 HE2 MET 36 1HE MET 36 1.733 -5.196 -5.100 283 HE3 MET 36 2HE MET 36 1.079 -3.565 -4.933 284 H ASN 37 H ASN 37 5.895 -1.886 -7.853 285 HA ASN 37 HA ASN 37 4.887 0.396 -6.287 286 HB2 ASN 37 2HB ASN 37 6.458 0.434 -8.882 287 HB3 ASN 37 1HB ASN 37 5.906 1.848 -7.997 288 HD21 ASN 37 1HD2 ASN 37 7.280 -1.053 -6.552 289 HD22 ASN 37 2HD2 ASN 37 8.715 -0.314 -5.959 290 H MET 38 H MET 38 3.136 1.550 -7.058 291 HA MET 38 HA MET 38 1.912 0.643 -9.554 292 HB2 MET 38 2HB MET 38 0.711 -0.632 -7.935 293 HB3 MET 38 1HB MET 38 0.536 0.758 -6.872 294 HG2 MET 38 2HG MET 38 -0.971 1.813 -8.397 295 HG3 MET 38 1HG MET 38 -0.688 0.568 -9.610 296 HE1 MET 38 3HE MET 38 -0.711 -2.098 -7.898 297 HE2 MET 38 1HE MET 38 -1.554 -1.903 -9.435 298 HE3 MET 38 2HE MET 38 -2.411 -2.555 -8.036 299 HA PRO 39 HA PRO 39 1.599 5.098 -9.902 300 HB2 PRO 39 2HB PRO 39 0.880 5.122 -12.495 301 HB3 PRO 39 1HB PRO 39 2.540 4.770 -11.992 302 HG2 PRO 39 2HG PRO 39 0.351 2.870 -12.757 303 HG3 PRO 39 1HG PRO 39 2.053 2.867 -13.257 304 HD2 PRO 39 2HD PRO 39 1.094 1.268 -11.284 305 HD3 PRO 39 1HD PRO 39 2.756 1.893 -11.294 306 H GLU 40 H GLU 40 -0.116 6.560 -10.824 307 HA GLU 40 HA GLU 40 -2.590 6.024 -9.593 308 HB2 GLU 40 2HB GLU 40 -1.817 8.294 -9.806 309 HB3 GLU 40 1HB GLU 40 -1.760 8.162 -11.558 310 HG2 GLU 40 2HG GLU 40 -4.205 7.909 -11.598 311 HG3 GLU 40 1HG GLU 40 -4.236 8.105 -9.846 312 H GLY 41 H GLY 41 -4.240 4.838 -10.275 313 HA2 GLY 41 2HA GLY 41 -6.074 4.992 -11.905 314 HA3 GLY 41 1HA GLY 41 -4.860 4.951 -13.163 315 H LYS 42 H LYS 42 -3.821 2.769 -10.930 316 HA LYS 42 HA LYS 42 -4.900 0.592 -12.510 317 HB2 LYS 42 2HB LYS 42 -2.815 0.667 -10.339 318 HB3 LYS 42 1HB LYS 42 -3.394 -0.832 -11.053 319 HG2 LYS 42 2HG LYS 42 -2.746 0.225 -13.301 320 HG3 LYS 42 1HG LYS 42 -1.819 1.371 -12.331 321 HD2 LYS 42 2HD LYS 42 -0.520 -0.412 -11.373 322 HD3 LYS 42 1HD LYS 42 -1.533 -1.626 -12.157 323 HE2 LYS 42 2HE LYS 42 -0.825 -0.674 -14.357 324 HE3 LYS 42 1HE LYS 42 0.318 0.345 -13.483 325 HZ1 LYS 42 3HZ LYS 42 1.381 -1.653 -12.626 326 HZ2 LYS 42 1HZ LYS 42 1.382 -1.648 -14.323 327 HZ3 LYS 42 2HZ LYS 42 0.284 -2.626 -13.480 328 H VAL 43 H VAL 43 -6.258 -0.943 -11.866 329 HA VAL 43 HA VAL 43 -7.949 -0.293 -9.600 330 HB VAL 43 HB VAL 43 -8.228 -2.477 -11.669 331 HG11 VAL 43 1HG1 VAL 43 -10.571 -2.561 -10.935 332 HG12 VAL 43 2HG1 VAL 43 -10.205 -1.396 -9.662 333 HG13 VAL 43 3HG1 VAL 43 -9.455 -2.991 -9.640 334 HG21 VAL 43 3HG2 VAL 43 -9.486 0.261 -11.518 335 HG22 VAL 43 1HG2 VAL 43 -9.915 -0.996 -12.682 336 HG23 VAL 43 2HG2 VAL 43 -8.300 -0.288 -12.705 337 H MET 44 H MET 44 -7.888 -1.250 -7.707 338 HA MET 44 HA MET 44 -6.465 -3.821 -7.397 339 HB2 MET 44 2HB MET 44 -6.971 -1.657 -5.352 340 HB3 MET 44 1HB MET 44 -6.087 -3.153 -5.074 341 HG2 MET 44 2HG MET 44 -4.361 -2.476 -6.588 342 HG3 MET 44 1HG MET 44 -5.273 -1.037 -7.042 343 HE1 MET 44 3HE MET 44 -6.396 0.169 -4.449 344 HE2 MET 44 1HE MET 44 -5.463 1.134 -5.594 345 HE3 MET 44 2HE MET 44 -5.073 1.183 -3.873 346 H GLU 45 H GLU 45 -7.901 -5.483 -7.125 347 HA GLU 45 HA GLU 45 -10.438 -4.816 -5.806 348 HB2 GLU 45 2HB GLU 45 -10.615 -5.738 -8.100 349 HB3 GLU 45 1HB GLU 45 -9.843 -7.214 -7.535 350 HG2 GLU 45 2HG GLU 45 -11.664 -7.771 -6.164 351 HG3 GLU 45 1HG GLU 45 -12.364 -6.161 -6.301 352 H THR 46 H THR 46 -10.715 -5.424 -3.823 353 HA THR 46 HA THR 46 -8.893 -7.136 -2.449 354 HB THR 46 HB THR 46 -10.219 -6.723 -0.485 355 HG1 THR 46 1HG THR 46 -12.311 -6.203 -0.567 356 HG21 THR 46 3HG2 THR 46 -10.234 -4.262 -2.239 357 HG22 THR 46 1HG2 THR 46 -8.880 -4.827 -1.259 358 HG23 THR 46 2HG2 THR 46 -10.364 -4.277 -0.478 359 H ARG 47 H ARG 47 -10.152 -8.780 -0.834 360 HA ARG 47 HA ARG 47 -10.950 -10.961 -2.469 361 HB2 ARG 47 2HB ARG 47 -11.157 -10.562 0.519 362 HB3 ARG 47 1HB ARG 47 -11.461 -12.084 -0.304 363 HG2 ARG 47 2HG ARG 47 -8.848 -10.592 -0.332 364 HG3 ARG 47 1HG ARG 47 -9.227 -11.969 0.703 365 HD2 ARG 47 2HD ARG 47 -9.618 -13.333 -1.326 366 HD3 ARG 47 1HD ARG 47 -9.113 -11.957 -2.309 367 HE ARG 47 HE ARG 47 -7.111 -12.517 -0.427 368 HH11 ARG 47 1HH1 ARG 47 -8.532 -13.879 -3.307 369 HH12 ARG 47 2HH1 ARG 47 -7.099 -14.734 -3.779 370 HH21 ARG 47 1HH2 ARG 47 -5.209 -13.644 -1.015 371 HH22 ARG 47 2HH2 ARG 47 -5.201 -14.613 -2.457 372 H ASP 48 H ASP 48 -12.678 -8.347 -1.086 373 HA ASP 48 HA ASP 48 -15.234 -9.722 -0.998 374 HB2 ASP 48 2HB ASP 48 -14.858 -6.741 -0.808 375 HB3 ASP 48 1HB ASP 48 -16.125 -7.729 -0.096 376 H GLY 49 H GLY 49 -13.365 -8.558 -3.428 377 HA2 GLY 49 2HA GLY 49 -13.868 -8.028 -5.633 378 HA3 GLY 49 1HA GLY 49 -15.581 -8.124 -5.231 379 H THR 50 H THR 50 -13.346 -6.207 -3.393 380 HA THR 50 HA THR 50 -14.858 -3.805 -4.078 381 HB THR 50 HB THR 50 -12.699 -4.157 -1.980 382 HG1 THR 50 1HG THR 50 -14.946 -5.353 -1.946 383 HG21 THR 50 3HG2 THR 50 -13.126 -1.827 -2.622 384 HG22 THR 50 1HG2 THR 50 -13.688 -2.145 -0.983 385 HG23 THR 50 2HG2 THR 50 -14.847 -2.049 -2.308 386 H LYS 51 H LYS 51 -14.138 -2.555 -5.639 387 HA LYS 51 HA LYS 51 -11.373 -2.755 -6.488 388 HB2 LYS 51 2HB LYS 51 -13.858 -1.596 -7.693 389 HB3 LYS 51 1HB LYS 51 -12.280 -1.194 -8.317 390 HG2 LYS 51 2HG LYS 51 -11.867 -3.621 -8.649 391 HG3 LYS 51 1HG LYS 51 -13.546 -3.904 -8.178 392 HD2 LYS 51 2HD LYS 51 -14.312 -2.500 -10.002 393 HD3 LYS 51 1HD LYS 51 -12.642 -2.155 -10.459 394 HE2 LYS 51 2HE LYS 51 -13.523 -3.831 -11.919 395 HE3 LYS 51 1HE LYS 51 -12.310 -4.558 -10.872 396 HZ1 LYS 51 3HZ LYS 51 -14.011 -5.542 -9.548 397 HZ2 LYS 51 1HZ LYS 51 -14.337 -5.914 -11.168 398 HZ3 LYS 51 2HZ LYS 51 -15.231 -4.707 -10.382 399 H ILE 52 H ILE 52 -9.953 -1.483 -5.643 400 HA ILE 52 HA ILE 52 -10.687 1.271 -4.905 401 HB ILE 52 HB ILE 52 -8.465 -0.460 -3.788 402 HG12 ILE 52 2HG1 ILE 52 -11.025 0.452 -2.462 403 HG13 ILE 52 1HG1 ILE 52 -10.773 -1.157 -3.133 404 HG21 ILE 52 1HG2 ILE 52 -8.202 1.334 -2.121 405 HG22 ILE 52 2HG2 ILE 52 -9.405 2.293 -2.985 406 HG23 ILE 52 3HG2 ILE 52 -7.870 1.896 -3.760 407 HD11 ILE 52 3HD1 ILE 52 -8.945 -1.508 -1.535 408 HD12 ILE 52 1HD1 ILE 52 -10.487 -1.182 -0.744 409 HD13 ILE 52 2HD1 ILE 52 -9.264 0.085 -0.847 410 H ILE 53 H ILE 53 -9.564 2.888 -5.901 411 HA ILE 53 HA ILE 53 -7.670 2.038 -7.971 412 HB ILE 53 HB ILE 53 -9.298 4.559 -7.657 413 HG12 ILE 53 2HG1 ILE 53 -10.026 3.852 -10.006 414 HG13 ILE 53 1HG1 ILE 53 -9.242 2.315 -9.673 415 HG21 ILE 53 1HG2 ILE 53 -8.280 5.373 -9.740 416 HG22 ILE 53 2HG2 ILE 53 -7.138 4.031 -9.691 417 HG23 ILE 53 3HG2 ILE 53 -7.115 5.256 -8.419 418 HD11 ILE 53 3HD1 ILE 53 -10.741 1.960 -7.781 419 HD12 ILE 53 1HD1 ILE 53 -11.629 2.194 -9.287 420 HD13 ILE 53 2HD1 ILE 53 -11.521 3.507 -8.114 421 H MET 54 H MET 54 -5.577 2.498 -7.892 422 HA MET 54 HA MET 54 -4.422 3.979 -5.716 423 HB2 MET 54 2HB MET 54 -3.423 2.072 -7.317 424 HB3 MET 54 1HB MET 54 -2.886 3.473 -8.222 425 HG2 MET 54 2HG MET 54 -1.075 3.038 -6.875 426 HG3 MET 54 1HG MET 54 -1.928 4.280 -5.959 427 HE1 MET 54 3HE MET 54 0.324 2.252 -4.707 428 HE2 MET 54 1HE MET 54 -0.436 1.943 -3.145 429 HE3 MET 54 2HE MET 54 -0.456 3.569 -3.832 430 H LYS 55 H LYS 55 -4.883 6.145 -5.704 431 HA LYS 55 HA LYS 55 -4.746 7.574 -8.265 432 HB2 LYS 55 2HB LYS 55 -6.101 8.241 -5.660 433 HB3 LYS 55 1HB LYS 55 -5.912 9.411 -6.959 434 HG2 LYS 55 2HG LYS 55 -7.220 8.010 -8.444 435 HG3 LYS 55 1HG LYS 55 -7.372 6.785 -7.179 436 HD2 LYS 55 2HD LYS 55 -8.625 8.298 -5.797 437 HD3 LYS 55 1HD LYS 55 -8.342 9.628 -6.920 438 HE2 LYS 55 2HE LYS 55 -9.877 7.115 -7.558 439 HE3 LYS 55 1HE LYS 55 -10.605 8.658 -7.119 440 HZ1 LYS 55 3HZ LYS 55 -10.629 8.484 -9.469 441 HZ2 LYS 55 1HZ LYS 55 -8.987 8.060 -9.534 442 HZ3 LYS 55 2HZ LYS 55 -9.438 9.627 -9.075 443 H GLY 56 H GLY 56 -4.106 9.992 -7.878 444 HA2 GLY 56 2HA GLY 56 -1.384 10.057 -7.179 445 HA3 GLY 56 1HA GLY 56 -2.399 11.463 -7.457 446 H ASN 57 H ASN 57 -4.218 10.446 -5.257 447 HA ASN 57 HA ASN 57 -2.939 11.789 -3.074 448 HB2 ASN 57 2HB ASN 57 -5.015 10.998 -1.798 449 HB3 ASN 57 1HB ASN 57 -5.282 12.091 -3.150 450 HD21 ASN 57 1HD2 ASN 57 -5.610 8.793 -2.005 451 HD22 ASN 57 2HD2 ASN 57 -6.706 8.284 -3.250 452 H GLU 58 H GLU 58 -2.860 8.594 -4.221 453 HA GLU 58 HA GLU 58 -2.008 7.639 -1.583 454 HB2 GLU 58 2HB GLU 58 -4.329 6.836 -2.885 455 HB3 GLU 58 1HB GLU 58 -3.177 5.544 -3.211 456 HG2 GLU 58 2HG GLU 58 -4.467 5.107 -1.194 457 HG3 GLU 58 1HG GLU 58 -2.748 5.300 -0.841 458 H ILE 59 H ILE 59 0.032 8.276 -2.527 459 HA ILE 59 HA ILE 59 1.167 6.638 -4.572 460 HB ILE 59 HB ILE 59 2.443 8.498 -2.559 461 HG12 ILE 59 2HG1 ILE 59 1.030 9.645 -4.173 462 HG13 ILE 59 1HG1 ILE 59 2.724 9.999 -4.496 463 HG21 ILE 59 1HG2 ILE 59 4.473 8.377 -3.944 464 HG22 ILE 59 2HG2 ILE 59 3.717 7.112 -4.912 465 HG23 ILE 59 3HG2 ILE 59 4.067 6.828 -3.207 466 HD11 ILE 59 3HD1 ILE 59 2.703 8.371 -6.322 467 HD12 ILE 59 1HD1 ILE 59 1.498 9.638 -6.551 468 HD13 ILE 59 2HD1 ILE 59 1.002 8.039 -5.997 469 H PHE 60 H PHE 60 2.685 4.945 -4.276 470 HA PHE 60 HA PHE 60 1.884 3.031 -2.489 471 HB2 PHE 60 2HB PHE 60 3.790 1.715 -3.145 472 HB3 PHE 60 1HB PHE 60 3.208 2.596 -4.548 473 HD1 PHE 60 1HD PHE 60 4.467 4.711 -5.233 474 HD2 PHE 60 2HD PHE 60 6.005 1.866 -2.464 475 HE1 PHE 60 1HE PHE 60 6.738 5.584 -5.601 476 HE2 PHE 60 2HE PHE 60 8.278 2.737 -2.825 477 HZ PHE 60 HZ PHE 60 8.646 4.601 -4.389 478 H ARG 61 H ARG 61 4.696 5.175 -2.126 479 HA ARG 61 HA ARG 61 6.059 5.672 -0.391 480 HB2 ARG 61 2HB ARG 61 3.515 5.152 1.147 481 HB3 ARG 61 1HB ARG 61 4.965 5.842 1.863 482 HG2 ARG 61 2HG ARG 61 3.413 7.045 -0.420 483 HG3 ARG 61 1HG ARG 61 3.307 7.548 1.267 484 HD2 ARG 61 2HD ARG 61 5.657 8.186 1.243 485 HD3 ARG 61 1HD ARG 61 5.812 7.620 -0.420 486 HE ARG 61 HE ARG 61 3.759 9.577 -0.177 487 HH11 ARG 61 1HH1 ARG 61 7.244 9.251 -0.273 488 HH12 ARG 61 2HH1 ARG 61 7.494 10.807 -0.987 489 HH21 ARG 61 1HH2 ARG 61 4.087 11.622 -1.112 490 HH22 ARG 61 2HH2 ARG 61 5.709 12.157 -1.465 491 H LEU 62 H LEU 62 4.221 3.415 1.543 492 HA LEU 62 HA LEU 62 4.597 1.392 2.443 493 HB2 LEU 62 2HB LEU 62 5.473 1.080 -0.056 494 HB3 LEU 62 1HB LEU 62 7.007 0.909 0.761 495 HG LEU 62 HG LEU 62 5.663 -1.213 0.189 496 HD11 LEU 62 1HD1 LEU 62 7.658 -1.193 1.601 497 HD12 LEU 62 2HD1 LEU 62 6.463 -2.362 2.160 498 HD13 LEU 62 3HD1 LEU 62 6.654 -0.825 3.004 499 HD21 LEU 62 3HD2 LEU 62 4.205 -0.361 2.685 500 HD22 LEU 62 1HD2 LEU 62 4.039 -1.908 1.854 501 HD23 LEU 62 2HD2 LEU 62 3.518 -0.420 1.061 502 H ASP 63 H ASP 63 7.863 2.322 1.592 503 HA ASP 63 HA ASP 63 8.626 3.549 3.934 504 HB2 ASP 63 2HB ASP 63 9.830 1.941 5.204 505 HB3 ASP 63 1HB ASP 63 8.215 1.302 4.976 506 H GLU 64 H GLU 64 9.559 1.497 1.254 507 HA GLU 64 HA GLU 64 12.277 2.161 1.117 508 HB2 GLU 64 2HB GLU 64 11.295 0.366 -0.226 509 HB3 GLU 64 1HB GLU 64 10.371 1.543 -1.148 510 HG2 GLU 64 2HG GLU 64 12.444 2.522 -1.983 511 HG3 GLU 64 1HG GLU 64 13.374 1.345 -1.057 512 H ALA 65 H ALA 65 9.419 3.785 -0.075 513 HA ALA 65 HA ALA 65 10.513 5.680 -1.755 514 HB1 ALA 65 1HB ALA 65 8.217 6.116 0.151 515 HB2 ALA 65 2HB ALA 65 8.093 5.263 -1.390 516 HB3 ALA 65 3HB ALA 65 8.522 6.975 -1.363 517 H LEU 66 H LEU 66 10.431 5.564 1.721 518 HA LEU 66 HA LEU 66 11.024 8.353 2.060 519 HB2 LEU 66 2HB LEU 66 10.734 6.067 4.000 520 HB3 LEU 66 1HB LEU 66 11.076 7.709 4.490 521 HG LEU 66 HG LEU 66 8.751 7.358 4.815 522 HD11 LEU 66 1HD1 LEU 66 7.730 9.004 3.337 523 HD12 LEU 66 2HD1 LEU 66 9.123 8.898 2.261 524 HD13 LEU 66 3HD1 LEU 66 9.321 9.527 3.895 525 HD21 LEU 66 3HD2 LEU 66 8.430 5.392 3.431 526 HD22 LEU 66 1HD2 LEU 66 8.610 6.367 1.973 527 HD23 LEU 66 2HD2 LEU 66 7.228 6.622 3.038 528 H ARG 67 H ARG 67 12.877 5.652 1.377 529 HA ARG 67 HA ARG 67 15.265 7.032 2.429 530 HB2 ARG 67 2HB ARG 67 16.415 4.948 2.599 531 HB3 ARG 67 1HB ARG 67 14.856 4.732 3.380 532 HG2 ARG 67 2HG ARG 67 14.010 3.592 1.393 533 HG3 ARG 67 1HG ARG 67 15.570 3.825 0.599 534 HD2 ARG 67 2HD ARG 67 15.373 1.573 1.518 535 HD3 ARG 67 1HD ARG 67 16.656 2.480 2.320 536 HE ARG 67 HE ARG 67 15.389 2.554 4.268 537 HH11 ARG 67 1HH1 ARG 67 13.722 0.840 1.700 538 HH12 ARG 67 2HH1 ARG 67 12.421 0.310 2.738 539 HH21 ARG 67 1HH2 ARG 67 13.717 1.790 5.629 540 HH22 ARG 67 2HH2 ARG 67 12.426 0.835 4.943 541 H LYS 68 H LYS 68 13.496 6.675 -0.226 542 HA LYS 68 HA LYS 68 15.563 5.924 -2.109 543 HB2 LYS 68 2HB LYS 68 12.873 5.605 -2.141 544 HB3 LYS 68 1HB LYS 68 13.020 7.073 -3.098 545 HG2 LYS 68 2HG LYS 68 12.994 5.148 -4.545 546 HG3 LYS 68 1HG LYS 68 14.588 5.907 -4.597 547 HD2 LYS 68 2HD LYS 68 15.466 4.234 -3.078 548 HD3 LYS 68 1HD LYS 68 13.868 3.510 -2.908 549 HE2 LYS 68 2HE LYS 68 15.411 3.693 -5.493 550 HE3 LYS 68 1HE LYS 68 15.356 2.270 -4.454 551 HZ1 LYS 68 3HZ LYS 68 13.785 2.158 -6.320 552 HZ2 LYS 68 1HZ LYS 68 12.983 3.528 -5.727 553 HZ3 LYS 68 2HZ LYS 68 12.996 2.095 -4.820 554 H GLY 69 H GLY 69 13.318 8.690 -2.154 555 HA2 GLY 69 2HA GLY 69 13.627 10.900 -2.675 556 HA3 GLY 69 1HA GLY 69 15.190 10.738 -1.889 557 H HIS 70 H HIS 70 13.477 10.416 -4.960 558 HA HIS 70 HA HIS 70 15.862 11.219 -6.387 559 HB2 HIS 70 2HB HIS 70 16.032 8.689 -6.067 560 HB3 HIS 70 1HB HIS 70 14.631 8.560 -7.125 561 HD1 HIS 70 1HD HIS 70 15.003 9.539 -9.624 562 HD2 HIS 70 2HD HIS 70 18.424 8.876 -7.350 563 HE1 HIS 70 1HE HIS 70 16.906 9.488 -11.261 564 HE2 HIS 70 2HE HIS 70 18.923 8.866 -9.887 565 H SER 71 H SER 71 12.867 9.449 -7.167 566 HA SER 71 HA SER 71 11.943 11.749 -8.714 567 HB2 SER 71 2HB SER 71 11.978 8.964 -9.889 568 HB3 SER 71 1HB SER 71 11.574 10.474 -10.707 569 HG SER 71 HG SER 71 13.702 11.097 -10.624 570 H GLU 72 H GLU 72 11.018 8.333 -8.358 571 HA GLU 72 HA GLU 72 8.318 9.188 -7.606 572 HB2 GLU 72 2HB GLU 72 9.360 6.491 -8.500 573 HB3 GLU 72 1HB GLU 72 7.689 6.832 -8.073 574 HG2 GLU 72 2HG GLU 72 9.223 8.081 -10.343 575 HG3 GLU 72 1HG GLU 72 8.003 6.816 -10.480 576 H GLY 73 H GLY 73 7.515 8.832 -5.615 577 HA2 GLY 73 2HA GLY 73 7.337 7.784 -3.517 578 HA3 GLY 73 1HA GLY 73 8.863 6.964 -3.821 579 H GLY 74 H GLY 74 9.703 9.851 -4.720 580 HA2 GLY 74 2HA GLY 74 9.720 11.650 -2.679 581 HA3 GLY 74 1HA GLY 74 10.983 10.503 -2.243 Start of MODEL 10 1 H1 VAL 1 1HT VAL 1 9.284 0.822 6.115 2 H2 VAL 1 2HT VAL 1 9.806 -0.763 6.431 3 H3 VAL 1 3HT VAL 1 9.849 0.407 7.653 4 HA VAL 1 HA VAL 1 7.478 0.550 7.709 5 HB VAL 1 HB VAL 1 7.529 -1.629 5.598 6 HG11 VAL 1 2HG1 VAL 1 5.173 -0.270 6.918 7 HG12 VAL 1 3HG1 VAL 1 5.718 -1.916 7.238 8 HG13 VAL 1 1HG1 VAL 1 5.097 -1.488 5.644 9 HG21 VAL 1 1HG2 VAL 1 6.388 0.017 4.173 10 HG22 VAL 1 2HG2 VAL 1 8.007 0.547 4.631 11 HG23 VAL 1 3HG2 VAL 1 6.592 1.233 5.432 12 H ASP 2 H ASP 2 7.551 -0.114 9.707 13 HA ASP 2 HA ASP 2 8.360 -2.869 10.291 14 HB2 ASP 2 2HB ASP 2 8.601 -2.099 12.595 15 HB3 ASP 2 1HB ASP 2 9.535 -1.077 11.513 16 H MET 3 H MET 3 5.692 -1.725 9.302 17 HA MET 3 HA MET 3 3.471 -2.089 9.554 18 HB2 MET 3 2HB MET 3 4.449 -4.338 11.319 19 HB3 MET 3 1HB MET 3 2.820 -4.189 10.667 20 HG2 MET 3 2HG MET 3 5.124 -4.177 8.788 21 HG3 MET 3 1HG MET 3 4.629 -5.696 9.512 22 HE1 MET 3 3HE MET 3 2.658 -2.518 8.158 23 HE2 MET 3 1HE MET 3 2.137 -3.141 6.595 24 HE3 MET 3 2HE MET 3 3.855 -2.920 6.927 25 H SER 4 H SER 4 4.896 -0.326 11.448 26 HA SER 4 HA SER 4 3.767 -0.578 14.024 27 HB2 SER 4 2HB SER 4 4.434 1.916 14.125 28 HB3 SER 4 1HB SER 4 5.712 0.721 13.891 29 HG SER 4 HG SER 4 6.154 1.619 12.062 30 H ASN 5 H ASN 5 2.872 1.285 11.153 31 HA ASN 5 HA ASN 5 0.531 2.284 12.621 32 HB2 ASN 5 2HB ASN 5 2.239 3.515 10.492 33 HB3 ASN 5 1HB ASN 5 0.585 4.071 10.734 34 HD21 ASN 5 1HD2 ASN 5 3.127 5.469 11.164 35 HD22 ASN 5 2HD2 ASN 5 3.106 5.971 12.820 36 H VAL 6 H VAL 6 0.752 -0.260 11.026 37 HA VAL 6 HA VAL 6 -1.184 0.297 8.917 38 HB VAL 6 HB VAL 6 0.518 -1.243 8.248 39 HG11 VAL 6 1HG1 VAL 6 1.258 -1.998 10.413 40 HG12 VAL 6 2HG1 VAL 6 0.888 -3.383 9.382 41 HG13 VAL 6 3HG1 VAL 6 -0.242 -2.896 10.647 42 HG21 VAL 6 3HG2 VAL 6 -1.700 -1.736 7.381 43 HG22 VAL 6 1HG2 VAL 6 -2.044 -2.750 8.784 44 HG23 VAL 6 2HG2 VAL 6 -0.795 -3.229 7.635 45 H VAL 7 H VAL 7 -3.303 0.043 9.150 46 HA VAL 7 HA VAL 7 -4.253 -1.037 11.707 47 HB VAL 7 HB VAL 7 -6.430 0.079 11.073 48 HG11 VAL 7 1HG1 VAL 7 -4.896 1.061 12.678 49 HG12 VAL 7 2HG1 VAL 7 -5.650 2.314 11.694 50 HG13 VAL 7 3HG1 VAL 7 -3.987 1.820 11.368 51 HG21 VAL 7 3HG2 VAL 7 -4.695 1.374 8.975 52 HG22 VAL 7 1HG2 VAL 7 -6.354 1.821 9.373 53 HG23 VAL 7 2HG2 VAL 7 -6.013 0.242 8.663 54 H LYS 8 H LYS 8 -4.428 -1.559 8.269 55 HA LYS 8 HA LYS 8 -5.678 -4.110 8.665 56 HB2 LYS 8 2HB LYS 8 -7.588 -2.437 8.689 57 HB3 LYS 8 1HB LYS 8 -7.194 -2.092 7.010 58 HG2 LYS 8 2HG LYS 8 -7.806 -4.237 6.301 59 HG3 LYS 8 1HG LYS 8 -7.795 -4.875 7.947 60 HD2 LYS 8 2HD LYS 8 -10.077 -4.552 7.133 61 HD3 LYS 8 1HD LYS 8 -9.732 -3.498 8.505 62 HE2 LYS 8 2HE LYS 8 -9.258 -1.665 6.894 63 HE3 LYS 8 1HE LYS 8 -9.781 -2.733 5.591 64 HZ1 LYS 8 3HZ LYS 8 -11.946 -2.919 6.771 65 HZ2 LYS 8 1HZ LYS 8 -11.604 -1.358 6.195 66 HZ3 LYS 8 2HZ LYS 8 -11.422 -1.713 7.842 67 H THR 9 H THR 9 -5.533 -5.425 6.846 68 HA THR 9 HA THR 9 -3.998 -4.328 4.592 69 HB THR 9 HB THR 9 -3.492 -6.975 5.975 70 HG1 THR 9 1HG THR 9 -2.603 -5.409 7.238 71 HG21 THR 9 3HG2 THR 9 -2.055 -5.639 3.676 72 HG22 THR 9 1HG2 THR 9 -3.047 -7.095 3.578 73 HG23 THR 9 2HG2 THR 9 -1.536 -7.116 4.488 74 H TYR 10 H TYR 10 -4.917 -4.760 2.683 75 HA TYR 10 HA TYR 10 -6.997 -6.829 2.558 76 HB2 TYR 10 2HB TYR 10 -6.320 -4.867 0.368 77 HB3 TYR 10 1HB TYR 10 -7.800 -5.789 0.573 78 HD1 TYR 10 2HD TYR 10 -8.947 -5.243 3.013 79 HD2 TYR 10 1HD TYR 10 -6.498 -2.647 0.711 80 HE1 TYR 10 2HE TYR 10 -9.963 -3.296 4.130 81 HE2 TYR 10 1HE TYR 10 -7.505 -0.693 1.791 82 HH TYR 10 HH TYR 10 -9.532 -0.088 2.990 83 H ASP 11 H ASP 11 -6.686 -8.682 1.430 84 HA ASP 11 HA ASP 11 -4.159 -9.014 0.018 85 HB2 ASP 11 2HB ASP 11 -5.159 -10.803 1.561 86 HB3 ASP 11 1HB ASP 11 -6.337 -11.083 0.282 87 H LEU 12 H LEU 12 -3.978 -8.926 -2.134 88 HA LEU 12 HA LEU 12 -6.388 -8.189 -3.601 89 HB2 LEU 12 2HB LEU 12 -3.454 -7.843 -4.156 90 HB3 LEU 12 1HB LEU 12 -4.662 -7.575 -5.390 91 HG LEU 12 HG LEU 12 -4.189 -5.442 -4.565 92 HD11 LEU 12 1HD1 LEU 12 -6.616 -6.408 -3.070 93 HD12 LEU 12 2HD1 LEU 12 -6.571 -5.807 -4.729 94 HD13 LEU 12 3HD1 LEU 12 -6.209 -4.722 -3.388 95 HD21 LEU 12 3HD2 LEU 12 -4.073 -4.867 -2.207 96 HD22 LEU 12 1HD2 LEU 12 -2.909 -6.129 -2.610 97 HD23 LEU 12 2HD2 LEU 12 -4.404 -6.545 -1.772 98 H GLN 13 H GLN 13 -7.203 -9.294 -5.246 99 HA GLN 13 HA GLN 13 -6.653 -12.026 -5.586 100 HB2 GLN 13 2HB GLN 13 -8.194 -10.025 -7.221 101 HB3 GLN 13 1HB GLN 13 -8.069 -11.711 -7.700 102 HG2 GLN 13 2HG GLN 13 -9.122 -12.410 -5.644 103 HG3 GLN 13 1HG GLN 13 -9.159 -10.744 -5.066 104 HE21 GLN 13 1HE2 GLN 13 -10.665 -9.333 -5.885 105 HE22 GLN 13 2HE2 GLN 13 -11.993 -9.833 -6.876 106 H ASP 14 H ASP 14 -5.176 -9.272 -6.909 107 HA ASP 14 HA ASP 14 -4.151 -10.339 -9.319 108 HB2 ASP 14 2HB ASP 14 -4.159 -7.995 -9.140 109 HB3 ASP 14 1HB ASP 14 -3.394 -8.027 -7.557 110 H GLY 15 H GLY 15 -3.261 -10.668 -6.013 111 HA2 GLY 15 2HA GLY 15 -1.680 -12.429 -5.426 112 HA3 GLY 15 1HA GLY 15 -0.744 -11.960 -6.840 113 H SER 16 H SER 16 -2.017 -9.285 -5.346 114 HA SER 16 HA SER 16 0.507 -8.749 -3.964 115 HB2 SER 16 2HB SER 16 -1.576 -6.817 -5.003 116 HB3 SER 16 1HB SER 16 -0.056 -6.381 -4.223 117 HG SER 16 HG SER 16 -0.485 -7.541 -6.768 118 H LYS 17 H LYS 17 0.020 -6.915 -2.177 119 HA LYS 17 HA LYS 17 -2.445 -7.375 -0.737 120 HB2 LYS 17 2HB LYS 17 -0.524 -9.152 -0.151 121 HB3 LYS 17 1HB LYS 17 0.016 -7.830 0.878 122 HG2 LYS 17 2HG LYS 17 -2.092 -7.822 2.048 123 HG3 LYS 17 1HG LYS 17 -2.744 -9.040 0.952 124 HD2 LYS 17 2HD LYS 17 -0.909 -10.569 1.717 125 HD3 LYS 17 1HD LYS 17 -0.507 -9.366 2.943 126 HE2 LYS 17 2HE LYS 17 -2.754 -9.556 3.875 127 HE3 LYS 17 1HE LYS 17 -3.177 -10.738 2.637 128 HZ1 LYS 17 3HZ LYS 17 -2.605 -11.804 4.732 129 HZ2 LYS 17 1HZ LYS 17 -1.072 -11.081 4.707 130 HZ3 LYS 17 2HZ LYS 17 -1.485 -12.219 3.527 131 H VAL 18 H VAL 18 -3.004 -5.491 0.209 132 HA VAL 18 HA VAL 18 -0.930 -3.404 0.209 133 HB VAL 18 HB VAL 18 -2.739 -2.934 -1.324 134 HG11 VAL 18 1HG1 VAL 18 -5.031 -2.547 -0.561 135 HG12 VAL 18 2HG1 VAL 18 -4.580 -3.122 1.045 136 HG13 VAL 18 3HG1 VAL 18 -4.521 -4.221 -0.333 137 HG21 VAL 18 3HG2 VAL 18 -3.494 -0.741 -0.402 138 HG22 VAL 18 1HG2 VAL 18 -1.749 -1.017 -0.333 139 HG23 VAL 18 2HG2 VAL 18 -2.734 -1.190 1.124 140 H HIS 19 H HIS 19 -0.307 -2.551 2.086 141 HA HIS 19 HA HIS 19 -1.808 -3.305 4.507 142 HB2 HIS 19 2HB HIS 19 0.878 -2.017 4.684 143 HB3 HIS 19 1HB HIS 19 0.166 -3.261 5.703 144 HD1 HIS 19 1HD HIS 19 0.006 -5.720 4.379 145 HD2 HIS 19 2HD HIS 19 2.796 -2.934 3.065 146 HE1 HIS 19 1HE HIS 19 1.654 -7.019 2.988 147 HE2 HIS 19 2HE HIS 19 3.444 -5.353 2.371 148 H VAL 20 H VAL 20 -3.291 -1.755 4.922 149 HA VAL 20 HA VAL 20 -2.810 0.981 4.089 150 HB VAL 20 HB VAL 20 -5.191 0.075 5.688 151 HG11 VAL 20 1HG1 VAL 20 -4.912 2.464 5.186 152 HG12 VAL 20 2HG1 VAL 20 -6.337 1.782 4.401 153 HG13 VAL 20 3HG1 VAL 20 -4.870 2.079 3.465 154 HG21 VAL 20 3HG2 VAL 20 -6.296 -0.571 3.592 155 HG22 VAL 20 1HG2 VAL 20 -4.903 -1.597 3.940 156 HG23 VAL 20 2HG2 VAL 20 -4.781 -0.323 2.727 157 H PHE 21 H PHE 21 -2.366 2.679 5.357 158 HA PHE 21 HA PHE 21 -1.630 2.000 8.116 159 HB2 PHE 21 2HB PHE 21 -0.521 4.143 6.295 160 HB3 PHE 21 1HB PHE 21 0.029 3.813 7.933 161 HD1 PHE 21 2HD PHE 21 0.751 1.258 8.331 162 HD2 PHE 21 1HD PHE 21 0.637 3.221 4.553 163 HE1 PHE 21 2HE PHE 21 2.324 -0.389 7.429 164 HE2 PHE 21 1HE PHE 21 2.212 1.570 3.651 165 HZ PHE 21 HZ PHE 21 3.055 -0.236 5.086 166 H LYS 22 H LYS 22 -1.653 3.823 9.650 167 HA LYS 22 HA LYS 22 -4.275 4.730 10.011 168 HB2 LYS 22 2HB LYS 22 -1.761 5.781 11.326 169 HB3 LYS 22 1HB LYS 22 -3.402 5.941 11.941 170 HG2 LYS 22 2HG LYS 22 -3.562 3.631 12.392 171 HG3 LYS 22 1HG LYS 22 -2.104 3.276 11.463 172 HD2 LYS 22 2HD LYS 22 -0.818 4.628 13.120 173 HD3 LYS 22 1HD LYS 22 -2.288 4.745 14.088 174 HE2 LYS 22 2HE LYS 22 -2.343 2.385 14.432 175 HE3 LYS 22 1HE LYS 22 -1.077 2.123 13.232 176 HZ1 LYS 22 3HZ LYS 22 -0.138 1.955 15.421 177 HZ2 LYS 22 1HZ LYS 22 -0.769 3.468 15.865 178 HZ3 LYS 22 2HZ LYS 22 0.447 3.366 14.690 179 H ASP 23 H ASP 23 -1.634 6.178 8.340 180 HA ASP 23 HA ASP 23 -2.433 8.901 8.529 181 HB2 ASP 23 2HB ASP 23 -0.856 7.692 6.260 182 HB3 ASP 23 1HB ASP 23 -0.792 9.343 6.865 183 H GLY 24 H GLY 24 -3.735 6.286 6.886 184 HA2 GLY 24 2HA GLY 24 -5.725 6.415 5.602 185 HA3 GLY 24 1HA GLY 24 -5.292 8.059 5.145 186 H LYS 25 H LYS 25 -2.509 6.440 4.933 187 HA LYS 25 HA LYS 25 -2.786 6.115 2.051 188 HB2 LYS 25 2HB LYS 25 -0.389 6.018 1.972 189 HB3 LYS 25 1HB LYS 25 -0.900 7.439 2.871 190 HG2 LYS 25 2HG LYS 25 -0.229 6.524 4.918 191 HG3 LYS 25 1HG LYS 25 -0.115 4.891 4.244 192 HD2 LYS 25 2HD LYS 25 1.698 5.669 2.775 193 HD3 LYS 25 1HD LYS 25 1.622 7.247 3.556 194 HE2 LYS 25 2HE LYS 25 2.135 4.692 5.051 195 HE3 LYS 25 1HE LYS 25 3.427 5.686 4.386 196 HZ1 LYS 25 3HZ LYS 25 2.492 7.558 5.732 197 HZ2 LYS 25 1HZ LYS 25 3.160 6.292 6.646 198 HZ3 LYS 25 2HZ LYS 25 1.478 6.436 6.501 199 H MET 26 H MET 26 -1.572 4.199 1.109 200 HA MET 26 HA MET 26 -2.049 1.843 2.801 201 HB2 MET 26 2HB MET 26 -2.901 1.924 -0.081 202 HB3 MET 26 1HB MET 26 -3.355 0.767 1.162 203 HG2 MET 26 2HG MET 26 -4.631 2.541 2.301 204 HG3 MET 26 1HG MET 26 -4.231 3.640 0.980 205 HE1 MET 26 3HE MET 26 -4.750 2.878 -1.608 206 HE2 MET 26 1HE MET 26 -5.883 1.584 -2.015 207 HE3 MET 26 2HE MET 26 -4.314 1.193 -1.311 208 H GLY 27 H GLY 27 -0.255 0.712 2.863 209 HA2 GLY 27 2HA GLY 27 1.895 1.210 1.055 210 HA3 GLY 27 1HA GLY 27 1.864 0.006 2.323 211 H MET 28 H MET 28 1.591 0.622 -0.966 212 HA MET 28 HA MET 28 0.280 -1.817 -1.679 213 HB2 MET 28 2HB MET 28 0.066 0.170 -3.065 214 HB3 MET 28 1HB MET 28 1.802 0.190 -3.342 215 HG2 MET 28 2HG MET 28 1.179 -0.824 -5.239 216 HG3 MET 28 1HG MET 28 1.305 -2.244 -4.211 217 HE1 MET 28 3HE MET 28 -2.652 -2.524 -3.298 218 HE2 MET 28 1HE MET 28 -1.545 -1.412 -2.487 219 HE3 MET 28 2HE MET 28 -1.051 -3.081 -2.807 220 H GLU 29 H GLU 29 1.213 -3.673 -1.445 221 HA GLU 29 HA GLU 29 3.839 -4.151 -2.611 222 HB2 GLU 29 2HB GLU 29 4.177 -3.765 -0.147 223 HB3 GLU 29 1HB GLU 29 3.043 -5.050 0.170 224 HG2 GLU 29 2HG GLU 29 4.573 -6.646 -0.798 225 HG3 GLU 29 1HG GLU 29 5.687 -5.342 -1.219 226 H ASN 30 H ASN 30 4.057 -6.690 -2.671 227 HA ASN 30 HA ASN 30 1.367 -7.837 -2.749 228 HB2 ASN 30 2HB ASN 30 2.383 -9.752 -3.949 229 HB3 ASN 30 1HB ASN 30 2.546 -8.239 -4.809 230 HD21 ASN 30 1HD2 ASN 30 4.200 -9.047 -6.026 231 HD22 ASN 30 2HD2 ASN 30 5.799 -9.266 -5.398 232 H LYS 31 H LYS 31 1.259 -10.126 -1.816 233 HA LYS 31 HA LYS 31 2.066 -9.883 0.902 234 HB2 LYS 31 2HB LYS 31 1.186 -12.197 1.187 235 HB3 LYS 31 1HB LYS 31 0.043 -11.070 0.474 236 HG2 LYS 31 2HG LYS 31 1.693 -12.849 -1.264 237 HG3 LYS 31 1HG LYS 31 0.235 -13.449 -0.481 238 HD2 LYS 31 2HD LYS 31 -0.670 -11.121 -1.510 239 HD3 LYS 31 1HD LYS 31 0.558 -11.556 -2.703 240 HE2 LYS 31 2HE LYS 31 -1.561 -12.461 -3.396 241 HE3 LYS 31 1HE LYS 31 -0.498 -13.784 -2.922 242 HZ1 LYS 31 3HZ LYS 31 -2.707 -14.117 -2.048 243 HZ2 LYS 31 1HZ LYS 31 -2.674 -12.611 -1.263 244 HZ3 LYS 31 2HZ LYS 31 -1.629 -13.848 -0.769 245 H PHE 32 H PHE 32 3.685 -10.905 -1.797 246 HA PHE 32 HA PHE 32 5.487 -12.727 -0.494 247 HB2 PHE 32 2HB PHE 32 5.773 -11.393 -3.186 248 HB3 PHE 32 1HB PHE 32 6.577 -12.862 -2.635 249 HD1 PHE 32 2HD PHE 32 4.934 -14.780 -1.872 250 HD2 PHE 32 1HD PHE 32 3.904 -11.594 -4.500 251 HE1 PHE 32 2HE PHE 32 3.107 -16.139 -2.797 252 HE2 PHE 32 1HE PHE 32 2.075 -12.951 -5.430 253 HZ PHE 32 HZ PHE 32 1.600 -15.168 -4.490 254 H GLY 33 H GLY 33 5.164 -9.321 -0.798 255 HA2 GLY 33 2HA GLY 33 6.450 -7.608 0.032 256 HA3 GLY 33 1HA GLY 33 7.502 -8.825 0.755 257 H LYS 34 H LYS 34 6.849 -8.906 -2.634 258 HA LYS 34 HA LYS 34 9.661 -8.487 -3.200 259 HB2 LYS 34 2HB LYS 34 8.224 -10.265 -4.303 260 HB3 LYS 34 1HB LYS 34 7.415 -8.964 -5.162 261 HG2 LYS 34 2HG LYS 34 9.114 -10.033 -6.536 262 HG3 LYS 34 1HG LYS 34 9.488 -8.338 -6.236 263 HD2 LYS 34 2HD LYS 34 11.513 -9.596 -6.022 264 HD3 LYS 34 1HD LYS 34 11.025 -9.063 -4.414 265 HE2 LYS 34 2HE LYS 34 10.293 -11.782 -5.457 266 HE3 LYS 34 1HE LYS 34 11.857 -11.478 -4.707 267 HZ1 LYS 34 3HZ LYS 34 10.461 -12.277 -3.022 268 HZ2 LYS 34 1HZ LYS 34 9.177 -11.267 -3.469 269 HZ3 LYS 34 2HZ LYS 34 10.563 -10.606 -2.751 270 H SER 35 H SER 35 10.360 -6.905 -4.817 271 HA SER 35 HA SER 35 9.343 -4.355 -4.105 272 HB2 SER 35 2HB SER 35 11.747 -4.854 -4.643 273 HB3 SER 35 1HB SER 35 11.283 -4.986 -6.340 274 HG SER 35 HG SER 35 11.634 -2.908 -6.353 275 H MET 36 H MET 36 7.446 -3.704 -4.794 276 HA MET 36 HA MET 36 6.947 -3.656 -7.686 277 HB2 MET 36 2HB MET 36 4.552 -4.126 -7.277 278 HB3 MET 36 1HB MET 36 5.565 -5.463 -6.753 279 HG2 MET 36 2HG MET 36 4.285 -5.370 -4.921 280 HG3 MET 36 1HG MET 36 5.392 -4.080 -4.456 281 HE1 MET 36 3HE MET 36 1.900 -5.154 -4.738 282 HE2 MET 36 1HE MET 36 1.956 -4.688 -6.443 283 HE3 MET 36 2HE MET 36 0.948 -3.771 -5.309 284 H ASN 37 H ASN 37 5.369 -1.953 -8.249 285 HA ASN 37 HA ASN 37 5.334 0.283 -6.368 286 HB2 ASN 37 2HB ASN 37 6.213 1.783 -8.213 287 HB3 ASN 37 1HB ASN 37 7.399 0.673 -7.527 288 HD21 ASN 37 1HD2 ASN 37 8.098 -1.088 -8.736 289 HD22 ASN 37 2HD2 ASN 37 7.851 -1.191 -10.442 290 H MET 38 H MET 38 3.820 1.935 -6.942 291 HA MET 38 HA MET 38 2.098 1.341 -9.213 292 HB2 MET 38 2HB MET 38 1.343 0.827 -6.466 293 HB3 MET 38 1HB MET 38 0.245 1.956 -7.251 294 HG2 MET 38 2HG MET 38 0.554 0.105 -9.186 295 HG3 MET 38 1HG MET 38 0.684 -0.882 -7.745 296 HE1 MET 38 3HE MET 38 -2.929 -1.675 -8.743 297 HE2 MET 38 1HE MET 38 -1.341 -2.302 -8.295 298 HE3 MET 38 2HE MET 38 -1.556 -1.448 -9.826 299 HA PRO 39 HA PRO 39 1.976 5.780 -9.388 300 HB2 PRO 39 2HB PRO 39 0.555 5.891 -11.668 301 HB3 PRO 39 1HB PRO 39 2.260 5.420 -11.665 302 HG2 PRO 39 2HG PRO 39 -0.182 3.679 -11.759 303 HG3 PRO 39 1HG PRO 39 1.301 3.571 -12.727 304 HD2 PRO 39 2HD PRO 39 0.826 2.022 -10.556 305 HD3 PRO 39 1HD PRO 39 2.458 2.513 -11.051 306 H GLU 40 H GLU 40 -0.052 7.237 -10.156 307 HA GLU 40 HA GLU 40 -2.156 6.556 -8.255 308 HB2 GLU 40 2HB GLU 40 -2.954 8.910 -8.714 309 HB3 GLU 40 1HB GLU 40 -1.374 8.776 -7.961 310 HG2 GLU 40 2HG GLU 40 -1.721 9.135 -10.922 311 HG3 GLU 40 1HG GLU 40 -1.635 10.493 -9.803 312 H GLY 41 H GLY 41 -4.167 6.008 -8.781 313 HA2 GLY 41 2HA GLY 41 -6.122 6.310 -10.160 314 HA3 GLY 41 1HA GLY 41 -5.062 6.481 -11.550 315 H LYS 42 H LYS 42 -3.726 4.063 -9.880 316 HA LYS 42 HA LYS 42 -4.661 2.037 -11.637 317 HB2 LYS 42 2HB LYS 42 -2.879 2.042 -9.220 318 HB3 LYS 42 1HB LYS 42 -3.325 0.547 -10.026 319 HG2 LYS 42 2HG LYS 42 -2.017 2.852 -11.438 320 HG3 LYS 42 1HG LYS 42 -1.121 1.524 -10.695 321 HD2 LYS 42 2HD LYS 42 -2.372 -0.066 -12.103 322 HD3 LYS 42 1HD LYS 42 -3.182 1.294 -12.883 323 HE2 LYS 42 2HE LYS 42 -1.085 2.110 -13.742 324 HE3 LYS 42 1HE LYS 42 -0.197 0.876 -12.847 325 HZ1 LYS 42 3HZ LYS 42 -1.180 -0.821 -14.191 326 HZ2 LYS 42 1HZ LYS 42 -0.497 0.345 -15.217 327 HZ3 LYS 42 2HZ LYS 42 -2.182 0.293 -14.984 328 H VAL 43 H VAL 43 -5.491 -0.084 -10.832 329 HA VAL 43 HA VAL 43 -7.568 0.353 -8.778 330 HB VAL 43 HB VAL 43 -7.914 -1.174 -11.364 331 HG11 VAL 43 1HG1 VAL 43 -10.286 -1.224 -10.727 332 HG12 VAL 43 2HG1 VAL 43 -9.876 -0.462 -9.191 333 HG13 VAL 43 3HG1 VAL 43 -9.263 -2.073 -9.569 334 HG21 VAL 43 3HG2 VAL 43 -7.763 1.221 -11.796 335 HG22 VAL 43 1HG2 VAL 43 -8.998 1.529 -10.575 336 HG23 VAL 43 2HG2 VAL 43 -9.412 0.643 -12.044 337 H MET 44 H MET 44 -7.368 -1.052 -7.158 338 HA MET 44 HA MET 44 -6.387 -3.774 -7.756 339 HB2 MET 44 2HB MET 44 -6.344 -2.319 -5.106 340 HB3 MET 44 1HB MET 44 -5.770 -3.953 -5.387 341 HG2 MET 44 2HG MET 44 -3.784 -2.949 -5.518 342 HG3 MET 44 1HG MET 44 -4.282 -2.609 -7.176 343 HE1 MET 44 3HE MET 44 -5.039 0.475 -3.834 344 HE2 MET 44 1HE MET 44 -4.441 -1.144 -3.482 345 HE3 MET 44 2HE MET 44 -6.057 -0.929 -4.156 346 H GLU 45 H GLU 45 -7.722 -5.481 -7.200 347 HA GLU 45 HA GLU 45 -10.165 -4.764 -5.727 348 HB2 GLU 45 2HB GLU 45 -10.484 -5.536 -8.123 349 HB3 GLU 45 1HB GLU 45 -9.909 -7.118 -7.599 350 HG2 GLU 45 2HG GLU 45 -11.728 -7.251 -5.988 351 HG3 GLU 45 1HG GLU 45 -12.305 -5.668 -6.500 352 H THR 46 H THR 46 -10.313 -5.557 -3.772 353 HA THR 46 HA THR 46 -8.412 -7.374 -2.697 354 HB THR 46 HB THR 46 -9.629 -7.188 -0.624 355 HG1 THR 46 1HG THR 46 -11.723 -6.039 -0.708 356 HG21 THR 46 3HG2 THR 46 -8.376 -5.193 -1.293 357 HG22 THR 46 1HG2 THR 46 -9.820 -4.756 -0.381 358 HG23 THR 46 2HG2 THR 46 -9.799 -4.576 -2.135 359 H ARG 47 H ARG 47 -9.151 -9.403 -1.466 360 HA ARG 47 HA ARG 47 -10.426 -11.192 -3.263 361 HB2 ARG 47 2HB ARG 47 -9.687 -11.504 -0.355 362 HB3 ARG 47 1HB ARG 47 -10.328 -12.806 -1.348 363 HG2 ARG 47 2HG ARG 47 -8.398 -12.515 -2.875 364 HG3 ARG 47 1HG ARG 47 -7.743 -11.325 -1.749 365 HD2 ARG 47 2HD ARG 47 -6.692 -13.409 -1.287 366 HD3 ARG 47 1HD ARG 47 -7.822 -13.076 0.025 367 HE ARG 47 HE ARG 47 -8.838 -14.738 -2.127 368 HH11 ARG 47 1HH1 ARG 47 -7.422 -14.593 1.075 369 HH12 ARG 47 2HH1 ARG 47 -7.810 -16.241 1.466 370 HH21 ARG 47 1HH2 ARG 47 -9.364 -16.909 -1.618 371 HH22 ARG 47 2HH2 ARG 47 -8.908 -17.564 -0.074 372 H ASP 48 H ASP 48 -11.750 -8.889 -1.281 373 HA ASP 48 HA ASP 48 -14.187 -10.371 -0.677 374 HB2 ASP 48 2HB ASP 48 -13.280 -8.821 1.008 375 HB3 ASP 48 1HB ASP 48 -13.398 -7.492 -0.140 376 H GLY 49 H GLY 49 -12.861 -8.597 -3.192 377 HA2 GLY 49 2HA GLY 49 -13.903 -8.122 -5.252 378 HA3 GLY 49 1HA GLY 49 -15.472 -8.224 -4.460 379 H THR 50 H THR 50 -12.879 -6.417 -3.060 380 HA THR 50 HA THR 50 -14.439 -3.961 -3.420 381 HB THR 50 HB THR 50 -12.063 -4.329 -1.605 382 HG1 THR 50 1HG THR 50 -14.124 -5.806 -1.377 383 HG21 THR 50 3HG2 THR 50 -13.138 -2.530 -0.323 384 HG22 THR 50 1HG2 THR 50 -14.449 -2.475 -1.505 385 HG23 THR 50 2HG2 THR 50 -12.809 -2.033 -1.982 386 H LYS 51 H LYS 51 -13.842 -2.867 -5.192 387 HA LYS 51 HA LYS 51 -11.065 -2.867 -6.028 388 HB2 LYS 51 2HB LYS 51 -13.642 -2.165 -7.262 389 HB3 LYS 51 1HB LYS 51 -12.288 -1.152 -7.735 390 HG2 LYS 51 2HG LYS 51 -11.027 -3.239 -8.285 391 HG3 LYS 51 1HG LYS 51 -12.515 -4.136 -7.995 392 HD2 LYS 51 2HD LYS 51 -12.236 -1.907 -10.004 393 HD3 LYS 51 1HD LYS 51 -12.084 -3.622 -10.395 394 HE2 LYS 51 2HE LYS 51 -14.389 -3.958 -9.489 395 HE3 LYS 51 1HE LYS 51 -14.520 -2.209 -9.311 396 HZ1 LYS 51 3HZ LYS 51 -14.086 -2.045 -11.739 397 HZ2 LYS 51 1HZ LYS 51 -15.540 -2.826 -11.353 398 HZ3 LYS 51 2HZ LYS 51 -14.194 -3.736 -11.839 399 H ILE 52 H ILE 52 -9.666 -1.457 -5.406 400 HA ILE 52 HA ILE 52 -10.580 1.141 -4.359 401 HB ILE 52 HB ILE 52 -8.246 -0.540 -3.418 402 HG12 ILE 52 2HG1 ILE 52 -10.812 0.188 -1.988 403 HG13 ILE 52 1HG1 ILE 52 -10.502 -1.368 -2.752 404 HG21 ILE 52 1HG2 ILE 52 -7.760 1.844 -3.276 405 HG22 ILE 52 2HG2 ILE 52 -7.974 1.149 -1.670 406 HG23 ILE 52 3HG2 ILE 52 -9.265 2.109 -2.396 407 HD11 ILE 52 3HD1 ILE 52 -8.639 -1.737 -1.210 408 HD12 ILE 52 1HD1 ILE 52 -10.166 -1.495 -0.363 409 HD13 ILE 52 2HD1 ILE 52 -8.983 -0.189 -0.439 410 H ILE 53 H ILE 53 -9.637 2.900 -5.211 411 HA ILE 53 HA ILE 53 -7.762 2.488 -7.393 412 HB ILE 53 HB ILE 53 -9.326 4.939 -6.550 413 HG12 ILE 53 2HG1 ILE 53 -10.328 4.568 -8.887 414 HG13 ILE 53 1HG1 ILE 53 -9.592 2.972 -8.824 415 HG21 ILE 53 1HG2 ILE 53 -7.505 4.630 -8.932 416 HG22 ILE 53 2HG2 ILE 53 -7.161 5.591 -7.494 417 HG23 ILE 53 3HG2 ILE 53 -8.498 6.038 -8.554 418 HD11 ILE 53 3HD1 ILE 53 -11.638 4.043 -6.893 419 HD12 ILE 53 1HD1 ILE 53 -10.913 2.435 -6.849 420 HD13 ILE 53 2HD1 ILE 53 -11.939 2.905 -8.203 421 H MET 54 H MET 54 -5.724 3.258 -7.464 422 HA MET 54 HA MET 54 -4.431 3.864 -4.949 423 HB2 MET 54 2HB MET 54 -3.607 2.394 -6.944 424 HB3 MET 54 1HB MET 54 -3.090 3.918 -7.633 425 HG2 MET 54 2HG MET 54 -1.180 3.190 -6.589 426 HG3 MET 54 1HG MET 54 -1.877 4.261 -5.373 427 HE1 MET 54 3HE MET 54 -0.272 1.536 -3.111 428 HE2 MET 54 1HE MET 54 -0.336 3.243 -3.551 429 HE3 MET 54 2HE MET 54 0.391 2.076 -4.658 430 H LYS 55 H LYS 55 -6.250 5.909 -5.868 431 HA LYS 55 HA LYS 55 -4.395 8.166 -5.926 432 HB2 LYS 55 2HB LYS 55 -5.008 7.704 -8.295 433 HB3 LYS 55 1HB LYS 55 -6.702 7.917 -7.875 434 HG2 LYS 55 2HG LYS 55 -6.222 10.243 -7.222 435 HG3 LYS 55 1HG LYS 55 -4.547 10.017 -7.725 436 HD2 LYS 55 2HD LYS 55 -5.261 9.588 -10.005 437 HD3 LYS 55 1HD LYS 55 -6.954 9.715 -9.519 438 HE2 LYS 55 2HE LYS 55 -6.535 12.057 -8.829 439 HE3 LYS 55 1HE LYS 55 -4.885 11.912 -9.432 440 HZ1 LYS 55 3HZ LYS 55 -7.317 11.536 -11.097 441 HZ2 LYS 55 1HZ LYS 55 -5.711 11.580 -11.641 442 HZ3 LYS 55 2HZ LYS 55 -6.434 12.980 -11.011 443 H GLY 56 H GLY 56 -5.387 10.157 -5.188 444 HA2 GLY 56 2HA GLY 56 -7.019 11.425 -4.107 445 HA3 GLY 56 1HA GLY 56 -8.100 10.039 -4.171 446 H ASN 57 H ASN 57 -7.115 8.115 -2.825 447 HA ASN 57 HA ASN 57 -6.707 9.199 -0.145 448 HB2 ASN 57 2HB ASN 57 -7.241 6.841 0.604 449 HB3 ASN 57 1HB ASN 57 -8.556 7.693 -0.190 450 HD21 ASN 57 1HD2 ASN 57 -5.825 6.180 -1.856 451 HD22 ASN 57 2HD2 ASN 57 -6.765 4.962 -2.645 452 H GLU 58 H GLU 58 -4.910 8.120 -2.657 453 HA GLU 58 HA GLU 58 -2.742 7.395 -0.859 454 HB2 GLU 58 2HB GLU 58 -3.630 5.292 -1.797 455 HB3 GLU 58 1HB GLU 58 -3.312 5.903 -3.417 456 HG2 GLU 58 2HG GLU 58 -1.597 4.334 -2.450 457 HG3 GLU 58 1HG GLU 58 -0.984 5.861 -3.089 458 H ILE 59 H ILE 59 -1.909 9.352 -1.052 459 HA ILE 59 HA ILE 59 -0.983 10.170 -3.716 460 HB ILE 59 HB ILE 59 -1.221 11.875 -1.229 461 HG12 ILE 59 2HG1 ILE 59 -3.428 11.131 -1.984 462 HG13 ILE 59 1HG1 ILE 59 -3.212 12.851 -2.283 463 HG21 ILE 59 1HG2 ILE 59 0.435 12.717 -2.779 464 HG22 ILE 59 2HG2 ILE 59 -0.987 13.760 -2.789 465 HG23 ILE 59 3HG2 ILE 59 -0.721 12.619 -4.106 466 HD11 ILE 59 3HD1 ILE 59 -2.944 10.669 -4.339 467 HD12 ILE 59 1HD1 ILE 59 -2.775 12.401 -4.628 468 HD13 ILE 59 2HD1 ILE 59 -4.333 11.738 -4.135 469 H PHE 60 H PHE 60 0.050 8.894 -0.733 470 HA PHE 60 HA PHE 60 2.712 10.132 -0.927 471 HB2 PHE 60 2HB PHE 60 1.505 10.391 1.214 472 HB3 PHE 60 1HB PHE 60 1.468 8.640 1.392 473 HD1 PHE 60 1HD PHE 60 3.856 11.462 0.956 474 HD2 PHE 60 2HD PHE 60 3.155 7.588 2.560 475 HE1 PHE 60 1HE PHE 60 6.040 11.536 2.088 476 HE2 PHE 60 2HE PHE 60 5.331 7.653 3.696 477 HZ PHE 60 HZ PHE 60 6.780 9.628 3.460 478 H ARG 61 H ARG 61 1.129 6.987 -0.537 479 HA ARG 61 HA ARG 61 1.777 4.862 -0.948 480 HB2 ARG 61 2HB ARG 61 3.942 6.124 -2.638 481 HB3 ARG 61 1HB ARG 61 3.500 4.426 -2.658 482 HG2 ARG 61 2HG ARG 61 2.398 5.207 -4.506 483 HG3 ARG 61 1HG ARG 61 1.134 5.343 -3.279 484 HD2 ARG 61 2HD ARG 61 1.597 7.694 -3.008 485 HD3 ARG 61 1HD ARG 61 2.970 7.588 -4.106 486 HE ARG 61 HE ARG 61 0.244 7.014 -5.047 487 HH11 ARG 61 1HH1 ARG 61 3.188 8.900 -5.205 488 HH12 ARG 61 2HH1 ARG 61 2.786 9.639 -6.724 489 HH21 ARG 61 1HH2 ARG 61 -0.301 8.018 -7.021 490 HH22 ARG 61 2HH2 ARG 61 0.789 9.159 -7.750 491 H LEU 62 H LEU 62 4.189 3.588 -1.208 492 HA LEU 62 HA LEU 62 5.302 3.865 1.462 493 HB2 LEU 62 2HB LEU 62 5.865 1.928 -0.780 494 HB3 LEU 62 1HB LEU 62 6.678 1.888 0.767 495 HG LEU 62 HG LEU 62 3.724 1.463 0.344 496 HD11 LEU 62 1HD1 LEU 62 5.164 -0.320 -0.558 497 HD12 LEU 62 2HD1 LEU 62 4.219 -0.861 0.833 498 HD13 LEU 62 3HD1 LEU 62 5.931 -0.475 1.021 499 HD21 LEU 62 3HD2 LEU 62 5.429 1.149 2.815 500 HD22 LEU 62 1HD2 LEU 62 3.704 0.816 2.682 501 HD23 LEU 62 2HD2 LEU 62 4.296 2.470 2.526 502 H ASP 63 H ASP 63 6.100 4.510 -1.828 503 HA ASP 63 HA ASP 63 8.765 4.152 -2.013 504 HB2 ASP 63 2HB ASP 63 7.223 6.458 -3.224 505 HB3 ASP 63 1HB ASP 63 8.763 5.836 -3.804 506 H GLU 64 H GLU 64 7.313 7.300 -1.173 507 HA GLU 64 HA GLU 64 9.763 8.617 -0.781 508 HB2 GLU 64 2HB GLU 64 7.042 9.289 0.349 509 HB3 GLU 64 1HB GLU 64 8.421 10.378 0.301 510 HG2 GLU 64 2HG GLU 64 7.123 9.176 -2.132 511 HG3 GLU 64 1HG GLU 64 6.744 10.769 -1.480 512 H ALA 65 H ALA 65 7.725 6.809 1.417 513 HA ALA 65 HA ALA 65 8.942 7.709 3.825 514 HB1 ALA 65 1HB ALA 65 7.724 5.920 4.907 515 HB2 ALA 65 2HB ALA 65 7.399 5.160 3.350 516 HB3 ALA 65 3HB ALA 65 6.678 6.723 3.737 517 H LEU 66 H LEU 66 9.619 5.132 1.566 518 HA LEU 66 HA LEU 66 11.557 3.899 3.347 519 HB2 LEU 66 2HB LEU 66 10.409 3.205 0.672 520 HB3 LEU 66 1HB LEU 66 11.890 2.444 1.208 521 HG LEU 66 HG LEU 66 10.665 1.628 3.235 522 HD11 LEU 66 1HD1 LEU 66 8.227 1.627 3.200 523 HD12 LEU 66 2HD1 LEU 66 8.239 2.623 1.745 524 HD13 LEU 66 3HD1 LEU 66 8.861 3.271 3.262 525 HD21 LEU 66 3HD2 LEU 66 9.564 0.779 0.559 526 HD22 LEU 66 1HD2 LEU 66 9.473 -0.153 2.053 527 HD23 LEU 66 2HD2 LEU 66 11.041 0.182 1.314 528 H ARG 67 H ARG 67 11.632 6.560 1.509 529 HA ARG 67 HA ARG 67 14.365 6.079 0.545 530 HB2 ARG 67 2HB ARG 67 12.396 8.245 -0.201 531 HB3 ARG 67 1HB ARG 67 14.044 8.152 -0.798 532 HG2 ARG 67 2HG ARG 67 11.938 6.047 -1.243 533 HG3 ARG 67 1HG ARG 67 12.367 7.309 -2.398 534 