NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
629277 | 5oqs | 34170 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H LEU 1 1.807 0.000 0.855 2 HA LEU 1 HA LEU 1 3.067 -0.418 -1.031 3 HB2 LEU 1 2HB LEU 1 0.543 -1.331 -1.825 4 HB3 LEU 1 3HB LEU 1 1.060 -0.214 -3.087 5 HG LEU 1 HG LEU 1 3.284 -1.670 -2.910 6 HD11 LEU 1 1HD1 LEU 1 3.076 -3.500 -1.678 7 HD12 LEU 1 2HD1 LEU 1 1.817 -4.062 -2.778 8 HD13 LEU 1 3HD1 LEU 1 1.383 -3.131 -1.345 9 HD21 LEU 1 1HD2 LEU 1 1.248 -1.361 -4.713 10 HD22 LEU 1 2HD2 LEU 1 1.250 -3.104 -4.440 11 HD23 LEU 1 3HD2 LEU 1 2.720 -2.294 -4.983 12 H GLU 2 H GLU 2 4.217 1.086 -2.097 13 HA GLU 2 HA GLU 2 3.675 3.787 -1.890 14 HB2 GLU 2 2HB GLU 2 5.539 2.149 -3.525 15 HB3 GLU 2 3HB GLU 2 5.300 3.819 -4.021 16 HG2 GLU 2 2HG GLU 2 6.936 4.276 -2.582 17 HG3 GLU 2 3HG GLU 2 5.693 4.098 -1.345 18 H TYR 3 H TYR 3 2.814 5.345 -3.225 19 HA TYR 3 HA TYR 3 0.843 4.406 -5.121 20 HB2 TYR 3 2HB TYR 3 1.511 7.091 -3.941 21 HB3 TYR 3 3HB TYR 3 0.393 6.946 -5.292 22 HD1 TYR 3 HD1 TYR 3 -1.455 5.016 -4.891 23 HD2 TYR 3 HD2 TYR 3 0.576 7.177 -1.840 24 HE1 TYR 3 HE1 TYR 3 -3.287 4.519 -3.328 25 HE2 TYR 3 HE2 TYR 3 -1.250 6.684 -0.268 26 HH TYR 3 HH TYR 3 -3.232 5.732 0.012 27 H LYS 4 H LYS 4 0.782 4.830 -7.305 28 HA LYS 4 HA LYS 4 3.346 5.266 -8.564 29 HB2 LYS 4 2HB LYS 4 0.612 4.688 -9.717 30 HB3 LYS 4 3HB LYS 4 2.085 4.811 -10.670 31 HG2 LYS 4 2HG LYS 4 1.492 2.775 -8.533 32 HG3 LYS 4 3HG LYS 4 1.557 2.497 -10.275 33 HD2 LYS 4 2HD LYS 4 3.986 3.512 -9.973 34 HD3 LYS 4 3HD LYS 4 3.765 2.913 -8.327 35 HE2 LYS 4 2HE LYS 4 3.209 1.167 -10.700 36 HE3 LYS 4 3HE LYS 4 4.848 1.360 -10.079 37 HZ1 LYS 4 1HZ LYS 4 3.308 0.846 -7.870 38 HZ2 LYS 4 2HZ LYS 4 4.347 -0.240 -8.646 39 HZ3 LYS 4 3HZ LYS 4 2.704 -0.207 -9.050 40 H GLY 5 H GLY 5 4.054 7.287 -8.805 41 HA2 GLY 5 2HA GLY 5 2.182 9.267 -9.927 42 HA3 GLY 5 3HA GLY 5 3.192 9.688 -8.552 43 H GLU 6 H GLU 6 3.185 11.038 -11.049 44 HA GLU 6 HA GLU 6 5.815 10.298 -12.144 45 HB2 GLU 6 2HB GLU 6 3.855 12.150 -13.477 46 HB3 GLU 6 3HB GLU 6 5.201 11.279 -14.198 47 HG2 GLU 6 2HG GLU 6 3.612 9.882 -14.912 48 HG3 GLU 6 3HG GLU 6 3.710 9.222 -13.280 49 H CYS 7 H CYS 7 7.093 12.212 -12.974 50 HA CYS 7 HA CYS 7 6.845 14.478 -11.105 51 HB2 CYS 7 2HB CYS 7 9.048 14.377 -10.556 52 HB3 CYS 7 3HB CYS 7 8.858 12.686 -11.009 53 H PHE 8 H PHE 8 8.161 16.420 -11.918 54 HA PHE 8 HA PHE 8 7.592 16.762 -14.786 55 HB2 PHE 8 2HB PHE 8 7.500 18.687 -12.474 56 HB3 PHE 8 3HB PHE 8 7.615 19.259 -14.135 57 HD1 PHE 8 HD1 PHE 8 5.617 16.734 -12.241 58 HD2 PHE 8 HD2 PHE 8 5.638 19.903 -15.082 59 HE1 PHE 8 HE1 PHE 8 3.175 16.540 -12.470 60 HE2 PHE 8 HE2 PHE 8 3.197 19.715 -15.315 61 HZ PHE 8 HZ PHE 8 1.961 18.033 -14.008 62 H THR 9 H THR 9 8.971 18.697 -15.684 63 HA THR 9 HA THR 9 11.568 17.868 -15.999 64 HB THR 9 HB THR 9 11.505 20.747 -16.138 65 HG1 THR 9 HG1 THR 9 9.279 20.622 -16.278 66 HG21 THR 9 1HG2 THR 9 12.504 18.627 -17.589 67 HG22 THR 9 2HG2 THR 9 12.540 20.320 -18.080 68 HG23 THR 9 3HG2 THR 9 11.239 19.268 -18.637 69 H LYS 10 H LYS 10 13.430 19.677 -15.498 70 HA LYS 10 HA LYS 10 14.211 19.246 -12.876 71 HB2 LYS 10 2HB LYS 10 15.267 20.541 -15.139 72 HB3 LYS 10 3HB LYS 10 15.304 21.733 -13.847 73 HG2 LYS 10 2HG LYS 10 17.289 20.783 -13.401 74 HG3 LYS 10 3HG LYS 10 16.296 19.607 -12.537 75 HD2 LYS 10 2HD LYS 10 17.204 18.037 -13.832 76 HD3 LYS 10 3HD LYS 10 16.298 18.728 -15.179 77 HE2 LYS 10 2HE LYS 10 18.837 20.066 -14.476 78 HE3 LYS 10 3HE LYS 10 18.972 18.451 -15.170 79 HZ1 LYS 10 1HZ LYS 10 17.576 20.775 -16.381 80 HZ2 LYS 10 2HZ LYS 10 17.590 19.214 -17.033 81 HZ3 LYS 10 3HZ LYS 10 19.032 20.091 -16.906 82 H ASP 11 H ASP 11 11.669 21.095 -13.838 83 HA ASP 11 HA ASP 11 11.893 23.370 -12.163 84 HB2 ASP 11 2HB ASP 11 9.849 22.149 -13.865 85 HB3 ASP 11 3HB ASP 11 9.180 22.933 -12.436 86 H ASN 12 H ASN 12 11.689 20.189 -11.345 87 HA ASN 12 HA ASN 12 11.227 19.057 -9.427 88 HB2 ASN 12 2HB ASN 12 11.803 21.813 -8.561 89 HB3 ASN 12 3HB ASN 12 10.881 20.859 -7.402 90 HD21 ASN 12 1HD2 ASN 12 11.893 18.369 -7.737 91 HD22 ASN 12 2HD2 ASN 12 13.565 18.341 -7.302 92 H THR 13 H THR 13 9.242 18.207 -9.920 93 HA THR 13 HA THR 13 7.020 19.153 -8.393 94 HB THR 13 HB THR 13 6.081 18.994 -11.148 95 HG1 THR 13 HG1 THR 13 8.211 20.077 -11.335 96 HG21 THR 13 1HG2 THR 13 5.251 21.372 -10.279 97 HG22 THR 13 2HG2 THR 13 5.679 20.659 -8.723 98 HG23 THR 13 3HG2 THR 13 4.494 19.866 -9.761 99 H CYS 14 H CYS 14 5.329 17.642 -8.267 100 HA CYS 14 HA CYS 14 5.529 15.199 -9.839 101 HB2 CYS 14 2HB CYS 14 6.112 15.388 -6.918 102 HB3 CYS 14 3HB CYS 14 5.247 13.972 -7.503 103 H LYS 15 H LYS 15 3.612 14.079 -10.009 104 HA LYS 15 HA LYS 15 1.307 15.133 -8.521 105 HB2 LYS 15 2HB LYS 15 1.166 16.190 -10.663 106 HB3 LYS 15 3HB LYS 15 1.510 14.681 -11.498 107 HG2 LYS 15 2HG LYS 15 -0.826 15.205 -11.706 108 HG3 LYS 15 3HG LYS 15 -0.635 13.776 -10.687 109 HD2 LYS 15 2HD LYS 15 -1.995 14.849 -9.263 110 HD3 LYS 15 3HD LYS 15 -0.568 15.802 -8.851 111 HE2 LYS 15 2HE LYS 15 -2.380 17.304 -9.308 112 HE3 LYS 15 3HE LYS 15 -1.213 17.421 -10.624 113 HZ1 LYS 15 1HZ LYS 15 -2.763 16.826 -12.071 114 HZ2 LYS 15 2HZ LYS 15 -3.915 16.911 -10.835 115 HZ3 LYS 15 3HZ LYS 15 -3.159 15.439 -11.187 116 H TYR 16 H TYR 16 0.613 13.491 -7.320 117 HA TYR 16 HA TYR 16 0.634 10.786 -8.478 118 HB2 TYR 16 2HB TYR 16 0.621 9.938 -6.201 119 HB3 TYR 16 3HB TYR 16 1.943 11.084 -6.396 120 HD1 TYR 16 HD1 TYR 16 -1.024 10.261 -4.551 121 HD2 TYR 16 HD2 TYR 16 1.633 13.441 -5.516 122 HE1 TYR 16 HE1 TYR 16 -1.851 11.532 -2.614 123 HE2 TYR 16 HE2 TYR 16 0.814 14.720 -3.581 124 HH TYR 16 HH TYR 16 -1.287 13.309 -1.201 125 H LYS 17 H LYS 17 -1.176 9.384 -7.995 126 HA LYS 17 HA LYS 17 -3.692 10.881 -7.656 127 HB2 LYS 17 2HB LYS 17 -3.441 10.027 -9.930 128 HB3 LYS 17 3HB LYS 17 -3.163 8.405 -9.309 129 HG2 LYS 17 2HG LYS 17 -5.429 8.349 -8.413 130 HG3 LYS 17 3HG LYS 17 -5.711 9.985 -9.014 131 HD2 LYS 17 2HD LYS 17 -4.787 7.898 -10.929 132 HD3 LYS 17 3HD LYS 17 -6.469 7.869 -10.394 133 HE2 LYS 17 2HE LYS 17 -5.302 10.450 -11.315 134 HE3 LYS 17 3HE LYS 17 -5.726 9.237 -12.522 135 HZ1 LYS 17 1HZ LYS 17 -7.903 9.564 -12.202 136 HZ2 LYS 17 2HZ LYS 17 -7.436 11.041 -11.525 137 HZ3 LYS 17 3HZ LYS 17 -7.758 9.717 -10.523 138 H ILE 18 H ILE 18 -5.170 10.151 -6.212 139 HA ILE 18 HA ILE 18 -4.588 7.615 -4.834 140 HB ILE 18 HB ILE 18 -5.580 10.132 -3.492 141 HG12 ILE 18 2HG1 ILE 18 -3.224 10.331 -4.176 142 HG13 ILE 18 3HG1 ILE 18 -3.377 10.228 -2.425 143 HG21 ILE 18 1HG2 ILE 18 -5.010 7.352 -2.530 144 HG22 ILE 18 2HG2 ILE 18 -4.938 8.729 -1.432 145 HG23 ILE 18 3HG2 ILE 18 -6.442 8.348 -2.269 146 HD11 ILE 18 1HD1 ILE 18 -1.840 8.638 -2.504 147 HD12 ILE 18 2HD1 ILE 18 -3.061 7.601 -3.242 148 HD13 ILE 18 3HD1 ILE 18 -1.953 8.520 -4.259 149 H ASP 19 H ASP 19 -6.363 6.443 -4.082 150 HA ASP 19 HA ASP 19 -8.632 6.375 -5.634 151 HB2 ASP 19 2HB ASP 19 -7.891 4.561 -4.107 152 HB3 ASP 19 3HB ASP 19 -8.453 5.517 -2.739 153 H GLY 20 H GLY 20 -10.233 7.775 -5.898 154 HA2 GLY 20 2HA GLY 20 -12.165 8.876 -4.947 155 HA3 GLY 20 3HA GLY 20 -11.186 9.272 -3.543 156 H LYS 21 H LYS 21 -9.343 10.770 -3.931 157 HA LYS 21 HA LYS 21 -9.945 12.677 -6.093 158 HB2 LYS 21 2HB LYS 21 -9.436 13.200 -3.177 159 HB3 LYS 21 3HB LYS 21 -9.105 14.434 -4.386 160 HG2 LYS 21 2HG LYS 21 -11.774 13.107 -3.963 161 HG3 LYS 21 3HG LYS 21 -11.311 14.689 -3.332 162 HD2 LYS 21 2HD LYS 21 -11.452 13.910 -6.245 163 HD3 LYS 21 3HD LYS 21 -12.621 14.910 -5.380 164 HE2 LYS 21 2HE LYS 21 -10.318 16.224 -4.831 165 HE3 LYS 21 3HE LYS 21 -9.956 15.583 -6.432 166 HZ1 LYS 21 1HZ LYS 21 -12.200 17.357 -5.659 167 HZ2 LYS 21 2HZ LYS 21 -12.135 16.556 -7.148 168 HZ3 LYS 21 3HZ LYS 21 -10.943 17.686 -6.744 169 H THR 22 H THR 22 -8.178 13.839 -6.940 170 HA THR 22 HA THR 22 -5.601 12.502 -6.516 171 HB THR 22 HB THR 22 -6.527 14.253 -8.801 172 HG1 THR 22 HG1 THR 22 -7.255 11.910 -8.459 173 HG21 THR 22 1HG2 THR 22 -3.948 12.717 -8.460 174 HG22 THR 22 2HG2 THR 22 -4.117 14.471 -8.407 175 HG23 THR 22 3HG2 THR 22 -4.444 13.599 -9.903 176 H TYR 23 H TYR 23 -3.765 13.604 -5.965 177 HA TYR 23 HA TYR 23 -3.998 16.500 -5.521 178 HB2 TYR 23 2HB TYR 23 -2.511 14.790 -3.558 179 HB3 TYR 23 3HB TYR 23 -3.197 16.395 -3.336 180 HD1 TYR 23 HD1 TYR 23 -4.050 12.806 -3.657 181 HD2 TYR 23 HD2 TYR 23 -5.399 16.677 -2.517 182 HE1 TYR 23 HE1 TYR 23 -6.049 11.802 -2.636 183 HE2 TYR 23 HE2 TYR 23 -7.401 15.683 -1.491 184 HH TYR 23 HH TYR 23 -7.733 12.287 -1.020 185 H LEU 24 H LEU 24 -1.789 17.480 -5.066 186 HA LEU 24 HA LEU 24 0.157 16.266 -6.908 187 HB2 LEU 24 2HB LEU 24 -0.934 18.783 -6.916 188 HB3 LEU 24 3HB LEU 24 0.612 19.040 -6.110 189 HG LEU 24 HG LEU 24 0.890 17.462 -8.533 190 HD11 LEU 24 1HD1 LEU 24 0.143 20.297 -9.064 191 HD12 LEU 24 2HD1 LEU 24 -1.126 19.080 -8.939 192 HD13 LEU 24 3HD1 LEU 24 0.144 18.907 -10.150 193 HD21 LEU 24 1HD2 LEU 24 2.842 18.569 -8.651 194 HD22 LEU 24 2HD2 LEU 24 2.472 19.022 -6.987 195 HD23 LEU 24 3HD2 LEU 24 2.099 20.131 -8.307 196 H ALA 25 H ALA 25 2.375 16.262 -6.371 197 HA ALA 25 HA ALA 25 2.982 16.721 -3.527 198 HB1 ALA 25 1HB ALA 25 4.585 14.675 -3.902 199 HB2 ALA 25 2HB ALA 25 2.890 14.432 -3.478 200 HB3 ALA 25 3HB ALA 25 3.412 14.264 -5.154 201 H LYS 26 H LYS 26 5.149 17.266 -3.047 202 HA LYS 26 HA LYS 26 6.602 18.379 -5.348 203 HB2 LYS 26 2HB LYS 26 6.062 20.107 -3.816 204 HB3 LYS 26 3HB LYS 26 6.537 19.132 -2.431 205 HG2 LYS 26 2HG LYS 26 8.162 20.888 -2.909 206 HG3 LYS 26 3HG LYS 26 8.866 19.280 -3.095 207 HD2 LYS 26 2HD LYS 26 9.391 19.697 -5.218 208 HD3 LYS 26 3HD LYS 26 7.729 20.165 -5.584 209 HE2 LYS 26 2HE LYS 26 8.762 22.144 -6.028 210 HE3 LYS 26 3HE LYS 26 8.471 22.367 -4.304 211 HZ1 LYS 26 1HZ LYS 26 10.828 22.756 -5.356 212 HZ2 LYS 26 2HZ LYS 26 10.973 21.087 -5.121 213 HZ3 LYS 26 3HZ LYS 26 10.660 22.102 -3.804 214 H CYS 27 H CYS 27 8.753 17.940 -5.679 215 HA CYS 27 HA CYS 27 9.875 15.766 -4.038 216 HB2 CYS 27 2HB CYS 27 10.050 16.383 -6.968 217 HB3 CYS 27 3HB CYS 27 11.336 15.466 -6.189 218 HA PRO 28 HA PRO 28 13.310 18.235 -2.876 219 HB2 PRO 28 2HB PRO 28 15.346 16.439 -2.931 220 HB3 PRO 28 3HB PRO 28 14.083 16.422 -1.694 221 HG2 PRO 28 2HG PRO 28 14.336 14.752 -4.165 222 HG3 PRO 28 3HG PRO 28 13.862 14.263 -2.528 223 HD2 PRO 28 2HD PRO 28 12.057 14.687 -4.502 224 HD3 PRO 28 3HD PRO 28 11.699 15.015 -2.794 225 H SER 29 H SER 29 15.202 19.282 -3.618 226 HA SER 29 HA SER 29 15.423 19.357 -6.506 227 HB2 SER 29 2HB SER 29 17.337 21.030 -5.121 228 HB3 SER 29 3HB SER 29 16.005 21.499 -6.177 229 HG SER 29 HG SER 29 16.088 21.273 -3.396 230 H ALA 30 H ALA 30 16.710 17.402 -4.269 231 HA ALA 30 HA ALA 30 19.464 17.400 -4.661 232 HB1 ALA 30 1HB ALA 30 18.663 14.709 -4.410 233 HB2 ALA 30 2HB ALA 30 19.253 15.792 -3.148 234 HB3 ALA 30 3HB ALA 30 17.523 15.674 -3.471 235 H ALA 31 H ALA 31 20.761 16.822 -6.288 236 HA ALA 31 HA ALA 31 19.812 16.364 -8.873 237 HB1 ALA 31 1HB ALA 31 22.491 16.059 -7.578 238 HB2 ALA 31 2HB ALA 31 22.244 15.547 -9.248 239 HB3 ALA 31 3HB ALA 31 21.958 17.225 -8.789 240 H ASN 32 H ASN 32 20.234 14.193 -6.253 241 HA ASN 32 HA ASN 32 20.442 11.820 -7.889 242 HB2 ASN 32 2HB ASN 32 21.175 12.379 -5.321 243 HB3 ASN 32 3HB ASN 32 19.667 11.507 -5.062 244 HD21 ASN 32 1HD2 ASN 32 22.783 11.325 -6.699 245 HD22 ASN 32 2HD2 ASN 32 22.913 9.603 -6.646 246 H THR 33 H THR 33 17.948 13.689 -6.358 247 HA THR 33 HA THR 33 15.955 11.688 -7.208 248 HB THR 33 HB THR 33 14.643 13.355 -5.421 249 HG1 THR 33 HG1 THR 33 16.134 13.118 -3.554 250 HG21 THR 33 1HG2 THR 33 15.687 10.587 -5.432 251 HG22 THR 33 2HG2 THR 33 14.046 11.180 -5.172 252 HG23 THR 33 3HG2 THR 33 15.226 11.244 -3.862 253 H LYS 34 H LYS 34 17.241 14.142 -8.529 254 HA LYS 34 HA LYS 34 14.956 15.891 -8.917 255 HB2 LYS 34 2HB LYS 34 17.836 15.939 -9.640 256 HB3 LYS 34 3HB LYS 34 16.737 16.796 -10.713 257 HG2 LYS 34 2HG LYS 34 16.355 17.329 -7.849 258 HG3 LYS 34 3HG LYS 34 17.890 17.878 -8.527 259 HD2 LYS 34 2HD LYS 34 15.487 18.470 -10.133 260 HD3 LYS 34 3HD LYS 34 15.614 19.325 -8.594 261 HE2 LYS 34 2HE LYS 34 17.770 19.241 -10.702 262 HE3 LYS 34 3HE LYS 34 16.614 20.557 -10.502 263 HZ1 LYS 34 1HZ LYS 34 18.847 19.770 -8.757 264 HZ2 LYS 34 2HZ LYS 34 17.515 20.571 -8.090 265 HZ3 LYS 34 3HZ LYS 34 18.417 21.307 -9.318 266 H CYS 35 H CYS 35 14.657 16.573 -11.352 267 HA CYS 35 HA CYS 35 14.454 14.118 -12.969 268 HB2 CYS 35 2HB CYS 35 12.419 16.339 -12.696 269 HB3 CYS 35 3HB CYS 35 12.323 15.046 -13.887 270 H GLU 36 H GLU 36 15.446 14.240 -14.867 271 HA GLU 36 HA GLU 36 16.423 16.814 -15.802 272 HB2 GLU 36 2HB GLU 36 17.798 15.550 -17.331 273 HB3 GLU 36 3HB GLU 36 17.921 14.837 -15.729 274 HG2 GLU 36 2HG GLU 36 16.051 13.252 -16.561 275 HG3 GLU 36 3HG GLU 36 16.554 13.783 -18.164 276 H LYS 37 H LYS 37 13.873 14.631 -16.452 277 HA LYS 37 HA LYS 37 13.029 16.287 -18.708 278 HB2 LYS 37 2HB LYS 37 14.255 14.036 -19.355 279 HB3 LYS 37 3HB LYS 37 12.690 13.329 -18.972 280 HG2 LYS 37 2HG LYS 37 11.647 14.886 -20.597 281 HG3 LYS 37 3HG LYS 37 13.263 15.440 -21.040 282 HD2 LYS 37 2HD LYS 37 13.279 12.610 -21.135 283 HD3 LYS 37 3HD LYS 37 11.831 13.160 -21.981 284 HE2 LYS 37 2HE LYS 37 13.408 13.170 -23.668 285 HE3 LYS 37 3HE LYS 37 13.453 14.843 -23.115 286 HZ1 LYS 37 1HZ LYS 37 15.677 14.033 -23.369 287 HZ2 LYS 37 2HZ LYS 37 15.363 12.688 -22.394 288 HZ3 LYS 37 3HZ LYS 37 15.373 14.238 -21.717 289 H ASP 38 H ASP 38 10.957 16.839 -18.531 290 HA ASP 38 HA ASP 38 9.367 16.173 -16.355 291 HB2 ASP 38 2HB ASP 38 9.131 18.116 -18.039 292 HB3 ASP 38 3HB ASP 38 8.191 16.981 -19.005 293 H GLY 39 H GLY 39 7.797 14.676 -15.956 294 HA2 GLY 39 2HA GLY 39 6.232 12.997 -16.558 295 HA3 GLY 39 3HA GLY 39 7.067 12.806 -18.092 296 H ASN 40 H ASN 40 9.374 12.984 -15.730 297 HA ASN 40 HA ASN 40 10.179 10.307 -16.020 298 HB2 ASN 40 2HB ASN 40 11.228 12.656 -14.866 299 HB3 ASN 40 3HB ASN 40 11.208 11.450 -13.583 300 HD21 ASN 40 1HD2 ASN 40 13.204 12.756 -15.641 301 HD22 ASN 40 2HD2 ASN 40 14.193 11.408 -16.078 302 H LYS 41 H LYS 41 10.751 9.100 -13.782 303 HA LYS 41 HA LYS 41 8.205 8.248 -12.772 304 HB2 LYS 41 2HB LYS 41 10.857 7.198 -12.901 305 HB3 LYS 41 3HB LYS 41 10.326 7.152 -11.225 306 HG2 LYS 41 2HG LYS 41 8.923 5.927 -13.590 307 HG3 LYS 41 3HG LYS 41 9.787 5.073 -12.309 308 HD2 LYS 41 2HD LYS 41 8.074 6.426 -10.790 309 HD3 LYS 41 3HD LYS 41 7.116 6.371 -12.272 310 HE2 LYS 41 2HE LYS 41 8.218 4.047 -10.704 311 HE3 LYS 41 3HE LYS 41 6.525 4.476 -10.943 312 HZ1 LYS 41 1HZ LYS 41 6.603 3.029 -12.617 313 HZ2 LYS 41 2HZ LYS 41 8.293 2.989 -12.649 314 HZ3 LYS 41 3HZ LYS 41 7.461 4.211 -13.471 315 H CYS 42 H CYS 42 7.511 8.281 -10.598 316 HA CYS 42 HA CYS 42 8.961 9.904 -8.681 317 HB2 CYS 42 2HB