HD2 ARG 67 2HD ARG 67 13.508 5.325 -3.048 535 HD3 ARG 67 1HD ARG 67 14.705 6.420 -2.367 536 HE ARG 67 HE ARG 67 13.851 4.771 -0.307 537 HH11 ARG 67 1HH1 ARG 67 15.488 4.431 -3.383 538 HH12 ARG 67 2HH1 ARG 67 16.413 3.053 -2.871 539 HH21 ARG 67 1HH2 ARG 67 15.065 2.967 0.366 540 HH22 ARG 67 2HH2 ARG 67 16.180 2.217 -0.741 541 H LYS 68 H LYS 68 12.628 8.968 1.652 542 HA LYS 68 HA LYS 68 14.662 9.391 3.683 543 HB2 LYS 68 2HB LYS 68 14.443 11.941 2.704 544 HB3 LYS 68 1HB LYS 68 15.786 10.850 2.417 545 HG2 LYS 68 2HG LYS 68 15.173 11.767 0.328 546 HG3 LYS 68 1HG LYS 68 14.616 10.097 0.329 547 HD2 LYS 68 2HD LYS 68 12.347 10.831 0.796 548 HD3 LYS 68 1HD LYS 68 12.891 12.508 0.900 549 HE2 LYS 68 2HE LYS 68 13.616 12.403 -1.441 550 HE3 LYS 68 1HE LYS 68 13.039 10.740 -1.540 551 HZ1 LYS 68 3HZ LYS 68 11.501 12.467 -2.442 552 HZ2 LYS 68 1HZ LYS 68 11.279 13.031 -0.862 553 HZ3 LYS 68 2HZ LYS 68 10.813 11.452 -1.283 554 H GLY 69 H GLY 69 13.230 9.138 5.283 555 HA2 GLY 69 2HA GLY 69 11.289 11.342 5.573 556 HA3 GLY 69 1HA GLY 69 10.840 9.688 5.975 557 H HIS 70 H HIS 70 13.463 9.029 7.022 558 HA HIS 70 HA HIS 70 14.648 9.019 8.944 559 HB2 HIS 70 2HB HIS 70 15.332 11.266 8.577 560 HB3 HIS 70 1HB HIS 70 13.752 11.898 9.025 561 HD1 HIS 70 1HD HIS 70 13.454 12.599 11.401 562 HD2 HIS 70 2HD HIS 70 16.805 10.184 10.882 563 HE1 HIS 70 1HE HIS 70 14.641 12.591 13.620 564 HE2 HIS 70 2HE HIS 70 16.537 10.962 13.341 565 H SER 71 H SER 71 13.353 7.447 9.871 566 HA SER 71 HA SER 71 11.438 8.361 11.868 567 HB2 SER 71 2HB SER 71 11.435 5.742 12.270 568 HB3 SER 71 1HB SER 71 10.582 6.442 10.894 569 HG SER 71 HG SER 71 12.869 4.862 10.957 570 H GLU 72 H GLU 72 13.916 5.854 12.039 571 HA GLU 72 HA GLU 72 15.115 7.243 14.340 572 HB2 GLU 72 2HB GLU 72 15.879 4.673 14.745 573 HB3 GLU 72 1HB GLU 72 14.466 5.403 15.488 574 HG2 GLU 72 2HG GLU 72 13.931 3.222 14.593 575 HG3 GLU 72 1HG GLU 72 13.052 4.477 13.726 576 H GLY 73 H GLY 73 15.550 5.364 11.454 577 HA2 GLY 73 2HA GLY 73 18.085 6.668 10.960 578 HA3 GLY 73 1HA GLY 73 18.179 4.919 11.155 579 H GLY 74 H GLY 74 15.599 4.369 10.033 580 HA2 GLY 74 2HA GLY 74 14.567 5.191 7.840 581 HA3 GLY 74 1HA GLY 74 16.183 4.920 7.200 Start of MODEL 11 1 H1 VAL 1 1HT VAL 1 8.245 -1.830 4.392 2 H2 VAL 1 2HT VAL 1 8.600 -3.336 5.067 3 H3 VAL 1 3HT VAL 1 9.252 -1.925 5.750 4 HA VAL 1 HA VAL 1 7.091 -1.166 6.408 5 HB VAL 1 HB VAL 1 6.057 -3.798 5.334 6 HG11 VAL 1 2HG1 VAL 1 3.855 -2.908 5.894 7 HG12 VAL 1 3HG1 VAL 1 4.601 -1.446 6.541 8 HG13 VAL 1 1HG1 VAL 1 4.883 -3.003 7.323 9 HG21 VAL 1 1HG2 VAL 1 6.598 -2.301 3.499 10 HG22 VAL 1 2HG2 VAL 1 5.679 -1.004 4.262 11 HG23 VAL 1 3HG2 VAL 1 4.848 -2.446 3.677 12 H ASP 2 H ASP 2 7.257 -1.300 8.534 13 HA ASP 2 HA ASP 2 8.257 -3.766 9.738 14 HB2 ASP 2 2HB ASP 2 7.802 -1.059 11.013 15 HB3 ASP 2 1HB ASP 2 8.656 -2.419 11.734 16 H MET 3 H MET 3 5.409 -2.792 8.867 17 HA MET 3 HA MET 3 3.245 -3.096 9.435 18 HB2 MET 3 2HB MET 3 4.463 -5.348 11.030 19 HB3 MET 3 1HB MET 3 2.765 -5.215 10.582 20 HG2 MET 3 2HG MET 3 5.020 -5.309 8.600 21 HG3 MET 3 1HG MET 3 4.120 -6.716 9.133 22 HE1 MET 3 3HE MET 3 0.529 -6.002 7.805 23 HE2 MET 3 1HE MET 3 1.162 -5.619 9.408 24 HE3 MET 3 2HE MET 3 1.584 -7.146 8.633 25 H SER 4 H SER 4 4.874 -1.344 11.220 26 HA SER 4 HA SER 4 3.821 -1.708 13.862 27 HB2 SER 4 2HB SER 4 4.938 0.526 14.256 28 HB3 SER 4 1HB SER 4 6.005 -0.743 13.654 29 HG SER 4 HG SER 4 5.692 1.611 12.621 30 H ASN 5 H ASN 5 3.102 0.337 11.091 31 HA ASN 5 HA ASN 5 0.961 1.663 12.613 32 HB2 ASN 5 2HB ASN 5 2.093 2.442 9.915 33 HB3 ASN 5 1HB ASN 5 0.980 3.382 10.905 34 HD21 ASN 5 1HD2 ASN 5 2.245 3.009 13.397 35 HD22 ASN 5 2HD2 ASN 5 3.763 3.843 13.358 36 H VAL 6 H VAL 6 1.027 -1.072 11.198 37 HA VAL 6 HA VAL 6 -0.978 -0.619 9.110 38 HB VAL 6 HB VAL 6 0.472 -3.189 9.759 39 HG11 VAL 6 1HG1 VAL 6 -1.119 -2.373 7.330 40 HG12 VAL 6 2HG1 VAL 6 -1.666 -3.474 8.593 41 HG13 VAL 6 3HG1 VAL 6 -0.300 -3.917 7.570 42 HG21 VAL 6 3HG2 VAL 6 2.065 -1.497 9.060 43 HG22 VAL 6 1HG2 VAL 6 1.078 -1.121 7.650 44 HG23 VAL 6 2HG2 VAL 6 1.852 -2.700 7.789 45 H VAL 7 H VAL 7 -3.036 -0.898 9.563 46 HA VAL 7 HA VAL 7 -3.784 -2.878 11.619 47 HB VAL 7 HB VAL 7 -5.943 -1.587 11.805 48 HG11 VAL 7 1HG1 VAL 7 -5.011 0.118 13.279 49 HG12 VAL 7 2HG1 VAL 7 -3.416 -0.145 12.577 50 HG13 VAL 7 3HG1 VAL 7 -4.198 -1.432 13.494 51 HG21 VAL 7 3HG2 VAL 7 -5.951 0.743 11.071 52 HG22 VAL 7 1HG2 VAL 7 -5.774 -0.351 9.697 53 HG23 VAL 7 2HG2 VAL 7 -4.370 0.520 10.321 54 H LYS 8 H LYS 8 -4.097 -1.847 8.363 55 HA LYS 8 HA LYS 8 -6.090 -3.947 7.874 56 HB2 LYS 8 2HB LYS 8 -6.920 -1.455 7.883 57 HB3 LYS 8 1HB LYS 8 -6.138 -1.385 6.311 58 HG2 LYS 8 2HG LYS 8 -8.381 -1.848 5.872 59 HG3 LYS 8 1HG LYS 8 -7.536 -3.382 5.665 60 HD2 LYS 8 2HD LYS 8 -8.243 -4.084 7.892 61 HD3 LYS 8 1HD LYS 8 -9.053 -2.536 8.132 62 HE2 LYS 8 2HE LYS 8 -10.512 -3.027 6.213 63 HE3 LYS 8 1HE LYS 8 -9.732 -4.596 6.040 64 HZ1 LYS 8 3HZ LYS 8 -11.328 -3.660 8.361 65 HZ2 LYS 8 1HZ LYS 8 -10.489 -5.135 8.306 66 HZ3 LYS 8 2HZ LYS 8 -11.773 -4.846 7.236 67 H THR 9 H THR 9 -5.714 -5.155 6.110 68 HA THR 9 HA THR 9 -3.873 -4.224 4.056 69 HB THR 9 HB THR 9 -3.362 -6.762 5.626 70 HG1 THR 9 1HG THR 9 -2.550 -4.379 6.112 71 HG21 THR 9 3HG2 THR 9 -1.958 -5.715 3.162 72 HG22 THR 9 1HG2 THR 9 -3.006 -7.133 3.227 73 HG23 THR 9 2HG2 THR 9 -1.478 -7.126 4.104 74 H TYR 10 H TYR 10 -5.017 -4.491 2.282 75 HA TYR 10 HA TYR 10 -7.067 -6.547 2.185 76 HB2 TYR 10 2HB TYR 10 -6.400 -4.621 -0.038 77 HB3 TYR 10 1HB TYR 10 -7.914 -5.466 0.248 78 HD1 TYR 10 2HD TYR 10 -8.694 -4.915 2.883 79 HD2 TYR 10 1HD TYR 10 -6.648 -2.334 0.201 80 HE1 TYR 10 2HE TYR 10 -9.593 -2.982 4.093 81 HE2 TYR 10 1HE TYR 10 -7.546 -0.375 1.403 82 HH TYR 10 HH TYR 10 -8.878 -0.540 4.441 83 H ASP 11 H ASP 11 -6.715 -8.475 1.308 84 HA ASP 11 HA ASP 11 -4.389 -9.113 -0.210 85 HB2 ASP 11 2HB ASP 11 -6.566 -10.559 0.934 86 HB3 ASP 11 1HB ASP 11 -6.529 -10.908 -0.783 87 H LEU 12 H LEU 12 -4.067 -8.417 -2.230 88 HA LEU 12 HA LEU 12 -6.297 -7.535 -3.831 89 HB2 LEU 12 2HB LEU 12 -3.333 -7.404 -4.009 90 HB3 LEU 12 1HB LEU 12 -4.217 -7.369 -5.531 91 HG LEU 12 HG LEU 12 -3.880 -5.118 -4.981 92 HD11 LEU 12 1HD1 LEU 12 -6.161 -5.534 -5.664 93 HD12 LEU 12 2HD1 LEU 12 -6.115 -4.237 -4.469 94 HD13 LEU 12 3HD1 LEU 12 -6.629 -5.857 -3.993 95 HD21 LEU 12 3HD2 LEU 12 -4.373 -4.144 -2.787 96 HD22 LEU 12 1HD2 LEU 12 -3.124 -5.387 -2.695 97 HD23 LEU 12 2HD2 LEU 12 -4.768 -5.751 -2.173 98 H GLN 13 H GLN 13 -7.129 -8.503 -5.609 99 HA GLN 13 HA GLN 13 -7.104 -11.277 -5.862 100 HB2 GLN 13 2HB GLN 13 -7.804 -9.168 -7.910 101 HB3 GLN 13 1HB GLN 13 -8.162 -10.876 -8.091 102 HG2 GLN 13 2HG GLN 13 -9.190 -9.152 -5.850 103 HG3 GLN 13 1HG GLN 13 -10.077 -9.495 -7.331 104 HE21 GLN 13 1HE2 GLN 13 -11.746 -10.473 -6.250 105 HE22 GLN 13 2HE2 GLN 13 -11.598 -12.034 -5.513 106 H ASP 14 H ASP 14 -4.954 -8.928 -7.093 107 HA ASP 14 HA ASP 14 -3.788 -10.355 -9.233 108 HB2 ASP 14 2HB ASP 14 -3.482 -8.004 -9.141 109 HB3 ASP 14 1HB ASP 14 -2.866 -8.076 -7.498 110 H GLY 15 H GLY 15 -3.439 -10.522 -5.808 111 HA2 GLY 15 2HA GLY 15 -2.319 -12.468 -4.859 112 HA3 GLY 15 1HA GLY 15 -1.132 -12.330 -6.153 113 H SER 16 H SER 16 -1.413 -9.314 -5.697 114 HA SER 16 HA SER 16 0.692 -9.065 -3.748 115 HB2 SER 16 2HB SER 16 -0.823 -6.924 -5.265 116 HB3 SER 16 1HB SER 16 0.663 -6.689 -4.347 117 HG SER 16 HG SER 16 0.262 -8.039 -6.793 118 H LYS 17 H LYS 17 0.266 -6.893 -2.314 119 HA LYS 17 HA LYS 17 -2.344 -7.088 -1.005 120 HB2 LYS 17 2HB LYS 17 0.272 -7.900 0.181 121 HB3 LYS 17 1HB LYS 17 -0.904 -7.103 1.208 122 HG2 LYS 17 2HG LYS 17 -2.534 -8.859 0.684 123 HG3 LYS 17 1HG LYS 17 -1.323 -9.666 -0.316 124 HD2 LYS 17 2HD LYS 17 0.076 -10.079 1.569 125 HD3 LYS 17 1HD LYS 17 -0.903 -9.033 2.599 126 HE2 LYS 17 2HE LYS 17 -1.365 -11.367 3.072 127 HE3 LYS 17 1HE LYS 17 -2.782 -10.582 2.381 128 HZ1 LYS 17 3HZ LYS 17 -2.665 -12.584 1.265 129 HZ2 LYS 17 1HZ LYS 17 -0.974 -12.559 1.133 130 HZ3 LYS 17 2HZ LYS 17 -1.921 -11.528 0.179 131 H VAL 18 H VAL 18 -2.957 -5.110 -0.206 132 HA VAL 18 HA VAL 18 -0.878 -3.032 -0.164 133 HB VAL 18 HB VAL 18 -2.757 -2.500 -1.623 134 HG11 VAL 18 1HG1 VAL 18 -4.997 -2.091 -0.737 135 HG12 VAL 18 2HG1 VAL 18 -4.479 -2.705 0.834 136 HG13 VAL 18 3HG1 VAL 18 -4.514 -3.780 -0.564 137 HG21 VAL 18 3HG2 VAL 18 -3.402 -0.317 -0.620 138 HG22 VAL 18 1HG2 VAL 18 -1.666 -0.643 -0.613 139 HG23 VAL 18 2HG2 VAL 18 -2.607 -0.827 0.869 140 H HIS 19 H HIS 19 -0.160 -2.361 1.753 141 HA HIS 19 HA HIS 19 -1.638 -3.245 4.140 142 HB2 HIS 19 2HB HIS 19 1.060 -1.968 4.350 143 HB3 HIS 19 1HB HIS 19 0.342 -3.220 5.347 144 HD1 HIS 19 1HD HIS 19 0.201 -5.676 4.009 145 HD2 HIS 19 2HD HIS 19 2.957 -2.844 2.710 146 HE1 HIS 19 1HE HIS 19 1.904 -6.973 2.660 147 HE2 HIS 19 2HE HIS 19 3.701 -5.259 2.131 148 H VAL 20 H VAL 20 -3.099 -1.749 4.634 149 HA VAL 20 HA VAL 20 -2.664 1.040 3.997 150 HB VAL 20 HB VAL 20 -5.014 0.038 5.573 151 HG11 VAL 20 1HG1 VAL 20 -6.176 1.724 4.262 152 HG12 VAL 20 2HG1 VAL 20 -4.700 2.036 3.344 153 HG13 VAL 20 3HG1 VAL 20 -4.770 2.424 5.067 154 HG21 VAL 20 3HG2 VAL 20 -6.131 -0.666 3.535 155 HG22 VAL 20 1HG2 VAL 20 -4.666 -1.616 3.779 156 HG23 VAL 20 2HG2 VAL 20 -4.682 -0.308 2.595 157 H PHE 21 H PHE 21 -2.034 2.568 5.406 158 HA PHE 21 HA PHE 21 -1.280 1.626 8.072 159 HB2 PHE 21 2HB PHE 21 -0.384 4.121 6.616 160 HB3 PHE 21 1HB PHE 21 0.292 3.474 8.109 161 HD1 PHE 21 2HD PHE 21 1.281 1.099 7.983 162 HD2 PHE 21 1HD PHE 21 0.560 3.547 4.585 163 HE1 PHE 21 2HE PHE 21 2.880 -0.233 6.685 164 HE2 PHE 21 1HE PHE 21 2.157 2.221 3.281 165 HZ PHE 21 HZ PHE 21 3.332 0.351 4.321 166 H LYS 22 H LYS 22 -1.505 2.982 9.885 167 HA LYS 22 HA LYS 22 -4.071 4.169 10.169 168 HB2 LYS 22 2HB LYS 22 -1.645 4.208 11.974 169 HB3 LYS 22 1HB LYS 22 -3.256 4.727 12.448 170 HG2 LYS 22 2HG LYS 22 -4.111 2.547 12.344 171 HG3 LYS 22 1HG LYS 22 -2.719 1.955 11.437 172 HD2 LYS 22 2HD LYS 22 -2.658 1.232 13.786 173 HD3 LYS 22 1HD LYS 22 -1.292 2.272 13.384 174 HE2 LYS 22 2HE LYS 22 -2.137 2.932 15.519 175 HE3 LYS 22 1HE LYS 22 -2.538 4.188 14.349 176 HZ1 LYS 22 3HZ LYS 22 -4.393 2.088 15.351 177 HZ2 LYS 22 1HZ LYS 22 -4.787 3.288 14.215 178 HZ3 LYS 22 2HZ LYS 22 -4.397 3.722 15.808 179 H ASP 23 H ASP 23 -1.540 5.368 8.579 180 HA ASP 23 HA ASP 23 -1.689 8.099 9.595 181 HB2 ASP 23 2HB ASP 23 0.513 6.998 9.022 182 HB3 ASP 23 1HB ASP 23 0.008 7.026 7.334 183 H GLY 24 H GLY 24 -3.302 6.174 7.426 184 HA2 GLY 24 2HA GLY 24 -5.201 7.013 6.258 185 HA3 GLY 24 1HA GLY 24 -4.379 8.555 6.080 186 H LYS 25 H LYS 25 -2.090 6.346 5.382 187 HA LYS 25 HA LYS 25 -2.707 6.463 2.524 188 HB2 LYS 25 2HB LYS 25 -0.039 6.160 3.911 189 HB3 LYS 25 1HB LYS 25 -0.278 6.111 2.165 190 HG2 LYS 25 2HG LYS 25 0.473 8.277 2.645 191 HG3 LYS 25 1HG LYS 25 -1.259 8.432 2.378 192 HD2 LYS 25 2HD LYS 25 -1.598 8.406 4.827 193 HD3 LYS 25 1HD LYS 25 0.153 8.354 5.039 194 HE2 LYS 25 2HE LYS 25 0.359 10.490 3.861 195 HE3 LYS 25 1HE LYS 25 -1.392 10.546 3.660 196 HZ1 LYS 25 3HZ LYS 25 -0.579 11.891 5.538 197 HZ2 LYS 25 1HZ LYS 25 0.003 10.483 6.282 198 HZ3 LYS 25 2HZ LYS 25 -1.660 10.683 6.031 199 H MET 26 H MET 26 -1.693 4.602 1.274 200 HA MET 26 HA MET 26 -2.102 2.101 2.765 201 HB2 MET 26 2HB MET 26 -2.973 2.518 -0.090 202 HB3 MET 26 1HB MET 26 -3.371 1.180 0.979 203 HG2 MET 26 2HG MET 26 -4.665 2.720 2.388 204 HG3 MET 26 1HG MET 26 -4.307 4.024 1.261 205 HE1 MET 26 3HE MET 26 -4.961 3.741 -1.420 206 HE2 MET 26 1HE MET 26 -5.930 2.386 -2.001 207 HE3 MET 26 2HE MET 26 -4.312 2.102 -1.352 208 H GLY 27 H GLY 27 -0.358 0.888 2.702 209 HA2 GLY 27 2HA GLY 27 1.817 1.557 0.946 210 HA3 GLY 27 1HA GLY 27 1.810 0.312 2.187 211 H MET 28 H MET 28 1.412 1.028 -1.131 212 HA MET 28 HA MET 28 0.380 -1.534 -1.871 213 HB2 MET 28 2HB MET 28 -0.004 0.388 -3.314 214 HB3 MET 28 1HB MET 28 1.729 0.613 -3.520 215 HG2 MET 28 2HG MET 28 1.277 -0.499 -5.430 216 HG3 MET 28 1HG MET 28 1.599 -1.861 -4.367 217 HE1 MET 28 3HE MET 28 -1.297 -1.636 -2.632 218 HE2 MET 28 1HE MET 28 -0.514 -3.164 -3.050 219 HE3 MET 28 2HE MET 28 -2.199 -2.887 -3.493 220 H GLU 29 H GLU 29 1.486 -3.330 -1.766 221 HA GLU 29 HA GLU 29 4.279 -3.461 -2.587 222 HB2 GLU 29 2HB GLU 29 4.059 -2.918 -0.052 223 HB3 GLU 29 1HB GLU 29 3.407 -4.527 0.106 224 HG2 GLU 29 2HG GLU 29 5.482 -5.483 -0.601 225 HG3 GLU 29 1HG GLU 29 6.139 -3.880 -0.954 226 H ASN 30 H ASN 30 4.902 -5.930 -2.457 227 HA ASN 30 HA ASN 30 2.509 -7.454 -3.112 228 HB2 ASN 30 2HB ASN 30 3.974 -9.236 -3.866 229 HB3 ASN 30 1HB ASN 30 4.415 -7.722 -4.631 230 HD21 ASN 30 1HD2 ASN 30 6.424 -8.564 -5.136 231 HD22 ASN 30 2HD2 ASN 30 7.670 -8.731 -3.945 232 H LYS 31 H LYS 31 2.647 -9.835 -2.115 233 HA LYS 31 HA LYS 31 2.117 -9.258 0.618 234 HB2 LYS 31 2HB LYS 31 1.576 -11.712 0.742 235 HB3 LYS 31 1HB LYS 31 0.673 -10.787 -0.448 236 HG2 LYS 31 2HG LYS 31 1.204 -12.638 -1.665 237 HG3 LYS 31 1HG LYS 31 2.567 -11.598 -2.060 238 HD2 LYS 31 2HD LYS 31 3.923 -12.706 -0.391 239 HD3 LYS 31 1HD LYS 31 2.554 -13.718 0.079 240 HE2 LYS 31 2HE LYS 31 4.053 -13.717 -2.531 241 HE3 LYS 31 1HE LYS 31 3.901 -15.034 -1.367 242 HZ1 LYS 31 3HZ LYS 31 1.449 -14.977 -1.877 243 HZ2 LYS 31 1HZ LYS 31 2.451 -15.529 -3.133 244 HZ3 LYS 31 2HZ LYS 31 1.823 -13.957 -3.180 245 H PHE 32 H PHE 32 4.927 -10.238 -0.982 246 HA PHE 32 HA PHE 32 6.112 -11.468 1.359 247 HB2 PHE 32 2HB PHE 32 7.062 -10.936 -1.429 248 HB3 PHE 32 1HB PHE 32 8.224 -11.334 -0.167 249 HD1 PHE 32 2HD PHE 32 6.280 -13.170 1.351 250 HD2 PHE 32 1HD PHE 32 7.437 -12.904 -2.734 251 HE1 PHE 32 2HE PHE 32 5.765 -15.555 1.060 252 HE2 PHE 32 1HE PHE 32 6.919 -15.294 -3.037 253 HZ PHE 32 HZ PHE 32 6.080 -16.616 -1.136 254 H GLY 33 H GLY 33 5.782 -8.282 0.133 255 HA2 GLY 33 2HA GLY 33 6.561 -6.311 1.077 256 HA3 GLY 33 1HA GLY 33 7.538 -7.265 2.195 257 H LYS 34 H LYS 34 7.477 -7.464 -1.307 258 HA LYS 34 HA LYS 34 10.310 -6.673 -1.341 259 HB2 LYS 34 2HB LYS 34 9.458 -9.005 -2.173 260 HB3 LYS 34 1HB LYS 34 8.928 -8.112 -3.589 261 HG2 LYS 34 2HG LYS 34 10.996 -8.877 -4.237 262 HG3 LYS 34 1HG LYS 34 11.374 -7.257 -3.655 263 HD2 LYS 34 2HD LYS 34 11.637 -9.766 -2.001 264 HD3 LYS 34 1HD LYS 34 12.967 -9.020 -2.886 265 HE2 LYS 34 2HE LYS 34 12.608 -6.951 -1.560 266 HE3 LYS 34 1HE LYS 34 11.374 -7.807 -0.633 267 HZ1 LYS 34 3HZ LYS 34 13.580 -7.747 0.444 268 HZ2 LYS 34 1HZ LYS 34 14.206 -8.677 -0.829 269 HZ3 LYS 34 2HZ LYS 34 13.008 -9.322 0.180 270 H SER 35 H SER 35 10.896 -5.646 -3.557 271 HA SER 35 HA SER 35 9.599 -3.188 -3.717 272 HB2 SER 35 2HB SER 35 11.339 -4.480 -5.827 273 HB3 SER 35 1HB SER 35 11.017 -2.755 -5.650 274 HG SER 35 HG SER 35 11.943 -3.055 -3.445 275 H MET 36 H MET 36 7.446 -3.224 -4.146 276 HA MET 36 HA MET 36 6.711 -4.001 -6.879 277 HB2 MET 36 2HB MET 36 5.881 -5.513 -4.879 278 HB3 MET 36 1HB MET 36 4.721 -4.213 -4.641 279 HG2 MET 36 2HG MET 36 5.078 -5.512 -7.299 280 HG3 MET 36 1HG MET 36 4.045 -6.224 -6.071 281 HE1 MET 36 3HE MET 36 1.131 -3.784 -5.724 282 HE2 MET 36 1HE MET 36 2.552 -3.889 -4.681 283 HE3 MET 36 2HE MET 36 1.823 -5.360 -5.325 284 H ASN 37 H ASN 37 5.614 -2.484 -7.973 285 HA ASN 37 HA ASN 37 4.746 -0.097 -6.499 286 HB2 ASN 37 2HB ASN 37 5.801 1.231 -8.452 287 HB3 ASN 37 1HB ASN 37 6.864 0.614 -7.192 288 HD21 ASN 37 1HD2 ASN 37 8.180 -1.164 -7.633 289 HD22 ASN 37 2HD2 ASN 37 8.557 -1.649 -9.248 290 H MET 38 H MET 38 2.983 0.861 -7.226 291 HA MET 38 HA MET 38 1.822 -0.072 -9.759 292 HB2 MET 38 2HB MET 38 0.418 -1.073 -8.168 293 HB3 MET 38 1HB MET 38 0.528 0.296 -7.068 294 HG2 MET 38 2HG MET 38 -0.869 1.627 -8.499 295 HG3 MET 38 1HG MET 38 -0.876 0.365 -9.728 296 HE1 MET 38 3HE MET 38 -1.252 -2.276 -8.120 297 HE2 MET 38 1HE MET 38 -2.197 -1.878 -9.558 298 HE3 MET 38 2HE MET 38 -3.008 -2.432 -8.092 299 HA PRO 39 HA PRO 39 1.720 4.342 -10.595 300 HB2 PRO 39 2HB PRO 39 0.326 4.117 -12.938 301 HB3 PRO 39 1HB PRO 39 2.075 3.895 -12.820 302 HG2 PRO 39 2HG PRO 39 -0.097 1.847 -12.936 303 HG3 PRO 39 1HG PRO 39 1.497 1.839 -13.713 304 HD2 PRO 39 2HD PRO 39 0.956 0.420 -11.467 305 HD3 PRO 39 1HD PRO 39 2.557 1.100 -11.808 306 H GLU 40 H GLU 40 0.264 5.738 -9.868 307 HA GLU 40 HA GLU 40 -2.150 5.002 -8.703 308 HB2 GLU 40 2HB GLU 40 -2.647 7.449 -8.679 309 HB3 GLU 40 1HB GLU 40 -1.037 7.062 -8.089 310 HG2 GLU 40 2HG GLU 40 -0.069 7.732 -10.205 311 HG3 GLU 40 1HG GLU 40 -1.674 8.048 -10.860 312 H GLY 41 H GLY 41 -4.186 4.757 -9.426 313 HA2 GLY 41 2HA GLY 41 -5.921 5.569 -10.992 314 HA3 GLY 41 1HA GLY 41 -4.708 5.435 -12.253 315 H LYS 42 H LYS 42 -4.062 2.832 -10.446 316 HA LYS 42 HA LYS 42 -5.583 1.101 -12.187 317 HB2 LYS 42 2HB LYS 42 -3.547 0.518 -10.041 318 HB3 LYS 42 1HB LYS 42 -4.398 -0.744 -10.919 319 HG2 LYS 42 2HG LYS 42 -3.483 0.317 -13.034 320 HG3 LYS 42 1HG LYS 42 -2.428 1.258 -11.975 321 HD2 LYS 42 2HD LYS 42 -1.494 -0.789 -11.051 322 HD3 LYS 42 1HD LYS 42 -2.588 -1.754 -12.045 323 HE2 LYS 42 2HE LYS 42 -1.545 -0.830 -14.064 324 HE3 LYS 42 1HE LYS 42 -0.440 0.103 -13.058 325 HZ1 LYS 42 3HZ LYS 42 0.683 -1.840 -13.762 326 HZ2 LYS 42 1HZ LYS 42 -0.596 -2.849 -13.291 327 HZ3 LYS 42 2HZ LYS 42 0.335 -2.056 -12.116 328 H VAL 43 H VAL 43 -7.121 -0.376 -11.601 329 HA VAL 43 HA VAL 43 -8.690 0.277 -9.249 330 HB VAL 43 HB VAL 43 -9.174 -1.835 -11.359 331 HG11 VAL 43 1HG1 VAL 43 -11.006 -0.634 -9.288 332 HG12 VAL 43 2HG1 VAL 43 -10.378 -2.282 -9.302 333 HG13 VAL 43 3HG1 VAL 43 -11.496 -1.754 -10.559 334 HG21 VAL 43 3HG2 VAL 43 -10.762 -0.226 -12.324 335 HG22 VAL 43 1HG2 VAL 43 -9.105 0.375 -12.363 336 HG23 VAL 43 2HG2 VAL 43 -10.234 0.981 -11.152 337 H MET 44 H MET 44 -8.004 -0.551 -7.359 338 HA MET 44 HA MET 44 -6.793 -3.205 -7.307 339 HB2 MET 44 2HB MET 44 -7.153 -1.144 -5.132 340 HB3 MET 44 1HB MET 44 -6.336 -2.689 -4.926 341 HG2 MET 44 2HG MET 44 -4.731 -2.017 -6.680 342 HG3 MET 44 1HG MET 44 -5.511 -0.437 -6.736 343 HE1 MET 44 3HE MET 44 -4.614 1.132 -3.322 344 HE2 MET 44 1HE MET 44 -6.118 0.342 -3.793 345 HE3 MET 44 2HE MET 44 -5.284 1.401 -4.931 346 H GLU 45 H GLU 45 -8.238 -4.765 -7.381 347 HA GLU 45 HA GLU 45 -10.744 -4.545 -5.914 348 HB2 GLU 45 2HB GLU 45 -10.692 -5.343 -8.282 349 HB3 GLU 45 1HB GLU 45 -9.756 -6.727 -7.745 350 HG2 GLU 45 2HG GLU 45 -11.597 -7.475 -6.369 351 HG3 GLU 45 1HG GLU 45 -12.547 -6.072 -6.859 352 H THR 46 H THR 46 -10.824 -5.264 -3.903 353 HA THR 46 HA THR 46 -8.782 -6.946 -2.790 354 HB THR 46 HB THR 46 -9.933 -6.724 -0.695 355 HG1 THR 46 1HG THR 46 -12.092 -5.542 -0.865 356 HG21 THR 46 3HG2 THR 46 -10.242 -4.301 -0.510 357 HG22 THR 46 1HG2 THR 46 -10.281 -4.168 -2.267 358 HG23 THR 46 2HG2 THR 46 -8.805 -4.691 -1.455 359 H ARG 47 H ARG 47 -9.691 -8.856 -1.324 360 HA ARG 47 HA ARG 47 -10.643 -10.860 -3.063 361 HB2 ARG 47 2HB ARG 47 -10.556 -10.850 -0.042 362 HB3 ARG 47 1HB ARG 47 -10.798 -12.274 -1.046 363 HG2 ARG 47 2HG ARG 47 -8.342 -10.536 -1.013 364 HG3 ARG 47 1HG ARG 47 -8.506 -12.116 -0.248 365 HD2 ARG 47 2HD ARG 47 -8.831 -13.159 -2.400 366 HD3 ARG 47 1HD ARG 47 -8.803 -11.589 -3.197 367 HE ARG 47 HE ARG 47 -6.413 -11.660 -1.970 368 HH11 ARG 47 1HH1 ARG 47 -8.054 -13.964 -4.027 369 HH12 ARG 47 2HH1 ARG 47 -6.579 -14.612 -4.688 370 HH21 ARG 47 1HH2 ARG 47 -4.480 -12.505 -2.826 371 HH22 ARG 47 2HH2 ARG 47 -4.550 -13.777 -4.005 372 H ASP 48 H ASP 48 -12.329 -8.439 -1.409 373 HA ASP 48 HA ASP 48 -14.819 -9.947 -1.220 374 HB2 ASP 48 2HB ASP 48 -14.297 -8.408 0.597 375 HB3 ASP 48 1HB ASP 48 -14.130 -7.076 -0.540 376 H GLY 49 H GLY 49 -13.121 -8.382 -3.572 377 HA2 GLY 49 2HA GLY 49 -13.748 -7.655 -5.684 378 HA3 GLY 49 1HA GLY 49 -15.434 -7.908 -5.235 379 H THR 50 H THR 50 -13.164 -6.069 -3.346 380 HA THR 50 HA THR 50 -14.880 -3.719 -3.610 381 HB THR 50 HB THR 50 -12.496 -4.042 -1.783 382 HG1 THR 50 1HG THR 50 -14.745 -5.430 -1.664 383 HG21 THR 50 3HG2 THR 50 -14.921 -2.242 -1.677 384 HG22 THR 50 1HG2 THR 50 -13.274 -1.752 -2.076 385 HG23 THR 50 2HG2 THR 50 -13.655 -2.322 -0.451 386 H LYS 51 H LYS 51 -14.388 -2.324 -5.126 387 HA LYS 51 HA LYS 51 -11.736 -2.311 -6.261 388 HB2 LYS 51 2HB LYS 51 -14.278 -0.872 -6.990 389 HB3 LYS 51 1HB LYS 51 -12.775 -0.748 -7.878 390 HG2 LYS 51 2HG LYS 51 -12.866 -3.256 -8.144 391 HG3 LYS 51 1HG LYS 51 -14.521 -3.151 -7.536 392 HD2 LYS 51 2HD LYS 51 -15.057 -1.579 -9.358 393 HD3 LYS 51 1HD LYS 51 -13.414 -1.777 -9.980 394 HE2 LYS 51 2HE LYS 51 -13.821 -4.157 -10.313 395 HE3 LYS 51 1HE LYS 51 -15.451 -3.982 -9.663 396 HZ1 LYS 51 3HZ LYS 51 -14.416 -2.666 -12.118 397 HZ2 LYS 51 1HZ LYS 51 -15.986 -2.509 -11.494 398 HZ3 LYS 51 2HZ LYS 51 -15.448 -4.010 -12.074 399 H ILE 52 H ILE 52 -10.280 -1.219 -5.191 400 HA ILE 52 HA ILE 52 -10.928 1.532 -4.362 401 HB ILE 52 HB ILE 52 -8.808 -0.333 -3.271 402 HG12 ILE 52 2HG1 ILE 52 -11.301 0.777 -1.962 403 HG13 ILE 52 1HG1 ILE 52 -11.143 -0.858 -2.593 404 HG21 ILE 52 1HG2 ILE 52 -9.507 2.475 -2.423 405 HG22 ILE 52 2HG2 ILE 52 -8.044 1.986 -3.277 406 HG23 ILE 52 3HG2 ILE 52 -8.339 1.413 -1.634 407 HD11 ILE 52 3HD1 ILE 52 -9.397 -1.321 -0.966 408 HD12 ILE 52 1HD1 ILE 52 -10.886 -0.796 -0.181 409 HD13 ILE 52 2HD1 ILE 52 -9.532 0.322 -0.343 410 H ILE 53 H ILE 53 -10.278 2.820 -5.984 411 HA ILE 53 HA ILE 53 -8.074 2.087 -7.680 412 HB ILE 53 HB ILE 53 -9.752 4.602 -7.571 413 HG12 ILE 53 2HG1 ILE 53 -10.451 3.717 -9.873 414 HG13 ILE 53 1HG1 ILE 53 -9.700 2.201 -9.400 415 HG21 ILE 53 1HG2 ILE 53 -7.590 3.868 -9.537 416 HG22 ILE 53 2HG2 ILE 53 -7.538 5.184 -8.366 417 HG23 ILE 53 3HG2 ILE 53 -8.695 5.233 -9.697 418 HD11 ILE 53 3HD1 ILE 53 -11.241 2.050 -7.502 419 HD12 ILE 53 1HD1 ILE 53 -12.085 2.119 -9.051 420 HD13 ILE 53 2HD1 ILE 53 -12.006 3.552 -8.024 421 H MET 54 H MET 54 -6.008 2.569 -7.388 422 HA MET 54 HA MET 54 -5.203 3.921 -4.988 423 HB2 MET 54 2HB MET 54 -4.020 1.933 -6.056 424 HB3 MET 54 1HB MET 54 -3.409 3.048 -7.262 425 HG2 MET 54 2HG MET 54 -1.997 4.070 -5.822 426 HG3 MET 54 1HG MET 54 -3.017 3.760 -4.424 427 HE1 MET 54 3HE MET 54 -1.349 2.975 -2.700 428 HE2 MET 54 1HE MET 54 -1.091 1.231 -2.615 429 HE3 MET 54 2HE MET 54 -2.723 1.872 -2.792 430 H LYS 55 H LYS 55 -5.776 6.066 -5.087 431 HA LYS 55 HA LYS 55 -4.300 7.719 -7.005 432 HB2 LYS 55 2HB LYS 55 -7.279 7.709 -6.595 433 HB3 LYS 55 1HB LYS 55 -6.450 9.159 -7.144 434 HG2 LYS 55 2HG LYS 55 -6.357 6.491 -8.536 435 HG3 LYS 55 1HG LYS 55 -7.418 7.829 -8.975 436 HD2 LYS 55 2HD LYS 55 -4.409 8.031 -8.900 437 HD3 LYS 55 1HD LYS 55 -5.329 7.635 -10.351 438 HE2 LYS 55 2HE LYS 55 -6.508 9.770 -10.189 439 HE3 LYS 55 1HE LYS 55 -5.606 10.161 -8.724 440 HZ1 LYS 55 3HZ LYS 55 -3.581 10.227 -9.965 441 HZ2 LYS 55 1HZ LYS 55 -4.712 11.208 -10.766 442 HZ3 LYS 55 2HZ LYS 55 -4.347 9.664 -11.370 443 H GLY 56 H GLY 56 -6.232 9.923 -5.909 444 HA2 GLY 56 2HA GLY 56 -4.361 11.052 -4.137 445 HA3 GLY 56 1HA GLY 56 -5.992 11.639 -4.416 446 H ASN 57 H ASN 57 -6.771 8.735 -3.484 447 HA ASN 57 HA ASN 57 -7.104 9.443 -0.701 448 HB2 ASN 57 2HB ASN 57 -8.332 7.285 -0.555 449 HB3 ASN 57 1HB ASN 57 -8.939 8.331 -1.835 450 HD21 ASN 57 1HD2 ASN 57 -7.350 5.355 -1.083 451 HD22 ASN 57 2HD2 ASN 57 -7.376 4.707 -2.686 452 H GLU 58 H GLU 58 -4.477 8.659 -2.120 453 HA GLU 58 HA GLU 58 -3.497 6.906 0.016 454 HB2 GLU 58 2HB GLU 58 -3.590 5.471 -1.850 455 HB3 GLU 58 1HB GLU 58 -3.056 6.733 -2.949 456 HG2 GLU 58 2HG GLU 58 -0.964 6.474 -1.167 457 HG3 GLU 58 1HG GLU 58 -1.518 4.819 -1.443 458 H ILE 59 H ILE 59 -2.034 8.653 -2.723 459 HA ILE 59 HA ILE 59 -0.758 10.523 -2.816 460 HB ILE 59 HB ILE 59 -1.409 10.728 0.113 461 HG12 ILE 59 2HG1 ILE 59 -3.274 11.116 -1.410 462 HG13 ILE 59 1HG1 ILE 59 -2.791 12.623 -0.645 463 HG21 ILE 59 1HG2 ILE 59 0.146 12.666 -1.585 464 HG22 ILE 59 2HG2 ILE 59 0.754 11.740 -0.213 465 HG23 ILE 59 3HG2 ILE 59 -0.463 12.990 0.038 466 HD11 ILE 59 3HD1 ILE 59 -1.582 13.259 -2.673 467 HD12 ILE 59 1HD1 ILE 59 -3.291 12.959 -2.990 468 HD13 ILE 59 2HD1 ILE 59 -2.086 11.751 -3.437 469 H PHE 60 H PHE 60 0.164 9.076 0.342 470 HA PHE 60 HA PHE 60 2.958 9.537 -0.354 471 HB2 PHE 60 2HB PHE 60 2.135 10.154 1.894 472 HB3 PHE 60 1HB PHE 60 1.760 8.464 2.210 473 HD1 PHE 60 1HD PHE 60 4.544 10.803 1.495 474 HD2 PHE 60 2HD PHE 60 3.393 7.001 3.025 475 HE1 PHE 60 1HE PHE 60 6.825 10.462 2.352 476 HE2 PHE 60 2HE PHE 60 5.671 6.655 3.883 477 HZ PHE 60 HZ PHE 60 7.391 8.394 3.544 478 H ARG 61 H ARG 61 0.746 6.909 0.151 479 HA ARG 61 HA ARG 61 0.727 4.800 -0.624 480 HB2 ARG 61 2HB ARG 61 1.790 5.817 -2.632 481 HB3 ARG 61 1HB ARG 61 3.362 5.419 -1.948 482 HG2 ARG 61 2HG ARG 61 2.928 3.092 -2.108 483 HG3 ARG 61 1HG ARG 61 1.231 3.377 -2.504 484 HD2 ARG 61 2HD ARG 61 3.639 4.057 -4.198 485 HD3 ARG 61 1HD ARG 61 2.419 2.823 -4.531 486 HE ARG 61 HE ARG 61 0.862 4.931 -4.448 487 HH11 ARG 61 1HH1 ARG 61 4.008 4.631 -6.005 488 HH12 ARG 61 2HH1 ARG 61 3.701 5.919 -7.125 489 HH21 ARG 61 1HH2 ARG 61 0.493 6.616 -5.894 490 HH22 ARG 61 2HH2 ARG 61 1.710 7.054 -7.060 491 H LEU 62 H LEU 62 4.289 4.989 -0.330 492 HA LEU 62 HA LEU 62 4.535 3.303 1.860 493 HB2 LEU 62 2HB LEU 62 3.186 1.846 0.230 494 HB3 LEU 62 1HB LEU 62 4.623 1.808 -0.764 495 HG LEU 62 HG LEU 62 4.045 -0.134 0.933 496 HD11 LEU 62 1HD1 LEU 62 6.395 -0.719 1.031 497 HD12 LEU 62 2HD1 LEU 62 6.836 0.925 0.564 498 HD13 LEU 62 3HD1 LEU 62 5.962 -0.109 -0.565 499 HD21 LEU 62 3HD2 LEU 62 5.606 1.802 2.624 500 HD22 LEU 62 1HD2 LEU 62 5.299 0.111 3.021 501 HD23 LEU 62 2HD2 LEU 62 3.956 1.248 2.911 502 H ASP 63 H ASP 63 6.557 3.387 2.369 503 HA ASP 63 HA ASP 63 8.555 4.840 1.441 504 HB2 ASP 63 2HB ASP 63 8.721 2.150 2.745 505 HB3 ASP 63 1HB ASP 63 10.186 3.015 2.298 506 H GLU 64 H GLU 64 8.076 1.513 0.210 507 HA GLU 64 HA GLU 64 10.405 1.453 -1.373 508 HB2 GLU 64 2HB GLU 64 9.089 -0.543 -0.711 509 HB3 GLU 64 1HB GLU 64 7.832 -0.063 -1.832 510 HG2 GLU 64 2HG GLU 64 9.197 -1.787 -2.806 511 HG3 GLU 64 1HG GLU 64 9.418 -0.277 -3.684 512 H ALA 65 H ALA 65 7.281 2.866 -1.987 513 HA ALA 65 HA ALA 65 7.534 3.019 -4.801 514 HB1 ALA 65 1HB ALA 65 5.385 3.358 -3.666 515 HB2 ALA 65 2HB ALA 65 5.793 4.731 -4.695 516 HB3 ALA 65 3HB ALA 65 6.003 4.846 -2.948 517 H LEU 66 H LEU 66 8.772 4.834 -2.138 518 HA LEU 66 HA LEU 66 10.022 6.808 -3.895 519 HB2 LEU 66 2HB LEU 66 9.962 6.609 -0.881 520 HB3 LEU 66 1HB LEU 66 10.603 7.938 -1.812 521 HG LEU 66 HG LEU 66 7.704 7.116 -1.727 522 HD11 LEU 66 1HD1 LEU 66 8.422 8.084 0.375 523 HD12 LEU 66 2HD1 LEU 66 7.386 9.215 -0.496 524 HD13 LEU 66 3HD1 LEU 66 9.133 9.456 -0.476 525 HD21 LEU 66 3HD2 LEU 66 7.305 9.204 -2.942 526 HD22 LEU 66 1HD2 LEU 66 8.310 8.094 -3.874 527 HD23 LEU 66 2HD2 LEU 66 9.044 9.472 -3.053 528 H ARG 67 H ARG 67 10.586 3.791 -2.954 529 HA ARG 67 HA ARG 67 12.357 2.405 -2.751 530 HB2 ARG 67 2HB ARG 67 13.877 4.754 -3.891 531 HB3 ARG 67 1HB ARG 67 14.481 3.101 -3.792 532 HG2 ARG 67 2HG ARG 67 11.967 3.862 -5.252 533 HG3 ARG 67 1HG ARG 67 13.554 3.774 -6.028 534 HD2 ARG 67 2HD ARG 67 12.417 1.461 -4.484 535 HD3 ARG 67 1HD ARG 67 11.996 1.729 -6.175 536 HE ARG 67 HE ARG 67 14.516 1.671 -6.536 537 HH11 ARG 67 1HH1 ARG 67 12.947 -0.107 -3.939 538 HH12 ARG 67 2HH1 ARG 67 14.092 -1.417 -4.002 539 HH21 ARG 67 1HH2 ARG 67 16.010 -0.029 -6.584 540 HH22 ARG 67 2HH2 ARG 67 15.833 -1.368 -5.493 541 H LYS 68 H LYS 68 11.544 4.057 -0.598 542 HA LYS 68 HA LYS 68 14.008 4.363 0.977 543 HB2 LYS 68 2HB LYS 68 12.524 6.332 0.830 544 HB3 LYS 68 1HB LYS 68 11.184 5.375 1.434 545 HG2 LYS 68 2HG LYS 68 11.903 6.662 3.243 546 HG3 LYS 68 1HG LYS 68 12.549 5.048 3.542 547 HD2 LYS 68 2HD LYS 68 14.730 5.742 2.740 548 HD3 LYS 68 1HD LYS 68 14.090 7.337 2.325 549 HE2 LYS 68 2HE LYS 68 14.378 6.127 5.068 550 HE3 LYS 68 1HE LYS 68 15.220 7.534 4.420 551 HZ1 LYS 68 3HZ LYS 68 13.495 8.341 5.799 552 HZ2 LYS 68 1HZ LYS 68 12.345 7.307 5.108 553 HZ3 LYS 68 2HZ LYS 68 12.973 8.594 4.207 554 H GLY 69 H GLY 69 13.641 3.672 3.377 555 HA2 GLY 69 2HA GLY 69 12.513 2.367 4.977 556 HA3 GLY 69 1HA GLY 69 11.578 1.625 3.687 557 H HIS 70 H HIS 70 14.404 1.454 5.627 558 HA HIS 70 HA HIS 70 15.586 -0.662 4.042 559 HB2 HIS 70 2HB HIS 70 16.947 1.049 5.315 560 HB3 HIS 70 1HB HIS 70 16.434 0.248 6.798 561 HD1 HIS 70 1HD HIS 70 17.616 -1.902 7.440 562 HD2 HIS 70 2HD HIS 70 18.681 -0.514 3.667 563 HE1 HIS 70 1HE HIS 70 19.562 -3.314 6.722 564 HE2 HIS 70 2HE HIS 70 20.044 -2.601 4.359 565 H SER 71 H SER 71 13.889 -2.144 4.087 566 HA SER 71 HA SER 71 13.555 -3.547 6.653 567 HB2 SER 71 2HB SER 71 11.468 -2.472 5.781 568 HB3 SER 71 1HB SER 71 11.607 -3.458 4.327 569 HG SER 71 HG SER 71 11.279 -5.288 5.563 570 H GLU 72 H GLU 72 15.073 -5.108 6.508 571 HA GLU 72 HA GLU 72 15.551 -6.397 3.944 572 HB2 GLU 72 2HB GLU 72 17.472 -7.467 5.088 573 HB3 GLU 72 1HB GLU 72 17.515 -5.712 5.161 574 HG2 GLU 72 2HG GLU 72 16.391 -7.329 7.416 575 HG3 GLU 72 1HG GLU 72 18.124 -7.046 7.264 576 H GLY 73 H GLY 73 15.201 -8.486 3.464 577 HA2 GLY 73 2HA GLY 73 14.188 -10.273 5.567 578 HA3 GLY 73 1HA GLY 73 13.242 -10.055 4.099 579 H GLY 74 H GLY 74 16.558 -9.809 3.567 580 HA2 GLY 74 2HA GLY 74 17.858 -12.041 3.394 581 HA3 GLY 74 1HA GLY 74 16.545 -12.453 2.299 Start of MODEL 12 1 H1 VAL 1 1HT VAL 1 8.694 -3.182 5.130 2 H2 VAL 1 2HT VAL 1 9.321 -1.671 5.574 3 H3 VAL 1 3HT VAL 1 8.334 -1.808 4.205 4 HA VAL 1 HA VAL 1 7.164 -0.843 6.099 5 HB VAL 1 HB VAL 1 6.194 -3.589 5.264 6 HG11 VAL 1 2HG1 VAL 1 5.013 -2.832 7.255 7 HG12 VAL 1 3HG1 VAL 1 3.954 -2.764 5.846 8 HG13 VAL 1 1HG1 VAL 1 4.671 -1.285 6.480 9 HG21 VAL 1 1HG2 VAL 1 4.869 -2.362 3.612 10 HG22 VAL 1 2HG2 VAL 1 6.596 -2.092 3.382 11 HG23 VAL 1 3HG2 VAL 1 5.605 -0.851 4.147 12 H ASP 2 H ASP 2 6.634 -0.870 8.198 13 HA ASP 2 HA ASP 2 8.260 -2.599 9.864 14 HB2 ASP 2 2HB ASP 2 7.525 -1.002 11.673 15 HB3 ASP 2 1HB ASP 2 8.426 -0.265 10.353 16 H MET 3 H MET 3 5.161 -2.545 8.786 17 HA MET 3 HA MET 3 3.170 -3.476 9.336 18 HB2 MET 3 2HB MET 3 5.009 -5.350 10.817 19 HB3 MET 3 1HB MET 3 3.303 -5.658 10.526 20 HG2 MET 3 2HG MET 3 5.086 -5.053 8.222 21 HG3 MET 3 1HG MET 3 5.138 -6.643 8.957 22 HE1 MET 3 3HE MET 3 2.243 -4.034 8.035 23 HE2 MET 3 1HE MET 3 1.623 -4.839 6.592 24 HE3 MET 3 2HE MET 3 3.277 -4.226 6.617 25 H SER 4 H SER 4 4.641 -1.611 11.444 26 HA SER 4 HA SER 4 2.918 -2.231 13.731 27 HB2 SER 4 2HB SER 4 5.300 -1.796 14.203 28 HB3 SER 4 1HB SER 4 5.158 -0.206 13.456 29 HG SER 4 HG SER 4 4.343 0.528 15.245 30 H ASN 5 H ASN 5 3.642 0.200 11.339 31 HA ASN 5 HA ASN 5 1.681 2.089 12.256 32 HB2 ASN 5 2HB ASN 5 3.436 1.886 9.811 33 HB3 ASN 5 1HB ASN 5 2.249 3.173 10.000 34 HD21 ASN 5 1HD2 ASN 5 5.327 2.913 10.046 35 HD22 ASN 5 2HD2 ASN 5 5.763 3.869 11.419 36 H VAL 6 H VAL 6 1.550 -0.736 10.400 37 HA VAL 6 HA VAL 6 -0.623 0.056 8.667 38 HB VAL 6 HB VAL 6 1.061 -1.637 7.964 39 HG11 VAL 6 1HG1 VAL 6 -0.248 -3.385 10.033 40 HG12 VAL 6 2HG1 VAL 6 1.382 -2.714 10.113 41 HG13 VAL 6 3HG1 VAL 6 0.974 -3.888 8.860 42 HG21 VAL 6 3HG2 VAL 6 -1.757 -2.699 8.102 43 HG22 VAL 6 1HG2 VAL 6 -0.500 -3.241 6.990 44 HG23 VAL 6 2HG2 VAL 6 -1.124 -1.595 6.881 45 H VAL 7 H VAL 7 -2.776 -0.622 8.819 46 HA VAL 7 HA VAL 7 -3.548 -1.852 11.388 47 HB VAL 7 HB VAL 7 -5.866 -0.828 10.786 48 HG11 VAL 7 1HG1 VAL 7 -5.289 1.212 12.023 49 HG12 VAL 7 2HG1 VAL 7 -3.577 0.861 11.782 50 HG13 VAL 7 3HG1 VAL 7 -4.572 -0.228 12.745 51 HG21 VAL 7 3HG2 VAL 7 -4.023 1.023 9.277 52 HG22 VAL 7 1HG2 VAL 7 -5.739 1.291 9.591 53 HG23 VAL 7 2HG2 VAL 7 -5.229 -0.044 8.554 54 H LYS 8 H LYS 8 -4.346 -1.666 7.935 55 HA LYS 8 HA LYS 8 -5.509 -4.353 8.145 56 HB2 LYS 8 2HB LYS 8 -7.342 -2.721 8.178 57 HB3 LYS 8 1HB LYS 8 -6.729 -1.992 6.700 58 HG2 LYS 8 2HG LYS 8 -8.611 -3.369 6.174 59 HG3 LYS 8 1HG LYS 8 -7.154 -4.103 5.511 60 HD2 LYS 8 2HD LYS 8 -7.086 -5.697 7.333 61 HD3 LYS 8 1HD LYS 8 -8.470 -4.914 8.103 62 HE2 LYS 8 2HE LYS 8 -8.541 -6.166 5.359 63 HE3 LYS 8 1HE LYS 8 -9.022 -6.999 6.837 64 HZ1 LYS 8 3HZ LYS 8 -10.838 -5.897 5.458 65 HZ2 LYS 8 1HZ LYS 8 -10.252 -4.422 6.051 66 HZ3 LYS 8 2HZ LYS 8 -10.843 -5.592 7.124 67 H THR 9 H THR 9 -4.849 -5.696 6.635 68 HA THR 9 HA THR 9 -3.578 -4.595 4.216 69 HB THR 9 HB THR 9 -2.963 -7.171 5.676 70 HG1 THR 9 1HG THR 9 -1.748 -5.818 6.766 71 HG21 THR 9 3HG2 THR 9 -1.727 -6.002 3.179 72 HG22 THR 9 1HG2 THR 9 -2.708 -7.464 3.271 73 HG23 THR 9 2HG2 THR 9 -1.125 -7.413 4.048 74 H TYR 10 H TYR 10 -4.812 -4.914 2.469 75 HA TYR 10 HA TYR 10 -6.850 -6.997 2.503 76 HB2 TYR 10 2HB TYR 10 -6.289 -5.049 0.268 77 HB3 TYR 10 1HB TYR 10 -7.755 -5.979 0.535 78 HD1 TYR 10 2HD TYR 10 -8.900 -5.466 2.917 79 HD2 TYR 10 1HD TYR 10 -6.332 -2.842 0.782 80 HE1 TYR 10 2HE TYR 10 -9.863 -3.545 4.126 81 HE2 TYR 10 1HE TYR 10 -7.281 -0.916 1.957 82 HH TYR 10 HH TYR 10 -9.427 -0.349 3.119 83 H ASP 11 H ASP 11 -6.945 -8.695 1.046 84 HA ASP 11 HA ASP 11 -4.472 -9.315 -0.373 85 HB2 ASP 11 2HB ASP 11 -6.665 -10.885 0.724 86 HB3 ASP 11 1HB ASP 11 -6.293 -11.344 -0.933 87 H LEU 12 H LEU 12 -4.229 -8.752 -2.400 88 HA LEU 12 HA LEU 12 -6.511 -7.803 -3.911 89 HB2 LEU 12 2HB LEU 12 -3.547 -7.635 -4.155 90 HB3 LEU 12 1HB LEU 12 -4.480 -7.525 -5.642 91 HG LEU 12 HG LEU 12 -4.123 -5.303 -4.998 92 HD11 LEU 12 1HD1 LEU 12 -6.825 -6.058 -3.910 93 HD12 LEU 12 2HD1 LEU 12 -6.440 -5.700 -5.593 94 HD13 LEU 12 3HD1 LEU 12 -6.313 -4.435 -4.370 95 HD21 LEU 12 3HD2 LEU 12 -4.516 -4.436 -2.739 96 HD22 LEU 12 1HD2 LEU 12 -3.276 -5.691 -2.763 97 HD23 LEU 12 2HD2 LEU 12 -4.901 -6.070 -2.191 98 H GLN 13 H GLN 13 -7.323 -8.716 -5.749 99 HA GLN 13 HA GLN 13 -7.145 -11.496 -6.144 100 HB2 GLN 13 2HB GLN 13 -8.106 -9.282 -7.954 101 HB3 GLN 13 1HB GLN 13 -8.261 -10.985 -8.358 102 HG2 GLN 13 2HG GLN 13 -9.699 -11.351 -6.471 103 HG3 GLN 13 1HG GLN 13 -9.437 -9.701 -5.903 104 HE21 GLN 13 1HE2 GLN 13 -11.635 -9.228 -5.987 105 HE22 GLN 13 2HE2 GLN 13 -12.456 -8.961 -7.494 106 H ASP 14 H ASP 14 -5.217 -8.916 -7.225 107 HA ASP 14 HA ASP 14 -4.019 -10.009 -9.524 108 HB2 ASP 14 2HB ASP 14 -3.860 -7.666 -9.083 109 HB3 ASP 14 1HB ASP 14 -3.122 -7.951 -7.515 110 H GLY 15 H GLY 15 -3.622 -10.620 -6.169 111 HA2 GLY 15 2HA GLY 15 -2.414 -12.600 -5.463 112 HA3 GLY 15 1HA GLY 15 -1.265 -12.292 -6.762 113 H SER 16 H SER 16 -1.684 -9.357 -5.887 114 HA SER 16 HA SER 16 0.508 -9.317 -3.989 115 HB2 SER 16 2HB SER 16 -0.923 -6.998 -5.295 116 HB3 SER 16 1HB SER 16 0.623 -6.953 -4.455 117 HG SER 16 HG SER 16 -0.003 -7.978 -6.997 118 H LYS 17 H LYS 17 0.142 -7.182 -2.486 119 HA LYS 17 HA LYS 17 -2.503 -7.350 -1.252 120 HB2 LYS 17 2HB LYS 17 0.138 -7.880 0.062 121 HB3 LYS 17 1HB LYS 17 -1.158 -7.142 0.982 122 HG2 LYS 17 2HG LYS 17 -2.579 -9.083 0.532 123 HG3 LYS 17 1HG LYS 17 -1.260 -9.826 -0.380 124 HD2 LYS 17 2HD LYS 17 0.104 -9.990 1.557 125 HD3 LYS 17 1HD LYS 17 -0.977 -8.955 2.488 126 HE2 LYS 17 2HE LYS 17 -1.235 -11.277 3.152 127 HE3 LYS 17 1HE LYS 17 -2.707 -10.678 2.394 128 HZ1 LYS 17 3HZ LYS 17 -0.691 -12.159 0.831 129 HZ2 LYS 17 1HZ LYS 17 -2.335 -11.925 0.490 130 HZ3 LYS 17 2HZ LYS 17 -1.862 -12.978 1.737 131 H VAL 18 H VAL 18 -2.735 -5.517 0.344 132 HA VAL 18 HA VAL 18 -0.854 -3.330 -0.159 133 HB VAL 18 HB VAL 18 -2.787 -2.881 -1.566 134 HG11 VAL 18 1HG1 VAL 18 -4.427 -3.011 0.954 135 HG12 VAL 18 2HG1 VAL 18 -4.486 -4.145 -0.396 136 HG13 VAL 18 3HG1 VAL 18 -5.005 -2.476 -0.623 137 HG21 VAL 18 3HG2 VAL 18 -2.581 -1.098 0.847 138 HG22 VAL 18 1HG2 VAL 18 -3.440 -0.671 -0.634 139 HG23 VAL 18 2HG2 VAL 18 -1.698 -0.963 -0.680 140 H HIS 19 H HIS 19 -0.115 -2.462 1.680 141 HA HIS 19 HA HIS 19 -1.457 -3.301 4.162 142 HB2 HIS 19 2HB HIS 19 1.210 -1.946 4.200 143 HB3 HIS 19 1HB HIS 19 0.567 -3.167 5.287 144 HD1 HIS 19 1HD HIS 19 0.343 -5.675 3.892 145 HD2 HIS 19 2HD HIS 19 3.193 -2.886 2.713 146 HE1 HIS 19 1HE HIS 19 2.078 -6.989 2.593 147 HE2 HIS 19 2HE HIS 19 3.916 -5.303 2.146 148 H VAL 20 H VAL 20 -2.977 -1.798 4.623 149 HA VAL 20 HA VAL 20 -2.502 1.017 4.008 150 HB VAL 20 HB VAL 20 -4.920 0.043 5.487 151 HG11 VAL 20 1HG1 VAL 20 -6.018 1.751 4.141 152 HG12 VAL 20 2HG1 VAL 20 -4.505 2.050 3.281 153 HG13 VAL 20 3HG1 VAL 20 -4.632 2.421 5.006 154 HG21 VAL 20 3HG2 VAL 20 -5.981 -0.573 3.352 155 HG22 VAL 20 1HG2 VAL 20 -4.633 -1.635 3.766 156 HG23 VAL 20 2HG2 VAL 20 -4.425 -0.381 2.543 157 H PHE 21 H PHE 21 -1.928 2.527 5.469 158 HA PHE 21 HA PHE 21 -1.311 1.485 8.143 159 HB2 PHE 21 2HB PHE 21 -0.115 3.911 6.809 160 HB3 PHE 21 1HB PHE 21 0.460 3.089 8.249 161 HD1 PHE 21 2HD PHE 21 1.189 0.630 7.959 162 HD2 PHE 21 1HD PHE 21 0.820 3.391 4.735 163 HE1 PHE 21 2HE PHE 21 2.661 -0.779 6.589 164 HE2 PHE 21 1HE PHE 21 2.289 1.978 3.362 165 HZ PHE 21 HZ PHE 21 3.263 -0.035 4.266 166 H LYS 22 H LYS 22 -1.239 3.118 9.883 167 HA LYS 22 HA LYS 22 -3.718 4.471 10.189 168 HB2 LYS 22 2HB LYS 22 -1.157 4.555 11.790 169 HB3 LYS 22 1HB LYS 22 -2.652 5.330 12.296 170 HG2 LYS 22 2HG LYS 22 -3.756 3.216 12.483 171 HG3 LYS 22 1HG LYS 22 -2.376 2.381 11.770 172 HD2 LYS 22 2HD LYS 22 -2.252 3.937 14.349 173 HD3 LYS 22 1HD LYS 22 -2.533 2.196 14.264 174 HE2 LYS 22 2HE LYS 22 -0.393 1.859 13.203 175 HE3 LYS 22 1HE LYS 22 -0.125 3.600 13.110 176 HZ1 LYS 22 3HZ LYS 22 1.099 2.619 14.946 177 HZ2 LYS 22 1HZ LYS 22 -0.338 2.015 15.619 178 HZ3 LYS 22 2HZ LYS 22 -0.082 3.688 15.524 179 H ASP 23 H ASP 23 -1.100 5.308 8.409 180 HA ASP 23 HA ASP 23 -0.814 8.066 9.076 181 HB2 ASP 23 2HB ASP 23 1.037 6.882 8.069 182 HB3 ASP 23 1HB ASP 23 0.062 6.462 6.666 183 H GLY 24 H GLY 24 -3.108 6.304 7.315 184 HA2 GLY 24 2HA GLY 24 -5.122 7.330 6.543 185 HA3 GLY 24 1HA GLY 24 -4.213 8.806 6.232 186 H LYS 25 H LYS 25 -2.272 6.435 5.197 187 HA LYS 25 HA LYS 25 -3.441 6.349 2.500 188 HB2 LYS 25 2HB LYS 25 -0.470 6.464 3.019 189 HB3 LYS 25 1HB LYS 25 -1.311 6.684 1.494 190 HG2 LYS 25 2HG LYS 25 -2.292 8.789 2.461 191 HG3 LYS 25 1HG LYS 25 -1.174 8.590 3.813 192 HD2 LYS 25 2HD LYS 25 0.661 8.449 2.031 193 HD3 LYS 25 1HD LYS 25 -0.547 9.089 0.919 194 HE2 LYS 25 2HE LYS 25 0.650 10.961 1.699 195 HE3 LYS 25 1HE LYS 25 -0.877 10.975 2.579 196 HZ1 LYS 25 3HZ LYS 25 1.782 10.127 3.587 197 HZ2 LYS 25 1HZ LYS 25 0.340 9.804 4.415 198 HZ3 LYS 25 2HZ LYS 25 0.821 11.404 4.144 199 H MET 26 H MET 26 -2.180 4.534 1.223 200 HA MET 26 HA MET 26 -1.953 2.254 3.067 201 HB2 MET 26 2HB MET 26 -2.427 1.922 0.124 202 HB3 MET 26 1HB MET 26 -2.853 0.841 1.443 203 HG2 MET 26 2HG MET 26 -4.505 2.649 2.153 204 HG3 MET 26 1HG MET 26 -4.210 3.349 0.565 205 HE1 MET 26 3HE MET 26 -4.934 2.303 -1.690 206 HE2 MET 26 1HE MET 26 -5.551 0.658 -1.866 207 HE3 MET 26 2HE MET 26 -3.887 0.926 -1.346 208 H GLY 27 H GLY 27 -0.594 0.467 1.894 209 HA2 GLY 27 2HA GLY 27 1.665 1.687 0.477 210 HA3 GLY 27 1HA GLY 27 1.959 0.643 1.850 211 H MET 28 H MET 28 1.379 0.855 -1.415 212 HA MET 28 HA MET 28 0.419 -1.781 -1.898 213 HB2 MET 28 2HB MET 28 0.041 0.060 -3.445 214 HB3 MET 28 1HB MET 28 1.771 0.241 -3.687 215 HG2 MET 28 2HG MET 28 1.307 -0.947 -5.522 216 HG3 MET 28 1HG MET 28 1.538 -2.286 -4.405 217 HE1 MET 28 3HE MET 28 -2.388 -2.964 -3.584 218 HE2 MET 28 1HE MET 28 -1.364 -1.800 -2.732 219 HE3 MET 28 2HE MET 28 -0.752 -3.424 -3.089 220 H GLU 29 H GLU 29 1.541 -3.563 -1.681 221 HA GLU 29 HA GLU 29 4.307 -3.794 -2.480 222 HB2 GLU 29 2HB GLU 29 4.305 -2.856 -0.100 223 HB3 GLU 29 1HB GLU 29 3.556 -4.350 0.395 224 HG2 GLU 29 2HG GLU 29 5.488 -5.588 -0.229 225 HG3 GLU 29 1HG GLU 29 6.223 -4.159 -0.959 226 H ASN 30 H ASN 30 4.805 -6.026 -2.804 227 HA ASN 30 HA ASN 30 2.508 -7.646 -3.157 228 HB2 ASN 30 2HB ASN 30 4.021 -9.432 -3.814 229 HB3 ASN 30 1HB ASN 30 4.474 -7.928 -4.589 230 HD21 ASN 30 1HD2 ASN 30 6.505 -8.780 -4.999 231 HD22 ASN 30 2HD2 ASN 30 7.709 -8.916 -3.762 232 H LYS 31 H LYS 31 2.370 -9.896 -2.168 233 HA LYS 31 HA LYS 31 1.807 -9.467 0.533 234 HB2 LYS 31 2HB LYS 31 1.573 -12.056 0.536 235 HB3 LYS 31 1HB LYS 31 0.462 -11.064 -0.393 236 HG2 LYS 31 2HG LYS 31 1.082 -12.924 -1.723 237 HG3 LYS 31 1HG LYS 31 1.859 -11.500 -2.402 238 HD2 LYS 31 2HD LYS 31 3.956 -12.116 -1.501 239 HD3 LYS 31 1HD LYS 31 3.232 -13.377 -0.503 240 HE2 LYS 31 2HE LYS 31 4.319 -14.375 -2.425 241 HE3 LYS 31 1HE LYS 31 2.576 -14.597 -2.531 242 HZ1 LYS 31 3HZ LYS 31 2.516 -12.676 -4.063 243 HZ2 LYS 31 1HZ LYS 31 3.422 -13.976 -4.663 244 HZ3 LYS 31 2HZ LYS 31 4.208 -12.615 -4.030 245 H PHE 32 H PHE 32 4.750 -10.457 -0.907 246 HA PHE 32 HA PHE 32 5.832 -11.678 1.452 247 HB2 PHE 32 2HB PHE 32 7.103 -10.717 -1.106 248 HB3 PHE 32 1HB PHE 32 8.034 -11.413 0.219 249 HD1 PHE 32 2HD PHE 32 5.978 -13.484 1.044 250 HD2 PHE 32 1HD PHE 32 7.538 -12.344 -2.745 251 HE1 PHE 32 2HE PHE 32 5.537 -15.747 0.186 252 HE2 PHE 32 1HE PHE 32 7.094 -14.606 -3.613 253 HZ PHE 32 HZ PHE 32 6.094 -16.310 -2.142 254 H GLY 33 H GLY 33 5.637 -8.403 0.219 255 HA2 GLY 33 2HA GLY 33 6.121 -6.496 1.520 256 HA3 GLY 33 1HA GLY 33 7.129 -7.494 2.573 257 H LYS 34 H LYS 34 7.325 -7.692 -0.870 258 HA LYS 34 HA LYS 34 9.970 -6.440 -0.824 259 HB2 LYS 34 2HB LYS 34 8.632 -8.460 -2.545 260 HB3 LYS 34 1HB LYS 34 9.756 -7.373 -3.340 261 HG2 LYS 34 2HG LYS 34 10.885 -9.404 -2.707 262 HG3 LYS 34 1HG LYS 34 11.509 -8.057 -1.757 263 HD2 LYS 34 2HD LYS 34 10.073 -8.730 0.117 264 HD3 LYS 34 1HD LYS 34 9.485 -10.096 -0.835 265 HE2 LYS 34 2HE LYS 34 12.357 -9.621 -0.030 266 HE3 LYS 34 1HE LYS 34 11.252 -10.753 0.751 267 HZ1 LYS 34 3HZ LYS 34 12.121 -10.878 -2.090 268 HZ2 LYS 34 1HZ LYS 34 11.091 -11.983 -1.316 269 HZ3 LYS 34 2HZ LYS 34 12.712 -11.857 -0.840 270 H SER 35 H SER 35 10.476 -4.745 -2.241 271 HA SER 35 HA SER 35 8.510 -2.765 -2.306 272 HB2 SER 35 2HB SER 35 10.950 -2.332 -2.220 273 HB3 SER 35 1HB SER 35 11.085 -2.857 -3.898 274 HG SER 35 HG SER 35 9.832 -0.558 -2.845 275 H MET 36 H MET 36 6.735 -2.889 -3.479 276 HA MET 36 HA MET 36 7.000 -3.416 -6.371 277 HB2 MET 36 2HB MET 36 5.639 -5.127 -5.196 278 HB3 MET 36 1HB MET 36 4.585 -3.862 -4.583 279 HG2 MET 36 2HG MET 36 3.895 -3.316 -6.850 280 HG3 MET 36 1HG MET 36 4.982 -4.545 -7.488 281 HE1 MET 36 3HE MET 36 2.704 -4.652 -4.295 282 HE2 MET 36 1HE MET 36 1.283 -5.508 -4.892 283 HE3 MET 36 2HE MET 36 1.637 -3.880 -5.470 284 H ASN 37 H ASN 37 5.768 -2.069 -7.756 285 HA ASN 37 HA ASN 37 4.957 0.464 -6.503 286 HB2 ASN 37 2HB ASN 37 6.038 1.574 -8.548 287 HB3 ASN 37 1HB ASN 37 7.121 0.953 -7.305 288 HD21 ASN 37 1HD2 ASN 37 8.328 -0.909 -7.714 289 HD22 ASN 37 2HD2 ASN 37 8.542 -1.528 -9.312 290 H MET 38 H MET 38 3.111 1.271 -7.192 291 HA MET 38 HA MET 38 2.035 0.427 -9.781 292 HB2 MET 38 2HB MET 38 0.847 -0.961 -8.223 293 HB3 MET 38 1HB MET 38 0.573 0.393 -7.132 294 HG2 MET 38 2HG MET 38 -0.922 1.424 -8.715 295 HG3 MET 38 1HG MET 38 -0.572 0.177 -9.906 296 HE1 MET 38 3HE MET 38 -1.421 -2.296 -9.768 297 HE2 MET 38 1HE MET 38 -2.283 -2.971 -8.386 298 HE3 MET 38 2HE MET 38 -0.592 -2.493 -8.222 299 HA PRO 39 HA PRO 39 1.625 4.864 -10.063 300 HB2 PRO 39 2HB PRO 39 0.398 4.889 -12.491 301 HB3 PRO 39 1HB PRO 39 2.139 4.657 -12.290 302 HG2 PRO 39 2HG PRO 39 -0.007 2.619 -12.736 303 HG3 PRO 39 1HG PRO 39 1.608 2.721 -13.464 304 HD2 PRO 39 2HD PRO 39 1.047 1.043 -11.419 305 HD3 PRO 39 1HD PRO 39 2.637 1.806 -11.614 306 H GLU 40 H GLU 40 -0.133 6.407 -10.400 307 HA GLU 40 HA GLU 40 -2.398 5.613 -8.864 308 HB2 GLU 40 2HB GLU 40 -3.119 7.973 -9.170 309 HB3 GLU 40 1HB GLU 40 -1.498 7.804 -8.518 310 HG2 GLU 40 2HG GLU 40 -0.542 8.294 -10.689 311 HG3 GLU 40 1HG GLU 40 -2.154 8.389 -11.397 312 H GLY 41 H GLY 41 -4.411 5.117 -9.473 313 HA2 GLY 41 2HA GLY 41 -6.293 5.611 -10.957 314 HA3 GLY 41 1HA GLY 41 -5.153 5.603 -12.291 315 H LYS 42 H LYS 42 -4.003 3.163 -10.651 316 HA LYS 42 HA LYS 42 -5.156 1.172 -12.305 317 HB2 LYS 42 2HB LYS 42 -3.398 0.971 -9.859 318 HB3 LYS 42 1HB LYS 42 -3.852 -0.402 -10.855 319 HG2 LYS 42 2HG LYS 42 -2.463 1.984 -12.019 320 HG3 LYS 42 1HG LYS 42 -1.570 0.672 -11.248 321 HD2 LYS 42 2HD LYS 42 -2.696 -0.917 -12.816 322 HD3 LYS 42 1HD LYS 42 -3.395 0.477 -13.644 323 HE2 LYS 42 2HE LYS 42 -1.198 1.304 -14.200 324 HE3 LYS 42 1HE LYS 42 -0.440 0.026 -13.252 325 HZ1 LYS 42 3HZ LYS 42 -2.085 -0.385 -15.693 326 HZ2 LYS 42 1HZ LYS 42 -1.334 -1.608 -14.787 327 HZ3 LYS 42 2HZ LYS 42 -0.393 -0.468 -15.615 328 H VAL 43 H VAL 43 -6.733 -0.263 -11.959 329 HA VAL 43 HA VAL 43 -8.503 0.072 -9.697 330 HB VAL 43 HB VAL 43 -8.624 -1.926 -11.965 331 HG11 VAL 43 1HG1 VAL 43 -10.989 -2.139 -11.353 332 HG12 VAL 43 2HG1 VAL 43 -10.727 -1.063 -9.982 333 HG13 VAL 43 3HG1 VAL 43 -9.928 -2.635 -10.035 334 HG21 VAL 43 3HG2 VAL 43 -10.316 -0.389 -12.913 335 HG22 VAL 43 1HG2 VAL 43 -8.709 0.332 -12.826 336 HG23 VAL 43 2HG2 VAL 43 -9.937 0.770 -11.638 337 H MET 44 H MET 44 -8.224 -0.931 -7.845 338 HA MET 44 HA MET 44 -6.894 -3.574 -7.783 339 HB2 MET 44 2HB MET 44 -7.100 -1.469 -5.634 340 HB3 MET 44 1HB MET 44 -6.380 -3.060 -5.431 341 HG2 MET 44 2HG MET 44 -4.698 -2.503 -7.112 342 HG3 MET 44 1HG MET 44 -5.412 -0.897 -7.280 343 HE1 MET 44 3HE MET 44 -6.199 -0.079 -4.367 344 HE2 MET 44 1HE MET 44 -5.319 0.973 -5.474 345 HE3 MET 44 2HE MET 44 -4.725 0.727 -3.830 346 H GLU 45 H GLU 45 -8.386 -5.164 -7.501 347 HA GLU 45 HA GLU 45 -10.740 -4.509 -5.854 348 HB2 GLU 45 2HB GLU 45 -11.098 -5.146 -8.297 349 HB3 GLU 45 1HB GLU 45 -10.575 -6.765 -7.849 350 HG2 GLU 45 2HG GLU 45 -12.423 -7.045 -6.389 351 HG3 GLU 45 1HG GLU 45 -12.871 -5.345 -6.536 352 H THR 46 H THR 46 -10.757 -5.384 -3.910 353 HA THR 46 HA THR 46 -8.753 -7.261 -3.112 354 HB THR 46 HB THR 46 -9.603 -7.045 -0.882 355 HG1 THR 46 1HG THR 46 -11.646 -6.618 -0.455 356 HG21 THR 46 3HG2 THR 46 -9.685 -4.599 -0.596 357 HG22 THR 46 1HG2 THR 46 -9.893 -4.414 -2.337 358 HG23 THR 46 2HG2 THR 46 -8.396 -5.095 -1.696 359 H ARG 47 H ARG 47 -9.667 -9.103 -1.503 360 HA ARG 47 HA ARG 47 -10.977 -10.970 -3.216 361 HB2 ARG 47 2HB ARG 47 -10.334 -11.171 -0.271 362 HB3 ARG 47 1HB ARG 47 -10.878 -12.500 -1.277 363 HG2 ARG 47 2HG ARG 47 -8.264 -11.035 -1.389 364 HG3 ARG 47 1HG ARG 47 -8.553 -12.745 -1.064 365 HD2 ARG 47 2HD ARG 47 -8.873 -11.282 -3.672 366 HD3 ARG 47 1HD ARG 47 -7.718 -12.556 -3.286 367 HE ARG 47 HE ARG 47 -10.574 -13.197 -3.163 368 HH11 ARG 47 1HH1 ARG 47 -7.491 -13.522 -4.807 369 HH12 ARG 47 2HH1 ARG 47 -8.034 -14.822 -5.827 370 HH21 ARG 47 1HH2 ARG 47 -11.285 -14.885 -4.488 371 HH22 ARG 47 2HH2 ARG 47 -10.195 -15.615 -5.637 372 H ASP 48 H ASP 48 -12.121 -8.535 -1.245 373 HA ASP 48 HA ASP 48 -14.647 -9.794 -0.587 374 HB2 ASP 48 2HB ASP 48 -14.010 -6.846 -0.433 375 HB3 ASP 48 1HB ASP 48 -15.221 -7.742 0.479 376 H GLY 49 H GLY 49 -13.231 -8.360 -3.264 377 HA2 GLY 49 2HA GLY 49 -14.198 -7.836 -5.327 378 HA3 GLY 49 1HA GLY 49 -15.790 -7.900 -4.573 379 H THR 50 H THR 50 -13.272 -6.141 -3.044 380 HA THR 50 HA THR 50 -14.798 -3.685 -3.310 381 HB THR 50 HB THR 50 -12.269 -4.182 -1.728 382 HG1 THR 50 1HG THR 50 -13.475 -5.107 -0.249 383 HG21 THR 50 3HG2 THR 50 -12.784 -1.821 -2.068 384 HG22 THR 50 1HG2 THR 50 -13.060 -2.273 -0.384 385 HG23 THR 50 2HG2 THR 50 -14.428 -2.078 -1.482 386 H LYS 51 H LYS 51 -14.362 -2.306 -4.889 387 HA LYS 51 HA LYS 51 -11.786 -2.422 -6.229 388 HB2 LYS 51 2HB LYS 51 -14.466 -1.423 -6.893 389 HB3 LYS 51 1HB LYS 51 -13.142 -0.426 -7.478 390 HG2 LYS 51 2HG LYS 51 -12.168 -2.366 -8.594 391 HG3 LYS 51 1HG LYS 51 -13.497 -3.368 -8.005 392 HD2 LYS 51 2HD LYS 51 -13.808 -0.952 -9.781 393 HD3 LYS 51 1HD LYS 51 -13.796 -2.626 -10.343 394 HE2 LYS 51 2HE LYS 51 -15.746 -3.103 -8.926 395 HE3 LYS 51 1HE LYS 51 -15.765 -1.421 -8.401 396 HZ1 LYS 51 3HZ LYS 51 -17.377 -1.899 -10.178 397 HZ2 LYS 51 1HZ LYS 51 -16.103 -2.313 -11.215 398 HZ3 LYS 51 2HZ LYS 51 -16.242 -0.727 -10.637 399 H ILE 52 H ILE 52 -10.236 -1.418 -5.250 400 HA ILE 52 HA ILE 52 -10.685 1.298 -4.206 401 HB ILE 52 HB ILE 52 -8.463 -0.655 -3.551 402 HG12 ILE 52 2HG1 ILE 52 -10.803 0.234 -1.848 403 HG13 ILE 52 1HG1 ILE 52 -10.701 -1.316 -2.677 404 HG21 ILE 52 1HG2 ILE 52 -7.751 1.666 -3.388 405 HG22 ILE 52 2HG2 ILE 52 -7.873 0.933 -1.788 406 HG23 ILE 52 3HG2 ILE 52 -9.133 2.029 -2.354 407 HD11 ILE 52 3HD1 ILE 52 -8.734 -1.887 -1.339 408 HD12 ILE 52 1HD1 ILE 52 -10.147 -1.553 -0.339 409 HD13 ILE 52 2HD1 ILE 52 -8.871 -0.345 -0.496 410 H ILE 53 H ILE 53 -9.727 2.921 -5.269 411 HA ILE 53 HA ILE 53 -8.090 2.239 -7.577 412 HB ILE 53 HB ILE 53 -9.194 4.924 -6.703 413 HG12 ILE 53 2HG1 ILE 53 -10.574 4.544 -8.875 414 HG13 ILE 53 1HG1 ILE 53 -10.156 2.850 -8.663 415 HG21 ILE 53 1HG2 ILE 53 -7.153 5.181 -8.010 416 HG22 ILE 53 2HG2 ILE 53 -8.560 5.720 -8.927 417 HG23 ILE 53 3HG2 ILE 53 -7.827 4.156 -9.278 418 HD11 ILE 53 3HD1 ILE 53 -11.660 4.564 -6.698 419 HD12 ILE 53 1HD1 ILE 53 -11.236 2.869 -6.465 420 HD13 ILE 53 2HD1 ILE 53 -12.350 3.330 -7.753 421 H MET 54 H MET 54 -5.950 2.672 -7.762 422 HA MET 54 HA MET 54 -4.448 3.350 -5.403 423 HB2 MET 54 2HB MET 54 -3.752 1.769 -7.300 424 HB3 MET 54 1HB MET 54 -3.385 3.211 -8.229 425 HG2 MET 54 2HG MET 54 -1.331 2.631 -7.353 426 HG3 MET 54 1HG MET 54 -1.898 3.867 -6.229 427 HE1 MET 54 3HE MET 54 0.042 1.533 -3.819 428 HE2 MET 54 1HE MET 54 -0.070 3.120 -4.585 429 HE3 MET 54 2HE MET 54 0.494 1.732 -5.520 430 H LYS 55 H LYS 55 -6.106 5.438 -5.803 431 HA LYS 55 HA LYS 55 -4.279 7.619 -6.435 432 HB2 LYS 55 2HB LYS 55 -5.505 7.229 -8.539 433 HB3 LYS 55 1HB LYS 55 -7.033 7.365 -7.680 434 HG2 LYS 55 2HG LYS 55 -6.383 9.708 -7.087 435 HG3 LYS 55 1HG LYS 55 -5.011 9.531 -8.182 436 HD2 LYS 55 2HD LYS 55 -7.873 9.084 -9.010 437 HD3 LYS 55 1HD LYS 55 -7.047 10.632 -9.168 438 HE2 LYS 55 2HE LYS 55 -5.914 8.121 -10.353 439 HE3 LYS 55 1HE LYS 55 -7.119 9.077 -11.210 440 HZ1 LYS 55 3HZ LYS 55 -4.482 10.081 -10.264 441 HZ2 LYS 55 1HZ LYS 55 -5.650 10.986 -11.101 442 HZ3 LYS 55 2HZ LYS 55 -4.875 9.680 -11.862 443 H GLY 56 H GLY 56 -4.683 9.435 -5.202 444 HA2 GLY 56 2HA GLY 56 -5.717 10.764 -3.609 445 HA3 GLY 56 1HA GLY 56 -7.116 9.702 -3.678 446 H ASN 57 H ASN 57 -6.924 7.611 -2.593 447 HA ASN 57 HA ASN 57 -5.897 7.926 0.038 448 HB2 ASN 57 2HB ASN 57 -6.790 5.746 0.515 449 HB3 ASN 57 1HB ASN 57 -7.943 6.613 -0.484 450 HD21 ASN 57 1HD2 ASN 57 -6.383 6.114 -2.950 451 HD22 ASN 57 2HD2 ASN 57 -6.664 4.457 -3.339 452 H GLU 58 H GLU 58 -4.310 7.099 -2.772 453 HA GLU 58 HA GLU 58 -1.992 6.387 -1.237 454 HB2 GLU 58 2HB GLU 58 -3.436 4.296 -2.526 455 HB3 GLU 58 1HB GLU 58 -1.908 4.526 -3.374 456 HG2 GLU 58 2HG GLU 58 -0.877 4.558 -1.015 457 HG3 GLU 58 1HG GLU 58 -2.392 3.806 -0.524 458 H ILE 59 H ILE 59 -1.674 8.545 -2.053 459 HA ILE 59 HA ILE 59 -0.820 8.600 -4.847 460 HB ILE 59 HB ILE 59 -0.727 10.981 -4.715 461 HG12 ILE 59 2HG1 ILE 59 0.172 11.117 -2.363 462 HG13 ILE 59 1HG1 ILE 59 -1.066 12.305 -2.747 463 HG21 ILE 59 1HG2 ILE 59 -2.903 10.044 -5.090 464 HG22 ILE 59 2HG2 ILE 59 -3.034 11.538 -4.163 465 HG23 ILE 59 3HG2 ILE 59 -3.197 9.980 -3.353 466 HD11 ILE 59 3HD1 ILE 59 -1.474 9.770 -1.176 467 HD12 ILE 59 1HD1 ILE 59 -2.720 10.961 -1.554 468 HD13 ILE 59 2HD1 ILE 59 -1.363 11.401 -0.517 469 H PHE 60 H PHE 60 0.341 9.056 -1.582 470 HA PHE 60 HA PHE 60 3.066 9.432 -2.528 471 HB2 PHE 60 2HB PHE 60 2.137 10.911 -0.772 472 HB3 PHE 60 1HB PHE 60 1.912 9.512 0.268 473 HD1 PHE 60 2HD PHE 60 4.550 11.334 -1.614 474 HD2 PHE 60 1HD PHE 60 3.573 8.946 1.767 475 HE1 PHE 60 2HE PHE 60 6.832 11.631 -0.750 476 HE2 PHE 60 1HE PHE 60 5.857 9.234 2.633 477 HZ PHE 60 HZ PHE 60 7.470 10.638 1.403 478 H ARG 61 H ARG 61 0.951 7.080 -1.363 479 HA ARG 61 HA ARG 61 1.096 4.913 -0.741 480 HB2 ARG 61 2HB ARG 61 3.374 4.946 -2.722 481 HB3 ARG 61 1HB ARG 61 2.503 3.522 -2.180 482 HG2 ARG 61 2HG ARG 61 1.275 3.813 -4.020 483 HG3 ARG 61 1HG ARG 61 0.479 5.102 -3.114 484 HD2 ARG 61 2HD ARG 61 1.234 5.792 -5.377 485 HD3 ARG 61 1HD ARG 61 1.933 6.753 -4.073 486 HE ARG 61 HE ARG 61 3.376 4.581 -5.449 487 HH11 ARG 61 1HH1 ARG 61 3.244 7.826 -4.182 488 HH12 ARG 61 2HH1 ARG 61 4.975 8.040 -4.190 489 HH21 ARG 61 1HH2 ARG 61 5.649 4.887 -5.542 490 HH22 ARG 61 2HH2 ARG 61 6.331 6.375 -4.959 491 H LEU 62 H LEU 62 4.432 4.519 -1.401 492 HA LEU 62 HA LEU 62 4.922 4.217 1.486 493 HB2 LEU 62 2HB LEU 62 4.453 2.080 0.249 494 HB3 LEU 62 1HB LEU 62 5.897 2.377 -0.697 495 HG LEU 62 HG LEU 62 7.163 2.388 1.519 496 HD11 LEU 62 1HD1 LEU 62 6.104 1.158 3.350 497 HD12 LEU 62 2HD1 LEU 62 4.591 1.119 2.445 498 HD13 LEU 62 3HD1 LEU 62 5.251 2.659 2.993 499 HD21 LEU 62 3HD2 LEU 62 7.354 -0.023 1.526 500 HD22 LEU 62 1HD2 LEU 62 7.236 0.576 -0.130 501 HD23 LEU 62 2HD2 LEU 62 5.834 -0.170 0.642 502 H ASP 63 H ASP 63 5.710 6.268 -0.698 503 HA ASP 63 HA ASP 63 8.473 5.992 -1.199 504 HB2 ASP 63 2HB ASP 63 6.711 8.446 -1.114 505 HB3 ASP 63 1HB ASP 63 8.423 8.534 -1.504 506 H GLU 64 H GLU 64 6.781 6.836 1.630 507 HA GLU 64 HA GLU 64 8.755 8.445 2.898 508 HB2 GLU 64 2HB GLU 64 6.268 8.243 3.472 509 HB3 GLU 64 1HB GLU 64 6.685 6.744 4.285 510 HG2 GLU 64 2HG GLU 64 6.613 8.375 5.963 511 HG3 GLU 64 1HG GLU 64 8.325 8.089 5.653 512 H ALA 65 H ALA 65 8.345 5.043 2.434 513 HA ALA 65 HA ALA 65 9.956 4.316 4.731 514 HB1 ALA 65 1HB ALA 65 8.823 2.549 2.565 515 HB2 ALA 65 2HB ALA 65 8.011 2.950 4.079 516 HB3 ALA 65 3HB ALA 65 9.511 2.023 4.103 517 H LEU 66 H LEU 66 10.374 4.754 1.298 518 HA LEU 66 HA LEU 66 12.874 3.296 1.273 519 HB2 LEU 66 2HB LEU 66 12.898 3.911 -1.127 520 HB3 LEU 66 1HB LEU 66 11.499 2.995 -0.628 521 HG LEU 66 HG LEU 66 10.342 5.328 -0.470 522 HD11 LEU 66 1HD1 LEU 66 11.194 6.955 -2.074 523 HD12 LEU 66 2HD1 LEU 66 12.602 5.935 -2.371 524 HD13 LEU 66 3HD1 LEU 66 12.359 6.662 -0.783 525 HD21 LEU 66 3HD2 LEU 66 9.673 5.148 -2.810 526 HD22 LEU 66 1HD2 LEU 66 9.733 3.564 -2.035 527 HD23 LEU 66 2HD2 LEU 66 11.031 4.066 -3.119 528 H ARG 67 H ARG 67 11.902 6.371 2.052 529 HA ARG 67 HA ARG 67 14.445 7.596 1.287 530 HB2 ARG 67 2HB ARG 67 13.398 9.728 1.874 531 HB3 ARG 67 1HB ARG 67 12.393 8.852 0.725 532 HG2 ARG 67 2HG ARG 67 10.769 8.388 2.286 533 HG3 ARG 67 1HG ARG 67 11.880 8.558 3.645 534 HD2 ARG 67 2HD ARG 67 10.349 10.413 3.619 535 HD3 ARG 67 1HD ARG 67 11.969 10.982 3.228 536 HE ARG 67 HE ARG 67 11.074 10.745 0.799 537 HH11 ARG 67 1HH1 ARG 67 9.166 11.665 3.585 538 HH12 ARG 67 2HH1 ARG 67 8.191 12.802 2.702 539 HH21 ARG 67 1HH2 ARG 67 9.780 12.224 -0.378 540 HH22 ARG 67 2HH2 ARG 67 8.543 13.124 0.452 541 H LYS 68 H LYS 68 14.901 9.400 3.105 542 HA LYS 68 HA LYS 68 15.258 7.934 5.621 543 HB2 LYS 68 2HB LYS 68 16.500 10.544 4.715 544 HB3 LYS 68 1HB LYS 68 16.904 9.662 6.178 545 HG2 LYS 68 2HG LYS 68 17.314 8.649 3.375 546 HG3 LYS 68 1HG LYS 68 18.562 9.357 4.397 547 HD2 LYS 68 2HD LYS 68 16.978 6.967 5.294 548 HD3 LYS 68 1HD LYS 68 18.398 6.788 4.264 549 HE2 LYS 68 2HE LYS 68 19.116 6.495 6.513 550 HE3 LYS 68 1HE LYS 68 19.694 8.073 5.989 551 HZ1 LYS 68 3HZ LYS 68 17.922 9.122 7.199 552 HZ2 LYS 68 1HZ LYS 68 18.761 8.081 8.242 553 HZ3 LYS 68 2HZ LYS 68 17.252 7.620 7.617 554 H GLY 69 H GLY 69 14.261 11.122 4.407 555 HA2 GLY 69 2HA GLY 69 12.581 12.526 5.081 556 HA3 GLY 69 1HA GLY 69 11.914 11.178 5.985 557 H HIS 70 H HIS 70 11.687 11.576 8.052 558 HA HIS 70 HA HIS 70 13.742 13.131 9.464 559 HB2 HIS 70 2HB HIS 70 11.881 14.670 8.951 560 HB3 HIS 70 1HB HIS 70 10.756 13.565 9.734 561 HD1 HIS 70 1HD HIS 70 10.653 13.594 12.300 562 HD2 HIS 70 2HD HIS 70 13.517 16.161 10.716 563 HE1 HIS 70 1HE HIS 70 11.383 15.050 14.206 564 HE2 HIS 70 2HE HIS 70 12.912 16.754 13.162 565 H SER 71 H SER 71 14.562 11.554 10.719 566 HA SER 71 HA SER 71 12.833 9.643 12.042 567 HB2 SER 71 2HB SER 71 15.135 9.044 11.224 568 HB3 SER 71 1HB SER 71 15.801 10.120 12.452 569 HG SER 71 HG SER 71 15.777 8.263 13.516 570 H GLU 72 H GLU 72 12.199 9.718 14.156 571 HA GLU 72 HA GLU 72 12.663 12.276 15.494 572 HB2 GLU 72 2HB GLU 72 10.326 11.355 15.108 573 HB3 GLU 72 1HB GLU 72 10.707 10.135 16.317 574 HG2 GLU 72 2HG GLU 72 9.462 11.987 17.279 575 HG3 GLU 72 1HG GLU 72 11.078 11.864 17.976 576 H GLY 73 H GLY 73 13.772 12.471 17.335 577 HA2 GLY 73 2HA GLY 73 14.106 10.892 19.464 578 HA3 GLY 73 1HA GLY 73 15.206 10.142 18.315 579 H GLY 74 H GLY 74 16.574 10.887 20.324 580 HA2 GLY 74 2HA GLY 74 18.019 13.244 19.412 581 HA3 GLY 74 1HA GLY 74 17.317 13.357 21.021 Start of MODEL 13 1 H1 VAL 1 1HT VAL 1 9.846 -2.896 5.113 2 H2 VAL 1 2HT VAL 1 9.314 -2.032 3.754 3 H3 VAL 1 3HT VAL 1 8.414 -3.354 4.329 4 HA VAL 1 HA VAL 1 8.879 -0.819 5.788 5 HB VAL 1 HB VAL 1 7.360 -0.553 3.857 6 HG11 VAL 1 2HG1 VAL 1 5.690 -2.664 5.208 7 HG12 VAL 1 3HG1 VAL 1 6.530 -2.820 3.664 8 HG13 VAL 1 1HG1 VAL 1 5.188 -1.685 3.829 9 HG21 VAL 1 1HG2 VAL 1 5.448 0.392 5.072 10 HG22 VAL 1 2HG2 VAL 1 6.985 0.809 5.830 11 HG23 VAL 1 3HG2 VAL 1 5.969 -0.451 6.531 12 H ASP 2 H ASP 2 8.043 -0.689 7.801 13 HA ASP 2 HA ASP 2 7.832 -3.192 9.197 14 HB2 ASP 2 2HB ASP 2 7.726 -0.316 10.114 15 HB3 ASP 2 1HB ASP 2 7.620 -1.690 11.200 16 H MET 3 H MET 3 6.045 -4.129 9.967 17 HA MET 3 HA MET 3 3.483 -3.052 9.123 18 HB2 MET 3 2HB MET 3 4.245 -5.687 10.393 19 HB3 MET 3 1HB MET 3 2.610 -5.258 9.919 20 HG2 MET 3 2HG MET 3 4.919 -5.346 7.995 21 HG3 MET 3 1HG MET 3 3.869 -6.722 8.321 22 HE1 MET 3 3HE MET 3 3.167 -2.800 7.746 23 HE2 MET 3 1HE MET 3 2.690 -2.882 6.049 24 HE3 MET 3 2HE MET 3 4.328 -3.332 6.526 25 H SER 4 H SER 4 5.151 -2.015 11.439 26 HA SER 4 HA SER 4 3.376 -2.420 13.702 27 HB2 SER 4 2HB SER 4 5.855 -2.248 13.985 28 HB3 SER 4 1HB SER 4 5.770 -0.584 13.415 29 HG SER 4 HG SER 4 4.006 -1.063 15.434 30 H ASN 5 H ASN 5 3.454 -0.526 10.971 31 HA ASN 5 HA ASN 5 2.128 1.751 12.291 32 HB2 ASN 5 2HB ASN 5 3.256 1.639 9.487 33 HB3 ASN 5 1HB ASN 5 2.693 3.068 10.344 34 HD21 ASN 5 1HD2 ASN 5 3.963 3.928 12.005 35 HD22 ASN 5 2HD2 ASN 5 5.640 3.529 12.168 36 H VAL 6 H VAL 6 1.423 -1.010 10.575 37 HA VAL 6 HA VAL 6 -0.680 0.171 8.945 38 HB VAL 6 HB VAL 6 0.799 -1.491 7.908 39 HG11 VAL 6 1HG1 VAL 6 0.639 -3.858 8.536 40 HG12 VAL 6 2HG1 VAL 6 -0.369 -3.413 9.914 41 HG13 VAL 6 3HG1 VAL 6 1.303 -2.859 9.830 42 HG21 VAL 6 3HG2 VAL 6 -0.924 -2.913 6.909 43 HG22 VAL 6 1HG2 VAL 6 -1.464 -1.240 7.050 44 HG23 VAL 6 2HG2 VAL 6 -2.047 -2.453 8.190 45 H VAL 7 H VAL 7 -2.846 -0.229 9.178 46 HA VAL 7 HA VAL 7 -3.658 -1.762 11.559 47 HB VAL 7 HB VAL 7 -5.835 -0.443 11.370 48 HG11 VAL 7 1HG1 VAL 7 -4.933 1.446 12.619 49 HG12 VAL 7 2HG1 VAL 7 -3.305 1.014 12.091 50 HG13 VAL 7 3HG1 VAL 7 -4.215 -0.080 13.133 51 HG21 VAL 7 3HG2 VAL 7 -5.521 0.473 9.138 52 HG22 VAL 7 1HG2 VAL 7 -4.084 1.339 9.676 53 HG23 VAL 7 2HG2 VAL 7 -5.669 1.774 10.320 54 H LYS 8 H LYS 8 -4.450 -0.995 8.201 55 HA LYS 8 HA LYS 8 -6.089 -3.437 8.135 56 HB2 LYS 8 2HB LYS 8 -7.472 -1.397 8.035 57 HB3 LYS 8 1HB LYS 8 -6.591 -0.882 6.595 58 HG2 LYS 8 2HG LYS 8 -8.615 -1.835 5.848 59 HG3 LYS 8 1HG LYS 8 -7.346 -3.013 5.506 60 HD2 LYS 8 2HD LYS 8 -8.992 -4.339 6.440 61 HD3 LYS 8 1HD LYS 8 -7.972 -3.962 7.831 62 HE2 LYS 8 2HE LYS 8 -9.487 -2.176 8.479 63 HE3 LYS 8 1HE LYS 8 -10.493 -2.512 7.073 64 HZ1 LYS 8 3HZ LYS 8 -11.458 -3.535 8.990 65 HZ2 LYS 8 1HZ LYS 8 -10.005 -4.325 9.374 66 HZ3 LYS 8 2HZ LYS 8 -10.865 -4.762 7.981 67 H THR 9 H THR 9 -5.470 -4.885 6.766 68 HA THR 9 HA THR 9 -3.898 -4.032 4.434 69 HB THR 9 HB THR 9 -3.577 -6.603 5.994 70 HG1 THR 9 1HG THR 9 -2.331 -5.313 7.142 71 HG21 THR 9 3HG2 THR 9 -2.077 -5.577 3.579 72 HG22 THR 9 1HG2 THR 9 -3.205 -6.936 3.597 73 HG23 THR 9 2HG2 THR 9 -1.684 -7.038 4.486 74 H TYR 10 H TYR 10 -5.211 -4.188 2.738 75 HA TYR 10 HA TYR 10 -7.291 -6.217 2.677 76 HB2 TYR 10 2HB TYR 10 -6.561 -4.273 0.475 77 HB3 TYR 10 1HB TYR 10 -8.050 -5.192 0.630 78 HD1 TYR 10 2HD TYR 10 -9.636 -4.581 2.540 79 HD2 TYR 10 1HD TYR 10 -6.351 -2.149 1.377 80 HE1 TYR 10 2HE TYR 10 -10.688 -2.642 3.634 81 HE2 TYR 10 1HE TYR 10 -7.383 -0.206 2.453 82 HH TYR 10 HH TYR 10 -9.501 0.586 3.192 83 H ASP 11 H ASP 11 -6.909 -8.172 1.895 84 HA ASP 11 HA ASP 11 -4.466 -8.746 0.507 85 HB2 ASP 11 2HB ASP 11 -6.536 -10.256 1.841 86 HB3 ASP 11 1HB ASP 11 -6.177 -10.953 0.268 87 H LEU 12 H LEU 12 -4.173 -8.483 -1.584 88 HA LEU 12 HA LEU 12 -6.463 -7.955 -3.267 89 HB2 LEU 12 2HB LEU 12 -3.498 -7.633 -3.572 90 HB3 LEU 12 1HB LEU 12 -4.556 -7.542 -4.975 91 HG LEU 12 HG LEU 12 -4.382 -5.326 -4.439 92 HD11 LEU 12 1HD1 LEU 12 -6.396 -4.581 -3.283 93 HD12 LEU 12 2HD1 LEU 12 -6.656 -6.217 -2.677 94 HD13 LEU 12 3HD1 LEU 12 -6.742 -5.893 -4.410 95 HD21 LEU 12 3HD2 LEU 12 -2.962 -5.604 -2.504 96 HD22 LEU 12 1HD2 LEU 12 -4.351 -6.077 -1.528 97 HD23 LEU 12 2HD2 LEU 12 -4.241 -4.437 -2.165 98 H GLN 13 H GLN 13 -7.248 -9.230 -4.784 99 HA GLN 13 HA GLN 13 -6.407 -11.965 -4.917 100 HB2 GLN 13 2HB GLN 13 -8.460 -10.382 -6.459 101 HB3 GLN 13 1HB GLN 13 -8.187 -12.099 -6.693 102 HG2 GLN 13 2HG GLN 13 -8.786 -12.512 -4.358 103 HG3 GLN 13 1HG GLN 13 -9.057 -10.787 -4.129 104 HE21 GLN 13 1HE2 GLN 13 -10.235 -10.469 -6.783 105 HE22 GLN 13 2HE2 GLN 13 -11.822 -11.146 -6.690 106 H ASP 14 H ASP 14 -5.504 -9.136 -6.484 107 HA ASP 14 HA ASP 14 -4.618 -10.348 -8.941 108 HB2 ASP 14 2HB ASP 14 -3.553 -8.115 -9.343 109 HB3 ASP 14 1HB ASP 14 -5.288 -8.045 -9.049 110 H GLY 15 H GLY 15 -3.551 -10.653 -5.897 111 HA2 GLY 15 2HA GLY 15 -1.689 -12.062 -5.462 112 HA3 GLY 15 1HA GLY 15 -0.905 -11.427 -6.899 113 H SER 16 H SER 16 -2.230 -8.897 -5.223 114 HA SER 16 HA SER 16 0.373 -8.301 -4.020 115 HB2 SER 16 2HB SER 16 -1.837 -6.357 -4.693 116 HB3 SER 16 1HB SER 16 -0.154 -5.989 -4.323 117 HG SER 16 HG SER 16 -1.320 -6.855 -6.676 118 H LYS 17 H LYS 17 0.109 -6.643 -2.167 119 HA LYS 17 HA LYS 17 -2.311 -7.044 -0.574 120 HB2 LYS 17 2HB LYS 17 0.504 -7.604 0.305 121 HB3 LYS 17 1HB LYS 17 -0.693 -7.062 1.463 122 HG2 LYS 17 2HG LYS 17 -2.037 -9.020 1.066 123 HG3 LYS 17 1HG LYS 17 -0.953 -9.539 -0.230 124 HD2 LYS 17 2HD LYS 17 0.893 -9.654 1.433 125 HD3 LYS 17 1HD LYS 17 -0.269 -9.269 2.701 126 HE2 LYS 17 2HE LYS 17 -0.726 -11.603 0.885 127 HE3 LYS 17 1HE LYS 17 0.376 -11.741 2.253 128 HZ1 LYS 17 3HZ LYS 17 -1.859 -12.474 2.812 129 HZ2 LYS 17 1HZ LYS 17 -2.485 -10.946 2.430 130 HZ3 LYS 17 2HZ LYS 17 -1.414 -11.123 3.735 131 H VAL 18 H VAL 18 -3.007 -5.095 0.130 132 HA VAL 18 HA VAL 18 -1.081 -2.887 -0.044 133 HB VAL 18 HB VAL 18 -3.077 -2.594 -1.426 134 HG11 VAL 18 1HG1 VAL 18 -5.281 -2.254 -0.431 135 HG12 VAL 18 2HG1 VAL 18 -4.633 -2.714 1.143 136 HG13 VAL 18 3HG1 VAL 18 -4.680 -3.890 -0.171 137 HG21 VAL 18 3HG2 VAL 18 -2.845 -0.739 0.926 138 HG22 VAL 18 1HG2 VAL 18 -3.806 -0.384 -0.512 139 HG23 VAL 18 2HG2 VAL 18 -2.056 -0.604 -0.654 140 H HIS 19 H HIS 19 -0.274 -2.174 1.806 141 HA HIS 19 HA HIS 19 -1.655 -2.948 4.276 142 HB2 HIS 19 2HB HIS 19 1.070 -1.698 4.269 143 HB3 HIS 19 1HB HIS 19 0.389 -2.864 5.392 144 HD1 HIS 19 1HD HIS 19 0.029 -5.382 4.158 145 HD2 HIS 19 2HD HIS 19 2.902 -2.772 2.665 146 HE1 HIS 19 1HE HIS 19 1.542 -6.813 2.728 147 HE2 HIS 19 2HE HIS 19 3.429 -5.239 2.064 148 H VAL 20 H VAL 20 -3.144 -1.430 4.656 149 HA VAL 20 HA VAL 20 -2.558 1.382 4.175 150 HB VAL 20 HB VAL 20 -5.111 0.269 5.333 151 HG11 VAL 20 1HG1 VAL 20 -6.098 2.233 4.261 152 HG12 VAL 20 2HG1 VAL 20 -4.508 2.702 3.657 153 HG13 VAL 20 3HG1 VAL 20 -4.826 2.692 5.394 154 HG21 VAL 20 3HG2 VAL 20 -4.406 0.520 2.410 155 HG22 VAL 20 1HG2 VAL 20 -5.980 0.063 3.064 156 HG23 VAL 20 2HG2 VAL 20 -4.589 -0.992 3.298 157 H PHE 21 H PHE 21 -1.676 2.555 5.685 158 HA PHE 21 HA PHE 21 -1.306 1.408 8.312 159 HB2 PHE 21 2HB PHE 21 -0.214 3.999 7.209 160 HB3 PHE 21 1HB PHE 21 0.377 3.102 8.600 161 HD1 PHE 21 2HD PHE 21 1.264 0.689 8.139 162 HD2 PHE 21 1HD PHE 21 0.733 3.652 5.127 163 HE1 PHE 21 2HE PHE 21 2.840 -0.504 6.690 164 HE2 PHE 21 1HE PHE 21 2.313 2.460 3.675 165 HZ PHE 21 HZ PHE 21 3.369 0.381 4.455 166 H LYS 22 H LYS 22 -1.259 3.170 10.151 167 HA LYS 22 HA LYS 22 -3.925 3.646 10.783 168 HB2 LYS 22 2HB LYS 22 -1.545 5.067 11.971 169 HB3 LYS 22 1HB LYS 22 -3.116 4.833 12.725 170 HG2 LYS 22 2HG LYS 22 -2.701 2.375 12.641 171 HG3 LYS 22 1HG LYS 22 -1.063 2.731 12.089 172 HD2 LYS 22 2HD LYS 22 -0.742 4.096 14.152 173 HD3 LYS 22 1HD LYS 22 -2.318 3.535 14.708 174 HE2 LYS 22 2HE LYS 22 -1.462 1.187 14.470 175 HE3 LYS 22 1HE LYS 22 0.137 1.871 14.169 176 HZ1 LYS 22 3HZ LYS 22 -1.491 2.227 16.626 177 HZ2 LYS 22 1HZ LYS 22 0.014 2.955 16.345 178 HZ3 LYS 22 2HZ LYS 22 -0.100 1.269 16.478 179 H ASP 23 H ASP 23 -1.659 5.679 9.135 180 HA ASP 23 HA ASP 23 -2.821 8.193 9.554 181 HB2 ASP 23 2HB ASP 23 -1.183 7.121 7.257 182 HB3 ASP 23 1HB ASP 23 -1.645 8.811 7.412 183 H GLY 24 H GLY 24 -3.913 5.553 7.664 184 HA2 GLY 24 2HA GLY 24 -5.967 5.518 6.470 185 HA3 GLY 24 1HA GLY 24 -5.883 7.273 6.326 186 H LYS 25 H LYS 25 -2.898 6.589 5.769 187 HA LYS 25 HA LYS 25 -3.136 6.415 2.890 188 HB2 LYS 25 2HB LYS 25 -0.866 6.926 4.791 189 HB3 LYS 25 1HB LYS 25 -0.559 6.518 3.107 190 HG2 LYS 25 2HG LYS 25 -2.138 8.878 4.115 191 HG3 LYS 25 1HG LYS 25 -0.525 8.911 3.390 192 HD2 LYS 25 2HD LYS 25 -1.771 7.645 1.439 193 HD3 LYS 25 1HD LYS 25 -3.175 8.465 2.120 194 HE2 LYS 25 2HE LYS 25 -2.260 10.589 1.711 195 HE3 LYS 25 1HE LYS 25 -0.647 9.928 1.426 196 HZ1 LYS 25 3HZ LYS 25 -1.455 8.865 -0.573 197 HZ2 LYS 25 1HZ LYS 25 -1.744 10.538 -0.641 198 HZ3 LYS 25 2HZ LYS 25 -3.017 9.476 -0.302 199 H MET 26 H MET 26 -1.532 4.934 1.778 200 HA MET 26 HA MET 26 -1.818 2.287 3.054 201 HB2 MET 26 2HB MET 26 -1.754 2.792 0.084 202 HB3 MET 26 1HB MET 26 -2.239 1.327 0.924 203 HG2 MET 26 2HG MET 26 -4.220 2.452 1.760 204 HG3 MET 26 1HG MET 26 -3.722 3.938 0.940 205 HE1 MET 26 3HE MET 26 -5.854 4.245 -0.467 206 HE2 MET 26 1HE MET 26 -6.564 2.897 0.420 207 HE3 MET 26 2HE MET 26 -6.666 2.950 -1.345 208 H GLY 27 H GLY 27 -0.406 0.681 1.846 209 HA2 GLY 27 2HA GLY 27 2.071 1.825 0.805 210 HA3 GLY 27 1HA GLY 27 2.158 0.630 2.094 211 H MET 28 H MET 28 1.804 1.153 -1.230 212 HA MET 28 HA MET 28 0.536 -1.352 -1.801 213 HB2 MET 28 2HB MET 28 0.177 0.613 -3.215 214 HB3 MET 28 1HB MET 28 1.882 0.619 -3.646 215 HG2 MET 28 2HG MET 28 1.064 -0.469 -5.433 216 HG3 MET 28 1HG MET 28 1.348 -1.835 -4.364 217 HE1 MET 28 3HE MET 28 -0.876 -2.606 -2.622 218 HE2 MET 28 1HE MET 28 -2.515 -2.080 -3.004 219 HE3 MET 28 2HE MET 28 -1.335 -0.914 -2.401 220 H GLU 29 H GLU 29 1.526 -3.196 -1.688 221 HA GLU 29 HA GLU 29 4.280 -3.498 -2.651 222 HB2 GLU 29 2HB GLU 29 4.042 -3.112 -0.073 223 HB3 GLU 29 1HB GLU 29 3.340 -4.710 -0.046 224 HG2 GLU 29 2HG GLU 29 5.388 -5.676 -0.806 225 HG3 GLU 29 1HG GLU 29 6.099 -4.078 -1.050 226 H ASN 30 H ASN 30 4.704 -5.839 -3.162 227 HA ASN 30 HA ASN 30 2.292 -7.169 -3.977 228 HB2 ASN 30 2HB ASN 30 3.606 -8.830 -4.972 229 HB3 ASN 30 1HB ASN 30 4.607 -7.399 -5.113 230 HD21 ASN 30 1HD2 ASN 30 5.367 -10.184 -5.180 231 HD22 ASN 30 2HD2 ASN 30 6.504 -10.410 -3.897 232 H LYS 31 H LYS 31 2.089 -9.610 -3.225 233 HA LYS 31 HA LYS 31 1.310 -9.213 -0.523 234 HB2 LYS 31 2HB LYS 31 0.144 -11.222 -0.688 235 HB3 LYS 31 1HB LYS 31 0.109 -10.558 -2.311 236 HG2 LYS 31 2HG LYS 31 0.624 -12.689 -2.826 237 HG3 LYS 31 1HG LYS 31 2.263 -12.101 -2.548 238 HD2 LYS 31 2HD LYS 31 2.488 -13.225 -0.601 239 HD3 LYS 31 1HD LYS 31 0.782 -13.058 -0.179 240 HE2 LYS 31 2HE LYS 31 1.971 -14.964 -2.195 241 HE3 LYS 31 1HE LYS 31 1.327 -15.388 -0.610 242 HZ1 LYS 31 3HZ LYS 31 -0.246 -15.865 -2.384 243 HZ2 LYS 31 1HZ LYS 31 -0.242 -14.239 -2.864 244 HZ3 LYS 31 2HZ LYS 31 -0.862 -14.675 -1.345 245 H PHE 32 H PHE 32 4.217 -10.223 -1.836 246 HA PHE 32 HA PHE 32 4.955 -11.890 0.436 247 HB2 PHE 32 2HB PHE 32 6.485 -11.154 -2.064 248 HB3 PHE 32 1HB PHE 32 7.083 -12.224 -0.800 249 HD1 PHE 32 2HD PHE 32 5.980 -14.402 -0.394 250 HD2 PHE 32 1HD PHE 32 4.909 -11.905 -3.667 251 HE1 PHE 32 2HE PHE 32 4.899 -16.318 -1.501 252 HE2 PHE 32 1HE PHE 32 3.832 -13.813 -4.777 253 HZ PHE 32 HZ PHE 32 3.723 -16.001 -3.612 254 H GLY 33 H GLY 33 5.040 -8.604 -0.332 255 HA2 GLY 33 2HA GLY 33 5.926 -6.884 0.963 256 HA3 GLY 33 1HA GLY 33 6.810 -8.086 1.904 257 H LYS 34 H LYS 34 6.888 -7.832 -1.576 258 HA LYS 34 HA LYS 34 9.698 -6.960 -1.425 259 HB2 LYS 34 2HB LYS 34 8.879 -9.250 -2.525 260 HB3 LYS 34 1HB LYS 34 8.566 -8.198 -3.896 261 HG2 LYS 34 2HG LYS 34 10.688 -8.878 -4.366 262 HG3 LYS 34 1HG LYS 34 11.021 -7.401 -3.461 263 HD2 LYS 34 2HD LYS 34 11.077 -10.219 -2.379 264 HD3 LYS 34 1HD LYS 34 12.476 -9.203 -2.716 265 HE2 LYS 34 2HE LYS 34 11.621 -7.590 -1.014 266 HE3 LYS 34 1HE LYS 34 10.350 -8.752 -0.626 267 HZ1 LYS 34 3HZ LYS 34 12.166 -10.371 -0.134 268 HZ2 LYS 34 1HZ LYS 34 12.093 -9.050 0.927 269 HZ3 LYS 34 2HZ LYS 34 13.276 -9.098 -0.286 270 H SER 35 H SER 35 10.389 -5.625 -3.337 271 HA SER 35 HA SER 35 8.900 -3.275 -3.422 272 HB2 SER 35 2HB SER 35 11.339 -3.397 -3.830 273 HB3 SER 35 1HB SER 35 11.031 -4.193 -5.372 274 HG SER 35 HG SER 35 11.353 -1.980 -5.704 275 H MET 36 H MET 36 6.915 -3.139 -4.247 276 HA MET 36 HA MET 36 6.539 -4.056 -7.012 277 HB2 MET 36 2HB MET 36 5.182 -5.340 -5.349 278 HB3 MET 36 1HB MET 36 4.397 -3.836 -4.879 279 HG2 MET 36 2HG MET 36 4.352 -4.464 -7.743 280 HG3 MET 36 1HG MET 36 3.430 -5.551 -6.712 281 HE1 MET 36 3HE MET 36 1.121 -5.018 -5.752 282 HE2 MET 36 1HE MET 36 0.646 -3.392 -5.257 283 HE3 MET 36 2HE MET 36 2.074 -4.149 -4.550 284 H ASN 37 H ASN 37 5.582 -2.640 -8.424 285 HA ASN 37 HA ASN 37 5.637 0.140 -7.454 286 HB2 ASN 37 2HB ASN 37 6.355 -0.939 -10.192 287 HB3 ASN 37 1HB ASN 37 6.421 0.754 -9.706 288 HD21 ASN 37 1HD2 ASN 37 7.805 -2.421 -9.180 289 HD22 ASN 37 2HD2 ASN 37 9.285 -1.874 -8.485 290 H MET 38 H MET 38 3.772 1.180 -7.513 291 HA MET 38 HA MET 38 2.031 0.732 -9.814 292 HB2 MET 38 2HB MET 38 0.873 -0.542 -8.217 293 HB3 MET 38 1HB MET 38 1.152 0.636 -6.937 294 HG2 MET 38 2HG MET 38 -0.465 2.072 -7.724 295 HG3 MET 38 1HG MET 38 -0.397 1.430 -9.359 296 HE1 MET 38 3HE MET 38 -2.071 -2.177 -8.358 297 HE2 MET 38 1HE MET 38 -0.392 -1.745 -8.032 298 HE3 MET 38 2HE MET 38 -1.104 -1.396 -9.610 299 HA PRO 39 HA PRO 39 1.946 5.192 -9.604 300 HB2 PRO 39 2HB PRO 39 0.834 5.148 -12.237 301 HB3 PRO 39 1HB PRO 39 2.495 5.524 -11.775 302 HG2 PRO 39 2HG PRO 39 1.731 3.304 -13.232 303 HG3 PRO 39 1HG PRO 39 3.234 3.439 -12.306 304 HD2 PRO 39 2HD PRO 39 0.662 2.113 -11.562 305 HD3 PRO 39 1HD PRO 39 2.335 1.579 -11.273 306 H GLU 40 H GLU 40 -0.118 6.371 -11.213 307 HA GLU 40 HA GLU 40 -2.277 5.935 -9.305 308 HB2 GLU 40 2HB GLU 40 -3.162 8.052 -10.051 309 HB3 GLU 40 1HB GLU 40 -1.443 8.236 -9.745 310 HG2 GLU 40 2HG GLU 40 -2.585 7.789 -12.491 311 HG3 GLU 40 1HG GLU 40 -2.343 9.385 -11.791 312 H GLY 41 H GLY 41 -4.456 5.747 -9.916 313 HA2 GLY 41 2HA GLY 41 -6.270 5.425 -11.326 314 HA3 GLY 41 1HA GLY 41 -5.187 5.470 -12.701 315 H LYS 42 H LYS 42 -4.001 3.335 -10.452 316 HA LYS 42 HA LYS 42 -4.812 1.087 -12.095 317 HB2 LYS 42 2HB LYS 42 -2.985 1.134 -9.692 318 HB3 LYS 42 1HB LYS 42 -3.151 -0.172 -10.857 319 HG2 LYS 42 2HG LYS 42 -2.198 2.582 -11.585 320 HG3 LYS 42 1HG LYS 42 -1.118 1.270 -11.109 321 HD2 LYS 42 2HD LYS 42 -1.800 -0.058 -12.977 322 HD3 LYS 42 1HD LYS 42 -3.081 1.088 -13.388 323 HE2 LYS 42 2HE LYS 42 -0.149 1.776 -13.371 324 HE3 LYS 42 1HE LYS 42 -1.025 1.251 -14.812 325 HZ1 LYS 42 3HZ LYS 42 -0.860 3.679 -14.649 326 HZ2 LYS 42 1HZ LYS 42 -1.711 3.646 -13.187 327 HZ3 LYS 42 2HZ LYS 42 -2.471 3.157 -14.617 328 H VAL 43 H VAL 43 -5.861 -0.769 -11.285 329 HA VAL 43 HA VAL 43 -7.589 -0.155 -8.980 330 HB VAL 43 HB VAL 43 -8.135 -1.966 -11.335 331 HG11 VAL 43 1HG1 VAL 43 -10.409 -2.095 -10.455 332 HG12 VAL 43 2HG1 VAL 43 -9.929 -1.124 -9.064 333 HG13 VAL 43 3HG1 VAL 43 -9.237 -2.730 -9.299 334 HG21 VAL 43 3HG2 VAL 43 -9.766 -0.274 -12.009 335 HG22 VAL 43 1HG2 VAL 43 -8.137 0.398 -11.962 336 HG23 VAL 43 2HG2 VAL 43 -9.272 0.747 -10.659 337 H MET 44 H MET 44 -7.122 -1.261 -7.206 338 HA MET 44 HA MET 44 -6.083 -3.996 -7.426 339 HB2 MET 44 2HB MET 44 -6.498 -2.255 -4.988 340 HB3 MET 44 1HB MET 44 -5.814 -3.873 -4.974 341 HG2 MET 44 2HG MET 44 -3.854 -2.838 -5.067 342 HG3 MET 44 1HG MET 44 -4.216 -2.611 -6.777 343 HE1 MET 44 3HE MET 44 -5.110 0.603 -3.592 344 HE2 MET 44 1HE MET 44 -4.393 -0.960 -3.195 345 HE3 MET 44 2HE MET 44 -6.057 -0.874 -3.773 346 H GLU 45 H GLU 45 -7.236 -5.767 -6.616 347 HA GLU 45 HA GLU 45 -10.058 -5.183 -5.991 348 HB2 GLU 45 2HB GLU 45 -9.541 -6.206 -8.280 349 HB3 GLU 45 1HB GLU 45 -9.123 -7.669 -7.401 350 HG2 GLU 45 2HG GLU 45 -11.319 -7.974 -6.643 351 HG3 GLU 45 1HG GLU 45 -11.788 -6.332 -7.084 352 H THR 46 H THR 46 -10.474 -5.642 -3.970 353 HA THR 46 HA THR 46 -8.748 -7.223 -2.354 354 HB THR 46 HB THR 46 -10.290 -6.749 -0.536 355 HG1 THR 46 1HG THR 46 -12.221 -5.558 -1.017 356 HG21 THR 46 3HG2 THR 46 -9.895 -4.373 -2.351 357 HG22 THR 46 1HG2 THR 46 -8.729 -4.992 -1.182 358 HG23 THR 46 2HG2 THR 46 -10.253 -4.298 -0.625 359 H ARG 47 H ARG 47 -9.960 -8.791 -0.715 360 HA ARG 47 HA ARG 47 -10.750 -11.074 -2.230 361 HB2 ARG 47 2HB ARG 47 -10.973 -10.604 0.750 362 HB3 ARG 47 1HB ARG 47 -11.058 -12.161 -0.059 363 HG2 ARG 47 2HG ARG 47 -8.639 -10.370 -0.079 364 HG3 ARG 47 1HG ARG 47 -8.892 -11.692 1.058 365 HD2 ARG 47 2HD ARG 47 -8.996 -13.268 -0.833 366 HD3 ARG 47 1HD ARG 47 -8.692 -11.932 -1.943 367 HE ARG 47 HE ARG 47 -6.611 -11.752 -0.272 368 HH11 ARG 47 1HH1 ARG 47 -7.928 -14.488 -2.011 369 HH12 ARG 47 2HH1 ARG 47 -6.402 -15.307 -2.118 370 HH21 ARG 47 1HH2 ARG 47 -4.607 -12.816 -0.384 371 HH22 ARG 47 2HH2 ARG 47 -4.500 -14.354 -1.190 372 H ASP 48 H ASP 48 -12.411 -8.407 -0.870 373 HA ASP 48 HA ASP 48 -14.996 -9.688 -0.698 374 HB2 ASP 48 2HB ASP 48 -14.325 -6.733 -0.701 375 HB3 ASP 48 1HB ASP 48 -15.852 -7.456 -0.210 376 H GLY 49 H GLY 49 -13.077 -8.746 -3.208 377 HA2 GLY 49 2HA GLY 49 -13.506 -8.384 -5.450 378 HA3 GLY 49 1HA GLY 49 -15.227 -8.554 -5.108 379 H THR 50 H THR 50 -12.931 -6.364 -3.611 380 HA THR 50 HA THR 50 -14.630 -4.112 -4.445 381 HB THR 50 HB THR 50 -12.634 -4.205 -2.169 382 HG1 THR 50 1HG THR 50 -14.695 -5.594 -2.143 383 HG21 THR 50 3HG2 THR 50 -13.140 -1.948 -3.003 384 HG22 THR 50 1HG2 THR 50 -13.822 -2.192 -1.395 385 HG23 THR 50 2HG2 THR 50 -14.866 -2.259 -2.815 386 H LYS 51 H LYS 51 -13.827 -2.588 -5.707 387 HA LYS 51 HA LYS 51 -11.056 -2.819 -6.543 388 HB2 LYS 51 2HB LYS 51 -13.431 -1.337 -7.653 389 HB3 LYS 51 1HB LYS 51 -11.813 -1.210 -8.305 390 HG2 LYS 51 2HG LYS 51 -11.874 -3.728 -8.585 391 HG3 LYS 51 1HG LYS 51 -13.605 -3.606 -8.252 392 HD2 LYS 51 2HD LYS 51 -13.839 -2.047 -10.134 393 HD3 LYS 51 1HD LYS 51 -12.112 -2.204 -10.471 394 HE2 LYS 51 2HE LYS 51 -12.413 -4.590 -10.897 395 HE3 LYS 51 1HE LYS 51 -14.135 -4.444 -10.543 396 HZ1 LYS 51 3HZ LYS 51 -12.663 -3.184 -12.789 397 HZ2 LYS 51 1HZ LYS 51 -14.276 -2.839 -12.398 398 HZ3 LYS 51 2HZ LYS 51 -13.845 -4.394 -12.894 399 H ILE 52 H ILE 52 -9.605 -1.613 -5.629 400 HA ILE 52 HA ILE 52 -10.399 1.006 -4.543 401 HB ILE 52 HB ILE 52 -8.072 -0.740 -3.695 402 HG12 ILE 52 2HG1 ILE 52 -10.686 -0.166 -2.286 403 HG13 ILE 52 1HG1 ILE 52 -10.293 -1.668 -3.113 404 HG21 ILE 52 1HG2 ILE 52 -7.566 1.591 -3.325 405 HG22 ILE 52 2HG2 ILE 52 -7.944 0.839 -1.772 406 HG23 ILE 52 3HG2 ILE 52 -9.143 1.852 -2.579 407 HD11 ILE 52 3HD1 ILE 52 -8.472 -2.050 -1.537 408 HD12 ILE 52 1HD1 ILE 52 -10.030 -1.898 -0.727 409 HD13 ILE 52 2HD1 ILE 52 -8.889 -0.554 -0.703 410 H ILE 53 H ILE 53 -9.678 2.686 -5.657 411 HA ILE 53 HA ILE 53 -7.727 2.220 -7.770 412 HB ILE 53 HB ILE 53 -9.614 4.517 -7.248 413 HG12 ILE 53 2HG1 ILE 53 -10.402 3.810 -9.589 414 HG13 ILE 53 1HG1 ILE 53 -9.454 2.350 -9.341 415 HG21 ILE 53 1HG2 ILE 53 -7.546 4.282 -9.438 416 HG22 ILE 53 2HG2 ILE 53 -7.551 5.451 -8.116 417 HG23 ILE 53 3HG2 ILE 53 -8.807 5.513 -9.352 418 HD11 ILE 53 3HD1 ILE 53 -11.755 3.278 -7.646 419 HD12 ILE 53 1HD1 ILE 53 -10.798 1.822 -7.376 420 HD13 ILE 53 2HD1 ILE 53 -11.784 1.972 -8.832 421 H MET 54 H MET 54 -5.746 2.792 -7.684 422 HA MET 54 HA MET 54 -4.626 4.254 -5.473 423 HB2 MET 54 2HB MET 54 -3.667 2.333 -7.086 424 HB3 MET 54 1HB MET 54 -3.098 3.719 -7.976 425 HG2 MET 54 2HG MET 54 -1.289 3.332 -6.663 426 HG3 MET 54 1HG MET 54 -2.178 4.442 -5.621 427 HE1 MET 54 3HE MET 54 -0.645 3.557 -3.599 428 HE2 MET 54 1HE MET 54 0.154 2.383 -4.644 429 HE3 MET 54 2HE MET 54 -0.548 1.866 -3.109 430 H LYS 55 H LYS 55 -5.955 6.294 -5.991 431 HA LYS 55 HA LYS 55 -4.258 8.135 -7.380 432 HB2 LYS 55 2HB LYS 55 -5.366 7.249 -9.343 433 HB3 LYS 55 1HB LYS 55 -6.946 7.478 -8.606 434 HG2 LYS 55 2HG LYS 55 -6.664 9.879 -8.662 435 HG3 LYS 55 1HG LYS 55 -5.032 9.695 -9.305 436 HD2 LYS 55 2HD LYS 55 -5.870 8.779 -11.349 437 HD3 LYS 55 1HD LYS 55 -7.507 8.685 -10.696 438 HE2 LYS 55 2HE LYS 55 -7.239 10.598 -12.209 439 HE3 LYS 55 1HE LYS 55 -7.622 11.106 -10.567 440 HZ1 LYS 55 3HZ LYS 55 -4.979 11.205 -11.916 441 HZ2 LYS 55 1HZ LYS 55 -5.184 11.468 -10.250 442 HZ3 LYS 55 2HZ LYS 55 -5.918 12.508 -11.368 443 H GLY 56 H GLY 56 -4.512 10.166 -6.654 444 HA2 GLY 56 2HA GLY 56 -5.534 12.026 -5.735 445 HA3 GLY 56 1HA GLY 56 -7.041 11.122 -5.666 446 H ASN 57 H ASN 57 -6.726 9.129 -4.056 447 HA ASN 57 HA ASN 57 -6.211 10.436 -1.509 448 HB2 ASN 57 2HB ASN 57 -7.437 8.535 -0.517 449 HB3 ASN 57 1HB ASN 57 -8.380 9.311 -1.784 450 HD21 ASN 57 1HD2 ASN 57 -6.723 6.436 -0.795 451 HD22 ASN 57 2HD2 ASN 57 -7.227 5.450 -2.131 452 H GLU 58 H GLU 58 -4.767 8.222 -3.620 453 HA GLU 58 HA GLU 58 -2.562 7.938 -1.891 454 HB2 GLU 58 2HB GLU 58 -4.129 6.187 -0.983 455 HB3 GLU 58 1HB GLU 58 -3.979 5.357 -2.531 456 HG2 GLU 58 2HG GLU 58 -2.456 4.489 -0.779 457 HG3 GLU 58 1HG GLU 58 -1.624 5.070 -2.221 458 H ILE 59 H ILE 59 -1.179 8.490 -3.333 459 HA ILE 59 HA ILE 59 -1.163 7.359 -5.982 460 HB ILE 59 HB ILE 59 0.765 9.194 -4.580 461 HG12 ILE 59 2HG1 ILE 59 -1.377 10.212 -5.086 462 HG13 ILE 59 1HG1 ILE 59 -0.144 10.869 -6.157 463 HG21 