CYS 42 7.542 11.463 -10.125 318 HB3 CYS 42 3HB CYS 42 6.138 10.700 -9.385 319 H THR 43 H THR 43 8.033 9.810 -6.533 320 HA THR 43 HA THR 43 5.962 7.796 -6.106 321 HB THR 43 HB THR 43 7.969 7.283 -4.156 322 HG1 THR 43 HG1 THR 43 9.545 7.984 -5.583 323 HG21 THR 43 1HG2 THR 43 6.639 5.768 -6.369 324 HG22 THR 43 2HG2 THR 43 6.497 5.554 -4.624 325 HG23 THR 43 3HG2 THR 43 7.958 5.029 -5.462 326 H TYR 44 H TYR 44 4.925 7.939 -4.096 327 HA TYR 44 HA TYR 44 5.728 10.152 -2.347 328 HB2 TYR 44 2HB TYR 44 4.080 11.304 -3.479 329 HB3 TYR 44 3HB TYR 44 3.144 9.852 -3.815 330 HD1 TYR 44 HD1 TYR 44 1.068 9.872 -2.829 331 HD2 TYR 44 HD2 TYR 44 4.338 11.595 -0.723 332 HE1 TYR 44 HE1 TYR 44 -0.428 10.395 -0.948 333 HE2 TYR 44 HE2 TYR 44 2.852 12.123 1.164 334 HH TYR 44 HH TYR 44 0.779 12.066 1.947 335 H ASP 45 H ASP 45 5.945 9.388 -0.363 336 HA ASP 45 HA ASP 45 4.479 6.982 0.425 337 HB2 ASP 45 2HB ASP 45 7.012 7.236 0.706 338 HB3 ASP 45 3HB ASP 45 6.641 8.353 2.017 339 H SER 46 H SER 46 2.713 7.125 1.625 340 HA SER 46 HA SER 46 1.961 9.650 2.819 341 HB2 SER 46 2HB SER 46 -0.189 8.808 2.935 342 HB3 SER 46 3HB SER 46 0.453 7.858 1.595 343 HG SER 46 HG SER 46 -0.617 6.911 3.742 344 H TYR 47 H TYR 47 3.386 6.686 3.820 345 HA TYR 47 HA TYR 47 2.627 6.705 6.543 346 HB2 TYR 47 2HB TYR 47 3.619 4.756 5.289 347 HB3 TYR 47 3HB TYR 47 5.179 5.564 5.395 348 HD1 TYR 47 HD1 TYR 47 2.665 3.641 7.182 349 HD2 TYR 47 HD2 TYR 47 6.277 5.852 7.588 350 HE1 TYR 47 HE1 TYR 47 3.033 2.624 9.392 351 HE2 TYR 47 HE2 TYR 47 6.655 4.841 9.798 352 HH TYR 47 HH TYR 47 4.683 3.661 11.642 353 H ASN 48 H ASN 48 5.421 8.037 4.823 354 HA ASN 48 HA ASN 48 6.217 9.420 7.295 355 HB2 ASN 48 2HB ASN 48 8.229 9.722 5.333 356 HB3 ASN 48 3HB ASN 48 8.291 8.747 6.798 357 HD21 ASN 48 1HD2 ASN 48 8.541 8.690 3.507 358 HD22 ASN 48 2HD2 ASN 48 8.300 7.001 3.236 359 H ARG 49 H ARG 49 4.467 9.948 4.598 360 HA ARG 49 HA ARG 49 3.766 11.787 3.457 361 HB2 ARG 49 2HB ARG 49 4.999 13.464 5.632 362 HB3 ARG 49 3HB ARG 49 3.578 13.812 4.657 363 HG2 ARG 49 2HG ARG 49 2.631 11.664 5.814 364 HG3 ARG 49 3HG ARG 49 3.865 12.029 7.022 365 HD2 ARG 49 2HD ARG 49 1.960 14.135 6.061 366 HD3 ARG 49 3HD ARG 49 1.501 13.006 7.335 367 HE ARG 49 HE ARG 49 3.976 14.136 7.995 368 HH11 ARG 49 1HH1 ARG 49 0.636 15.058 7.656 369 HH12 ARG 49 2HH1 ARG 49 0.733 16.330 8.829 370 HH21 ARG 49 1HH2 ARG 49 4.116 15.807 9.541 371 HH22 ARG 49 2HH2 ARG 49 2.713 16.756 9.899 372 H LYS 50 H LYS 50 6.530 10.753 3.086 373 HA LYS 50 HA LYS 50 7.862 13.193 2.129 374 HB2 LYS 50 2HB LYS 50 9.397 12.098 3.492 375 HB3 LYS 50 3HB LYS 50 8.867 10.501 2.977 376 HG2 LYS 50 2HG LYS 50 10.237 10.474 1.187 377 HG3 LYS 50 3HG LYS 50 10.058 12.204 0.885 378 HD2 LYS 50 2HD LYS 50 12.253 12.087 1.579 379 HD3 LYS 50 3HD LYS 50 11.427 12.435 3.100 380 HE2 LYS 50 2HE LYS 50 11.439 9.623 2.740 381 HE3 LYS 50 3HE LYS 50 13.071 10.209 2.425 382 HZ1 LYS 50 1HZ LYS 50 11.762 11.311 4.770 383 HZ2 LYS 50 2HZ LYS 50 13.363 10.808 4.559 384 HZ3 LYS 50 3HZ LYS 50 12.151 9.667 4.857 385 H VAL 51 H VAL 51 8.291 13.489 0.005 386 HA VAL 51 HA VAL 51 7.345 11.399 -1.844 387 HB VAL 51 HB VAL 51 7.544 14.373 -2.339 388 HG11 VAL 51 1HG1 VAL 51 6.458 13.961 -4.428 389 HG12 VAL 51 2HG1 VAL 51 7.861 12.896 -4.328 390 HG13 VAL 51 3HG1 VAL 51 6.244 12.254 -4.040 391 HG21 VAL 51 1HG2 VAL 51 5.245 14.544 -2.020 392 HG22 VAL 51 2HG2 VAL 51 4.997 12.803 -2.156 393 HG23 VAL 51 3HG2 VAL 51 5.755 13.476 -0.712 394 H LYS 52 H LYS 52 8.871 10.376 -2.939 395 HA LYS 52 HA LYS 52 11.414 11.772 -3.458 396 HB2 LYS 52 2HB LYS 52 11.655 9.850 -1.948 397 HB3 LYS 52 3HB LYS 52 10.910 8.805 -3.151 398 HG2 LYS 52 2HG LYS 52 12.838 9.586 -4.682 399 HG3 LYS 52 3HG LYS 52 13.611 10.085 -3.176 400 HD2 LYS 52 2HD LYS 52 13.663 7.883 -2.350 401 HD3 LYS 52 3HD LYS 52 12.501 7.317 -3.553 402 HE2 LYS 52 2HE LYS 52 14.451 8.216 -5.174 403 HE3 LYS 52 3HE LYS 52 15.415 7.749 -3.774 404 HZ1 LYS 52 1HZ LYS 52 15.016 5.994 -5.532 405 HZ2 LYS 52 2HZ LYS 52 13.420 5.926 -4.976 406 HZ3 LYS 52 3HZ LYS 52 14.696 5.544 -3.933 407 H CYS 53 H CYS 53 12.234 11.802 -5.501 408 HA CYS 53 HA CYS 53 10.560 10.587 -7.601 409 HB2 CYS 53 2HB CYS 53 11.994 13.219 -7.464 410 HB3 CYS 53 3HB CYS 53 11.679 12.470 -9.026 411 H ASP 54 H ASP 54 11.536 9.490 -9.264 412 HA ASP 54 HA ASP 54 14.460 9.293 -9.260 413 HB2 ASP 54 2HB ASP 54 14.009 7.371 -8.020 414 HB3 ASP 54 3HB ASP 54 12.509 7.045 -8.884 415 H PHE 55 H PHE 55 15.382 8.733 -11.245 416 HA PHE 55 HA PHE 55 13.532 8.564 -13.525 417 HB2 PHE 55 2HB PHE 55 15.151 10.019 -14.798 418 HB3 PHE 55 3HB PHE 55 14.265 10.841 -13.518 419 HD1 PHE 55 HD1 PHE 55 15.455 11.064 -11.244 420 HD2 PHE 55 HD2 PHE 55 17.458 10.154 -14.889 421 HE1 PHE 55 HE1 PHE 55 17.580 11.824 -10.263 422 HE2 PHE 55 HE2 PHE 55 19.585 10.912 -13.913 423 HZ PHE 55 HZ PHE 55 19.648 11.747 -11.597 424 H ARG 56 H ARG 56 14.281 7.415 -15.329 425 HA ARG 56 HA ARG 56 16.902 6.205 -15.296 426 HB2 ARG 56 2HB ARG 56 14.469 4.725 -14.487 427 HB3 ARG 56 3HB ARG 56 15.531 3.902 -15.622 428 HG2 ARG 56 2HG ARG 56 17.387 4.611 -13.907 429 HG3 ARG 56 3HG ARG 56 16.017 4.692 -12.797 430 HD2 ARG 56 2HD ARG 56 15.915 2.474 -12.641 431 HD3 ARG 56 3HD ARG 56 15.928 2.289 -14.394 432 HE ARG 56 HE ARG 56 18.526 2.878 -13.620 433 HH11 ARG 56 1HH1 ARG 56 16.182 0.355 -13.113 434 HH12 ARG 56 2HH1 ARG 56 17.371 -0.889 -12.912 435 HH21 ARG 56 1HH2 ARG 56 20.101 1.250 -13.356 436 HH22 ARG 56 2HH2 ARG 56 19.600 -0.378 -13.049 437 H HIS 57 H HIS 57 17.477 5.262 -17.282 438 HA HIS 57 HA HIS 57 17.540 5.203 -19.559 439 HB2 HIS 57 2HB HIS 57 16.057 3.367 -19.402 440 HB3 HIS 57 3HB HIS 57 14.693 4.400 -18.985 441 HD1 HIS 57 HD1 HIS 57 13.116 4.716 -20.849 442 HD2 HIS 57 HD2 HIS 57 16.987 4.062 -22.210 443 HE1 HIS 57 HE1 HIS 57 12.955 4.713 -23.359 Start of MODEL 2 1 H1 LEU 1 H LEU 1 3.232 -1.533 -1.069 2 HA LEU 1 HA LEU 1 2.675 -1.520 -3.362 3 HB2 LEU 1 2HB LEU 1 -0.162 -1.132 -2.422 4 HB3 LEU 1 3HB LEU 1 0.365 -1.332 -4.092 5 HG LEU 1 HG LEU 1 0.639 -3.443 -1.955 6 HD11 LEU 1 1HD1 LEU 1 -1.321 -4.426 -2.671 7 HD12 LEU 1 2HD1 LEU 1 -1.318 -3.563 -4.209 8 HD13 LEU 1 3HD1 LEU 1 -1.734 -2.712 -2.722 9 HD21 LEU 1 1HD2 LEU 1 1.642 -3.154 -4.654 10 HD22 LEU 1 2HD2 LEU 1 0.634 -4.590 -4.481 11 HD23 LEU 1 3HD2 LEU 1 2.031 -4.361 -3.428 12 H GLU 2 H GLU 2 3.955 0.377 -3.163 13 HA GLU 2 HA GLU 2 3.154 2.863 -2.272 14 HB2 GLU 2 2HB GLU 2 5.233 1.830 -4.055 15 HB3 GLU 2 3HB GLU 2 4.747 3.477 -4.436 16 HG2 GLU 2 2HG GLU 2 5.666 2.511 -1.737 17 HG3 GLU 2 3HG GLU 2 6.652 3.393 -2.902 18 H TYR 3 H TYR 3 2.583 4.803 -3.501 19 HA TYR 3 HA TYR 3 0.390 4.244 -5.300 20 HB2 TYR 3 2HB TYR 3 1.426 6.723 -3.951 21 HB3 TYR 3 3HB TYR 3 0.219 6.828 -5.228 22 HD1 TYR 3 HD1 TYR 3 -1.841 5.158 -4.883 23 HD2 TYR 3 HD2 TYR 3 0.668 6.629 -1.777 24 HE1 TYR 3 HE1 TYR 3 -3.620 4.716 -3.244 25 HE2 TYR 3 HE2 TYR 3 -1.104 6.189 -0.129 26 HH TYR 3 HH TYR 3 -3.086 5.164 0.215 27 H LYS 4 H LYS 4 0.217 4.876 -7.429 28 HA LYS 4 HA LYS 4 2.717 5.151 -8.852 29 HB2 LYS 4 2HB LYS 4 -0.130 5.020 -9.862 30 HB3 LYS 4 3HB LYS 4 1.306 4.983 -10.877 31 HG2 LYS 4 2HG LYS 4 0.497 2.925 -8.833 32 HG3 LYS 4 3HG LYS 4 0.447 2.752 -10.589 33 HD2 LYS 4 2HD LYS 4 2.931 3.132 -10.597 34 HD3 LYS 4 3HD LYS 4 2.883 3.028 -8.835 35 HE2 LYS 4 2HE LYS 4 1.980 0.878 -10.751 36 HE3 LYS 4 3HE LYS 4 3.507 0.891 -9.870 37 HZ1 LYS 4 1HZ LYS 4 1.798 -0.492 -8.809 38 HZ2 LYS 4 2HZ LYS 4 0.825 0.875 -8.596 39 HZ3 LYS 4 3HZ LYS 4 2.316 0.766 -7.803 40 H GLY 5 H GLY 5 3.631 7.097 -8.989 41 HA2 GLY 5 2HA GLY 5 1.911 9.364 -9.763 42 HA3 GLY 5 3HA GLY 5 3.086 9.542 -8.468 43 H GLU 6 H GLU 6 2.975 11.080 -10.879 44 HA GLU 6 HA GLU 6 5.428 10.189 -12.241 45 HB2 GLU 6 2HB GLU 6 3.523 12.259 -13.308 46 HB3 GLU 6 3HB GLU 6 4.732 11.332 -14.185 47 HG2 GLU 6 2HG GLU 6 2.914 10.176 -14.839 48 HG3 GLU 6 3HG GLU 6 3.218 9.316 -13.331 49 H CYS 7 H CYS 7 6.752 12.075 -13.120 50 HA CYS 7 HA CYS 7 6.902 14.191 -11.073 51 HB2 CYS 7 2HB CYS 7 9.123 13.864 -10.817 52 HB3 CYS 7 3HB CYS 7 8.794 12.276 -11.503 53 H PHE 8 H PHE 8 8.200 16.132 -11.902 54 HA PHE 8 HA PHE 8 7.303 16.743 -14.640 55 HB2 PHE 8 2HB PHE 8 6.876 18.121 -12.178 56 HB3 PHE 8 3HB PHE 8 7.884 19.134 -13.206 57 HD1 PHE 8 HD1 PHE 8 5.127 16.784 -14.065 58 HD2 PHE 8 HD2 PHE 8 6.523 20.805 -14.028 59 HE1 PHE 8 HE1 PHE 8 3.131 17.485 -15.321 60 HE2 PHE 8 HE2 PHE 8 4.529 21.513 -15.283 61 HZ PHE 8 HZ PHE 8 2.829 19.852 -15.930 62 H THR 9 H THR 9 8.628 18.642 -15.592 63 HA THR 9 HA THR 9 11.189 17.792 -16.146 64 HB THR 9 HB THR 9 11.184 20.643 -16.322 65 HG1 THR 9 HG1 THR 9 9.160 21.087 -16.712 66 HG21 THR 9 1HG2 THR 9 11.849 20.180 -18.420 67 HG22 THR 9 2HG2 THR 9 10.470 19.124 -18.724 68 HG23 THR 9 3HG2 THR 9 11.885 18.504 -17.874 69 H LYS 10 H LYS 10 13.072 19.632 -15.812 70 HA LYS 10 HA LYS 10 14.097 19.195 -13.279 71 HB2 LYS 10 2HB LYS 10 14.825 20.724 -15.607 72 HB3 LYS 10 3HB LYS 10 15.172 21.651 -14.153 73 HG2 LYS 10 2HG LYS 10 16.036 18.806 -14.285 74 HG3 LYS 10 3HG LYS 10 16.951 20.027 -15.172 75 HD2 LYS 10 2HD LYS 10 16.289 20.215 -12.236 76 HD3 LYS 10 3HD LYS 10 17.803 19.562 -12.867 77 HE2 LYS 10 2HE LYS 10 17.116 22.162 -13.992 78 HE3 LYS 10 3HE LYS 10 17.309 22.197 -12.240 79 HZ1 LYS 10 1HZ LYS 10 19.424 20.724 -13.050 80 HZ2 LYS 10 2HZ LYS 10 19.471 22.377 -12.693 81 HZ3 LYS 10 3HZ LYS 10 19.293 21.863 -14.295 82 H ASP 11 H ASP 11 11.458 21.034 -14.004 83 HA ASP 11 HA ASP 11 11.799 23.278 -12.307 84 HB2 ASP 11 2HB ASP 11 9.192 21.963 -13.093 85 HB3 ASP 11 3HB ASP 11 9.426 23.629 -12.569 86 H ASN 12 H ASN 12 11.673 20.078 -11.541 87 HA ASN 12 HA ASN 12 11.367 18.904 -9.617 88 HB2 ASN 12 2HB ASN 12 12.073 21.618 -8.769 89 HB3 ASN 12 3HB ASN 12 11.164 20.724 -7.555 90 HD21 ASN 12 1HD2 ASN 12 12.040 18.177 -7.939 91 HD22 ASN 12 2HD2 ASN 12 13.725 18.072 -7.575 92 H THR 13 H THR 13 9.344 18.070 -9.978 93 HA THR 13 HA THR 13 7.262 18.940 -8.238 94 HB THR 13 HB THR 13 5.896 18.950 -10.725 95 HG1 THR 13 HG1 THR 13 8.218 19.709 -11.287 96 HG21 THR 13 1HG2 THR 13 4.959 20.092 -8.903 97 HG22 THR 13 2HG2 THR 13 5.478 21.378 -9.994 98 HG23 THR 13 3HG2 THR 13 6.449 20.977 -8.578 99 H CYS 14 H CYS 14 5.566 17.434 -8.068 100 HA CYS 14 HA CYS 14 5.692 15.056 -9.762 101 HB2 CYS 14 2HB CYS 14 6.362 15.169 -6.869 102 HB3 CYS 14 3HB CYS 14 5.380 13.809 -7.406 103 H LYS 15 H LYS 15 3.765 13.952 -9.946 104 HA LYS 15 HA LYS 15 1.465 15.098 -8.504 105 HB2 LYS 15 2HB LYS 15 1.467 15.884 -10.819 106 HB3 LYS 15 3HB LYS 15 1.575 14.227 -11.399 107 HG2 LYS 15 2HG LYS 15 -0.615 13.763 -10.905 108 HG3 LYS 15 3HG LYS 15 -0.704 14.994 -9.643 109 HD2 LYS 15 2HD LYS 15 -0.168 16.069 -12.312 110 HD3 LYS 15 3HD LYS 15 -1.720 15.239 -12.175 111 HE2 LYS 15 2HE LYS 15 -2.542 16.742 -10.651 112 HE3 LYS 15 3HE LYS 15 -0.943 17.161 -10.039 113 HZ1 LYS 15 1HZ LYS 15 -0.685 18.762 -11.571 114 HZ2 LYS 15 2HZ LYS 15 -2.373 18.717 -11.669 115 HZ3 LYS 15 3HZ LYS 15 -1.438 17.879 -12.802 116 H TYR 16 H TYR 16 0.631 13.618 -7.198 117 HA TYR 16 HA TYR 16 0.586 10.812 -8.102 118 HB2 TYR 16 2HB TYR 16 0.907 10.075 -5.870 119 HB3 TYR 16 3HB TYR 16 2.089 11.354 -6.125 120 HD1 TYR 16 HD1 TYR 16 -0.336 10.115 -3.925 121 HD2 TYR 16 HD2 TYR 16 1.236 13.772 -5.429 122 HE1 TYR 16 HE1 TYR 16 -1.191 11.291 -1.942 123 HE2 TYR 16 HE2 TYR 16 0.386 14.958 -3.449 124 HH TYR 16 HH TYR 16 -0.676 13.379 -0.675 125 H LYS 17 H LYS 17 -1.253 9.572 -7.614 126 HA LYS 17 HA LYS 17 -3.641 11.164 -6.942 127 HB2 LYS 17 2HB LYS 17 -3.733 10.449 -9.244 128 HB3 LYS 17 3HB LYS 17 -3.347 8.793 -8.792 129 HG2 LYS 17 2HG LYS 17 -5.464 8.504 -7.742 130 HG3 LYS 17 3HG LYS 17 -5.839 10.222 -7.901 131 HD2 LYS 17 2HD LYS 17 -6.607 9.947 -9.979 132 HD3 LYS 17 3HD LYS 17 -5.183 9.020 -10.456 133 HE2 LYS 17 2HE LYS 17 -6.199 7.040 -9.307 134 HE3 LYS 17 3HE LYS 17 -7.663 7.996 -9.083 135 HZ1 LYS 17 1HZ LYS 17 -8.012 8.103 -11.390 136 HZ2 LYS 17 2HZ LYS 17 -7.609 6.490 -11.081 137 HZ3 LYS 17 3HZ LYS 17 -6.459 7.535 -11.749 138 H ILE 18 H ILE 18 -5.015 10.427 -5.399 139 HA ILE 18 HA ILE 18 -4.411 7.813 -4.182 140 HB ILE 18 HB ILE 18 -5.216 10.291 -2.656 141 HG12 ILE 18 2HG1 ILE 18 -2.934 10.499 -3.544 142 HG13 ILE 18 3HG1 ILE 18 -2.919 10.303 -1.795 143 HG21 ILE 18 1HG2 ILE 18 -4.921 7.446 -1.975 144 HG22 ILE 18 2HG2 ILE 18 -4.181 8.575 -0.842 145 HG23 ILE 18 3HG2 ILE 18 -5.899 8.701 -1.216 146 HD11 ILE 18 1HD1 ILE 18 -1.417 8.707 -2.111 147 HD12 ILE 18 2HD1 ILE 18 -2.725 7.721 -2.765 148 HD13 ILE 18 3HD1 ILE 18 -1.714 8.675 -3.849 149 H ASP 19 H ASP 19 -6.156 6.677 -3.299 150 HA ASP 19 HA ASP 19 -8.543 6.708 -4.658 151 HB2 ASP 19 2HB ASP 19 -7.688 5.592 -2.026 152 HB3 ASP 19 3HB ASP 19 -9.407 5.585 -2.412 153 H GLY 20 H GLY 20 -10.111 8.164 -4.777 154 HA2 GLY 20 2HA GLY 20 -11.927 9.304 -3.648 155 HA3 GLY 20 3HA GLY 20 -10.814 9.665 -2.337 156 H LYS 21 H LYS 21 -8.992 11.128 -2.865 157 HA LYS 21 HA LYS 21 -9.714 13.049 -4.977 158 HB2 LYS 21 2HB LYS 21 -8.980 13.559 -2.108 159 HB3 LYS 21 3HB LYS 21 -8.709 14.786 -3.338 160 HG2 LYS 21 2HG LYS 21 -11.370 13.522 -2.715 161 HG3 LYS 21 3HG LYS 21 -10.825 15.096 -2.131 162 HD2 LYS 21 2HD LYS 21 -11.204 14.303 -5.019 163 HD3 LYS 21 3HD LYS 21 -12.279 15.339 -4.076 164 HE2 LYS 21 2HE LYS 21 -9.426 15.901 -4.871 165 HE3 LYS 21 3HE LYS 21 -10.875 16.727 -5.442 166 HZ1 LYS 21 1HZ LYS 21 -10.265 18.179 -3.844 167 HZ2 LYS 21 2HZ LYS 21 -9.439 17.023 -2.926 168 HZ3 LYS 21 3HZ LYS 21 -11.126 17.121 -2.843 169 H THR 22 H THR 22 -7.995 14.163 -5.965 170 HA THR 22 HA THR 22 -5.416 12.784 -5.717 171 HB THR 22 HB THR 22 -6.487 14.511 -7.957 172 HG1 THR 22 HG1 THR 22 -7.461 12.543 -8.095 173 HG21 THR 22 1HG2 THR 22 -4.487 13.695 -9.196 174 HG22 THR 22 2HG2 THR 22 -3.879 13.012 -7.688 175 HG23 THR 22 3HG2 THR 22 -4.091 14.756 -7.844 176 H TYR 23 H TYR 23 -3.528 13.865 -5.324 177 HA TYR 23 HA TYR 23 -3.674 16.773 -4.930 178 HB2 TYR 23 2HB TYR 23 -2.073 15.123 -3.018 179 HB3 TYR 23 3HB TYR 23 -2.796 16.711 -2.789 180 HD1 TYR 23 HD1 TYR 23 -3.532 13.090 -2.961 181 HD2 TYR 23 HD2 TYR 23 -4.974 16.944 -1.880 182 HE1 TYR 23 HE1 TYR 23 -5.438 12.047 -1.808 183 HE2 TYR 23 HE2 TYR 23 -6.883 15.912 -0.723 184 HH TYR 23 HH TYR 23 -7.143 12.417 -0.363 185 H LEU 24 H LEU 24 -1.409 17.701 -4.617 186 HA LEU 24 HA LEU 24 0.343 16.476 -6.626 187 HB2 LEU 24 2HB LEU 24 -0.508 18.863 -6.837 188 HB3 LEU 24 3HB LEU 24 0.567 19.253 -5.496 189 HG LEU 24 HG LEU 24 2.401 18.211 -7.039 190 HD11 LEU 24 1HD1 LEU 24 0.615 19.234 -9.202 191 HD12 LEU 24 2HD1 LEU 24 0.495 17.554 -8.681 192 HD13 LEU 24 3HD1 LEU 24 2.020 18.174 -9.312 193 HD21 LEU 24 1HD2 LEU 24 2.717 20.451 -8.094 194 HD22 LEU 24 2HD2 LEU 24 2.464 20.498 -6.349 195 HD23 LEU 24 3HD2 LEU 24 1.146 20.920 -7.444 196 H ALA 25 H ALA 25 2.568 16.233 -6.261 197 HA ALA 25 HA ALA 25 3.392 16.375 -3.434 198 HB1 ALA 25 1HB ALA 25 3.740 14.187 -3.413 199 HB2 ALA 25 2HB ALA 25 3.161 14.073 -5.076 200 HB3 ALA 25 3HB ALA 25 4.874 14.347 -4.755 201 H LYS 26 H LYS 26 5.603 16.798 -3.031 202 HA LYS 26 HA LYS 26 6.973 18.108 -5.284 203 HB2 LYS 26 2HB LYS 26 6.494 19.726 -3.612 204 HB3 LYS 26 3HB LYS 26 7.015 18.653 -2.319 205 HG2 LYS 26 2HG LYS 26 8.631 20.436 -2.742 206 HG3 LYS 26 3HG LYS 26 9.317 18.840 -3.052 207 HD2 LYS 26 2HD LYS 26 9.761 19.376 -5.167 208 HD3 LYS 26 3HD LYS 26 8.096 19.898 -5.437 209 HE2 LYS 26 2HE LYS 26 9.332 21.823 -5.848 210 HE3 LYS 26 3HE LYS 26 8.796 22.037 -4.182 211 HZ1 LYS 26 1HZ LYS 26 11.483 21.298 -5.165 212 HZ2 LYS 26 2HZ LYS 26 11.020 21.002 -3.565 213 HZ3 LYS 26 3HZ LYS 26 11.045 22.586 -4.159 214 H CYS 27 H CYS 27 9.102 17.660 -5.718 215 HA CYS 27 HA CYS 27 10.249 15.374 -4.257 216 HB2 CYS 27 2HB CYS 27 10.152 16.090 -7.136 217 HB3 CYS 27 3HB CYS 27 11.646 15.360 -6.557 218 HA PRO 28 HA PRO 28 13.806 17.671 -3.116 219 HB2 PRO 28 2HB PRO 28 15.830 15.910 -3.537 220 HB3 PRO 28 3HB PRO 28 14.665 15.738 -2.219 221 HG2 PRO 28 2HG PRO 28 14.727 14.373 -4.882 222 HG3 PRO 28 3HG PRO 28 14.378 13.691 -3.283 223 HD2 PRO 28 2HD PRO 28 12.429 14.330 -5.050 224 HD3 PRO 28 3HD PRO 28 12.202 14.451 -3.294 225 H SER 29 H SER 29 15.578 18.864 -3.880 226 HA SER 29 HA SER 29 15.614 19.224 -6.755 227 HB2 SER 29 2HB SER 29 17.553 20.849 -5.376 228 HB3 SER 29 3HB SER 29 16.094 21.349 -6.232 229 HG SER 29 HG SER 29 15.534 21.908 -4.263 230 H ALA 30 H ALA 30 17.164 17.195 -4.706 231 HA ALA 30 HA ALA 30 19.866 17.331 -5.305 232 HB1 ALA 30 1HB ALA 30 19.079 14.587 -5.214 233 HB2 ALA 30 2HB ALA 30 19.900 15.549 -3.985 234 HB3 ALA 30 3HB ALA 30 18.138 15.501 -4.035 235 H ALA 31 H ALA 31 21.035 17.020 -7.084 236 HA ALA 31 HA ALA 31 19.931 16.673 -9.613 237 HB1 ALA 31 1HB ALA 31 22.059 17.668 -9.484 238 HB2 ALA 31 2HB ALA 31 22.734 16.301 -8.595 239 HB3 ALA 31 3HB ALA 31 22.313 16.124 -10.299 240 H ASN 32 H ASN 32 20.806 14.327 -7.231 241 HA ASN 32 HA ASN 32 20.897 12.114 -9.084 242 HB2 ASN 32 2HB ASN 32 21.073 12.357 -6.090 243 HB3 ASN 32 3HB ASN 32 20.908 10.785 -6.865 244 HD21 ASN 32 1HD2 ASN 32 22.913 13.657 -6.650 245 HD22 ASN 32 2HD2 ASN 32 24.383 12.895 -7.144 246 H THR 33 H THR 33 18.528 13.759 -7.207 247 HA THR 33 HA THR 33 16.567 11.643 -7.817 248 HB THR 33 HB THR 33 15.218 12.738 -5.921 249 HG1 THR 33 HG1 THR 33 16.835 14.546 -5.847 250 HG21 THR 33 1HG2 THR 33 17.539 11.564 -4.590 251 HG22 THR 33 2HG2 THR 33 16.974 10.624 -5.971 252 HG23 THR 33 3HG2 THR 33 15.868 11.006 -4.652 253 H LYS 34 H LYS 34 17.531 14.153 -9.286 254 HA LYS 34 HA LYS 34 15.074 15.717 -9.406 255 HB2 LYS 34 2HB LYS 34 17.858 16.056 -10.433 256 HB3 LYS 34 3HB LYS 34 16.554 16.908 -11.249 257 HG2 LYS 34 2HG LYS 34 16.165 17.349 -8.509 258 HG3 LYS 34 3HG LYS 34 17.894 17.551 -8.802 259 HD2 LYS 34 2HD LYS 34 16.184 18.799 -10.826 260 HD3 LYS 34 3HD LYS 34 15.990 19.471 -9.205 261 HE2 LYS 34 2HE LYS 34 17.725 20.608 -10.594 262 HE3 LYS 34 3HE LYS 34 18.320 19.976 -9.060 263 HZ1 LYS 34 1HZ LYS 34 19.674 18.546 -10.090 264 HZ2 LYS 34 2HZ LYS 34 19.468 19.532 -11.449 265 HZ3 LYS 34 3HZ LYS 34 18.534 18.133 -11.270 266 H CYS 35 H CYS 35 14.506 16.418 -11.778 267 HA CYS 35 HA CYS 35 14.391 13.981 -13.432 268 HB2 CYS 35 2HB CYS 35 12.254 16.066 -12.964 269 HB3 CYS 35 3HB CYS 35 12.162 14.843 -14.226 270 H GLU 36 H GLU 36 15.063 14.161 -15.478 271 HA GLU 36 HA GLU 36 15.991 16.761 -16.396 272 HB2 GLU 36 2HB GLU 36 17.313 15.619 -17.949 273 HB3 GLU 36 3HB GLU 36 17.315 14.558 -16.547 274 HG2 GLU 36 2HG GLU 36 15.306 13.420 -17.741 275 HG3 GLU 36 3HG GLU 36 15.950 14.217 -19.176 276 H LYS 37 H LYS 37 13.402 14.552 -16.943 277 HA LYS 37 HA LYS 37 12.295 16.372 -18.948 278 HB2 LYS 37 2HB LYS 37 13.478 14.161 -19.856 279 HB3 LYS 37 3HB LYS 37 11.921 13.458 -19.438 280 HG2 LYS 37 2HG LYS 37 10.788 15.027 -20.894 281 HG3 LYS 37 3HG LYS 37 12.322 15.816 -21.269 282 HD2 LYS 37 2HD LYS 37 13.056 13.437 -22.023 283 HD3 LYS 37 3HD LYS 37 11.321 13.121 -22.101 284 HE2 LYS 37 2HE LYS 37 12.163 15.629 -23.366 285 HE3 LYS 37 3HE LYS 37 12.816 14.177 -24.122 286 HZ1 LYS 37 1HZ LYS 37 10.444 13.336 -24.098 287 HZ2 LYS 37 2HZ LYS 37 10.792 14.579 -25.191 288 HZ3 LYS 37 3HZ LYS 37 9.978 14.924 -23.748 289 H ASP 38 H ASP 38 10.268 16.890 -18.463 290 HA ASP 38 HA ASP 38 8.922 15.946 -16.216 291 HB2 ASP 38 2HB ASP 38 7.157 17.340 -16.836 292 HB3 ASP 38 3HB ASP 38 8.540 18.093 -17.624 293 H GLY 39 H GLY 39 7.142 14.575 -15.934 294 HA2 GLY 39 2HA GLY 39 5.514 13.017 -16.683 295 HA3 GLY 39 3HA GLY 39 6.385 12.878 -18.203 296 H ASN 40 H ASN 40 8.819 12.757 -16.148 297 HA ASN 40 HA ASN 40 9.348 10.044 -16.444 298 HB2 ASN 40 2HB ASN 40 10.658 12.270 -15.337 299 HB3 ASN 40 3HB ASN 40 10.592 11.072 -14.048 300 HD21 ASN 40 1HD2 ASN 40 11.765 11.787 -17.243 301 HD22 ASN 40 2HD2 ASN 40 12.928 10.512 -17.319 302 H LYS 41 H LYS 41 9.938 8.732 -14.281 303 HA LYS 41 HA LYS 41 7.381 8.126 -13.100 304 HB2 LYS 41 2HB LYS 41 9.857 6.761 -13.522 305 HB3 LYS 41 3HB LYS 41 9.463 6.683 -11.810 306 HG2 LYS 41 2HG LYS 41 7.321 6.059 -13.771 307 HG3 LYS 41 3HG LYS 41 8.602 4.871 -13.518 308 HD2 LYS 41 2HD LYS 41 7.632 4.200 -11.634 309 HD3 LYS 41 3HD LYS 41 7.736 5.835 -10.978 310 HE2 LYS 41 2HE LYS 41 5.426 4.935 -11.027 311 HE3 LYS 41 3HE LYS 41 5.620 6.419 -11.957 312 HZ1 LYS 41 1HZ LYS 41 4.393 4.292 -12.912 313 HZ2 LYS 41 2HZ LYS 41 5.967 3.908 -13.396 314 HZ3 LYS 41 3HZ LYS 41 5.256 5.357 -13.903 315 H CYS 42 H CYS 42 6.904 8.114 -10.865 316 HA CYS 42 HA CYS 42 8.718 9.486 -9.054 317 HB2 CYS 42 2HB CYS 42 7.291 11.231 -10.244 318 HB3 CYS 42 3HB CYS 42 5.911 10.538 -9.398 319 H THR 43 H THR 43 8.039 9.354 -6.816 320 HA THR 43 HA THR 43 5.929 7.388 -6.276 321 HB THR 43 HB THR 43 8.155 6.985 -4.476 322 HG1 THR 43 HG1 THR 43 8.635 6.631 -7.263 323 HG21 THR 43 1HG2 THR 43 6.322 5.394 -6.177 324 HG22 THR 43 2HG2 THR 43 6.731 5.210 -4.471 325 HG23 THR 43 3HG2 THR 43 7.843 4.633 -5.713 326 H TYR 44 H TYR 44 4.857 7.660 -4.353 327 HA TYR 44 HA TYR 44 5.794 9.785 -2.557 328 HB2 TYR 44 2HB TYR 44 4.203 11.013 -3.718 329 HB3 TYR 44 3HB TYR 44 3.165 9.617 -3.982 330 HD1 TYR 44 HD1 TYR 44 4.108 12.266 -1.638 331 HD2 TYR 44 HD2 TYR 44 1.598 8.890 -2.271 332 HE1 TYR 44 HE1 TYR 44 2.724 12.943 0.280 333 HE2 TYR 44 HE2 TYR 44 0.206 9.558 -0.357 334 HH TYR 44 HH TYR 44 1.152 12.115 1.799 335 H ASP 45 H ASP 45 5.693 9.251 -0.471 336 HA ASP 45 HA ASP 45 4.383 6.736 0.247 337 HB2 ASP 45 2HB ASP 45 6.824 7.258 0.817 338 HB3 ASP 45 3HB ASP 45 6.186 8.376 2.020 339 H SER 46 H SER 46 2.518 6.699 1.304 340 HA SER 46 HA SER 46 1.321 9.170 2.202 341 HB2 SER 46 2HB SER 46 -0.650 8.099 1.941 342 HB3 SER 46 3HB SER 46 0.302 6.855 1.130 343 HG SER 46 HG SER 46 -1.170 6.343 3.066 344 H TYR 47 H TYR 47 3.246 6.768 3.575 345 HA TYR 47 HA TYR 47 2.157 6.891 6.239 346 HB2 TYR 47 2HB TYR 47 3.364 4.894 5.289 347 HB3 TYR 47 3HB TYR 47 4.854 5.825 5.389 348 HD1 TYR 47 HD1 TYR 47 5.857 6.343 7.550 349 HD2 TYR 47 HD2 TYR 47 2.292 4.036 7.284 350 HE1 TYR 47 HE1 TYR 47 6.155 5.624 9.883 351 HE2 TYR 47 HE2 TYR 47 2.579 3.312 9.617 352 HH TYR 47 HH TYR 47 5.482 3.879 11.373 353 H ASN 48 H ASN 48 4.978 8.218 4.555 354 HA ASN 48 HA ASN 48 5.485 9.945 6.884 355 HB2 ASN 48 2HB ASN 48 7.645 10.171 5.103 356 HB3 ASN 48 3HB ASN 48 7.618 9.310 6.639 357 HD21 ASN 48 1HD2 ASN 48 8.148 9.034 3.382 358 HD22 ASN 48 2HD2 ASN 48 8.038 7.316 3.230 359 H ARG 49 H ARG 49 3.934 10.010 4.022 360 HA ARG 49 HA ARG 49 3.270 11.624 2.559 361 HB2 ARG 49 2HB ARG 49 4.002 13.479 4.832 362 HB3 ARG 49 3HB ARG 49 2.933 13.855 3.487 363 HG2 ARG 49 2HG ARG 49 1.593 11.788 4.357 364 HG3 ARG 49 3HG ARG 49 2.458 12.119 5.859 365 HD2 ARG 49 2HD ARG 49 1.564 14.330 5.971 366 HD3 ARG 49 3HD ARG 49 0.888 14.197 4.348 367 HE ARG 49 HE ARG 49 -0.308 12.180 5.726 368 HH11 ARG 49 1HH1 ARG 49 0.013 15.611 6.218 369 HH12 ARG 49 2HH1 ARG 49 -1.498 15.765 7.052 370 HH21 ARG 49 1HH2 ARG 49 -2.299 12.369 6.822 371 HH22 ARG 49 2HH2 ARG 49 -2.812 13.920 7.396 372 H LYS 50 H LYS 50 6.092 10.826 2.555 373 HA LYS 50 HA LYS 50 7.326 13.291 1.520 374 HB2 LYS 50 2HB LYS 50 8.777 12.547 3.169 375 HB3 LYS 50 3HB LYS 50 8.450 10.851 2.837 376 HG2 LYS 50 2HG LYS 50 9.941 10.760 1.098 377 HG3 LYS 50 3HG LYS 50 9.820 12.488 0.761 378 HD2 LYS 50 2HD LYS 50 11.907 12.360 1.729 379 HD3 LYS 50 3HD LYS 50 10.898 12.730 3.130 380 HE2 LYS 50 2HE LYS 50 11.888 10.952 4.066 381 HE3 LYS 50 3HE LYS 50 10.793 10.004 3.062 382 HZ1 LYS 50 1HZ LYS 50 12.587 9.115 2.144 383 HZ2 LYS 50 2HZ LYS 50 13.621 10.192 2.938 384 HZ3 LYS 50 3HZ LYS 50 12.939 10.618 1.450 385 H VAL 51 H VAL 51 8.199 13.334 -0.522 386 HA VAL 51 HA VAL 51 7.365 11.152 -2.288 387 HB VAL 51 HB VAL 51 8.465 13.806 -3.182 388 HG11 VAL 51 1HG1 VAL 51 7.237 13.340 -5.211 389 HG12 VAL 51 2HG1 VAL 51 8.286 11.974 -4.829 390 HG13 VAL 51 3HG1 VAL 51 6.556 11.878 -4.499 391 HG21 VAL 51 1HG2 VAL 51 6.193 14.659 -3.297 392 HG22 VAL 51 2HG2 VAL 51 5.575 13.160 -2.603 393 HG23 VAL 51 3HG2 VAL 51 6.599 14.222 -1.637 394 H LYS 52 H LYS 52 8.779 9.774 -3.135 395 HA LYS 52 HA LYS 52 11.642 10.463 -3.016 396 HB2 LYS 52 2HB LYS 52 11.134 8.639 -1.507 397 HB3 LYS 52 3HB LYS 52 10.296 7.767 -2.784 398 HG2 LYS 52 2HG LYS 52 12.501 6.830 -2.369 399 HG3 LYS 52 3HG LYS 52 12.389 7.502 -3.997 400 HD2 LYS 52 2HD LYS 52 13.590 9.477 -3.317 401 HD3 LYS 52 3HD LYS 52 13.582 8.947 -1.633 402 HE2 LYS 52 2HE LYS 52 15.743 8.562 -2.804 403 HE3 LYS 52 3HE LYS 52 15.017 7.098 -2.144 404 HZ1 LYS 52 1HZ LYS 52 14.265 6.471 -4.302 405 HZ2 LYS 52 2HZ LYS 52 15.910 6.845 -4.424 406 HZ3 LYS 52 3HZ LYS 52 14.750 7.945 -4.975 407 H CYS 53 H CYS 53 12.499 10.841 -4.940 408 HA CYS 53 HA CYS 53 11.458 9.352 -7.262 409 HB2 CYS 53 2HB CYS 53 12.696 12.103 -7.378 410 HB3 CYS 53 3HB CYS 53 11.824 11.258 -8.654 411 H ASP 54 H ASP 54 12.913 8.470 -8.679 412 HA ASP 54 HA ASP 54 15.768 8.912 -8.191 413 HB2 ASP 54 2HB ASP 54 15.858 6.273 -8.640 414 HB3 ASP 54 3HB ASP 54 15.726 6.953 -7.021 415 H PHE 55 H PHE 55 17.110 8.529 -9.971 416 HA PHE 55 HA PHE 55 15.693 8.111 -12.521 417 HB2 PHE 55 2HB PHE 55 17.377 10.300 -11.643 418 HB3 PHE 55 3HB PHE 55 18.029 9.543 -13.092 419 HD1 PHE 55 HD1 PHE 55 14.518 10.127 -11.994 420 HD2 PHE 55 HD2 PHE 55 17.553 10.928 -14.869 421 HE1 PHE 55 HE1 PHE 55 12.889 11.361 -13.365 422 HE2 PHE 55 HE2 PHE 55 15.929 12.164 -16.244 423 HZ PHE 55 HZ PHE 55 13.594 12.382 -15.492 424 H ARG 56 H ARG 56 17.207 7.419 -14.312 425 HA ARG 56 HA ARG 56 19.474 5.828 -13.383 426 HB2 ARG 56 2HB ARG 56 16.987 4.740 -14.657 427 HB3 ARG 56 3HB ARG 56 18.533 3.948 -14.931 428 HG2 ARG 56 2HG ARG 56 18.286 2.856 -13.026 429 HG3 ARG 56 3HG ARG 56 18.320 4.391 -12.156 430 HD2 ARG 56 2HD ARG 56 15.978 4.588 -12.198 431 HD3 ARG 56 3HD ARG 56 15.815 3.347 -13.439 432 HE ARG 56 HE ARG 56 15.828 1.763 -11.794 433 HH11 ARG 56 1HH1 ARG 56 17.114 4.732 -10.509 434 HH12 ARG 56 2HH1 ARG 56 17.194 4.145 -8.881 435 HH21 ARG 56 1HH2 ARG 56 15.929 0.979 -9.654 436 HH22 ARG 56 2HH2 ARG 56 16.521 2.010 -8.396 437 H HIS 57 H HIS 57 21.008 5.376 -14.977 438 HA HIS 57 HA HIS 57 22.231 5.738 -16.861 439 HB2 HIS 57 2HB HIS 57 19.937 4.783 -17.799 440 HB3 HIS 57 3HB HIS 57 19.807 6.408 -18.466 441 HD1 HIS 57 HD1 HIS 57 20.624 6.487 -20.785 442 HD2 HIS 57 HD2 HIS 57 22.753 3.742 -18.505 443 HE1 HIS 57 HE1 HIS 57 22.327 5.492 -22.346 Start of MODEL 3 1 H1 LEU 1 H LEU 1 1.624 -1.956 -0.830 2 HA LEU 1 HA LEU 1 3.073 -1.327 -2.464 3 HB2 LEU 1 2HB LEU 1 0.629 -1.217 -4.223 4 HB3 LEU 1 3HB LEU 1 2.305 -1.320 -4.757 5 HG LEU 1 HG LEU 1 1.481 -3.520 -3.010 6 HD11 LEU 1 1HD1 LEU 1 0.220 -3.253 -5.735 7 HD12 LEU 1 2HD1 LEU 1 -0.634 -3.134 -4.197 8 HD13 LEU 1 3HD1 LEU 1 0.126 -4.654 -4.668 9 HD21 LEU 1 1HD2 LEU 1 3.008 -3.101 -5.539 10 HD22 LEU 1 2HD2 LEU 1 2.443 -4.719 -5.124 11 HD23 LEU 1 3HD2 LEU 1 3.518 -3.851 -4.027 12 H GLU 2 H GLU 2 4.007 0.552 -3.127 13 HA GLU 2 HA GLU 2 3.091 2.984 -2.174 14 HB2 GLU 2 2HB GLU 2 5.221 2.096 -3.998 15 HB3 GLU 2 3HB GLU 2 4.694 3.755 -4.248 16 HG2 GLU 2 2HG GLU 2 6.241 4.199 -2.689 17 HG3 GLU 2 3HG GLU 2 4.950 3.752 -1.575 18 H TYR 3 H TYR 3 2.589 4.954 -3.481 19 HA TYR 3 HA TYR 3 0.383 4.354 -5.263 20 HB2 TYR 3 2HB TYR 3 1.389 6.853 -3.929 21 HB3 TYR 3 3HB TYR 3 0.191 6.937 -5.215 22 HD1 TYR 3 HD1 TYR 3 0.622 6.758 -1.757 23 HD2 TYR 3 HD2 TYR 3 -1.861 5.262 -4.871 24 HE1 TYR 3 HE1 TYR 3 -1.158 6.317 -0.118 25 HE2 TYR 3 HE2 TYR 3 -3.648 4.818 -3.241 26 HH TYR 3 HH TYR 3 -3.223 4.604 -0.061 27 H LYS 4 H LYS 4 0.218 4.953 -7.399 28 HA LYS 4 HA LYS 4 2.725 5.258 -8.807 29 HB2 LYS 4 2HB LYS 4 -0.108 4.706 -9.592 30 HB3 LYS 4 3HB LYS 4 1.016 5.289 -10.812 31 HG2 LYS 4 2HG LYS 4 1.396 2.823 -9.125 32 HG3 LYS 4 3HG LYS 4 0.846 2.851 -10.803 33 HD2 LYS 4 2HD LYS 4 3.077 4.235 -11.132 34 HD3 LYS 4 3HD LYS 4 3.552 3.362 -9.673 35 HE2 LYS 4 2HE LYS 4 2.417 1.981 -12.092 36 HE3 LYS 4 3HE LYS 4 4.143 2.288 -11.901 37 HZ1 LYS 4 1HZ LYS 4 4.221 0.928 -9.991 38 HZ2 LYS 4 2HZ LYS 4 3.351 0.052 -11.146 39 HZ3 LYS 4 3HZ LYS 4 2.535 0.828 -9.884 40 H GLY 5 H GLY 5 3.593 7.222 -8.982 41 HA2 GLY 5 2HA GLY 5 1.822 9.436 -9.792 42 HA3 GLY 5 3HA GLY 5 2.993 9.661 -8.501 43 H GLU 6 H GLU 6 2.868 11.179 -10.904 44 HA GLU 6 HA GLU 6 5.317 10.305 -12.285 45 HB2 GLU 6 2HB GLU 6 3.397 12.371 -13.331 46 HB3 GLU 6 3HB GLU 6 4.602 11.449 -14.219 47 HG2 GLU 6 2HG GLU 6 2.794 10.277 -14.861 48 HG3 GLU 6 3HG GLU 6 3.089 9.432 -13.343 49 H CYS 7 H CYS 7 6.662 12.165 -13.133 50 HA CYS 7 HA CYS 7 6.772 14.322 -11.127 51 HB2 CYS 7 2HB CYS 7 8.994 14.011 -10.802 52 HB3 CYS 7 3HB CYS 7 8.646 12.383 -11.377 53 H PHE 8 H PHE 8 8.131 16.221 -11.956 54 HA PHE 8 HA PHE 8 7.359 16.763 -14.747 55 HB2 PHE 8 2HB PHE 8 7.417 18.516 -12.310 56 HB3 PHE 8 3HB PHE 8 7.545 19.224 -13.917 57 HD1 PHE 8 HD1 PHE 8 5.581 20.123 -14.662 58 HD2 PHE 8 HD2 PHE 8 5.457 16.558 -12.340 59 HE1 PHE 8 HE1 PHE 8 3.131 20.070 -14.881 60 HE2 PHE 8 HE2 PHE 8 3.007 16.499 -12.556 61 HZ PHE 8 HZ PHE 8 1.841 18.256 -13.828 62 H THR 9 H THR 9 8.741 18.656 -15.663 63 HA THR 9 HA THR 9 11.307 17.773 -16.115 64 HB THR 9 HB THR 9 11.336 20.634 -16.268 65 HG1 THR 9 HG1 THR 9 9.443 20.938 -17.492 66 HG21 THR 9 1HG2 THR 9 12.098 18.483 -17.796 67 HG22 THR 9 2HG2 THR 9 12.143 20.169 -18.310 68 HG23 THR 9 3HG2 THR 9 10.759 19.157 -18.723 69 H LYS 10 H LYS 10 13.215 19.559 -15.700 70 HA LYS 10 HA LYS 10 14.116 19.104 -13.120 71 HB2 LYS 10 2HB LYS 10 15.034 20.492 -15.430 72 HB3 LYS 10 3HB LYS 10 15.248 21.556 -14.046 73 HG2 LYS 10 2HG LYS 10 16.146 18.728 -13.827 74 HG3 LYS 10 3HG