ILE 59 1HG2 ILE 59 0.796 8.290 -7.463 464 HG22 ILE 59 2HG2 ILE 59 1.986 7.870 -6.230 465 HG23 ILE 59 3HG2 ILE 59 1.828 9.541 -6.768 466 HD11 ILE 59 3HD1 ILE 59 -2.243 10.435 -7.325 467 HD12 ILE 59 1HD1 ILE 59 -2.130 8.729 -6.889 468 HD13 ILE 59 2HD1 ILE 59 -0.926 9.447 -7.958 469 H PHE 60 H PHE 60 1.860 7.517 -4.075 470 HA PHE 60 HA PHE 60 2.148 4.646 -4.663 471 HB2 PHE 60 2HB PHE 60 3.791 6.484 -5.566 472 HB3 PHE 60 1HB PHE 60 4.486 6.378 -3.952 473 HD1 PHE 60 1HD PHE 60 5.365 4.197 -3.145 474 HD2 PHE 60 2HD PHE 60 4.239 4.840 -7.195 475 HE1 PHE 60 1HE PHE 60 6.682 2.234 -3.818 476 HE2 PHE 60 2HE PHE 60 5.555 2.876 -7.878 477 HZ PHE 60 HZ PHE 60 6.754 1.569 -6.244 478 H ARG 61 H ARG 61 3.546 6.885 -2.287 479 HA ARG 61 HA ARG 61 4.055 6.711 -0.099 480 HB2 ARG 61 2HB ARG 61 1.292 5.570 -0.209 481 HB3 ARG 61 1HB ARG 61 2.146 5.744 1.320 482 HG2 ARG 61 2HG ARG 61 1.586 7.970 -0.626 483 HG3 ARG 61 1HG ARG 61 0.682 7.649 0.855 484 HD2 ARG 61 2HD ARG 61 2.581 8.137 2.205 485 HD3 ARG 61 1HD ARG 61 3.641 8.189 0.799 486 HE ARG 61 HE ARG 61 1.818 10.130 0.281 487 HH11 ARG 61 1HH1 ARG 61 3.866 9.438 3.036 488 HH12 ARG 61 2HH1 ARG 61 4.082 11.105 3.458 489 HH21 ARG 61 1HH2 ARG 61 2.148 12.345 0.819 490 HH22 ARG 61 2HH2 ARG 61 3.121 12.743 2.208 491 H LEU 62 H LEU 62 4.983 4.418 -1.727 492 HA LEU 62 HA LEU 62 5.763 2.836 0.593 493 HB2 LEU 62 2HB LEU 62 3.809 1.827 -0.970 494 HB3 LEU 62 1HB LEU 62 5.208 1.254 -1.855 495 HG LEU 62 HG LEU 62 4.132 -0.288 -0.078 496 HD11 LEU 62 1HD1 LEU 62 6.270 -0.749 -1.194 497 HD12 LEU 62 2HD1 LEU 62 6.253 -1.283 0.486 498 HD13 LEU 62 3HD1 LEU 62 7.103 0.199 0.040 499 HD21 LEU 62 3HD2 LEU 62 5.741 1.532 1.704 500 HD22 LEU 62 1HD2 LEU 62 5.031 -0.011 2.181 501 HD23 LEU 62 2HD2 LEU 62 3.989 1.333 1.715 502 H ASP 63 H ASP 63 7.045 4.851 -0.792 503 HA ASP 63 HA ASP 63 8.802 4.000 -2.811 504 HB2 ASP 63 2HB ASP 63 8.921 6.258 -0.818 505 HB3 ASP 63 1HB ASP 63 10.189 5.998 -2.011 506 H GLU 64 H GLU 64 8.784 3.475 0.575 507 HA GLU 64 HA GLU 64 11.416 3.044 1.252 508 HB2 GLU 64 2HB GLU 64 9.507 2.870 2.797 509 HB3 GLU 64 1HB GLU 64 9.020 1.369 2.037 510 HG2 GLU 64 2HG GLU 64 11.718 1.650 3.299 511 HG3 GLU 64 1HG GLU 64 10.291 1.297 4.269 512 H ALA 65 H ALA 65 9.236 0.858 -0.484 513 HA ALA 65 HA ALA 65 10.901 -1.393 -0.493 514 HB1 ALA 65 1HB ALA 65 9.514 -2.207 -2.322 515 HB2 ALA 65 2HB ALA 65 8.849 -0.588 -2.550 516 HB3 ALA 65 3HB ALA 65 8.521 -1.474 -1.060 517 H LEU 66 H LEU 66 10.655 1.320 -2.713 518 HA LEU 66 HA LEU 66 12.453 0.242 -4.652 519 HB2 LEU 66 2HB LEU 66 11.241 2.962 -4.209 520 HB3 LEU 66 1HB LEU 66 12.422 2.676 -5.466 521 HG LEU 66 HG LEU 66 10.900 1.026 -6.505 522 HD11 LEU 66 1HD1 LEU 66 9.677 0.327 -4.506 523 HD12 LEU 66 2HD1 LEU 66 8.582 0.886 -5.771 524 HD13 LEU 66 3HD1 LEU 66 8.943 1.928 -4.395 525 HD21 LEU 66 3HD2 LEU 66 9.280 2.652 -7.338 526 HD22 LEU 66 1HD2 LEU 66 10.896 3.350 -7.236 527 HD23 LEU 66 2HD2 LEU 66 9.688 3.742 -6.013 528 H ARG 67 H ARG 67 12.710 2.424 -1.919 529 HA ARG 67 HA ARG 67 15.359 3.297 -2.600 530 HB2 ARG 67 2HB ARG 67 13.795 3.641 -0.037 531 HB3 ARG 67 1HB ARG 67 15.298 4.464 -0.430 532 HG2 ARG 67 2HG ARG 67 14.220 5.595 -2.292 533 HG3 ARG 67 1HG ARG 67 12.720 4.728 -1.966 534 HD2 ARG 67 2HD ARG 67 12.657 5.784 0.276 535 HD3 ARG 67 1HD ARG 67 14.080 6.725 -0.165 536 HE ARG 67 HE ARG 67 12.143 7.136 -2.139 537 HH11 ARG 67 1HH1 ARG 67 12.631 7.834 1.265 538 HH12 ARG 67 2HH1 ARG 67 11.615 9.249 1.247 539 HH21 ARG 67 1HH2 ARG 67 10.809 9.003 -2.149 540 HH22 ARG 67 2HH2 ARG 67 10.593 9.906 -0.682 541 H LYS 68 H LYS 68 14.215 1.687 0.357 542 HA LYS 68 HA LYS 68 15.113 0.119 1.712 543 HB2 LYS 68 2HB LYS 68 16.519 -0.577 -0.841 544 HB3 LYS 68 1HB LYS 68 16.960 -1.382 0.659 545 HG2 LYS 68 2HG LYS 68 14.153 -1.291 -0.411 546 HG3 LYS 68 1HG LYS 68 15.291 -2.600 -0.740 547 HD2 LYS 68 2HD LYS 68 15.448 -3.118 1.604 548 HD3 LYS 68 1HD LYS 68 14.469 -1.713 2.023 549 HE2 LYS 68 2HE LYS 68 13.526 -4.062 0.384 550 HE3 LYS 68 1HE LYS 68 13.197 -3.825 2.102 551 HZ1 LYS 68 3HZ LYS 68 11.332 -3.081 0.803 552 HZ2 LYS 68 1HZ LYS 68 12.325 -2.055 -0.111 553 HZ3 LYS 68 2HZ LYS 68 12.072 -1.741 1.537 554 H GLY 69 H GLY 69 17.670 1.748 -0.152 555 HA2 GLY 69 2HA GLY 69 19.396 3.056 0.724 556 HA3 GLY 69 1HA GLY 69 18.947 2.530 2.343 557 H HIS 70 H HIS 70 19.094 -0.083 2.340 558 HA HIS 70 HA HIS 70 21.696 -0.825 1.196 559 HB2 HIS 70 2HB HIS 70 22.427 -1.847 3.200 560 HB3 HIS 70 1HB HIS 70 21.789 -0.287 3.695 561 HD1 HIS 70 1HD HIS 70 21.708 -3.742 4.580 562 HD2 HIS 70 2HD HIS 70 18.972 -0.611 4.737 563 HE1 HIS 70 1HE HIS 70 19.897 -4.501 6.156 564 HE2 HIS 70 2HE HIS 70 18.421 -2.476 6.448 565 H SER 71 H SER 71 21.817 -2.911 0.401 566 HA SER 71 HA SER 71 19.239 -4.274 0.172 567 HB2 SER 71 2HB SER 71 21.804 -4.820 -1.340 568 HB3 SER 71 1HB SER 71 20.192 -5.418 -1.732 569 HG SER 71 HG SER 71 20.554 -3.664 -3.033 570 H GLU 72 H GLU 72 21.773 -4.345 2.172 571 HA GLU 72 HA GLU 72 22.666 -5.786 3.659 572 HB2 GLU 72 2HB GLU 72 20.221 -6.309 4.044 573 HB3 GLU 72 1HB GLU 72 20.419 -7.678 2.957 574 HG2 GLU 72 2HG GLU 72 20.567 -8.335 5.302 575 HG3 GLU 72 1HG GLU 72 22.067 -8.654 4.431 576 H GLY 73 H GLY 73 24.526 -6.128 2.494 577 HA2 GLY 73 2HA GLY 73 26.083 -7.715 1.723 578 HA3 GLY 73 1HA GLY 73 24.750 -8.754 1.235 579 H GLY 74 H GLY 74 24.157 -8.769 -0.841 580 HA2 GLY 74 2HA GLY 74 23.776 -7.786 -2.965 581 HA3 GLY 74 1HA GLY 74 24.901 -6.501 -2.545 Start of MODEL 14 1 H1 VAL 1 1HT VAL 1 8.723 -2.738 6.536 2 H2 VAL 1 2HT VAL 1 9.408 -1.430 7.367 3 H3 VAL 1 3HT VAL 1 8.693 -1.186 5.858 4 HA VAL 1 HA VAL 1 7.302 -0.415 7.687 5 HB VAL 1 HB VAL 1 6.101 -0.933 5.725 6 HG11 VAL 1 2HG1 VAL 1 6.375 -3.860 6.397 7 HG12 VAL 1 3HG1 VAL 1 7.219 -2.998 5.109 8 HG13 VAL 1 1HG1 VAL 1 5.468 -3.192 5.039 9 HG21 VAL 1 1HG2 VAL 1 4.009 -1.946 6.527 10 HG22 VAL 1 2HG2 VAL 1 4.659 -0.761 7.660 11 HG23 VAL 1 3HG2 VAL 1 4.845 -2.486 7.984 12 H ASP 2 H ASP 2 6.803 -0.667 9.762 13 HA ASP 2 HA ASP 2 7.574 -3.240 10.956 14 HB2 ASP 2 2HB ASP 2 7.353 -0.490 12.189 15 HB3 ASP 2 1HB ASP 2 7.813 -1.947 13.067 16 H MET 3 H MET 3 4.900 -1.981 9.904 17 HA MET 3 HA MET 3 2.697 -2.384 10.201 18 HB2 MET 3 2HB MET 3 3.728 -4.397 12.181 19 HB3 MET 3 1HB MET 3 2.027 -4.224 11.776 20 HG2 MET 3 2HG MET 3 2.830 -4.541 9.336 21 HG3 MET 3 1HG MET 3 4.279 -5.212 10.085 22 HE1 MET 3 3HE MET 3 0.412 -5.392 9.863 23 HE2 MET 3 1HE MET 3 0.629 -5.512 11.608 24 HE3 MET 3 2HE MET 3 0.034 -6.901 10.696 25 H SER 4 H SER 4 4.504 -0.845 12.399 26 HA SER 4 HA SER 4 2.769 -0.571 14.603 27 HB2 SER 4 2HB SER 4 4.768 1.444 13.560 28 HB3 SER 4 1HB SER 4 4.156 1.312 15.212 29 HG SER 4 HG SER 4 6.311 0.318 14.598 30 H ASN 5 H ASN 5 2.812 0.721 11.432 31 HA ASN 5 HA ASN 5 0.698 2.640 12.102 32 HB2 ASN 5 2HB ASN 5 2.511 2.439 9.693 33 HB3 ASN 5 1HB ASN 5 1.175 3.578 9.825 34 HD21 ASN 5 1HD2 ASN 5 4.194 3.777 9.694 35 HD22 ASN 5 2HD2 ASN 5 4.597 4.861 10.996 36 H VAL 6 H VAL 6 1.290 -0.371 10.572 37 HA VAL 6 HA VAL 6 -0.735 -0.317 8.591 38 HB VAL 6 HB VAL 6 0.443 -2.729 10.000 39 HG11 VAL 6 1HG1 VAL 6 -0.314 -3.993 8.053 40 HG12 VAL 6 2HG1 VAL 6 -1.061 -2.540 7.389 41 HG13 VAL 6 3HG1 VAL 6 -1.673 -3.242 8.888 42 HG21 VAL 6 3HG2 VAL 6 2.148 -1.385 8.893 43 HG22 VAL 6 1HG2 VAL 6 1.209 -1.402 7.400 44 HG23 VAL 6 2HG2 VAL 6 1.890 -2.903 8.031 45 H VAL 7 H VAL 7 -2.865 -0.534 8.738 46 HA VAL 7 HA VAL 7 -3.966 -1.542 11.279 47 HB VAL 7 HB VAL 7 -4.512 0.809 10.947 48 HG11 VAL 7 1HG1 VAL 7 -5.941 1.550 9.101 49 HG12 VAL 7 2HG1 VAL 7 -5.844 -0.059 8.384 50 HG13 VAL 7 3HG1 VAL 7 -4.393 0.931 8.526 51 HG21 VAL 7 3HG2 VAL 7 -6.937 0.680 11.184 52 HG22 VAL 7 1HG2 VAL 7 -6.137 -0.603 12.086 53 HG23 VAL 7 2HG2 VAL 7 -6.919 -0.965 10.548 54 H LYS 8 H LYS 8 -4.245 -1.624 7.759 55 HA LYS 8 HA LYS 8 -5.634 -4.174 7.953 56 HB2 LYS 8 2HB LYS 8 -7.454 -2.518 7.915 57 HB3 LYS 8 1HB LYS 8 -6.788 -1.823 6.446 58 HG2 LYS 8 2HG LYS 8 -8.640 -3.194 5.855 59 HG3 LYS 8 1HG LYS 8 -7.165 -3.983 5.301 60 HD2 LYS 8 2HD LYS 8 -7.227 -5.433 7.296 61 HD3 LYS 8 1HD LYS 8 -8.737 -4.661 7.785 62 HE2 LYS 8 2HE LYS 8 -9.766 -5.406 5.668 63 HE3 LYS 8 1HE LYS 8 -8.270 -6.241 5.255 64 HZ1 LYS 8 3HZ LYS 8 -10.046 -6.823 7.564 65 HZ2 LYS 8 1HZ LYS 8 -8.553 -7.580 7.285 66 HZ3 LYS 8 2HZ LYS 8 -9.829 -7.784 6.189 67 H THR 9 H THR 9 -4.859 -5.525 6.545 68 HA THR 9 HA THR 9 -3.576 -4.487 4.106 69 HB THR 9 HB THR 9 -3.095 -7.091 5.569 70 HG1 THR 9 1HG THR 9 -1.683 -5.933 6.615 71 HG21 THR 9 3HG2 THR 9 -2.830 -7.353 3.139 72 HG22 THR 9 1HG2 THR 9 -1.275 -7.451 3.968 73 HG23 THR 9 2HG2 THR 9 -1.728 -5.976 3.113 74 H TYR 10 H TYR 10 -4.630 -4.878 2.259 75 HA TYR 10 HA TYR 10 -6.793 -6.857 2.247 76 HB2 TYR 10 2HB TYR 10 -6.076 -4.922 0.040 77 HB3 TYR 10 1HB TYR 10 -7.578 -5.813 0.236 78 HD1 TYR 10 2HD TYR 10 -8.758 -5.307 2.597 79 HD2 TYR 10 1HD TYR 10 -6.143 -2.663 0.542 80 HE1 TYR 10 2HE TYR 10 -9.757 -3.426 3.808 81 HE2 TYR 10 1HE TYR 10 -7.130 -0.754 1.748 82 HH TYR 10 HH TYR 10 -9.172 -1.140 4.453 83 H ASP 11 H ASP 11 -6.591 -8.774 1.225 84 HA ASP 11 HA ASP 11 -4.207 -9.359 -0.296 85 HB2 ASP 11 2HB ASP 11 -6.716 -11.016 0.101 86 HB3 ASP 11 1HB ASP 11 -5.256 -11.570 -0.704 87 H LEU 12 H LEU 12 -4.017 -8.536 -2.272 88 HA LEU 12 HA LEU 12 -6.349 -8.005 -3.890 89 HB2 LEU 12 2HB LEU 12 -3.402 -7.538 -4.214 90 HB3 LEU 12 1HB LEU 12 -4.473 -7.400 -5.597 91 HG LEU 12 HG LEU 12 -4.262 -5.211 -4.870 92 HD11 LEU 12 1HD1 LEU 12 -6.708 -6.283 -3.490 93 HD12 LEU 12 2HD1 LEU 12 -6.588 -5.725 -5.158 94 HD13 LEU 12 3HD1 LEU 12 -6.399 -4.581 -3.830 95 HD21 LEU 12 3HD2 LEU 12 -4.363 -4.499 -2.528 96 HD22 LEU 12 1HD2 LEU 12 -3.045 -5.633 -2.825 97 HD23 LEU 12 2HD2 LEU 12 -4.523 -6.186 -2.033 98 H GLN 13 H GLN 13 -7.020 -9.134 -5.640 99 HA GLN 13 HA GLN 13 -6.339 -11.870 -5.860 100 HB2 GLN 13 2HB GLN 13 -7.923 -10.005 -7.614 101 HB3 GLN 13 1HB GLN 13 -7.718 -11.707 -7.998 102 HG2 GLN 13 2HG GLN 13 -8.869 -12.371 -6.035 103 HG3 GLN 13 1HG GLN 13 -8.854 -10.728 -5.394 104 HE21 GLN 13 1HE2 GLN 13 -10.256 -9.211 -6.232 105 HE22 GLN 13 2HE2 GLN 13 -11.629 -9.643 -7.200 106 H ASP 14 H ASP 14 -4.953 -9.082 -7.091 107 HA ASP 14 HA ASP 14 -3.765 -10.021 -9.476 108 HB2 ASP 14 2HB ASP 14 -4.012 -7.675 -9.098 109 HB3 ASP 14 1HB ASP 14 -3.133 -7.767 -7.579 110 H GLY 15 H GLY 15 -3.134 -10.646 -6.199 111 HA2 GLY 15 2HA GLY 15 -1.518 -12.260 -5.483 112 HA3 GLY 15 1HA GLY 15 -0.537 -11.846 -6.887 113 H SER 16 H SER 16 -1.700 -9.058 -5.752 114 HA SER 16 HA SER 16 0.705 -8.499 -4.190 115 HB2 SER 16 2HB SER 16 -1.256 -6.630 -5.549 116 HB3 SER 16 1HB SER 16 0.191 -6.128 -4.671 117 HG SER 16 HG SER 16 -0.053 -7.360 -7.181 118 H LYS 17 H LYS 17 0.286 -6.747 -2.454 119 HA LYS 17 HA LYS 17 -2.352 -6.869 -1.250 120 HB2 LYS 17 2HB LYS 17 0.098 -7.972 0.083 121 HB3 LYS 17 1HB LYS 17 -1.234 -7.319 1.021 122 HG2 LYS 17 2HG LYS 17 -2.687 -8.959 -0.339 123 HG3 LYS 17 1HG LYS 17 -1.155 -9.755 -0.700 124 HD2 LYS 17 2HD LYS 17 -2.325 -9.231 2.029 125 HD3 LYS 17 1HD LYS 17 -2.178 -10.794 1.226 126 HE2 LYS 17 2HE LYS 17 0.305 -10.454 1.223 127 HE3 LYS 17 1HE LYS 17 0.047 -9.023 2.219 128 HZ1 LYS 17 3HZ LYS 17 -1.072 -10.475 3.858 129 HZ2 LYS 17 1HZ LYS 17 0.565 -10.868 3.628 130 HZ3 LYS 17 2HZ LYS 17 -0.650 -11.821 2.921 131 H VAL 18 H VAL 18 -2.835 -5.011 -0.254 132 HA VAL 18 HA VAL 18 -0.657 -3.063 0.004 133 HB VAL 18 HB VAL 18 -2.426 -2.324 -1.480 134 HG11 VAL 18 1HG1 VAL 18 -4.299 -2.681 0.845 135 HG12 VAL 18 2HG1 VAL 18 -4.284 -3.617 -0.650 136 HG13 VAL 18 3HG1 VAL 18 -4.702 -1.904 -0.685 137 HG21 VAL 18 3HG2 VAL 18 -2.414 -0.856 1.145 138 HG22 VAL 18 1HG2 VAL 18 -3.025 -0.200 -0.375 139 HG23 VAL 18 2HG2 VAL 18 -1.317 -0.616 -0.219 140 H HIS 19 H HIS 19 0.029 -2.601 1.981 141 HA HIS 19 HA HIS 19 -1.680 -3.338 4.258 142 HB2 HIS 19 2HB HIS 19 1.057 -2.318 4.793 143 HB3 HIS 19 1HB HIS 19 0.203 -3.664 5.530 144 HD1 HIS 19 1HD HIS 19 0.405 -6.008 4.274 145 HD2 HIS 19 2HD HIS 19 2.820 -2.951 2.819 146 HE1 HIS 19 1HE HIS 19 2.083 -7.141 2.767 147 HE2 HIS 19 2HE HIS 19 3.702 -5.292 2.138 148 H VAL 20 H VAL 20 -3.034 -1.688 4.620 149 HA VAL 20 HA VAL 20 -2.282 1.020 3.924 150 HB VAL 20 HB VAL 20 -4.830 0.165 5.300 151 HG11 VAL 20 1HG1 VAL 20 -4.171 2.375 3.365 152 HG12 VAL 20 2HG1 VAL 20 -4.416 2.562 5.105 153 HG13 VAL 20 3HG1 VAL 20 -5.758 2.066 4.071 154 HG21 VAL 20 3HG2 VAL 20 -5.807 -0.183 3.087 155 HG22 VAL 20 1HG2 VAL 20 -4.487 -1.314 3.381 156 HG23 VAL 20 2HG2 VAL 20 -4.231 0.090 2.343 157 H PHE 21 H PHE 21 -1.798 2.642 5.287 158 HA PHE 21 HA PHE 21 -1.257 1.822 8.050 159 HB2 PHE 21 2HB PHE 21 -0.161 4.241 6.621 160 HB3 PHE 21 1HB PHE 21 0.421 3.526 8.116 161 HD1 PHE 21 2HD PHE 21 1.307 1.108 7.955 162 HD2 PHE 21 1HD PHE 21 0.880 3.697 4.611 163 HE1 PHE 21 2HE PHE 21 2.902 -0.267 6.686 164 HE2 PHE 21 1HE PHE 21 2.465 2.330 3.342 165 HZ PHE 21 HZ PHE 21 3.565 0.438 4.381 166 H LYS 22 H LYS 22 -1.820 3.086 9.777 167 HA LYS 22 HA LYS 22 -4.159 4.692 9.601 168 HB2 LYS 22 2HB LYS 22 -2.168 4.205 11.818 169 HB3 LYS 22 1HB LYS 22 -3.641 5.141 12.035 170 HG2 LYS 22 2HG LYS 22 -5.010 3.261 11.689 171 HG3 LYS 22 1HG LYS 22 -3.678 2.315 11.026 172 HD2 LYS 22 2HD LYS 22 -3.758 3.300 13.876 173 HD3 LYS 22 1HD LYS 22 -4.362 1.719 13.376 174 HE2 LYS 22 2HE LYS 22 -2.104 1.221 12.449 175 HE3 LYS 22 1HE LYS 22 -1.538 2.750 13.118 176 HZ1 LYS 22 3HZ LYS 22 -1.048 0.803 14.530 177 HZ2 LYS 22 1HZ LYS 22 -2.709 0.551 14.734 178 HZ3 LYS 22 2HZ LYS 22 -1.989 1.973 15.321 179 H ASP 23 H ASP 23 -1.039 5.355 8.801 180 HA ASP 23 HA ASP 23 -0.766 8.029 9.779 181 HB2 ASP 23 2HB ASP 23 1.178 6.608 9.223 182 HB3 ASP 23 1HB ASP 23 0.692 6.615 7.532 183 H GLY 24 H GLY 24 -2.309 6.546 7.080 184 HA2 GLY 24 2HA GLY 24 -3.948 7.884 5.872 185 HA3 GLY 24 1HA GLY 24 -2.810 9.221 5.937 186 H LYS 25 H LYS 25 -1.360 6.224 5.359 187 HA LYS 25 HA LYS 25 -1.426 6.616 2.442 188 HB2 LYS 25 2HB LYS 25 0.945 5.719 4.086 189 HB3 LYS 25 1HB LYS 25 0.880 5.809 2.328 190 HG2 LYS 25 2HG LYS 25 0.698 8.195 2.395 191 HG3 LYS 25 1HG LYS 25 0.539 8.180 4.156 192 HD2 LYS 25 2HD LYS 25 2.802 7.222 4.320 193 HD3 LYS 25 1HD LYS 25 2.950 7.314 2.565 194 HE2 LYS 25 2HE LYS 25 4.063 9.189 3.705 195 HE3 LYS 25 1HE LYS 25 2.762 9.723 2.642 196 HZ1 LYS 25 3HZ LYS 25 2.457 9.360 5.576 197 HZ2 LYS 25 1HZ LYS 25 1.346 10.069 4.505 198 HZ3 LYS 25 2HZ LYS 25 2.817 10.843 4.835 199 H MET 26 H MET 26 -0.639 4.503 1.333 200 HA MET 26 HA MET 26 -1.530 2.170 2.872 201 HB2 MET 26 2HB MET 26 -2.302 2.545 -0.016 202 HB3 MET 26 1HB MET 26 -2.939 1.381 1.141 203 HG2 MET 26 2HG MET 26 -3.891 3.298 2.417 204 HG3 MET 26 1HG MET 26 -3.400 4.345 1.093 205 HE1 MET 26 3HE MET 26 -4.156 3.400 -1.563 206 HE2 MET 26 1HE MET 26 -5.518 2.290 -1.763 207 HE3 MET 26 2HE MET 26 -4.002 1.708 -1.076 208 H GLY 27 H GLY 27 0.014 0.719 2.873 209 HA2 GLY 27 2HA GLY 27 2.321 1.055 1.220 210 HA3 GLY 27 1HA GLY 27 2.066 -0.198 2.418 211 H MET 28 H MET 28 1.629 0.734 -0.877 212 HA MET 28 HA MET 28 0.405 -1.717 -1.694 213 HB2 MET 28 2HB MET 28 0.031 0.297 -2.970 214 HB3 MET 28 1HB MET 28 1.754 0.492 -3.244 215 HG2 MET 28 2HG MET 28 1.123 -0.387 -5.229 216 HG3 MET 28 1HG MET 28 1.538 -1.845 -4.336 217 HE1 MET 28 3HE MET 28 -1.315 -1.816 -2.419 218 HE2 MET 28 1HE MET 28 -0.554 -3.304 -3.001 219 HE3 MET 28 2HE MET 28 -2.253 -2.979 -3.369 220 H GLU 29 H GLU 29 1.364 -3.562 -1.914 221 HA GLU 29 HA GLU 29 4.131 -3.789 -2.799 222 HB2 GLU 29 2HB GLU 29 3.694 -3.644 -0.136 223 HB3 GLU 29 1HB GLU 29 3.324 -5.336 -0.375 224 HG2 GLU 29 2HG GLU 29 5.496 -5.833 -1.035 225 HG3 GLU 29 1HG GLU 29 5.887 -4.138 -1.333 226 H ASN 30 H ASN 30 4.535 -6.275 -3.209 227 HA ASN 30 HA ASN 30 2.000 -7.460 -3.990 228 HB2 ASN 30 2HB ASN 30 3.242 -9.322 -4.937 229 HB3 ASN 30 1HB ASN 30 3.877 -7.801 -5.525 230 HD21 ASN 30 1HD2 ASN 30 4.681 -9.092 -2.351 231 HD22 ASN 30 2HD2 ASN 30 6.317 -9.488 -2.742 232 H LYS 31 H LYS 31 1.656 -9.862 -3.282 233 HA LYS 31 HA LYS 31 0.949 -9.497 -0.597 234 HB2 LYS 31 2HB LYS 31 -0.185 -11.504 -0.747 235 HB3 LYS 31 1HB LYS 31 -0.098 -10.996 -2.425 236 HG2 LYS 31 2HG LYS 31 0.573 -13.116 -2.750 237 HG3 LYS 31 1HG LYS 31 2.146 -12.479 -2.262 238 HD2 LYS 31 2HD LYS 31 2.060 -14.173 -0.772 239 HD3 LYS 31 1HD LYS 31 1.101 -13.012 0.154 240 HE2 LYS 31 2HE LYS 31 0.008 -15.140 -1.697 241 HE3 LYS 31 1HE LYS 31 0.037 -15.229 0.063 242 HZ1 LYS 31 3HZ LYS 31 -1.439 -13.323 0.165 243 HZ2 LYS 31 1HZ LYS 31 -2.137 -14.546 -0.777 244 HZ3 LYS 31 2HZ LYS 31 -1.448 -13.197 -1.526 245 H PHE 32 H PHE 32 3.852 -10.754 -1.909 246 HA PHE 32 HA PHE 32 4.541 -12.366 0.369 247 HB2 PHE 32 2HB PHE 32 6.259 -11.455 -1.947 248 HB3 PHE 32 1HB PHE 32 6.648 -12.741 -0.804 249 HD1 PHE 32 2HD PHE 32 4.874 -14.641 -0.621 250 HD2 PHE 32 1HD PHE 32 5.242 -12.002 -3.938 251 HE1 PHE 32 2HE PHE 32 3.654 -16.250 -2.017 252 HE2 PHE 32 1HE PHE 32 4.005 -13.609 -5.347 253 HZ PHE 32 HZ PHE 32 3.206 -15.736 -4.378 254 H GLY 33 H GLY 33 4.778 -9.042 -0.395 255 HA2 GLY 33 2HA GLY 33 5.469 -7.393 1.156 256 HA3 GLY 33 1HA GLY 33 6.448 -8.614 1.976 257 H LYS 34 H LYS 34 6.464 -8.342 -1.434 258 HA LYS 34 HA LYS 34 9.224 -7.389 -1.410 259 HB2 LYS 34 2HB LYS 34 7.530 -8.689 -3.542 260 HB3 LYS 34 1HB LYS 34 9.153 -8.106 -3.819 261 HG2 LYS 34 2HG LYS 34 8.389 -10.252 -1.863 262 HG3 LYS 34 1HG LYS 34 9.079 -10.514 -3.463 263 HD2 LYS 34 2HD LYS 34 11.083 -9.247 -2.780 264 HD3 LYS 34 1HD LYS 34 10.396 -9.083 -1.161 265 HE2 LYS 34 2HE LYS 34 11.987 -10.910 -1.208 266 HE3 LYS 34 1HE LYS 34 10.361 -11.532 -0.946 267 HZ1 LYS 34 3HZ LYS 34 10.252 -12.102 -3.309 268 HZ2 LYS 34 1HZ LYS 34 11.545 -12.884 -2.538 269 HZ3 LYS 34 2HZ LYS 34 11.834 -11.542 -3.530 270 H SER 35 H SER 35 9.733 -5.428 -2.134 271 HA SER 35 HA SER 35 7.868 -3.397 -2.153 272 HB2 SER 35 2HB SER 35 10.588 -3.346 -3.474 273 HB3 SER 35 1HB SER 35 9.661 -1.948 -2.932 274 HG SER 35 HG SER 35 9.906 -3.689 -0.897 275 H MET 36 H MET 36 6.210 -3.274 -3.527 276 HA MET 36 HA MET 36 6.798 -3.367 -6.404 277 HB2 MET 36 2HB MET 36 5.449 -5.303 -5.686 278 HB3 MET 36 1HB MET 36 4.250 -4.219 -5.002 279 HG2 MET 36 2HG MET 36 4.938 -3.917 -7.864 280 HG3 MET 36 1HG MET 36 3.964 -5.303 -7.385 281 HE1 MET 36 3HE MET 36 1.572 -5.123 -6.287 282 HE2 MET 36 1HE MET 36 0.845 -3.602 -5.771 283 HE3 MET 36 2HE MET 36 2.303 -4.201 -4.972 284 H ASN 37 H ASN 37 5.693 -1.861 -7.711 285 HA ASN 37 HA ASN 37 4.834 0.516 -6.183 286 HB2 ASN 37 2HB ASN 37 6.288 0.451 -8.837 287 HB3 ASN 37 1HB ASN 37 5.898 1.883 -7.886 288 HD21 ASN 37 1HD2 ASN 37 7.890 -0.989 -8.058 289 HD22 ASN 37 2HD2 ASN 37 9.084 -0.460 -6.922 290 H MET 38 H MET 38 2.989 1.539 -6.776 291 HA MET 38 HA MET 38 1.731 0.835 -9.330 292 HB2 MET 38 2HB MET 38 0.486 -0.556 -7.869 293 HB3 MET 38 1HB MET 38 0.428 0.674 -6.612 294 HG2 MET 38 2HG MET 38 -1.098 2.001 -7.878 295 HG3 MET 38 1HG MET 38 -0.905 0.969 -9.290 296 HE1 MET 38 3HE MET 38 -1.938 -1.479 -9.495 297 HE2 MET 38 1HE MET 38 -2.705 -2.315 -8.145 298 HE3 MET 38 2HE MET 38 -0.989 -1.920 -8.076 299 HA PRO 39 HA PRO 39 1.413 5.289 -9.268 300 HB2 PRO 39 2HB PRO 39 0.592 5.576 -11.812 301 HB3 PRO 39 1HB PRO 39 2.266 5.172 -11.409 302 HG2 PRO 39 2HG PRO 39 0.051 3.384 -12.328 303 HG3 PRO 39 1HG PRO 39 1.754 3.397 -12.817 304 HD2 PRO 39 2HD PRO 39 0.708 1.648 -10.991 305 HD3 PRO 39 1HD PRO 39 2.406 2.159 -11.006 306 H GLU 40 H GLU 40 -0.303 6.857 -9.956 307 HA GLU 40 HA GLU 40 -2.744 6.226 -8.676 308 HB2 GLU 40 2HB GLU 40 -1.858 8.469 -8.603 309 HB3 GLU 40 1HB GLU 40 -1.896 8.594 -10.354 310 HG2 GLU 40 2HG GLU 40 -4.367 8.430 -10.261 311 HG3 GLU 40 1HG GLU 40 -4.260 8.448 -8.501 312 H GLY 41 H GLY 41 -4.513 5.281 -9.455 313 HA2 GLY 41 2HA GLY 41 -6.347 5.536 -11.043 314 HA3 GLY 41 1HA GLY 41 -5.148 5.720 -12.310 315 H LYS 42 H LYS 42 -4.789 3.261 -9.869 316 HA LYS 42 HA LYS 42 -5.354 1.240 -11.928 317 HB2 LYS 42 2HB LYS 42 -3.692 0.983 -9.417 318 HB3 LYS 42 1HB LYS 42 -3.931 -0.272 -10.622 319 HG2 LYS 42 2HG LYS 42 -2.617 2.381 -11.159 320 HG3 LYS 42 1HG LYS 42 -1.755 0.884 -10.800 321 HD2 LYS 42 2HD LYS 42 -2.738 -0.155 -12.785 322 HD3 LYS 42 1HD LYS 42 -3.605 1.343 -13.141 323 HE2 LYS 42 2HE LYS 42 -1.472 2.518 -13.372 324 HE3 LYS 42 1HE LYS 42 -0.606 1.030 -13.004 325 HZ1 LYS 42 3HZ LYS 42 -0.689 1.459 -15.382 326 HZ2 LYS 42 1HZ LYS 42 -2.385 1.455 -15.347 327 HZ3 LYS 42 2HZ LYS 42 -1.525 0.034 -14.999 328 H VAL 43 H VAL 43 -6.739 -0.430 -11.534 329 HA VAL 43 HA VAL 43 -8.585 -0.068 -9.292 330 HB VAL 43 HB VAL 43 -8.796 -1.892 -11.693 331 HG11 VAL 43 1HG1 VAL 43 -11.158 -2.086 -11.051 332 HG12 VAL 43 2HG1 VAL 43 -10.839 -1.121 -9.611 333 HG13 VAL 43 3HG1 VAL 43 -10.088 -2.705 -9.796 334 HG21 VAL 43 3HG2 VAL 43 -8.832 0.445 -12.364 335 HG22 VAL 43 1HG2 VAL 43 -10.071 0.788 -11.156 336 HG23 VAL 43 2HG2 VAL 43 -10.440 -0.262 -12.523 337 H MET 44 H MET 44 -7.976 -1.053 -7.492 338 HA MET 44 HA MET 44 -6.709 -3.700 -7.584 339 HB2 MET 44 2HB MET 44 -7.162 -1.781 -5.304 340 HB3 MET 44 1HB MET 44 -6.318 -3.319 -5.188 341 HG2 MET 44 2HG MET 44 -4.618 -2.519 -6.719 342 HG3 MET 44 1HG MET 44 -5.475 -0.985 -6.883 343 HE1 MET 44 3HE MET 44 -5.145 0.550 -3.317 344 HE2 MET 44 1HE MET 44 -6.494 -0.396 -3.946 345 HE3 MET 44 2HE MET 44 -5.705 0.806 -4.969 346 H GLU 45 H GLU 45 -8.092 -5.396 -7.526 347 HA GLU 45 HA GLU 45 -10.624 -5.050 -6.064 348 HB2 GLU 45 2HB GLU 45 -10.611 -5.800 -8.504 349 HB3 GLU 45 1HB GLU 45 -9.952 -7.318 -7.917 350 HG2 GLU 45 2HG GLU 45 -11.933 -7.599 -6.490 351 HG3 GLU 45 1HG GLU 45 -12.617 -6.134 -7.189 352 H THR 46 H THR 46 -10.435 -5.648 -4.040 353 HA THR 46 HA THR 46 -8.498 -7.452 -3.050 354 HB THR 46 HB THR 46 -9.575 -7.234 -0.912 355 HG1 THR 46 1HG THR 46 -11.670 -6.013 -0.931 356 HG21 THR 46 3HG2 THR 46 -9.755 -4.791 -0.704 357 HG22 THR 46 1HG2 THR 46 -9.811 -4.649 -2.460 358 HG23 THR 46 2HG2 THR 46 -8.356 -5.258 -1.671 359 H ARG 47 H ARG 47 -9.130 -9.431 -1.703 360 HA ARG 47 HA ARG 47 -10.469 -11.345 -3.274 361 HB2 ARG 47 2HB ARG 47 -9.571 -11.321 -0.405 362 HB3 ARG 47 1HB ARG 47 -10.400 -12.707 -1.094 363 HG2 ARG 47 2HG ARG 47 -7.829 -11.527 -2.130 364 HG3 ARG 47 1HG ARG 47 -7.956 -12.957 -1.102 365 HD2 ARG 47 2HD ARG 47 -9.073 -12.625 -3.883 366 HD3 ARG 47 1HD ARG 47 -7.701 -13.627 -3.410 367 HE ARG 47 HE ARG 47 -9.514 -14.767 -1.932 368 HH11 ARG 47 1HH1 ARG 47 -9.864 -13.639 -5.234 369 HH12 ARG 47 2HH1 ARG 47 -11.203 -14.681 -5.580 370 HH21 ARG 47 1HH2 ARG 47 -11.276 -16.148 -2.395 371 HH22 ARG 47 2HH2 ARG 47 -12.004 -16.109 -3.976 372 H ASP 48 H ASP 48 -11.721 -8.944 -1.254 373 HA ASP 48 HA ASP 48 -14.175 -10.339 -0.586 374 HB2 ASP 48 2HB ASP 48 -13.232 -8.725 0.996 375 HB3 ASP 48 1HB ASP 48 -13.309 -7.458 -0.219 376 H GLY 49 H GLY 49 -12.901 -8.747 -3.243 377 HA2 GLY 49 2HA GLY 49 -13.946 -8.234 -5.271 378 HA3 GLY 49 1HA GLY 49 -15.511 -8.399 -4.483 379 H THR 50 H THR 50 -12.868 -6.502 -3.246 380 HA THR 50 HA THR 50 -14.567 -4.105 -3.431 381 HB THR 50 HB THR 50 -12.080 -4.416 -1.746 382 HG1 THR 50 1HG THR 50 -14.154 -5.911 -1.427 383 HG21 THR 50 3HG2 THR 50 -12.887 -2.139 -2.046 384 HG22 THR 50 1HG2 THR 50 -13.158 -2.660 -0.385 385 HG23 THR 50 2HG2 THR 50 -14.501 -2.616 -1.526 386 H LYS 51 H LYS 51 -14.074 -2.778 -5.043 387 HA LYS 51 HA LYS 51 -11.394 -2.846 -6.151 388 HB2 LYS 51 2HB LYS 51 -13.980 -1.625 -7.069 389 HB3 LYS 51 1HB LYS 51 -12.453 -1.368 -7.883 390 HG2 LYS 51 2HG LYS 51 -12.241 -3.829 -8.140 391 HG3 LYS 51 1HG LYS 51 -13.863 -3.981 -7.468 392 HD2 LYS 51 2HD LYS 51 -14.703 -2.559 -9.321 393 HD3 LYS 51 1HD LYS 51 -13.074 -2.571 -10.016 394 HE2 LYS 51 2HE LYS 51 -13.161 -5.012 -10.155 395 HE3 LYS 51 1HE LYS 51 -14.782 -4.998 -9.467 396 HZ1 LYS 51 3HZ LYS 51 -14.038 -3.689 -12.029 397 HZ2 LYS 51 1HZ LYS 51 -15.599 -3.859 -11.392 398 HZ3 LYS 51 2HZ LYS 51 -14.745 -5.229 -11.901 399 H ILE 52 H ILE 52 -9.971 -1.603 -5.249 400 HA ILE 52 HA ILE 52 -10.764 1.098 -4.396 401 HB ILE 52 HB ILE 52 -8.446 -0.581 -3.399 402 HG12 ILE 52 2HG1 ILE 52 -11.002 0.180 -1.967 403 HG13 ILE 52 1HG1 ILE 52 -10.700 -1.393 -2.696 404 HG21 ILE 52 1HG2 ILE 52 -8.223 1.182 -1.678 405 HG22 ILE 52 2HG2 ILE 52 -9.471 2.117 -2.504 406 HG23 ILE 52 3HG2 ILE 52 -7.938 1.788 -3.311 407 HD11 ILE 52 3HD1 ILE 52 -9.129 -0.163 -0.445 408 HD12 ILE 52 1HD1 ILE 52 -8.835 -1.743 -1.169 409 HD13 ILE 52 2HD1 ILE 52 -10.338 -1.438 -0.296 410 H ILE 53 H ILE 53 -9.764 2.775 -5.364 411 HA ILE 53 HA ILE 53 -7.818 2.123 -7.453 412 HB ILE 53 HB ILE 53 -9.526 4.576 -7.010 413 HG12 ILE 53 2HG1 ILE 53 -10.298 3.939 -9.363 414 HG13 ILE 53 1HG1 ILE 53 -9.463 2.413 -9.116 415 HG21 ILE 53 1HG2 ILE 53 -8.556 5.505 -9.057 416 HG22 ILE 53 2HG2 ILE 53 -7.427 4.154 -9.132 417 HG23 ILE 53 3HG2 ILE 53 -7.339 5.302 -7.796 418 HD11 ILE 53 3HD1 ILE 53 -11.744 3.463 -7.455 419 HD12 ILE 53 1HD1 ILE 53 -10.910 1.929 -7.212 420 HD13 ILE 53 2HD1 ILE 53 -11.842 2.202 -8.685 421 H MET 54 H MET 54 -5.735 2.589 -7.243 422 HA MET 54 HA MET 54 -4.643 3.895 -4.955 423 HB2 MET 54 2HB MET 54 -3.615 2.241 -6.855 424 HB3 MET 54 1HB MET 54 -3.032 3.785 -7.443 425 HG2 MET 54 2HG MET 54 -1.288 3.047 -6.120 426 HG3 MET 54 1HG MET 54 -2.162 4.141 -5.045 427 HE1 MET 54 3HE MET 54 -0.054 2.020 -3.930 428 HE2 MET 54 1HE MET 54 -0.933 1.379 -2.544 429 HE3 MET 54 2HE MET 54 -0.984 3.105 -2.899 430 H LYS 55 H LYS 55 -4.940 6.064 -4.638 431 HA LYS 55 HA LYS 55 -4.401 7.862 -6.871 432 HB2 LYS 55 2HB LYS 55 -6.972 7.172 -6.456 433 HB3 LYS 55 1HB LYS 55 -6.848 8.513 -5.324 434 HG2 LYS 55 2HG LYS 55 -6.033 9.947 -7.152 435 HG3 LYS 55 1HG LYS 55 -6.257 8.603 -8.275 436 HD2 LYS 55 2HD LYS 55 -8.662 8.579 -7.705 437 HD3 LYS 55 1HD LYS 55 -8.404 9.981 -6.663 438 HE2 LYS 55 2HE LYS 55 -8.023 9.826 -9.651 439 HE3 LYS 55 1HE LYS 55 -9.241 10.754 -8.777 440 HZ1 LYS 55 3HZ LYS 55 -6.302 11.222 -8.736 441 HZ2 LYS 55 1HZ LYS 55 -7.432 12.072 -7.797 442 HZ3 LYS 55 2HZ LYS 55 -7.473 12.198 -9.487 443 H GLY 56 H GLY 56 -5.665 10.091 -5.329 444 HA2 GLY 56 2HA GLY 56 -3.336 10.858 -3.879 445 HA3 GLY 56 1HA GLY 56 -4.834 11.766 -3.996 446 H ASN 57 H ASN 57 -5.645 8.755 -2.942 447 HA ASN 57 HA ASN 57 -5.811 9.591 -0.168 448 HB2 ASN 57 2HB ASN 57 -7.062 7.506 0.166 449 HB3 ASN 57 1HB ASN 57 -7.721 8.419 -1.186 450 HD21 ASN 57 1HD2 ASN 57 -7.703 5.510 -0.441 451 HD22 ASN 57 2HD2 ASN 57 -7.166 4.704 -1.872 452 H GLU 58 H GLU 58 -3.627 8.075 -2.148 453 HA GLU 58 HA GLU 58 -2.453 6.477 0.003 454 HB2 GLU 58 2HB GLU 58 -2.776 5.132 -1.886 455 HB3 GLU 58 1HB GLU 58 -2.260 6.395 -2.991 456 HG2 GLU 58 2HG GLU 58 -0.114 5.766 -1.231 457 HG3 GLU 58 1HG GLU 58 -0.758 4.279 -1.929 458 H ILE 59 H ILE 59 -1.516 8.760 -2.544 459 HA ILE 59 HA ILE 59 -0.204 10.603 -2.473 460 HB ILE 59 HB ILE 59 0.124 10.010 0.468 461 HG12 ILE 59 2HG1 ILE 59 -1.698 11.961 -0.957 462 HG13 ILE 59 1HG1 ILE 59 -2.216 10.436 -0.248 463 HG21 ILE 59 1HG2 ILE 59 1.919 11.412 -0.425 464 HG22 ILE 59 2HG2 ILE 59 0.866 12.314 0.665 465 HG23 ILE 59 3HG2 ILE 59 0.720 12.526 -1.079 466 HD11 ILE 59 3HD1 ILE 59 -1.578 11.246 1.960 467 HD12 ILE 59 1HD1 ILE 59 -2.750 12.317 1.190 468 HD13 ILE 59 2HD1 ILE 59 -1.047 12.769 1.250 469 H PHE 60 H PHE 60 1.639 8.929 0.063 470 HA PHE 60 HA PHE 60 3.918 8.920 -1.799 471 HB2 PHE 60 2HB PHE 60 3.955 10.181 0.472 472 HB3 PHE 60 1HB PHE 60 4.167 8.584 1.178 473 HD1 PHE 60 1HD PHE 60 5.654 10.968 -1.245 474 HD2 PHE 60 2HD PHE 60 6.264 7.574 1.246 475 HE1 PHE 60 1HE PHE 60 8.072 11.100 -1.665 476 HE2 PHE 60 2HE PHE 60 8.686 7.701 0.830 477 HZ PHE 60 HZ PHE 60 9.587 9.486 -0.661 478 H ARG 61 H ARG 61 1.635 6.948 -0.627 479 HA ARG 61 HA ARG 61 1.256 4.744 -0.861 480 HB2 ARG 61 2HB ARG 61 2.833 5.010 -2.860 481 HB3 ARG 61 1HB ARG 61 4.076 4.320 -1.823 482 HG2 ARG 61 2HG ARG 61 2.754 2.307 -1.545 483 HG3 ARG 61 1HG ARG 61 1.465 3.001 -2.529 484 HD2 ARG 61 2HD ARG 61 2.517 1.790 -4.138 485 HD3 ARG 61 1HD ARG 61 3.451 3.280 -4.262 486 HE ARG 61 HE ARG 61 4.371 0.971 -2.666 487 HH11 ARG 61 1HH1 ARG 61 4.926 3.462 -5.067 488 HH12 ARG 61 2HH1 ARG 61 6.605 3.054 -5.280 489 HH21 ARG 61 1HH2 ARG 61 6.570 0.412 -2.983 490 HH22 ARG 61 2HH2 ARG 61 7.523 1.306 -4.125 491 H LEU 62 H LEU 62 4.721 4.420 -0.102 492 HA LEU 62 HA LEU 62 3.845 2.836 2.229 493 HB2 LEU 62 2HB LEU 62 4.790 1.749 -0.025 494 HB3 LEU 62 1HB LEU 62 6.314 2.083 0.765 495 HG LEU 62 HG LEU 62 4.103 0.337 1.860 496 HD11 LEU 62 1HD1 LEU 62 5.729 -1.468 1.485 497 HD12 LEU 62 2HD1 LEU 62 6.815 -0.304 0.722 498 HD13 LEU 62 3HD1 LEU 62 5.256 -0.666 -0.015 499 HD21 LEU 62 3HD2 LEU 62 5.319 1.456 3.656 500 HD22 LEU 62 1HD2 LEU 62 6.851 0.922 2.959 501 HD23 LEU 62 2HD2 LEU 62 5.712 -0.264 3.600 502 H ASP 63 H ASP 63 6.997 3.687 0.922 503 HA ASP 63 HA ASP 63 8.798 4.783 1.707 504 HB2 ASP 63 2HB ASP 63 7.279 6.661 2.189 505 HB3 ASP 63 1HB ASP 63 6.962 5.985 3.783 506 H GLU 64 H GLU 64 6.840 3.471 4.392 507 HA GLU 64 HA GLU 64 8.816 3.086 6.274 508 HB2 GLU 64 2HB GLU 64 6.260 1.719 5.666 509 HB3 GLU 64 1HB GLU 64 7.371 0.871 6.728 510 HG2 GLU 64 2HG GLU 64 7.439 2.984 8.117 511 HG3 GLU 64 1HG GLU 64 6.076 3.545 7.150 512 H ALA 65 H ALA 65 8.422 1.320 3.311 513 HA ALA 65 HA ALA 65 10.149 -0.841 4.210 514 HB1 ALA 65 1HB ALA 65 8.967 -0.376 1.476 515 HB2 ALA 65 2HB ALA 65 8.222 -1.331 2.757 516 HB3 ALA 65 3HB ALA 65 9.752 -1.847 2.050 517 H LEU 66 H LEU 66 10.293 2.022 2.195 518 HA LEU 66 HA LEU 66 12.866 1.304 1.093 519 HB2 LEU 66 2HB LEU 66 11.232 3.820 0.781 520 HB3 LEU 66 1HB LEU 66 12.654 3.399 -0.143 521 HG LEU 66 HG LEU 66 10.019 1.933 -0.201 522 HD11 LEU 66 1HD1 LEU 66 11.366 3.693 -2.244 523 HD12 LEU 66 2HD1 LEU 66 9.915 4.085 -1.320 524 HD13 LEU 66 3HD1 LEU 66 9.883 2.772 -2.498 525 HD21 LEU 66 3HD2 LEU 66 11.005 0.639 -2.027 526 HD22 LEU 66 1HD2 LEU 66 11.895 0.409 -0.522 527 HD23 LEU 66 2HD2 LEU 66 12.548 1.461 -1.779 528 H ARG 67 H ARG 67 11.493 3.753 3.244 529 HA ARG 67 HA ARG 67 12.383 5.246 4.682 530 HB2 ARG 67 2HB ARG 67 14.480 3.078 4.925 531 HB3 ARG 67 1HB ARG 67 14.361 4.459 6.005 532 HG2 ARG 67 2HG ARG 67 12.189 3.735 6.771 533 HG3 ARG 67 1HG ARG 67 12.186 2.409 5.605 534 HD2 ARG 67 2HD ARG 67 14.117 1.420 6.705 535 HD3 ARG 67 1HD ARG 67 14.177 2.763 7.840 536 HE ARG 67 HE ARG 67 11.780 1.885 8.390 537 HH11 ARG 67 1HH1 ARG 67 14.625 -0.015 7.650 538 HH12 ARG 67 2HH1 ARG 67 14.155 -1.349 8.667 539 HH21 ARG 67 1HH2 ARG 67 11.157 0.113 9.750 540 HH22 ARG 67 2HH2 ARG 67 12.206 -1.268 9.855 541 H LYS 68 H LYS 68 12.720 6.749 2.951 542 HA LYS 68 HA LYS 68 15.318 6.848 1.686 543 HB2 LYS 68 2HB LYS 68 12.978 8.757 1.539 544 HB3 LYS 68 1HB LYS 68 14.429 8.863 0.554 545 HG2 LYS 68 2HG LYS 68 13.901 6.685 -0.440 546 HG3 LYS 68 1HG LYS 68 12.428 6.612 0.534 547 HD2 LYS 68 2HD LYS 68 11.558 8.582 -0.553 548 HD3 LYS 68 1HD LYS 68 13.066 8.802 -1.439 549 HE2 LYS 68 2HE LYS 68 11.254 6.407 -1.701 550 HE3 LYS 68 1HE LYS 68 11.246 7.794 -2.791 551 HZ1 LYS 68 3HZ LYS 68 13.602 7.308 -3.280 552 HZ2 LYS 68 1HZ LYS 68 12.559 6.052 -3.738 553 HZ3 LYS 68 2HZ LYS 68 13.496 5.903 -2.335 554 H GLY 69 H GLY 69 13.435 9.068 3.741 555 HA2 GLY 69 2HA GLY 69 14.211 10.373 5.507 556 HA3 GLY 69 1HA GLY 69 15.845 9.826 5.167 557 H HIS 70 H HIS 70 16.625 10.627 2.903 558 HA HIS 70 HA HIS 70 15.743 13.381 2.416 559 HB2 HIS 70 2HB HIS 70 17.666 13.549 3.945 560 HB3 HIS 70 1HB HIS 70 18.631 12.569 2.847 561 HD1 HIS 70 1HD HIS 70 19.732 13.746 0.861 562 HD2 HIS 70 2HD HIS 70 17.135 16.191 3.014 563 HE1 HIS 70 1HE HIS 70 20.084 16.074 -0.029 564 HE2 HIS 70 2HE HIS 70 18.587 17.554 1.360 565 H SER 71 H SER 71 15.048 13.224 0.372 566 HA SER 71 HA SER 71 16.394 11.680 -1.626 567 HB2 SER 71 2HB SER 71 14.413 13.948 -1.992 568 HB3 SER 71 1HB SER 71 14.851 12.733 -3.195 569 HG SER 71 HG SER 71 13.527 12.289 -0.712 570 H GLU 72 H GLU 72 18.156 12.252 -2.758 571 HA GLU 72 HA GLU 72 19.530 14.638 -2.052 572 HB2 GLU 72 2HB GLU 72 20.127 12.573 -4.172 573 HB3 GLU 72 1HB GLU 72 21.206 13.894 -3.745 574 HG2 GLU 72 2HG GLU 72 20.321 11.635 -1.965 575 HG3 GLU 72 1HG GLU 72 21.927 11.890 -2.649 576 H GLY 73 H GLY 73 17.409 13.769 -4.664 577 HA2 GLY 73 2HA GLY 73 16.849 16.396 -5.356 578 HA3 GLY 73 1HA GLY 73 18.145 15.877 -6.423 579 H GLY 74 H GLY 74 15.022 16.379 -6.456 580 HA2 GLY 74 2HA GLY 74 14.596 14.230 -8.431 581 HA3 GLY 74 1HA GLY 74 13.344 14.625 -7.259 Start of MODEL 15 1 H1 VAL 1 1HT VAL 1 9.093 -3.106 3.489 2 H2 VAL 1 2HT VAL 1 8.602 -4.574 4.175 3 H3 VAL 1 3HT VAL 1 9.797 -3.651 4.930 4 HA VAL 1 HA VAL 1 8.272 -1.949 5.489 5 HB VAL 1 HB VAL 1 6.888 -2.102 3.445 6 HG11 VAL 1 2HG1 VAL 1 5.055 -3.738 3.331 7 HG12 VAL 1 3HG1 VAL 1 5.701 -4.535 4.766 8 HG13 VAL 1 1HG1 VAL 1 6.646 -4.499 3.278 9 HG21 VAL 1 1HG2 VAL 1 5.349 -2.258 6.037 10 HG22 VAL 1 2HG2 VAL 1 4.712 -1.633 4.515 11 HG23 VAL 1 3HG2 VAL 1 6.053 -0.813 5.311 12 H ASP 2 H ASP 2 7.359 -1.989 7.451 13 HA ASP 2 HA ASP 2 7.132 -4.584 8.761 14 HB2 ASP 2 2HB ASP 2 7.086 -3.345 10.828 15 HB3 ASP 2 1HB ASP 2 8.400 -2.725 9.847 16 H MET 3 H MET 3 5.232 -4.906 10.239 17 HA MET 3 HA MET 3 2.808 -3.729 9.042 18 HB2 MET 3 2HB MET 3 3.198 -6.350 10.486 19 HB3 MET 3 1HB MET 3 1.620 -5.694 10.075 20 HG2 MET 3 2HG MET 3 2.718 -5.585 7.663 21 HG3 MET 3 1HG MET 3 3.694 -6.890 8.335 22 HE1 MET 3 3HE MET 3 -0.906 -6.987 8.097 23 HE2 MET 3 1HE MET 3 0.077 -5.640 7.520 24 HE3 MET 3 2HE MET 3 -0.005 -5.993 9.244 25 H SER 4 H SER 4 4.728 -2.928 11.285 26 HA SER 4 HA SER 4 3.102 -2.974 13.658 27 HB2 SER 4 2HB SER 4 5.639 -3.018 13.608 28 HB3 SER 4 1HB SER 4 5.583 -1.325 13.123 29 HG SER 4 HG SER 4 4.837 -0.755 15.078 30 H ASN 5 H ASN 5 3.827 -0.810 11.025 31 HA ASN 5 HA ASN 5 2.215 1.317 12.225 32 HB2 ASN 5 2HB ASN 5 3.881 1.226 9.705 33 HB3 ASN 5 1HB ASN 5 2.912 2.610 10.193 34 HD21 ASN 5 1HD2 ASN 5 5.730 0.675 10.921 35 HD22 ASN 5 2HD2 ASN 5 6.468 1.823 11.994 36 H VAL 6 H VAL 6 1.718 -1.377 10.375 37 HA VAL 6 HA VAL 6 -0.285 -0.238 8.604 38 HB VAL 6 HB VAL 6 0.458 -3.151 9.024 39 HG11 VAL 6 1HG1 VAL 6 -0.649 -3.511 6.875 40 HG12 VAL 6 2HG1 VAL 6 -1.109 -1.811 6.822 41 HG13 VAL 6 3HG1 VAL 6 -1.766 -2.861 8.075 42 HG21 VAL 6 3HG2 VAL 6 1.720 -2.914 6.928 43 HG22 VAL 6 1HG2 VAL 6 2.364 -1.890 8.211 44 HG23 VAL 6 2HG2 VAL 6 1.379 -1.183 6.930 45 H VAL 7 H VAL 7 -2.474 -0.399 8.871 46 HA VAL 7 HA VAL 7 -3.387 -1.694 11.354 47 HB VAL 7 HB VAL 7 -3.658 0.721 11.474 48 HG11 VAL 7 1HG1 VAL 7 -3.799 1.270 9.119 49 HG12 VAL 7 2HG1 VAL 7 -5.190 1.920 9.986 50 HG13 VAL 7 3HG1 VAL 7 -5.365 0.466 9.005 51 HG21 VAL 7 3HG2 VAL 7 -5.310 -0.622 12.612 52 HG22 VAL 7 1HG2 VAL 7 -6.278 -0.731 11.142 53 HG23 VAL 7 2HG2 VAL 7 -6.073 0.823 11.949 54 H LYS 8 H LYS 8 -4.149 -1.088 7.958 55 HA LYS 8 HA LYS 8 -5.950 -3.414 8.023 56 HB2 LYS 8 2HB LYS 8 -7.250 -1.273 7.968 57 HB3 LYS 8 1HB LYS 8 -6.432 -0.861 6.466 58 HG2 LYS 8 2HG LYS 8 -8.514 -1.674 5.837 59 HG3 LYS 8 1HG LYS 8 -7.385 -2.992 5.515 60 HD2 LYS 8 2HD LYS 8 -8.024 -4.089 7.588 61 HD3 LYS 8 1HD LYS 8 -9.109 -2.757 7.984 62 HE2 LYS 8 2HE LYS 8 -10.479 -3.271 6.045 63 HE3 LYS 8 1HE LYS 8 -9.371 -4.563 5.584 64 HZ1 LYS 8 3HZ LYS 8 -10.955 -4.475 8.102 65 HZ2 LYS 8 1HZ LYS 8 -9.916 -5.728 7.623 66 HZ3 LYS 8 2HZ LYS 8 -11.326 -5.414 6.738 67 H THR 9 H THR 9 -5.667 -4.819 6.383 68 HA THR 9 HA THR 9 -4.006 -3.968 4.122 69 HB THR 9 HB THR 9 -3.649 -6.553 5.646 70 HG1 THR 9 1HG THR 9 -2.740 -4.791 6.755 71 HG21 THR 9 3HG2 THR 9 -3.220 -6.809 3.262 72 HG22 THR 9 1HG2 THR 9 -1.711 -6.867 4.170 73 HG23 THR 9 2HG2 THR 9 -2.153 -5.404 3.291 74 H TYR 10 H TYR 10 -4.773 -4.603 2.192 75 HA TYR 10 HA TYR 10 -6.987 -6.547 2.204 76 HB2 TYR 10 2HB TYR 10 -6.410 -4.549 0.017 77 HB3 TYR 10 1HB TYR 10 -7.884 -5.472 0.281 78 HD1 TYR 10 2HD TYR 10 -9.319 -4.924 2.273 79 HD2 TYR 10 1HD TYR 10 -6.124 -2.417 1.009 80 HE1 TYR 10 2HE TYR 10 -10.281 -3.071 3.557 81 HE2 TYR 10 1HE TYR 10 -7.078 -0.549 2.300 82 HH TYR 10 HH TYR 10 -9.084 0.176 3.298 83 H ASP 11 H ASP 11 -6.665 -8.417 1.237 84 HA ASP 11 HA ASP 11 -4.275 -8.919 -0.286 85 HB2 ASP 11 2HB ASP 11 -6.672 -10.634 0.380 86 HB3 ASP 11 1HB ASP 11 -5.348 -11.198 -0.631 87 H LEU 12 H LEU 12 -4.040 -8.612 -2.371 88 HA LEU 12 HA LEU 12 -6.326 -7.897 -3.992 89 HB2 LEU 12 2HB LEU 12 -3.356 -7.830 -4.358 90 HB3 LEU 12 1HB LEU 12 -4.394 -7.755 -5.766 91 HG LEU 12 HG LEU 12 -3.840 -5.526 -5.233 92 HD11 LEU 12 1HD1 LEU 12 -6.574 -6.052 -4.086 93 HD12 LEU 12 2HD1 LEU 12 -6.193 -5.870 -5.799 94 HD13 LEU 12 3HD1 LEU 12 -5.981 -4.508 -4.696 95 HD21 LEU 12 3HD2 LEU 12 -4.665 -6.093 -2.394 96 HD22 LEU 12 1HD2 LEU 12 -4.168 -4.523 -3.032 97 HD23 LEU 12 2HD2 LEU 12 -3.016 -5.862 -2.975 98 H GLN 13 H GLN 13 -7.030 -9.006 -5.802 99 HA GLN 13 HA GLN 13 -6.940 -11.825 -5.601 100 HB2 GLN 13 2HB GLN 13 -8.053 -9.913 -7.626 101 HB3 GLN 13 1HB GLN 13 -8.124 -11.651 -7.883 102 HG2 GLN 13 2HG GLN 13 -9.469 -11.971 -5.965 103 HG3 GLN 13 1HG GLN 13 -9.183 -10.323 -5.407 104 HE21 GLN 13 1HE2 GLN 13 -9.536 -9.137 -8.027 105 HE22 GLN 13 2HE2 GLN 13 -11.238 -9.176 -8.345 106 H ASP 14 H ASP 14 -4.985 -9.563 -7.245 107 HA ASP 14 HA ASP 14 -3.843 -11.271 -9.200 108 HB2 ASP 14 2HB ASP 14 -3.564 -8.952 -9.536 109 HB3 ASP 14 1HB ASP 14 -2.982 -8.702 -7.895 110 H GLY 15 H GLY 15 -3.351 -10.843 -5.807 111 HA2 GLY 15 2HA GLY 15 -2.190 -12.690 -4.664 112 HA3 GLY 15 1HA GLY 15 -0.995 -12.613 -5.954 113 H SER 16 H SER 16 -1.434 -9.571 -5.765 114 HA SER 16 HA SER 16 0.702 -9.057 -3.928 115 HB2 SER 16 2HB SER 16 -1.044 -7.066 -5.395 116 HB3 SER 16 1HB SER 16 0.535 -6.767 -4.667 117 HG SER 16 HG SER 16 -0.090 -8.285 -6.980 118 H LYS 17 H LYS 17 0.176 -6.801 -2.574 119 HA LYS 17 HA LYS 17 -2.288 -7.209 -1.071 120 HB2 LYS 17 2HB LYS 17 -0.196 -8.716 -0.353 121 HB3 LYS 17 1HB LYS 17 0.254 -7.245 0.491 122 HG2 LYS 17 2HG LYS 17 -1.938 -7.317 1.660 123 HG3 LYS 17 1HG LYS 17 -2.241 -8.882 0.894 124 HD2 LYS 17 2HD LYS 17 -0.153 -9.742 1.910 125 HD3 LYS 17 1HD LYS 17 0.061 -8.196 2.727 126 HE2 LYS 17 2HE LYS 17 -0.924 -9.438 4.384 127 HE3 LYS 17 1HE LYS 17 -2.330 -8.677 3.650 128 HZ1 LYS 17 3HZ LYS 17 -2.792 -10.685 2.439 129 HZ2 LYS 17 1HZ LYS 17 -2.628 -11.060 4.087 130 HZ3 LYS 17 2HZ LYS 17 -1.367 -11.409 3.010 131 H VAL 18 H VAL 18 -3.015 -5.227 -0.427 132 HA VAL 18 HA VAL 18 -1.049 -3.035 -0.456 133 HB VAL 18 HB VAL 18 -2.902 -2.736 -2.032 134 HG11 VAL 18 1HG1 VAL 18 -4.672 -2.833 0.399 135 HG12 VAL 18 2HG1 VAL 18 -4.652 -3.971 -0.949 136 HG13 VAL 18 3HG1 VAL 18 -5.186 -2.311 -1.205 137 HG21 VAL 18 3HG2 VAL 18 -3.608 -0.488 -1.327 138 HG22 VAL 18 1HG2 VAL 18 -1.879 -0.757 -1.098 139 HG23 VAL 18 2HG2 VAL 18 -2.979 -0.809 0.287 140 H HIS 19 H HIS 19 -0.555 -1.985 1.336 141 HA HIS 19 HA HIS 19 -2.000 -2.792 3.779 142 HB2 HIS 19 2HB HIS 19 0.781 -1.743 3.987 143 HB3 HIS 19 1HB HIS 19 -0.027 -2.970 4.952 144 HD1 HIS 19 1HD HIS 19 -0.277 -5.386 3.648 145 HD2 HIS 19 2HD HIS 19 2.591 -2.717 2.255 146 HE1 HIS 19 1HE HIS 19 1.289 -6.763 2.221 147 HE2 HIS 19 2HE HIS 19 2.931 -5.100 1.291 148 H VAL 20 H VAL 20 -3.190 -1.238 4.530 149 HA VAL 20 HA VAL 20 -2.418 1.526 4.038 150 HB VAL 20 HB VAL 20 -4.576 2.143 4.443 151 HG11 VAL 20 1HG1 VAL 20 -4.893 -0.726 3.647 152 HG12 VAL 20 2HG1 VAL 20 -4.649 0.655 2.575 153 HG13 VAL 20 3HG1 VAL 20 -6.140 0.513 3.506 154 HG21 VAL 20 3HG2 VAL 20 -6.175 1.032 5.884 155 HG22 VAL 20 1HG2 VAL 20 -4.681 1.407 6.745 156 HG23 VAL 20 2HG2 VAL 20 -4.998 -0.242 6.203 157 H PHE 21 H PHE 21 -1.834 2.920 5.655 158 HA PHE 21 HA PHE 21 -0.884 1.513 8.046 159 HB2 PHE 21 2HB PHE 21 0.000 4.238 7.101 160 HB3 PHE 21 1HB PHE 21 0.819 3.159 8.221 161 HD1 PHE 21 2HD PHE 21 1.969 1.139 7.401 162 HD2 PHE 21 1HD PHE 21 0.231 3.964 4.731 163 HE1 PHE 21 2HE PHE 21 3.264 0.183 5.549 164 HE2 PHE 21 1HE PHE 21 1.527 3.009 2.876 165 HZ PHE 21 HZ PHE 21 3.048 1.116 3.283 166 H LYS 22 H LYS 22 -0.746 2.854 10.031 167 HA LYS 22 HA LYS 22 -3.342 3.744 10.771 168 HB2 LYS 22 2HB LYS 22 -0.719 4.087 12.223 169 HB3 LYS 22 1HB LYS 22 -2.326 4.179 12.940 170 HG2 LYS 22 2HG LYS 22 -2.712 1.843 12.445 171 HG3 LYS 22 1HG LYS 22 -1.153 1.735 11.629 172 HD2 LYS 22 2HD LYS 22 -0.108 2.412 13.834 173 HD3 LYS 22 1HD LYS 22 -1.697 2.149 14.560 174 HE2 LYS 22 2HE LYS 22 -1.672 -0.153 13.631 175 HE3 LYS 22 1HE LYS 22 -0.021 0.133 13.077 176 HZ1 LYS 22 3HZ LYS 22 -0.962 0.156 15.898 177 HZ2 LYS 22 1HZ LYS 22 0.622 0.519 15.396 178 HZ3 LYS 22 2HZ LYS 22 -0.007 -1.038 15.158 179 H ASP 23 H ASP 23 -0.875 5.209 9.137 180 HA ASP 23 HA ASP 23 -1.112 7.911 9.971 181 HB2 ASP 23 2HB ASP 23 0.827 7.095 8.716 182 HB3 ASP 23 1HB ASP 23 -0.205 6.716 7.341 183 H GLY 24 H GLY 24 -3.030 5.815 8.035 184 HA2 GLY 24 2HA GLY 24 -5.295 6.350 7.523 185 HA3 GLY 24 1HA GLY 24 -4.849 8.051 7.461 186 H LYS 25 H LYS 25 -2.453 6.457 5.916 187 HA LYS 25 HA LYS 25 -3.775 6.760 3.306 188 HB2 LYS 25 2HB LYS 25 -0.852 7.188 3.965 189 HB3 LYS 25 1HB LYS 25 -1.594 7.375 2.378 190 HG2 LYS 25 2HG LYS 25 -3.017 9.170 3.290 191 HG3 LYS 25 1HG LYS 25 -2.183 9.011 4.834 192 HD2 LYS 25 2HD LYS 25 -0.047 9.527 3.648 193 HD3 LYS 25 1HD LYS 25 -0.997 9.860 2.196 194 HE2 LYS 25 2HE LYS 25 -0.525 11.936 3.331 195 HE3 LYS 25 1HE LYS 25 -2.249 11.581 3.455 196 HZ1 LYS 25 3HZ LYS 25 -1.740 10.616 5.692 197 HZ2 LYS 25 1HZ LYS 25 -1.512 12.294 5.584 198 HZ3 LYS 25 2HZ LYS 25 -0.180 11.246 5.551 199 H MET 26 H MET 26 -2.434 5.491 1.554 200 HA MET 26 HA MET 26 -2.344 2.743 2.621 201 HB2 MET 26 2HB MET 26 -3.410 3.734 -0.030 202 HB3 MET 26 1HB MET 26 -3.347 2.049 0.475 203 HG2 MET 26 2HG MET 26 -4.955 2.387 2.162 204 HG3 MET 26 1HG MET 26 -4.814 4.134 2.035 205 HE1 MET 26 3HE MET 26 -5.566 1.021 -0.214 206 HE2 MET 26 1HE MET 26 -4.727 2.192 -1.228 207 HE3 MET 26 2HE MET 26 -6.416 1.802 -1.549 208 H GLY 27 H GLY 27 -0.832 1.323 1.846 209 HA2 GLY 27 2HA GLY 27 1.147 2.412 -0.058 210 HA3 GLY 27 1HA GLY 27 1.609 1.476 1.357 211 H MET 28 H MET 28 1.613 1.210 -1.760 212 HA MET 28 HA MET 28 0.321 -1.396 -2.028 213 HB2 MET 28 2HB MET 28 -0.049 0.088 -3.861 214 HB3 MET 28 1HB MET 28 1.662 0.467 -3.982 215 HG2 MET 28 2HG MET 28 1.602 -0.989 -5.666 216 HG3 MET 28 1HG MET 28 1.746 -2.173 -4.377 217 HE1 MET 28 3HE MET 28 -2.028 -3.335 -4.008 218 HE2 MET 28 1HE MET 28 -1.150 -2.126 -3.071 219 HE3 MET 28 2HE MET 28 -0.376 -3.660 -3.472 220 H GLU 29 H GLU 29 1.387 -3.303 -2.143 221 HA GLU 29 HA GLU 29 4.177 -3.537 -2.785 222 HB2 GLU 29 2HB GLU 29 4.048 -2.780 -0.302 223 HB3 GLU 29 1HB GLU 29 3.347 -4.357 0.009 224 HG2 GLU 29 2HG GLU 29 5.583 -4.628 0.529 225 HG3 GLU 29 1HG GLU 29 5.452 -5.299 -1.097 226 H ASN 30 H ASN 30 4.774 -6.000 -2.387 227 HA ASN 30 HA ASN 30 2.416 -7.582 -3.004 228 HB2 ASN 30 2HB ASN 30 3.916 -9.462 -3.347 229 HB3 ASN 30 1HB ASN 30 4.478 -8.066 -4.246 230 HD21 ASN 30 1HD2 ASN 30 6.508 -8.980 -4.414 231 HD22 ASN 30 2HD2 ASN 30 7.616 -8.988 -3.081 232 H LYS 31 H LYS 31 2.431 -9.846 -1.744 233 HA LYS 31 HA LYS 31 1.592 -9.211 0.844 234 HB2 LYS 31 2HB LYS 31 1.202 -11.515 1.198 235 HB3 LYS 31 1HB LYS 31 0.885 -11.209 -0.501 236 HG2 LYS 31 2HG LYS 31 3.543 -12.240 0.415 237 HG3 LYS 31 1HG LYS 31 2.180 -13.323 0.145 238 HD2 LYS 31 2HD LYS 31 2.973 -11.357 -1.955 239 HD3 LYS 31 1HD LYS 31 3.877 -12.866 -1.770 240 HE2 LYS 31 2HE LYS 31 1.763 -14.120 -1.995 241 HE3 LYS 31 1HE LYS 31 0.912 -12.601 -2.268 242 HZ1 LYS 31 3HZ LYS 31 1.409 -13.689 -4.350 243 HZ2 LYS 31 1HZ LYS 31 3.065 -13.727 -3.978 244 HZ3 LYS 31 2HZ LYS 31 2.285 -12.242 -4.233 245 H PHE 32 H PHE 32 4.794 -9.903 -0.244 246 HA PHE 32 HA PHE 32 5.674 -10.870 2.355 247 HB2 PHE 32 2HB PHE 32 7.235 -10.403 -0.191 248 HB3 PHE 32 1HB PHE 32 7.863 -11.160 1.269 249 HD1 PHE 32 2HD PHE 32 5.993 -13.059 2.117 250 HD2 PHE 32 1HD PHE 32 6.924 -11.914 -1.873 251 HE1 PHE 32 2HE PHE 32 5.212 -15.249 1.308 252 HE2 PHE 32 1HE PHE 32 6.144 -14.098 -2.690 253 HZ PHE 32 HZ PHE 32 5.316 -15.786 -1.084 254 H GLY 33 H GLY 33 5.884 -7.969 0.409 255 HA2 GLY 33 2HA GLY 33 6.372 -5.849 1.439 256 HA3 GLY 33 1HA GLY 33 7.394 -6.696 2.597 257 H LYS 34 H LYS 34 7.467 -7.535 -0.752 258 HA LYS 34 HA LYS 34 10.098 -6.275 -1.044 259 HB2 LYS 34 2HB LYS 34 8.726 -8.541 -2.430 260 HB3 LYS 34 1HB LYS 34 9.944 -7.639 -3.302 261 HG2 LYS 34 2HG LYS 34 10.910 -9.614 -2.308 262 HG3 LYS 34 1HG LYS 34 11.581 -8.168 -1.559 263 HD2 LYS 34 2HD LYS 34 10.013 -8.455 0.323 264 HD3 LYS 34 1HD LYS 34 9.431 -9.948 -0.419 265 HE2 LYS 34 2HE LYS 34 11.603 -10.961 -0.204 266 HE3 LYS 34 1HE LYS 34 12.304 -9.443 0.354 267 HZ1 LYS 34 3HZ LYS 34 10.792 -9.583 2.295 268 HZ2 LYS 34 1HZ LYS 34 11.936 -10.836 2.229 269 HZ3 LYS 34 2HZ LYS 34 10.328 -11.139 1.787 270 H SER 35 H SER 35 10.377 -4.600 -2.368 271 HA SER 35 HA SER 35 8.270 -2.869 -2.699 272 HB2 SER 35 2HB SER 35 10.901 -2.875 -4.180 273 HB3 SER 35 1HB SER 35 9.806 -1.496 -4.045 274 HG SER 35 HG SER 35 10.072 -2.114 -1.624 275 H MET 36 H MET 36 6.542 -3.123 -3.860 276 HA MET 36 HA MET 36 6.828 -3.978 -6.665 277 HB2 MET 36 2HB MET 36 5.819 -5.719 -5.143 278 HB3 MET 36 1HB MET 36 4.490 -4.607 -4.846 279 HG2 MET 36 2HG MET 36 5.198 -5.353 -7.621 280 HG3 MET 36 1HG MET 36 4.274 -6.477 -6.636 281 HE1 MET 36 3HE MET 36 1.111 -4.336 -5.790 282 HE2 MET 36 1HE MET 36 2.606 -4.391 -4.856 283 HE3 MET 36 2HE MET 36 1.945 -5.873 -5.548 284 H ASN 37 H ASN 37 6.163 -2.497 -8.053 285 HA ASN 37 HA ASN 37 4.911 -0.116 -6.891 286 HB2 ASN 37 2HB ASN 37 6.541 -0.373 -9.425 287 HB3 ASN 37 1HB ASN 37 6.014 1.126 -8.662 288 HD21 ASN 37 1HD2 ASN 37 8.093 -1.670 -8.342 289 HD22 ASN 37 2HD2 ASN 37 9.169 -0.983 -7.178 290 H MET 38 H MET 38 3.300 1.003 -7.955 291 HA MET 38 HA MET 38 2.033 -0.217 -10.289 292 HB2 MET 38 2HB MET 38 0.788 -1.296 -8.600 293 HB3 MET 38 1HB MET 38 0.766 0.132 -7.577 294 HG2 MET 38 2HG MET 38 -0.803 1.215 -9.001 295 HG3 MET 38 1HG MET 38 -0.647 -0.045 -10.219 296 HE1 MET 38 3HE MET 38 -0.667 -2.701 -8.565 297 HE2 MET 38 1HE MET 38 -1.665 -2.467 -10.002 298 HE3 MET 38 2HE MET 38 -2.389 -3.088 -8.519 299 HA PRO 39 HA PRO 39 1.627 4.092 -11.392 300 HB2 PRO 39 2HB PRO 39 -0.556 3.112 -13.135 301 HB3 PRO 39 1HB PRO 39 0.912 3.999 -13.561 302 HG2 PRO 39 2HG PRO 39 0.664 1.412 -14.152 303 HG3 PRO 39 1HG PRO 39 2.216 2.081 -13.610 304 HD2 PRO 39 2HD PRO 39 0.182 0.516 -12.060 305 HD3 PRO 39 1HD PRO 39 1.952 0.367 -12.060 306 H GLU 40 H GLU 40 -0.083 5.744 -11.511 307 HA GLU 40 HA GLU 40 -1.829 5.378 -9.226 308 HB2 GLU 40 2HB GLU 40 -0.441 7.420 -9.487 309 HB3 GLU 40 1HB GLU 40 -1.362 7.835 -10.927 310 HG2 GLU 40 2HG GLU 40 -3.415 7.812 -9.481 311 HG3 GLU 40 1HG GLU 40 -2.333 7.694 -8.094 312 H GLY 41 H GLY 41 -3.903 4.914 -9.329 313 HA2 GLY 41 2HA GLY 41 -6.100 5.489 -10.121 314 HA3 GLY 41 1HA GLY 41 -5.414 5.771 -11.713 315 H LYS 42 H LYS 42 -4.190 3.020 -10.189 316 HA LYS 42 HA LYS 42 -5.474 1.256 -12.040 317 HB2 LYS 42 2HB LYS 42 -3.625 0.808 -9.705 318 HB3 LYS 42 1HB LYS 42 -4.282 -0.513 -10.657 319 HG2 LYS 42 2HG LYS 42 -2.732 1.731 -11.901 320 HG3 LYS 42 1HG LYS 42 -1.952 0.291 -11.241 321 HD2 LYS 42 2HD LYS 42 -3.473 -1.066 -12.715 322 HD3 LYS 42 1HD LYS 42 -3.950 0.449 -13.485 323 HE2 LYS 42 2HE LYS 42 -1.637 0.870 -14.114 324 HE3 LYS 42 1HE LYS 42 -1.133 -0.619 -13.312 325 HZ1 LYS 42 3HZ LYS 42 -2.552 -1.849 -14.870 326 HZ2 LYS 42 1HZ LYS 42 -1.335 -0.977 -15.666 327 HZ3 LYS 42 2HZ LYS 42 -2.931 -0.403 -15.669 328 H VAL 43 H VAL 43 -7.067 -0.223 -11.661 329 HA VAL 43 HA VAL 43 -8.708 0.228 -9.314 330 HB VAL 43 HB VAL 43 -9.170 -1.621 -11.661 331 HG11 VAL 43 1HG1 VAL 43 -11.501 -1.648 -10.903 332 HG12 VAL 43 2HG1 VAL 43 -11.050 -0.685 -9.497 333 HG13 VAL 43 3HG1 VAL 43 -10.410 -2.319 -9.688 334 HG21 VAL 43 3HG2 VAL 43 -10.211 1.160 -11.116 335 HG22 VAL 43 1HG2 VAL 43 -10.753 0.111 -12.426 336 HG23 VAL 43 2HG2 VAL 43 -9.087 0.687 -12.391 337 H MET 44 H MET 44 -7.808 -0.708 -7.563 338 HA MET 44 HA MET 44 -6.779 -3.432 -7.722 339 HB2 MET 44 2HB MET 44 -6.882 -1.446 -5.451 340 HB3 MET 44 1HB MET 44 -6.166 -3.048 -5.345 341 HG2 MET 44 2HG MET 44 -4.578 -2.448 -7.105 342 HG3 MET 44 1HG MET 44 -5.283 -0.835 -7.177 343 HE1 MET 44 3HE MET 44 -4.280 0.734 -3.797 344 HE2 MET 44 1HE MET 44 -5.815 -0.007 -4.246 345 HE3 MET 44 2HE MET 44 -4.957 1.016 -5.401 346 H GLU 45 H GLU 45 -8.355 -4.897 -7.785 347 HA GLU 45 HA GLU 45 -10.726 -4.524 -6.134 348 HB2 GLU 45 2HB GLU 45 -11.022 -5.083 -8.492 349 HB3 GLU 45 1HB GLU 45 -10.129 -6.577 -8.271 350 HG2 GLU 45 2HG GLU 45 -11.872 -7.394 -6.782 351 HG3 GLU 45 1HG GLU 45 -12.738 -5.867 -6.951 352 H THR 46 H THR 46 -10.793 -5.358 -4.233 353 HA THR 46 HA THR 46 -8.762 -7.045 -3.212 354 HB THR 46 HB THR 46 -10.012 -6.962 -1.121 355 HG1 THR 46 1HG THR 46 -12.082 -6.230 -1.049 356 HG21 THR 46 3HG2 THR 46 -10.107 -4.515 -0.851 357 HG22 THR 46 1HG2 THR 46 -9.999 -4.330 -2.603 358 HG23 THR 46 2HG2 THR 46 -8.649 -5.028 -1.702 359 H ARG 47 H ARG 47 -9.411 -9.007 -1.835 360 HA ARG 47 HA ARG 47 -10.473 -11.032 -3.467 361 HB2 ARG 47 2HB ARG 47 -9.946 -10.891 -0.501 362 HB3 ARG 47 1HB ARG 47 -10.532 -12.350 -1.284 363 HG2 ARG 47 2HG ARG 47 -7.989 -10.943 -2.063 364 HG3 ARG 47 1HG ARG 47 -8.073 -12.280 -0.912 365 HD2 ARG 47 2HD ARG 47 -9.008 -12.382 -3.776 366 HD3 ARG 47 1HD ARG 47 -7.478 -13.029 -3.181 367 HE ARG 47 HE ARG 47 -8.987 -14.443 -1.679 368 HH11 ARG 47 1HH1 ARG 47 -9.864 -13.419 -4.913 369 HH12 ARG 47 2HH1 ARG 47 -10.921 -14.766 -5.201 370 HH21 ARG 47 1HH2 ARG 47 -10.396 -16.204 -2.037 371 HH22 ARG 47 2HH2 ARG 47 -11.211 -16.361 -3.564 372 H ASP 48 H ASP 48 -12.007 -8.751 -1.390 373 HA ASP 48 HA ASP 48 -14.472 -10.296 -1.279 374 HB2 ASP 48 2HB ASP 48 -15.153 -7.991 -0.096 375 HB3 ASP 48 1HB ASP 48 -14.360 -9.308 0.759 376 H GLY 49 H GLY 49 -13.103 -8.550 -3.592 377 HA2 GLY 49 2HA GLY 49 -14.064 -7.862 -5.585 378 HA3 GLY 49 1HA GLY 49 -15.651 -8.088 -4.872 379 H THR 50 H THR 50 -13.124 -6.157 -3.446 380 HA THR 50 HA THR 50 -14.846 -3.794 -3.754 381 HB THR 50 HB THR 50 -12.574 -4.248 -1.806 382 HG1 THR 50 1HG THR 50 -13.997 -5.428 -0.776 383 HG21 THR 50 3HG2 THR 50 -13.038 -1.883 -2.225 384 HG22 THR 50 1HG2 THR 50 -13.577 -2.334 -0.609 385 HG23 THR 50 2HG2 THR 50 -14.755 -2.145 -1.909 386 H LYS 51 H LYS 51 -14.251 -2.342 -5.190 387 HA LYS 51 HA LYS 51 -11.600 -2.457 -6.329 388 HB2 LYS 51 2HB LYS 51 -14.061 -0.870 -7.041 389 HB3 LYS 51 1HB LYS 51 -12.549 -0.810 -7.917 390 HG2 LYS 51 2HG LYS 51 -12.770 -3.277 -8.308 391 HG3 LYS 51 1HG LYS 51 -14.394 -3.159 -7.624 392 HD2 LYS 51 2HD LYS 51 -14.983 -1.521 -9.367 393 HD3 LYS 51 1HD LYS 51 -13.368 -1.697 -10.059 394 HE2 LYS 51 2HE LYS 51 -13.850 -4.136 -10.350 395 HE3 LYS 51 1HE LYS 51 -15.507 -3.810 -9.850 396 HZ1 LYS 51 3HZ LYS 51 -15.555 -3.763 -12.165 397 HZ2 LYS 51 1HZ LYS 51 -14.108 -2.879 -12.283 398 HZ3 LYS 51 2HZ LYS 51 -15.520 -2.124 -11.730 399 H ILE 52 H ILE 52 -10.044 -1.339 -5.418 400 HA ILE 52 HA ILE 52 -10.685 1.283 -4.260 401 HB ILE 52 HB ILE 52 -8.411 -0.545 -3.460 402 HG12 ILE 52 2HG1 ILE 52 -11.000 0.047 -2.002 403 HG13 ILE 52 1HG1 ILE 52 -10.628 -1.461 -2.831 404 HG21 ILE 52 1HG2 ILE 52 -8.142 1.000 -1.577 405 HG22 ILE 52 2HG2 ILE 52 -9.437 2.008 -2.223 406 HG23 ILE 52 3HG2 ILE 52 -7.932 1.823 -3.123 407 HD11 ILE 52 3HD1 ILE 52 -9.176 -0.346 -0.442 408 HD12 ILE 52 1HD1 ILE 52 -8.780 -1.849 -1.278 409 HD13 ILE 52 2HD1 ILE 52 -10.327 -1.684 -0.443 410 H ILE 53 H ILE 53 -9.474 2.994 -4.851 411 HA ILE 53 HA ILE 53 -7.944 2.641 -7.294 412 HB ILE 53 HB ILE 53 -9.219 4.984 -5.935 413 HG12 ILE 53 2HG1 ILE 53 -10.097 5.317 -8.293 414 HG13 ILE 53 1HG1 ILE 53 -9.339 3.784 -8.705 415 HG21 ILE 53 1HG2 ILE 53 -8.206 6.501 -7.601 416 HG22 ILE 53 2HG2 ILE 53 -7.115 5.197 -8.077 417 HG23 ILE 53 3HG2 ILE 53 -7.048 5.855 -6.437 418 HD11 ILE 53 3HD1 ILE 53 -10.738 2.643 -7.077 419 HD12 ILE 53 1HD1 ILE 53 -11.714 3.524 -8.250 420 HD13 ILE 53 2HD1 ILE 53 -11.481 4.178 -6.629 421 H MET 54 H MET 54 -5.826 3.085 -7.551 422 HA MET 54 HA MET 54 -4.222 3.613 -5.157 423 HB2 MET 54 2HB MET 54 -3.642 1.712 -6.699 424 HB3 MET 54 1HB MET 54 -3.353 2.872 -7.966 425 HG2 MET 54 2HG MET 54 -1.242 2.888 -7.344 426 HG3 MET 54 1HG MET 54 -1.749 3.763 -5.909 427 HE1 MET 54 3HE MET 54 -1.622 2.813 -3.492 428 HE2 MET 54 1HE MET 54 -1.569 1.092 -3.102 429 HE3 MET 54 2HE MET 54 -3.002 1.781 -3.868 430 H LYS 55 H LYS 55 -4.878 5.922 -5.038 431 HA LYS 55 HA LYS 55 -3.331 7.605 -6.859 432 HB2 LYS 55 2HB LYS 55 -5.465 7.462 -7.994 433 HB3 LYS 55 1HB LYS 55 -6.324 7.857 -6.513 434 HG2 LYS 55 2HG LYS 55 -5.312 10.098 -6.541 435 HG3 LYS 55 1HG LYS 55 -4.492 9.695 -8.050 436 HD2 LYS 55 2HD LYS 55 -7.487 9.665 -7.676 437 HD3 LYS 55 1HD LYS 55 -6.585 11.020 -8.349 438 HE2 LYS 55 2HE LYS 55 -6.545 8.232 -9.495 439 HE3 LYS 55 1HE LYS 55 -7.628 9.510 -10.050 440 HZ1 LYS 55 3HZ LYS 55 -5.766 10.815 -10.738 441 HZ2 LYS 55 1HZ LYS 55 -5.585 9.263 -11.399 442 HZ3 LYS 55 2HZ LYS 55 -4.659 9.731 -10.052 443 H GLY 56 H GLY 56 -2.622 9.501 -5.976 444 HA2 GLY 56 2HA GLY 56 -2.341 11.234 -4.507 445 HA3 GLY 56 1HA GLY 56 -3.993 10.951 -3.985 446 H ASN 57 H ASN 57 -4.359 10.011 -2.059 447 HA ASN 57 HA ASN 57 -2.069 9.526 -0.344 448 HB2 ASN 57 2HB ASN 57 -3.923 9.106 1.395 449 HB3 ASN 57 1HB ASN 57 -3.702 10.740 0.795 450 HD21 ASN 57 1HD2 ASN 57 -5.296 8.267 -1.144 451 HD22 ASN 57 2HD2 ASN 57 -6.879 8.953 -1.013 452 H GLU 58 H GLU 58 -3.496 7.765 -2.555 453 HA GLU 58 HA GLU 58 -3.146 5.213 -1.112 454 HB2 GLU 58 2HB GLU 58 -4.819 5.459 -3.592 455 HB3 GLU 58 1HB GLU 58 -4.927 4.270 -2.295 456 HG2 GLU 58 2HG GLU 58 -6.025 5.735 -0.881 457 HG3 GLU 58 1HG GLU 58 -5.501 7.134 -1.827 458 H ILE 59 H ILE 59 -1.119 6.785 -2.378 459 HA ILE 59 HA ILE 59 -0.769 5.576 -4.960 460 HB ILE 59 HB ILE 59 1.438 6.809 -4.970 461 HG12 ILE 59 2HG1 ILE 59 0.297 8.116 -2.492 462 HG13 ILE 59 1HG1 ILE 59 1.664 7.008 -2.505 463 HG21 ILE 59 1HG2 ILE 59 -0.539 7.648 -6.093 464 HG22 ILE 59 2HG2 ILE 59 0.413 8.968 -5.415 465 HG23 ILE 59 3HG2 ILE 59 -1.061 8.438 -4.605 466 HD11 ILE 59 3HD1 ILE 59 2.385 9.329 -2.363 467 HD12 ILE 59 1HD1 ILE 59 1.559 9.682 -3.882 468 HD13 ILE 59 2HD1 ILE 59 2.933 8.575 -3.862 469 H PHE 60 H PHE 60 2.130 5.319 -4.850 470 HA PHE 60 HA PHE 60 2.396 2.690 -3.946 471 HB2 PHE 60 2HB PHE 60 3.920 3.758 -5.579 472 HB3 PHE 60 1HB PHE 60 4.587 4.752 -4.291 473 HD1 PHE 60 2HD PHE 60 3.848 1.116 -4.749 474 HD2 PHE 60 1HD PHE 60 6.669 4.098 -3.629 475 HE1 PHE 60 2HE PHE 60 5.502 -0.635 -4.253 476 HE2 PHE 60 1HE PHE 60 8.325 2.351 -3.134 477 HZ PHE 60 HZ PHE 60 7.742 -0.021 -3.446 478 H ARG 61 H ARG 61 3.949 5.552 -2.484 479 HA ARG 61 HA ARG 61 4.254 6.243 -0.366 480 HB2 ARG 61 2HB ARG 61 1.955 6.257 -0.019 481 HB3 ARG 61 1HB ARG 61 1.838 4.506 -0.019 482 HG2 ARG 61 2HG ARG 61 1.463 5.448 2.198 483 HG3 ARG 61 1HG ARG 61 2.883 4.407 2.167 484 HD2 ARG 61 2HD ARG 61 3.378 6.349 3.479 485 HD3 ARG 61 1HD ARG 61 4.304 6.431 1.985 486 HE ARG 61 HE ARG 61 2.219 7.924 1.327 487 HH11 ARG 61 1HH1 ARG 61 4.072 7.865 4.299 488 HH12 ARG 61 2HH1 ARG 61 3.841 9.552 4.635 489 HH21 ARG 61 1HH2 ARG 61 1.924 10.150 1.756 490 HH22 ARG 61 2HH2 ARG 61 2.615 10.852 3.190 491 H LEU 62 H LEU 62 4.298 2.764 -0.781 492 HA LEU 62 HA LEU 62 5.189 1.889 1.662 493 HB2 LEU 62 2HB LEU 62 4.762 0.736 -0.726 494 HB3 LEU 62 1HB LEU 62 6.513 0.712 -0.704 495 HG LEU 62 HG LEU 62 5.654 -1.393 0.110 496 HD11 LEU 62 1HD1 LEU 62 7.708 -0.604 1.111 497 HD12 LEU 62 2HD1 LEU 62 6.745 -1.489 2.295 498 HD13 LEU 62 3HD1 LEU 62 6.797 0.275 2.338 499 HD21 LEU 62 3HD2 LEU 62 4.302 -1.524 2.144 500 HD22 LEU 62 1HD2 LEU 62 3.471 -0.640 0.867 501 HD23 LEU 62 2HD2 LEU 62 4.219 0.235 2.202 502 H ASP 63 H ASP 63 7.445 2.357 -1.032 503 HA ASP 63 HA ASP 63 9.746 2.552 0.581 504 HB2 ASP 63 2HB ASP 63 10.099 1.971 -1.678 505 HB3 ASP 63 1HB ASP 63 9.156 3.336 -2.267 506 H GLU 64 H GLU 64 7.457 4.924 -0.531 507 HA GLU 64 HA GLU 64 8.940 7.266 -0.120 508 HB2 GLU 64 2HB GLU 64 6.823 7.160 -1.370 509 HB3 GLU 64 1HB GLU 64 5.957 6.837 0.120 510 HG2 GLU 64 2HG GLU 64 6.516 9.018 0.966 511 HG3 GLU 64 1HG GLU 64 7.522 9.343 -0.445 512 H ALA 65 H ALA 65 7.071 5.260 2.066 513 HA ALA 65 HA ALA 65 7.105 7.109 4.235 514 HB1 ALA 65 1HB ALA 65 6.222 5.273 5.561 515 HB2 ALA 65 2HB ALA 65 6.615 4.135 4.273 516 HB3 ALA 65 3HB ALA 65 5.383 5.370 4.013 517 H LEU 66 H LEU 66 9.203 4.597 3.080 518 HA LEU 66 HA LEU 66 10.694 4.255 5.477 519 HB2 LEU 66 2HB LEU 66 11.449 3.624 2.621 520 HB3 LEU 66 1HB LEU 66 12.252 3.028 4.057 521 HG LEU 66 HG LEU 66 9.411 2.392 3.279 522 HD11 LEU 66 1HD1 LEU 66 10.999 1.355 1.768 523 HD12 LEU 66 2HD1 LEU 66 10.273 0.145 2.827 524 HD13 LEU 66 3HD1 LEU 66 11.912 0.720 3.137 525 HD21 LEU 66 3HD2 LEU 66 11.128 1.286 5.499 526 HD22 LEU 66 1HD2 LEU 66 9.490 0.775 5.091 527 HD23 LEU 66 2HD2 LEU 66 9.779 2.402 5.705 528 H ARG 67 H ARG 67 11.185 6.100 2.487 529 HA ARG 67 HA ARG 67 13.556 7.383 3.486 530 HB2 ARG 67 2HB ARG 67 11.798 7.883 1.089 531 HB3 ARG 67 1HB ARG 67 13.169 8.913 1.481 532 HG2 ARG 67 2HG ARG 67 14.642 6.935 1.349 533 HG3 ARG 67 1HG ARG 67 13.252 5.967 0.856 534 HD2 ARG 67 2HD ARG 67 14.122 8.434 -0.629 535 HD3 ARG 67 1HD ARG 67 14.762 6.835 -0.994 536 HE ARG 67 HE ARG 67 12.139 6.386 -1.169 537 HH11 ARG 67 1HH1 ARG 67 14.124 8.950 -2.494 538 HH12 ARG 67 2HH1 ARG 67 13.116 9.185 -3.888 539 HH21 ARG 67 1HH2 ARG 67 10.836 6.663 -2.995 540 HH22 ARG 67 2HH2 ARG 67 11.228 7.883 -4.177 541 H LYS 68 H LYS 68 10.639 9.000 2.314 542 HA LYS 68 HA LYS 68 9.231 10.532 3.195 543 HB2 LYS 68 2HB LYS 68 8.888 8.966 5.004 544 HB3 LYS 68 1HB LYS 68 10.341 9.532 5.816 545 HG2 LYS 68 2HG LYS 68 9.262 11.764 6.046 546 HG3 LYS 68 1HG LYS 68 7.785 11.061 5.386 547 HD2 LYS 68 2HD LYS 68 7.680 11.102 7.806 548 HD3 LYS 68 1HD LYS 68 7.754 9.436 7.231 549 HE2 LYS 68 2HE LYS 68 9.219 9.631 9.110 550 HE3 LYS 68 1HE LYS 68 10.212 9.473 7.660 551 HZ1 LYS 68 3HZ LYS 68 9.683 11.920 9.254 552 HZ2 LYS 68 1HZ LYS 68 10.364 11.976 7.699 553 HZ3 LYS 68 2HZ LYS 68 11.173 11.171 8.948 554 H GLY 69 H GLY 69 9.714 12.577 2.687 555 HA2 GLY 69 2HA GLY 69 9.966 14.610 4.077 556 HA3 GLY 69 1HA GLY 69 11.493 13.934 4.609 557 H HIS 70 H HIS 70 12.549 13.104 2.136 558 HA HIS 70 HA HIS 70 13.986 13.954 0.587 559 HB2 HIS 70 2HB HIS 70 12.089 14.878 -0.614 560 HB3 HIS 70 1HB HIS 70 11.991 16.232 0.503 561 HD1 HIS 70 1HD HIS 70 13.610 18.188 0.154 562 HD2 HIS 70 2HD HIS 70 14.099 15.081 -2.568 563 HE1 HIS 70 1HE HIS 70 15.108 19.098 -1.652 564 HE2 HIS 70 2HE HIS 70 15.202 17.279 -3.395 565 H SER 71 H SER 71 15.924 14.504 1.308 566 HA SER 71 HA SER 71 16.072 16.598 3.378 567 HB2 SER 71 2HB SER 71 17.915 14.216 3.119 568 HB3 SER 71 1HB SER 71 17.762 15.321 4.487 569 HG SER 71 HG SER 71 16.287 13.101 3.839 570 H GLU 72 H GLU 72 18.073 17.775 3.537 571 HA GLU 72 HA GLU 72 20.015 18.745 2.883 572 HB2 GLU 72 2HB GLU 72 20.881 16.544 2.442 573 HB3 GLU 72 1HB GLU 72 20.061 16.482 0.889 574 HG2 GLU 72 2HG GLU 72 21.495 18.285 0.072 575 HG3 GLU 72 1HG GLU 72 22.323 18.321 1.630 576 H GLY 73 H GLY 73 18.334 17.699 -0.065 577 HA2 GLY 73 2HA GLY 73 17.333 19.933 -1.110 578 HA3 GLY 73 1HA GLY 73 19.053 20.196 -1.379 579 H GLY 74 H GLY 74 18.072 16.942 -1.396 580 HA2 GLY 74 2HA GLY 74 17.149 16.590 -4.008 581 HA3 GLY 74 1HA GLY 74 18.906 16.467 -4.031 Start of MODEL 16 1 H1 VAL 1 1HT VAL 1 9.249 -1.691 7.087 2 H2 VAL 1 2HT VAL 1 9.307 -0.133 7.744 3 H3 VAL 1 3HT VAL 1 9.055 -0.332 6.082 4 HA VAL 1 HA VAL 1 6.975 0.205 6.981 5 HB VAL 1 HB VAL 1 7.014 -2.817 6.789 6 HG11 VAL 1 2HG1 VAL 1 4.718 -2.550 5.989 7 HG12 VAL 1 3HG1 VAL 1 4.835 -0.806 6.225 8 HG13 VAL 1 1HG1 VAL 1 4.920 -1.892 7.613 9 HG21 VAL 1 1HG2 VAL 1 6.615 -2.538 4.395 10 HG22 VAL 1 2HG2 VAL 1 8.166 -1.845 4.870 11 HG23 VAL 1 3HG2 VAL 1 6.785 -0.789 4.566 12 H ASP 2 H ASP 2 8.209 -2.691 8.641 13 HA ASP 2 HA ASP 2 8.489 -3.150 10.831 14 HB2 ASP 2 2HB ASP 2 7.845 -0.228 11.263 15 HB3 ASP 2 1HB ASP 2 8.594 -1.298 12.442 16 H MET 3 H MET 3 5.629 -2.505 9.542 17 HA MET 3 HA MET 3 3.436 -2.724 10.083 18 HB2 MET 3 2HB MET 3 4.576 -4.493 12.252 19 HB3 MET 3 1HB MET 3 2.915 -4.517 11.669 20 HG2 MET 3 2HG MET 3 5.189 -4.978 9.786 21 HG3 MET 3 1HG MET 3 4.613 -6.274 10.814 22 HE1 MET 3 3HE MET 3 2.368 -4.389 7.263 23 HE2 MET 3 1HE MET 3 4.071 -4.159 7.657 24 HE3 MET 3 2HE MET 3 2.826 -3.391 8.643 25 H SER 4 H SER 4 4.942 -0.557 11.301 26 HA SER 4 HA SER 4 4.167 -0.293 14.036 27 HB2 SER 4 2HB SER 4 6.235 0.698 13.217 28 HB3 SER 4 1HB SER 4 5.339 1.689 12.069 29 HG SER 4 HG SER 4 5.548 3.064 13.684 30 H ASN 5 H ASN 5 3.014 1.010 10.949 31 HA ASN 5 HA ASN 5 0.882 2.371 12.464 32 HB2 ASN 5 2HB ASN 5 2.363 3.200 9.998 33 HB3 ASN 5 1HB ASN 5 0.745 3.821 10.311 34 HD21 ASN 5 1HD2 ASN 5 3.291 5.238 10.224 35 HD22 ASN 5 2HD2 ASN 5 3.468 6.006 11.766 36 H VAL 6 H VAL 6 1.299 -0.284 10.570 37 HA VAL 6 HA VAL 6 -0.900 0.032 8.773 38 HB VAL 6 HB VAL 6 0.950 -1.562 8.331 39 HG11 VAL 6 1HG1 VAL 6 0.991 -3.721 9.453 40 HG12 VAL 6 2HG1 VAL 6 -0.298 -3.188 10.534 41 HG13 VAL 6 3HG1 VAL 6 1.278 -2.395 10.583 42 HG21 VAL 6 3HG2 VAL 6 -0.451 -3.407 7.505 43 HG22 VAL 6 1HG2 VAL 6 -1.145 -1.825 7.147 44 HG23 VAL 6 2HG2 VAL 6 -1.796 -2.795 8.468 45 H VAL 7 H VAL 7 -3.017 -0.428 9.037 46 HA VAL 7 HA VAL 7 -3.812 -1.594 11.622 47 HB VAL 7 HB VAL 7 -4.351 0.772 11.628 48 HG11 VAL 7 1HG1 VAL 7 -5.954 1.739 10.043 49 HG12 VAL 7 2HG1 VAL 7 -5.960 0.227 9.136 50 HG13 VAL 7 3HG1 VAL 7 -4.485 1.186 9.238 51 HG21 VAL 7 3HG2 VAL 7 -6.835 -0.900 11.270 52 HG22 VAL 7 1HG2 VAL 7 -6.737 0.648 12.111 53 HG23 VAL 7 2HG2 VAL 7 -5.889 -0.760 12.753 54 H LYS 8 H LYS 8 -4.613 -1.250 8.191 55 HA LYS 8 HA LYS 8 -6.119 -3.771 8.394 56 HB2 LYS 8 2HB LYS 8 -7.624 -1.759 8.119 57 HB3 LYS 8 1HB LYS 8 -6.859 -1.476 6.561 58 HG2 LYS 8 2HG LYS 8 -8.980 -2.614 6.299 59 HG3 LYS 8 1HG LYS 8 -7.646 -3.641 5.774 60 HD2 LYS 8 2HD LYS 8 -7.723 -4.840 7.900 61 HD3 LYS 8 1HD LYS 8 -9.041 -3.802 8.444 62 HE2 LYS 8 2HE LYS 8 -9.190 -5.514 5.977 63 HE3 LYS 8 1HE LYS 8 -9.724 -6.060 7.567 64 HZ1 LYS 8 3HZ LYS 8 -11.394 -4.417 7.624 65 HZ2 LYS 8 1HZ LYS 8 -11.496 -5.134 6.093 66 HZ3 LYS 8 2HZ LYS 8 -10.778 -3.605 6.267 67 H THR 9 H THR 9 -5.970 -5.130 6.536 68 HA THR 9 HA THR 9 -4.078 -4.282 4.473 69 HB THR 9 HB THR 9 -3.764 -6.817 6.091 70 HG1 THR 9 1HG THR 9 -2.902 -4.391 6.567 71 HG21 THR 9 3HG2 THR 9 -1.764 -7.209 4.751 72 HG22 THR 9 1HG2 THR 9 -2.109 -5.767 3.796 73 HG23 THR 9 2HG2 THR 9 -3.198 -7.152 3.726 74 H TYR 10 H TYR 10 -5.159 -4.548 2.636 75 HA TYR 10 HA TYR 10 -7.110 -6.713 2.418 76 HB2 TYR 10 2HB TYR 10 -6.531 -4.667 0.283 77 HB3 TYR 10 1HB TYR 10 -7.987 -5.625 0.515 78 HD1 TYR 10 2HD TYR 10 -9.095 -5.225 2.927 79 HD2 TYR 10 1HD TYR 10 -6.706 -2.416 0.814 80 HE1 TYR 10 2HE TYR 10 -10.151 -3.409 4.185 81 HE2 TYR 10 1HE TYR 10 -7.754 -0.579 2.072 82 HH TYR 10 HH TYR 10 -9.677 -1.098 4.838 83 H ASP 11 H ASP 11 -6.866 -8.419 1.094 84 HA ASP 11 HA ASP 11 -4.247 -8.779 -0.141 85 HB2 ASP 11 2HB ASP 11 -5.557 -10.539 1.283 86 HB3 ASP 11 1HB ASP 11 -6.467 -10.795 -0.199 87 H LEU 12 H LEU 12 -3.945 -8.447 -2.253 88 HA LEU 12 HA LEU 12 -6.204 -7.547 -3.821 89 HB2 LEU 12 2HB LEU 12 -3.259 -7.376 -4.048 90 HB3 LEU 12 1HB LEU 12 -4.158 -7.370 -5.552 91 HG LEU 12 HG LEU 12 -3.840 -5.114 -5.053 92 HD11 LEU 12 1HD1 LEU 12 -6.032 -4.218 -4.642 93 HD12 LEU 12 2HD1 LEU 12 -6.549 -5.735 -3.903 94 HD13 LEU 12 3HD1 LEU 12 -6.170 -5.675 -5.626 95 HD21 LEU 12 3HD2 LEU 12 -3.051 -5.339 -2.763 96 HD22 LEU 12 1HD2 LEU 12 -4.702 -5.646 -2.216 97 HD23 LEU 12 2HD2 LEU 12 -4.277 -4.071 -2.894 98 H GLN 13 H GLN 13 -6.878 -8.384 -5.778 99 HA GLN 13 HA GLN 13 -7.114 -11.162 -5.890 100 HB2 GLN 13 2HB GLN 13 -7.575 -9.114 -8.063 101 HB3 GLN 13 1HB GLN 13 -8.102 -10.788 -8.143 102 HG2 GLN 13 2HG GLN 13 -8.978 -8.897 -5.982 103 HG3 GLN 13 1HG GLN 13 -9.841 -9.088 -7.504 104 HE21 GLN 13 1HE2 GLN 13 -11.682 -9.851 -6.518 105 HE22 GLN 13 2HE2 GLN 13 -11.779 -11.426 -5.813 106 H ASP 14 H ASP 14 -4.706 -9.082 -7.293 107 HA ASP 14 HA ASP 14 -3.919 -10.947 -9.351 108 HB2 ASP 14 2HB ASP 14 -2.319 -9.323 -10.013 109 HB3 ASP 14 1HB ASP 14 -3.738 -8.410 -9.507 110 H GLY 15 H GLY 15 -3.293 -10.667 -6.059 111 HA2 GLY 15 2HA GLY 15 -1.999 -12.452 -5.031 112 HA3 GLY 15 1HA GLY 15 -0.864 -12.314 -6.369 113 H SER 16 H SER 16 -1.618 -9.242 -5.786 114 HA SER 16 HA SER 16 0.696 -8.797 -4.103 115 HB2 SER 16 2HB SER 16 -1.221 -6.839 -5.400 116 HB3 SER 16 1HB SER 16 0.259 -6.403 -4.547 117 HG SER 16 HG SER 16 -0.087 -7.625 -7.048 118 H LYS 17 H LYS 17 0.183 -6.750 -2.514 119 HA LYS 17 HA LYS 17 -2.308 -7.200 -1.077 120 HB2 LYS 17 2HB LYS 17 -0.665 -8.859 -0.176 121 HB3 LYS 17 1HB LYS 17 0.384 -7.520 0.274 122 HG2 LYS 17 2HG LYS 17 -0.658 -7.448 2.217 123 HG3 LYS 17 1HG LYS 17 -2.104 -6.903 1.360 124 HD2 LYS 17 2HD LYS 17 -2.679 -8.806 2.701 125 HD3 LYS 17 1HD LYS 17 -2.716 -9.285 1.004 126 HE2 LYS 17 2HE LYS 17 -0.491 -10.275 1.239 127 HE3 LYS 17 1HE LYS 17 -0.451 -9.789 2.933 128 HZ1 LYS 17 3HZ LYS 17 -1.075 -12.104 2.700 129 HZ2 LYS 17 1HZ LYS 17 -2.394 -11.674 1.718 130 HZ3 LYS 17 2HZ LYS 17 -2.359 -11.206 3.348 131 H VAL 18 H VAL 18 -3.014 -5.333 -0.163 132 HA VAL 18 HA VAL 18 -1.114 -3.094 -0.191 133 HB VAL 18 HB VAL 18 -3.098 -2.733 -1.582 134 HG11 VAL 18 1HG1 VAL 18 -5.309 -2.404 -0.560 135 HG12 VAL 18 2HG1 VAL 18 -4.672 -3.012 0.970 136 HG13 VAL 18 3HG1 VAL 18 -4.742 -4.070 -0.439 137 HG21 VAL 18 3HG2 VAL 18 -3.837 -0.577 -0.557 138 HG22 VAL 18 1HG2 VAL 18 -2.089 -0.782 -0.707 139 HG23 VAL 18 2HG2 VAL 18 -2.877 -0.999 0.861 140 H HIS 19 H HIS 19 -0.383 -2.356 1.676 141 HA HIS 19 HA HIS 19 -1.756 -3.191 4.142 142 HB2 HIS 19 2HB HIS 19 0.924 -1.806 4.043 143 HB3 HIS 19 1HB HIS 19 0.248 -2.773 5.341 144 HD1 HIS 19 1HD HIS 19 -0.314 -5.433 3.998 145 HD2 HIS 19 2HD HIS 19 3.062 -3.131 3.227 146 HE1 HIS 19 1HE HIS 19 1.397 -7.045 3.052 147 HE2 HIS 19 2HE HIS 19 3.474 -5.641 2.741 148 H VAL 20 H VAL 20 -3.174 -1.759 4.882 149 HA VAL 20 HA VAL 20 -2.838 1.055 4.113 150 HB VAL 20 HB VAL 20 -5.315 0.159 5.474 151 HG11 VAL 20 1HG1 VAL 20 -4.767 1.863 3.047 152 HG12 VAL 20 2HG1 VAL 20 -5.019 2.455 4.693 153 HG13 VAL 20 3HG1 VAL 20 -6.333 1.654 3.833 154 HG21 VAL 20 3HG2 VAL 20 -6.251 -0.789 3.428 155 HG22 VAL 20 1HG2 VAL 20 -4.873 -1.733 3.991 156 HG23 VAL 20 2HG2 VAL 20 -4.687 -0.626 2.629 157 H PHE 21 H PHE 21 -2.211 2.478 5.534 158 HA PHE 21 HA PHE 21 -1.772 1.502 8.251 159 HB2 PHE 21 2HB PHE 21 -0.575 3.953 6.957 160 HB3 PHE 21 1HB PHE 21 -0.034 3.137 8.416 161 HD1 PHE 21 2HD PHE 21 0.785 0.670 8.131 162 HD2 PHE 21 1HD PHE 21 0.401 3.448 4.924 163 HE1 PHE 21 2HE PHE 21 2.341 -0.668 6.789 164 HE2 PHE 21 1HE PHE 21 1.957 2.104 3.576 165 HZ PHE 21 HZ PHE 21 2.932 0.046 4.506 166 H LYS 22 H LYS 22 -1.776 3.289 9.947 167 HA LYS 22 HA LYS 22 -4.413 4.304 10.181 168 HB2 LYS 22 2HB LYS 22 -1.918 4.708 11.823 169 HB3 LYS 22 1HB LYS 22 -3.479 5.380 12.273 170 HG2 LYS 22 2HG LYS 22 -4.427 3.211 12.528 171 HG3 LYS 22 1HG LYS 22 -3.000 2.445 11.828 172 HD2 LYS 22 2HD LYS 22 -2.953 4.058 14.373 173 HD3 LYS 22 1HD LYS 22 -3.157 2.306 14.329 174 HE2 LYS 22 2HE LYS 22 -1.004 2.117 13.140 175 HE3 LYS 22 1HE LYS 22 -0.799 3.862 13.269 176 HZ1 LYS 22 3HZ LYS 22 0.402 2.575 14.986 177 HZ2 LYS 22 1HZ LYS 22 -1.086 2.045 15.600 178 HZ3 LYS 22 2HZ LYS 22 -0.695 3.697 15.630 179 H ASP 23 H ASP 23 -1.872 5.469 8.444 180 HA ASP 23 HA ASP 23 -2.209 8.278 8.790 181 HB2 ASP 23 2HB ASP 23 -1.176 6.736 6.395 182 HB3 ASP 23 1HB ASP 23 -1.003 8.468 6.650 183 H GLY 24 H GLY 24 -4.023 5.820 7.326 184 HA2 GLY 24 2HA GLY 24 -6.130 6.062 6.303 185 HA3 GLY 24 1HA GLY 24 -5.752 7.751 5.971 186 H LYS 25 H LYS 25 -3.017 6.490 5.167 187 HA LYS 25 HA LYS 25 -3.742 6.074 2.377 188 HB2 LYS 25 2HB LYS 25 -1.187 6.966 3.711 189 HB3 LYS 25 1HB LYS 25 -1.262 6.510 2.013 190 HG2 LYS 25 2HG LYS 25 -1.455 8.839 2.036 191 HG3 LYS 25 1HG LYS 25 -3.085 8.231 1.777 192 HD2 LYS 25 2HD LYS 25 -3.356 8.447 4.320 193 HD3 LYS 25 1HD LYS 25 -1.912 9.463 4.239 194 HE2 LYS 25 2HE LYS 25 -3.808 10.903 4.123 195 HE3 LYS 25 1HE LYS 25 -3.085 10.846 2.516 196 HZ1 LYS 25 3HZ LYS 25 -4.788 9.120 1.948 197 HZ2 LYS 25 1HZ LYS 25 -5.430 10.660 2.274 198 HZ3 LYS 25 2HZ LYS 25 -5.536 9.441 3.440 199 H MET 26 H MET 26 -1.705 4.727 1.350 200 HA MET 26 HA MET 26 -1.937 2.149 2.754 201 HB2 MET 26 2HB MET 26 -2.082 2.577 -0.230 202 HB3 MET 26 1HB MET 26 -2.355 1.073 0.638 203 HG2 MET 26 2HG MET 26 -4.348 1.974 1.651 204 HG3 MET 26 1HG MET 26 -4.060 3.536 0.894 205 HE1 MET 26 3HE MET 26 -7.148 2.497 -1.110 206 HE2 MET 26 1HE MET 26 -6.252 3.869 -0.447 207 HE3 MET 26 2HE MET 26 -6.787 2.561 0.615 208 H GLY 27 H GLY 27 -0.497 0.494 1.533 209 HA2 GLY 27 2HA GLY 27 1.987 1.666 0.528 210 HA3 GLY 27 1HA GLY 27 2.075 0.565 1.899 211 H MET 28 H MET 28 2.742 0.554 -1.167 212 HA MET 28 HA MET 28 1.143 -1.729 -1.987 213 HB2 MET 28 2HB MET 28 2.112 0.501 -3.334 214 HB3 MET 28 1HB MET 28 3.101 -0.832 -3.919 215 HG2 MET 28 2HG MET 28 1.130 -0.479 -5.307 216 HG3 MET 28 1HG MET 28 1.122 -2.068 -4.541 217 HE1 MET 28 3HE MET 28 -1.119 -2.957 -4.063 218 HE2 MET 28 1HE MET 28 -2.110 -2.257 -2.776 219 HE3 MET 28 2HE MET 28 -0.434 -2.711 -2.455 220 H GLU 29 H GLU 29 1.851 -3.702 -2.117 221 HA GLU 29 HA GLU 29 4.640 -4.391 -2.351 222 HB2 GLU 29 2HB GLU 29 4.419 -3.962 0.063 223 HB3 GLU 29 1HB GLU 29 3.036 -5.038 0.135 224 HG2 GLU 29 2HG GLU 29 4.702 -6.817 -0.735 225 HG3 GLU 29 1HG GLU 29 5.927 -5.683 -0.160 226 H ASN 30 H ASN 30 4.803 -6.505 -3.245 227 HA ASN 30 HA ASN 30 2.309 -7.948 -3.585 228 HB2 ASN 30 2HB ASN 30 3.596 -9.652 -4.752 229 HB3 ASN 30 1HB ASN 30 3.975 -8.072 -5.394 230 HD21 ASN 30 1HD2 ASN 30 5.185 -10.907 -4.009 231 HD22 ASN 30 2HD2 ASN 30 6.836 -10.425 -3.884 232 H LYS 31 H LYS 31 2.006 -10.075 -2.643 233 HA LYS 31 HA LYS 31 1.966 -9.600 0.081 234 HB2 LYS 31 2HB LYS 31 0.785 -11.589 0.306 235 HB3 LYS 31 1HB LYS 31 0.491 -11.126 -1.363 236 HG2 LYS 31 2HG LYS 31 0.933 -13.349 -1.620 237 HG3 LYS 31 1HG LYS 31 2.559 -12.686 -1.817 238 HD2 LYS 31 2HD LYS 31 3.008 -14.314 -0.278 239 HD3 LYS 31 1HD LYS 31 2.598 -12.980 0.812 240 HE2 LYS 31 2HE LYS 31 0.241 -13.845 0.809 241 HE3 LYS 31 1HE LYS 31 0.836 -15.263 -0.059 242 HZ1 LYS 31 3HZ LYS 31 1.717 -14.367 2.632 243 HZ2 LYS 31 1HZ LYS 31 2.335 -15.706 1.799 244 HZ3 LYS 31 2HZ LYS 31 0.718 -15.695 2.300 245 H PHE 32 H PHE 32 4.572 -10.945 -1.659 246 HA PHE 32 HA PHE 32 5.636 -12.431 0.602 247 HB2 PHE 32 2HB PHE 32 6.623 -12.049 -2.225 248 HB3 PHE 32 1HB PHE 32 7.503 -12.958 -1.000 249 HD1 PHE 32 2HD PHE 32 6.469 -15.016 -0.026 250 HD2 PHE 32 1HD PHE 32 4.803 -12.995 -3.380 251 HE1 PHE 32 2HE PHE 32 5.171 -17.030 -0.594 252 HE2 PHE 32 1HE PHE 32 3.504 -15.003 -3.952 253 HZ PHE 32 HZ PHE 32 3.652 -17.015 -2.511 254 H GLY 33 H GLY 33 5.486 -9.296 0.116 255 HA2 GLY 33 2HA GLY 33 6.682 -7.521 0.939 256 HA3 GLY 33 1HA GLY 33 7.670 -8.693 1.800 257 H LYS 34 H LYS 34 7.296 -8.541 -1.691 258 HA LYS 34 HA LYS 34 10.163 -7.953 -1.889 259 HB2 LYS 34 2HB LYS 34 9.178 -10.015 -2.994 260 HB3 LYS 34 1HB LYS 34 8.338 -8.929 -4.089 261 HG2 LYS 34 2HG LYS 34 10.377 -9.844 -5.081 262 HG3 LYS 34 1HG LYS 34 10.452 -8.089 -4.926 263 HD2 LYS 34 2HD LYS 34 12.566 -9.201 -4.280 264 HD3 LYS 34 1HD LYS 34 11.848 -8.283 -2.954 265 HE2 LYS 34 2HE LYS 34 10.922 -10.355 -2.030 266 HE3 LYS 34 1HE LYS 34 11.636 -11.266 -3.359 267 HZ1 LYS 34 3HZ LYS 34 13.208 -9.649 -1.427 268 HZ2 LYS 34 1HZ LYS 34 13.811 -10.719 -2.598 269 HZ3 LYS 34 2HZ LYS 34 12.938 -11.316 -1.271 270 H SER 35 H SER 35 10.858 -6.441 -3.586 271 HA SER 35 HA SER 35 9.474 -3.995 -3.439 272 HB2 SER 35 2HB SER 35 11.614 -4.761 -5.434 273 HB3 SER 35 1HB SER 35 11.192 -3.131 -4.903 274 HG SER 35 HG SER 35 12.571 -3.410 -3.360 275 H MET 36 H MET 36 7.778 -3.324 -4.526 276 HA MET 36 HA MET 36 7.390 -4.200 -7.297 277 HB2 MET 36 2HB MET 36 5.018 -4.569 -6.931 278 HB3 MET 36 1HB MET 36 5.929 -5.571 -5.809 279 HG2 MET 36 2HG MET 36 4.605 -4.755 -4.234 280 HG3 MET 36 1HG MET 36 5.540 -3.268 -4.380 281 HE1 MET 36 3HE MET 36 2.574 -5.109 -6.350 282 HE2 MET 36 1HE MET 36 1.267 -4.041 -5.825 283 HE3 MET 36 2HE MET 36 2.189 -4.963 -4.634 284 H ASN 37 H ASN 37 5.728 -2.745 -8.398 285 HA ASN 37 HA ASN 37 5.854 -0.021 -7.291 286 HB2 ASN 37 2HB ASN 37 6.556 -0.718 -10.156 287 HB3 ASN 37 1HB ASN 37 6.576 0.886 -9.433 288 HD21 ASN 37 1HD2 ASN 37 8.175 -2.188 -9.643 289 HD22 ASN 37 2HD2 ASN 37 9.666 -1.697 -8.921 290 H MET 38 H MET 38 3.812 0.694 -7.174 291 HA MET 38 HA MET 38 2.110 0.239 -9.518 292 HB2 MET 38 2HB MET 38 1.257 -1.209 -7.740 293 HB3 MET 38 1HB MET 38 1.138 0.170 -6.650 294 HG2 MET 38 2HG MET 38 -0.480 1.211 -8.149 295 HG3 MET 38 1HG MET 38 -0.354 -0.157 -9.243 296 HE1 MET 38 3HE MET 38 -1.823 -2.976 -6.728 297 HE2 MET 38 1HE MET 38 -0.143 -2.427 -6.722 298 HE3 MET 38 2HE MET 38 -0.963 -2.753 -8.252 299 HA PRO 39 HA PRO 39 1.797 4.695 -9.213 300 HB2 PRO 39 2HB PRO 39 0.507 5.042 -11.538 301 HB3 PRO 39 1HB PRO 39 2.226 4.620 -11.496 302 HG2 PRO 39 2HG PRO 39 -0.146 2.841 -11.938 303 HG3 PRO 39 1HG PRO 39 1.383 2.900 -12.835 304 HD2 PRO 39 2HD PRO 39 0.870 1.069 -10.893 305 HD3 PRO 39 1HD PRO 39 2.501 1.672 -11.251 306 H GLU 40 H GLU 40 -0.211 6.179 -9.777 307 HA GLU 40 HA GLU 40 -2.431 5.146 -8.204 308 HB2 GLU 40 2HB GLU 40 -3.241 7.453 -8.216 309 HB3 GLU 40 1HB GLU 40 -1.567 7.373 -7.687 310 HG2 GLU 40 2HG GLU 40 -0.826 8.104 -9.883 311 HG3 GLU 40 1HG GLU 40 -2.499 8.155 -10.439 312 H GLY 41 H GLY 41 -4.673 5.698 -8.953 313 HA2 GLY 41 2HA GLY 41 -6.336 5.726 -10.574 314 HA3 GLY 41 1HA GLY 41 -5.101 5.763 -11.819 315 H LYS 42 H LYS 42 -4.160 3.424 -9.808 316 HA LYS 42 HA LYS 42 -5.040 1.284 -11.482 317 HB2 LYS 42 2HB LYS 42 -3.477 1.433 -8.915 318 HB3 LYS 42 1HB LYS 42 -3.944 -0.108 -9.619 319 HG2 LYS 42 2HG LYS 42 -2.483 1.890 -11.283 320 HG3 LYS 42 1HG LYS 42 -1.604 0.903 -10.112 321 HD2 LYS 42 2HD LYS 42 -2.572 -1.122 -11.164 322 HD3 LYS 42 1HD LYS 42 -3.314 -0.090 -12.391 323 HE2 LYS 42 2HE LYS 42 -1.104 0.693 -13.073 324 HE3 LYS 42 1HE LYS 42 -0.359 -0.310 -11.832 325 HZ1 LYS 42 3HZ LYS 42 -0.185 -1.466 -13.867 326 HZ2 LYS 42 1HZ LYS 42 -1.821 -1.218 -14.250 327 HZ3 LYS 42 2HZ LYS 42 -1.395 -2.255 -12.978 328 H VAL 43 H VAL 43 -6.894 0.238 -11.333 329 HA VAL 43 HA VAL 43 -8.672 0.573 -9.101 330 HB VAL 43 HB VAL 43 -8.849 -1.363 -11.417 331 HG11 VAL 43 1HG1 VAL 43 -11.236 -1.480 -10.839 332 HG12 VAL 43 2HG1 VAL 43 -10.934 -0.461 -9.430 333 HG13 VAL 43 3HG1 VAL 43 -10.208 -2.067 -9.531 334 HG21 VAL 43 3HG2 VAL 43 -8.801 0.961 -12.164 335 HG22 VAL 43 1HG2 VAL 43 -10.117 1.354 -11.057 336 HG23 VAL 43 2HG2 VAL 43 -10.396 0.251 -12.405 337 H MET 44 H MET 44 -7.695 -0.241 -7.276 338 HA MET 44 HA MET 44 -6.598 -2.936 -7.305 339 HB2 MET 44 2HB MET 44 -6.979 -0.998 -5.007 340 HB3 MET 44 1HB MET 44 -6.079 -2.505 -4.942 341 HG2 MET 44 2HG MET 44 -4.495 -1.602 -6.591 342 HG3 MET 44 1HG MET 44 -5.381 -0.078 -6.581 343 HE1 MET 44 3HE MET 44 -6.074 0.579 -3.636 344 HE2 MET 44 1HE MET 44 -5.226 1.714 -4.686 345 HE3 MET 44 2HE MET 44 -4.608 1.378 -3.070 346 H GLU 45 H GLU 45 -8.206 -4.403 -7.522 347 HA GLU 45 HA GLU 45 -10.526 -4.146 -5.765 348 HB2 GLU 45 2HB GLU 45 -10.940 -4.685 -8.143 349 HB3 GLU 45 1HB GLU 45 -10.013 -6.168 -7.951 350 HG2 GLU 45 2HG GLU 45 -11.641 -6.924 -6.262 351 HG3 GLU 45 1HG GLU 45 -12.572 -5.458 -6.530 352 H THR 46 H THR 46 -10.498 -5.077 -3.896 353 HA THR 46 HA THR 46 -8.393 -6.861 -3.137 354 HB THR 46 HB THR 46 -9.256 -6.733 -0.924 355 HG1 THR 46 1HG THR 46 -11.331 -6.458 -0.487 356 HG21 THR 46 3HG2 THR 46 -9.789 -4.119 -2.344 357 HG22 THR 46 1HG2 THR 46 -8.247 -4.659 -1.681 358 HG23 THR 46 2HG2 THR 46 -9.595 -4.306 -0.601 359 H ARG 47 H ARG 47 -8.897 -8.963 -1.994 360 HA ARG 47 HA ARG 47 -10.435 -10.650 -3.671 361 HB2 ARG 47 2HB ARG 47 -9.206 -11.132 -0.961 362 HB3 ARG 47 1HB ARG 47 -10.019 -12.381 -1.892 363 HG2 ARG 47 2HG ARG 47 -8.374 -11.803 -3.763 364 HG3 ARG 47 1HG ARG 47 -7.466 -10.942 -2.518 365 HD2 ARG 47 2HD ARG 47 -6.625 -13.214 -2.804 366 HD3 ARG 47 1HD ARG 47 -7.322 -12.991 -1.199 367 HE ARG 47 HE ARG 47 -9.394 -13.982 -2.625 368 HH11 ARG 47 1HH1 ARG 47 -6.099 -15.086 -2.119 369 HH12 ARG 47 2HH1 ARG 47 -6.499 -16.761 -2.361 370 HH21 ARG 47 1HH2 ARG 47 -9.914 -16.156 -2.935 371 HH22 ARG 47 2HH2 ARG 47 -8.683 -17.378 -2.785 372 H ASP 48 H ASP 48 -11.433 -8.506 -1.354 373 HA ASP 48 HA ASP 48 -13.763 -9.999 -0.464 374 HB2 ASP 48 2HB ASP 48 -13.315 -7.029 -0.139 375 HB3 ASP 48 1HB ASP 48 -14.308 -8.093 0.851 376 H GLY 49 H GLY 49 -12.829 -8.450 -3.222 377 HA2 GLY 49 2HA GLY 49 -14.053 -7.911 -5.115 378 HA3 GLY 49 1HA GLY 49 -15.532 -8.159 -4.199 379 H THR 50 H THR 50 -12.841 -6.065 -3.355 380 HA THR 50 HA THR 50 -14.697 -3.776 -3.420 381 HB THR 50 HB THR 50 -12.169 -4.054 -1.780 382 HG1 THR 50 1HG THR 50 -13.928 -5.582 -1.264 383 HG21 THR 50 3HG2 THR 50 -12.915 -1.749 -2.184 384 HG22 THR 50 1HG2 THR 50 -13.121 -2.193 -0.491 385 HG23 THR 50 2HG2 THR 50 -14.515 -2.155 -1.568 386 H LYS 51 H LYS 51 -14.335 -2.501 -5.109 387 HA LYS 51 HA LYS 51 -11.720 -2.399 -6.334 388 HB2 LYS 51 2HB LYS 51 -14.431 -1.384 -7.055 389 HB3 LYS 51 1HB LYS 51 -13.017 -0.690 -7.809 390 HG2 LYS 51 2HG LYS 51 -12.372 -3.028 -8.470 391 HG3 LYS 51 1HG LYS 51 -13.983 -3.521 -7.929 392 HD2 LYS 51 2HD LYS 51 -14.963 -1.867 -9.482 393 HD3 LYS 51 1HD LYS 51 -13.334 -1.488 -10.057 394 HE2 LYS 51 2HE LYS 51 -14.387 -3.028 -11.577 395 HE3 LYS 51 1HE LYS 51 -13.068 -3.837 -10.732 396 HZ1 LYS 51 3HZ LYS 51 -15.311 -5.037 -10.999 397 HZ2 LYS 51 1HZ LYS 51 -15.833 -4.046 -9.728 398 HZ3 LYS 51 2HZ LYS 51 -14.522 -5.105 -9.499 399 H ILE 52 H ILE 52 -10.313 -1.249 -5.225 400 HA ILE 52 HA ILE 52 -11.095 1.408 -4.241 401 HB ILE 52 HB ILE 52 -8.768 -0.358 -3.457 402 HG12 ILE 52 2HG1 ILE 52 -11.223 0.457 -1.888 403 HG13 ILE 52 1HG1 ILE 52 -10.999 -1.108 -2.660 404 HG21 ILE 52 1HG2 ILE 52 -8.239 1.278 -1.770 405 HG22 ILE 52 2HG2 ILE 52 -9.611 2.274 -2.258 406 HG23 ILE 52 3HG2 ILE 52 -8.247 2.058 -3.354 407 HD11 ILE 52 3HD1 ILE 52 -10.550 -1.226 -0.283 408 HD12 ILE 52 1HD1 ILE 52 -9.314 0.021 -0.440 409 HD13 ILE 52 2HD1 ILE 52 -9.088 -1.547 -1.215 410 H ILE 53 H ILE 53 -10.588 2.947 -5.682 411 HA ILE 53 HA ILE 53 -8.445 2.620 -7.570 412 HB ILE 53 HB ILE 53 -10.320 4.907 -6.983 413 HG12 ILE 53 2HG1 ILE 53 -10.899 4.504 -9.417 414 HG13 ILE 53 1HG1 ILE 53 -9.882 3.071 -9.343 415 HG21 ILE 53 1HG2 ILE 53 -8.190 5.943 -7.483 416 HG22 ILE 53 2HG2 ILE 53 -9.285 6.143 -8.852 417 HG23 ILE 53 3HG2 ILE 53 -8.002 4.934 -8.922 418 HD11 ILE 53 3HD1 ILE 53 -11.327 2.150 -7.598 419 HD12 ILE 53 1HD1 ILE 53 -12.211 2.487 -9.087 420 HD13 ILE 53 2HD1 ILE 53 -12.356 3.578 -7.709 421 H MET 54 H MET 54 -6.420 2.966 -7.167 422 HA MET 54 HA MET 54 -5.562 4.268 -4.754 423 HB2 MET 54 2HB MET 54 -4.452 2.292 -6.041 424 HB3 MET 54 1HB MET 54 -3.747 3.558 -7.040 425 HG2 MET 54 2HG MET 54 -2.750 4.566 -5.062 426 HG3 MET 54 1HG MET 54 -3.463 3.318 -4.057 427 HE1 MET 54 3HE MET 54 0.320 2.409 -3.904 428 HE2 MET 54 1HE MET 54 -1.140 2.773 -2.983 429 HE3 MET 54 2HE MET 54 -0.375 4.030 -3.956 430 H LYS 55 H LYS 55 -4.391 6.250 -4.627 431 HA LYS 55 HA LYS 55 -4.543 7.941 -7.023 432 HB2 LYS 55 2HB LYS 55 -5.640 8.607 -4.294 433 HB3 LYS 55 1HB LYS 55 -5.343 9.816 -5.533 434 HG2 LYS 55 2HG LYS 55 -7.222 7.480 -5.810 435 HG3 LYS 55 1HG LYS 55 -7.692 9.133 -5.400 436 HD2 LYS 55 2HD LYS 55 -6.530 9.812 -7.570 437 HD3 LYS 55 1HD LYS 55 -6.539 8.095 -7.974 438 HE2 LYS 55 2HE LYS 55 -8.465 9.194 -8.958 439 HE3 LYS 55 1HE LYS 55 -8.981 8.061 -7.708 440 HZ1 LYS 55 3HZ LYS 55 -10.158 10.197 -7.593 441 HZ2 LYS 55 1HZ LYS 55 -8.682 10.991 -7.321 442 HZ3 LYS 55 2HZ LYS 55 -9.273 9.886 -6.180 443 H GLY 56 H GLY 56 -3.427 10.144 -6.517 444 HA2 GLY 56 2HA GLY 56 -0.783 9.684 -5.591 445 HA3 GLY 56 1HA GLY 56 -1.491 11.255 -5.948 446 H ASN 57 H ASN 57 -3.655 11.119 -4.151 447 HA ASN 57 HA ASN 57 -2.519 11.845 -1.678 448 HB2 ASN 57 2HB ASN 57 -4.917 11.592 -0.826 449 HB3 ASN 57 1HB ASN 57 -4.660 12.743 -2.131 450 HD21 ASN 57 1HD2 ASN 57 -6.029 9.636 -1.260 451 HD22 ASN 57 2HD2 ASN 57 -6.973 9.449 -2.703 452 H GLU 58 H GLU 58 -3.475 8.808 -3.006 453 HA GLU 58 HA GLU 58 -3.069 7.511 -0.407 454 HB2 GLU 58 2HB GLU 58 -5.036 7.106 -2.402 455 HB3 GLU 58 1HB GLU 58 -4.012 5.674 -2.377 456 HG2 GLU 58 2HG GLU 58 -5.786 5.320 -0.839 457 HG3 GLU 58 1HG GLU 58 -4.297 5.601 0.077 458 H ILE 59 H ILE 59 -0.777 8.238 -1.245 459 HA ILE 59 HA ILE 59 0.331 6.485 -3.192 460 HB ILE 59 HB ILE 59 1.095 8.870 -2.815 461 HG12 ILE 59 2HG1 ILE 59 3.231 6.733 -2.674 462 HG13 ILE 59 1HG1 ILE 59 2.386 7.232 -4.134 463 HG21 ILE 59 1HG2 ILE 59 2.790 9.222 -1.053 464 HG22 ILE 59 2HG2 ILE 59 2.429 7.617 -0.416 465 HG23 ILE 59 3HG2 ILE 59 1.190 8.875 -0.398 466 HD11 ILE 59 3HD1 ILE 59 4.218 8.935 -2.458 467 HD12 ILE 59 1HD1 ILE 59 3.333 9.486 -3.883 468 HD13 ILE 59 2HD1 ILE 59 4.573 8.243 -4.042 469 H PHE 60 H PHE 60 2.105 5.041 -2.799 470 HA PHE 60 HA PHE 60 1.447 3.319 -0.617 471 HB2 PHE 60 2HB PHE 60 3.139 1.813 -1.622 472 HB3 PHE 60 1HB PHE 60 1.909 2.339 -2.759 473 HD1 PHE 60 2HD PHE 60 2.487 4.091 -4.448 474 HD2 PHE 60 1HD PHE 60 5.428 2.234 -1.985 475 HE1 PHE 60 2HE PHE 60 4.249 4.849 -5.989 476 HE2 PHE 60 1HE PHE 60 7.193 2.996 -3.521 477 HZ PHE 60 HZ PHE 60 6.610 4.252 -5.544 478 H ARG 61 H ARG 61 4.040 5.544 -1.313 479 HA ARG 61 HA ARG 61 5.929 6.171 -0.230 480 HB2 ARG 61 2HB ARG 61 4.502 5.003 2.165 481 HB3 ARG 61 1HB ARG 61 5.989 5.936 2.257 482 HG2 ARG 61 2HG ARG 61 4.833 7.875 1.308 483 HG3 ARG 61 1HG ARG 61 3.343 6.932 1.215 484 HD2 ARG 61 2HD ARG 61 4.851 7.598 3.740 485 HD3 ARG 61 1HD ARG 61 3.373 8.382 3.186 486 HE ARG 61 HE ARG 61 2.963 5.600 3.364 487 HH11 ARG 61 1HH1 ARG 61 3.375 8.417 5.419 488 HH12 ARG 61 2HH1 ARG 61 2.450 7.743 6.726 489 HH21 ARG 61 1HH2 ARG 61 1.750 4.727 5.107 490 HH22 ARG 61 2HH2 ARG 61 1.525 5.663 6.558 491 H LEU 62 H LEU 62 5.346 3.324 1.777 492 HA LEU 62 HA LEU 62 6.597 1.505 2.261 493 HB2 LEU 62 2HB LEU 62 6.095 1.518 -0.510 494 HB3 LEU 62 1HB LEU 62 7.750 0.977 -0.311 495 HG LEU 62 HG LEU 62 6.134 -0.887 -0.398 496 HD11 LEU 62 1HD1 LEU 62 8.222 -1.244 0.749 497 HD12 LEU 62 2HD1 LEU 62 6.925 -2.065 1.623 498 HD13 LEU 62 3HD1 LEU 62 7.568 -0.540 2.229 499 HD21 LEU 62 3HD2 LEU 62 4.620 -1.280 1.466 500 HD22 LEU 62 1HD2 LEU 62 4.243 0.245 0.669 501 HD23 LEU 62 2HD2 LEU 62 5.109 0.245 2.205 502 H ASP 63 H ASP 63 8.143 2.294 3.569 503 HA ASP 63 HA ASP 63 10.316 3.878 2.798 504 HB2 ASP 63 2HB ASP 63 11.242 3.352 5.032 505 HB3 ASP 63 1HB ASP 63 9.551 3.836 5.093 506 H GLU 64 H GLU 64 9.953 0.394 2.878 507 HA GLU 64 HA GLU 64 12.757 -0.163 2.683 508 HB2 GLU 64 2HB GLU 64 11.053 -1.781 3.566 509 HB3 GLU 64 1HB GLU 64 10.466 -1.979 1.922 510 HG2 GLU 64 2HG GLU 64 12.679 -2.793 1.243 511 HG3 GLU 64 1HG GLU 64 13.234 -2.636 2.908 512 H ALA 65 H ALA 65 10.098 0.194 0.403 513 HA ALA 65 HA ALA 65 11.500 -0.741 -1.878 514 HB1 ALA 65 1HB ALA 65 9.670 0.205 -3.165 515 HB2 ALA 65 2HB ALA 65 9.132 1.120 -1.756 516 HB3 ALA 65 3HB ALA 65 9.043 -0.642 -1.748 517 H LEU 66 H LEU 66 11.379 2.265 -0.198 518 HA LEU 66 HA LEU 66 12.420 3.843 -2.358 519 HB2 LEU 66 2HB LEU 66 12.096 4.454 0.580 520 HB3 LEU 66 1HB LEU 66 12.544 5.611 -0.648 521 HG LEU 66 HG LEU 66 9.915 4.145 -0.527 522 HD11 LEU 66 1HD1 LEU 66 8.992 6.366 0.019 523 HD12 LEU 66 2HD1 LEU 66 10.637 6.999 0.129 524 HD13 LEU 66 3HD1 LEU 66 10.089 5.759 1.259 525 HD21 LEU 66 3HD2 LEU 66 10.573 4.648 -2.813 526 HD22 LEU 66 1HD2 LEU 66 10.882 6.328 -2.371 527 HD23 LEU 66 2HD2 LEU 66 9.238 5.687 -2.313 528 H ARG 67 H ARG 67 13.794 1.582 -0.370 529 HA ARG 67 HA ARG 67 16.326 2.965 -0.042 530 HB2 ARG 67 2HB ARG 67 15.457 0.173 0.725 531 HB3 ARG 67 1HB ARG 67 17.061 0.830 1.033 532 HG2 ARG 67 2HG ARG 67 14.494 2.003 2.086 533 HG3 ARG 67 1HG ARG 67 15.569 0.939 2.995 534 HD2 ARG 67 2HD ARG 67 17.123 2.556 3.308 535 HD3 ARG 67 1HD ARG 67 16.819 3.300 1.741 536 HE ARG 67 HE ARG 67 14.586 3.906 3.121 537 HH11 ARG 67 1HH1 ARG 67 17.973 4.192 3.977 538 HH12 ARG 67 2HH1 ARG 67 17.748 5.674 4.862 539 HH21 ARG 67 1HH2 ARG 67 14.284 5.834 4.252 540 HH22 ARG 67 2HH2 ARG 67 15.642 6.624 5.010 541 H LYS 68 H LYS 68 16.745 3.292 -2.242 542 HA LYS 68 HA LYS 68 17.456 0.896 -3.790 543 HB2 LYS 68 2HB LYS 68 15.818 2.495 -4.790 544 HB3 LYS 68 1HB LYS 68 17.061 3.736 -4.752 545 HG2 LYS 68 2HG LYS 68 18.455 2.228 -6.206 546 HG3 LYS 68 1HG LYS 68 17.020 1.217 -6.389 547 HD2 LYS 68 2HD LYS 68 15.801 3.225 -7.226 548 HD3 LYS 68 1HD LYS 68 17.325 4.110 -7.191 549 HE2 LYS 68 2HE LYS 68 16.670 1.681 -8.845 550 HE3 LYS 68 1HE LYS 68 16.905 3.328 -9.429 551 HZ1 LYS 68 3HZ LYS 68 19.229 3.133 -8.495 552 HZ2 LYS 68 1HZ LYS 68 18.891 2.186 -9.861 553 HZ3 LYS 68 2HZ LYS 68 18.932 1.470 -8.326 554 H GLY 69 H GLY 69 18.570 4.194 -3.062 555 HA2 GLY 69 2HA GLY 69 20.827 4.513 -2.226 556 HA3 GLY 69 1HA GLY 69 21.337 3.191 -3.265 557 H HIS 70 H HIS 70 21.526 6.385 -2.912 558 HA HIS 70 HA HIS 70 22.633 6.831 -5.457 559 HB2 HIS 70 2HB HIS 70 21.081 8.364 -6.464 560 HB3 HIS 70 1HB HIS 70 20.194 6.895 -6.090 561 HD1 HIS 70 1HD HIS 70 18.431 7.044 -4.145 562 HD2 HIS 70 2HD HIS 70 20.205 10.656 -5.187 563 HE1 HIS 70 1HE HIS 70 17.032 8.823 -3.063 564 HE2 HIS 70 2HE HIS 70 18.270 10.973 -3.501 565 H SER 71 H SER 71 22.885 7.214 -2.476 566 HA SER 71 HA SER 71 22.834 10.101 -2.143 567 HB2 SER 71 2HB SER 71 21.976 8.566 -0.361 568 HB3 SER 71 1HB SER 71 23.615 7.955 -0.148 569 HG SER 71 HG SER 71 23.787 9.541 1.219 570 H GLU 72 H GLU 72 24.521 11.209 -2.825 571 HA GLU 72 HA GLU 72 27.179 9.989 -2.850 572 HB2 GLU 72 2HB GLU 72 26.229 12.634 -3.976 573 HB3 GLU 72 1HB GLU 72 27.808 11.904 -4.241 574 HG2 GLU 72 2HG GLU 72 26.825 10.097 -5.478 575 HG3 GLU 72 1HG GLU 72 25.200 10.669 -5.099 576 H GLY 73 H GLY 73 25.279 12.469 -1.336 577 HA2 GLY 73 2HA GLY 73 27.559 13.083 0.446 578 HA3 GLY 73 1HA GLY 73 26.326 14.261 0.012 579 H GLY 74 H GLY 74 26.804 11.149 1.615 580 HA2 GLY 74 2HA GLY 74 25.743 11.584 4.017 581 HA3 GLY 74 1HA GLY 74 24.285 11.429 3.043 Start of MODEL 17 1 H1 VAL 1 1HT VAL 1 9.173 0.953 8.440 2 H2 VAL 1 2HT VAL 1 8.491 1.432 6.970 3 H3 VAL 1 3HT VAL 1 9.301 -0.054 7.081 4 HA VAL 1 HA VAL 1 6.770 0.694 8.413 5 HB VAL 1 HB VAL 1 7.350 -1.334 6.238 6 HG11 VAL 1 2HG1 VAL 1 4.741 -0.680 7.611 7 HG12 VAL 1 3HG1 VAL 1 5.677 -2.159 7.831 8 HG13 VAL 1 1HG1 VAL 1 4.954 -1.798 6.262 9 HG21 VAL 1 1HG2 VAL 1 5.822 0.049 4.893 10 HG22 VAL 1 2HG2 VAL 1 7.262 0.937 5.391 11 HG23 VAL 1 3HG2 VAL 1 5.729 1.210 6.217 12 H ASP 2 H ASP 2 6.305 -0.342 10.186 13 HA ASP 2 HA ASP 2 8.050 -2.540 11.034 14 HB2 ASP 2 2HB ASP 2 7.095 -1.868 13.337 15 HB3 ASP 2 1HB ASP 2 8.259 -0.783 12.580 16 H MET 3 H MET 3 5.216 -2.233 9.645 17 HA MET 3 HA MET 3 3.192 -3.242 9.590 18 HB2 MET 3 2HB MET 3 4.797 -5.427 10.913 19 HB3 MET 3 1HB MET 3 3.176 -5.644 10.269 20 HG2 MET 3 2HG MET 3 5.267 -4.525 8.484 21 HG3 MET 3 1HG MET 3 5.318 -6.238 8.867 22 HE1 MET 3 3HE MET 3 3.494 -3.381 6.961 23 HE2 MET 3 1HE MET 3 2.329 -3.699 8.245 24 HE3 MET 3 2HE MET 3 1.930 -4.099 6.573 25 H SER 4 H SER 4 4.192 -1.872 12.228 26 HA SER 4 HA SER 4 2.047 -2.853 13.967 27 HB2 SER 4 2HB SER 4 4.306 -2.453 14.955 28 HB3 SER 4 1HB SER 4 4.168 -0.755 14.511 29 HG SER 4 HG SER 4 3.558 -1.438 16.742 30 H ASN 5 H ASN 5 3.143 -0.137 12.087 31 HA ASN 5 HA ASN 5 1.073 1.665 12.868 32 HB2 ASN 5 2HB ASN 5 3.141 1.641 10.707 33 HB3 ASN 5 1HB ASN 5 1.836 2.820 10.659 34 HD21 ASN 5 1HD2 ASN 5 4.656 1.724 12.390 35 HD22 ASN 5 2HD2 ASN 5 4.859 3.168 13.322 36 H VAL 6 H VAL 6 1.059 -1.020 10.800 37 HA VAL 6 HA VAL 6 -0.917 0.015 8.977 38 HB VAL 6 HB VAL 6 0.596 -1.693 8.153 39 HG11 VAL 6 1HG1 VAL 6 0.516 -3.994 8.964 40 HG12 VAL 6 2HG1 VAL 6 -0.598 -3.503 10.241 41 HG13 VAL 6 3HG1 VAL 6 1.047 -2.869 10.214 42 HG21 VAL 6 3HG2 VAL 6 -2.215 -2.762 8.384 43 HG22 VAL 6 1HG2 VAL 6 -1.012 -3.256 7.192 44 HG23 VAL 6 2HG2 VAL 6 -1.637 -1.608 7.180 45 H VAL 7 H VAL 7 -3.053 -0.015 9.212 46 HA VAL 7 HA VAL 7 -4.104 -1.108 11.721 47 HB VAL 7 HB VAL 7 -4.506 1.269 11.336 48 HG11 VAL 7 1HG1 VAL 7 -5.990 2.031 9.537 49 HG12 VAL 7 2HG1 VAL 7 -6.016 0.393 8.877 50 HG13 VAL 7 3HG1 VAL 7 -4.507 1.307 8.916 51 HG21 VAL 7 3HG2 VAL 7 -6.915 1.311 11.709 52 HG22 VAL 7 1HG2 VAL 7 -6.153 0.001 12.608 53 HG23 VAL 7 2HG2 VAL 7 -7.042 -0.350 11.126 54 H LYS 8 H LYS 8 -4.365 -1.405 8.260 55 HA LYS 8 HA LYS 8 -5.748 -3.905 8.555 56 HB2 LYS 8 2HB LYS 8 -7.571 -2.104 8.547 57 HB3 LYS 8 1HB LYS 8 -7.117 -1.809 6.873 58 HG2 LYS 8 2HG LYS 8 -7.700 -4.070 6.268 59 HG3 LYS 8 1HG LYS 8 -8.045 -4.461 7.956 60 HD2 LYS 8 2HD LYS 8 -9.796 -2.694 7.935 61 HD3 LYS 8 1HD LYS 8 -9.509 -2.499 6.206 62 HE2 LYS 8 2HE LYS 8 -10.185 -4.776 5.791 63 HE3 LYS 8 1HE LYS 8 -10.336 -5.083 7.522 64 HZ1 LYS 8 3HZ LYS 8 -12.000 -3.230 5.899 65 HZ2 LYS 8 1HZ LYS 8 -12.092 -3.379 7.588 66 HZ3 LYS 8 2HZ LYS 8 -12.495 -4.693 6.597 67 H THR 9 H THR 9 -5.635 -5.167 6.668 68 HA THR 9 HA THR 9 -4.039 -4.017 4.487 69 HB THR 9 HB THR 9 -3.482 -6.658 5.858 70 HG1 THR 9 1HG THR 9 -2.390 -5.244 7.052 71 HG21 THR 9 3HG2 THR 9 -2.141 -5.391 3.471 72 HG22 THR 9 1HG2 THR 9 -3.157 -6.831 3.446 73 HG23 THR 9 2HG2 THR 9 -1.609 -6.858 4.291 74 H TYR 10 H TYR 10 -5.108 -4.267 2.648 75 HA TYR 10 HA TYR 10 -7.060 -6.424 2.388 76 HB2 TYR 10 2HB TYR 10 -6.394 -4.376 0.275 77 HB3 TYR 10 1HB TYR 10 -7.868 -5.318 0.444 78 HD1 TYR 10 2HD TYR 10 -8.981 -4.908 2.903 79 HD2 TYR 10 1HD TYR 10 -6.627 -2.120 0.722 80 HE1 TYR 10 2HE TYR 10 -10.033 -3.073 4.144 81 HE2 TYR 10 1HE TYR 10 -7.680 -0.263 1.957 82 HH TYR 10 HH TYR 10 -9.729 0.197 3.241 83 H ASP 11 H ASP 11 -6.614 -8.259 1.301 84 HA ASP 11 HA ASP 11 -4.022 -8.513 0.017 85 HB2 ASP 11 2HB ASP 11 -5.141 -10.286 1.525 86 HB3 ASP 11 1HB ASP 11 -6.141 -10.645 0.126 87 H LEU 12 H LEU 12 -3.706 -8.368 -2.105 88 HA LEU 12 HA LEU 12 -5.995 -7.685 -3.746 89 HB2 LEU 12 2HB LEU 12 -3.034 -7.434 -4.053 90 HB3 LEU 12 1HB LEU 12 -4.053 -7.362 -5.473 91 HG LEU 12 HG LEU 12 -3.686 -5.134 -4.893 92 HD11 LEU 12 1HD1 LEU 12 -5.867 -4.278 -4.197 93 HD12 LEU 12 2HD1 LEU 12 -6.331 -5.898 -3.678 94 HD13 LEU 12 3HD1 LEU 12 -6.014 -5.574 -5.382 95 HD21 LEU 12 3HD2 LEU 12 -3.947 -4.182 -2.669 96 HD22 LEU 12 1HD2 LEU 12 -2.731 -5.465 -2.681 97 HD23 LEU 12 2HD2 LEU 12 -4.339 -5.782 -2.026 98 H GLN 13 H GLN 13 -6.822 -8.852 -5.341 99 HA GLN 13 HA GLN 13 -6.368 -11.641 -5.399 100 HB2 GLN 13 2HB GLN 13 -7.948 -9.808 -7.190 101 HB3 GLN 13 1HB GLN 13 -7.941 -11.554 -7.364 102 HG2 GLN 13 2HG GLN 13 -8.919 -11.844 -5.201 103 HG3 GLN 13 1HG GLN 13 -8.735 -10.129 -4.841 104 HE21 GLN 13 1HE2 GLN 13 -9.535 -9.348 -7.542 105 HE22 GLN 13 2HE2 GLN 13 -11.254 -9.539 -7.605 106 H ASP 14 H ASP 14 -4.777 -9.120 -6.986 107 HA ASP 14 HA ASP 14 -3.972 -10.642 -9.302 108 HB2 ASP 14 2HB ASP 14 -2.901 -8.726 -10.050 109 HB3 ASP 14 1HB ASP 14 -4.175 -8.035 -9.050 110 H GLY 15 H GLY 15 -2.998 -10.398 -6.061 111 HA2 GLY 15 2HA GLY 15 -1.408 -12.118 -5.334 112 HA3 GLY 15 1HA GLY 15 -0.438 -11.696 -6.740 113 H SER 16 H SER 16 -1.781 -8.940 -5.354 114 HA SER 16 HA SER 16 0.747 -8.357 -3.985 115 HB2 SER 16 2HB SER 16 -1.411 -6.405 -4.781 116 HB3 SER 16 1HB SER 16 0.247 -6.054 -4.293 117 HG SER 16 HG SER 16 -0.709 -7.173 -6.699 118 H LYS 17 H LYS 17 0.122 -6.402 -2.274 119 HA LYS 17 HA LYS 17 -2.238 -7.015 -0.735 120 HB2 LYS 17 2HB LYS 17 -0.104 -8.565 -0.156 121 HB3 LYS 17 1HB LYS 17 0.277 -7.170 0.842 122 HG2 LYS 17 2HG LYS 17 -1.933 -7.388 1.922 123 HG3 LYS 17 1HG LYS 17 -2.219 -8.849 0.975 124 HD2 LYS 17 2HD LYS 17 -0.104 -9.779 1.972 125 HD3 LYS 17 1HD LYS 17 -0.091 -8.389 3.059 126 HE2 LYS 17 2HE LYS 17 -1.119 -10.147 4.258 127 HE3 LYS 17 1HE LYS 17 -2.424 -9.076 3.753 128 HZ1 LYS 17 3HZ LYS 17 -1.683 -11.710 2.615 129 HZ2 LYS 17 1HZ LYS 17 -2.710 -10.631 1.802 130 HZ3 LYS 17 2HZ LYS 17 -3.152 -11.249 3.317 131 H VAL 18 H VAL 18 -2.933 -5.113 0.125 132 HA VAL 18 HA VAL 18 -0.980 -2.919 0.113 133 HB VAL 18 HB VAL 18 -2.840 -2.452 -1.339 134 HG11 VAL 18 1HG1 VAL 18 -4.507 -3.928 -0.388 135 HG12 VAL 18 2HG1 VAL 18 -5.140 -2.288 -0.539 136 HG13 VAL 18 3HG1 VAL 18 -4.629 -2.896 1.036 137 HG21 VAL 18 3HG2 VAL 18 -3.051 -0.856 1.207 138 HG22 VAL 18 1HG2 VAL 18 -3.678 -0.360 -0.365 139 HG23 VAL 18 2HG2 VAL 18 -1.940 -0.557 -0.130 140 H HIS 19 H HIS 19 -0.267 -2.154 1.941 141 HA HIS 19 HA HIS 19 -1.606 -3.000 4.414 142 HB2 HIS 19 2HB HIS 19 1.096 -1.678 4.347 143 HB3 HIS 19 1HB HIS 19 0.452 -2.808 5.528 144 HD1 HIS 19 1HD HIS 19 -0.061 -5.320 4.146 145 HD2 HIS 19 2HD HIS 19 3.073 -2.844 2.985 146 HE1 HIS 19 1HE HIS 19 1.491 -6.774 2.795 147 HE2 HIS 19 2HE HIS 19 3.500 -5.323 2.353 148 H VAL 20 H VAL 20 -3.111 -1.513 4.910 149 HA VAL 20 HA VAL 20 -2.630 1.295 4.328 150 HB VAL 20 HB VAL 20 -5.051 0.233 5.760 151 HG11 VAL 20 1HG1 VAL 20 -4.651 2.468 3.782 152 HG12 VAL 20 2HG1 VAL 20 -4.740 2.654 5.537 153 HG13 VAL 20 3HG1 VAL 20 -6.147 2.085 4.636 154 HG21 VAL 20 3HG2 VAL 20 -4.740 -1.236 3.842 155 HG22 VAL 20 1HG2 VAL 20 -4.575 0.161 2.781 156 HG23 VAL 20 2HG2 VAL 20 -6.114 -0.161 3.580 157 H PHE 21 H PHE 21 -1.799 2.646 5.767 158 HA PHE 21 HA PHE 21 -1.390 1.586 8.464 159 HB2 PHE 21 2HB PHE 21 -0.012 3.957 7.215 160 HB3 PHE 21 1HB PHE 21 0.467 3.067 8.647 161 HD1 PHE 21 2HD PHE 21 1.126 0.600 8.358 162 HD2 PHE 21 1HD PHE 21 0.854 3.377 5.136 163 HE1 PHE 21 2HE PHE 21 2.574 -0.840 6.991 164 HE2 PHE 21 1HE PHE 21 2.305 1.939 3.770 165 HZ PHE 21 HZ PHE 21 3.167 -0.171 4.697 166 H LYS 22 H LYS 22 -1.244 3.233 10.206 167 HA LYS 22 HA LYS 22 -3.768 4.487 10.515 168 HB2 LYS 22 2HB LYS 22 -1.262 4.673 12.189 169 HB3 LYS 22 1HB LYS 22 -2.875 5.158 12.707 170 HG2 LYS 22 2HG LYS 22 -3.658 2.915 12.641 171 HG3 LYS 22 1HG LYS 22 -2.187 2.365 11.836 172 HD2 LYS 22 2HD LYS 22 -0.922 3.084 13.880 173 HD3 LYS 22 1HD LYS 22 -2.481 3.346 14.667 174 HE2 LYS 22 2HE LYS 22 -1.617 0.747 13.425 175 HE3 LYS 22 1HE LYS 22 -1.444 1.127 15.137 176 HZ1 LYS 22 3HZ LYS 22 -4.077 1.304 13.812 177 HZ2 LYS 22 1HZ LYS 22 -3.728 1.103 15.454 178 HZ3 LYS 22 2HZ LYS 22 -3.488 -0.183 14.375 179 H ASP 23 H ASP 23 -0.934 5.557 9.042 180 HA ASP 23 HA ASP 23 -1.036 8.323 9.659 181 HB2 ASP 23 2HB ASP 23 0.936 7.233 8.635 182 HB3 ASP 23 1HB ASP 23 0.012 6.965 7.161 183 H GLY 24 H GLY 24 -2.870 6.263 7.608 184 HA2 GLY 24 2HA GLY 24 -5.017 7.025 6.785 185 HA3 GLY 24 1HA GLY 24 -4.284 8.602 6.498 186 H LYS 25 H LYS 25 -1.962 6.546 5.654 187 HA LYS 25 HA LYS 25 -2.834 6.485 2.852 188 HB2 LYS 25 2HB LYS 25 -0.044 6.697 3.987 189 HB3 LYS 25 1HB LYS 25 -0.426 6.547 2.272 190 HG2 LYS 25 2HG LYS 25 -1.200 8.810 4.103 191 HG3 LYS 25 1HG LYS 25 -0.016 8.852 2.794 192 HD2 LYS 25 2HD LYS 25 -1.669 8.649 1.140 193 HD3 LYS 25 1HD LYS 25 -2.889 8.129 2.304 194 HE2 LYS 25 2HE LYS 25 -2.800 10.382 3.327 195 HE3 LYS 25 1HE LYS 25 -1.673 10.875 2.062 196 HZ1 LYS 25 3HZ LYS 25 -3.327 10.504 0.411 197 HZ2 LYS 25 1HZ LYS 25 -4.021 11.476 1.611 198 HZ3 LYS 25 2HZ LYS 25 -4.399 9.825 1.531 199 H MET 26 H MET 26 -1.845 4.776 1.533 200 HA MET 26 HA MET 26 -1.808 2.244 3.050 201 HB2 MET 26 2HB MET 26 -2.831 2.464 0.235 202 HB3 MET 26 1HB MET 26 -3.183 1.237 1.445 203 HG2 MET 26 2HG MET 26 -4.464 2.920 2.716 204 HG3 MET 26 1HG MET 26 -4.180 4.072 1.413 205 HE1 MET 26 3HE MET 26 -5.011 3.567 -1.147 206 HE2 MET 26 1HE MET 26 -5.936 2.123 -1.568 207 HE3 MET 26 2HE MET 26 -4.266 1.973 -1.019 208 H GLY 27 H GLY 27 -0.103 0.974 2.696 209 HA2 GLY 27 2HA GLY 27 1.893 1.896 0.797 210 HA3 GLY 27 1HA GLY 27 2.120 0.683 2.039 211 H MET 28 H MET 28 2.697 0.800 -0.888 212 HA MET 28 HA MET 28 1.068 -1.448 -1.802 213 HB2 MET 28 2HB MET 28 2.574 0.700 -3.241 214 HB3 MET 28 1HB MET 28 2.198 -0.818 -4.057 215 HG2 MET 28 2HG MET 28 0.065 0.680 -2.644 216 HG3 MET 28 1HG MET 28 0.628 1.250 -4.213 217 HE1 MET 28 3HE MET 28 -0.297 -2.321 -2.557 218 HE2 MET 28 1HE MET 28 -1.889 -2.460 -3.307 219 HE3 MET 28 2HE MET 28 -1.541 -1.113 -2.214 220 H GLU 29 H GLU 29 1.842 -3.325 -1.690 221 HA GLU 29 HA GLU 29 4.491 -4.019 -2.566 222 HB2 GLU 29 2HB GLU 29 4.992 -3.504 -0.225 223 HB3 GLU 29 1HB GLU 29 3.589 -4.394 0.323 224 HG2 GLU 29 2HG GLU 29 4.707 -6.455 -0.495 225 HG3 GLU 29 1HG GLU 29 6.131 -5.473 -0.849 226 H ASN 30 H ASN 30 4.552 -6.504 -2.634 227 HA ASN 30 HA ASN 30 1.812 -7.525 -2.703 228 HB2 ASN 30 2HB ASN 30 2.741 -9.494 -3.855 229 HB3 ASN 30 1HB ASN 30 3.066 -8.008 -4.713 230 HD21 ASN 30 1HD2 ASN 30 4.675 -9.123 -5.830 231 HD22 ASN 30 2HD2 ASN 30 6.231 -9.394 -5.121 232 H LYS 31 H LYS 31 1.531 -9.753 -1.718 233 HA LYS 31 HA LYS 31 2.190 -9.505 1.017 234 HB2 LYS 31 2HB LYS 31 1.142 -11.637 1.376 235 HB3 LYS 31 1HB LYS 31 0.198 -10.735 0.202 236 HG2 LYS 31 2HG LYS 31 2.240 -12.761 -0.634 237 HG3 LYS 31 1HG LYS 31 0.583 -13.209 -0.234 238 HD2 LYS 31 2HD LYS 31 0.566 -10.953 -1.979 239 HD3 LYS 31 1HD LYS 31 1.580 -12.227 -2.671 240 HE2 LYS 31 2HE LYS 31 -0.823 -12.370 -3.335 241 HE3 LYS 31 1HE LYS 31 -0.208 -13.815 -2.537 242 HZ1 LYS 31 3HZ LYS 31 -2.372 -13.284 -1.685 243 HZ2 LYS 31 1HZ LYS 31 -1.901 -11.703 -1.292 244 HZ3 LYS 31 2HZ LYS 31 -1.235 -13.020 -0.465 245 H PHE 32 H PHE 32 4.002 -10.678 -1.541 246 HA PHE 32 HA PHE 32 5.622 -12.536 -0.091 247 HB2 PHE 32 2HB PHE 32 6.235 -11.146 -2.706 248 HB3 PHE 32 1HB PHE 32 6.962 -12.624 -2.092 249 HD1 PHE 32 2HD PHE 32 5.282 -14.565 -1.590 250 HD2 PHE 32 1HD PHE 32 4.520 -11.306 -4.211 251 HE1 PHE 32 2HE PHE 32 3.558 -15.895 -2.732 252 HE2 PHE 32 1HE PHE 32 2.791 -12.628 -5.360 253 HZ PHE 32 HZ PHE 32 2.313 -14.925 -4.615 254 H GLY 33 H GLY 33 5.555 -9.095 -0.586 255 HA2 GLY 33 2HA GLY 33 6.685 -7.541 0.759 256 HA3 GLY 33 1HA GLY 33 7.814 -8.811 1.246 257 H LYS 34 H LYS 34 7.046 -8.436 -2.076 258 HA LYS 34 HA LYS 34 9.736 -7.511 -2.665 259 HB2 LYS 34 2HB LYS 34 7.538 -8.796 -4.154 260 HB3 LYS 34 1HB LYS 34 8.463 -7.622 -5.074 261 HG2 LYS 34 2HG LYS 34 9.371 -9.821 -5.403 262 HG3 LYS 34 1HG LYS 34 10.524 -8.832 -4.510 263 HD2 LYS 34 2HD LYS 34 9.771 -9.876 -2.417 264 HD3 LYS 34 1HD LYS 34 8.655 -10.890 -3.338 265 HE2 LYS 34 2HE LYS 34 11.663 -10.860 -3.575 266 HE3 LYS 34 1HE LYS 34 10.688 -12.114 -2.811 267 HZ1 LYS 34 3HZ LYS 34 10.644 -11.372 -5.689 268 HZ2 LYS 34 1HZ LYS 34 9.651 -12.546 -4.967 269 HZ3 LYS 34 2HZ LYS 34 11.328 -12.773 -5.027 270 H SER 35 H SER 35 10.171 -5.619 -3.880 271 HA SER 35 HA SER 35 8.561 -3.395 -3.123 272 HB2 SER 35 2HB SER 35 10.871 -3.536 -5.079 273 HB3 SER 35 1HB SER 35 10.211 -2.064 -4.360 274 HG SER 35 HG SER 35 12.161 -3.363 -3.384 275 H MET 36 H MET 36 6.559 -3.473 -3.987 276 HA MET 36 HA MET 36 6.323 -3.777 -6.896 277 HB2 MET 36 2HB MET 36 5.196 -5.480 -5.444 278 HB3 MET 36 1HB MET 36 4.199 -4.198 -4.779 279 HG2 MET 36 2HG MET 36 4.246 -4.585 -7.714 280 HG3 MET 36 1HG MET 36 3.356 -5.738 -6.728 281 HE1 MET 36 3HE MET 36 2.311 -3.757 -4.338 282 HE2 MET 36 1HE MET 36 1.479 -5.114 -5.103 283 HE3 MET 36 2HE MET 36 0.692 -3.535 -4.999 284 H ASN 37 H ASN 37 5.499 -2.193 -8.090 285 HA ASN 37 HA ASN 37 4.844 0.291 -6.645 286 HB2 ASN 37 2HB ASN 37 6.140 0.008 -9.366 287 HB3 ASN 37 1HB ASN 37 5.904 1.503 -8.463 288 HD21 ASN 37 1HD2 ASN 37 7.639 -1.524 -8.583 289 HD22 ASN 37 2HD2 ASN 37 8.926 -1.061 -7.528 290 H MET 38 H MET 38 3.083 1.444 -7.238 291 HA MET 38 HA MET 38 1.581 0.550 -9.598 292 HB2 MET 38 2HB MET 38 0.442 -0.525 -7.825 293 HB3 MET 38 1HB MET 38 0.521 0.903 -6.798 294 HG2 MET 38 2HG MET 38 -1.083 2.038 -8.102 295 HG3 MET 38 1HG MET 38 -0.986 0.840 -9.388 296 HE1 MET 38 3HE MET 38 -0.935 -1.858 -7.613 297 HE2 MET 38 1HE MET 38 -1.863 -1.688 -9.102 298 HE3 MET 38 2HE MET 38 -2.648 -2.279 -7.637 299 HA PRO 39 HA PRO 39 1.429 4.973 -10.217 300 HB2 PRO 39 2HB PRO 39 0.166 4.419 -12.742 301 HB3 PRO 39 1HB PRO 39 1.829 4.924 -12.443 302 HG2 PRO 39 2HG PRO 39 1.115 2.454 -13.417 303 HG3 PRO 39 1HG PRO 39 2.625 2.787 -12.551 304 HD2 PRO 39 2HD PRO 39 0.086 1.575 -11.545 305 HD3 PRO 39 1HD PRO 39 1.770 1.133 -11.183 306 H GLU 40 H GLU 40 -0.448 6.321 -11.451 307 HA GLU 40 HA GLU 40 -2.741 5.959 -9.741 308 HB2 GLU 40 2HB GLU 40 -1.850 8.208 -10.060 309 HB3 GLU 40 1HB GLU 40 -2.126 8.091 -11.794 310 HG2 GLU 40 2HG GLU 40 -4.521 7.979 -11.437 311 HG3 GLU 40 1HG GLU 40 -4.281 8.008 -9.691 312 H GLY 41 H GLY 41 -4.569 4.987 -10.262 313 HA2 GLY 41 2HA GLY 41 -6.468 5.063 -11.817 314 HA3 GLY 41 1HA GLY 41 -5.315 4.898 -13.129 315 H LYS 42 H LYS 42 -4.188 2.958 -10.774 316 HA LYS 42 HA LYS 42 -5.093 0.602 -12.136 317 HB2 LYS 42 2HB LYS 42 -3.335 0.964 -9.709 318 HB3 LYS 42 1HB LYS 42 -3.663 -0.586 -10.470 319 HG2 LYS 42 2HG LYS 42 -2.382 1.751 -11.866 320 HG3 LYS 42 1HG LYS 42 -1.492 0.418 -11.126 321 HD2 LYS 42 2HD LYS 42 -2.598 -1.159 -12.617 322 HD3 LYS 42 1HD LYS 42 -3.533 0.157 -13.332 323 HE2 LYS 42 2HE LYS 42 -1.514 1.176 -14.188 324 HE3 LYS 42 1HE LYS 42 -0.522 -0.036 -13.375 325 HZ1 LYS 42 3HZ LYS 42 -0.962 -0.387 -15.821 326 HZ2 LYS 42 1HZ LYS 42 -2.565 -0.753 -15.399 327 HZ3 LYS 42 2HZ LYS 42 -1.293 -1.706 -14.809 328 H VAL 43 H VAL 43 -6.596 -0.807 -11.542 329 HA VAL 43 HA VAL 43 -8.342 -0.065 -9.334 330 HB VAL 43 HB VAL 43 -8.716 -2.185 -11.458 331 HG11 VAL 43 1HG1 VAL 43 -10.658 -1.014 -9.474 332 HG12 VAL 43 2HG1 VAL 43 -10.018 -2.656 -9.472 333 HG13 VAL 43 3HG1 VAL 43 -11.074 -2.123 -10.781 334 HG21 VAL 43 3HG2 VAL 43 -10.215 -0.605 -12.537 335 HG22 VAL 43 1HG2 VAL 43 -8.597 0.080 -12.396 336 HG23 VAL 43 2HG2 VAL 43 -9.874 0.597 -11.292 337 H MET 44 H MET 44 -7.605 -0.807 -7.436 338 HA MET 44 HA MET 44 -6.452 -3.465 -7.191 339 HB2 MET 44 2HB MET 44 -7.040 -1.343 -5.121 340 HB3 MET 44 1HB MET 44 -6.209 -2.861 -4.801 341 HG2 MET 44 2HG MET 44 -4.444 -2.219 -6.351 342 HG3 MET 44 1HG MET 44 -5.274 -0.694 -6.654 343 HE1 MET 44 3HE MET 44 -5.056 1.020 -3.137 344 HE2 MET 44 1HE MET 44 -6.354 -0.031 -3.698 345 HE3 MET 44 2HE MET 44 -5.651 1.162 -4.791 346 H GLU 45 H GLU 45 -7.959 -5.053 -7.343 347 HA GLU 45 HA GLU 45 -10.483 -4.688 -5.919 348 HB2 GLU 45 2HB GLU 45 -10.434 -5.466 -8.323 349 HB3 GLU 45 1HB GLU 45 -9.719 -6.964 -7.744 350 HG2 GLU 45 2HG GLU 45 -11.681 -7.479 -6.472 351 HG3 GLU 45 1HG GLU 45 -12.381 -5.901 -6.835 352 H THR 46 H THR 46 -10.530 -5.329 -3.905 353 HA THR 46 HA THR 46 -8.585 -7.057 -2.763 354 HB THR 46 HB THR 46 -9.725 -6.789 -0.687 355 HG1 THR 46 1HG THR 46 -11.841 -6.554 -0.541 356 HG21 THR 46 3HG2 THR 46 -10.121 -4.269 -2.307 357 HG22 THR 46 1HG2 THR 46 -8.636 -4.754 -1.490 358 HG23 THR 46 2HG2 THR 46 -10.073 -4.364 -0.547 359 H ARG 47 H ARG 47 -9.239 -9.052 -1.499 360 HA ARG 47 HA ARG 47 -10.414 -10.926 -3.255 361 HB2 ARG 47 2HB ARG 47 -9.650 -11.108 -0.345 362 HB3 ARG 47 1HB ARG 47 -10.242 -12.478 -1.279 363 HG2 ARG 47 2HG ARG 47 -8.377 -12.454 -2.704 364 HG3 ARG 47 1HG ARG 47 -7.875 -10.857 -2.152 365 HD2 ARG 47 2HD ARG 47 -6.426 -12.491 -1.187 366 HD3 ARG 47 1HD ARG 47 -7.447 -11.826 0.083 367 HE ARG 47 HE ARG 47 -8.838 -13.958 -0.395 368 HH11 ARG 47 1HH1 ARG 47 -5.343 -13.686 -0.526 369 HH12 ARG 47 2HH1 ARG 47 -5.079 -15.346 -0.068 370 HH21 ARG 47 1HH2 ARG 47 -8.502 -16.113 0.229 371 HH22 ARG 47 2HH2 ARG 47 -6.881 -16.730 0.396 372 H ASP 48 H ASP 48 -11.883 -8.674 -1.267 373 HA ASP 48 HA ASP 48 -14.288 -10.205 -0.727 374 HB2 ASP 48 2HB ASP 48 -14.033 -7.201 -0.612 375 HB3 ASP 48 1HB ASP 48 -15.153 -8.227 0.274 376 H GLY 49 H GLY 49 -12.925 -8.544 -3.331 377 HA2 GLY 49 2HA GLY 49 -13.853 -8.192 -5.456 378 HA3 GLY 49 1HA GLY 49 -15.457 -8.448 -4.777 379 H THR 50 H THR 50 -12.893 -6.262 -3.711 380 HA THR 50 HA THR 50 -14.807 -4.031 -3.966 381 HB THR 50 HB THR 50 -12.522 -4.263 -1.998 382 HG1 THR 50 1HG THR 50 -14.025 -5.835 -1.464 383 HG21 THR 50 3HG2 THR 50 -14.925 -2.426 -2.072 384 HG22 THR 50 1HG2 THR 50 -13.273 -1.974 -2.497 385 HG23 THR 50 2HG2 THR 50 -13.663 -2.439 -0.840 386 H LYS 51 H LYS 51 -14.250 -2.444 -5.289 387 HA LYS 51 HA LYS 51 -11.600 -2.459 -6.470 388 HB2 LYS 51 2HB LYS 51 -14.187 -1.081 -7.120 389 HB3 LYS 51 1HB LYS 51 -12.686 -0.635 -7.895 390 HG2 LYS 51 2HG LYS 51 -12.461 -3.026 -8.626 391 HG3 LYS 51 1HG LYS 51 -14.110 -3.269 -8.040 392 HD2 LYS 51 2HD LYS 51 -14.920 -1.543 -9.554 393 HD3 LYS 51 1HD LYS 51 -13.270 -1.237 -10.107 394 HE2 LYS 51 2HE LYS 51 -13.155 -3.534 -10.973 395 HE3 LYS 51 1HE LYS 51 -14.811 -3.812 -10.440 396 HZ1 LYS 51 3HZ LYS 51 -14.005 -1.734 -12.405 397 HZ2 LYS 51 1HZ LYS 51 -15.588 -2.146 -11.962 398 HZ3 LYS 51 2HZ LYS 51 -14.636 -3.255 -12.819 399 H ILE 52 H ILE 52 -10.065 -1.335 -5.490 400 HA ILE 52 HA ILE 52 -10.718 1.381 -4.526 401 HB ILE 52 HB ILE 52 -8.475 -0.419 -3.578 402 HG12 ILE 52 2HG1 ILE 52 -11.005 0.410 -2.134 403 HG13 ILE 52 1HG1 ILE 52 -10.751 -1.161 -2.883 404 HG21 ILE 52 1HG2 ILE 52 -8.099 1.276 -1.870 405 HG22 ILE 52 2HG2 ILE 52 -9.391 2.266 -2.550 406 HG23 ILE 52 3HG2 ILE 52 -7.925 1.966 -3.484 407 HD11 ILE 52 3HD1 ILE 52 -10.398 -1.285 -0.502 408 HD12 ILE 52 1HD1 ILE 52 -9.180 -0.011 -0.594 409 HD13 ILE 52 2HD1 ILE 52 -8.884 -1.571 -1.359 410 H ILE 53 H ILE 53 -9.761 2.990 -5.654 411 HA ILE 53 HA ILE 53 -7.885 2.145 -7.737 412 HB ILE 53 HB ILE 53 -9.510 4.693 -7.585 413 HG12 ILE 53 2HG1 ILE 53 -10.615 3.587 -9.657 414 HG13 ILE 53 1HG1 ILE 53 -9.940 2.087 -9.033 415 HG21 ILE 53 1HG2 ILE 53 -8.822 5.020 -9.921 416 HG22 ILE 53 2HG2 ILE 53 -7.785 3.599 -9.805 417 HG23 ILE 53 3HG2 ILE 53 -7.449 5.020 -8.817 418 HD11 ILE 53 3HD1 ILE 53 -12.267 2.386 -8.376 419 HD12 ILE 53 1HD1 ILE 53 -11.847 3.895 -7.565 420 HD13 ILE 53 2HD1 ILE 53 -11.198 2.365 -6.972 421 H MET 54 H MET 54 -5.848 2.784 -7.781 422 HA MET 54 HA MET 54 -4.760 4.415 -5.661 423 HB2 MET 54 2HB MET 54 -3.729 2.396 -7.126 424 HB3 MET 54 1HB MET 54 -3.146 3.750 -8.067 425 HG2 MET 54 2HG MET 54 -1.387 3.400 -6.647 426 HG3 MET 54 1HG MET 54 -2.287 4.651 -5.784 427 HE1 MET 54 3HE MET 54 -0.849 4.098 -3.734 428 HE2 MET 54 1HE MET 54 -0.044 2.625 -4.286 429 HE3 MET 54 2HE MET 54 -0.953 2.619 -2.773 430 H LYS 55 H LYS 55 -5.288 6.582 -5.855 431 HA LYS 55 HA LYS 55 -4.395 7.877 -8.336 432 HB2 LYS 55 2HB LYS 55 -6.977 8.400 -6.861 433 HB3 LYS 55 1HB LYS 55 -6.301 9.522 -8.034 434 HG2 LYS 55 2HG LYS 55 -6.359 7.614 -9.693 435 HG3 LYS 55 1HG LYS 55 -7.330 6.742 -8.506 436 HD2 LYS 55 2HD LYS 55 -8.774 7.837 -10.118 437 HD3 LYS 55 1HD LYS 55 -8.966 8.583 -8.529 438 HE2 LYS 55 2HE LYS 55 -7.499 10.408 -9.195 439 HE3 LYS 55 1HE LYS 55 -7.247 9.649 -10.766 440 HZ1 LYS 55 3HZ LYS 55 -9.812 10.716 -9.714 441 HZ2 LYS 55 1HZ LYS 55 -9.640 9.883 -11.184 442 HZ3 LYS 55 2HZ LYS 55 -8.870 11.373 -10.967 443 H GLY 56 H GLY 56 -5.187 10.490 -7.412 444 HA2 GLY 56 2HA GLY 56 -2.888 11.272 -6.005 445 HA3 GLY 56 1HA GLY 56 -4.316 12.264 -6.260 446 H ASN 57 H ASN 57 -5.684 9.806 -4.846 447 HA ASN 57 HA ASN 57 -5.718 10.925 -2.227 448 HB2 ASN 57 2HB ASN 57 -7.182 9.009 -1.675 449 HB3 ASN 57 1HB ASN 57 -7.714 9.850 -3.125 450 HD21 ASN 57 1HD2 ASN 57 -6.515 6.905 -1.807 451 HD22 ASN 57 2HD2 ASN 57 -6.651 5.963 -3.251 452 H GLU 58 H GLU 58 -3.751 8.641 -3.849 453 HA GLU 58 HA GLU 58 -2.472 8.007 -1.303 454 HB2 GLU 58 2HB GLU 58 -3.864 6.070 -2.099 455 HB3 GLU 58 1HB GLU 58 -2.794 5.966 -3.494 456 HG2 GLU 58 2HG GLU 58 -2.270 4.432 -1.561 457 HG3 GLU 58 1HG GLU 58 -0.937 5.419 -2.165 458 H ILE 59 H ILE 59 -1.033 9.627 -1.770 459 HA ILE 59 HA ILE 59 0.689 9.294 -4.098 460 HB ILE 59 HB ILE 59 0.554 11.515 -2.053 461 HG12 ILE 59 2HG1 ILE 59 -1.406 11.418 -3.519 462 HG13 ILE 59 1HG1 ILE 59 -0.423 12.831 -3.879 463 HG21 ILE 59 1HG2 ILE 59 2.804 11.312 -2.936 464 HG22 ILE 59 2HG2 ILE 59 2.021 12.765 -3.560 465 HG23 ILE 59 3HG2 ILE 59 2.175 11.337 -4.583 466 HD11 ILE 59 3HD1 ILE 59 0.528 11.674 -5.811 467 HD12 ILE 59 1HD1 ILE 59 -1.228 11.794 -5.912 468 HD13 ILE 59 2HD1 ILE 59 -0.473 10.267 -5.454 469 H PHE 60 H PHE 60 0.754 8.933 -0.609 470 HA PHE 60 HA PHE 60 3.616 9.012 -0.422 471 HB2 PHE 60 2HB PHE 60 2.251 9.648 1.514 472 HB3 PHE 60 1HB PHE 60 1.596 8.011 1.601 473 HD1 PHE 60 1HD PHE 60 4.801 9.889 1.702 474 HD2 PHE 60 2HD PHE 60 2.672 6.399 2.880 475 HE1 PHE 60 1HE PHE 60 6.715 9.194 3.078 476 HE2 PHE 60 2HE PHE 60 4.580 5.699 4.265 477 HZ PHE 60 HZ PHE 60 6.612 7.092 4.352 478 H ARG 61 H ARG 61 1.179 6.430 -0.226 479 HA ARG 61 HA ARG 61 1.265 4.256 -0.820 480 HB2 ARG 61 2HB ARG 61 3.819 4.989 -2.259 481 HB3 ARG 61 1HB ARG 61 2.838 3.554 -2.535 482 HG2 ARG 61 2HG ARG 61 1.104 4.772 -3.509 483 HG3 ARG 61 1HG ARG 61 1.685 6.303 -2.846 484 HD2 ARG 61 2HD ARG 61 3.696 6.084 -4.303 485 HD3 ARG 61 1HD ARG 61 2.957 4.658 -5.030 486 HE ARG 61 HE ARG 61 1.048 6.338 -5.532 487 HH11 ARG 61 1HH1 ARG 61 4.468 7.080 -5.550 488 HH12 ARG 61 2HH1 ARG 61 4.322 8.316 -6.761 489 HH21 ARG 61 1HH2 ARG 61 0.851 7.965 -7.126 490 HH22 ARG 61 2HH2 ARG 61 2.277 8.808 -7.659 491 H LEU 62 H LEU 62 4.713 3.964 -1.040 492 HA LEU 62 HA LEU 62 4.662 2.557 1.549 493 HB2 LEU 62 2HB LEU 62 4.331 1.217 -0.720 494 HB3 LEU 62 1HB LEU 62 6.077 1.326 -0.771 495 HG LEU 62 HG LEU 62 4.734 -0.720 0.352 496 HD11 LEU 62 1HD1 LEU 62 6.787 -1.306 1.504 497 HD12 LEU 62 2HD1 LEU 62 7.372 0.349 1.329 498 HD13 LEU 62 3HD1 LEU 62 7.126 -0.653 -0.100 499 HD21 LEU 62 3HD2 LEU 62 4.815 -0.543 2.769 500 HD22 LEU 62 1HD2 LEU 62 3.738 0.674 2.087 501 HD23 LEU 62 2HD2 LEU 62 5.347 1.134 2.643 502 H ASP 63 H ASP 63 5.918 5.103 0.433 503 HA ASP 63 HA ASP 63 8.701 4.697 0.183 504 HB2 ASP 63 2HB ASP 63 7.016 7.113 0.760 505 HB3 ASP 63 1HB ASP 63 8.774 7.214 0.788 506 H GLU 64 H GLU 64 6.730 4.618 2.942 507 HA GLU 64 HA GLU 64 8.524 5.572 4.916 508 HB2 GLU 64 2HB GLU 64 5.940 4.852 4.953 509 HB3 GLU 64 1HB GLU 64 6.628 3.354 5.551 510 HG2 GLU 64 2HG GLU 64 7.107 6.055 6.789 511 HG3 GLU 64 1HG GLU 64 5.874 4.917 7.323 512 H ALA 65 H ALA 65 8.130 2.448 3.329 513 HA ALA 65 HA ALA 65 10.007 1.119 5.071 514 HB1 ALA 65 1HB ALA 65 9.792 -0.766 3.541 515 HB2 ALA 65 2HB ALA 65 8.894 0.244 2.408 516 HB3 ALA 65 3HB ALA 65 8.206 -0.136 3.988 517 H LEU 66 H LEU 66 10.020 2.673 1.954 518 HA LEU 66 HA LEU 66 12.570 1.889 1.070 519 HB2 LEU 66 2HB LEU 66 11.089 4.454 0.469 520 HB3 LEU 66 1HB LEU 66 12.354 3.721 -0.495 521 HG LEU 66 HG LEU 66 9.722 2.358 0.010 522 HD11 LEU 66 1HD1 LEU 66 10.505 4.108 -2.315 523 HD12 LEU 66 2HD1 LEU 66 9.292 4.487 -1.087 524 HD13 LEU 66 3HD1 LEU 66 9.034 3.138 -2.199 525 HD21 LEU 66 3HD2 LEU 66 11.862 1.959 -2.077 526 HD22 LEU 66 1HD2 LEU 66 10.346 1.066 -1.967 527 HD23 LEU 66 2HD2 LEU 66 11.554 0.911 -0.692 528 H ARG 67 H ARG 67 11.418 4.583 3.014 529 HA ARG 67 HA ARG 67 14.059 5.706 3.324 530 HB2 ARG 67 2HB ARG 67 12.263 7.267 3.251 531 HB3 ARG 67 1HB ARG 67 11.356 6.383 4.469 532 HG2 ARG 67 2HG ARG 67 12.945 7.005 6.165 533 HG3 ARG 67 1HG ARG 67 13.957 7.819 4.964 534 HD2 ARG 67 2HD ARG 67 11.159 8.566 5.806 535 HD3 ARG 67 1HD ARG 67 12.640 9.458 6.152 536 HE ARG 67 HE ARG 67 12.644 9.403 3.471 537 HH11 ARG 67 1HH1 ARG 67 10.158 10.272 5.789 538 HH12 ARG 67 2HH1 ARG 67 9.341 11.353 4.691 539 HH21 ARG 67 1HH2 ARG 67 11.599 10.809 2.047 540 HH22 ARG 67 2HH2 ARG 67 10.164 11.662 2.552 541 H LYS 68 H LYS 68 11.627 4.574 5.647 542 HA LYS 68 HA LYS 68 11.722 3.289 7.497 543 HB2 LYS 68 2HB LYS 68 13.302 1.874 6.117 544 HB3 LYS 68 1HB LYS 68 14.624 2.710 6.922 545 HG2 LYS 68 2HG LYS 68 14.011 1.827 9.034 546 HG3 LYS 68 1HG LYS 68 12.480 1.214 8.404 547 HD2 LYS 68 2HD LYS 68 13.712 -0.338 6.950 548 HD3 LYS 68 1HD LYS 68 15.235 0.268 7.604 549 HE2 LYS 68 2HE LYS 68 13.061 -1.026 9.245 550 HE3 LYS 68 1HE LYS 68 14.480 -1.869 8.625 551 HZ1 LYS 68 3HZ LYS 68 14.561 -1.006 10.997 552 HZ2 LYS 68 1HZ LYS 68 14.725 0.540 10.319 553 HZ3 LYS 68 2HZ LYS 68 15.893 -0.647 10.000 554 H GLY 69 H GLY 69 14.499 5.455 7.046 555 HA2 GLY 69 2HA GLY 69 14.691 7.429 8.323 556 HA3 GLY 69 1HA GLY 69 13.714 6.690 9.578 557 H HIS 70 H HIS 70 16.755 5.680 7.990 558 HA HIS 70 HA HIS 70 18.402 6.415 10.153 559 HB2 HIS 70 2HB HIS 70 17.174 4.514 11.247 560 HB3 HIS 70 1HB HIS 70 17.867 3.438 10.038 561 HD1 HIS 70 1HD HIS 70 18.958 5.732 12.855 562 HD2 HIS 70 2HD HIS 70 20.368 2.513 10.629 563 HE1 HIS 70 1HE HIS 70 21.115 5.045 13.949 564 HE2 HIS 70 2HE HIS 70 22.018 3.182 12.505 565 H SER 71 H SER 71 20.514 6.327 9.588 566 HA SER 71 HA SER 71 22.327 6.216 8.245 567 HB2 SER 71 2HB SER 71 22.922 3.966 7.374 568 HB3 SER 71 1HB SER 71 22.420 3.929 9.059 569 HG SER 71 HG SER 71 20.271 3.571 7.503 570 H GLU 72 H GLU 72 20.265 7.535 7.047 571 HA GLU 72 HA GLU 72 19.840 6.545 4.384 572 HB2 GLU 72 2HB GLU 72 18.905 8.916 4.034 573 HB3 GLU 72 1HB GLU 72 18.058 7.841 5.132 574 HG2 GLU 72 2HG GLU 72 20.092 9.736 6.213 575 HG3 GLU 72 1HG GLU 72 18.488 10.325 5.775 576 H GLY 73 H GLY 73 22.218 8.471 5.951 577 HA2 GLY 73 2HA GLY 73 24.294 9.068 5.082 578 HA3 GLY 73 1HA GLY 73 23.735 8.601 3.483 579 H GLY 74 H GLY 74 21.667 10.101 2.925 580 HA2 GLY 74 2HA GLY 74 21.655 12.763 3.817 581 HA3 GLY 74 1HA GLY 74 22.663 12.658 2.378 Start of MODEL 18 1 H1 VAL 1 1HT VAL 1 8.815 -1.010 4.221 2 H2 VAL 1 2HT VAL 1 9.977 -0.151 5.102 3 H3 VAL 1 3HT VAL 1 8.852 0.690 4.148 4 HA VAL 1 HA VAL 1 8.270 0.859 6.450 5 HB VAL 1 HB VAL 1 6.468 0.807 4.793 6 HG11 VAL 1 2HG1 VAL 1 6.866 -1.362 3.799 7 HG12 VAL 1 3HG1 VAL 1 5.201 -1.242 4.366 8 HG13 VAL 1 1HG1 VAL 1 6.385 -2.161 5.295 9 HG21 VAL 1 1HG2 VAL 1 5.736 -0.700 7.300 10 HG22 VAL 1 2HG2 VAL 1 4.626 0.205 6.267 11 HG23 VAL 1 3HG2 VAL 1 5.894 1.051 7.155 12 H ASP 2 H ASP 2 8.168 0.000 8.454 13 HA ASP 2 HA ASP 2 9.041 -2.791 8.714 14 HB2 ASP 2 2HB ASP 2 10.296 -0.847 9.799 15 HB3 ASP 2 1HB ASP 2 8.934 -0.717 10.907 16 H MET 3 H MET 3 6.314 -2.028 8.083 17 HA MET 3 HA MET 3 4.154 -2.412 8.612 18 HB2 MET 3 2HB MET 3 5.430 -4.511 10.360 19 HB3 MET 3 1HB MET 3 3.737 -4.470 9.888 20 HG2 MET 3 2HG MET 3 5.918 -4.512 7.837 21 HG3 MET 3 1HG MET 3 5.341 -5.987 8.585 22 HE1 MET 3 3HE MET 3 3.552 -2.673 7.222 23 HE2 MET 3 1HE MET 3 2.984 -3.301 5.674 24 HE3 MET 3 2HE MET 3 4.711 -3.199 6.002 25 H SER 4 H SER 4 5.670 -0.502 10.321 26 HA SER 4 HA SER 4 4.449 -0.672 12.920 27 HB2 SER 4 2HB SER 4 5.507 1.735 12.978 28 HB3 SER 4 1HB SER 4 6.551 0.309 12.997 29 HG SER 4 HG SER 4 6.756 2.231 11.329 30 H ASN 5 H ASN 5 4.046 1.293 10.005 31 HA ASN 5 HA ASN 5 1.999 2.939 11.165 32 HB2 ASN 5 2HB ASN 5 3.015 2.638 8.335 33 HB3 ASN 5 1HB ASN 5 1.735 3.756 8.789 34 HD21 ASN 5 1HD2 ASN 5 2.251 5.689 9.612 35 HD22 ASN 5 2HD2 ASN 5 3.877 6.212 9.936 36 H VAL 6 H VAL 6 1.996 -0.144 9.685 37 HA VAL 6 HA VAL 6 -0.436 0.151 8.207 38 HB VAL 6 HB VAL 6 1.255 -1.429 7.453 39 HG11 VAL 6 1HG1 VAL 6 1.663 -3.517 8.652 40 HG12 VAL 6 2HG1 VAL 6 0.636 -2.957 9.971 41 HG13 VAL 6 3HG1 VAL 6 2.138 -2.110 9.604 42 HG21 VAL 6 3HG2 VAL 6 -0.178 -3.375 7.051 43 HG22 VAL 6 1HG2 VAL 6 -1.055 -1.862 6.826 44 HG23 VAL 6 2HG2 VAL 6 -1.292 -2.807 8.296 45 H VAL 7 H VAL 7 -2.461 -0.417 8.682 46 HA VAL 7 HA VAL 7 -2.983 -1.617 11.320 47 HB VAL 7 HB VAL 7 -3.644 0.736 11.338 48 HG11 VAL 7 1HG1 VAL 7 -5.443 0.036 9.025 49 HG12 VAL 7 2HG1 VAL 7 -4.030 1.092 8.972 50 HG13 VAL 7 3HG1 VAL 7 -5.450 1.564 9.905 51 HG21 VAL 7 3HG2 VAL 7 -5.980 0.477 12.012 52 HG22 VAL 7 1HG2 VAL 7 -4.964 -0.815 12.650 53 HG23 VAL 7 2HG2 VAL 7 -6.014 -1.121 11.265 54 H LYS 8 H LYS 8 -3.825 -1.419 7.930 55 HA LYS 8 HA LYS 8 -5.511 -3.827 8.197 56 HB2 LYS 8 2HB LYS 8 -6.822 -1.666 7.844 57 HB3 LYS 8 1HB LYS 8 -6.040 -1.545 6.276 58 HG2 LYS 8 2HG LYS 8 -7.995 -2.538 5.675 59 HG3 LYS 8 1HG LYS 8 -7.010 -3.971 5.973 60 HD2 LYS 8 2HD LYS 8 -7.930 -4.100 8.255 61 HD3 LYS 8 1HD LYS 8 -8.947 -2.701 7.905 62 HE2 LYS 8 2HE LYS 8 -9.982 -3.989 6.051 63 HE3 LYS 8 1HE LYS 8 -9.044 -5.393 6.558 64 HZ1 LYS 8 3HZ LYS 8 -11.055 -3.961 8.213 65 HZ2 LYS 8 1HZ LYS 8 -10.141 -5.297 8.719 66 HZ3 LYS 8 2HZ LYS 8 -11.273 -5.470 7.468 67 H THR 9 H THR 9 -5.435 -5.241 6.398 68 HA THR 9 HA THR 9 -3.739 -4.487 4.150 69 HB THR 9 HB THR 9 -3.227 -6.986 5.779 70 HG1 THR 9 1HG THR 9 -2.371 -4.895 6.551 71 HG21 THR 9 3HG2 THR 9 -1.895 -5.985 3.258 72 HG22 THR 9 1HG2 THR 9 -2.938 -7.401 3.385 73 HG23 THR 9 2HG2 THR 9 -1.377 -7.380 4.206 74 H TYR 10 