LYS 10 17.118 19.866 -14.762 75 HD2 LYS 10 2HD LYS 10 16.444 21.189 -12.378 76 HD3 LYS 10 3HD LYS 10 16.918 19.554 -11.913 77 HE2 LYS 10 2HE LYS 10 18.570 21.189 -13.810 78 HE3 LYS 10 3HE LYS 10 18.747 21.349 -12.064 79 HZ1 LYS 10 1HZ LYS 10 20.136 19.641 -12.190 80 HZ2 LYS 10 2HZ LYS 10 19.720 19.306 -13.795 81 HZ3 LYS 10 3HZ LYS 10 18.807 18.652 -12.531 82 H ASP 11 H ASP 11 11.562 21.001 -13.959 83 HA ASP 11 HA ASP 11 11.897 23.257 -12.277 84 HB2 ASP 11 2HB ASP 11 9.652 22.005 -13.761 85 HB3 ASP 11 3HB ASP 11 9.221 23.064 -12.421 86 H ASN 12 H ASN 12 11.655 20.068 -11.483 87 HA ASN 12 HA ASN 12 11.263 18.931 -9.554 88 HB2 ASN 12 2HB ASN 12 11.921 21.666 -8.696 89 HB3 ASN 12 3HB ASN 12 11.007 20.738 -7.511 90 HD21 ASN 12 1HD2 ASN 12 11.945 18.220 -7.881 91 HD22 ASN 12 2HD2 ASN 12 13.626 18.149 -7.487 92 H THR 13 H THR 13 9.253 18.103 -9.966 93 HA THR 13 HA THR 13 7.104 19.039 -8.346 94 HB THR 13 HB THR 13 5.975 18.982 -11.004 95 HG1 THR 13 HG1 THR 13 6.985 21.241 -11.347 96 HG21 THR 13 1HG2 THR 13 6.033 20.906 -8.696 97 HG22 THR 13 2HG2 THR 13 4.694 19.913 -9.273 98 HG23 THR 13 3HG2 THR 13 5.228 21.306 -10.212 99 H CYS 14 H CYS 14 5.441 17.528 -8.150 100 HA CYS 14 HA CYS 14 5.554 15.131 -9.813 101 HB2 CYS 14 2HB CYS 14 6.197 15.260 -6.906 102 HB3 CYS 14 3HB CYS 14 5.270 13.878 -7.480 103 H LYS 15 H LYS 15 3.620 14.040 -9.984 104 HA LYS 15 HA LYS 15 1.334 15.200 -8.532 105 HB2 LYS 15 2HB LYS 15 1.377 15.957 -10.881 106 HB3 LYS 15 3HB LYS 15 1.373 14.280 -11.413 107 HG2 LYS 15 2HG LYS 15 -0.840 14.700 -11.601 108 HG3 LYS 15 3HG LYS 15 -0.815 14.218 -9.904 109 HD2 LYS 15 2HD LYS 15 -0.261 16.875 -9.718 110 HD3 LYS 15 3HD LYS 15 -1.334 16.841 -11.118 111 HE2 LYS 15 2HE LYS 15 -2.228 15.190 -8.869 112 HE3 LYS 15 3HE LYS 15 -2.145 16.914 -8.512 113 HZ1 LYS 15 1HZ LYS 15 -3.340 16.870 -10.929 114 HZ2 LYS 15 2HZ LYS 15 -4.154 16.980 -9.450 115 HZ3 LYS 15 3HZ LYS 15 -3.976 15.478 -10.208 116 H TYR 16 H TYR 16 0.575 13.715 -7.181 117 HA TYR 16 HA TYR 16 0.493 10.911 -8.085 118 HB2 TYR 16 2HB TYR 16 0.827 10.185 -5.852 119 HB3 TYR 16 3HB TYR 16 2.005 11.466 -6.117 120 HD1 TYR 16 HD1 TYR 16 1.153 13.884 -5.425 121 HD2 TYR 16 HD2 TYR 16 -0.410 10.231 -3.904 122 HE1 TYR 16 HE1 TYR 16 0.307 15.076 -3.447 123 HE2 TYR 16 HE2 TYR 16 -1.262 11.413 -1.923 124 HH TYR 16 HH TYR 16 -0.641 14.869 -1.438 125 H LYS 17 H LYS 17 -1.344 9.675 -7.586 126 HA LYS 17 HA LYS 17 -3.729 11.269 -6.906 127 HB2 LYS 17 2HB LYS 17 -3.880 10.569 -9.191 128 HB3 LYS 17 3HB LYS 17 -3.411 8.924 -8.780 129 HG2 LYS 17 2HG LYS 17 -5.504 8.630 -7.556 130 HG3 LYS 17 3HG LYS 17 -5.974 10.281 -7.968 131 HD2 LYS 17 2HD LYS 17 -5.355 8.152 -10.011 132 HD3 LYS 17 3HD LYS 17 -6.981 8.504 -9.421 133 HE2 LYS 17 2HE LYS 17 -5.844 10.972 -10.147 134 HE3 LYS 17 3HE LYS 17 -5.451 9.844 -11.444 135 HZ1 LYS 17 1HZ LYS 17 -7.828 11.155 -11.091 136 HZ2 LYS 17 2HZ LYS 17 -8.158 9.573 -10.593 137 HZ3 LYS 17 3HZ LYS 17 -7.544 9.861 -12.143 138 H ILE 18 H ILE 18 -5.098 10.535 -5.357 139 HA ILE 18 HA ILE 18 -4.489 7.924 -4.137 140 HB ILE 18 HB ILE 18 -5.280 10.407 -2.611 141 HG12 ILE 18 2HG1 ILE 18 -3.004 10.615 -3.503 142 HG13 ILE 18 3HG1 ILE 18 -2.975 10.402 -1.756 143 HG21 ILE 18 1HG2 ILE 18 -4.470 8.913 -0.682 144 HG22 ILE 18 2HG2 ILE 18 -6.053 8.586 -1.384 145 HG23 ILE 18 3HG2 ILE 18 -4.671 7.582 -1.821 146 HD11 ILE 18 1HD1 ILE 18 -1.792 8.791 -3.837 147 HD12 ILE 18 2HD1 ILE 18 -1.484 8.801 -2.100 148 HD13 ILE 18 3HD1 ILE 18 -2.800 7.828 -2.757 149 H ASP 19 H ASP 19 -6.231 6.792 -3.241 150 HA ASP 19 HA ASP 19 -8.626 6.826 -4.586 151 HB2 ASP 19 2HB ASP 19 -8.023 5.853 -1.790 152 HB3 ASP 19 3HB ASP 19 -9.539 5.529 -2.626 153 H GLY 20 H GLY 20 -10.195 8.282 -4.696 154 HA2 GLY 20 2HA GLY 20 -12.001 9.424 -3.553 155 HA3 GLY 20 3HA GLY 20 -10.876 9.790 -2.254 156 H LYS 21 H LYS 21 -9.061 11.253 -2.799 157 HA LYS 21 HA LYS 21 -9.800 13.166 -4.913 158 HB2 LYS 21 2HB LYS 21 -9.046 13.686 -2.051 159 HB3 LYS 21 3HB LYS 21 -8.782 14.909 -3.287 160 HG2 LYS 21 2HG LYS 21 -11.440 13.647 -2.642 161 HG3 LYS 21 3HG LYS 21 -10.891 15.223 -2.067 162 HD2 LYS 21 2HD LYS 21 -11.288 14.421 -4.950 163 HD3 LYS 21 3HD LYS 21 -12.357 15.460 -4.004 164 HE2 LYS 21 2HE LYS 21 -10.136 16.832 -3.639 165 HE3 LYS 21 3HE LYS 21 -9.655 16.021 -5.129 166 HZ1 LYS 21 1HZ LYS 21 -11.521 18.165 -4.737 167 HZ2 LYS 21 2HZ LYS 21 -12.161 16.909 -5.671 168 HZ3 LYS 21 3HZ LYS 21 -10.727 17.670 -6.146 169 H THR 22 H THR 22 -8.090 14.276 -5.919 170 HA THR 22 HA THR 22 -5.508 12.899 -5.685 171 HB THR 22 HB THR 22 -6.597 14.619 -7.922 172 HG1 THR 22 HG1 THR 22 -7.486 12.759 -8.415 173 HG21 THR 22 1HG2 THR 22 -3.974 13.156 -7.632 174 HG22 THR 22 2HG2 THR 22 -4.218 14.886 -7.870 175 HG23 THR 22 3HG2 THR 22 -4.599 13.756 -9.168 176 H TYR 23 H TYR 23 -3.616 13.982 -5.313 177 HA TYR 23 HA TYR 23 -3.760 16.890 -4.923 178 HB2 TYR 23 2HB TYR 23 -2.142 15.246 -3.021 179 HB3 TYR 23 3HB TYR 23 -2.866 16.834 -2.789 180 HD1 TYR 23 HD1 TYR 23 -5.040 17.067 -1.868 181 HD2 TYR 23 HD2 TYR 23 -3.594 13.211 -2.939 182 HE1 TYR 23 HE1 TYR 23 -6.939 16.035 -0.695 183 HE2 TYR 23 HE2 TYR 23 -5.490 12.169 -1.770 184 HH TYR 23 HH TYR 23 -7.113 12.621 -0.128 185 H LEU 24 H LEU 24 -1.493 17.820 -4.632 186 HA LEU 24 HA LEU 24 0.247 16.583 -6.645 187 HB2 LEU 24 2HB LEU 24 -0.442 19.323 -5.915 188 HB3 LEU 24 3HB LEU 24 1.290 19.070 -6.120 189 HG LEU 24 HG LEU 24 -0.620 18.175 -8.243 190 HD11 LEU 24 1HD1 LEU 24 -0.178 20.420 -9.320 191 HD12 LEU 24 2HD1 LEU 24 0.336 20.978 -7.729 192 HD13 LEU 24 3HD1 LEU 24 -1.316 20.411 -7.973 193 HD21 LEU 24 1HD2 LEU 24 2.283 18.744 -7.976 194 HD22 LEU 24 2HD2 LEU 24 1.516 19.053 -9.534 195 HD23 LEU 24 3HD2 LEU 24 1.457 17.438 -8.827 196 H ALA 25 H ALA 25 2.483 16.374 -6.294 197 HA ALA 25 HA ALA 25 3.332 16.571 -3.479 198 HB1 ALA 25 1HB ALA 25 3.054 14.222 -5.035 199 HB2 ALA 25 2HB ALA 25 4.778 14.492 -4.772 200 HB3 ALA 25 3HB ALA 25 3.681 14.384 -3.395 201 H LYS 26 H LYS 26 5.537 17.016 -3.111 202 HA LYS 26 HA LYS 26 6.905 18.214 -5.427 203 HB2 LYS 26 2HB LYS 26 6.167 19.496 -3.178 204 HB3 LYS 26 3HB LYS 26 7.754 18.927 -2.677 205 HG2 LYS 26 2HG LYS 26 7.367 20.395 -5.260 206 HG3 LYS 26 3HG LYS 26 7.581 21.250 -3.730 207 HD2 LYS 26 2HD LYS 26 9.583 19.287 -3.800 208 HD3 LYS 26 3HD LYS 26 9.550 20.001 -5.415 209 HE2 LYS 26 2HE LYS 26 9.793 22.219 -4.468 210 HE3 LYS 26 3HE LYS 26 9.723 21.557 -2.836 211 HZ1 LYS 26 1HZ LYS 26 11.746 20.301 -4.404 212 HZ2 LYS 26 2HZ LYS 26 11.873 21.065 -2.900 213 HZ3 LYS 26 3HZ LYS 26 11.981 21.975 -4.322 214 H CYS 27 H CYS 27 9.049 17.767 -5.815 215 HA CYS 27 HA CYS 27 10.182 15.542 -4.252 216 HB2 CYS 27 2HB CYS 27 10.036 16.097 -7.141 217 HB3 CYS 27 3HB CYS 27 11.609 15.542 -6.580 218 HA PRO 28 HA PRO 28 13.712 17.895 -3.139 219 HB2 PRO 28 2HB PRO 28 15.743 16.120 -3.446 220 HB3 PRO 28 3HB PRO 28 14.554 16.003 -2.144 221 HG2 PRO 28 2HG PRO 28 14.667 14.526 -4.746 222 HG3 PRO 28 3HG PRO 28 14.289 13.911 -3.127 223 HD2 PRO 28 2HD PRO 28 12.373 14.473 -4.956 224 HD3 PRO 28 3HD PRO 28 12.113 14.668 -3.210 225 H SER 29 H SER 29 15.491 19.061 -3.920 226 HA SER 29 HA SER 29 15.572 19.321 -6.800 227 HB2 SER 29 2HB SER 29 17.532 20.969 -5.533 228 HB3 SER 29 3HB SER 29 16.017 21.456 -6.293 229 HG SER 29 HG SER 29 16.125 22.065 -4.083 230 H ALA 30 H ALA 30 17.081 17.336 -4.671 231 HA ALA 30 HA ALA 30 19.785 17.405 -5.266 232 HB1 ALA 30 1HB ALA 30 19.745 15.712 -3.836 233 HB2 ALA 30 2HB ALA 30 17.991 15.608 -3.989 234 HB3 ALA 30 3HB ALA 30 19.027 14.683 -5.075 235 H ALA 31 H ALA 31 20.946 17.029 -7.037 236 HA ALA 31 HA ALA 31 19.839 16.599 -9.551 237 HB1 ALA 31 1HB ALA 31 22.643 15.739 -9.016 238 HB2 ALA 31 2HB ALA 31 21.982 16.654 -10.372 239 HB3 ALA 31 3HB ALA 31 22.207 17.436 -8.807 240 H ASN 32 H ASN 32 20.682 14.336 -7.082 241 HA ASN 32 HA ASN 32 20.769 12.054 -8.851 242 HB2 ASN 32 2HB ASN 32 20.636 12.125 -5.828 243 HB3 ASN 32 3HB ASN 32 21.068 10.738 -6.825 244 HD21 ASN 32 1HD2 ASN 32 22.994 10.977 -8.186 245 HD22 ASN 32 2HD2 ASN 32 24.318 11.907 -7.579 246 H THR 33 H THR 33 18.405 13.771 -7.016 247 HA THR 33 HA THR 33 16.426 11.664 -7.598 248 HB THR 33 HB THR 33 15.089 12.847 -5.721 249 HG1 THR 33 HG1 THR 33 16.594 14.614 -5.528 250 HG21 THR 33 1HG2 THR 33 17.231 11.584 -4.269 251 HG22 THR 33 2HG2 THR 33 16.878 10.688 -5.747 252 HG23 THR 33 3HG2 THR 33 15.596 11.001 -4.578 253 H LYS 34 H LYS 34 17.415 14.140 -9.104 254 HA LYS 34 HA LYS 34 14.972 15.723 -9.252 255 HB2 LYS 34 2HB LYS 34 17.766 16.032 -10.244 256 HB3 LYS 34 3HB LYS 34 16.484 16.860 -11.119 257 HG2 LYS 34 2HG LYS 34 16.434 17.187 -8.197 258 HG3 LYS 34 3HG LYS 34 17.814 17.911 -9.026 259 HD2 LYS 34 2HD LYS 34 15.681 18.622 -10.618 260 HD3 LYS 34 3HD LYS 34 15.014 18.724 -8.987 261 HE2 LYS 34 2HE LYS 34 16.771 20.223 -8.310 262 HE3 LYS 34 3HE LYS 34 17.594 20.020 -9.856 263 HZ1 LYS 34 1HZ LYS 34 16.489 21.869 -10.406 264 HZ2 LYS 34 2HZ LYS 34 15.345 21.696 -9.172 265 HZ3 LYS 34 3HZ LYS 34 15.158 20.847 -10.623 266 H CYS 35 H CYS 35 14.429 16.400 -11.642 267 HA CYS 35 HA CYS 35 14.267 13.929 -13.243 268 HB2 CYS 35 2HB CYS 35 12.210 16.108 -12.856 269 HB3 CYS 35 3HB CYS 35 12.090 14.874 -14.106 270 H GLU 36 H GLU 36 14.987 14.024 -15.277 271 HA GLU 36 HA GLU 36 16.028 16.559 -16.253 272 HB2 GLU 36 2HB GLU 36 17.575 14.800 -16.497 273 HB3 GLU 36 3HB GLU 36 16.353 13.696 -17.112 274 HG2 GLU 36 2HG GLU 36 16.488 14.495 -19.226 275 HG3 GLU 36 3HG GLU 36 16.880 16.132 -18.702 276 H LYS 37 H LYS 37 13.392 14.398 -16.813 277 HA LYS 37 HA LYS 37 12.427 16.172 -18.942 278 HB2 LYS 37 2HB LYS 37 13.449 13.845 -19.674 279 HB3 LYS 37 3HB LYS 37 11.876 13.245 -19.166 280 HG2 LYS 37 2HG LYS 37 10.762 14.332 -20.850 281 HG3 LYS 37 3HG LYS 37 12.004 15.574 -21.017 282 HD2 LYS 37 2HD LYS 37 13.378 14.211 -22.288 283 HD3 LYS 37 3HD LYS 37 12.642 12.728 -21.678 284 HE2 LYS 37 2HE LYS 37 10.515 13.566 -22.881 285 HE3 LYS 37 3HE LYS 37 11.615 14.636 -23.748 286 HZ1 LYS 37 1HZ LYS 37 12.461 12.946 -24.931 287 HZ2 LYS 37 2HZ LYS 37 11.020 12.156 -24.531 288 HZ3 LYS 37 3HZ LYS 37 12.424 11.857 -23.637 289 H ASP 38 H ASP 38 10.322 16.709 -18.781 290 HA ASP 38 HA ASP 38 8.902 16.111 -16.407 291 HB2 ASP 38 2HB ASP 38 8.708 18.195 -17.886 292 HB3 ASP 38 3HB ASP 38 7.658 17.226 -18.916 293 H GLY 39 H GLY 39 7.154 14.789 -16.022 294 HA2 GLY 39 2HA GLY 39 5.416 13.300 -16.647 295 HA3 GLY 39 3HA GLY 39 6.188 13.099 -18.213 296 H ASN 40 H ASN 40 8.702 12.898 -16.225 297 HA ASN 40 HA ASN 40 9.126 10.169 -16.545 298 HB2 ASN 40 2HB ASN 40 10.504 12.360 -15.370 299 HB3 ASN 40 3HB ASN 40 10.502 11.046 -14.198 300 HD21 ASN 40 1HD2 ASN 40 11.560 12.101 -17.324 301 HD22 ASN 40 2HD2 ASN 40 12.688 10.821 -17.602 302 H LYS 41 H LYS 41 9.718 8.822 -14.407 303 HA LYS 41 HA LYS 41 7.173 8.301 -13.166 304 HB2 LYS 41 2HB LYS 41 9.679 6.896 -13.547 305 HB3 LYS 41 3HB LYS 41 9.110 6.738 -11.891 306 HG2 LYS 41 2HG LYS 41 6.826 6.206 -13.142 307 HG3 LYS 41 3HG LYS 41 7.949 5.701 -14.407 308 HD2 LYS 41 2HD LYS 41 8.959 4.093 -13.008 309 HD3 LYS 41 3HD LYS 41 8.217 4.774 -11.559 310 HE2 LYS 41 2HE LYS 41 6.207 3.775 -11.953 311 HE3 LYS 41 3HE LYS 41 6.405 3.819 -13.704 312 HZ1 LYS 41 1HZ LYS 41 7.374 1.835 -11.774 313 HZ2 LYS 41 2HZ LYS 41 8.277 2.097 -13.180 314 HZ3 LYS 41 3HZ LYS 41 6.663 1.602 -13.291 315 H CYS 42 H CYS 42 6.756 8.283 -10.913 316 HA CYS 42 HA CYS 42 8.651 9.611 -9.152 317 HB2 CYS 42 2HB CYS 42 7.215 11.384 -10.290 318 HB3 CYS 42 3HB CYS 42 5.852 10.709 -9.402 319 H THR 43 H THR 43 8.036 9.484 -6.894 320 HA THR 43 HA THR 43 5.939 7.512 -6.310 321 HB THR 43 HB THR 43 8.156 7.149 -4.508 322 HG1 THR 43 HG1 THR 43 9.472 6.107 -6.261 323 HG21 THR 43 1HG2 THR 43 6.137 5.644 -5.310 324 HG22 THR 43 2HG2 THR 43 7.657 4.925 -4.777 325 HG23 THR 43 3HG2 THR 43 7.319 5.098 -6.499 326 H TYR 44 H TYR 44 4.867 7.799 -4.392 327 HA TYR 44 HA TYR 44 5.784 9.957 -2.625 328 HB2 TYR 44 2HB TYR 44 4.166 11.142 -3.798 329 HB3 TYR 44 3HB TYR 44 3.145 9.726 -4.024 330 HD1 TYR 44 HD1 TYR 44 1.603 9.012 -2.288 331 HD2 TYR 44 HD2 TYR 44 4.078 12.429 -1.737 332 HE1 TYR 44 HE1 TYR 44 0.223 9.694 -0.370 333 HE2 TYR 44 HE2 TYR 44 2.706 13.120 0.183 334 HH TYR 44 HH TYR 44 1.075 12.510 1.596 335 H ASP 45 H ASP 45 5.713 9.442 -0.534 336 HA ASP 45 HA ASP 45 4.439 6.920 0.224 337 HB2 ASP 45 2HB ASP 45 6.880 7.475 0.762 338 HB3 ASP 45 3HB ASP 45 6.243 8.596 1.961 339 H SER 46 H SER 46 2.590 6.871 1.310 340 HA SER 46 HA SER 46 1.376 9.341 2.193 341 HB2 SER 46 2HB SER 46 -0.630 8.087 2.458 342 HB3 SER 46 3HB SER 46 0.147 7.451 1.008 343 HG SER 46 HG SER 46 -0.307 5.655 2.106 344 H TYR 47 H TYR 47 3.339 6.969 3.569 345 HA TYR 47 HA TYR 47 2.280 7.113 6.243 346 HB2 TYR 47 2HB TYR 47 3.449 5.097 5.378 347 HB3 TYR 47 3HB TYR 47 4.941 6.028 5.297 348 HD1 TYR 47 HD1 TYR 47 5.933 6.919 7.436 349 HD2 TYR 47 HD2 TYR 47 2.744 4.103 7.399 350 HE1 TYR 47 HE1 TYR 47 6.430 6.334 9.773 351 HE2 TYR 47 HE2 TYR 47 3.231 3.511 9.735 352 HH TYR 47 HH TYR 47 5.841 3.906 11.226 353 H ASN 48 H ASN 48 5.070 8.444 4.512 354 HA ASN 48 HA ASN 48 5.590 10.200 6.817 355 HB2 ASN 48 2HB ASN 48 7.728 10.428 5.013 356 HB3 ASN 48 3HB ASN 48 7.723 9.572 6.552 357 HD21 ASN 48 1HD2 ASN 48 8.225 9.289 3.293 358 HD22 ASN 48 2HD2 ASN 48 8.125 7.570 3.146 359 H ARG 49 H ARG 49 3.998 10.224 3.980 360 HA ARG 49 HA ARG 49 3.310 11.816 2.502 361 HB2 ARG 49 2HB ARG 49 3.997 13.608 4.838 362 HB3 ARG 49 3HB ARG 49 3.064 14.107 3.434 363 HG2 ARG 49 2HG ARG 49 1.361 12.426 3.987 364 HG3 ARG 49 3HG ARG 49 2.290 11.981 5.419 365 HD2 ARG 49 2HD ARG 49 2.089 14.678 5.718 366 HD3 ARG 49 3HD ARG 49 0.557 14.298 4.932 367 HE ARG 49 HE ARG 49 1.178 12.581 7.152 368 HH11 ARG 49 1HH1 ARG 49 -0.258 15.598 6.175 369 HH12 ARG 49 2HH1 ARG 49 -1.283 15.711 7.568 370 HH21 ARG 49 1HH2 ARG 49 -0.166 12.719 8.990 371 HH22 ARG 49 2HH2 ARG 49 -1.229 14.073 9.169 372 H LYS 50 H LYS 50 6.144 11.054 2.488 373 HA LYS 50 HA LYS 50 7.338 13.525 1.422 374 HB2 LYS 50 2HB LYS 50 8.806 12.812 3.073 375 HB3 LYS 50 3HB LYS 50 8.505 11.110 2.749 376 HG2 LYS 50 2HG LYS 50 9.999 11.030 1.019 377 HG3 LYS 50 3HG LYS 50 9.830 12.747 0.648 378 HD2 LYS 50 2HD LYS 50 11.795 12.978 1.700 379 HD3 LYS 50 3HD LYS 50 10.860 12.796 3.185 380 HE2 LYS 50 2HE LYS 50 12.040 10.469 1.683 381 HE3 LYS 50 3HE LYS 50 12.898 11.318 2.968 382 HZ1 LYS 50 1HZ LYS 50 11.903 9.850 4.300 383 HZ2 LYS 50 2HZ LYS 50 10.747 9.413 3.145 384 HZ3 LYS 50 3HZ LYS 50 10.508 10.788 4.102 385 H VAL 51 H VAL 51 8.183 13.566 -0.628 386 HA VAL 51 HA VAL 51 7.382 11.347 -2.364 387 HB VAL 51 HB VAL 51 8.413 14.006 -3.316 388 HG11 VAL 51 1HG1 VAL 51 7.116 13.494 -5.297 389 HG12 VAL 51 2HG1 VAL 51 8.211 12.159 -4.933 390 HG13 VAL 51 3HG1 VAL 51 6.496 12.026 -4.542 391 HG21 VAL 51 1HG2 VAL 51 6.139 14.844 -3.371 392 HG22 VAL 51 2HG2 VAL 51 5.544 13.346 -2.656 393 HG23 VAL 51 3HG2 VAL 51 6.583 14.417 -1.718 394 H LYS 52 H LYS 52 8.821 10.000 -3.219 395 HA LYS 52 HA LYS 52 11.666 10.765 -3.140 396 HB2 LYS 52 2HB LYS 52 11.232 8.949 -1.602 397 HB3 LYS 52 3HB LYS 52 10.394 8.039 -2.852 398 HG2 LYS 52 2HG LYS 52 12.500 7.866 -4.109 399 HG3 LYS 52 3HG LYS 52 13.326 8.723 -2.806 400 HD2 LYS 52 2HD LYS 52 12.509 6.904 -1.257 401 HD3 LYS 52 3HD LYS 52 12.004 6.019 -2.698 402 HE2 LYS 52 2HE LYS 52 14.774 7.046 -2.690 403 HE3 LYS 52 3HE LYS 52 14.422 5.747 -1.551 404 HZ1 LYS 52 1HZ LYS 52 14.607 5.672 -4.430 405 HZ2 LYS 52 2HZ LYS 52 13.266 4.851 -3.805 406 HZ3 LYS 52 3HZ LYS 52 14.825 4.433 -3.298 407 H CYS 53 H CYS 53 12.550 11.072 -5.066 408 HA CYS 53 HA CYS 53 11.430 9.623 -7.376 409 HB2 CYS 53 2HB CYS 53 12.764 12.339 -7.347 410 HB3 CYS 53 3HB CYS 53 12.132 11.518 -8.770 411 H ASP 54 H ASP 54 12.811 8.618 -8.779 412 HA ASP 54 HA ASP 54 15.693 8.859 -8.310 413 HB2 ASP 54 2HB ASP 54 15.632 6.228 -8.694 414 HB3 ASP 54 3HB ASP 54 15.477 6.933 -7.087 415 H PHE 55 H PHE 55 16.995 8.329 -10.089 416 HA PHE 55 HA PHE 55 15.545 7.924 -12.621 417 HB2 PHE 55 2HB PHE 55 17.328 10.084 -11.817 418 HB3 PHE 55 3HB PHE 55 17.861 9.296 -13.298 419 HD1 PHE 55 HD1 PHE 55 17.334 10.708 -15.042 420 HD2 PHE 55 HD2 PHE 55 14.441 9.995 -12.002 421 HE1 PHE 55 HE1 PHE 55 15.675 11.996 -16.323 422 HE2 PHE 55 HE2 PHE 55 12.777 11.281 -13.279 423 HZ PHE 55 HZ PHE 55 13.392 12.283 -15.443 424 H ARG 56 H ARG 56 17.147 7.264 -14.416 425 HA ARG 56 HA ARG 56 19.336 5.606 -13.438 426 HB2 ARG 56 2HB ARG 56 16.896 4.552 -14.853 427 HB3 ARG 56 3HB ARG 56 18.436 3.706 -14.919 428 HG2 ARG 56 2HG ARG 56 18.416 3.671 -12.412 429 HG3 ARG 56 3HG ARG 56 16.764 4.287 -12.490 430 HD2 ARG 56 2HD ARG 56 16.157 2.134 -12.549 431 HD3 ARG 56 3HD ARG 56 16.680 2.181 -14.232 432 HE ARG 56 HE ARG 56 18.374 0.770 -13.668 433 HH11 ARG 56 1HH1 ARG 56 17.334 2.441 -10.796 434 HH12 ARG 56 2HH1 ARG 56 18.392 1.561 -9.743 435 HH21 ARG 56 1HH2 ARG 56 19.771 -0.395 -12.292 436 HH22 ARG 56 2HH2 ARG 56 19.778 -0.051 -10.596 437 H HIS 57 H HIS 57 20.886 5.105 -15.008 438 HA HIS 57 HA HIS 57 22.158 5.451 -16.862 439 HB2 HIS 57 2HB HIS 57 19.603 4.801 -17.805 440 HB3 HIS 57 3HB HIS 57 20.091 6.207 -18.746 441 HD1 HIS 57 HD1 HIS 57 21.673 5.799 -20.634 442 HD2 HIS 57 HD2 HIS 57 21.491 2.588 -18.004 443 HE1 HIS 57 HE1 HIS 57 23.014 3.967 -21.716 Start of MODEL 4 1 H1 LEU 1 H LEU 1 5.606 -1.909 -1.957 2 HA LEU 1 HA LEU 1 4.018 -1.505 -3.695 3 HB2 LEU 1 2HB LEU 1 2.044 -1.502 -1.417 4 HB3 LEU 1 3HB LEU 1 1.648 -1.151 -3.098 5 HG LEU 1 HG LEU 1 2.595 -3.790 -1.983 6 HD11 LEU 1 1HD1 LEU 1 0.361 -3.650 -1.416 7 HD12 LEU 1 2HD1 LEU 1 0.293 -4.426 -2.997 8 HD13 LEU 1 3HD1 LEU 1 -0.053 -2.704 -2.845 9 HD21 LEU 1 1HD2 LEU 1 3.527 -3.548 -4.168 10 HD22 LEU 1 2HD2 LEU 1 2.007 -2.926 -4.810 11 HD23 LEU 1 3HD2 LEU 1 2.125 -4.610 -4.297 12 H GLU 2 H GLU 2 2.473 0.539 -3.961 13 HA GLU 2 HA GLU 2 2.729 2.731 -2.250 14 HB2 GLU 2 2HB GLU 2 5.137 2.170 -3.583 15 HB3 GLU 2 3HB GLU 2 4.443 3.548 -4.425 16 HG2 GLU 2 2HG GLU 2 5.412 4.783 -2.853 17 HG3 GLU 2 3HG GLU 2 4.104 4.240 -1.803 18 H TYR 3 H TYR 3 2.392 4.875 -3.549 19 HA TYR 3 HA TYR 3 0.161 4.370 -5.330 20 HB2 TYR 3 2HB TYR 3 1.249 6.815 -3.961 21 HB3 TYR 3 3HB TYR 3 0.051 6.958 -5.242 22 HD1 TYR 3 HD1 TYR 3 -2.069 5.392 -4.926 23 HD2 TYR 3 HD2 TYR 3 0.500 6.665 -1.783 24 HE1 TYR 3 HE1 TYR 3 -3.866 4.978 -3.297 25 HE2 TYR 3 HE2 TYR 3 -1.289 6.254 -0.146 26 HH TYR 3 HH TYR 3 -4.332 4.757 -1.086 27 H LYS 4 H LYS 4 0.006 5.012 -7.455 28 HA LYS 4 HA LYS 4 2.514 5.252 -8.872 29 HB2 LYS 4 2HB LYS 4 -0.341 5.122 -9.856 30 HB3 LYS 4 3HB LYS 4 1.072 5.147 -10.903 31 HG2 LYS 4 2HG LYS 4 0.350 3.013 -8.906 32 HG3 LYS 4 3HG LYS 4 0.277 2.890 -10.665 33 HD2 LYS 4 2HD LYS 4 2.801 3.479 -10.560 34 HD3 LYS 4 3HD LYS 4 2.673 2.984 -8.870 35 HE2 LYS 4 2HE LYS 4 2.850 0.861 -9.493 36 HE3 LYS 4 3HE LYS 4 1.366 1.019 -10.430 37 HZ1 LYS 4 1HZ LYS 4 3.020 2.099 -12.139 38 HZ2 LYS 4 2HZ LYS 4 2.807 0.423 -12.063 39 HZ3 LYS 4 3HZ LYS 4 4.149 1.139 -11.323 40 H GLY 5 H GLY 5 3.454 7.185 -9.013 41 HA2 GLY 5 2HA GLY 5 1.763 9.479 -9.772 42 HA3 GLY 5 3HA GLY 5 2.950 9.636 -8.486 43 H GLU 6 H GLU 6 2.849 11.186 -10.885 44 HA GLU 6 HA GLU 6 5.271 10.256 -12.277 45 HB2 GLU 6 2HB GLU 6 3.402 12.378 -13.304 46 HB3 GLU 6 3HB GLU 6 4.582 11.434 -14.202 47 HG2 GLU 6 2HG GLU 6 1.923 10.560 -13.131 48 HG3 GLU 6 3HG GLU 6 2.486 10.573 -14.801 49 H CYS 7 H CYS 7 6.652 12.097 -13.128 50 HA CYS 7 HA CYS 7 6.843 14.216 -11.088 51 HB2 CYS 7 2HB CYS 7 8.993 13.704 -10.716 52 HB3 CYS 7 3HB CYS 7 8.706 12.222 -11.622 53 H PHE 8 H PHE 8 7.913 16.206 -11.824 54 HA PHE 8 HA PHE 8 7.164 16.797 -14.601 55 HB2 PHE 8 2HB PHE 8 6.918 18.237 -12.099 56 HB3 PHE 8 3HB PHE 8 7.764 19.204 -13.303 57 HD1 PHE 8 HD1 PHE 8 4.601 17.713 -12.328 58 HD2 PHE 8 HD2 PHE 8 6.658 19.824 -15.399 59 HE1 PHE 8 HE1 PHE 8 2.448 18.291 -13.368 60 HE2 PHE 8 HE2 PHE 8 4.508 20.406 -16.443 61 HZ PHE 8 HZ PHE 8 2.399 19.641 -15.427 62 H THR 9 H THR 9 8.541 18.673 -15.542 63 HA THR 9 HA THR 9 11.060 17.755 -16.142 64 HB THR 9 HB THR 9 11.239 20.577 -16.263 65 HG1 THR 9 HG1 THR 9 9.253 21.143 -17.137 66 HG21 THR 9 1HG2 THR 9 10.206 19.085 -18.602 67 HG22 THR 9 2HG2 THR 9 11.721 18.510 -17.906 68 HG23 THR 9 3HG2 THR 9 11.586 20.174 -18.471 69 H LYS 10 H LYS 10 13.046 19.436 -15.767 70 HA LYS 10 HA LYS 10 14.013 18.907 -13.217 71 HB2 LYS 10 2HB LYS 10 15.026 20.017 -15.545 72 HB3 LYS 10 3HB LYS 10 15.150 21.329 -14.381 73 HG2 LYS 10 2HG LYS 10 17.021 20.416 -13.638 74 HG3 LYS 10 3HG LYS 10 16.073 19.049 -13.049 75 HD2 LYS 10 2HD LYS 10 17.298 17.803 -14.446 76 HD3 LYS 10 3HD LYS 10 16.328 18.515 -15.737 77 HE2 LYS 10 2HE LYS 10 18.928 19.636 -14.698 78 HE3 LYS 10 3HE LYS 10 18.757 18.666 -16.160 79 HZ1 LYS 10 1HZ LYS 10 17.446 21.288 -15.682 80 HZ2 LYS 10 2HZ LYS 10 17.334 20.365 -17.095 81 HZ3 LYS 10 3HZ LYS 10 18.817 21.041 -16.643 82 H ASP 11 H ASP 11 11.531 20.914 -13.937 83 HA ASP 11 HA ASP 11 12.061 23.183 -12.324 84 HB2 ASP 11 2HB ASP 11 9.707 22.016 -13.684 85 HB3 ASP 11 3HB ASP 11 9.356 23.045 -12.299 86 H ASN 12 H ASN 12 11.738 20.022 -11.450 87 HA ASN 12 HA ASN 12 11.483 18.957 -9.456 88 HB2 ASN 12 2HB ASN 12 12.561 21.443 -8.814 89 HB3 ASN 12 3HB ASN 12 11.187 21.278 -7.724 90 HD21 ASN 12 1HD2 ASN 12 13.286 18.765 -9.037 91 HD22 ASN 12 2HD2 ASN 12 13.900 18.232 -7.512 92 H THR 13 H THR 13 9.449 18.130 -9.874 93 HA THR 13 HA THR 13 7.357 19.011 -8.154 94 HB THR 13 HB THR 13 5.972 19.046 -10.608 95 HG1 THR 13 HG1 THR 13 8.316 19.698 -11.240 96 HG21 THR 13 1HG2 THR 13 6.722 21.339 -8.788 97 HG22 THR 13 2HG2 THR 13 5.365 20.240 -8.543 98 HG23 THR 13 3HG2 THR 13 5.386 21.316 -9.939 99 H CYS 14 H CYS 14 5.530 17.574 -8.152 100 HA CYS 14 HA CYS 14 5.694 15.187 -9.805 101 HB2 CYS 14 2HB CYS 14 6.359 15.264 -6.915 102 HB3 CYS 14 3HB CYS 14 5.337 13.934 -7.449 103 H LYS 15 H LYS 15 3.758 14.069 -9.973 104 HA LYS 15 HA LYS 15 1.458 15.249 -8.561 105 HB2 LYS 15 2HB LYS 15 1.415 16.062 -10.834 106 HB3 LYS 15 3HB LYS 15 1.645 14.437 -11.465 107 HG2 LYS 15 2HG LYS 15 -0.662 15.154 -11.710 108 HG3 LYS 15 3HG LYS 15 -0.541 13.783 -10.605 109 HD2 LYS 15 2HD LYS 15 -1.599 14.965 -9.048 110 HD3 LYS 15 3HD LYS 15 -0.284 16.142 -9.061 111 HE2 LYS 15 2HE LYS 15 -2.405 17.244 -9.476 112 HE3 LYS 15 3HE LYS 15 -1.384 17.326 -10.911 113 HZ1 LYS 15 1HZ LYS 15 -2.912 15.004 -11.096 114 HZ2 LYS 15 2HZ LYS 15 -3.014 16.394 -12.054 115 HZ3 LYS 15 3HZ LYS 15 -3.968 16.253 -10.664 116 H TYR 16 H TYR 16 0.607 13.776 -7.258 117 HA TYR 16 HA TYR 16 0.517 10.976 -8.176 118 HB2 TYR 16 2HB TYR 16 0.844 10.218 -5.949 119 HB3 TYR 16 3HB TYR 16 2.055 11.466 -6.219 120 HD1 TYR 16 HD1 TYR 16 1.294 13.900 -5.494 121 HD2 TYR 16 HD2 TYR 16 -0.380 10.288 -3.992 122 HE1 TYR 16 HE1 TYR 16 0.506 15.102 -3.499 123 HE2 TYR 16 HE2 TYR 16 -1.174 11.481 -1.993 124 HH TYR 16 HH TYR 16 -0.307 14.833 -1.388 125 H LYS 17 H LYS 17 -1.332 9.755 -7.642 126 HA LYS 17 HA LYS 17 -3.687 11.385 -6.945 127 HB2 LYS 17 2HB LYS 17 -3.849 10.685 -9.236 128 HB3 LYS 17 3HB LYS 17 -3.434 9.029 -8.816 129 HG2 LYS 17 2HG LYS 17 -5.532 8.804 -7.593 130 HG3 LYS 17 3HG LYS 17 -5.948 10.472 -7.997 131 HD2 LYS 17 2HD LYS 17 -6.995 9.579 -9.768 132 HD3 LYS 17 3HD LYS 17 -5.377 9.408 -10.453 133 HE2 LYS 17 2HE LYS 17 -5.367 7.153 -9.148 134 HE3 LYS 17 3HE LYS 17 -7.118 7.353 -9.155 135 HZ1 LYS 17 1HZ LYS 17 -6.948 7.610 -11.614 136 HZ2 LYS 17 2HZ LYS 17 -6.534 6.073 -11.044 137 HZ3 LYS 17 3HZ LYS 17 -5.321 7.159 -11.506 138 H ILE 18 H ILE 18 -5.054 10.668 -5.386 139 HA ILE 18 HA ILE 18 -4.472 8.047 -4.175 140 HB ILE 18 HB ILE 18 -5.221 10.537 -2.642 141 HG12 ILE 18 2HG1 ILE 18 -2.945 10.704 -3.557 142 HG13 ILE 18 3HG1 ILE 18 -2.916 10.516 -1.807 143 HG21 ILE 18 1HG2 ILE 18 -4.877 7.684 -1.940 144 HG22 ILE 18 2HG2 ILE 18 -4.246 8.871 -0.800 145 HG23 ILE 18 3HG2 ILE 18 -5.950 8.901 -1.251 146 HD11 ILE 18 1HD1 ILE 18 -1.758 8.858 -3.866 147 HD12 ILE 18 2HD1 ILE 18 -1.446 8.892 -2.130 148 HD13 ILE 18 3HD1 ILE 18 -2.776 7.926 -2.768 149 H ASP 19 H ASP 19 -6.220 6.932 -3.275 150 HA ASP 19 HA ASP 19 -8.625 7.006 -4.604 151 HB2 ASP 19 2HB ASP 19 -7.790 5.885 -1.956 152 HB3 ASP 19 3HB ASP 19 -9.493 5.846 -2.406 153 H GLY 20 H GLY 20 -10.188 8.470 -4.682 154 HA2 GLY 20 2HA GLY 20 -11.966 9.631 -3.522 155 HA3 GLY 20 3HA GLY 20 -10.831 9.965 -2.223 156 H LYS 21 H LYS 21 -8.993 11.406 -2.765 157 HA LYS 21 HA LYS 21 -9.724 13.361 -4.844 158 HB2 LYS 21 2HB LYS 21 -8.926 13.824 -1.984 159 HB3 LYS 21 3HB LYS 21 -8.654 15.061 -3.205 160 HG2 LYS 21 2HG LYS 21 -11.327 13.838 -2.547 161 HG3 LYS 21 3HG LYS 21 -10.742 15.395 -1.956 162 HD2 LYS 21 2HD LYS 21 -11.190 14.643 -4.845 163 HD3 LYS 21 3HD LYS 21 -12.226 15.689 -3.870 164 HE2 LYS 21 2HE LYS 21 -9.928 16.977 -3.519 165 HE3 LYS 21 3HE LYS 21 -9.562 16.222 -5.069 166 HZ1 LYS 21 1HZ LYS 21 -10.870 18.548 -4.775 167 HZ2 LYS 21 2HZ LYS 21 -12.162 17.468 -4.929 168 HZ3 LYS 21 3HZ LYS 21 -10.984 17.554 -6.140 169 H THR 22 H THR 22 -8.008 14.454 -5.858 170 HA THR 22 HA THR 22 -5.447 13.032 -5.675 171 HB THR 22 HB THR 22 -6.532 14.799 -7.876 172 HG1 THR 22 HG1 THR 22 -7.524 12.921 -8.206 173 HG21 THR 22 1HG2 THR 22 -4.572 13.935 -9.162 174 HG22 THR 22 2HG2 THR 22 -3.944 13.261 -7.658 175 HG23 THR 22 3HG2 THR 22 -4.139 15.005 -7.830 176 H TYR 23 H TYR 23 -3.536 14.076 -5.304 177 HA TYR 23 HA TYR 23 -3.626 16.983 -4.881 178 HB2 TYR 23 2HB TYR 23 -2.016 15.282 -3.020 179 HB3 TYR 23 3HB TYR 23 -2.698 16.884 -2.761 180 HD1 TYR 23 HD1 TYR 23 -4.847 17.157 -1.799 181 HD2 TYR 23 HD2 TYR 23 -3.521 13.282 -2.950 182 HE1 TYR 23 HE1 TYR 23 -6.755 16.158 -0.611 183 HE2 TYR 23 HE2 TYR 23 -5.425 12.272 -1.766 184 HH TYR 23 HH TYR 23 -7.030 12.714 -0.147 185 H LEU 24 H LEU 24 -1.337 17.868 -4.601 186 HA LEU 24 HA LEU 24 0.354 16.633 -6.656 187 HB2 LEU 24 2HB LEU 24 -0.441 19.001 -6.911 188 HB3 LEU 24 3HB LEU 24 0.555 19.413 -5.517 189 HG LEU 24 HG LEU 24 2.508 18.460 -6.906 190 HD11 LEU 24 1HD1 LEU 24 2.124 18.800 -9.368 191 HD12 LEU 24 2HD1 LEU 24 0.396 18.828 -9.017 192 HD13 LEU 24 3HD1 LEU 24 1.343 17.383 -8.667 193 HD21 LEU 24 1HD2 LEU 24 2.318 20.800 -6.365 194 HD22 LEU 24 2HD2 LEU 24 1.122 21.036 -7.640 195 HD23 LEU 24 3HD2 LEU 24 2.788 20.633 -8.057 196 H ALA 25 H ALA 25 2.573 16.334 -6.332 197 HA ALA 25 HA ALA 25 3.453 16.455 -3.520 198 HB1 ALA 25 1HB ALA 25 3.243 14.187 -5.261 199 HB2 ALA 25 2HB ALA 25 4.927 14.438 -4.797 200 HB3 ALA 25 3HB ALA 25 3.689 14.249 -3.556 201 H LYS 26 H LYS 26 5.684 16.836 -3.154 202 HA LYS 26 HA LYS 26 7.019 18.179 -5.409 203 HB2 LYS 26 2HB LYS 26 6.345 19.298 -3.053 204 HB3 LYS 26 3HB LYS 26 7.939 18.682 -2.636 205 HG2 LYS 26 2HG LYS 26 7.446 20.388 -5.058 206 HG3 LYS 26 3HG LYS 26 7.832 21.061 -3.472 207 HD2 LYS 26 2HD LYS 26 9.730 19.061 -3.890 208 HD3 LYS 26 3HD LYS 26 9.579 19.877 -5.448 209 HE2 LYS 26 2HE LYS 26 11.280 20.998 -4.211 210 HE3 LYS 26 3HE LYS 26 9.865 22.049 -4.239 211 HZ1 LYS 26 1HZ LYS 26 11.236 21.373 -2.025 212 HZ2 LYS 26 2HZ LYS 26 9.964 20.259 -1.980 213 HZ3 LYS 26 3HZ LYS 26 9.634 21.917 -2.033 214 H CYS 27 H CYS 27 9.169 17.767 -5.848 215 HA CYS 27 HA CYS 27 10.290 15.397 -4.506 216 HB2 CYS 27 2HB CYS 27 10.277 16.307 -7.341 217 HB3 CYS 27 3HB CYS 27 11.710 15.460 -6.767 218 HA PRO 28 HA PRO 28 13.848 17.598 -3.191 219 HB2 PRO 28 2HB PRO 28 15.864 15.848 -3.687 220 HB3 PRO 28 3HB PRO 28 14.681 15.611 -2.395 221 HG2 PRO 28 2HG PRO 28 14.767 14.399 -5.131 222 HG3 PRO 28 3HG PRO 28 14.393 13.630 -3.578 223 HD2 PRO 28 2HD PRO 28 12.471 14.384 -5.329 224 HD3 PRO 28 3HD PRO 28 12.223 14.407 -3.572 225 H SER 29 H SER 29 15.532 18.905 -3.881 226 HA SER 29 HA SER 29 15.629 19.418 -6.714 227 HB2 SER 29 2HB SER 29 17.389 21.168 -5.861 228 HB3 SER 29 3HB SER 29 15.677 21.406 -5.513 229 HG SER 29 HG SER 29 17.770 20.769 -3.809 230 H ALA 30 H ALA 30 17.233 17.322 -4.697 231 HA ALA 30 HA ALA 30 19.902 17.433 -5.369 232 HB1 ALA 30 1HB ALA 30 19.901 15.642 -4.063 233 HB2 ALA 30 2HB ALA 30 18.145 15.528 -4.196 234 HB3 ALA 30 3HB ALA 30 19.174 14.697 -5.362 235 H ALA 31 H ALA 31 21.120 16.939 -7.106 236 HA ALA 31 HA ALA 31 19.929 16.752 -9.658 237 HB1 ALA 31 1HB ALA 31 22.361 17.492 -8.797 238 HB2 ALA 31 2HB ALA 31 22.732 15.870 -9.384 239 HB3 ALA 31 3HB ALA 31 22.014 17.059 -10.471 240 H ASN 32 H ASN 32 20.884 14.368 -7.344 241 HA ASN 32 HA ASN 32 20.970 12.196 -9.246 242 HB2 ASN 32 2HB ASN 32 22.248 12.435 -6.972 243 HB3 ASN 32 3HB ASN 32 20.760 11.793 -6.282 244 HD21 ASN 32 1HD2 ASN 32 23.109 11.154 -8.854 245 HD22 ASN 32 2HD2 ASN 32 23.058 9.433 -8.709 246 H THR 33 H THR 33 18.615 13.764 -7.284 247 HA THR 33 HA THR 33 16.671 11.635 -7.906 248 HB THR 33 HB THR 33 15.340 12.619 -5.965 249 HG1 THR 33 HG1 THR 33 16.783 14.536 -5.882 250 HG21 THR 33 1HG2 THR 33 17.771 11.583 -4.704 251 HG22 THR 33 2HG2 THR 33 17.200 10.611 -6.060 252 HG23 THR 33 3HG2 THR 33 16.130 10.940 -4.698 253 H LYS 34 H LYS 34 17.582 14.216 -9.313 254 HA LYS 34 HA LYS 34 15.116 15.755 -9.355 255 HB2 LYS 34 2HB LYS 34 17.890 16.154 -10.241 256 HB3 LYS 34 3HB LYS 34 16.683 16.802 -11.344 257 HG2 LYS 34 2HG LYS 34 16.051 17.494 -8.622 258 HG3 LYS 34 3HG LYS 34 17.689 18.002 -9.042 259 HD2 LYS 34 2HD LYS 34 16.696 19.016 -11.137 260 HD3 LYS 34 3HD LYS 34 15.110 18.726 -10.418 261 HE2 LYS 34 2HE LYS 34 15.457 20.267 -8.722 262 HE3 LYS 34 3HE LYS 34 17.211 20.191 -8.875 263 HZ1 LYS 34 1HZ LYS 34 15.274 21.614 -10.589 264 HZ2 LYS 34 2HZ LYS 34 16.817 21.224 -11.161 265 HZ3 LYS 34 3HZ LYS 34 16.645 22.225 -9.808 266 H CYS 35 