H TYR 10 -4.879 -4.906 2.397 75 HA TYR 10 HA TYR 10 -6.966 -6.961 2.483 76 HB2 TYR 10 2HB TYR 10 -6.418 -4.972 0.270 77 HB3 TYR 10 1HB TYR 10 -7.858 -5.959 0.476 78 HD1 TYR 10 2HD TYR 10 -9.328 -5.482 2.538 79 HD2 TYR 10 1HD TYR 10 -6.304 -2.845 1.148 80 HE1 TYR 10 2HE TYR 10 -10.378 -3.622 3.781 81 HE2 TYR 10 1HE TYR 10 -7.330 -0.984 2.361 82 HH TYR 10 HH TYR 10 -9.576 -0.369 3.246 83 H ASP 11 H ASP 11 -7.044 -8.656 1.032 84 HA ASP 11 HA ASP 11 -4.545 -9.245 -0.356 85 HB2 ASP 11 2HB ASP 11 -5.661 -11.500 -0.767 86 HB3 ASP 11 1HB ASP 11 -5.235 -11.112 0.886 87 H LEU 12 H LEU 12 -4.329 -8.592 -2.323 88 HA LEU 12 HA LEU 12 -6.598 -7.720 -3.860 89 HB2 LEU 12 2HB LEU 12 -3.622 -7.598 -4.173 90 HB3 LEU 12 1HB LEU 12 -4.645 -7.301 -5.571 91 HG LEU 12 HG LEU 12 -4.216 -5.172 -4.789 92 HD11 LEU 12 1HD1 LEU 12 -6.759 -5.981 -3.393 93 HD12 LEU 12 2HD1 LEU 12 -6.602 -5.460 -5.071 94 HD13 LEU 12 3HD1 LEU 12 -6.270 -4.327 -3.762 95 HD21 LEU 12 3HD2 LEU 12 -3.057 -5.789 -2.753 96 HD22 LEU 12 1HD2 LEU 12 -4.592 -6.182 -1.976 97 HD23 LEU 12 2HD2 LEU 12 -4.233 -4.514 -2.430 98 H GLN 13 H GLN 13 -7.402 -8.580 -5.717 99 HA GLN 13 HA GLN 13 -6.858 -11.299 -6.383 100 HB2 GLN 13 2HB GLN 13 -8.532 -9.116 -7.549 101 HB3 GLN 13 1HB GLN 13 -8.181 -10.520 -8.545 102 HG2 GLN 13 2HG GLN 13 -9.181 -11.980 -6.900 103 HG3 GLN 13 1HG GLN 13 -9.455 -10.614 -5.819 104 HE21 GLN 13 1HE2 GLN 13 -11.139 -9.236 -6.201 105 HE22 GLN 13 2HE2 GLN 13 -12.355 -9.520 -7.400 106 H ASP 14 H ASP 14 -5.323 -8.419 -7.032 107 HA ASP 14 HA ASP 14 -4.132 -8.904 -9.550 108 HB2 ASP 14 2HB ASP 14 -4.199 -6.681 -8.646 109 HB3 ASP 14 1HB ASP 14 -3.362 -7.191 -7.190 110 H GLY 15 H GLY 15 -3.643 -10.213 -6.444 111 HA2 GLY 15 2HA GLY 15 -2.285 -12.163 -6.125 112 HA3 GLY 15 1HA GLY 15 -1.206 -11.565 -7.381 113 H SER 16 H SER 16 -1.608 -8.847 -6.055 114 HA SER 16 HA SER 16 0.619 -9.101 -4.205 115 HB2 SER 16 2HB SER 16 -0.739 -6.616 -5.271 116 HB3 SER 16 1HB SER 16 0.816 -6.694 -4.441 117 HG SER 16 HG SER 16 0.145 -7.354 -7.070 118 H LYS 17 H LYS 17 0.261 -6.980 -2.525 119 HA LYS 17 HA LYS 17 -2.325 -7.262 -1.219 120 HB2 LYS 17 2HB LYS 17 0.165 -8.461 -0.236 121 HB3 LYS 17 1HB LYS 17 -0.703 -7.506 0.951 122 HG2 LYS 17 2HG LYS 17 -2.716 -8.871 0.539 123 HG3 LYS 17 1HG LYS 17 -1.781 -9.859 -0.589 124 HD2 LYS 17 2HD LYS 17 -0.268 -10.513 1.204 125 HD3 LYS 17 1HD LYS 17 -1.134 -9.474 2.338 126 HE2 LYS 17 2HE LYS 17 -2.343 -11.821 0.877 127 HE3 LYS 17 1HE LYS 17 -1.739 -11.871 2.531 128 HZ1 LYS 17 3HZ LYS 17 -4.118 -11.559 2.508 129 HZ2 LYS 17 1HZ LYS 17 -3.970 -10.182 1.541 130 HZ3 LYS 17 2HZ LYS 17 -3.376 -10.168 3.124 131 H VAL 18 H VAL 18 -2.908 -5.446 -0.138 132 HA VAL 18 HA VAL 18 -0.924 -3.285 -0.161 133 HB VAL 18 HB VAL 18 -2.916 -2.863 -1.516 134 HG11 VAL 18 1HG1 VAL 18 -4.549 -4.193 -0.325 135 HG12 VAL 18 2HG1 VAL 18 -5.110 -2.531 -0.494 136 HG13 VAL 18 3HG1 VAL 18 -4.470 -3.092 1.051 137 HG21 VAL 18 3HG2 VAL 18 -2.628 -1.153 0.937 138 HG22 VAL 18 1HG2 VAL 18 -3.587 -0.695 -0.474 139 HG23 VAL 18 2HG2 VAL 18 -1.843 -0.949 -0.637 140 H HIS 19 H HIS 19 -0.120 -2.616 1.726 141 HA HIS 19 HA HIS 19 -1.527 -3.420 4.184 142 HB2 HIS 19 2HB HIS 19 1.168 -2.132 4.298 143 HB3 HIS 19 1HB HIS 19 0.481 -3.371 5.332 144 HD1 HIS 19 1HD HIS 19 0.294 -5.844 3.984 145 HD2 HIS 19 2HD HIS 19 3.114 -3.046 2.744 146 HE1 HIS 19 1HE HIS 19 1.960 -7.156 2.610 147 HE2 HIS 19 2HE HIS 19 3.802 -5.468 2.123 148 H VAL 20 H VAL 20 -2.987 -1.898 4.625 149 HA VAL 20 HA VAL 20 -2.502 0.883 3.912 150 HB VAL 20 HB VAL 20 -4.944 -0.159 5.328 151 HG11 VAL 20 1HG1 VAL 20 -4.711 2.256 5.053 152 HG12 VAL 20 2HG1 VAL 20 -6.054 1.624 4.097 153 HG13 VAL 20 3HG1 VAL 20 -4.529 2.036 3.310 154 HG21 VAL 20 3HG2 VAL 20 -4.558 -1.685 3.483 155 HG22 VAL 20 1HG2 VAL 20 -4.386 -0.329 2.372 156 HG23 VAL 20 2HG2 VAL 20 -5.941 -0.646 3.141 157 H PHE 21 H PHE 21 -2.180 2.504 5.325 158 HA PHE 21 HA PHE 21 -1.453 1.634 8.029 159 HB2 PHE 21 2HB PHE 21 -0.681 4.238 6.732 160 HB3 PHE 21 1HB PHE 21 0.099 3.413 8.071 161 HD1 PHE 21 2HD PHE 21 1.009 1.007 7.461 162 HD2 PHE 21 1HD PHE 21 0.391 4.144 4.650 163 HE1 PHE 21 2HE PHE 21 2.545 -0.093 5.897 164 HE2 PHE 21 1HE PHE 21 1.925 3.049 3.088 165 HZ PHE 21 HZ PHE 21 3.162 1.135 3.728 166 H LYS 22 H LYS 22 -1.746 3.300 9.767 167 HA LYS 22 HA LYS 22 -4.441 4.223 9.881 168 HB2 LYS 22 2HB LYS 22 -2.084 4.920 11.648 169 HB3 LYS 22 1HB LYS 22 -3.751 5.342 11.998 170 HG2 LYS 22 2HG LYS 22 -3.466 3.491 13.309 171 HG3 LYS 22 1HG LYS 22 -4.143 2.768 11.852 172 HD2 LYS 22 2HD LYS 22 -2.327 1.396 12.515 173 HD3 LYS 22 1HD LYS 22 -1.783 2.309 11.110 174 HE2 LYS 22 2HE LYS 22 -1.184 3.087 13.964 175 HE3 LYS 22 1HE LYS 22 -0.106 2.121 12.962 176 HZ1 LYS 22 3HZ LYS 22 -0.961 4.921 12.436 177 HZ2 LYS 22 1HZ LYS 22 -0.005 3.990 11.396 178 HZ3 LYS 22 2HZ LYS 22 0.578 4.410 12.923 179 H ASP 23 H ASP 23 -1.736 5.431 8.401 180 HA ASP 23 HA ASP 23 -2.103 8.232 8.843 181 HB2 ASP 23 2HB ASP 23 -0.471 6.712 6.800 182 HB3 ASP 23 1HB ASP 23 -0.374 8.449 7.070 183 H GLY 24 H GLY 24 -3.975 6.118 7.224 184 HA2 GLY 24 2HA GLY 24 -5.801 6.578 5.858 185 HA3 GLY 24 1HA GLY 24 -5.193 8.215 5.645 186 H LYS 25 H LYS 25 -2.665 6.249 5.112 187 HA LYS 25 HA LYS 25 -3.096 6.263 2.205 188 HB2 LYS 25 2HB LYS 25 -0.441 6.232 3.630 189 HB3 LYS 25 1HB LYS 25 -0.754 6.541 1.923 190 HG2 LYS 25 2HG LYS 25 -1.635 8.676 2.361 191 HG3 LYS 25 1HG LYS 25 -1.820 8.339 4.086 192 HD2 LYS 25 2HD LYS 25 0.665 8.143 4.226 193 HD3 LYS 25 1HD LYS 25 0.743 8.696 2.553 194 HE2 LYS 25 2HE LYS 25 -0.562 10.250 4.783 195 HE3 LYS 25 1HE LYS 25 1.109 10.483 4.272 196 HZ1 LYS 25 3HZ LYS 25 -0.359 12.093 3.243 197 HZ2 LYS 25 1HZ LYS 25 -1.296 10.853 2.562 198 HZ3 LYS 25 2HZ LYS 25 0.312 11.072 2.069 199 H MET 26 H MET 26 -1.724 4.491 1.106 200 HA MET 26 HA MET 26 -1.898 2.071 2.757 201 HB2 MET 26 2HB MET 26 -2.576 2.128 -0.173 202 HB3 MET 26 1HB MET 26 -2.913 0.858 0.998 203 HG2 MET 26 2HG MET 26 -4.426 2.457 2.164 204 HG3 MET 26 1HG MET 26 -4.200 3.558 0.804 205 HE1 MET 26 3HE MET 26 -7.779 2.378 0.091 206 HE2 MET 26 1HE MET 26 -6.659 3.739 -0.011 207 HE3 MET 26 2HE MET 26 -6.984 2.972 1.550 208 H GLY 27 H GLY 27 -0.254 0.741 2.691 209 HA2 GLY 27 2HA GLY 27 2.034 1.423 1.048 210 HA3 GLY 27 1HA GLY 27 1.982 0.220 2.329 211 H MET 28 H MET 28 1.812 0.804 -0.989 212 HA MET 28 HA MET 28 0.558 -1.681 -1.677 213 HB2 MET 28 2HB MET 28 0.293 0.242 -3.147 214 HB3 MET 28 1HB MET 28 2.036 0.324 -3.381 215 HG2 MET 28 2HG MET 28 1.424 -0.789 -5.254 216 HG3 MET 28 1HG MET 28 1.743 -2.130 -4.164 217 HE1 MET 28 3HE MET 28 -1.023 -1.892 -2.306 218 HE2 MET 28 1HE MET 28 -0.313 -3.428 -2.812 219 HE3 MET 28 2HE MET 28 -2.014 -3.089 -3.150 220 H GLU 29 H GLU 29 1.534 -3.567 -1.678 221 HA GLU 29 HA GLU 29 4.323 -3.809 -2.483 222 HB2 GLU 29 2HB GLU 29 3.813 -3.495 0.166 223 HB3 GLU 29 1HB GLU 29 3.567 -5.222 0.018 224 HG2 GLU 29 2HG GLU 29 5.778 -5.596 -0.624 225 HG3 GLU 29 1HG GLU 29 6.054 -3.889 -0.966 226 H ASN 30 H ASN 30 4.819 -6.337 -2.439 227 HA ASN 30 HA ASN 30 2.430 -7.632 -3.450 228 HB2 ASN 30 2HB ASN 30 3.820 -9.482 -4.106 229 HB3 ASN 30 1HB ASN 30 4.557 -7.986 -4.640 230 HD21 ASN 30 1HD2 ASN 30 6.522 -8.924 -4.863 231 HD22 ASN 30 2HD2 ASN 30 7.515 -9.357 -3.515 232 H LYS 31 H LYS 31 2.453 -10.164 -2.628 233 HA LYS 31 HA LYS 31 1.259 -9.761 -0.081 234 HB2 LYS 31 2HB LYS 31 0.623 -12.122 -0.241 235 HB3 LYS 31 1HB LYS 31 0.284 -11.255 -1.734 236 HG2 LYS 31 2HG LYS 31 1.210 -13.174 -2.550 237 HG3 LYS 31 1HG LYS 31 2.642 -12.150 -2.430 238 HD2 LYS 31 2HD LYS 31 3.418 -14.037 -1.400 239 HD3 LYS 31 1HD LYS 31 2.754 -13.161 -0.011 240 HE2 LYS 31 2HE LYS 31 2.136 -15.587 -0.110 241 HE3 LYS 31 1HE LYS 31 0.762 -14.481 -0.041 242 HZ1 LYS 31 3HZ LYS 31 0.439 -16.260 -1.669 243 HZ2 LYS 31 1HZ LYS 31 1.818 -15.754 -2.518 244 HZ3 LYS 31 2HZ LYS 31 0.463 -14.743 -2.418 245 H PHE 32 H PHE 32 4.437 -10.599 -0.968 246 HA PHE 32 HA PHE 32 4.979 -12.105 1.460 247 HB2 PHE 32 2HB PHE 32 6.875 -11.162 -0.711 248 HB3 PHE 32 1HB PHE 32 7.304 -12.208 0.637 249 HD1 PHE 32 2HD PHE 32 6.149 -14.453 0.824 250 HD2 PHE 32 1HD PHE 32 6.026 -12.043 -2.681 251 HE1 PHE 32 2HE PHE 32 5.527 -16.430 -0.510 252 HE2 PHE 32 1HE PHE 32 5.400 -14.012 -4.019 253 HZ PHE 32 HZ PHE 32 5.155 -16.217 -2.916 254 H GLY 33 H GLY 33 5.212 -8.863 0.287 255 HA2 GLY 33 2HA GLY 33 5.609 -7.021 1.771 256 HA3 GLY 33 1HA GLY 33 6.590 -8.094 2.772 257 H LYS 34 H LYS 34 6.906 -8.346 -0.602 258 HA LYS 34 HA LYS 34 9.504 -7.022 -0.556 259 HB2 LYS 34 2HB LYS 34 8.132 -8.709 -2.653 260 HB3 LYS 34 1HB LYS 34 9.712 -7.981 -2.858 261 HG2 LYS 34 2HG LYS 34 8.997 -10.004 -0.751 262 HG3 LYS 34 1HG LYS 34 9.832 -10.345 -2.267 263 HD2 LYS 34 2HD LYS 34 11.627 -8.784 -1.581 264 HD3 LYS 34 1HD LYS 34 10.808 -8.580 -0.030 265 HE2 LYS 34 2HE LYS 34 11.733 -11.234 -1.107 266 HE3 LYS 34 1HE LYS 34 12.696 -10.229 -0.028 267 HZ1 LYS 34 3HZ LYS 34 11.618 -11.789 1.319 268 HZ2 LYS 34 1HZ LYS 34 10.126 -11.586 0.541 269 HZ3 LYS 34 2HZ LYS 34 10.732 -10.353 1.534 270 H SER 35 H SER 35 9.797 -5.087 -1.419 271 HA SER 35 HA SER 35 7.649 -3.373 -1.732 272 HB2 SER 35 2HB SER 35 10.014 -2.727 -1.175 273 HB3 SER 35 1HB SER 35 10.400 -2.910 -2.888 274 HG SER 35 HG SER 35 8.451 -1.160 -1.796 275 H MET 36 H MET 36 6.192 -3.267 -3.257 276 HA MET 36 HA MET 36 6.978 -3.770 -6.044 277 HB2 MET 36 2HB MET 36 5.619 -5.616 -5.155 278 HB3 MET 36 1HB MET 36 4.370 -4.477 -4.674 279 HG2 MET 36 2HG MET 36 5.190 -4.556 -7.516 280 HG3 MET 36 1HG MET 36 4.203 -5.876 -6.896 281 HE1 MET 36 3HE MET 36 1.874 -5.517 -5.731 282 HE2 MET 36 1HE MET 36 1.048 -3.962 -5.610 283 HE3 MET 36 2HE MET 36 2.512 -4.260 -4.671 284 H ASN 37 H ASN 37 6.019 -2.464 -7.601 285 HA ASN 37 HA ASN 37 5.148 0.108 -6.484 286 HB2 ASN 37 2HB ASN 37 6.102 0.948 -8.764 287 HB3 ASN 37 1HB ASN 37 7.213 0.527 -7.464 288 HD21 ASN 37 1HD2 ASN 37 8.419 -1.366 -7.609 289 HD22 ASN 37 2HD2 ASN 37 8.621 -2.220 -9.096 290 H MET 38 H MET 38 3.151 0.684 -6.856 291 HA MET 38 HA MET 38 1.893 -0.031 -9.426 292 HB2 MET 38 2HB MET 38 0.564 -1.143 -7.821 293 HB3 MET 38 1HB MET 38 0.688 0.183 -6.668 294 HG2 MET 38 2HG MET 38 -0.752 1.558 -8.010 295 HG3 MET 38 1HG MET 38 -0.775 0.357 -9.295 296 HE1 MET 38 3HE MET 38 -1.116 -2.357 -7.762 297 HE2 MET 38 1HE MET 38 -2.081 -1.927 -9.174 298 HE3 MET 38 2HE MET 38 -2.870 -2.523 -7.713 299 HA PRO 39 HA PRO 39 1.832 4.435 -10.030 300 HB2 PRO 39 2HB PRO 39 0.160 4.297 -12.216 301 HB3 PRO 39 1HB PRO 39 1.915 4.125 -12.299 302 HG2 PRO 39 2HG PRO 39 -0.197 2.011 -12.266 303 HG3 PRO 39 1HG PRO 39 1.296 2.088 -13.220 304 HD2 PRO 39 2HD PRO 39 1.099 0.540 -11.029 305 HD3 PRO 39 1HD PRO 39 2.612 1.369 -11.452 306 H GLU 40 H GLU 40 0.462 5.853 -9.104 307 HA GLU 40 HA GLU 40 -1.890 4.876 -7.840 308 HB2 GLU 40 2HB GLU 40 -2.175 7.086 -6.950 309 HB3 GLU 40 1HB GLU 40 -0.465 6.700 -6.904 310 HG2 GLU 40 2HG GLU 40 -1.781 8.432 -8.978 311 HG3 GLU 40 1HG GLU 40 -0.948 9.024 -7.546 312 H GLY 41 H GLY 41 -3.846 4.728 -8.563 313 HA2 GLY 41 2HA GLY 41 -5.613 5.960 -9.938 314 HA3 GLY 41 1HA GLY 41 -4.442 5.802 -11.241 315 H LYS 42 H LYS 42 -3.602 3.149 -10.145 316 HA LYS 42 HA LYS 42 -5.234 1.467 -11.679 317 HB2 LYS 42 2HB LYS 42 -3.073 1.087 -9.701 318 HB3 LYS 42 1HB LYS 42 -4.153 -0.278 -9.921 319 HG2 LYS 42 2HG LYS 42 -3.662 0.066 -12.446 320 HG3 LYS 42 1HG LYS 42 -2.255 0.963 -11.859 321 HD2 LYS 42 2HD LYS 42 -1.531 -0.957 -10.574 322 HD3 LYS 42 1HD LYS 42 -2.974 -1.851 -11.042 323 HE2 LYS 42 2HE LYS 42 -2.177 -1.536 -13.444 324 HE3 LYS 42 1HE LYS 42 -0.635 -1.041 -12.737 325 HZ1 LYS 42 3HZ LYS 42 -0.812 -3.453 -13.331 326 HZ2 LYS 42 1HZ LYS 42 -1.966 -3.620 -12.102 327 HZ3 LYS 42 2HZ LYS 42 -0.382 -3.158 -11.717 328 H VAL 43 H VAL 43 -6.815 0.005 -11.157 329 HA VAL 43 HA VAL 43 -8.323 0.588 -8.729 330 HB VAL 43 HB VAL 43 -9.032 -1.263 -11.017 331 HG11 VAL 43 1HG1 VAL 43 -11.322 -1.103 -10.102 332 HG12 VAL 43 2HG1 VAL 43 -10.687 -0.188 -8.735 333 HG13 VAL 43 3HG1 VAL 43 -10.191 -1.863 -8.982 334 HG21 VAL 43 3HG2 VAL 43 -8.862 1.022 -11.806 335 HG22 VAL 43 1HG2 VAL 43 -9.879 1.583 -10.478 336 HG23 VAL 43 2HG2 VAL 43 -10.558 0.541 -11.728 337 H MET 44 H MET 44 -7.756 -0.476 -6.967 338 HA MET 44 HA MET 44 -6.585 -3.144 -7.142 339 HB2 MET 44 2HB MET 44 -7.051 -1.387 -4.730 340 HB3 MET 44 1HB MET 44 -6.096 -2.865 -4.778 341 HG2 MET 44 2HG MET 44 -4.658 -1.732 -6.496 342 HG3 MET 44 1HG MET 44 -5.510 -0.242 -6.099 343 HE1 MET 44 3HE MET 44 -5.877 0.010 -3.118 344 HE2 MET 44 1HE MET 44 -5.025 1.226 -4.070 345 HE3 MET 44 2HE MET 44 -4.317 0.625 -2.570 346 H GLU 45 H GLU 45 -8.108 -4.653 -7.430 347 HA GLU 45 HA GLU 45 -10.536 -4.473 -5.824 348 HB2 GLU 45 2HB GLU 45 -10.789 -4.844 -8.225 349 HB3 GLU 45 1HB GLU 45 -9.871 -6.334 -8.102 350 HG2 GLU 45 2HG GLU 45 -11.614 -7.217 -6.588 351 HG3 GLU 45 1HG GLU 45 -12.542 -5.741 -6.847 352 H THR 46 H THR 46 -10.591 -5.435 -4.008 353 HA THR 46 HA THR 46 -8.648 -7.257 -3.053 354 HB THR 46 HB THR 46 -10.077 -7.415 -1.072 355 HG1 THR 46 1HG THR 46 -12.176 -6.793 -1.123 356 HG21 THR 46 3HG2 THR 46 -10.322 -5.016 -0.558 357 HG22 THR 46 1HG2 THR 46 -10.055 -4.637 -2.262 358 HG23 THR 46 2HG2 THR 46 -8.766 -5.377 -1.308 359 H ARG 47 H ARG 47 -9.213 -9.518 -2.234 360 HA ARG 47 HA ARG 47 -10.471 -10.986 -4.346 361 HB2 ARG 47 2HB ARG 47 -9.428 -11.881 -1.665 362 HB3 ARG 47 1HB ARG 47 -10.058 -12.974 -2.890 363 HG2 ARG 47 2HG ARG 47 -8.309 -12.069 -4.449 364 HG3 ARG 47 1HG ARG 47 -7.614 -11.231 -3.060 365 HD2 ARG 47 2HD ARG 47 -6.441 -13.297 -3.365 366 HD3 ARG 47 1HD ARG 47 -7.427 -13.422 -1.909 367 HE ARG 47 HE ARG 47 -8.742 -14.419 -4.260 368 HH11 ARG 47 1HH1 ARG 47 -6.598 -15.239 -1.610 369 HH12 ARG 47 2HH1 ARG 47 -6.848 -16.952 -1.769 370 HH21 ARG 47 1HH2 ARG 47 -9.089 -16.645 -4.463 371 HH22 ARG 47 2HH2 ARG 47 -8.263 -17.759 -3.414 372 H ASP 48 H ASP 48 -11.868 -9.183 -2.036 373 HA ASP 48 HA ASP 48 -14.177 -10.981 -1.817 374 HB2 ASP 48 2HB ASP 48 -14.952 -9.108 -0.190 375 HB3 ASP 48 1HB ASP 48 -13.769 -10.289 0.353 376 H GLY 49 H GLY 49 -13.021 -8.726 -3.808 377 HA2 GLY 49 2HA GLY 49 -14.167 -7.970 -5.682 378 HA3 GLY 49 1HA GLY 49 -15.686 -8.272 -4.868 379 H THR 50 H THR 50 -13.114 -6.399 -3.413 380 HA THR 50 HA THR 50 -14.879 -4.053 -3.516 381 HB THR 50 HB THR 50 -12.444 -4.527 -1.788 382 HG1 THR 50 1HG THR 50 -13.890 -5.923 -0.962 383 HG21 THR 50 3HG2 THR 50 -13.342 -2.663 -0.453 384 HG22 THR 50 1HG2 THR 50 -14.634 -2.445 -1.634 385 HG23 THR 50 2HG2 THR 50 -12.956 -2.156 -2.098 386 H LYS 51 H LYS 51 -14.448 -2.434 -4.813 387 HA LYS 51 HA LYS 51 -11.945 -2.374 -6.269 388 HB2 LYS 51 2HB LYS 51 -14.451 -0.705 -6.480 389 HB3 LYS 51 1HB LYS 51 -13.083 -0.608 -7.554 390 HG2 LYS 51 2HG LYS 51 -14.683 -3.104 -7.168 391 HG3 LYS 51 1HG LYS 51 -15.067 -1.884 -8.381 392 HD2 LYS 51 2HD LYS 51 -12.722 -2.185 -9.253 393 HD3 LYS 51 1HD LYS 51 -12.598 -3.588 -8.185 394 HE2 LYS 51 2HE LYS 51 -14.467 -4.640 -9.269 395 HE3 LYS 51 1HE LYS 51 -14.754 -3.204 -10.247 396 HZ1 LYS 51 3HZ LYS 51 -12.554 -3.561 -11.272 397 HZ2 LYS 51 1HZ LYS 51 -13.619 -4.848 -11.550 398 HZ3 LYS 51 2HZ LYS 51 -12.400 -5.008 -10.392 399 H ILE 52 H ILE 52 -10.308 -1.390 -5.205 400 HA ILE 52 HA ILE 52 -10.861 1.239 -3.988 401 HB ILE 52 HB ILE 52 -8.658 -0.713 -3.279 402 HG12 ILE 52 2HG1 ILE 52 -11.102 0.115 -1.696 403 HG13 ILE 52 1HG1 ILE 52 -10.903 -1.429 -2.519 404 HG21 ILE 52 1HG2 ILE 52 -8.190 0.833 -1.415 405 HG22 ILE 52 2HG2 ILE 52 -9.378 1.957 -2.077 406 HG23 ILE 52 3HG2 ILE 52 -7.921 1.573 -2.994 407 HD11 ILE 52 3HD1 ILE 52 -9.253 -0.410 -0.217 408 HD12 ILE 52 1HD1 ILE 52 -9.000 -1.942 -1.056 409 HD13 ILE 52 2HD1 ILE 52 -10.489 -1.665 -0.152 410 H ILE 53 H ILE 53 -10.176 2.809 -5.340 411 HA ILE 53 HA ILE 53 -8.077 2.262 -7.268 412 HB ILE 53 HB ILE 53 -9.766 4.723 -6.788 413 HG12 ILE 53 2HG1 ILE 53 -10.442 4.148 -9.207 414 HG13 ILE 53 1HG1 ILE 53 -9.705 2.582 -8.909 415 HG21 ILE 53 1HG2 ILE 53 -8.742 5.676 -8.805 416 HG22 ILE 53 2HG2 ILE 53 -7.605 4.328 -8.855 417 HG23 ILE 53 3HG2 ILE 53 -7.574 5.460 -7.503 418 HD11 ILE 53 3HD1 ILE 53 -12.099 2.486 -8.578 419 HD12 ILE 53 1HD1 ILE 53 -12.008 3.784 -7.388 420 HD13 ILE 53 2HD1 ILE 53 -11.258 2.224 -7.050 421 H MET 54 H MET 54 -6.021 2.548 -6.845 422 HA MET 54 HA MET 54 -5.208 3.779 -4.364 423 HB2 MET 54 2HB MET 54 -4.082 1.727 -5.358 424 HB3 MET 54 1HB MET 54 -3.390 2.782 -6.569 425 HG2 MET 54 2HG MET 54 -2.110 3.941 -5.014 426 HG3 MET 54 1HG MET 54 -3.043 3.339 -3.658 427 HE1 MET 54 3HE MET 54 -2.335 1.423 -2.209 428 HE2 MET 54 1HE MET 54 -1.124 2.708 -2.198 429 HE3 MET 54 2HE MET 54 -0.618 1.020 -2.246 430 H LYS 55 H LYS 55 -5.927 6.003 -4.850 431 HA LYS 55 HA LYS 55 -3.773 7.441 -6.177 432 HB2 LYS 55 2HB LYS 55 -5.720 6.832 -7.833 433 HB3 LYS 55 1HB LYS 55 -6.553 8.156 -7.031 434 HG2 LYS 55 2HG LYS 55 -4.683 9.652 -7.613 435 HG3 LYS 55 1HG LYS 55 -3.924 8.319 -8.485 436 HD2 LYS 55 2HD LYS 55 -6.001 8.175 -9.889 437 HD3 LYS 55 1HD LYS 55 -6.559 9.654 -9.104 438 HE2 LYS 55 2HE LYS 55 -5.561 10.341 -11.128 439 HE3 LYS 55 1HE LYS 55 -4.392 10.716 -9.864 440 HZ1 LYS 55 3HZ LYS 55 -3.303 8.547 -10.433 441 HZ2 LYS 55 1HZ LYS 55 -3.209 9.727 -11.644 442 HZ3 LYS 55 2HZ LYS 55 -4.315 8.453 -11.784 443 H GLY 56 H GLY 56 -3.497 9.520 -5.461 444 HA2 GLY 56 2HA GLY 56 -3.883 11.481 -4.332 445 HA3 GLY 56 1HA GLY 56 -5.559 10.990 -4.148 446 H ASN 57 H ASN 57 -6.172 9.783 -2.348 447 HA ASN 57 HA ASN 57 -4.904 10.621 0.020 448 HB2 ASN 57 2HB ASN 57 -6.627 9.454 1.209 449 HB3 ASN 57 1HB ASN 57 -7.345 10.200 -0.207 450 HD21 ASN 57 1HD2 ASN 57 -6.455 8.161 -2.086 451 HD22 ASN 57 2HD2 ASN 57 -7.373 6.737 -1.743 452 H GLU 58 H GLU 58 -4.132 8.032 -1.965 453 HA GLU 58 HA GLU 58 -2.675 6.690 0.208 454 HB2 GLU 58 2HB GLU 58 -3.210 4.552 -1.188 455 HB3 GLU 58 1HB GLU 58 -4.429 5.204 -0.098 456 HG2 GLU 58 2HG GLU 58 -5.415 6.405 -2.033 457 HG3 GLU 58 1HG GLU 58 -4.284 5.555 -3.081 458 H ILE 59 H ILE 59 -1.722 8.639 -1.654 459 HA ILE 59 HA ILE 59 -0.446 7.327 -3.859 460 HB ILE 59 HB ILE 59 -1.314 9.669 -3.911 461 HG12 ILE 59 2HG1 ILE 59 1.629 9.414 -4.554 462 HG13 ILE 59 1HG1 ILE 59 0.319 8.802 -5.559 463 HG21 ILE 59 1HG2 ILE 59 -0.589 10.421 -1.734 464 HG22 ILE 59 2HG2 ILE 59 0.097 11.460 -2.984 465 HG23 ILE 59 3HG2 ILE 59 1.103 10.238 -2.200 466 HD11 ILE 59 3HD1 ILE 59 0.782 11.691 -4.855 467 HD12 ILE 59 1HD1 ILE 59 -0.498 11.067 -5.894 468 HD13 ILE 59 2HD1 ILE 59 1.188 10.923 -6.390 469 H PHE 60 H PHE 60 0.416 7.790 -0.583 470 HA PHE 60 HA PHE 60 3.198 8.177 -0.779 471 HB2 PHE 60 2HB PHE 60 1.967 8.509 1.312 472 HB3 PHE 60 1HB PHE 60 1.616 6.788 1.394 473 HD1 PHE 60 1HD PHE 60 4.381 9.258 1.456 474 HD2 PHE 60 2HD PHE 60 3.116 5.306 2.401 475 HE1 PHE 60 1HE PHE 60 6.450 8.905 2.734 476 HE2 PHE 60 2HE PHE 60 5.186 4.947 3.682 477 HZ PHE 60 HZ PHE 60 6.880 6.734 3.810 478 H ARG 61 H ARG 61 1.438 5.172 -0.088 479 HA ARG 61 HA ARG 61 1.724 3.049 -0.743 480 HB2 ARG 61 2HB ARG 61 3.606 4.324 -2.702 481 HB3 ARG 61 1HB ARG 61 3.358 2.583 -2.641 482 HG2 ARG 61 2HG ARG 61 1.113 2.761 -3.267 483 HG3 ARG 61 1HG ARG 61 1.056 4.486 -2.896 484 HD2 ARG 61 2HD ARG 61 2.769 3.315 -5.077 485 HD3 ARG 61 1HD ARG 61 1.121 3.885 -5.342 486 HE ARG 61 HE ARG 61 2.677 5.884 -4.064 487 HH11 ARG 61 1HH1 ARG 61 2.199 4.353 -7.188 488 HH12 ARG 61 2HH1 ARG 61 2.675 5.765 -8.089 489 HH21 ARG 61 1HH2 ARG 61 3.306 7.722 -5.246 490 HH22 ARG 61 2HH2 ARG 61 3.282 7.687 -6.978 491 H LEU 62 H LEU 62 5.188 3.661 -1.324 492 HA LEU 62 HA LEU 62 5.759 2.069 1.024 493 HB2 LEU 62 2HB LEU 62 5.382 0.864 -1.483 494 HB3 LEU 62 1HB LEU 62 7.117 0.907 -1.242 495 HG LEU 62 HG LEU 62 6.232 -1.208 -0.471 496 HD11 LEU 62 1HD1 LEU 62 7.044 0.571 1.817 497 HD12 LEU 62 2HD1 LEU 62 8.113 -0.371 0.775 498 HD13 LEU 62 3HD1 LEU 62 6.994 -1.190 1.869 499 HD21 LEU 62 3HD2 LEU 62 3.949 -0.516 -0.003 500 HD22 LEU 62 1HD2 LEU 62 4.506 0.403 1.396 501 HD23 LEU 62 2HD2 LEU 62 4.657 -1.354 1.378 502 H ASP 63 H ASP 63 7.196 3.247 1.909 503 HA ASP 63 HA ASP 63 9.050 4.988 0.835 504 HB2 ASP 63 2HB ASP 63 10.233 4.862 2.954 505 HB3 ASP 63 1HB ASP 63 8.497 4.849 3.246 506 H GLU 64 H GLU 64 9.173 1.522 0.922 507 HA GLU 64 HA GLU 64 12.013 1.339 0.554 508 HB2 GLU 64 2HB GLU 64 9.862 -0.741 0.125 509 HB3 GLU 64 1HB GLU 64 11.595 -1.053 0.133 510 HG2 GLU 64 2HG GLU 64 11.668 -0.175 2.456 511 HG3 GLU 64 1HG GLU 64 9.910 -0.081 2.422 512 H ALA 65 H ALA 65 9.283 1.754 -1.521 513 HA ALA 65 HA ALA 65 10.770 1.059 -3.920 514 HB1 ALA 65 1HB ALA 65 8.017 2.269 -3.641 515 HB2 ALA 65 2HB ALA 65 8.363 0.545 -3.772 516 HB3 ALA 65 3HB ALA 65 8.732 1.623 -5.118 517 H LEU 66 H LEU 66 9.707 3.830 -2.115 518 HA LEU 66 HA LEU 66 10.701 5.727 -4.059 519 HB2 LEU 66 2HB LEU 66 9.545 6.096 -1.298 520 HB3 LEU 66 1HB LEU 66 9.967 7.392 -2.391 521 HG LEU 66 HG LEU 66 7.842 5.312 -2.903 522 HD11 LEU 66 1HD1 LEU 66 7.212 6.863 -1.130 523 HD12 LEU 66 2HD1 LEU 66 6.267 7.153 -2.591 524 HD13 LEU 66 3HD1 LEU 66 7.600 8.228 -2.178 525 HD21 LEU 66 3HD2 LEU 66 8.885 6.093 -4.965 526 HD22 LEU 66 1HD2 LEU 66 8.619 7.766 -4.477 527 HD23 LEU 66 2HD2 LEU 66 7.242 6.718 -4.817 528 H ARG 67 H ARG 67 12.210 3.738 -2.086 529 HA ARG 67 HA ARG 67 13.719 5.035 -0.231 530 HB2 ARG 67 2HB ARG 67 13.620 2.592 -0.639 531 HB3 ARG 67 1HB ARG 67 14.637 2.812 -2.056 532 HG2 ARG 67 2HG ARG 67 16.094 2.110 -0.421 533 HG3 ARG 67 1HG ARG 67 16.329 3.855 -0.448 534 HD2 ARG 67 2HD ARG 67 16.200 3.332 1.829 535 HD3 ARG 67 1HD ARG 67 14.587 3.923 1.432 536 HE ARG 67 HE ARG 67 15.110 1.032 1.410 537 HH11 ARG 67 1HH1 ARG 67 13.421 3.782 2.758 538 HH12 ARG 67 2HH1 ARG 67 12.378 2.821 3.760 539 HH21 ARG 67 1HH2 ARG 67 13.804 -0.234 2.777 540 HH22 ARG 67 2HH2 ARG 67 12.617 0.531 3.787 541 H LYS 68 H LYS 68 15.292 4.017 -3.226 542 HA LYS 68 HA LYS 68 16.948 4.881 -4.488 543 HB2 LYS 68 2HB LYS 68 15.701 7.483 -3.612 544 HB3 LYS 68 1HB LYS 68 17.048 7.400 -4.742 545 HG2 LYS 68 2HG LYS 68 14.315 6.197 -5.114 546 HG3 LYS 68 1HG LYS 68 14.971 7.606 -5.949 547 HD2 LYS 68 2HD LYS 68 16.709 6.198 -6.952 548 HD3 LYS 68 1HD LYS 68 16.049 4.792 -6.117 549 HE2 LYS 68 2HE LYS 68 14.660 6.457 -8.211 550 HE3 LYS 68 1HE LYS 68 15.301 4.830 -8.419 551 HZ1 LYS 68 3HZ LYS 68 12.996 4.606 -8.087 552 HZ2 LYS 68 1HZ LYS 68 12.991 5.672 -6.767 553 HZ3 LYS 68 2HZ LYS 68 13.710 4.140 -6.618 554 H GLY 69 H GLY 69 16.914 7.261 -1.835 555 HA2 GLY 69 2HA GLY 69 19.781 6.920 -1.497 556 HA3 GLY 69 1HA GLY 69 18.754 8.063 -0.639 557 H HIS 70 H HIS 70 20.667 6.612 0.720 558 HA HIS 70 HA HIS 70 19.784 4.128 1.720 559 HB2 HIS 70 2HB HIS 70 22.136 4.928 1.844 560 HB3 HIS 70 1HB HIS 70 21.649 6.107 3.056 561 HD1 HIS 70 1HD HIS 70 21.467 2.320 2.615 562 HD2 HIS 70 2HD HIS 70 22.046 5.197 5.568 563 HE1 HIS 70 1HE HIS 70 21.910 1.039 4.736 564 HE2 HIS 70 2HE HIS 70 22.042 2.791 6.537 565 H SER 71 H SER 71 18.576 3.539 3.432 566 HA SER 71 HA SER 71 17.145 3.615 5.166 567 HB2 SER 71 2HB SER 71 18.227 6.391 5.688 568 HB3 SER 71 1HB SER 71 17.292 5.409 6.815 569 HG SER 71 HG SER 71 19.081 3.806 6.470 570 H GLU 72 H GLU 72 16.902 7.095 4.583 571 HA GLU 72 HA GLU 72 14.192 6.624 3.533 572 HB2 GLU 72 2HB GLU 72 13.438 8.618 4.767 573 HB3 GLU 72 1HB GLU 72 14.040 7.374 5.852 574 HG2 GLU 72 2HG GLU 72 16.160 8.576 6.057 575 HG3 GLU 72 1HG GLU 72 15.551 9.824 4.970 576 H GLY 73 H GLY 73 17.063 7.474 2.562 577 HA2 GLY 73 2HA GLY 73 17.531 8.566 0.513 578 HA3 GLY 73 1HA GLY 73 16.058 9.509 0.706 579 H GLY 74 H GLY 74 18.971 8.957 2.681 580 HA2 GLY 74 2HA GLY 74 19.920 11.613 2.370 581 HA3 GLY 74 1HA GLY 74 19.064 11.436 3.897 Start of MODEL 19 1 H1 VAL 1 1HT VAL 1 9.922 -2.558 7.150 2 H2 VAL 1 2HT VAL 1 9.236 -2.225 5.633 3 H3 VAL 1 3HT VAL 1 8.757 -3.601 6.496 4 HA VAL 1 HA VAL 1 8.296 -0.798 7.339 5 HB VAL 1 HB VAL 1 6.273 -2.878 6.475 6 HG11 VAL 1 2HG1 VAL 1 4.708 -0.982 6.471 7 HG12 VAL 1 3HG1 VAL 1 5.992 0.065 7.076 8 HG13 VAL 1 1HG1 VAL 1 5.399 -1.266 8.070 9 HG21 VAL 1 1HG2 VAL 1 5.971 -1.543 4.445 10 HG22 VAL 1 2HG2 VAL 1 7.607 -2.192 4.551 11 HG23 VAL 1 3HG2 VAL 1 7.303 -0.498 4.934 12 H ASP 2 H ASP 2 7.391 -0.521 9.313 13 HA ASP 2 HA ASP 2 8.101 -2.373 11.297 14 HB2 ASP 2 2HB ASP 2 6.942 -0.815 12.838 15 HB3 ASP 2 1HB ASP 2 8.076 -0.002 11.773 16 H MET 3 H MET 3 5.295 -1.962 9.500 17 HA MET 3 HA MET 3 3.204 -2.850 9.480 18 HB2 MET 3 2HB MET 3 4.674 -5.099 10.853 19 HB3 MET 3 1HB MET 3 3.066 -5.228 10.155 20 HG2 MET 3 2HG MET 3 5.336 -4.278 8.473 21 HG3 MET 3 1HG MET 3 5.155 -5.991 8.806 22 HE1 MET 3 3HE MET 3 3.756 -2.862 6.932 23 HE2 MET 3 1HE MET 3 2.478 -3.115 8.121 24 HE3 MET 3 2HE MET 3 2.161 -3.404 6.411 25 H SER 4 H SER 4 4.144 -1.354 11.993 26 HA SER 4 HA SER 4 2.095 -2.337 13.845 27 HB2 SER 4 2HB SER 4 4.257 -1.856 14.855 28 HB3 SER 4 1HB SER 4 4.248 -0.231 14.171 29 HG SER 4 HG SER 4 2.359 0.177 15.454 30 H ASN 5 H ASN 5 3.032 0.394 11.868 31 HA ASN 5 HA ASN 5 0.870 2.070 12.731 32 HB2 ASN 5 2HB ASN 5 2.955 2.288 10.578 33 HB3 ASN 5 1HB ASN 5 1.640 3.453 10.691 34 HD21 ASN 5 1HD2 ASN 5 4.528 3.789 11.037 35 HD22 ASN 5 2HD2 ASN 5 4.715 4.496 12.613 36 H VAL 6 H VAL 6 0.906 -0.583 10.757 37 HA VAL 6 HA VAL 6 -0.980 0.408 8.803 38 HB VAL 6 HB VAL 6 0.587 -1.280 8.060 39 HG11 VAL 6 1HG1 VAL 6 0.539 -3.568 8.920 40 HG12 VAL 6 2HG1 VAL 6 -0.618 -3.071 10.158 41 HG13 VAL 6 3HG1 VAL 6 1.014 -2.403 10.155 42 HG21 VAL 6 3HG2 VAL 6 -1.612 -1.287 7.015 43 HG22 VAL 6 1HG2 VAL 6 -2.201 -2.416 8.235 44 HG23 VAL 6 2HG2 VAL 6 -0.949 -2.920 7.099 45 H VAL 7 H VAL 7 -3.148 0.231 8.875 46 HA VAL 7 HA VAL 7 -4.274 -0.930 11.322 47 HB VAL 7 HB VAL 7 -4.790 1.420 11.056 48 HG11 VAL 7 1HG1 VAL 7 -6.158 2.248 9.192 49 HG12 VAL 7 2HG1 VAL 7 -6.031 0.671 8.412 50 HG13 VAL 7 3HG1 VAL 7 -4.586 1.652 8.661 51 HG21 VAL 7 3HG2 VAL 7 -7.220 -0.279 10.508 52 HG22 VAL 7 1HG2 VAL 7 -7.223 1.340 11.206 53 HG23 VAL 7 2HG2 VAL 7 -6.485 0.002 12.085 54 H LYS 8 H LYS 8 -4.544 -0.976 7.806 55 HA LYS 8 HA LYS 8 -6.022 -3.493 8.050 56 HB2 LYS 8 2HB LYS 8 -6.986 -1.026 6.773 57 HB3 LYS 8 1HB LYS 8 -7.116 -2.464 5.778 58 HG2 LYS 8 2HG LYS 8 -8.063 -2.598 8.577 59 HG3 LYS 8 1HG LYS 8 -9.056 -1.748 7.387 60 HD2 LYS 8 2HD LYS 8 -8.869 -3.834 5.960 61 HD3 LYS 8 1HD LYS 8 -8.168 -4.631 7.371 62 HE2 LYS 8 2HE LYS 8 -10.874 -3.299 7.302 63 HE3 LYS 8 1HE LYS 8 -10.604 -5.029 7.118 64 HZ1 LYS 8 3HZ LYS 8 -11.239 -4.223 9.403 65 HZ2 LYS 8 1HZ LYS 8 -9.700 -3.529 9.505 66 HZ3 LYS 8 2HZ LYS 8 -9.862 -5.205 9.325 67 H THR 9 H THR 9 -5.628 -4.959 6.557 68 HA THR 9 HA THR 9 -3.817 -4.278 4.354 69 HB THR 9 HB THR 9 -3.472 -6.698 6.139 70 HG1 THR 9 1HG THR 9 -2.035 -5.550 7.193 71 HG21 THR 9 3HG2 THR 9 -1.838 -5.703 3.805 72 HG22 THR 9 1HG2 THR 9 -2.867 -7.136 3.812 73 HG23 THR 9 2HG2 THR 9 -1.430 -7.075 4.836 74 H TYR 10 H TYR 10 -4.919 -4.718 2.576 75 HA TYR 10 HA TYR 10 -6.955 -6.816 2.617 76 HB2 TYR 10 2HB TYR 10 -6.353 -4.859 0.394 77 HB3 TYR 10 1HB TYR 10 -7.791 -5.851 0.578 78 HD1 TYR 10 2HD TYR 10 -9.426 -5.316 2.386 79 HD2 TYR 10 1HD TYR 10 -6.188 -2.721 1.450 80 HE1 TYR 10 2HE TYR 10 -10.554 -3.505 3.588 81 HE2 TYR 10 1HE TYR 10 -7.313 -0.884 2.653 82 HH TYR 10 HH TYR 10 -9.587 -0.242 3.367 83 H ASP 11 H ASP 11 -6.769 -8.686 1.505 84 HA ASP 11 HA ASP 11 -4.298 -9.231 0.083 85 HB2 ASP 11 2HB ASP 11 -6.655 -10.949 0.865 86 HB3 ASP 11 1HB ASP 11 -5.414 -11.536 -0.233 87 H LEU 12 H LEU 12 -4.154 -8.576 -1.965 88 HA LEU 12 HA LEU 12 -6.505 -8.189 -3.579 89 HB2 LEU 12 2HB LEU 12 -3.560 -7.840 -4.101 90 HB3 LEU 12 1HB LEU 12 -4.751 -7.659 -5.366 91 HG LEU 12 HG LEU 12 -4.272 -5.477 -4.664 92 HD11 LEU 12 1HD1 LEU 12 -6.335 -4.669 -3.641 93 HD12 LEU 12 2HD1 LEU 12 -6.762 -6.323 -3.207 94 HD13 LEU 12 3HD1 LEU 12 -6.647 -5.859 -4.905 95 HD21 LEU 12 3HD2 LEU 12 -3.066 -5.955 -2.633 96 HD22 LEU 12 1HD2 LEU 12 -4.558 -6.435 -1.824 97 HD23 LEU 12 2HD2 LEU 12 -4.320 -4.756 -2.312 98 H GLN 13 H GLN 13 -7.193 -9.404 -5.266 99 HA GLN 13 HA GLN 13 -6.504 -12.160 -5.287 100 HB2 GLN 13 2HB GLN 13 -8.007 -12.226 -7.307 101 HB3 GLN 13 1HB GLN 13 -8.744 -11.572 -5.853 102 HG2 GLN 13 2HG GLN 13 -8.360 -9.304 -6.707 103 HG3 GLN 13 1HG GLN 13 -7.669 -9.991 -8.175 104 HE21 GLN 13 1HE2 GLN 13 -10.574 -9.464 -6.343 105 HE22 GLN 13 2HE2 GLN 13 -11.685 -9.852 -7.613 106 H ASP 14 H ASP 14 -5.212 -9.442 -6.823 107 HA ASP 14 HA ASP 14 -4.202 -10.725 -9.169 108 HB2 ASP 14 2HB ASP 14 -4.732 -8.291 -9.010 109 HB3 ASP 14 1HB ASP 14 -3.351 -8.108 -7.939 110 H GLY 15 H GLY 15 -3.289 -10.839 -5.954 111 HA2 GLY 15 2HA GLY 15 -1.534 -12.347 -5.301 112 HA3 GLY 15 1HA GLY 15 -0.635 -11.858 -6.731 113 H SER 16 H SER 16 -1.856 -9.084 -5.663 114 HA SER 16 HA SER 16 0.556 -8.389 -4.197 115 HB2 SER 16 2HB SER 16 -0.909 -6.088 -4.377 116 HB3 SER 16 1HB SER 16 0.265 -6.622 -5.578 117 HG SER 16 HG SER 16 -1.351 -6.679 -6.906 118 H LYS 17 H LYS 17 0.098 -6.663 -2.396 119 HA LYS 17 HA LYS 17 -2.308 -7.177 -0.880 120 HB2 LYS 17 2HB LYS 17 -0.622 -9.014 -0.327 121 HB3 LYS 17 1HB LYS 17 0.357 -7.750 0.405 122 HG2 LYS 17 2HG LYS 17 -1.095 -7.448 2.154 123 HG3 LYS 17 1HG LYS 17 -2.482 -8.066 1.249 124 HD2 LYS 17 2HD LYS 17 -1.499 -10.323 1.332 125 HD3 LYS 17 1HD LYS 17 -0.166 -9.689 2.300 126 HE2 LYS 17 2HE LYS 17 -1.573 -9.235 4.128 127 HE3 LYS 17 1HE LYS 17 -3.032 -9.393 3.146 128 HZ1 LYS 17 3HZ LYS 17 -2.719 -11.720 2.985 129 HZ2 LYS 17 1HZ LYS 17 -2.559 -11.317 4.626 130 HZ3 LYS 17 2HZ LYS 17 -1.179 -11.643 3.701 131 H VAL 18 H VAL 18 -2.884 -5.350 0.108 132 HA VAL 18 HA VAL 18 -0.902 -3.181 0.073 133 HB VAL 18 HB VAL 18 -2.864 -2.762 -1.310 134 HG11 VAL 18 1HG1 VAL 18 -4.470 -3.048 1.217 135 HG12 VAL 18 2HG1 VAL 18 -4.492 -4.143 -0.167 136 HG13 VAL 18 3HG1 VAL 18 -5.085 -2.490 -0.338 137 HG21 VAL 18 3HG2 VAL 18 -3.580 -0.617 -0.319 138 HG22 VAL 18 1HG2 VAL 18 -1.829 -0.848 -0.304 139 HG23 VAL 18 2HG2 VAL 18 -2.767 -1.071 1.178 140 H HIS 19 H HIS 19 -0.204 -2.367 1.951 141 HA HIS 19 HA HIS 19 -1.708 -3.073 4.386 142 HB2 HIS 19 2HB HIS 19 1.039 -1.919 4.568 143 HB3 HIS 19 1HB HIS 19 0.267 -3.124 5.586 144 HD1 HIS 19 1HD HIS 19 0.197 -5.627 4.524 145 HD2 HIS 19 2HD HIS 19 2.777 -2.888 2.749 146 HE1 HIS 19 1HE HIS 19 1.755 -7.010 3.087 147 HE2 HIS 19 2HE HIS 19 3.465 -5.335 2.253 148 H VAL 20 H VAL 20 -3.137 -1.449 4.673 149 HA VAL 20 HA VAL 20 -2.436 1.299 3.983 150 HB VAL 20 HB VAL 20 -4.999 0.384 5.281 151 HG11 VAL 20 1HG1 VAL 20 -5.946 2.309 4.135 152 HG12 VAL 20 2HG1 VAL 20 -4.378 2.652 3.397 153 HG13 VAL 20 3HG1 VAL 20 -4.581 2.789 5.146 154 HG21 VAL 20 3HG2 VAL 20 -4.667 -1.069 3.376 155 HG22 VAL 20 1HG2 VAL 20 -4.326 0.319 2.343 156 HG23 VAL 20 2HG2 VAL 20 -5.938 0.102 3.022 157 H PHE 21 H PHE 21 -1.597 2.656 5.369 158 HA PHE 21 HA PHE 21 -1.385 1.786 8.137 159 HB2 PHE 21 2HB PHE 21 -0.026 4.153 6.866 160 HB3 PHE 21 1HB PHE 21 0.418 3.319 8.343 161 HD1 PHE 21 2HD PHE 21 1.221 0.901 8.168 162 HD2 PHE 21 1HD PHE 21 0.914 3.510 4.815 163 HE1 PHE 21 2HE PHE 21 2.776 -0.525 6.916 164 HE2 PHE 21 1HE PHE 21 2.471 2.083 3.561 165 HZ PHE 21 HZ PHE 21 3.406 0.064 4.611 166 H LYS 22 H LYS 22 -1.580 3.361 9.838 167 HA LYS 22 HA LYS 22 -4.088 4.666 9.794 168 HB2 LYS 22 2HB LYS 22 -1.793 4.670 11.744 169 HB3 LYS 22 1HB LYS 22 -3.311 5.503 12.061 170 HG2 LYS 22 2HG LYS 22 -4.527 3.438 12.005 171 HG3 LYS 22 1HG LYS 22 -3.099 2.559 11.462 172 HD2 LYS 22 2HD LYS 22 -3.336 3.975 14.116 173 HD3 LYS 22 1HD LYS 22 -3.600 2.248 13.874 174 HE2 LYS 22 2HE LYS 22 -1.292 2.049 13.018 175 HE3 LYS 22 1HE LYS 22 -1.039 3.759 13.362 176 HZ1 LYS 22 3HZ LYS 22 -1.507 3.278 15.717 177 HZ2 LYS 22 1HZ LYS 22 -0.155 2.428 15.143 178 HZ3 LYS 22 2HZ LYS 22 -1.631 1.626 15.349 179 H ASP 23 H ASP 23 -1.167 5.650 8.547 180 HA ASP 23 HA ASP 23 -1.286 8.441 9.164 181 HB2 ASP 23 2HB ASP 23 0.812 7.230 8.489 182 HB3 ASP 23 1HB ASP 23 0.152 7.112 6.856 183 H GLY 24 H GLY 24 -2.729 6.358 6.810 184 HA2 GLY 24 2HA GLY 24 -4.804 7.299 5.842 185 HA3 GLY 24 1HA GLY 24 -3.868 8.738 5.477 186 H LYS 25 H LYS 25 -1.585 6.758 4.760 187 HA LYS 25 HA LYS 25 -2.515 6.407 2.007 188 HB2 LYS 25 2HB LYS 25 0.330 6.490 3.029 189 HB3 LYS 25 1HB LYS 25 -0.147 6.325 1.337 190 HG2 LYS 25 2HG LYS 25 0.363 8.559 1.486 191 HG3 LYS 25 1HG LYS 25 -1.378 8.578 1.749 192 HD2 LYS 25 2HD LYS 25 -1.016 8.696 4.160 193 HD3 LYS 25 1HD LYS 25 0.730 8.652 3.905 194 HE2 LYS 25 2HE LYS 25 0.111 10.926 4.258 195 HE3 LYS 25 1HE LYS 25 0.505 10.737 2.550 196 HZ1 LYS 25 3HZ LYS 25 -1.902 10.543 2.106 197 HZ2 LYS 25 1HZ LYS 25 -1.471 12.044 2.766 198 HZ3 LYS 25 2HZ LYS 25 -2.209 10.874 3.739 199 H MET 26 H MET 26 -1.399 4.527 0.871 200 HA MET 26 HA MET 26 -1.628 2.212 2.666 201 HB2 MET 26 2HB MET 26 -2.245 2.186 -0.281 202 HB3 MET 26 1HB MET 26 -2.652 0.970 0.922 203 HG2 MET 26 2HG MET 26 -4.119 2.704 1.999 204 HG3 MET 26 1HG MET 26 -3.851 3.692 0.564 205 HE1 MET 26 3HE MET 26 -6.126 3.913 -0.506 206 HE2 MET 26 1HE MET 26 -6.654 3.403 1.107 207 HE3 MET 26 2HE MET 26 -7.382 2.678 -0.326 208 H GLY 27 H GLY 27 0.012 0.877 2.759 209 HA2 GLY 27 2HA GLY 27 2.327 1.282 1.092 210 HA3 GLY 27 1HA GLY 27 2.133 0.066 2.347 211 H MET 28 H MET 28 1.863 0.797 -0.959 212 HA MET 28 HA MET 28 0.333 -1.545 -1.637 213 HB2 MET 28 2HB MET 28 -0.002 0.466 -2.927 214 HB3 MET 28 1HB MET 28 1.707 0.539 -3.328 215 HG2 MET 28 2HG MET 28 0.940 -0.371 -5.236 216 HG3 MET 28 1HG MET 28 1.216 -1.839 -4.307 217 HE1 MET 28 3HE MET 28 -1.423 -1.369 -2.274 218 HE2 MET 28 1HE MET 28 -0.992 -2.986 -2.844 219 HE3 MET 28 2HE MET 28 -2.631 -2.372 -3.080 220 H GLU 29 H GLU 29 1.351 -3.407 -1.364 221 HA GLU 29 HA GLU 29 3.958 -3.765 -2.673 222 HB2 GLU 29 2HB GLU 29 3.937 -3.594 -0.067 223 HB3 GLU 29 1HB GLU 29 3.198 -5.185 -0.146 224 HG2 GLU 29 2HG GLU 29 5.373 -5.782 0.084 225 HG3 GLU 29 1HG GLU 29 5.269 -5.709 -1.675 226 H ASN 30 H ASN 30 4.339 -6.252 -2.931 227 HA ASN 30 HA ASN 30 1.813 -7.537 -3.585 228 HB2 ASN 30 2HB ASN 30 3.131 -9.372 -4.498 229 HB3 ASN 30 1HB ASN 30 3.686 -7.838 -5.150 230 HD21 ASN 30 1HD2 ASN 30 5.647 -8.662 -5.728 231 HD22 ASN 30 2HD2 ASN 30 6.874 -9.061 -4.582 232 H LYS 31 H LYS 31 1.725 -9.979 -2.755 233 HA LYS 31 HA LYS 31 1.217 -9.602 -0.012 234 HB2 LYS 31 2HB LYS 31 0.289 -11.751 0.005 235 HB3 LYS 31 1HB LYS 31 0.048 -11.189 -1.641 236 HG2 LYS 31 2HG LYS 31 0.781 -13.306 -2.034 237 HG3 LYS 31 1HG LYS 31 2.320 -12.442 -2.056 238 HD2 LYS 31 2HD LYS 31 2.805 -14.221 -0.661 239 HD3 LYS 31 1HD LYS 31 2.336 -12.964 0.497 240 HE2 LYS 31 2HE LYS 31 0.149 -13.907 0.726 241 HE3 LYS 31 1HE LYS 31 0.441 -15.045 -0.590 242 HZ1 LYS 31 3HZ LYS 31 1.952 -16.248 0.715 243 HZ2 LYS 31 1HZ LYS 31 0.629 -15.963 1.729 244 HZ3 LYS 31 2HZ LYS 31 2.049 -15.050 1.903 245 H PHE 32 H PHE 32 4.087 -10.638 -1.604 246 HA PHE 32 HA PHE 32 5.070 -12.109 0.703 247 HB2 PHE 32 2HB PHE 32 6.269 -11.603 -2.022 248 HB3 PHE 32 1HB PHE 32 7.091 -12.496 -0.745 249 HD1 PHE 32 2HD PHE 32 5.965 -14.583 0.162 250 HD2 PHE 32 1HD PHE 32 4.760 -12.658 -3.437 251 HE1 PHE 32 2HE PHE 32 4.854 -16.654 -0.569 252 HE2 PHE 32 1HE PHE 32 3.650 -14.726 -4.176 253 HZ PHE 32 HZ PHE 32 3.628 -16.707 -2.688 254 H GLY 33 H GLY 33 5.152 -8.930 -0.460 255 HA2 GLY 33 2HA GLY 33 6.022 -7.114 0.735 256 HA3 GLY 33 1HA GLY 33 7.023 -8.223 1.660 257 H LYS 34 H LYS 34 6.914 -8.334 -1.820 258 HA LYS 34 HA LYS 34 9.695 -7.397 -1.892 259 HB2 LYS 34 2HB LYS 34 8.856 -9.614 -2.986 260 HB3 LYS 34 1HB LYS 34 8.233 -8.553 -4.240 261 HG2 LYS 34 2HG LYS 34 10.366 -9.390 -4.924 262 HG3 LYS 34 1HG LYS 34 10.516 -7.667 -4.574 263 HD2 LYS 34 2HD LYS 34 12.412 -8.851 -3.650 264 HD3 LYS 34 1HD LYS 34 11.408 -8.226 -2.341 265 HE2 LYS 34 2HE LYS 34 10.386 -10.438 -2.080 266 HE3 LYS 34 1HE LYS 34 11.403 -11.060 -3.379 267 HZ1 LYS 34 3HZ LYS 34 13.353 -10.607 -2.043 268 HZ2 LYS 34 1HZ LYS 34 12.277 -11.590 -1.179 269 HZ3 LYS 34 2HZ LYS 34 12.400 -9.938 -0.813 270 H SER 35 H SER 35 10.299 -5.684 -3.209 271 HA SER 35 HA SER 35 8.549 -3.519 -3.058 272 HB2 SER 35 2HB SER 35 11.038 -3.751 -4.758 273 HB3 SER 35 1HB SER 35 10.269 -2.251 -4.232 274 HG SER 35 HG SER 35 10.616 -3.505 -2.034 275 H MET 36 H MET 36 6.725 -3.396 -4.147 276 HA MET 36 HA MET 36 6.764 -3.938 -7.047 277 HB2 MET 36 2HB MET 36 4.444 -4.427 -6.937 278 HB3 MET 36 1HB MET 36 5.146 -5.231 -5.539 279 HG2 MET 36 2HG MET 36 3.643 -4.210 -4.297 280 HG3 MET 36 1HG MET 36 4.485 -2.701 -4.632 281 HE1 MET 36 3HE MET 36 1.175 -4.380 -4.635 282 HE2 MET 36 1HE MET 36 1.877 -5.210 -6.033 283 HE3 MET 36 2HE MET 36 0.496 -4.131 -6.248 284 H ASN 37 H ASN 37 5.076 -2.506 -8.226 285 HA ASN 37 HA ASN 37 5.305 0.244 -7.216 286 HB2 ASN 37 2HB ASN 37 5.980 -0.715 -10.006 287 HB3 ASN 37 1HB ASN 37 5.897 0.975 -9.520 288 HD21 ASN 37 1HD2 ASN 37 7.622 -2.028 -9.167 289 HD22 ASN 37 2HD2 ASN 37 9.078 -1.352 -8.522 290 H MET 38 H MET 38 3.506 1.449 -7.447 291 HA MET 38 HA MET 38 1.696 0.897 -9.640 292 HB2 MET 38 2HB MET 38 0.522 -0.392 -8.073 293 HB3 MET 38 1HB MET 38 0.827 0.750 -6.764 294 HG2 MET 38 2HG MET 38 -0.730 2.280 -7.572 295 HG3 MET 38 1HG MET 38 -0.750 1.554 -9.170 296 HE1 MET 38 3HE MET 38 -1.711 -1.104 -9.442 297 HE2 MET 38 1HE MET 38 -2.602 -1.891 -8.139 298 HE3 MET 38 2HE MET 38 -0.875 -1.573 -7.960 299 HA PRO 39 HA PRO 39 1.718 5.358 -9.454 300 HB2 PRO 39 2HB PRO 39 0.402 5.297 -12.012 301 HB3 PRO 39 1HB PRO 39 2.079 5.714 -11.659 302 HG2 PRO 39 2HG PRO 39 1.308 3.471 -13.050 303 HG3 PRO 39 1HG PRO 39 2.835 3.623 -12.166 304 HD2 PRO 39 2HD PRO 39 0.296 2.275 -11.347 305 HD3 PRO 39 1HD PRO 39 1.980 1.762 -11.099 306 H GLU 40 H GLU 40 -0.101 6.971 -10.230 307 HA GLU 40 HA GLU 40 -2.374 6.447 -8.606 308 HB2 GLU 40 2HB GLU 40 -3.177 8.644 -9.450 309 HB3 GLU 40 1HB GLU 40 -1.522 8.713 -8.855 310 HG2 GLU 40 2HG GLU 40 -0.637 8.765 -11.051 311 HG3 GLU 40 1HG GLU 40 -2.197 8.365 -11.762 312 H GLY 41 H GLY 41 -4.514 6.145 -9.165 313 HA2 GLY 41 2HA GLY 41 -6.371 5.883 -10.508 314 HA3 GLY 41 1HA GLY 41 -5.383 6.253 -11.905 315 H LYS 42 H LYS 42 -4.224 3.749 -9.868 316 HA LYS 42 HA LYS 42 -4.950 1.763 -11.879 317 HB2 LYS 42 2HB LYS 42 -3.125 1.633 -9.478 318 HB3 LYS 42 1HB LYS 42 -3.471 0.257 -10.515 319 HG2 LYS 42 2HG LYS 42 -2.233 2.826 -11.479 320 HG3 LYS 42 1HG LYS 42 -1.319 1.396 -10.993 321 HD2 LYS 42 2HD LYS 42 -2.636 0.112 -12.718 322 HD3 LYS 42 1HD LYS 42 -3.247 1.666 -13.291 323 HE2 LYS 42 2HE LYS 42 -0.930 2.407 -13.670 324 HE3 LYS 42 1HE LYS 42 -0.354 0.825 -13.151 325 HZ1 LYS 42 3HZ LYS 42 -1.650 -0.151 -15.004 326 HZ2 LYS 42 1HZ LYS 42 -0.408 0.890 -15.518 327 HZ3 LYS 42 2HZ LYS 42 -2.015 1.421 -15.536 328 H VAL 43 H VAL 43 -5.935 -0.243 -11.284 329 HA VAL 43 HA VAL 43 -7.957 0.204 -9.200 