H CYS 35 14.477 16.485 -11.707 267 HA CYS 35 HA CYS 35 14.227 14.040 -13.334 268 HB2 CYS 35 2HB CYS 35 12.247 16.284 -12.909 269 HB3 CYS 35 3HB CYS 35 12.055 15.027 -14.127 270 H GLU 36 H GLU 36 14.696 14.145 -15.468 271 HA GLU 36 HA GLU 36 15.936 16.600 -16.421 272 HB2 GLU 36 2HB GLU 36 17.247 14.666 -16.823 273 HB3 GLU 36 3HB GLU 36 15.872 13.771 -17.453 274 HG2 GLU 36 2HG GLU 36 17.538 14.555 -19.154 275 HG3 GLU 36 3HG GLU 36 15.862 15.004 -19.462 276 H LYS 37 H LYS 37 13.112 14.638 -16.974 277 HA LYS 37 HA LYS 37 12.052 16.708 -18.739 278 HB2 LYS 37 2HB LYS 37 13.117 14.618 -19.968 279 HB3 LYS 37 3HB LYS 37 11.580 13.873 -19.548 280 HG2 LYS 37 2HG LYS 37 10.384 15.624 -20.735 281 HG3 LYS 37 3HG LYS 37 11.911 16.419 -21.123 282 HD2 LYS 37 2HD LYS 37 12.119 13.710 -21.932 283 HD3 LYS 37 3HD LYS 37 10.578 14.330 -22.528 284 HE2 LYS 37 2HE LYS 37 11.614 16.040 -23.752 285 HE3 LYS 37 3HE LYS 37 13.132 15.869 -22.872 286 HZ1 LYS 37 1HZ LYS 37 12.031 13.762 -24.645 287 HZ2 LYS 37 2HZ LYS 37 13.579 13.832 -23.968 288 HZ3 LYS 37 3HZ LYS 37 13.131 14.935 -25.169 289 H ASP 38 H ASP 38 9.828 16.927 -18.668 290 HA ASP 38 HA ASP 38 8.540 16.034 -16.312 291 HB2 ASP 38 2HB ASP 38 6.668 17.284 -17.027 292 HB3 ASP 38 3HB ASP 38 8.063 18.157 -17.656 293 H GLY 39 H GLY 39 6.801 14.602 -16.041 294 HA2 GLY 39 2HA GLY 39 5.256 12.964 -16.788 295 HA3 GLY 39 3HA GLY 39 6.151 12.844 -18.295 296 H ASN 40 H ASN 40 8.554 12.853 -16.194 297 HA ASN 40 HA ASN 40 9.207 10.162 -16.457 298 HB2 ASN 40 2HB ASN 40 10.364 12.469 -15.275 299 HB3 ASN 40 3HB ASN 40 10.404 11.189 -14.066 300 HD21 ASN 40 1HD2 ASN 40 11.414 12.133 -17.273 301 HD22 ASN 40 2HD2 ASN 40 12.688 10.976 -17.422 302 H LYS 41 H LYS 41 9.821 8.902 -14.267 303 HA LYS 41 HA LYS 41 7.266 8.225 -13.104 304 HB2 LYS 41 2HB LYS 41 9.761 6.904 -13.542 305 HB3 LYS 41 3HB LYS 41 9.380 6.815 -11.827 306 HG2 LYS 41 2HG LYS 41 7.634 5.899 -14.103 307 HG3 LYS 41 3HG LYS 41 8.517 4.876 -12.968 308 HD2 LYS 41 2HD LYS 41 7.122 6.296 -11.206 309 HD3 LYS 41 3HD LYS 41 6.025 6.446 -12.581 310 HE2 LYS 41 2HE LYS 41 7.006 3.913 -11.276 311 HE3 LYS 41 3HE LYS 41 5.357 4.537 -11.305 312 HZ1 LYS 41 1HZ LYS 41 6.833 3.101 -13.355 313 HZ2 LYS 41 2HZ LYS 41 5.849 4.362 -13.905 314 HZ3 LYS 41 3HZ LYS 41 5.177 3.095 -13.007 315 H CYS 42 H CYS 42 6.804 8.183 -10.861 316 HA CYS 42 HA CYS 42 8.596 9.562 -9.043 317 HB2 CYS 42 2HB CYS 42 7.178 11.315 -10.234 318 HB3 CYS 42 3HB CYS 42 5.793 10.622 -9.396 319 H THR 43 H THR 43 7.904 9.420 -6.810 320 HA THR 43 HA THR 43 5.787 7.457 -6.291 321 HB THR 43 HB THR 43 7.986 7.030 -4.472 322 HG1 THR 43 HG1 THR 43 9.609 6.775 -5.810 323 HG21 THR 43 1HG2 THR 43 6.336 5.393 -6.363 324 HG22 THR 43 2HG2 THR 43 6.402 5.335 -4.601 325 HG23 THR 43 3HG2 THR 43 7.733 4.683 -5.556 326 H TYR 44 H TYR 44 4.706 7.720 -4.371 327 HA TYR 44 HA TYR 44 5.640 9.827 -2.553 328 HB2 TYR 44 2HB TYR 44 4.076 11.075 -3.737 329 HB3 TYR 44 3HB TYR 44 3.017 9.693 -3.997 330 HD1 TYR 44 HD1 TYR 44 1.463 8.970 -2.258 331 HD2 TYR 44 HD2 TYR 44 3.967 12.363 -1.692 332 HE1 TYR 44 HE1 TYR 44 0.079 9.665 -0.348 333 HE2 TYR 44 HE2 TYR 44 2.590 13.067 0.221 334 HH TYR 44 HH TYR 44 0.108 11.025 1.550 335 H ASP 45 H ASP 45 5.506 9.280 -0.472 336 HA ASP 45 HA ASP 45 4.166 6.771 0.210 337 HB2 ASP 45 2HB ASP 45 6.605 7.285 0.817 338 HB3 ASP 45 3HB ASP 45 5.948 8.381 2.030 339 H SER 46 H SER 46 2.278 6.748 1.226 340 HA SER 46 HA SER 46 1.098 9.223 2.137 341 HB2 SER 46 2HB SER 46 -0.561 7.995 1.138 342 HB3 SER 46 3HB SER 46 0.143 6.452 1.622 343 HG SER 46 HG SER 46 -1.819 7.832 2.797 344 H TYR 47 H TYR 47 2.959 6.766 3.510 345 HA TYR 47 HA TYR 47 1.825 6.871 6.155 346 HB2 TYR 47 2HB TYR 47 3.011 4.866 5.210 347 HB3 TYR 47 3HB TYR 47 4.516 5.772 5.325 348 HD1 TYR 47 HD1 TYR 47 5.272 6.556 7.619 349 HD2 TYR 47 HD2 TYR 47 2.154 3.714 7.070 350 HE1 TYR 47 HE1 TYR 47 5.543 5.817 9.950 351 HE2 TYR 47 HE2 TYR 47 2.415 2.968 9.399 352 HH TYR 47 HH TYR 47 3.544 3.203 11.292 353 H ASN 48 H ASN 48 4.696 8.179 4.541 354 HA ASN 48 HA ASN 48 5.185 9.865 6.904 355 HB2 ASN 48 2HB ASN 48 7.382 10.083 5.169 356 HB3 ASN 48 3HB ASN 48 7.311 9.198 6.690 357 HD21 ASN 48 1HD2 ASN 48 7.902 8.966 3.440 358 HD22 ASN 48 2HD2 ASN 48 7.768 7.253 3.257 359 H ARG 49 H ARG 49 3.676 9.999 4.029 360 HA ARG 49 HA ARG 49 3.065 11.642 2.574 361 HB2 ARG 49 2HB ARG 49 3.680 13.247 5.052 362 HB3 ARG 49 3HB ARG 49 3.011 13.975 3.598 363 HG2 ARG 49 2HG ARG 49 1.321 11.868 4.014 364 HG3 ARG 49 3HG ARG 49 1.718 12.369 5.659 365 HD2 ARG 49 2HD ARG 49 1.281 14.770 4.500 366 HD3 ARG 49 3HD ARG 49 0.178 13.759 3.567 367 HE ARG 49 HE ARG 49 -1.171 13.625 5.401 368 HH11 ARG 49 1HH1 ARG 49 2.007 14.614 6.421 369 HH12 ARG 49 2HH1 ARG 49 1.535 14.895 8.064 370 HH21 ARG 49 1HH2 ARG 49 -1.806 13.992 7.562 371 HH22 ARG 49 2HH2 ARG 49 -0.634 14.540 8.712 372 H LYS 50 H LYS 50 5.880 10.799 2.616 373 HA LYS 50 HA LYS 50 7.165 13.255 1.622 374 HB2 LYS 50 2HB LYS 50 8.572 12.478 3.296 375 HB3 LYS 50 3HB LYS 50 8.235 10.789 2.938 376 HG2 LYS 50 2HG LYS 50 9.755 10.703 1.223 377 HG3 LYS 50 3HG LYS 50 9.665 12.438 0.912 378 HD2 LYS 50 2HD LYS 50 11.753 12.182 1.908 379 HD3 LYS 50 3HD LYS 50 10.726 12.685 3.252 380 HE2 LYS 50 2HE LYS 50 11.821 10.914 4.207 381 HE3 LYS 50 3HE LYS 50 10.404 10.095 3.551 382 HZ1 LYS 50 1HZ LYS 50 11.618 9.100 1.917 383 HZ2 LYS 50 2HZ LYS 50 12.800 9.184 3.123 384 HZ3 LYS 50 3HZ LYS 50 12.793 10.317 1.867 385 H VAL 51 H VAL 51 8.090 13.295 -0.400 386 HA VAL 51 HA VAL 51 7.244 11.148 -2.202 387 HB VAL 51 HB VAL 51 8.398 13.827 -2.974 388 HG11 VAL 51 1HG1 VAL 51 7.517 13.393 -5.133 389 HG12 VAL 51 2HG1 VAL 51 8.377 11.933 -4.639 390 HG13 VAL 51 3HG1 VAL 51 6.615 11.991 -4.559 391 HG21 VAL 51 1HG2 VAL 51 5.483 13.089 -2.747 392 HG22 VAL 51 2HG2 VAL 51 6.360 14.083 -1.584 393 HG23 VAL 51 3HG2 VAL 51 6.147 14.646 -3.242 394 H LYS 52 H LYS 52 8.636 9.770 -3.099 395 HA LYS 52 HA LYS 52 11.516 10.347 -2.846 396 HB2 LYS 52 2HB LYS 52 10.908 8.480 -1.441 397 HB3 LYS 52 3HB LYS 52 10.056 7.702 -2.768 398 HG2 LYS 52 2HG LYS 52 12.171 7.411 -3.957 399 HG3 LYS 52 3HG LYS 52 13.025 8.191 -2.623 400 HD2 LYS 52 2HD LYS 52 12.412 6.422 -1.120 401 HD3 LYS 52 3HD LYS 52 11.360 5.693 -2.335 402 HE2 LYS 52 2HE LYS 52 13.340 4.411 -2.346 403 HE3 LYS 52 3HE LYS 52 13.427 5.439 -3.775 404 HZ1 LYS 52 1HZ LYS 52 14.600 6.654 -1.462 405 HZ2 LYS 52 2HZ LYS 52 15.244 6.440 -3.010 406 HZ3 LYS 52 3HZ LYS 52 15.351 5.195 -1.871 407 H CYS 53 H CYS 53 12.466 10.766 -4.717 408 HA CYS 53 HA CYS 53 11.488 9.389 -7.132 409 HB2 CYS 53 2HB CYS 53 12.771 12.104 -7.232 410 HB3 CYS 53 3HB CYS 53 11.735 11.327 -8.425 411 H ASP 54 H ASP 54 12.995 8.563 -8.525 412 HA ASP 54 HA ASP 54 15.829 9.016 -7.934 413 HB2 ASP 54 2HB ASP 54 15.961 6.393 -8.457 414 HB3 ASP 54 3HB ASP 54 15.772 7.023 -6.823 415 H PHE 55 H PHE 55 17.229 8.702 -9.681 416 HA PHE 55 HA PHE 55 15.925 8.240 -12.280 417 HB2 PHE 55 2HB PHE 55 17.320 10.597 -11.335 418 HB3 PHE 55 3HB PHE 55 18.099 9.935 -12.767 419 HD1 PHE 55 HD1 PHE 55 17.521 11.252 -14.562 420 HD2 PHE 55 HD2 PHE 55 14.515 10.127 -11.767 421 HE1 PHE 55 HE1 PHE 55 15.811 12.310 -15.980 422 HE2 PHE 55 HE2 PHE 55 12.800 11.181 -13.181 423 HZ PHE 55 HZ PHE 55 13.447 12.274 -15.291 424 H ARG 56 H ARG 56 17.315 7.431 -13.962 425 HA ARG 56 HA ARG 56 19.854 6.280 -13.058 426 HB2 ARG 56 2HB ARG 56 17.485 4.784 -14.131 427 HB3 ARG 56 3HB ARG 56 19.113 4.178 -14.409 428 HG2 ARG 56 2HG ARG 56 19.201 4.644 -11.747 429 HG3 ARG 56 3HG ARG 56 17.501 4.217 -11.957 430 HD2 ARG 56 2HD ARG 56 18.634 2.290 -13.440 431 HD3 ARG 56 3HD ARG 56 19.935 2.569 -12.283 432 HE ARG 56 HE ARG 56 17.450 2.299 -10.950 433 HH11 ARG 56 1HH1 ARG 56 19.904 0.456 -12.594 434 HH12 ARG 56 2HH1 ARG 56 19.579 -1.004 -11.719 435 HH21 ARG 56 1HH2 ARG 56 17.013 0.383 -9.791 436 HH22 ARG 56 2HH2 ARG 56 17.933 -1.044 -10.126 437 H HIS 57 H HIS 57 21.365 5.902 -14.694 438 HA HIS 57 HA HIS 57 22.451 6.282 -16.657 439 HB2 HIS 57 2HB HIS 57 19.972 5.190 -17.365 440 HB3 HIS 57 3HB HIS 57 20.181 6.575 -18.432 441 HD1 HIS 57 HD1 HIS 57 20.799 5.457 -20.579 442 HD2 HIS 57 HD2 HIS 57 23.053 4.080 -17.372 443 HE1 HIS 57 HE1 HIS 57 22.561 3.971 -21.585 Start of MODEL 5 1 H1 LEU 1 H LEU 1 1.512 -1.867 -0.825 2 HA LEU 1 HA LEU 1 2.269 -1.453 -2.939 3 HB2 LEU 1 2HB LEU 1 -0.510 -2.017 -3.322 4 HB3 LEU 1 3HB LEU 1 -0.029 -0.703 -4.392 5 HG LEU 1 HG LEU 1 1.417 -3.342 -4.266 6 HD11 LEU 1 1HD1 LEU 1 -0.284 -4.274 -5.340 7 HD12 LEU 1 2HD1 LEU 1 -0.011 -3.143 -6.665 8 HD13 LEU 1 3HD1 LEU 1 -1.158 -2.743 -5.386 9 HD21 LEU 1 1HD2 LEU 1 1.375 -1.202 -6.389 10 HD22 LEU 1 2HD2 LEU 1 2.378 -2.652 -6.356 11 HD23 LEU 1 3HD2 LEU 1 2.635 -1.374 -5.167 12 H GLU 2 H GLU 2 3.325 0.376 -3.284 13 HA GLU 2 HA GLU 2 2.650 2.852 -2.251 14 HB2 GLU 2 2HB GLU 2 4.533 1.931 -4.373 15 HB3 GLU 2 3HB GLU 2 4.231 3.657 -4.223 16 HG2 GLU 2 2HG GLU 2 6.008 3.486 -2.835 17 HG3 GLU 2 3HG GLU 2 4.723 3.152 -1.675 18 H TYR 3 H TYR 3 2.194 4.875 -3.459 19 HA TYR 3 HA TYR 3 -0.135 4.490 -5.126 20 HB2 TYR 3 2HB TYR 3 1.176 6.886 -3.867 21 HB3 TYR 3 3HB TYR 3 -0.104 7.075 -5.060 22 HD1 TYR 3 HD1 TYR 3 0.462 7.137 -1.698 23 HD2 TYR 3 HD2 TYR 3 -2.150 5.289 -4.503 24 HE1 TYR 3 HE1 TYR 3 -1.221 6.843 0.072 25 HE2 TYR 3 HE2 TYR 3 -3.840 4.991 -2.741 26 HH TYR 3 HH TYR 3 -3.532 4.834 0.096 27 H LYS 4 H LYS 4 -0.384 5.122 -7.245 28 HA LYS 4 HA LYS 4 2.042 5.203 -8.815 29 HB2 LYS 4 2HB LYS 4 -0.855 5.297 -9.679 30 HB3 LYS 4 3HB LYS 4 0.525 5.098 -10.750 31 HG2 LYS 4 2HG LYS 4 -0.374 3.178 -8.613 32 HG3 LYS 4 3HG LYS 4 -0.538 2.969 -10.358 33 HD2 LYS 4 2HD LYS 4 1.930 3.029 -10.554 34 HD3 LYS 4 3HD LYS 4 2.040 3.124 -8.795 35 HE2 LYS 4 2HE LYS 4 1.679 0.931 -8.553 36 HE3 LYS 4 3HE LYS 4 0.349 0.937 -9.710 37 HZ1 LYS 4 1HZ LYS 4 2.035 0.948 -11.499 38 HZ2 LYS 4 2HZ LYS 4 2.087 -0.447 -10.543 39 HZ3 LYS 4 3HZ LYS 4 3.246 0.767 -10.331 40 H GLY 5 H GLY 5 3.082 7.084 -8.996 41 HA2 GLY 5 2HA GLY 5 1.495 9.456 -9.729 42 HA3 GLY 5 3HA GLY 5 2.716 9.566 -8.471 43 H GLU 6 H GLU 6 2.646 11.096 -10.881 44 HA GLU 6 HA GLU 6 4.990 10.029 -12.309 45 HB2 GLU 6 2HB GLU 6 3.228 12.230 -13.351 46 HB3 GLU 6 3HB GLU 6 4.309 11.171 -14.246 47 HG2 GLU 6 2HG GLU 6 1.608 10.566 -13.111 48 HG3 GLU 6 3HG GLU 6 2.171 10.416 -14.774 49 H CYS 7 H CYS 7 6.440 11.785 -13.213 50 HA CYS 7 HA CYS 7 6.749 13.947 -11.234 51 HB2 CYS 7 2HB CYS 7 8.836 13.270 -10.799 52 HB3 CYS 7 3HB CYS 7 8.523 11.837 -11.772 53 H PHE 8 H PHE 8 7.720 15.907 -11.997 54 HA PHE 8 HA PHE 8 7.086 16.415 -14.810 55 HB2 PHE 8 2HB PHE 8 7.421 18.212 -12.415 56 HB3 PHE 8 3HB PHE 8 7.373 18.852 -14.055 57 HD1 PHE 8 HD1 PHE 8 5.432 16.453 -11.951 58 HD2 PHE 8 HD2 PHE 8 5.350 19.633 -14.780 59 HE1 PHE 8 HE1 PHE 8 2.973 16.455 -11.872 60 HE2 PHE 8 HE2 PHE 8 2.891 19.640 -14.705 61 HZ PHE 8 HZ PHE 8 1.699 18.051 -13.250 62 H THR 9 H THR 9 8.535 18.206 -15.803 63 HA THR 9 HA THR 9 11.017 17.187 -16.368 64 HB THR 9 HB THR 9 11.330 19.986 -16.548 65 HG1 THR 9 HG1 THR 9 9.121 20.245 -16.124 66 HG21 THR 9 1HG2 THR 9 10.181 18.560 -18.861 67 HG22 THR 9 2HG2 THR 9 11.631 17.840 -18.163 68 HG23 THR 9 3HG2 THR 9 11.662 19.507 -18.734 69 H LYS 10 H LYS 10 13.075 18.772 -16.013 70 HA LYS 10 HA LYS 10 13.997 18.259 -13.440 71 HB2 LYS 10 2HB LYS 10 15.128 19.148 -15.762 72 HB3 LYS 10 3HB LYS 10 15.219 20.590 -14.759 73 HG2 LYS 10 2HG LYS 10 17.013 19.773 -13.763 74 HG3 LYS 10 3HG LYS 10 16.063 18.407 -13.175 75 HD2 LYS 10 2HD LYS 10 17.009 17.005 -14.635 76 HD3 LYS 10 3HD LYS 10 16.778 18.128 -15.977 77 HE2 LYS 10 2HE LYS 10 18.792 19.294 -15.435 78 HE3 LYS 10 3HE LYS 10 18.970 18.398 -13.927 79 HZ1 LYS 10 1HZ LYS 10 20.210 17.749 -16.194 80 HZ2 LYS 10 2HZ LYS 10 18.829 16.783 -16.332 81 HZ3 LYS 10 3HZ LYS 10 19.836 16.630 -14.981 82 H ASP 11 H ASP 11 11.616 20.351 -14.214 83 HA ASP 11 HA ASP 11 12.254 22.650 -12.687 84 HB2 ASP 11 2HB ASP 11 10.299 22.086 -14.446 85 HB3 ASP 11 3HB ASP 11 9.407 21.851 -12.945 86 H ASN 12 H ASN 12 11.815 19.542 -11.694 87 HA ASN 12 HA ASN 12 11.540 18.564 -9.659 88 HB2 ASN 12 2HB ASN 12 12.696 21.036 -9.115 89 HB3 ASN 12 3HB ASN 12 11.319 20.960 -8.020 90 HD21 ASN 12 1HD2 ASN 12 13.334 18.330 -9.229 91 HD22 ASN 12 2HD2 ASN 12 13.931 17.838 -7.683 92 H THR 13 H THR 13 9.475 17.795 -10.072 93 HA THR 13 HA THR 13 7.416 18.797 -8.373 94 HB THR 13 HB THR 13 6.171 18.760 -10.971 95 HG1 THR 13 HG1 THR 13 8.415 19.588 -11.429 96 HG21 THR 13 1HG2 THR 13 6.318 20.505 -8.578 97 HG22 THR 13 2HG2 THR 13 4.912 19.865 -9.429 98 HG23 THR 13 3HG2 THR 13 5.784 21.251 -10.083 99 H CYS 14 H CYS 14 5.612 17.386 -8.231 100 HA CYS 14 HA CYS 14 5.671 14.947 -9.827 101 HB2 CYS 14 2HB CYS 14 6.299 15.105 -6.918 102 HB3 CYS 14 3HB CYS 14 5.325 13.747 -7.474 103 H LYS 15 H LYS 15 3.702 13.913 -9.981 104 HA LYS 15 HA LYS 15 1.457 15.073 -8.481 105 HB2 LYS 15 2HB LYS 15 1.392 16.153 -10.630 106 HB3 LYS 15 3HB LYS 15 1.598 14.619 -11.464 107 HG2 LYS 15 2HG LYS 15 -0.579 14.044 -11.239 108 HG3 LYS 15 3HG LYS 15 -0.748 14.859 -9.682 109 HD2 LYS 15 2HD LYS 15 -0.225 16.749 -11.806 110 HD3 LYS 15 3HD LYS 15 -1.647 15.765 -12.160 111 HE2 LYS 15 2HE LYS 15 -2.494 16.315 -9.874 112 HE3 LYS 15 3HE LYS 15 -1.142 17.432 -9.699 113 HZ1 LYS 15 1HZ LYS 15 -2.383 18.953 -10.693 114 HZ2 LYS 15 2HZ LYS 15 -3.615 17.837 -11.001 115 HZ3 LYS 15 3HZ LYS 15 -2.356 18.035 -12.113 116 H TYR 16 H TYR 16 0.619 13.473 -7.324 117 HA TYR 16 HA TYR 16 0.456 10.794 -8.541 118 HB2 TYR 16 2HB TYR 16 0.528 9.868 -6.286 119 HB3 TYR 16 3HB TYR 16 1.930 10.895 -6.566 120 HD1 TYR 16 HD1 TYR 16 1.906 13.248 -5.616 121 HD2 TYR 16 HD2 TYR 16 -0.929 10.283 -4.488 122 HE1 TYR 16 HE1 TYR 16 1.372 14.538 -3.592 123 HE2 TYR 16 HE2 TYR 16 -1.473 11.566 -2.461 124 HH TYR 16 HH TYR 16 -1.293 13.676 -1.514 125 H LYS 17 H LYS 17 -1.390 9.469 -7.800 126 HA LYS 17 HA LYS 17 -3.761 11.110 -7.199 127 HB2 LYS 17 2HB LYS 17 -3.713 10.467 -9.583 128 HB3 LYS 17 3HB LYS 17 -3.625 8.773 -9.115 129 HG2 LYS 17 2HG LYS 17 -5.819 9.017 -7.993 130 HG3 LYS 17 3HG LYS 17 -5.909 10.668 -8.611 131 HD2 LYS 17 2HD LYS 17 -5.397 8.437 -10.523 132 HD3 LYS 17 3HD LYS 17 -7.034 8.673 -9.906 133 HE2 LYS 17 2HE LYS 17 -5.491 10.986 -11.010 134 HE3 LYS 17 3HE LYS 17 -6.295 9.859 -12.101 135 HZ1 LYS 17 1HZ LYS 17 -8.045 10.630 -10.015 136 HZ2 LYS 17 2HZ LYS 17 -8.231 10.821 -11.685 137 HZ3 LYS 17 3HZ LYS 17 -7.428 12.005 -10.782 138 H ILE 18 H ILE 18 -5.151 10.324 -5.702 139 HA ILE 18 HA ILE 18 -4.676 7.601 -4.687 140 HB ILE 18 HB ILE 18 -5.174 10.058 -3.001 141 HG12 ILE 18 2HG1 ILE 18 -2.748 8.310 -3.422 142 HG13 ILE 18 3HG1 ILE 18 -2.890 10.043 -3.698 143 HG21 ILE 18 1HG2 ILE 18 -4.949 8.555 -1.085 144 HG22 ILE 18 2HG2 ILE 18 -6.312 8.099 -2.106 145 HG23 ILE 18 3HG2 ILE 18 -4.810 7.179 -2.180 146 HD11 ILE 18 1HD1 ILE 18 -3.179 10.359 -1.265 147 HD12 ILE 18 2HD1 ILE 18 -2.896 8.632 -1.043 148 HD13 ILE 18 3HD1 ILE 18 -1.623 9.657 -1.705 149 H ASP 19 H ASP 19 -6.471 6.496 -3.908 150 HA ASP 19 HA ASP 19 -8.886 6.833 -5.170 151 HB2 ASP 19 2HB ASP 19 -8.166 5.463 -2.590 152 HB3 ASP 19 3HB ASP 19 -9.822 5.461 -3.192 153 H GLY 20 H GLY 20 -10.361 8.385 -5.077 154 HA2 GLY 20 2HA GLY 20 -12.064 9.489 -3.732 155 HA3 GLY 20 3HA GLY 20 -10.851 9.691 -2.476 156 H LYS 21 H LYS 21 -9.023 11.130 -2.968 157 HA LYS 21 HA LYS 21 -9.751 13.227 -4.903 158 HB2 LYS 21 2HB LYS 21 -8.876 13.498 -2.040 159 HB3 LYS 21 3HB LYS 21 -8.619 14.803 -3.191 160 HG2 LYS 21 2HG LYS 21 -11.291 13.579 -2.536 161 HG3 LYS 21 3HG LYS 21 -10.667 15.087 -1.863 162 HD2 LYS 21 2HD LYS 21 -11.203 14.528 -4.780 163 HD3 LYS 21 3HD LYS 21 -12.195 15.524 -3.713 164 HE2 LYS 21 2HE LYS 21 -9.839 16.731 -3.351 165 HE3 LYS 21 3HE LYS 21 -9.579 16.103 -4.977 166 HZ1 LYS 21 1HZ LYS 21 -11.900 17.144 -5.406 167 HZ2 LYS 21 2HZ LYS 21 -10.527 18.132 -5.400 168 HZ3 LYS 21 3HZ LYS 21 -11.540 18.084 -4.046 169 H THR 22 H THR 22 -8.025 14.359 -5.868 170 HA THR 22 HA THR 22 -5.501 12.862 -5.846 171 HB THR 22 HB THR 22 -6.583 14.818 -7.883 172 HG1 THR 22 HG1 THR 22 -7.547 12.667 -7.783 173 HG21 THR 22 1HG2 THR 22 -4.676 14.121 -9.269 174 HG22 THR 22 2HG2 THR 22 -4.057 13.162 -7.924 175 HG23 THR 22 3HG2 THR 22 -4.148 14.918 -7.787 176 H TYR 23 H TYR 23 -3.553 13.826 -5.443 177 HA TYR 23 HA TYR 23 -3.552 16.692 -4.801 178 HB2 TYR 23 2HB TYR 23 -1.953 14.827 -3.098 179 HB3 TYR 23 3HB TYR 23 -2.609 16.413 -2.708 180 HD1 TYR 23 HD1 TYR 23 -4.736 16.639 -1.687 181 HD2 TYR 23 HD2 TYR 23 -3.490 12.848 -3.165 182 HE1 TYR 23 HE1 TYR 23 -6.640 15.576 -0.549 183 HE2 TYR 23 HE2 TYR 23 -5.391 11.775 -2.032 184 HH TYR 23 HH TYR 23 -7.261 13.349 0.310 185 H LEU 24 H LEU 24 -1.235 17.491 -4.500 186 HA LEU 24 HA LEU 24 0.414 16.309 -6.628 187 HB2 LEU 24 2HB LEU 24 -0.387 18.679 -6.852 188 HB3 LEU 24 3HB LEU 24 0.621 19.079 -5.463 189 HG LEU 24 HG LEU 24 2.553 18.114 -6.900 190 HD11 LEU 24 1HD1 LEU 24 0.604 18.832 -9.082 191 HD12 LEU 24 2HD1 LEU 24 1.033 17.183 -8.629 192 HD13 LEU 24 3HD1 LEU 24 2.265 18.268 -9.273 193 HD21 LEU 24 1HD2 LEU 24 2.253 20.477 -6.239 194 HD22 LEU 24 2HD2 LEU 24 1.264 20.728 -7.677 195 HD23 LEU 24 3HD2 LEU 24 2.967 20.296 -7.841 196 H ALA 25 H ALA 25 2.661 16.074 -6.334 197 HA ALA 25 HA ALA 25 3.557 16.148 -3.527 198 HB1 ALA 25 1HB ALA 25 5.049 14.148 -4.381 199 HB2 ALA 25 2HB ALA 25 3.405 13.884 -3.797 200 HB3 ALA 25 3HB ALA 25 3.724 13.956 -5.530 201 H LYS 26 H LYS 26 5.790 16.537 -3.179 202 HA LYS 26 HA LYS 26 7.104 17.891 -5.441 203 HB2 LYS 26 2HB LYS 26 6.661 19.488 -3.738 204 HB3 LYS 26 3HB LYS 26 7.213 18.399 -2.472 205 HG2 LYS 26 2HG LYS 26 8.816 20.191 -2.913 206 HG3 LYS 26 3HG LYS 26 9.497 18.598 -3.252 207 HD2 LYS 26 2HD LYS 26 9.909 19.168 -5.363 208 HD3 LYS 26 3HD LYS 26 8.229 19.654 -5.605 209 HE2 LYS 26 2HE LYS 26 9.504 21.581 -6.043 210 HE3 LYS 26 3HE LYS 26 8.846 21.818 -4.425 211 HZ1 LYS 26 1HZ LYS 26 10.899 21.406 -3.448 212 HZ2 LYS 26 2HZ LYS 26 11.297 22.336 -4.803 213 HZ3 LYS 26 3HZ LYS 26 11.533 20.661 -4.829 214 H CYS 27 H CYS 27 9.227 17.455 -5.920 215 HA CYS 27 HA CYS 27 10.400 15.144 -4.518 216 HB2 CYS 27 2HB CYS 27 10.338 15.949 -7.392 217 HB3 CYS 27 3HB CYS 27 11.748 15.076 -6.802 218 HA PRO 28 HA PRO 28 13.967 17.437 -3.398 219 HB2 PRO 28 2HB PRO 28 15.978 15.666 -3.835 220 HB3 PRO 28 3HB PRO 28 14.824 15.500 -2.506 221 HG2 PRO 28 2HG PRO 28 14.856 14.134 -5.170 222 HG3 PRO 28 3HG PRO 28 14.518 13.454 -3.567 223 HD2 PRO 28 2HD PRO 28 12.557 14.102 -5.318 224 HD3 PRO 28 3HD PRO 28 12.346 14.225 -3.560 225 H SER 29 H SER 29 15.561 18.756 -4.212 226 HA SER 29 HA SER 29 15.636 19.050 -7.077 227 HB2 SER 29 2HB SER 29 17.308 20.595 -5.099 228 HB3 SER 29 3HB SER 29 16.751 21.105 -6.693 229 HG SER 29 HG SER 29 15.579 21.537 -4.388 230 H ALA 30 H ALA 30 17.292 17.140 -4.944 231 HA ALA 30 HA ALA 30 19.963 17.295 -5.590 232 HB1 ALA 30 1HB ALA 30 18.277 15.441 -4.295 233 HB2 ALA 30 2HB ALA 30 19.243 14.537 -5.462 234 HB3 ALA 30 3HB ALA 30 20.038 15.534 -4.244 235 H ALA 31 H ALA 31 21.112 17.027 -7.386 236 HA ALA 31 HA ALA 31 19.994 16.595 -9.896 237 HB1 ALA 31 1HB ALA 31 22.033 17.639 -10.010 238 HB2 ALA 31 2HB ALA 31 22.777 16.557 -8.832 239 HB3 ALA 31 3HB ALA 31 22.480 15.998 -10.478 240 H ASN 32 H ASN 32 20.956 14.328 -7.483 241 HA ASN 32 HA ASN 32 21.161 12.091 -9.298 242 HB2 ASN 32 2HB ASN 32 21.376 12.453 -6.333 243 HB3 ASN 32 3HB ASN 32 21.125 10.837 -6.988 244 HD21 ASN 32 1HD2 ASN 32 23.366 13.253 -6.294 245 HD22 ASN 32 2HD2 ASN 32 24.741 12.547 -7.066 246 H THR 33 H THR 33 18.710 13.648 -7.436 247 HA THR 33 HA THR 33 16.841 11.455 -8.062 248 HB THR 33 HB THR 33 15.437 12.513 -6.174 249 HG1 THR 33 HG1 THR 33 17.119 14.327 -6.114 250 HG21 THR 33 1HG2 THR 33 16.866 10.341 -6.176 251 HG22 THR 33 2HG2 THR 33 16.299 10.997 -4.640 252 HG23 THR 33 3HG2 THR 33 17.964 11.269 -5.155 253 H LYS 34 H LYS 34 17.710 14.005 -9.522 254 HA LYS 34 HA LYS 34 15.241 15.525 -9.630 255 HB2 LYS 34 2HB LYS 34 17.971 15.807 -10.811 256 HB3 LYS 34 3HB LYS 34 16.630 16.641 -11.583 257 HG2 LYS 34 2HG LYS 34 16.612 17.048 -8.725 258 HG3 LYS 34 3HG LYS 34 18.148 17.539 -9.443 259 HD2 LYS 34 2HD LYS 34 15.628 18.368 -10.792 260 HD3 LYS 34 3HD LYS 34 16.091 19.195 -9.303 261 HE2 LYS 34 2HE LYS 34 18.016 18.835 -11.579 262 HE3 LYS 34 3HE LYS 34 16.889 20.189 -11.525 263 HZ1 LYS 34 1HZ LYS 34 17.852 20.944 -9.500 264 HZ2 LYS 34 2HZ LYS 34 19.118 20.677 -10.590 265 HZ3 LYS 34 3HZ LYS 34 18.814 19.559 -9.357 266 H CYS 35 H CYS 35 14.273 16.016 -11.789 267 HA CYS 35 HA CYS 35 13.985 13.519 -13.293 268 HB2 CYS 35 2HB CYS 35 12.260 15.996 -13.144 269 HB3 CYS 35 3HB CYS 35 11.944 14.651 -14.237 270 H GLU 36 H GLU 36 14.460 13.339 -15.423 271 HA GLU 36 HA GLU 36 15.986 15.515 -16.612 272 HB2 GLU 36 2HB GLU 36 16.647 13.870 -18.295 273 HB3 GLU 36 3HB GLU 36 16.925 13.254 -16.673 274 HG2 GLU 36 2HG GLU 36 14.417 12.336 -17.175 275 HG3 GLU 36 3HG GLU 36 15.145 12.281 -18.779 276 H LYS 37 H LYS 37 12.951 13.849 -17.003 277 HA LYS 37 HA LYS 37 12.114 15.859 -18.937 278 HB2 LYS 37 2HB LYS 37 13.032 13.756 -20.124 279 HB3 LYS 37 3HB LYS 37 11.572 12.964 -19.548 280 HG2 LYS 37 2HG LYS 37 10.598 15.261 -20.684 281 HG3 LYS 37 3HG LYS 37 11.944 14.837 -21.744 282 HD2 LYS 37 2HD LYS 37 10.101 12.659 -20.921 283 HD3 LYS 37 3HD LYS 37 9.498 13.845 -22.082 284 HE2 LYS 37 2HE LYS 37 12.096 12.353 -22.403 285 HE3 LYS 37 3HE LYS 37 10.566 11.811 -23.091 286 HZ1 LYS 37 1HZ LYS 37 12.285 14.018 -23.895 287 HZ2 LYS 37 2HZ LYS 37 10.619 14.295 -23.993 288 HZ3 LYS 37 3HZ LYS 37 11.313 13.004 -24.837 289 H ASP 38 H ASP 38 9.905 16.241 -18.953 290 HA ASP 38 HA ASP 38 8.505 15.609 -16.576 291 HB2 ASP 38 2HB ASP 38 8.163 17.687 -17.912 292 HB3 ASP 38 3HB ASP 38 7.374 16.718 -19.153 293 H GLY 39 H GLY 39 6.683 14.313 -16.243 294 HA2 GLY 39 2HA GLY 39 5.032 12.744 -16.904 295 HA3 GLY 39 3HA GLY 39 5.918 12.480 -18.398 296 H ASN 40 H ASN 40 8.312 12.438 -16.284 297 HA ASN 40 HA ASN 40 8.795 9.707 -16.402 298 HB2 ASN 40 2HB ASN 40 10.112 11.967 -15.379 299 HB3 ASN 40 3HB ASN 40 9.978 10.848 -14.025 300 HD21 ASN 40 1HD2 ASN 40 12.087 11.801 -16.151 301 HD22 ASN 40 2HD2 ASN 40 12.910 10.329 -16.523 302 H LYS 41 H LYS 41 9.275 8.486 -14.173 303 HA LYS 41 HA LYS 41 6.656 8.154 -12.954 304 HB2 LYS 41 2HB LYS 41 8.804 6.429 -13.597 305 HB3 LYS 41 3HB LYS 41 8.649 6.409 -11.845 306 HG2 LYS 41 2HG LYS 41 6.454 5.829 -13.824 307 HG3 LYS 41 3HG LYS 41 7.334 4.640 -12.861 308 HD2 LYS 41 2HD LYS 41 6.496 6.220 -10.885 309 HD3 LYS 41 3HD LYS 41 5.219 6.559 -12.056 310 HE2 LYS 41 2HE LYS 41 6.021 3.873 -10.948 311 HE3 LYS 41 3HE LYS 41 4.515 4.742 -10.655 312 HZ1 LYS 41 1HZ LYS 41 4.530 4.571 -13.327 313 HZ2 LYS 41 2HZ LYS 41 3.757 3.461 -12.310 314 HZ3 LYS 41 3HZ LYS 41 5.299 3.121 -12.916 315 H CYS 42 H CYS 42 6.278 8.198 -10.712 316 HA CYS 42 HA CYS 42 8.377 9.269 -8.993 317 HB2 CYS 42 2HB CYS 42 7.027 11.173 -10.056 318 HB3 CYS 42 3HB CYS 42 5.683 10.616 -9.065 319 H THR 43 H THR 43 7.831 9.165 -6.710 320 HA THR 43 HA THR 43 5.633 7.309 -6.097 321 HB THR 43 HB THR 43 7.867 6.906 -4.308 322 HG1 THR 43 HG1 THR 43 9.427 6.384 -5.689 323 HG21 THR 43 1HG2 THR 43 6.553 5.008 -6.254 324 HG22 THR 43 2HG2 THR 43 5.906 5.407 -4.662 325 HG23 THR 43 3HG2 THR 43 7.461 4.586 -4.802 326 H TYR 44 H TYR 44 4.569 7.655 -4.187 327 HA TYR 44 HA TYR 44 5.577 9.753 -2.404 328 HB2 TYR 44 2HB TYR 44 4.088 11.052 -3.640 329 HB3 TYR 44 3HB TYR 44 2.952 9.725 -3.855 330 HD1 TYR 44 HD1 TYR 44 4.275 12.134 -1.366 331 HD2 TYR 44 HD2 TYR 44 1.158 9.412 -2.356 332 HE1 TYR 44 HE1 TYR 44 2.950 12.971 0.530 333 HE2 TYR 44 HE2 TYR 44 -0.176 10.242 -0.464 334 HH TYR 44 HH TYR 44 1.064 12.017 2.020 335 H ASP 45 H ASP 45 5.543 9.098 -0.365 336 HA ASP 45 HA ASP 45 3.927 6.766 0.348 337 HB2 ASP 45 2HB ASP 45 6.369 6.771 0.849 338 HB3 ASP 45 3HB ASP 45 6.108 8.128 1.942 339 H SER 46 H SER 46 2.003 7.114 1.219 340 HA SER 46 HA SER 46 1.291 9.652 2.361 341 HB2 SER 46 2HB SER 46 -0.926 8.617 2.701 342 HB3 SER 46 3HB SER 46 -0.344 8.381 1.053 343 HG SER 46 HG SER 46 -0.854 6.536 3.021 344 H TYR 47 H TYR 47 2.962 7.085 3.560 345 HA TYR 47 HA TYR 47 1.800 6.962 6.192 346 HB2 TYR 47 2HB TYR 47 2.888 4.987 5.292 347 HB3 TYR 47 3HB TYR 47 4.398 5.869 5.094 348 HD1 TYR 47 HD1 TYR 47 5.994 5.819 6.786 349 HD2 TYR 47 HD2 TYR 47 1.970 4.792 7.708 350 HE1 TYR 47 HE1 TYR 47 6.691 5.142 9.045 351 HE2 TYR 47 HE2 TYR 47 2.655 4.114 9.971 352 HH TYR 47 HH TYR 47 4.323 4.055 11.450 353 H ASN 48 H ASN 48 4.754 8.326 4.768 354 HA ASN 48 HA ASN 48 5.137 9.885 7.237 355 HB2 ASN 48 2HB ASN 48 7.497 10.072 6.602 356 HB3 ASN 48 3HB ASN 48 7.010 8.382 6.707 357 HD21 ASN 48 1HD2 ASN 48 9.146 8.479 5.409 358 HD22 ASN 48 2HD2 ASN 48 8.957 8.478 3.691 359 H ARG 49 H ARG 49 3.901 10.163 4.227 360 HA ARG 49 HA ARG 49 3.352 11.913 2.883 361 HB2 ARG 49 2HB ARG 49 4.355 13.724 5.076 362 HB3 ARG 49 3HB ARG 49 3.146 14.083 3.850 363 HG2 ARG 49 2HG ARG 49 1.842 12.119 4.956 364 HG3 ARG 49 3HG ARG 49 2.902 12.446 6.329 365 HD2 ARG 49 2HD ARG 49 1.067 14.416 4.969 366 HD3 ARG 49 3HD ARG 49 0.817 13.674 6.549 367 HE ARG 49 HE ARG 49 3.277 14.965 6.620 368 HH11 ARG 49 1HH1 ARG 49 -0.085 15.789 6.247 369 HH12 ARG 49 2HH1 ARG 49 0.087 17.361 6.956 370 HH21 ARG 49 1HH2 ARG 49 3.516 17.032 7.556 371 HH22 ARG 49 2HH2 ARG 49 2.136 18.067 7.699 372 H LYS 50 H LYS 50 6.045 10.771 2.830 373 HA LYS 50 HA LYS 50 7.572 13.088 1.843 374 HB2 LYS 50 2HB LYS 50 8.757 11.984 3.617 375 HB3 LYS 50 3HB LYS 50 8.501 10.408 2.879 376 HG2 LYS 50 2HG LYS 50 10.255 10.629 1.510 377 HG3 LYS 50 3HG LYS 50 9.893 12.321 1.159 378 HD2 LYS 50 2HD LYS 50 11.456 13.000 2.589 379 HD3 LYS 50 3HD LYS 50 10.737 12.047 3.889 380 HE2 LYS 50 2HE LYS 50 11.988 10.107 3.237 381 HE3 LYS 50 3HE LYS 50 12.580 10.918 1.788 382 HZ1 LYS 50 1HZ LYS 50 14.220 11.853 2.931 383 HZ2 LYS 50 2HZ LYS 50 13.832 10.822 4.214 384 HZ3 LYS 50 3HZ LYS 50 13.186 12.385 4.160 385 H VAL 51 H VAL 51 8.419 13.070 -0.206 386 HA VAL 51 HA VAL 51 7.349 11.010 -1.995 387 HB VAL 51 HB VAL 51 8.648 13.606 -2.812 388 HG11 VAL 51 1HG1 VAL 51 7.563 13.260 -4.910 389 HG12 VAL 51 2HG1 VAL 51 8.404 11.766 -4.491 390 HG13 VAL 51 3HG1 VAL 51 6.657 11.885 -4.278 391 HG21 VAL 51 1HG2 VAL 51 6.419 14.564 -2.986 392 HG22 VAL 51 2HG2 VAL 51 5.712 13.079 -2.351 393 HG23 VAL 51 3HG2 VAL 51 6.749 14.070 -1.325 394 H LYS 52 H LYS 52 8.616 9.588 -3.014 395 HA LYS 52 HA LYS 52 11.534 9.957 -2.822 396 HB2 LYS 52 2HB LYS 52 10.760 8.078 -1.471 397 HB3 LYS 52 3HB LYS 52 9.936 7.390 -2.863 398 HG2 LYS 52 2HG LYS 52 12.239 7.319 -3.966 399 HG3 LYS 52 3HG LYS 52 12.880 7.599 -2.345 400 HD2 LYS 52 2HD LYS 52 10.967 5.366 -2.995 401 HD3 LYS 52 3HD LYS 52 12.721 5.183 -3.069 402 HE2 LYS 52 2HE LYS 52 12.303 6.343 -0.603 403 HE3 LYS 52 3HE LYS 52 10.938 5.240 -0.766 404 HZ1 LYS 52 1HZ LYS 52 13.661 4.648 -0.237 405 HZ2 LYS 52 2HZ LYS 52 13.144 3.833 -1.626 406 HZ3 LYS 52 3HZ LYS 52 12.314 3.627 -0.167 407 H CYS 53 H CYS 53 12.530 10.280 -4.689 408 HA CYS 53 HA CYS 53 11.479 8.994 -7.110 409 HB2 CYS 53 2HB CYS 53 12.602 11.738 -7.381 410 HB3 CYS 53 3HB CYS 53 11.365 10.930 -8.339 411 H ASP 54 H ASP 54 13.003 8.299 -8.556 412 HA ASP 54 HA ASP 54 15.811 8.959 -8.037 413 HB2 ASP 54 2HB ASP 54 15.795 6.941 -6.899 414 HB3 ASP 54 3HB ASP 54 14.561 6.243 -7.944 415 H PHE 55 H PHE 55 16.923 9.355 -9.843 416 HA PHE 55 HA PHE 55 16.079 8.164 -12.369 417 HB2 PHE 55 2HB PHE 55 16.459 11.150 -12.079 418 HB3 PHE 55 3HB PHE 55 15.989 10.280 -13.537 419 HD1 PHE 55 HD1 PHE 55 13.742 9.419 -13.804 420 HD2 PHE 55 HD2 PHE 55 14.881 11.554 -10.302 421 HE1 PHE 55 HE1 PHE 55 11.372 9.699 -13.207 422 HE2 PHE 55 HE2 PHE 55 12.513 11.836 -9.700 423 HZ PHE 55 HZ PHE 55 10.754 10.907 -11.152 424 H ARG 56 H ARG 56 17.671 8.915 -14.163 425 HA ARG 56 HA ARG 56 20.326 9.580 -13.268 426 HB2 ARG 56 2HB ARG 56 19.537 6.783 -13.855 427 HB3 ARG 56 3HB ARG 56 21.062 7.327 -14.542 428 HG2 ARG 56 2HG ARG 56 21.238 8.208 -11.957 429 HG3 ARG 56 3HG ARG 56 20.369 6.681 -11.787 430 HD2 ARG 56 2HD ARG 56 22.159 5.649 -13.241 431 HD3 ARG 56 3HD ARG 56 23.059 7.153 -13.052 432 HE ARG 56 HE ARG 56 22.538 6.449 -10.503 433 HH11 ARG 56 1HH1 ARG 56 23.889 4.720 -13.206 434 HH12 ARG 56 2HH1 ARG 56 24.886 3.700 -12.222 435 HH21 ARG 56 1HH2 ARG 56 23.845 5.112 -9.197 436 HH22 ARG 56 2HH2 ARG 56 24.859 3.923 -9.942 437 H HIS 57 H HIS 57 21.734 10.104 -14.971 438 HA HIS 57 HA HIS 57 22.227 11.047 -16.985 439 HB2 HIS 57 2HB HIS 57 22.453 8.862 -17.831 440 HB3 HIS 57 3HB HIS 57 20.717 8.569 -17.782 441 HD1 HIS 57 HD1 HIS 57 23.408 9.744 -19.975 442 HD2 HIS 57 HD2 HIS 57 19.259 9.937 -19.874 443 HE1 HIS 57 HE1 HIS 57 22.709 10.410 -22.297 Start of MODEL 6 1 H1 LEU 1 H LEU 1 5.662 -1.662 -2.686 2 HA LEU 1 HA LEU 1 3.608 -1.570 -4.196 3 HB2 LEU 1 2HB LEU 1 1.491 -1.458 -2.996 4 HB3 LEU 1 3HB LEU 1 2.290 -3.011 -2.754 5 HG LEU 1 HG LEU 1 2.673 -0.892 -0.698 6 HD11 LEU 1 1HD1 LEU 1 0.559 -2.025 0.374 7 HD12 LEU 1 2HD1 LEU 1 0.106 -2.266 -1.313 8 HD13 LEU 1 3HD1 LEU 1 0.400 -0.638 -0.703 9 HD21 LEU 1 1HD2 LEU 1 3.701 -2.631 0.229 10 HD22 LEU 1 2HD2 LEU 1 3.080 -3.734 -1.000 11 HD23 LEU 1 3HD2 LEU 1 2.114 -3.374 0.431 12 H GLU 2 H GLU 2 2.348 0.443 -4.344 13 HA GLU 2 HA GLU 2 2.555 2.560 -2.535 14 HB2 GLU 2 2HB GLU 2 4.998 2.088 -3.772 15 HB3 GLU 2 3HB GLU 2 4.311 3.421 -4.690 16 HG2 GLU 2 2HG GLU 2 5.438 4.559 -3.067 17 HG3 GLU 2 3HG GLU 2 3.847 4.422 -2.321 18 H TYR 3 H TYR 3 2.301 4.770 -3.822 19 HA