330 HB VAL 43 HB VAL 43 -8.016 -1.680 -11.568 331 HG11 VAL 43 1HG1 VAL 43 -9.324 -2.567 -9.736 332 HG12 VAL 43 2HG1 VAL 43 -10.403 -1.961 -10.993 333 HG13 VAL 43 3HG1 VAL 43 -10.139 -1.014 -9.528 334 HG21 VAL 43 3HG2 VAL 43 -8.151 0.661 -12.243 335 HG22 VAL 43 1HG2 VAL 43 -9.474 0.921 -11.108 336 HG23 VAL 43 2HG2 VAL 43 -9.696 -0.157 -12.486 337 H MET 44 H MET 44 -7.580 -0.808 -7.337 338 HA MET 44 HA MET 44 -6.488 -3.536 -7.428 339 HB2 MET 44 2HB MET 44 -6.925 -1.656 -5.098 340 HB3 MET 44 1HB MET 44 -6.387 -3.319 -4.932 341 HG2 MET 44 2HG MET 44 -4.297 -2.709 -5.252 342 HG3 MET 44 1HG MET 44 -4.714 -1.989 -6.806 343 HE1 MET 44 3HE MET 44 -6.005 -0.991 -3.210 344 HE2 MET 44 1HE MET 44 -4.892 0.316 -2.805 345 HE3 MET 44 2HE MET 44 -4.299 -1.340 -2.928 346 H GLU 45 H GLU 45 -7.726 -5.260 -6.838 347 HA GLU 45 HA GLU 45 -10.322 -4.701 -5.607 348 HB2 GLU 45 2HB GLU 45 -10.626 -5.053 -8.064 349 HB3 GLU 45 1HB GLU 45 -9.956 -6.670 -7.868 350 HG2 GLU 45 2HG GLU 45 -11.779 -7.307 -6.442 351 HG3 GLU 45 1HG GLU 45 -12.412 -5.660 -6.461 352 H THR 46 H THR 46 -10.384 -5.753 -3.749 353 HA THR 46 HA THR 46 -8.417 -7.680 -3.050 354 HB THR 46 HB THR 46 -9.411 -7.749 -0.890 355 HG1 THR 46 1HG THR 46 -11.504 -7.556 -0.564 356 HG21 THR 46 3HG2 THR 46 -9.731 -5.385 -0.329 357 HG22 THR 46 1HG2 THR 46 -9.905 -5.001 -2.041 358 HG23 THR 46 2HG2 THR 46 -8.366 -5.604 -1.425 359 H ARG 47 H ARG 47 -9.161 -9.817 -1.958 360 HA ARG 47 HA ARG 47 -10.408 -11.426 -3.933 361 HB2 ARG 47 2HB ARG 47 -9.781 -12.027 -1.038 362 HB3 ARG 47 1HB ARG 47 -10.271 -13.223 -2.230 363 HG2 ARG 47 2HG ARG 47 -8.262 -12.760 -3.532 364 HG3 ARG 47 1HG ARG 47 -7.777 -11.540 -2.353 365 HD2 ARG 47 2HD ARG 47 -8.096 -14.499 -1.870 366 HD3 ARG 47 1HD ARG 47 -6.586 -13.590 -1.911 367 HE ARG 47 HE ARG 47 -8.159 -12.405 0.034 368 HH11 ARG 47 1HH1 ARG 47 -6.646 -15.521 -0.521 369 HH12 ARG 47 2HH1 ARG 47 -6.534 -15.901 1.176 370 HH21 ARG 47 1HH2 ARG 47 -8.020 -12.905 2.237 371 HH22 ARG 47 2HH2 ARG 47 -7.327 -14.415 2.744 372 H ASP 48 H ASP 48 -11.691 -9.374 -1.627 373 HA ASP 48 HA ASP 48 -14.144 -10.849 -1.150 374 HB2 ASP 48 2HB ASP 48 -13.643 -7.949 -0.484 375 HB3 ASP 48 1HB ASP 48 -14.774 -9.057 0.282 376 H GLY 49 H GLY 49 -12.901 -8.989 -3.612 377 HA2 GLY 49 2HA GLY 49 -13.952 -8.143 -5.509 378 HA3 GLY 49 1HA GLY 49 -15.512 -8.426 -4.739 379 H THR 50 H THR 50 -12.901 -6.711 -3.194 380 HA THR 50 HA THR 50 -14.561 -4.296 -3.107 381 HB THR 50 HB THR 50 -12.082 -4.927 -1.495 382 HG1 THR 50 1HG THR 50 -13.318 -6.176 -0.328 383 HG21 THR 50 3HG2 THR 50 -14.297 -2.906 -1.095 384 HG22 THR 50 1HG2 THR 50 -12.646 -2.554 -1.603 385 HG23 THR 50 2HG2 THR 50 -12.954 -3.185 0.015 386 H LYS 51 H LYS 51 -14.089 -2.736 -4.508 387 HA LYS 51 HA LYS 51 -11.486 -2.743 -5.811 388 HB2 LYS 51 2HB LYS 51 -14.117 -2.107 -6.632 389 HB3 LYS 51 1HB LYS 51 -13.169 -0.629 -6.739 390 HG2 LYS 51 2HG LYS 51 -11.524 -1.770 -8.128 391 HG3 LYS 51 1HG LYS 51 -12.456 -3.265 -8.010 392 HD2 LYS 51 2HD LYS 51 -13.494 -0.675 -9.149 393 HD3 LYS 51 1HD LYS 51 -12.849 -2.006 -10.114 394 HE2 LYS 51 2HE LYS 51 -15.055 -2.487 -8.159 395 HE3 LYS 51 1HE LYS 51 -15.413 -1.807 -9.747 396 HZ1 LYS 51 3HZ LYS 51 -14.033 -4.392 -9.230 397 HZ2 LYS 51 1HZ LYS 51 -14.363 -3.739 -10.761 398 HZ3 LYS 51 2HZ LYS 51 -15.638 -4.202 -9.750 399 H ILE 52 H ILE 52 -9.928 -1.391 -5.401 400 HA ILE 52 HA ILE 52 -10.481 1.089 -3.913 401 HB ILE 52 HB ILE 52 -8.153 -0.792 -3.442 402 HG12 ILE 52 2HG1 ILE 52 -10.482 -0.110 -1.630 403 HG13 ILE 52 1HG1 ILE 52 -10.315 -1.611 -2.536 404 HG21 ILE 52 1HG2 ILE 52 -7.630 0.724 -1.553 405 HG22 ILE 52 2HG2 ILE 52 -8.894 1.817 -2.129 406 HG23 ILE 52 3HG2 ILE 52 -7.480 1.500 -3.135 407 HD11 ILE 52 3HD1 ILE 52 -9.691 -1.894 -0.206 408 HD12 ILE 52 1HD1 ILE 52 -8.461 -0.643 -0.375 409 HD13 ILE 52 2HD1 ILE 52 -8.306 -2.156 -1.267 410 H ILE 53 H ILE 53 -9.369 2.863 -4.669 411 HA ILE 53 HA ILE 53 -7.726 2.391 -7.076 412 HB ILE 53 HB ILE 53 -9.545 4.708 -6.430 413 HG12 ILE 53 2HG1 ILE 53 -10.844 2.921 -7.266 414 HG13 ILE 53 1HG1 ILE 53 -10.563 3.980 -8.643 415 HG21 ILE 53 1HG2 ILE 53 -7.521 5.553 -7.472 416 HG22 ILE 53 2HG2 ILE 53 -8.885 5.665 -8.586 417 HG23 ILE 53 3HG2 ILE 53 -7.687 4.384 -8.788 418 HD11 ILE 53 3HD1 ILE 53 -9.030 1.470 -8.046 419 HD12 ILE 53 1HD1 ILE 53 -8.829 2.508 -9.457 420 HD13 ILE 53 2HD1 ILE 53 -10.336 1.621 -9.226 421 H MET 54 H MET 54 -5.716 2.782 -6.843 422 HA MET 54 HA MET 54 -4.485 4.194 -4.750 423 HB2 MET 54 2HB MET 54 -3.593 2.617 -6.773 424 HB3 MET 54 1HB MET 54 -3.139 4.190 -7.388 425 HG2 MET 54 2HG MET 54 -1.249 3.447 -6.237 426 HG3 MET 54 1HG MET 54 -2.029 4.566 -5.115 427 HE1 MET 54 3HE MET 54 -0.606 1.790 -2.693 428 HE2 MET 54 1HE MET 54 -0.603 3.507 -3.098 429 HE3 MET 54 2HE MET 54 0.164 2.345 -4.183 430 H LYS 55 H LYS 55 -5.182 6.225 -4.398 431 HA LYS 55 HA LYS 55 -5.310 8.087 -6.674 432 HB2 LYS 55 2HB LYS 55 -7.423 7.387 -5.391 433 HB3 LYS 55 1HB LYS 55 -6.790 8.338 -4.059 434 HG2 LYS 55 2HG LYS 55 -6.995 10.348 -5.278 435 HG3 LYS 55 1HG LYS 55 -7.288 9.482 -6.791 436 HD2 LYS 55 2HD LYS 55 -9.411 8.714 -6.029 437 HD3 LYS 55 1HD LYS 55 -9.092 9.275 -4.389 438 HE2 LYS 55 2HE LYS 55 -9.296 11.098 -6.776 439 HE3 LYS 55 1HE LYS 55 -10.648 10.713 -5.715 440 HZ1 LYS 55 3HZ LYS 55 -8.124 12.079 -4.952 441 HZ2 LYS 55 1HZ LYS 55 -9.316 11.584 -3.848 442 HZ3 LYS 55 2HZ LYS 55 -9.679 12.762 -5.015 443 H GLY 56 H GLY 56 -5.341 10.501 -5.420 444 HA2 GLY 56 2HA GLY 56 -2.584 10.826 -4.743 445 HA3 GLY 56 1HA GLY 56 -3.806 12.088 -4.763 446 H ASN 57 H ASN 57 -4.639 9.426 -2.860 447 HA ASN 57 HA ASN 57 -3.835 10.837 -0.406 448 HB2 ASN 57 2HB ASN 57 -5.744 9.419 0.612 449 HB3 ASN 57 1HB ASN 57 -6.186 10.795 -0.394 450 HD21 ASN 57 1HD2 ASN 57 -5.964 7.303 -0.259 451 HD22 ASN 57 2HD2 ASN 57 -6.992 6.988 -1.619 452 H GLU 58 H GLU 58 -3.213 8.140 -2.291 453 HA GLU 58 HA GLU 58 -2.082 6.681 -0.006 454 HB2 GLU 58 2HB GLU 58 -2.879 4.557 -1.234 455 HB3 GLU 58 1HB GLU 58 -4.063 5.479 -0.309 456 HG2 GLU 58 2HG GLU 58 -4.720 6.603 -2.406 457 HG3 GLU 58 1HG GLU 58 -3.638 5.522 -3.281 458 H ILE 59 H ILE 59 -1.271 8.243 -2.624 459 HA ILE 59 HA ILE 59 0.193 6.284 -4.120 460 HB ILE 59 HB ILE 59 -0.838 8.347 -5.105 461 HG12 ILE 59 2HG1 ILE 59 2.134 8.064 -5.563 462 HG13 ILE 59 1HG1 ILE 59 0.902 7.015 -6.248 463 HG21 ILE 59 1HG2 ILE 59 0.364 10.461 -4.950 464 HG22 ILE 59 2HG2 ILE 59 1.492 9.745 -3.799 465 HG23 ILE 59 3HG2 ILE 59 -0.206 9.935 -3.365 466 HD11 ILE 59 3HD1 ILE 59 -0.053 8.934 -7.434 467 HD12 ILE 59 1HD1 ILE 59 1.629 8.642 -7.873 468 HD13 ILE 59 2HD1 ILE 59 1.221 9.956 -6.771 469 H PHE 60 H PHE 60 0.738 7.823 -1.222 470 HA PHE 60 HA PHE 60 3.493 8.384 -1.279 471 HB2 PHE 60 2HB PHE 60 2.078 9.184 0.518 472 HB3 PHE 60 1HB PHE 60 1.716 7.536 1.015 473 HD1 PHE 60 1HD PHE 60 4.459 10.015 0.734 474 HD2 PHE 60 2HD PHE 60 3.073 6.423 2.553 475 HE1 PHE 60 1HE PHE 60 6.361 10.072 2.292 476 HE2 PHE 60 2HE PHE 60 4.973 6.474 4.114 477 HZ PHE 60 HZ PHE 60 6.621 8.302 3.984 478 H ARG 61 H ARG 61 1.723 5.391 -0.783 479 HA ARG 61 HA ARG 61 2.363 3.211 -0.919 480 HB2 ARG 61 2HB ARG 61 5.055 4.294 -1.748 481 HB3 ARG 61 1HB ARG 61 4.484 2.645 -1.960 482 HG2 ARG 61 2HG ARG 61 2.974 3.257 -3.629 483 HG3 ARG 61 1HG ARG 61 3.053 4.972 -3.186 484 HD2 ARG 61 2HD ARG 61 5.307 5.129 -3.989 485 HD3 ARG 61 1HD ARG 61 5.401 3.390 -4.226 486 HE ARG 61 HE ARG 61 3.575 5.056 -5.821 487 HH11 ARG 61 1HH1 ARG 61 6.136 2.678 -5.526 488 HH12 ARG 61 2HH1 ARG 61 6.242 2.399 -7.242 489 HH21 ARG 61 1HH2 ARG 61 3.745 4.733 -8.080 490 HH22 ARG 61 2HH2 ARG 61 4.851 3.542 -8.709 491 H LEU 62 H LEU 62 5.319 2.489 -0.400 492 HA LEU 62 HA LEU 62 5.039 2.562 2.529 493 HB2 LEU 62 2HB LEU 62 6.830 0.617 1.167 494 HB3 LEU 62 1HB LEU 62 6.020 0.487 2.710 495 HG LEU 62 HG LEU 62 3.871 0.438 1.139 496 HD11 LEU 62 1HD1 LEU 62 5.168 0.706 -0.911 497 HD12 LEU 62 2HD1 LEU 62 4.322 -0.845 -0.870 498 HD13 LEU 62 3HD1 LEU 62 6.055 -0.775 -0.541 499 HD21 LEU 62 3HD2 LEU 62 3.969 -2.001 1.300 500 HD22 LEU 62 1HD2 LEU 62 4.471 -1.222 2.801 501 HD23 LEU 62 2HD2 LEU 62 5.682 -1.901 1.713 502 H ASP 63 H ASP 63 7.579 2.263 0.064 503 HA ASP 63 HA ASP 63 9.306 4.096 1.415 504 HB2 ASP 63 2HB ASP 63 9.534 2.303 3.002 505 HB3 ASP 63 1HB ASP 63 9.808 1.136 1.713 506 H GLU 64 H GLU 64 8.907 1.544 -0.941 507 HA GLU 64 HA GLU 64 11.341 1.584 -2.233 508 HB2 GLU 64 2HB GLU 64 9.632 1.144 -4.315 509 HB3 GLU 64 1HB GLU 64 10.189 -0.079 -3.187 510 HG2 GLU 64 2HG GLU 64 7.771 -0.173 -3.548 511 HG3 GLU 64 1HG GLU 64 8.177 0.162 -1.866 512 H ALA 65 H ALA 65 8.547 3.692 -2.864 513 HA ALA 65 HA ALA 65 9.725 5.009 -5.089 514 HB1 ALA 65 1HB ALA 65 7.535 6.024 -3.286 515 HB2 ALA 65 2HB ALA 65 7.294 4.939 -4.658 516 HB3 ALA 65 3HB ALA 65 7.900 6.574 -4.922 517 H LEU 66 H LEU 66 9.953 5.483 -1.662 518 HA LEU 66 HA LEU 66 10.863 8.209 -1.863 519 HB2 LEU 66 2HB LEU 66 10.669 6.292 0.451 520 HB3 LEU 66 1HB LEU 66 11.294 7.914 0.597 521 HG LEU 66 HG LEU 66 9.035 8.693 -0.323 522 HD11 LEU 66 1HD1 LEU 66 7.155 7.177 0.137 523 HD12 LEU 66 2HD1 LEU 66 8.303 5.882 0.487 524 HD13 LEU 66 3HD1 LEU 66 8.213 6.568 -1.137 525 HD21 LEU 66 3HD2 LEU 66 8.022 8.603 1.908 526 HD22 LEU 66 1HD2 LEU 66 9.731 9.040 1.971 527 HD23 LEU 66 2HD2 LEU 66 9.221 7.405 2.395 528 H ARG 67 H ARG 67 12.235 5.123 -2.072 529 HA ARG 67 HA ARG 67 14.871 5.805 -1.150 530 HB2 ARG 67 2HB ARG 67 13.989 3.490 -2.880 531 HB3 ARG 67 1HB ARG 67 15.519 3.630 -2.026 532 HG2 ARG 67 2HG ARG 67 14.444 3.467 0.089 533 HG3 ARG 67 1HG ARG 67 12.848 3.584 -0.651 534 HD2 ARG 67 2HD ARG 67 13.246 1.292 -0.106 535 HD3 ARG 67 1HD ARG 67 13.330 1.460 -1.860 536 HE ARG 67 HE ARG 67 15.702 1.218 -1.732 537 HH11 ARG 67 1HH1 ARG 67 14.024 0.746 1.306 538 HH12 ARG 67 2HH1 ARG 67 15.299 -0.200 2.010 539 HH21 ARG 67 1HH2 ARG 67 17.383 -0.026 -0.820 540 HH22 ARG 67 2HH2 ARG 67 17.232 -0.619 0.806 541 H LYS 68 H LYS 68 15.482 7.605 -2.294 542 HA LYS 68 HA LYS 68 16.562 8.749 -3.911 543 HB2 LYS 68 2HB LYS 68 16.614 6.074 -5.298 544 HB3 LYS 68 1HB LYS 68 17.368 7.518 -5.958 545 HG2 LYS 68 2HG LYS 68 18.040 6.220 -3.327 546 HG3 LYS 68 1HG LYS 68 19.002 6.150 -4.807 547 HD2 LYS 68 2HD LYS 68 19.324 8.551 -4.740 548 HD3 LYS 68 1HD LYS 68 18.299 8.674 -3.311 549 HE2 LYS 68 2HE LYS 68 19.889 7.327 -2.048 550 HE3 LYS 68 1HE LYS 68 20.907 7.169 -3.480 551 HZ1 LYS 68 3HZ LYS 68 21.243 9.556 -3.471 552 HZ2 LYS 68 1HZ LYS 68 21.709 8.895 -1.981 553 HZ3 LYS 68 2HZ LYS 68 20.238 9.726 -2.120 554 H GLY 69 H GLY 69 14.144 6.586 -5.400 555 HA2 GLY 69 2HA GLY 69 12.132 8.162 -5.962 556 HA3 GLY 69 1HA GLY 69 13.301 8.812 -7.101 557 H HIS 70 H HIS 70 13.020 8.111 -9.056 558 HA HIS 70 HA HIS 70 12.547 6.854 -10.864 559 HB2 HIS 70 2HB HIS 70 14.080 5.169 -9.904 560 HB3 HIS 70 1HB HIS 70 12.727 4.459 -9.024 561 HD1 HIS 70 1HD HIS 70 11.435 2.688 -10.214 562 HD2 HIS 70 2HD HIS 70 13.736 4.983 -12.813 563 HE1 HIS 70 1HE HIS 70 11.213 1.593 -12.470 564 HE2 HIS 70 2HE HIS 70 12.408 3.142 -14.057 565 H SER 71 H SER 71 10.573 7.485 -11.391 566 HA SER 71 HA SER 71 8.284 6.220 -10.058 567 HB2 SER 71 2HB SER 71 8.382 8.669 -11.841 568 HB3 SER 71 1HB SER 71 6.947 8.043 -11.024 569 HG SER 71 HG SER 71 8.870 8.309 -9.216 570 H GLU 72 H GLU 72 6.386 6.513 -12.057 571 HA GLU 72 HA GLU 72 7.391 4.630 -14.083 572 HB2 GLU 72 2HB GLU 72 4.721 4.575 -12.673 573 HB3 GLU 72 1HB GLU 72 5.241 3.464 -13.933 574 HG2 GLU 72 2HG GLU 72 6.876 2.493 -12.548 575 HG3 GLU 72 1HG GLU 72 6.733 3.782 -11.353 576 H GLY 73 H GLY 73 6.886 5.054 -16.144 577 HA2 GLY 73 2HA GLY 73 4.602 6.795 -16.732 578 HA3 GLY 73 1HA GLY 73 6.186 7.298 -17.306 579 H GLY 74 H GLY 74 4.525 4.156 -17.171 580 HA2 GLY 74 2HA GLY 74 4.449 4.001 -20.062 581 HA3 GLY 74 1HA GLY 74 5.562 2.883 -19.284 Start of MODEL 20 1 H1 VAL 1 1HT VAL 1 9.431 -2.176 5.760 2 H2 VAL 1 2HT VAL 1 8.952 -3.783 5.996 3 H3 VAL 1 3HT VAL 1 9.848 -2.988 7.193 4 HA VAL 1 HA VAL 1 7.996 -1.405 7.471 5 HB VAL 1 HB VAL 1 6.450 -3.422 5.828 6 HG11 VAL 1 2HG1 VAL 1 4.618 -1.796 6.017 7 HG12 VAL 1 3HG1 VAL 1 5.632 -0.786 7.046 8 HG13 VAL 1 1HG1 VAL 1 5.137 -2.385 7.598 9 HG21 VAL 1 1HG2 VAL 1 7.900 -2.120 4.370 10 HG22 VAL 1 2HG2 VAL 1 7.304 -0.625 5.093 11 HG23 VAL 1 3HG2 VAL 1 6.214 -1.646 4.153 12 H ASP 2 H ASP 2 7.791 -1.822 9.554 13 HA ASP 2 HA ASP 2 7.801 -4.575 10.481 14 HB2 ASP 2 2HB ASP 2 7.977 -1.973 12.013 15 HB3 ASP 2 1HB ASP 2 8.184 -3.579 12.706 16 H MET 3 H MET 3 5.402 -3.024 9.348 17 HA MET 3 HA MET 3 3.151 -3.011 9.580 18 HB2 MET 3 2HB MET 3 3.759 -5.267 11.493 19 HB3 MET 3 1HB MET 3 2.178 -4.916 10.808 20 HG2 MET 3 2HG MET 3 4.505 -5.397 9.009 21 HG3 MET 3 1HG MET 3 3.689 -6.750 9.765 22 HE1 MET 3 3HE MET 3 3.646 -4.040 7.057 23 HE2 MET 3 1HE MET 3 2.425 -3.311 8.101 24 HE3 MET 3 2HE MET 3 1.966 -3.968 6.529 25 H SER 4 H SER 4 4.798 -1.381 11.472 26 HA SER 4 HA SER 4 3.426 -1.393 13.974 27 HB2 SER 4 2HB SER 4 4.706 0.790 14.284 28 HB3 SER 4 1HB SER 4 5.682 -0.654 13.999 29 HG SER 4 HG SER 4 5.898 1.515 12.690 30 H ASN 5 H ASN 5 3.244 0.584 11.039 31 HA ASN 5 HA ASN 5 1.221 2.266 12.323 32 HB2 ASN 5 2HB ASN 5 2.968 2.619 9.920 33 HB3 ASN 5 1HB ASN 5 1.483 3.558 10.062 34 HD21 ASN 5 1HD2 ASN 5 4.205 4.516 10.069 35 HD22 ASN 5 2HD2 ASN 5 4.425 5.356 11.573 36 H VAL 6 H VAL 6 1.131 -0.505 10.597 37 HA VAL 6 HA VAL 6 -1.004 0.246 8.793 38 HB VAL 6 HB VAL 6 0.601 -1.449 8.056 39 HG11 VAL 6 1HG1 VAL 6 1.135 -2.447 10.186 40 HG12 VAL 6 2HG1 VAL 6 0.614 -3.679 9.036 41 HG13 VAL 6 3HG1 VAL 6 -0.489 -3.129 10.299 42 HG21 VAL 6 3HG2 VAL 6 -2.170 -2.577 8.434 43 HG22 VAL 6 1HG2 VAL 6 -0.978 -3.132 7.258 44 HG23 VAL 6 2HG2 VAL 6 -1.652 -1.508 7.131 45 H VAL 7 H VAL 7 -3.137 -0.062 9.094 46 HA VAL 7 HA VAL 7 -3.955 -1.082 11.730 47 HB VAL 7 HB VAL 7 -4.531 1.265 11.359 48 HG11 VAL 7 1HG1 VAL 7 -6.154 1.932 9.656 49 HG12 VAL 7 2HG1 VAL 7 -6.147 0.292 9.009 50 HG13 VAL 7 3HG1 VAL 7 -4.683 1.275 8.936 51 HG21 VAL 7 3HG2 VAL 7 -6.937 1.148 11.834 52 HG22 VAL 7 1HG2 VAL 7 -6.016 -0.040 12.756 53 HG23 VAL 7 2HG2 VAL 7 -6.942 -0.546 11.343 54 H LYS 8 H LYS 8 -4.493 -1.345 8.282 55 HA LYS 8 HA LYS 8 -5.771 -3.912 8.685 56 HB2 LYS 8 2HB LYS 8 -7.629 -2.223 8.708 57 HB3 LYS 8 1HB LYS 8 -7.165 -1.755 7.080 58 HG2 LYS 8 2HG LYS 8 -7.897 -3.745 6.154 59 HG3 LYS 8 1HG LYS 8 -7.860 -4.591 7.704 60 HD2 LYS 8 2HD LYS 8 -10.156 -4.050 6.908 61 HD3 LYS 8 1HD LYS 8 -9.771 -3.375 8.490 62 HE2 LYS 8 2HE LYS 8 -9.227 -1.219 7.364 63 HE3 LYS 8 1HE LYS 8 -9.797 -1.918 5.847 64 HZ1 LYS 8 3HZ LYS 8 -11.496 -0.578 6.965 65 HZ2 LYS 8 1HZ LYS 8 -11.433 -1.610 8.308 66 HZ3 LYS 8 2HZ LYS 8 -11.975 -2.200 6.814 67 H THR 9 H THR 9 -5.621 -5.251 6.851 68 HA THR 9 HA THR 9 -4.096 -4.136 4.600 69 HB THR 9 HB THR 9 -3.464 -6.717 6.048 70 HG1 THR 9 1HG THR 9 -2.744 -4.316 6.645 71 HG21 THR 9 3HG2 THR 9 -3.120 -6.909 3.621 72 HG22 THR 9 1HG2 THR 9 -1.589 -6.916 4.499 73 HG23 THR 9 2HG2 THR 9 -2.115 -5.459 3.658 74 H TYR 10 H TYR 10 -4.917 -4.664 2.674 75 HA TYR 10 HA TYR 10 -6.926 -6.813 2.580 76 HB2 TYR 10 2HB TYR 10 -6.456 -4.783 0.406 77 HB3 TYR 10 1HB TYR 10 -7.875 -5.785 0.672 78 HD1 TYR 10 2HD TYR 10 -8.942 -5.331 3.156 79 HD2 TYR 10 1HD TYR 10 -6.713 -2.576 0.814 80 HE1 TYR 10 2HE TYR 10 -9.989 -3.456 4.374 81 HE2 TYR 10 1HE TYR 10 -7.752 -0.698 1.998 82 HH TYR 10 HH TYR 10 -9.592 -0.141 3.320 83 H ASP 11 H ASP 11 -6.608 -8.562 1.318 84 HA ASP 11 HA ASP 11 -4.077 -8.797 -0.098 85 HB2 ASP 11 2HB ASP 11 -6.317 -10.748 0.455 86 HB3 ASP 11 1HB ASP 11 -4.963 -11.138 -0.599 87 H LEU 12 H LEU 12 -3.896 -8.292 -2.192 88 HA LEU 12 HA LEU 12 -6.248 -7.689 -3.738 89 HB2 LEU 12 2HB LEU 12 -3.295 -7.617 -4.290 90 HB3 LEU 12 1HB LEU 12 -4.444 -7.480 -5.603 91 HG LEU 12 HG LEU 12 -3.833 -5.279 -5.077 92 HD11 LEU 12 1HD1 LEU 12 -5.876 -4.247 -4.229 93 HD12 LEU 12 2HD1 LEU 12 -6.430 -5.822 -3.658 94 HD13 LEU 12 3HD1 LEU 12 -6.220 -5.534 -5.385 95 HD21 LEU 12 3HD2 LEU 12 -4.345 -5.842 -2.165 96 HD22 LEU 12 1HD2 LEU 12 -3.818 -4.306 -2.863 97 HD23 LEU 12 2HD2 LEU 12 -2.757 -5.718 -2.922 98 H GLN 13 H GLN 13 -7.190 -8.947 -5.282 99 HA GLN 13 HA GLN 13 -6.707 -11.737 -5.271 100 HB2 GLN 13 2HB GLN 13 -8.403 -9.905 -6.923 101 HB3 GLN 13 1HB GLN 13 -8.186 -11.574 -7.437 102 HG2 GLN 13 2HG GLN 13 -9.053 -12.358 -5.306 103 HG3 GLN 13 1HG GLN 13 -9.224 -10.695 -4.750 104 HE21 GLN 13 1HE2 GLN 13 -10.917 -9.464 -5.481 105 HE22 GLN 13 2HE2 GLN 13 -12.243 -10.122 -6.383 106 H ASP 14 H ASP 14 -5.209 -9.197 -6.872 107 HA ASP 14 HA ASP 14 -4.205 -10.551 -9.151 108 HB2 ASP 14 2HB ASP 14 -4.159 -8.241 -9.339 109 HB3 ASP 14 1HB ASP 14 -3.579 -8.014 -7.696 110 H GLY 15 H GLY 15 -3.260 -10.396 -5.815 111 HA2 GLY 15 2HA GLY 15 -1.764 -12.250 -5.104 112 HA3 GLY 15 1HA GLY 15 -0.765 -11.826 -6.488 113 H SER 16 H SER 16 -1.269 -8.943 -6.023 114 HA SER 16 HA SER 16 0.837 -8.425 -4.178 115 HB2 SER 16 2HB SER 16 -1.140 -6.452 -5.339 116 HB3 SER 16 1HB SER 16 0.451 -6.101 -4.661 117 HG SER 16 HG SER 16 -0.195 -7.417 -7.088 118 H LYS 17 H LYS 17 0.356 -6.583 -2.456 119 HA LYS 17 HA LYS 17 -2.135 -7.162 -1.040 120 HB2 LYS 17 2HB LYS 17 -0.065 -8.694 -0.417 121 HB3 LYS 17 1HB LYS 17 0.418 -7.282 0.509 122 HG2 LYS 17 2HG LYS 17 -1.733 -7.366 1.709 123 HG3 LYS 17 1HG LYS 17 -2.140 -8.836 0.819 124 HD2 LYS 17 2HD LYS 17 0.060 -9.776 1.719 125 HD3 LYS 17 1HD LYS 17 0.043 -8.412 2.836 126 HE2 LYS 17 2HE LYS 17 -2.202 -9.141 3.606 127 HE3 LYS 17 1HE LYS 17 -2.054 -10.564 2.574 128 HZ1 LYS 17 3HZ LYS 17 0.131 -10.922 3.880 129 HZ2 LYS 17 1HZ LYS 17 -1.345 -11.329 4.614 130 HZ3 LYS 17 2HZ LYS 17 -0.572 -9.884 5.024 131 H VAL 18 H VAL 18 -2.915 -5.347 -0.123 132 HA VAL 18 HA VAL 18 -1.124 -3.029 -0.152 133 HB VAL 18 HB VAL 18 -3.065 -2.752 -1.577 134 HG11 VAL 18 1HG1 VAL 18 -4.718 -3.209 0.895 135 HG12 VAL 18 2HG1 VAL 18 -4.633 -4.253 -0.525 136 HG13 VAL 18 3HG1 VAL 18 -5.336 -2.642 -0.656 137 HG21 VAL 18 3HG2 VAL 18 -3.952 -0.670 -0.642 138 HG22 VAL 18 1HG2 VAL 18 -2.201 -0.783 -0.483 139 HG23 VAL 18 2HG2 VAL 18 -3.234 -1.078 0.917 140 H HIS 19 H HIS 19 -0.416 -2.271 1.683 141 HA HIS 19 HA HIS 19 -1.715 -3.187 4.151 142 HB2 HIS 19 2HB HIS 19 0.970 -1.834 4.061 143 HB3 HIS 19 1HB HIS 19 0.342 -2.947 5.265 144 HD1 HIS 19 1HD HIS 19 -0.258 -5.454 3.730 145 HD2 HIS 19 2HD HIS 19 3.026 -3.051 2.891 146 HE1 HIS 19 1HE HIS 19 1.352 -6.944 2.467 147 HE2 HIS 19 2HE HIS 19 3.407 -5.515 2.158 148 H VAL 20 H VAL 20 -3.220 -1.765 4.722 149 HA VAL 20 HA VAL 20 -2.929 1.057 4.059 150 HB VAL 20 HB VAL 20 -5.218 -0.117 5.615 151 HG11 VAL 20 1HG1 VAL 20 -6.489 1.598 4.456 152 HG12 VAL 20 2HG1 VAL 20 -5.048 2.064 3.551 153 HG13 VAL 20 3HG1 VAL 20 -5.108 2.303 5.301 154 HG21 VAL 20 3HG2 VAL 20 -6.329 -0.674 3.498 155 HG22 VAL 20 1HG2 VAL 20 -4.883 -1.648 3.765 156 HG23 VAL 20 2HG2 VAL 20 -4.840 -0.299 2.630 157 H PHE 21 H PHE 21 -2.069 2.444 5.383 158 HA PHE 21 HA PHE 21 -1.594 1.629 8.138 159 HB2 PHE 21 2HB PHE 21 -0.494 4.059 6.723 160 HB3 PHE 21 1HB PHE 21 0.111 3.298 8.186 161 HD1 PHE 21 2HD PHE 21 0.987 0.834 7.946 162 HD2 PHE 21 1HD PHE 21 0.408 3.511 4.678 163 HE1 PHE 21 2HE PHE 21 2.534 -0.492 6.581 164 HE2 PHE 21 1HE PHE 21 1.954 2.181 3.315 165 HZ PHE 21 HZ PHE 21 3.021 0.180 4.265 166 H LYS 22 H LYS 22 -1.674 3.461 9.765 167 HA LYS 22 HA LYS 22 -4.351 4.141 10.141 168 HB2 LYS 22 2HB LYS 22 -1.901 5.342 11.435 169 HB3 LYS 22 1HB LYS 22 -3.543 5.448 12.058 170 HG2 LYS 22 2HG LYS 22 -3.618 3.078 12.424 171 HG3 LYS 22 1HG LYS 22 -2.051 2.866 11.639 172 HD2 LYS 22 2HD LYS 22 -1.017 4.242 13.406 173 HD3 LYS 22 1HD LYS 22 -2.592 4.365 14.199 174 HE2 LYS 22 2HE LYS 22 -2.651 1.928 14.443 175 HE3 LYS 22 1HE LYS 22 -1.074 1.813 13.660 176 HZ1 LYS 22 3HZ LYS 22 -0.163 3.180 15.479 177 HZ2 LYS 22 1HZ LYS 22 -0.801 1.701 16.023 178 HZ3 LYS 22 2HZ LYS 22 -1.672 3.136 16.251 179 H ASP 23 H ASP 23 -1.897 5.798 8.424 180 HA ASP 23 HA ASP 23 -2.736 8.453 8.591 181 HB2 ASP 23 2HB ASP 23 -1.349 6.920 6.399 182 HB3 ASP 23 1HB ASP 23 -1.629 8.653 6.312 183 H GLY 24 H GLY 24 -4.134 5.784 6.885 184 HA2 GLY 24 2HA GLY 24 -6.311 5.882 5.925 185 HA3 GLY 24 1HA GLY 24 -6.097 7.612 5.680 186 H LYS 25 H LYS 25 -3.253 6.553 4.812 187 HA LYS 25 HA LYS 25 -4.026 6.006 2.040 188 HB2 LYS 25 2HB LYS 25 -1.694 6.711 1.482 189 HB3 LYS 25 1HB LYS 25 -2.774 7.981 2.027 190 HG2 LYS 25 2HG LYS 25 -1.748 7.874 4.249 191 HG3 LYS 25 1HG LYS 25 -0.622 6.647 3.648 192 HD2 LYS 25 2HD LYS 25 0.125 8.222 1.920 193 HD3 LYS 25 1HD LYS 25 -0.946 9.446 2.594 194 HE2 LYS 25 2HE LYS 25 1.168 8.106 4.241 195 HE3 LYS 25 1HE LYS 25 1.530 9.515 3.250 196 HZ1 LYS 25 3HZ LYS 25 0.226 9.364 5.793 197 HZ2 LYS 25 1HZ LYS 25 -0.692 10.240 4.661 198 HZ3 LYS 25 2HZ LYS 25 0.900 10.704 5.001 199 H MET 26 H MET 26 -2.482 4.529 0.890 200 HA MET 26 HA MET 26 -2.038 2.285 2.735 201 HB2 MET 26 2HB MET 26 -3.058 2.132 -0.099 202 HB3 MET 26 1HB MET 26 -2.952 0.820 1.069 203 HG2 MET 26 2HG MET 26 -4.595 1.954 2.481 204 HG3 MET 26 1HG MET 26 -4.723 3.238 1.279 205 HE1 MET 26 3HE MET 26 -6.227 1.362 -1.764 206 HE2 MET 26 1HE MET 26 -4.521 1.622 -1.404 207 HE3 MET 26 2HE MET 26 -5.686 2.911 -1.112 208 H GLY 27 H GLY 27 -0.335 0.934 2.355 209 HA2 GLY 27 2HA GLY 27 1.698 2.031 0.544 210 HA3 GLY 27 1HA GLY 27 1.995 0.947 1.892 211 H MET 28 H MET 28 2.600 0.889 -1.055 212 HA MET 28 HA MET 28 1.059 -1.445 -1.875 213 HB2 MET 28 2HB MET 28 2.598 0.650 -3.328 214 HB3 MET 28 1HB MET 28 2.329 -0.915 -4.095 215 HG2 MET 28 2HG MET 28 0.063 0.559 -2.884 216 HG3 MET 28 1HG MET 28 0.695 1.063 -4.449 217 HE1 MET 28 3HE MET 28 -0.329 -2.439 -2.619 218 HE2 MET 28 1HE MET 28 -1.855 -2.599 -3.495 219 HE3 MET 28 2HE MET 28 -1.564 -1.183 -2.474 220 H GLU 29 H GLU 29 1.814 -3.349 -1.843 221 HA GLU 29 HA GLU 29 4.471 -3.970 -2.723 222 HB2 GLU 29 2HB GLU 29 4.103 -3.722 0.060 223 HB3 GLU 29 1HB GLU 29 3.972 -5.439 -0.241 224 HG2 GLU 29 2HG GLU 29 6.293 -3.611 -0.663 225 HG3 GLU 29 1HG GLU 29 6.217 -5.141 0.205 226 H ASN 30 H ASN 30 4.600 -6.498 -2.696 227 HA ASN 30 HA ASN 30 1.890 -7.506 -3.186 228 HB2 ASN 30 2HB ASN 30 2.769 -9.194 -4.515 229 HB3 ASN 30 1HB ASN 30 3.853 -7.865 -4.860 230 HD21 ASN 30 1HD2 ASN 30 5.973 -7.925 -4.080 231 HD22 ASN 30 2HD2 ASN 30 6.678 -9.405 -3.530 232 H LYS 31 H LYS 31 1.748 -9.944 -2.393 233 HA LYS 31 HA LYS 31 1.674 -9.534 0.412 234 HB2 LYS 31 2HB LYS 31 0.534 -11.607 0.567 235 HB3 LYS 31 1HB LYS 31 -0.023 -10.797 -0.887 236 HG2 LYS 31 2HG LYS 31 0.277 -12.811 -1.816 237 HG3 LYS 31 1HG LYS 31 1.971 -12.320 -1.892 238 HD2 LYS 31 2HD LYS 31 2.558 -13.573 -0.048 239 HD3 LYS 31 1HD LYS 31 0.905 -13.628 0.571 240 HE2 LYS 31 2HE LYS 31 1.967 -15.075 -1.857 241 HE3 LYS 31 1HE LYS 31 1.591 -15.803 -0.297 242 HZ1 LYS 31 3HZ LYS 31 -0.723 -15.262 -0.610 243 HZ2 LYS 31 1HZ LYS 31 -0.166 -16.136 -1.952 244 HZ3 LYS 31 2HZ LYS 31 -0.388 -14.461 -2.069 245 H PHE 32 H PHE 32 4.167 -10.678 -1.536 246 HA PHE 32 HA PHE 32 5.378 -12.280 0.578 247 HB2 PHE 32 2HB PHE 32 6.221 -11.635 -2.244 248 HB3 PHE 32 1HB PHE 32 7.253 -12.526 -1.126 249 HD1 PHE 32 2HD PHE 32 6.325 -14.673 -0.130 250 HD2 PHE 32 1HD PHE 32 4.574 -12.710 -3.472 251 HE1 PHE 32 2HE PHE 32 5.152 -16.750 -0.732 252 HE2 PHE 32 1HE PHE 32 3.393 -14.776 -4.076 253 HZ PHE 32 HZ PHE 32 3.675 -16.795 -2.697 254 H GLY 33 H GLY 33 5.499 -9.020 -0.595 255 HA2 GLY 33 2HA GLY 33 6.728 -7.229 0.209 256 HA3 GLY 33 1HA GLY 33 7.552 -8.334 1.312 257 H LYS 34 H LYS 34 7.234 -7.993 -2.190 258 HA LYS 34 HA LYS 34 10.163 -7.947 -2.442 259 HB2 LYS 34 2HB LYS 34 8.909 -10.208 -3.045 260 HB3 LYS 34 1HB LYS 34 8.543 -9.335 -4.519 261 HG2 LYS 34 2HG LYS 34 10.440 -10.397 -5.156 262 HG3 LYS 34 1HG LYS 34 11.133 -8.903 -4.524 263 HD2 LYS 34 2HD LYS 34 10.863 -11.491 -2.988 264 HD3 LYS 34 1HD LYS 34 12.339 -10.927 -3.768 265 HE2 LYS 34 2HE LYS 34 12.367 -8.966 -2.322 266 HE3 LYS 34 1HE LYS 34 10.861 -9.494 -1.567 267 HZ1 LYS 34 3HZ LYS 34 13.400 -11.041 -1.515 268 HZ2 LYS 34 1HZ LYS 34 11.962 -11.415 -0.692 269 HZ3 LYS 34 2HZ LYS 34 12.857 -10.037 -0.259 270 H SER 35 H SER 35 10.830 -6.459 -3.858 271 HA SER 35 HA SER 35 9.521 -4.130 -3.900 272 HB2 SER 35 2HB SER 35 11.430 -5.001 -6.071 273 HB3 SER 35 1HB SER 35 11.075 -3.340 -5.594 274 HG SER 35 HG SER 35 12.205 -3.580 -3.786 275 H MET 36 H MET 36 7.387 -4.103 -4.428 276 HA MET 36 HA MET 36 6.693 -4.615 -7.244 277 HB2 MET 36 2HB MET 36 5.472 -5.837 -5.369 278 HB3 MET 36 1HB MET 36 4.786 -4.285 -4.917 279 HG2 MET 36 2HG MET 36 4.492 -5.259 -7.710 280 HG3 MET 36 1HG MET 36 3.478 -5.943 -6.448 281 HE1 MET 36 3HE MET 36 1.278 -3.037 -5.300 282 HE2 MET 36 1HE MET 36 2.767 -3.579 -4.523 283 HE3 MET 36 2HE MET 36 1.653 -4.760 -5.211 284 H ASN 37 H ASN 37 5.424 -3.072 -8.380 285 HA ASN 37 HA ASN 37 5.556 -0.355 -7.267 286 HB2 ASN 37 2HB ASN 37 6.487 -1.152 -10.038 287 HB3 ASN 37 1HB ASN 37 6.471 0.482 -9.381 288 HD21 ASN 37 1HD2 ASN 37 7.966 -2.662 -9.225 289 HD22 ASN 37 2HD2 ASN 37 9.387 -2.157 -8.377 290 H MET 38 H MET 38 3.603 0.548 -7.381 291 HA MET 38 HA MET 38 2.067 0.235 -9.852 292 HB2 MET 38 2HB MET 38 0.998 -1.303 -8.286 293 HB3 MET 38 1HB MET 38 0.873 -0.026 -7.082 294 HG2 MET 38 2HG MET 38 -0.585 1.240 -8.594 295 HG3 MET 38 1HG MET 38 -0.482 -0.063 -9.767 296 HE1 MET 38 3HE MET 38 -2.205 -2.971 -7.629 297 HE2 MET 38 1HE MET 38 -0.496 -2.535 -7.625 298 HE3 MET 38 2HE MET 38 -1.384 -2.613 -9.149 299 HA PRO 39 HA PRO 39 1.939 4.664 -9.231 300 HB2 PRO 39 2HB PRO 39 0.687 5.257 -11.541 301 HB3 PRO 39 1HB PRO 39 2.394 4.797 -11.490 302 HG2 PRO 39 2HG PRO 39 0.003 3.124 -12.167 303 HG3 PRO 39 1HG PRO 39 1.576 3.207 -12.984 304 HD2 PRO 39 2HD PRO 39 0.925 1.235 -11.231 305 HD3 PRO 39 1HD PRO 39 2.585 1.824 -11.450 306 H GLU 40 H GLU 40 0.181 6.333 -9.343 307 HA GLU 40 HA GLU 40 -2.125 5.395 -7.917 308 HB2 GLU 40 2HB GLU 40 -2.750 7.808 -7.905 309 HB3 GLU 40 1HB GLU 40 -1.133 7.502 -7.291 310 HG2 GLU 40 2HG GLU 40 -0.167 8.233 -9.394 311 HG3 GLU 40 1HG GLU 40 -1.780 8.487 -10.062 312 H GLY 41 H GLY 41 -4.328 5.784 -8.558 313 HA2 GLY 41 2HA GLY 41 -6.040 6.170 -10.125 314 HA3 GLY 41 1HA GLY 41 -4.837 6.213 -11.402 315 H LYS 42 H LYS 42 -3.850 3.631 -9.886 316 HA LYS 42 HA LYS 42 -5.001 1.783 -11.708 317 HB2 LYS 42 2HB LYS 42 -3.168 1.549 -9.347 318 HB3 LYS 42 1HB LYS 42 -3.828 0.104 -10.103 319 HG2 LYS 42 2HG LYS 42 -2.426 2.179 -11.738 320 HG3 LYS 42 1HG LYS 42 -1.519 0.955 -10.844 321 HD2 LYS 42 2HD LYS 42 -2.742 -0.810 -12.004 322 HD3 LYS 42 1HD LYS 42 -3.680 0.404 -12.877 323 HE2 LYS 42 2HE LYS 42 -1.654 1.234 -13.934 324 HE3 LYS 42 1HE LYS 42 -0.688 0.066 -13.032 325 HZ1 LYS 42 3HZ LYS 42 -1.568 -1.707 -14.244 326 HZ2 LYS 42 1HZ LYS 42 -1.305 -0.505 -15.412 327 HZ3 LYS 42 2HZ LYS 42 -2.873 -0.795 -14.832 328 H VAL 43 H VAL 43 -6.373 0.065 -11.348 329 HA VAL 43 HA VAL 43 -8.249 0.393 -9.131 330 HB VAL 43 HB VAL 43 -8.384 -1.445 -11.534 331 HG11 VAL 43 1HG1 VAL 43 -9.655 -2.258 -9.586 332 HG12 VAL 43 2HG1 VAL 43 -10.704 -1.790 -10.924 333 HG13 VAL 43 3HG1 VAL 43 -10.521 -0.724 -9.533 334 HG21 VAL 43 3HG2 VAL 43 -9.738 1.196 -10.996 335 HG22 VAL 43 1HG2 VAL 43 -10.080 0.134 -12.363 336 HG23 VAL 43 2HG2 VAL 43 -8.491 0.882 -12.203 337 H MET 44 H MET 44 -8.104 -0.827 -7.373 338 HA MET 44 HA MET 44 -6.541 -3.326 -7.511 339 HB2 MET 44 2HB MET 44 -6.907 -1.393 -5.227 340 HB3 MET 44 1HB MET 44 -6.061 -2.934 -5.116 341 HG2 MET 44 2HG MET 44 -4.475 -2.169 -6.811 342 HG3 MET 44 1HG MET 44 -5.307 -0.617 -6.875 343 HE1 MET 44 3HE MET 44 -5.291 1.163 -4.948 344 HE2 MET 44 1HE MET 44 -4.601 0.869 -3.351 345 HE3 MET 44 2HE MET 44 -6.025 -0.029 -3.874 346 H GLU 45 H GLU 45 -8.058 -4.894 -7.685 347 HA GLU 45 HA GLU 45 -10.452 -4.751 -6.039 348 HB2 GLU 45 2HB GLU 45 -10.555 -5.490 -8.428 349 HB3 GLU 45 1HB GLU 45 -9.621 -6.906 -7.974 350 HG2 GLU 45 2HG GLU 45 -11.377 -7.682 -6.536 351 HG3 GLU 45 1HG GLU 45 -12.308 -6.210 -6.813 352 H THR 46 H THR 46 -10.245 -5.348 -4.028 353 HA THR 46 HA THR 46 -8.184 -7.069 -3.078 354 HB THR 46 HB THR 46 -9.185 -6.783 -0.888 355 HG1 THR 46 1HG THR 46 -11.217 -5.705 -0.713 356 HG21 THR 46 3HG2 THR 46 -9.234 -4.337 -0.755 357 HG22 THR 46 1HG2 THR 46 -9.391 -4.242 -2.510 358 HG23 THR 46 2HG2 THR 46 -7.918 -4.889 -1.789 359 H ARG 47 H ARG 47 -8.759 -9.015 -1.665 360 HA ARG 47 HA ARG 47 -10.305 -10.874 -3.173 361 HB2 ARG 47 2HB ARG 47 -8.936 -11.027 -0.500 362 HB3 ARG 47 1HB ARG 47 -9.857 -12.374 -1.157 363 HG2 ARG 47 2HG ARG 47 -8.407 -12.480 -3.082 364 HG3 ARG 47 1HG ARG 47 -7.528 -11.052 -2.531 365 HD2 ARG 47 2HD ARG 47 -6.330 -13.131 -2.041 366 HD3 ARG 47 1HD ARG 47 -6.753 -12.245 -0.579 367 HE ARG 47 HE ARG 47 -8.504 -13.862 -0.189 368 HH11 ARG 47 1HH1 ARG 47 -6.202 -14.674 -2.683 369 HH12 ARG 47 2HH1 ARG 47 -6.409 -16.390 -2.517 370 HH21 ARG 47 1HH2 ARG 47 -8.798 -16.130 0.049 371 HH22 ARG 47 2HH2 ARG 47 -7.879 -17.221 -0.951 372 H ASP 48 H ASP 48 -11.341 -8.436 -1.315 373 HA ASP 48 HA ASP 48 -13.691 -9.873 -0.297 374 HB2 ASP 48 2HB ASP 48 -12.931 -6.977 0.165 375 HB3 ASP 48 1HB ASP 48 -14.147 -7.908 1.032 376 H GLY 49 H GLY 49 -12.785 -8.831 -3.105 377 HA2 GLY 49 2HA GLY 49 -13.886 -8.174 -5.014 378 HA3 GLY 49 1HA GLY 49 -15.389 -8.312 -4.115 379 H THR 50 H THR 50 -12.632 -6.279 -3.346 380 HA THR 50 HA THR 50 -14.423 -3.944 -3.520 381 HB THR 50 HB THR 50 -12.022 -4.297 -1.718 382 HG1 THR 50 1HG THR 50 -14.023 -5.691 -1.395 383 HG21 THR 50 3HG2 THR 50 -14.281 -2.279 -1.693 384 HG22 THR 50 1HG2 THR 50 -12.621 -1.964 -2.198 385 HG23 THR 50 2HG2 THR 50 -12.969 -2.372 -0.518 386 H LYS 51 H LYS 51 -13.917 -2.606 -5.105 387 HA LYS 51 HA LYS 51 -11.229 -2.586 -6.175 388 HB2 LYS 51 2HB LYS 51 -13.833 -1.374 -7.055 389 HB3 LYS 51 1HB LYS 51 -12.310 -0.986 -7.819 390 HG2 LYS 51 2HG LYS 51 -12.003 -3.439 -8.248 391 HG3 LYS 51 1HG LYS 51 -13.668 -3.655 -7.698 392 HD2 LYS 51 2HD LYS 51 -14.440 -2.135 -9.458 393 HD3 LYS 51 1HD LYS 51 -12.772 -1.924 -10.003 394 HE2 LYS 51 2HE LYS 51 -12.633 -4.309 -10.513 395 HE3 LYS 51 1HE LYS 51 -14.289 -4.534 -9.955 396 HZ1 LYS 51 3HZ LYS 51 -13.460 -2.836 -12.247 397 HZ2 LYS 51 1HZ LYS 51 -15.054 -3.087 -11.724 398 HZ3 LYS 51 2HZ LYS 51 -14.158 -4.378 -12.364 399 H ILE 52 H ILE 52 -9.796 -1.293 -5.334 400 HA ILE 52 HA ILE 52 -10.673 1.292 -4.225 401 HB ILE 52 HB ILE 52 -8.256 -0.343 -3.428 402 HG12 ILE 52 2HG1 ILE 52 -10.854 0.122 -1.943 403 HG13 ILE 52 1HG1 ILE 52 -10.414 -1.374 -2.759 404 HG21 ILE 52 1HG2 ILE 52 -7.933 2.060 -3.160 405 HG22 ILE 52 2HG2 ILE 52 -8.048 1.254 -1.595 406 HG23 ILE 52 3HG2 ILE 52 -9.424 2.162 -2.223 407 HD11 ILE 52 3HD1 ILE 52 -10.072 -1.514 -0.357 408 HD12 ILE 52 1HD1 ILE 52 -8.951 -0.153 -0.432 409 HD13 ILE 52 2HD1 ILE 52 -8.551 -1.671 -1.234 410 H ILE 53 H ILE 53 -9.885 3.056 -5.164 411 HA ILE 53 HA ILE 53 -7.776 2.739 -7.178 412 HB ILE 53 HB ILE 53 -10.021 4.705 -6.866 413 HG12 ILE 53 2HG1 ILE 53 -10.230 4.228 -9.343 414 HG13 ILE 53 1HG1 ILE 53 -8.975 3.011 -9.142 415 HG21 ILE 53 1HG2 ILE 53 -8.058 6.110 -7.123 416 HG22 ILE 53 2HG2 ILE 53 -9.037 6.141 -8.592 417 HG23 ILE 53 3HG2 ILE 53 -7.557 5.181 -8.540 418 HD11 ILE 53 3HD1 ILE 53 -11.164 1.993 -9.146 419 HD12 ILE 53 1HD1 ILE 53 -11.671 3.023 -7.809 420 HD13 ILE 53 2HD1 ILE 53 -10.413 1.813 -7.560 421 H MET 54 H MET 54 -5.822 3.597 -6.860 422 HA MET 54 HA MET 54 -5.241 5.071 -4.471 423 HB2 MET 54 2HB MET 54 -3.498 4.408 -6.856 424 HB3 MET 54 1HB MET 54 -2.940 5.037 -5.321 425 HG2 MET 54 2HG MET 54 -3.737 3.048 -4.196 426 HG3 MET 54 1HG MET 54 -4.301 2.394 -5.730 427 HE1 MET 54 3HE MET 54 -1.027 3.834 -3.964 428 HE2 MET 54 1HE MET 54 -0.088 2.338 -4.001 429 HE3 MET 54 2HE MET 54 -1.641 2.389 -3.157 430 H LYS 55 H LYS 55 -6.560 6.965 -4.806 431 HA LYS 55 HA LYS 55 -5.875 8.571 -7.157 432 HB2 LYS 55 2HB LYS 55 -7.937 9.912 -6.429 433 HB3 LYS 55 1HB LYS 55 -8.185 8.305 -7.095 434 HG2 LYS 55 2HG LYS 55 -8.493 7.400 -4.873 435 HG3 LYS 55 1HG LYS 55 -8.157 8.977 -4.160 436 HD2 LYS 55 2HD LYS 55 -10.539 8.614 -4.192 437 HD3 LYS 55 1HD LYS 55 -10.134 9.887 -5.342 438 HE2 LYS 55 2HE LYS 55 -10.396 7.037 -6.235 439 HE3 LYS 55 1HE LYS 55 -11.821 8.049 -6.030 440 HZ1 LYS 55 3HZ LYS 55 -11.089 8.108 -8.306 441 HZ2 LYS 55 1HZ LYS 55 -9.529 8.593 -7.852 442 HZ3 LYS 55 2HZ LYS 55 -10.842 9.637 -7.607 443 H GLY 56 H GLY 56 -3.789 8.945 -5.848 444 HA2 GLY 56 2HA GLY 56 -2.477 10.739 -5.204 445 HA3 GLY 56 1HA GLY 56 -3.931 11.709 -5.062 446 H ASN 57 H ASN 57 -5.381 10.584 -3.158 447 HA ASN 57 HA ASN 57 -3.973 11.266 -0.770 448 HB2 ASN 57 2HB ASN 57 -6.115 10.555 0.353 449 HB3 ASN 57 1HB ASN 57 -6.301 11.794 -0.886 450 HD21 ASN 57 1HD2 ASN 57 -6.757 8.409 -0.138 451 HD22 ASN 57 2HD2 ASN 57 -7.869 8.070 -1.427 452 H GLU 58 H GLU 58 -3.827 8.504 -2.525 453 HA GLU 58 HA GLU 58 -2.850 6.965 -0.298 454 HB2 GLU 58 2HB GLU 58 -4.301 5.008 -0.776 455 HB3 GLU 58 1HB GLU 58 -5.190 6.390 -0.154 456 HG2 GLU 58 2HG GLU 58 -5.553 6.892 -2.704 457 HG3 GLU 58 1HG GLU 58 -5.215 5.169 -2.853 458 H ILE 59 H ILE 59 -1.308 7.956 -2.068 459 HA ILE 59 HA ILE 59 -0.901 6.366 -4.411 460 HB ILE 59 HB ILE 59 1.296 7.591 -4.520 461 HG12 ILE 59 2HG1 ILE 59 0.164 9.011 -2.100 462 HG13 ILE 59 1HG1 ILE 59 1.602 7.995 -2.123 463 HG21 ILE 59 1HG2 ILE 59 -0.662 8.371 -5.709 464 HG22 ILE 59 2HG2 ILE 59 0.271 9.739 -5.098 465 HG23 ILE 59 3HG2 ILE 59 -1.208 9.242 -4.275 466 HD11 ILE 59 3HD1 ILE 59 2.691 9.595 -3.627 467 HD12 ILE 59 1HD1 ILE 59 2.202 10.337 -2.104 468 HD13 ILE 59 2HD1 ILE 59 1.253 10.615 -3.565 469 H PHE 60 H PHE 60 1.907 6.011 -4.368 470 HA PHE 60 HA PHE 60 2.006 3.383 -3.460 471 HB2 PHE 60 2HB PHE 60 3.482 4.333 -5.211 472 HB3 PHE 60 1HB PHE 60 4.342 5.235 -3.971 473 HD1 PHE 60 2HD PHE 60 3.526 1.813 -5.118 474 HD2 PHE 60 1HD PHE 60 6.116 4.259 -2.794 475 HE1 PHE 60 2HE PHE 60 5.040 -0.101 -4.797 476 HE2 PHE 60 1HE PHE 60 7.635 2.352 -2.472 477 HZ PHE 60 HZ PHE 60 7.099 0.170 -3.472 478 H ARG 61 H ARG 61 3.986 6.032 -2.148 479 HA ARG 61 HA ARG 61 4.465 6.741 -0.072 480 HB2 ARG 61 2HB ARG 61 2.035 6.765 0.193 481 HB3 ARG 61 1HB ARG 61 2.074 5.099 0.751 482 HG2 ARG 61 2HG ARG 61 1.864 6.824 2.547 483 HG3 ARG 61 1HG ARG 61 3.205 5.695 2.739 484 HD2 ARG 61 2HD ARG 61 3.884 7.985 3.259 485 HD3 ARG 61 1HD ARG 61 4.756 7.343 1.871 486 HE ARG 61 HE ARG 61 2.480 9.204 1.602 487 HH11 ARG 61 1HH1 ARG 61 5.693 8.136 0.718 488 HH12 ARG 61 2HH1 ARG 61 5.970 9.443 -0.384 489 HH21 ARG 61 1HH2 ARG 61 2.830 10.933 0.140 490 HH22 ARG 61 2HH2 ARG 61 4.344 11.035 -0.714 491 H LEU 62 H LEU 62 4.290 3.317 -0.549 492 HA LEU 62 HA LEU 62 5.325 2.373 1.870 493 HB2 LEU 62 2HB LEU 62 4.439 1.218 -0.373 494 HB3 LEU 62 1HB LEU 62 6.156 1.083 -0.685 495 HG LEU 62 HG LEU 62 5.072 -0.943 0.345 496 HD11 LEU 62 1HD1 LEU 62 6.874 -1.392 1.918 497 HD12 LEU 62 2HD1 LEU 62 7.305 0.320 1.922 498 HD13 LEU 62 3HD1 LEU 62 7.480 -0.630 0.446 499 HD21 LEU 62 3HD2 LEU 62 4.963 0.810 2.792 500 HD22 LEU 62 1HD2 LEU 62 4.608 -0.916 2.730 501 HD23 LEU 62 2HD2 LEU 62 3.573 0.229 1.875 502 H ASP 63 H ASP 63 6.790 4.166 -0.639 503 HA ASP 63 HA ASP 63 9.483 3.366 -0.366 504 HB2 ASP 63 2HB ASP 63 10.009 5.419 -1.590 505 HB3 ASP 63 1HB ASP 63 8.637 4.592 -2.321 506 H GLU 64 H GLU 64 7.463 5.430 1.560 507 HA GLU 64 HA GLU 64 9.514 6.961 2.799 508 HB2 GLU 64 2HB GLU 64 6.725 6.228 3.683 509 HB3 GLU 64 1HB GLU 64 7.780 7.276 4.621 510 HG2 GLU 64 2HG GLU 64 7.090 7.861 1.767 511 HG3 GLU 64 1HG GLU 64 6.067 8.374 3.105 512 H ALA 65 H ALA 65 8.228 3.771 3.334 513 HA ALA 65 HA ALA 65 9.285 3.409 5.958 514 HB1 ALA 65 1HB ALA 65 7.410 2.079 5.070 515 HB2 ALA 65 2HB ALA 65 8.731 1.068 5.656 516 HB3 ALA 65 3HB ALA 65 8.514 1.317 3.924 517 H LEU 66 H LEU 66 10.557 3.175 2.776 518 HA LEU 66 HA LEU 66 12.930 1.725 3.602 519 HB2 LEU 66 2HB LEU 66 12.216 2.955 0.937 520 HB3 LEU 66 1HB LEU 66 13.521 1.836 1.250 521 HG LEU 66 HG LEU 66 10.597 1.164 1.543 522 HD11 LEU 66 1HD1 LEU 66 12.536 0.445 -0.649 523 HD12 LEU 66 2HD1 LEU 66 11.188 1.575 -0.787 524 HD13 LEU 66 3HD1 LEU 66 10.879 -0.137 -0.498 525 HD21 LEU 66 3HD2 LEU 66 13.066 -0.565 1.640 526 HD22 LEU 66 1HD2 LEU 66 11.402 -1.150 1.677 527 HD23 LEU 66 2HD2 LEU 66 12.019 -0.162 3.002 528 H ARG 67 H ARG 67 11.918 4.904 2.511 529 HA ARG 67 HA ARG 67 14.421 6.185 2.486 530 HB2 ARG 67 2HB ARG 67 12.512 7.155 1.389 531 HB3 ARG 67 1HB ARG 67 11.612 7.218 2.896 532 HG2 ARG 67 2HG ARG 67 13.265 8.868 3.746 533 HG3 ARG 67 1HG ARG 67 14.015 8.871 2.144 534 HD2 ARG 67 2HD ARG 67 11.962 9.646 1.141 535 HD3 ARG 67 1HD ARG 67 11.117 9.515 2.681 536 HE ARG 67 HE ARG 67 13.399 11.308 2.641 537 HH11 ARG 67 1HH1 ARG 67 9.907 10.929 2.440 538 HH12 ARG 67 2HH1 ARG 67 9.601 12.625 2.682 539 HH21 ARG 67 1HH2 ARG 67 12.972 13.523 2.961 540 HH22 ARG 67 2HH2 ARG 67 11.330 14.098 2.961 541 H LYS 68 H LYS 68 12.064 5.616 5.018 542 HA LYS 68 HA LYS 68 12.164 5.703 7.272 543 HB2 LYS 68 2HB LYS 68 15.100 6.284 6.863 544 HB3 LYS 68 1HB LYS 68 14.347 6.010 8.428 545 HG2 LYS 68 2HG LYS 68 13.657 3.758 7.642 546 HG3 LYS 68 1HG LYS 68 14.571 4.042 6.158 547 HD2 LYS 68 2HD LYS 68 15.933 2.767 7.683 548 HD3 LYS 68 1HD LYS 68 16.604 4.392 7.542 549 HE2 LYS 68 2HE LYS 68 16.642 3.771 9.853 550 HE3 LYS 68 1HE LYS 68 15.397 5.001 9.637 551 HZ1 LYS 68 3HZ LYS 68 14.483 3.334 11.012 552 HZ2 LYS 68 1HZ LYS 68 15.022 2.081 10.001 553 HZ3 LYS 68 2HZ LYS 68 13.773 3.105 9.487 554 H GLY 69 H GLY 69 12.333 8.215 5.292 555 HA2 GLY 69 2HA GLY 69 12.730 10.342 7.214 556 HA3 GLY 69 1HA GLY 69 12.167 10.521 5.555 557 H HIS 70 H HIS 70 11.018 8.792 8.417 558 HA HIS 70 HA HIS 70 8.315 8.983 7.625 559 HB2 HIS 70 2HB HIS 70 7.785 7.916 9.741 560 HB3 HIS 70 1HB HIS 70 9.190 7.140 9.025 561 HD1 HIS 70 1HD HIS 70 7.982 8.482 12.128 562 HD2 HIS 70 2HD HIS 70 11.711 8.158 10.301 563 HE1 HIS 70 1HE HIS 70 9.669 8.805 13.958 564 HE2 HIS 70 2HE HIS 70 11.905 8.799 12.803 565 H SER 71 H SER 71 7.105 10.721 7.656 566 HA SER 71 HA SER 71 7.397 12.626 9.876 567 HB2 SER 71 2HB SER 71 5.799 12.924 7.318 568 HB3 SER 71 1HB SER 71 6.133 14.186 8.506 569 HG SER 71 HG SER 71 8.028 12.833 6.875 570 H GLU 72 H GLU 72 5.060 10.694 8.076 571 HA GLU 72 HA GLU 72 3.274 9.473 8.722 572 HB2 GLU 72 2HB GLU 72 4.246 10.102 11.511 573 HB3 GLU 72 1HB GLU 72 2.997 8.927 11.121 574 HG2 GLU 72 2HG GLU 72 4.528 7.529 9.991 575 HG3 GLU 72 1HG GLU 72 5.778 8.775 10.003 576 H GLY 73 H GLY 73 1.242 10.064 8.476 577 HA2 GLY 73 2HA GLY 73 -0.695 11.104 9.632 578 HA3 GLY 73 1HA GLY 73 0.338 12.505 9.884 579 H GLY 74 H GLY 74 1.298 13.411 7.806 580 HA2 GLY 74 2HA GLY 74 -0.841 13.462 5.772 581 HA3 GLY 74 1HA GLY 74 0.229 14.812 6.132
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