TYR 3 HA TYR 3 0.055 4.327 -5.608 20 HB2 TYR 3 2HB TYR 3 1.155 6.727 -4.171 21 HB3 TYR 3 3HB TYR 3 -0.034 6.913 -5.455 22 HD1 TYR 3 HD1 TYR 3 -2.171 5.361 -5.191 23 HD2 TYR 3 HD2 TYR 3 0.394 6.525 -2.001 24 HE1 TYR 3 HE1 TYR 3 -3.980 4.921 -3.583 25 HE2 TYR 3 HE2 TYR 3 -1.407 6.088 -0.385 26 HH TYR 3 HH TYR 3 -3.468 4.719 -0.251 27 H LYS 4 H LYS 4 -0.084 5.022 -7.717 28 HA LYS 4 HA LYS 4 2.434 5.277 -9.114 29 HB2 LYS 4 2HB LYS 4 -0.418 5.195 -10.115 30 HB3 LYS 4 3HB LYS 4 1.000 5.238 -11.155 31 HG2 LYS 4 2HG LYS 4 0.254 3.057 -9.218 32 HG3 LYS 4 3HG LYS 4 0.186 2.982 -10.980 33 HD2 LYS 4 2HD LYS 4 2.751 3.649 -10.705 34 HD3 LYS 4 3HD LYS 4 2.521 2.839 -9.154 35 HE2 LYS 4 2HE LYS 4 1.372 1.019 -10.700 36 HE3 LYS 4 3HE LYS 4 2.428 1.739 -11.914 37 HZ1 LYS 4 1HZ LYS 4 3.362 -0.200 -10.643 38 HZ2 LYS 4 2HZ LYS 4 3.427 0.808 -9.286 39 HZ3 LYS 4 3HZ LYS 4 4.328 1.189 -10.667 40 H GLY 5 H GLY 5 3.392 7.203 -9.210 41 HA2 GLY 5 2HA GLY 5 1.723 9.531 -9.910 42 HA3 GLY 5 3HA GLY 5 2.913 9.644 -8.622 43 H GLU 6 H GLU 6 2.828 11.258 -10.976 44 HA GLU 6 HA GLU 6 5.236 10.338 -12.400 45 HB2 GLU 6 2HB GLU 6 3.378 12.505 -13.356 46 HB3 GLU 6 3HB GLU 6 4.560 11.595 -14.285 47 HG2 GLU 6 2HG GLU 6 3.216 9.596 -14.108 48 HG3 GLU 6 3HG GLU 6 2.058 10.437 -13.080 49 H CYS 7 H CYS 7 6.629 12.194 -13.210 50 HA CYS 7 HA CYS 7 6.861 14.242 -11.103 51 HB2 CYS 7 2HB CYS 7 9.015 13.709 -10.778 52 HB3 CYS 7 3HB CYS 7 8.696 12.250 -11.709 53 H PHE 8 H PHE 8 8.001 16.230 -11.796 54 HA PHE 8 HA PHE 8 7.213 16.926 -14.541 55 HB2 PHE 8 2HB PHE 8 6.987 18.282 -11.994 56 HB3 PHE 8 3HB PHE 8 7.849 19.281 -13.159 57 HD1 PHE 8 HD1 PHE 8 4.664 17.798 -12.246 58 HD2 PHE 8 HD2 PHE 8 6.757 19.992 -15.233 59 HE1 PHE 8 HE1 PHE 8 2.521 18.444 -13.268 60 HE2 PHE 8 HE2 PHE 8 4.617 20.642 -16.260 61 HZ PHE 8 HZ PHE 8 2.496 19.869 -15.277 62 H THR 9 H THR 9 8.603 18.820 -15.428 63 HA THR 9 HA THR 9 11.110 17.898 -16.073 64 HB THR 9 HB THR 9 11.308 20.724 -16.101 65 HG1 THR 9 HG1 THR 9 9.306 21.369 -16.244 66 HG21 THR 9 1HG2 THR 9 11.727 18.668 -17.817 67 HG22 THR 9 2HG2 THR 9 11.712 20.365 -18.295 68 HG23 THR 9 3HG2 THR 9 10.267 19.377 -18.505 69 H LYS 10 H LYS 10 13.114 19.545 -15.657 70 HA LYS 10 HA LYS 10 14.091 18.928 -13.130 71 HB2 LYS 10 2HB LYS 10 15.090 20.124 -15.431 72 HB3 LYS 10 3HB LYS 10 15.255 21.372 -14.203 73 HG2 LYS 10 2HG LYS 10 17.127 20.387 -13.558 74 HG3 LYS 10 3HG LYS 10 16.155 19.028 -12.987 75 HD2 LYS 10 2HD LYS 10 17.307 17.791 -14.451 76 HD3 LYS 10 3HD LYS 10 16.330 18.573 -15.697 77 HE2 LYS 10 2HE LYS 10 18.911 19.736 -14.680 78 HE3 LYS 10 3HE LYS 10 18.843 18.611 -16.035 79 HZ1 LYS 10 1HZ LYS 10 16.951 20.663 -16.417 80 HZ2 LYS 10 2HZ LYS 10 18.289 20.268 -17.372 81 HZ3 LYS 10 3HZ LYS 10 18.458 21.360 -16.091 82 H ASP 11 H ASP 11 11.626 20.985 -13.776 83 HA ASP 11 HA ASP 11 12.187 23.192 -12.090 84 HB2 ASP 11 2HB ASP 11 10.320 22.844 -13.905 85 HB3 ASP 11 3HB ASP 11 9.390 22.221 -12.545 86 H ASN 12 H ASN 12 11.826 20.007 -11.321 87 HA ASN 12 HA ASN 12 11.563 18.878 -9.364 88 HB2 ASN 12 2HB ASN 12 12.687 21.317 -8.644 89 HB3 ASN 12 3HB ASN 12 11.308 21.151 -7.560 90 HD21 ASN 12 1HD2 ASN 12 13.353 18.631 -8.942 91 HD22 ASN 12 2HD2 ASN 12 13.952 18.041 -7.432 92 H THR 13 H THR 13 9.517 18.091 -9.793 93 HA THR 13 HA THR 13 7.444 18.947 -8.038 94 HB THR 13 HB THR 13 6.053 19.077 -10.487 95 HG1 THR 13 HG1 THR 13 8.395 19.718 -11.112 96 HG21 THR 13 1HG2 THR 13 5.562 20.210 -8.303 97 HG22 THR 13 2HG2 THR 13 5.398 21.248 -9.719 98 HG23 THR 13 3HG2 THR 13 6.826 21.376 -8.693 99 H CYS 14 H CYS 14 5.602 17.533 -8.068 100 HA CYS 14 HA CYS 14 5.730 15.196 -9.796 101 HB2 CYS 14 2HB CYS 14 6.389 15.180 -6.902 102 HB3 CYS 14 3HB CYS 14 5.352 13.879 -7.479 103 H LYS 15 H LYS 15 3.779 14.107 -9.995 104 HA LYS 15 HA LYS 15 1.494 15.280 -8.554 105 HB2 LYS 15 2HB LYS 15 1.594 16.105 -10.882 106 HB3 LYS 15 3HB LYS 15 1.552 14.445 -11.460 107 HG2 LYS 15 2HG LYS 15 -0.658 14.408 -11.364 108 HG3 LYS 15 3HG LYS 15 -0.643 14.919 -9.675 109 HD2 LYS 15 2HD LYS 15 -0.051 17.254 -10.890 110 HD3 LYS 15 3HD LYS 15 -1.047 16.497 -12.135 111 HE2 LYS 15 2HE LYS 15 -2.689 16.010 -10.207 112 HE3 LYS 15 3HE LYS 15 -1.774 17.228 -9.319 113 HZ1 LYS 15 1HZ LYS 15 -3.692 17.563 -11.423 114 HZ2 LYS 15 2HZ LYS 15 -2.258 18.412 -11.715 115 HZ3 LYS 15 3HZ LYS 15 -3.127 18.685 -10.289 116 H TYR 16 H TYR 16 0.638 13.780 -7.285 117 HA TYR 16 HA TYR 16 0.510 11.008 -8.278 118 HB2 TYR 16 2HB TYR 16 0.816 10.191 -6.069 119 HB3 TYR 16 3HB TYR 16 2.041 11.434 -6.298 120 HD1 TYR 16 HD1 TYR 16 -0.431 10.225 -4.125 121 HD2 TYR 16 HD2 TYR 16 1.302 13.854 -5.514 122 HE1 TYR 16 HE1 TYR 16 -1.228 11.373 -2.101 123 HE2 TYR 16 HE2 TYR 16 0.511 15.011 -3.493 124 HH TYR 16 HH TYR 16 -0.210 13.795 -0.839 125 H LYS 17 H LYS 17 -1.356 9.798 -7.796 126 HA LYS 17 HA LYS 17 -3.697 11.435 -7.067 127 HB2 LYS 17 2HB LYS 17 -3.871 10.811 -9.372 128 HB3 LYS 17 3HB LYS 17 -3.444 9.143 -9.015 129 HG2 LYS 17 2HG LYS 17 -5.528 8.733 -7.974 130 HG3 LYS 17 3HG LYS 17 -5.931 10.452 -7.951 131 HD2 LYS 17 2HD LYS 17 -6.709 10.404 -10.051 132 HD3 LYS 17 3HD LYS 17 -5.346 9.440 -10.625 133 HE2 LYS 17 2HE LYS 17 -6.414 7.453 -10.240 134 HE3 LYS 17 3HE LYS 17 -7.391 8.108 -8.927 135 HZ1 LYS 17 1HZ LYS 17 -9.037 8.237 -10.387 136 HZ2 LYS 17 2HZ LYS 17 -8.022 7.870 -11.689 137 HZ3 LYS 17 3HZ LYS 17 -8.189 9.472 -11.173 138 H ILE 18 H ILE 18 -5.081 10.691 -5.537 139 HA ILE 18 HA ILE 18 -4.539 8.029 -4.398 140 HB ILE 18 HB ILE 18 -5.268 10.485 -2.800 141 HG12 ILE 18 2HG1 ILE 18 -2.985 10.653 -3.689 142 HG13 ILE 18 3HG1 ILE 18 -2.967 10.402 -1.947 143 HG21 ILE 18 1HG2 ILE 18 -6.083 8.686 -1.592 144 HG22 ILE 18 2HG2 ILE 18 -4.783 7.616 -2.114 145 HG23 ILE 18 3HG2 ILE 18 -4.460 8.881 -0.929 146 HD11 ILE 18 1HD1 ILE 18 -2.851 7.847 -2.977 147 HD12 ILE 18 2HD1 ILE 18 -1.835 8.794 -4.064 148 HD13 ILE 18 3HD1 ILE 18 -1.504 8.785 -2.332 149 H ASP 19 H ASP 19 -6.306 6.909 -3.544 150 HA ASP 19 HA ASP 19 -8.701 7.050 -4.885 151 HB2 ASP 19 2HB ASP 19 -8.123 5.961 -2.125 152 HB3 ASP 19 3HB ASP 19 -9.643 5.700 -2.978 153 H GLY 20 H GLY 20 -10.243 8.538 -4.933 154 HA2 GLY 20 2HA GLY 20 -12.017 9.685 -3.751 155 HA3 GLY 20 3HA GLY 20 -10.886 9.969 -2.435 156 H LYS 21 H LYS 21 -9.026 11.401 -2.926 157 HA LYS 21 HA LYS 21 -9.720 13.423 -4.951 158 HB2 LYS 21 2HB LYS 21 -8.936 13.794 -2.075 159 HB3 LYS 21 3HB LYS 21 -8.639 15.061 -3.257 160 HG2 LYS 21 2HG LYS 21 -11.332 13.857 -2.656 161 HG3 LYS 21 3HG LYS 21 -10.731 15.386 -2.012 162 HD2 LYS 21 2HD LYS 21 -11.159 14.733 -4.928 163 HD3 LYS 21 3HD LYS 21 -12.197 15.755 -3.930 164 HE2 LYS 21 2HE LYS 21 -9.800 16.938 -3.530 165 HE3 LYS 21 3HE LYS 21 -9.587 16.332 -5.172 166 HZ1 LYS 21 1HZ LYS 21 -12.040 17.421 -5.288 167 HZ2 LYS 21 2HZ LYS 21 -10.618 18.217 -5.741 168 HZ3 LYS 21 3HZ LYS 21 -11.271 18.465 -4.201 169 H THR 22 H THR 22 -7.985 14.521 -5.926 170 HA THR 22 HA THR 22 -5.441 13.066 -5.763 171 HB THR 22 HB THR 22 -6.496 14.894 -7.929 172 HG1 THR 22 HG1 THR 22 -7.401 13.094 -8.563 173 HG21 THR 22 1HG2 THR 22 -4.095 15.074 -7.849 174 HG22 THR 22 2HG2 THR 22 -4.536 14.060 -9.224 175 HG23 THR 22 3HG2 THR 22 -3.926 13.322 -7.743 176 H TYR 23 H TYR 23 -3.521 14.082 -5.357 177 HA TYR 23 HA TYR 23 -3.584 16.978 -4.867 178 HB2 TYR 23 2HB TYR 23 -2.002 15.221 -3.035 179 HB3 TYR 23 3HB TYR 23 -2.675 16.821 -2.743 180 HD1 TYR 23 HD1 TYR 23 -4.825 17.086 -1.784 181 HD2 TYR 23 HD2 TYR 23 -3.525 13.231 -3.030 182 HE1 TYR 23 HE1 TYR 23 -6.748 16.073 -0.633 183 HE2 TYR 23 HE2 TYR 23 -5.445 12.207 -1.883 184 HH TYR 23 HH TYR 23 -7.198 13.636 0.402 185 H LEU 24 H LEU 24 -1.289 17.834 -4.555 186 HA LEU 24 HA LEU 24 0.400 16.634 -6.632 187 HB2 LEU 24 2HB LEU 24 -0.363 19.025 -6.808 188 HB3 LEU 24 3HB LEU 24 0.645 19.373 -5.404 189 HG LEU 24 HG LEU 24 2.574 18.424 -6.835 190 HD11 LEU 24 1HD1 LEU 24 0.845 19.280 -9.122 191 HD12 LEU 24 2HD1 LEU 24 0.845 17.606 -8.567 192 HD13 LEU 24 3HD1 LEU 24 2.341 18.345 -9.140 193 HD21 LEU 24 1HD2 LEU 24 1.278 21.049 -7.567 194 HD22 LEU 24 2HD2 LEU 24 2.969 20.615 -7.821 195 HD23 LEU 24 3HD2 LEU 24 2.336 20.773 -6.182 196 H ALA 25 H ALA 25 2.611 16.289 -6.305 197 HA ALA 25 HA ALA 25 3.472 16.299 -3.485 198 HB1 ALA 25 1HB ALA 25 3.686 14.095 -3.606 199 HB2 ALA 25 2HB ALA 25 3.260 14.104 -5.318 200 HB3 ALA 25 3HB ALA 25 4.939 14.321 -4.826 201 H LYS 26 H LYS 26 5.697 16.658 -3.083 202 HA LYS 26 HA LYS 26 7.070 18.061 -5.278 203 HB2 LYS 26 2HB LYS 26 6.637 19.611 -3.539 204 HB3 LYS 26 3HB LYS 26 7.122 18.468 -2.293 205 HG2 LYS 26 2HG LYS 26 8.791 20.212 -2.608 206 HG3 LYS 26 3HG LYS 26 9.435 18.623 -3.026 207 HD2 LYS 26 2HD LYS 26 9.910 19.306 -5.089 208 HD3 LYS 26 3HD LYS 26 8.246 19.838 -5.340 209 HE2 LYS 26 2HE LYS 26 9.837 21.674 -5.638 210 HE3 LYS 26 3HE LYS 26 8.751 21.969 -4.280 211 HZ1 LYS 26 1HZ LYS 26 11.481 22.086 -4.227 212 HZ2 LYS 26 2HZ LYS 26 11.130 20.613 -3.474 213 HZ3 LYS 26 3HZ LYS 26 10.457 22.047 -2.881 214 H CYS 27 H CYS 27 9.207 17.627 -5.722 215 HA CYS 27 HA CYS 27 10.307 15.228 -4.413 216 HB2 CYS 27 2HB CYS 27 10.322 16.189 -7.233 217 HB3 CYS 27 3HB CYS 27 11.736 15.309 -6.663 218 HA PRO 28 HA PRO 28 13.870 17.388 -3.043 219 HB2 PRO 28 2HB PRO 28 15.874 15.626 -3.544 220 HB3 PRO 28 3HB PRO 28 14.680 15.384 -2.264 221 HG2 PRO 28 2HG PRO 28 14.776 14.203 -5.013 222 HG3 PRO 28 3HG PRO 28 14.384 13.419 -3.471 223 HD2 PRO 28 2HD PRO 28 12.482 14.210 -5.228 224 HD3 PRO 28 3HD PRO 28 12.221 14.215 -3.472 225 H SER 29 H SER 29 15.657 18.615 -3.691 226 HA SER 29 HA SER 29 15.734 19.232 -6.505 227 HB2 SER 29 2HB SER 29 17.693 20.777 -5.475 228 HB3 SER 29 3HB SER 29 15.985 21.211 -5.400 229 HG SER 29 HG SER 29 16.113 21.068 -3.319 230 H ALA 30 H ALA 30 17.363 17.092 -4.482 231 HA ALA 30 HA ALA 30 19.987 17.095 -5.299 232 HB1 ALA 30 1HB ALA 30 19.977 15.358 -3.921 233 HB2 ALA 30 2HB ALA 30 18.219 15.251 -4.020 234 HB3 ALA 30 3HB ALA 30 19.222 14.386 -5.185 235 H ALA 31 H ALA 31 20.993 16.825 -7.177 236 HA ALA 31 HA ALA 31 19.718 16.540 -9.620 237 HB1 ALA 31 1HB ALA 31 21.940 16.099 -10.560 238 HB2 ALA 31 2HB ALA 31 21.965 17.438 -9.412 239 HB3 ALA 31 3HB ALA 31 22.573 15.854 -8.932 240 H ASN 32 H ASN 32 21.114 14.072 -7.520 241 HA ASN 32 HA ASN 32 20.880 11.916 -9.334 242 HB2 ASN 32 2HB ASN 32 22.104 12.190 -6.966 243 HB3 ASN 32 3HB ASN 32 20.635 11.388 -6.417 244 HD21 ASN 32 1HD2 ASN 32 23.532 11.098 -8.301 245 HD22 ASN 32 2HD2 ASN 32 23.466 9.385 -8.514 246 H THR 33 H THR 33 18.601 13.562 -7.339 247 HA THR 33 HA THR 33 16.578 11.506 -7.952 248 HB THR 33 HB THR 33 15.304 12.518 -5.988 249 HG1 THR 33 HG1 THR 33 16.668 14.405 -5.824 250 HG21 THR 33 1HG2 THR 33 17.224 10.501 -6.111 251 HG22 THR 33 2HG2 THR 33 16.016 10.735 -4.847 252 HG23 THR 33 3HG2 THR 33 17.630 11.420 -4.662 253 H LYS 34 H LYS 34 17.556 14.046 -9.368 254 HA LYS 34 HA LYS 34 15.128 15.657 -9.376 255 HB2 LYS 34 2HB LYS 34 17.901 15.982 -10.401 256 HB3 LYS 34 3HB LYS 34 16.621 16.828 -11.260 257 HG2 LYS 34 2HG LYS 34 16.498 17.131 -8.356 258 HG3 LYS 34 3HG LYS 34 17.965 17.781 -9.090 259 HD2 LYS 34 2HD LYS 34 15.412 18.414 -10.444 260 HD3 LYS 34 3HD LYS 34 15.686 19.178 -8.877 261 HE2 LYS 34 2HE LYS 34 17.963 19.239 -10.746 262 HE3 LYS 34 3HE LYS 34 16.556 20.183 -11.230 263 HZ1 LYS 34 1HZ LYS 34 16.889 21.667 -9.603 264 HZ2 LYS 34 2HZ LYS 34 18.474 21.077 -9.598 265 HZ3 LYS 34 3HZ LYS 34 17.354 20.503 -8.467 266 H CYS 35 H CYS 35 14.515 16.443 -11.713 267 HA CYS 35 HA CYS 35 14.257 14.042 -13.405 268 HB2 CYS 35 2HB CYS 35 12.270 16.266 -12.909 269 HB3 CYS 35 3HB CYS 35 12.082 15.049 -14.167 270 H GLU 36 H GLU 36 14.773 14.207 -15.516 271 HA GLU 36 HA GLU 36 15.971 16.708 -16.401 272 HB2 GLU 36 2HB GLU 36 17.042 15.465 -18.088 273 HB3 GLU 36 3HB GLU 36 17.053 14.413 -16.680 274 HG2 GLU 36 2HG GLU 36 16.341 12.893 -18.172 275 HG3 GLU 36 3HG GLU 36 14.768 13.601 -17.809 276 H LYS 37 H LYS 37 13.163 14.751 -16.975 277 HA LYS 37 HA LYS 37 12.115 16.814 -18.756 278 HB2 LYS 37 2HB LYS 37 13.167 14.770 -20.010 279 HB3 LYS 37 3HB LYS 37 11.693 13.947 -19.520 280 HG2 LYS 37 2HG LYS 37 10.357 15.628 -20.668 281 HG3 LYS 37 3HG LYS 37 11.828 16.482 -21.141 282 HD2 LYS 37 2HD LYS 37 12.557 14.505 -22.400 283 HD3 LYS 37 3HD LYS 37 11.072 13.670 -21.938 284 HE2 LYS 37 2HE LYS 37 9.748 15.330 -23.118 285 HE3 LYS 37 3HE LYS 37 11.206 16.233 -23.524 286 HZ1 LYS 37 1HZ LYS 37 10.691 14.979 -25.415 287 HZ2 LYS 37 2HZ LYS 37 10.366 13.578 -24.524 288 HZ3 LYS 37 3HZ LYS 37 11.957 14.132 -24.680 289 H ASP 38 H ASP 38 9.917 17.097 -18.627 290 HA ASP 38 HA ASP 38 8.621 16.178 -16.287 291 HB2 ASP 38 2HB ASP 38 6.821 17.533 -16.915 292 HB3 ASP 38 3HB ASP 38 8.204 18.335 -17.655 293 H GLY 39 H GLY 39 6.867 14.769 -16.030 294 HA2 GLY 39 2HA GLY 39 5.276 13.185 -16.799 295 HA3 GLY 39 3HA GLY 39 6.149 13.088 -18.322 296 H ASN 40 H ASN 40 8.569 12.993 -16.230 297 HA ASN 40 HA ASN 40 9.172 10.299 -16.583 298 HB2 ASN 40 2HB ASN 40 10.396 12.542 -15.376 299 HB3 ASN 40 3HB ASN 40 10.386 11.267 -14.162 300 HD21 ASN 40 1HD2 ASN 40 11.432 12.149 -17.378 301 HD22 ASN 40 2HD2 ASN 40 12.676 10.957 -17.509 302 H LYS 41 H LYS 41 9.781 8.971 -14.427 303 HA LYS 41 HA LYS 41 7.223 8.290 -13.278 304 HB2 LYS 41 2HB LYS 41 9.708 6.961 -13.745 305 HB3 LYS 41 3HB LYS 41 9.326 6.836 -12.033 306 HG2 LYS 41 2HG LYS 41 7.571 5.986 -14.327 307 HG3 LYS 41 3HG LYS 41 8.449 4.930 -13.219 308 HD2 LYS 41 2HD LYS 41 7.068 6.314 -11.419 309 HD3 LYS 41 3HD LYS 41 5.970 6.509 -12.787 310 HE2 LYS 41 2HE LYS 41 6.931 3.936 -11.550 311 HE3 LYS 41 3HE LYS 41 5.288 4.574 -11.560 312 HZ1 LYS 41 1HZ LYS 41 5.132 3.130 -13.279 313 HZ2 LYS 41 2HZ LYS 41 6.772 3.227 -13.681 314 HZ3 LYS 41 3HZ LYS 41 5.713 4.459 -14.151 315 H CYS 42 H CYS 42 6.759 8.196 -11.036 316 HA CYS 42 HA CYS 42 8.559 9.514 -9.182 317 HB2 CYS 42 2HB CYS 42 7.170 11.314 -10.335 318 HB3 CYS 42 3HB CYS 42 5.772 10.618 -9.523 319 H THR 43 H THR 43 7.858 9.328 -6.955 320 HA THR 43 HA THR 43 5.714 7.380 -6.490 321 HB THR 43 HB THR 43 7.900 6.886 -4.673 322 HG1 THR 43 HG1 THR 43 8.898 7.574 -6.869 323 HG21 THR 43 1HG2 THR 43 7.608 4.565 -5.583 324 HG22 THR 43 2HG2 THR 43 6.420 5.223 -6.709 325 HG23 THR 43 3HG2 THR 43 6.129 5.305 -4.972 326 H TYR 44 H TYR 44 4.630 7.609 -4.566 327 HA TYR 44 HA TYR 44 5.578 9.669 -2.702 328 HB2 TYR 44 2HB TYR 44 4.022 10.951 -3.861 329 HB3 TYR 44 3HB TYR 44 2.955 9.582 -4.149 330 HD1 TYR 44 HD1 TYR 44 3.922 12.198 -1.790 331 HD2 TYR 44 HD2 TYR 44 1.398 8.832 -2.423 332 HE1 TYR 44 HE1 TYR 44 2.550 12.873 0.137 333 HE2 TYR 44 HE2 TYR 44 0.018 9.498 -0.499 334 HH TYR 44 HH TYR 44 0.395 12.558 1.063 335 H ASP 45 H ASP 45 5.439 9.080 -0.633 336 HA ASP 45 HA ASP 45 4.084 6.565 -0.004 337 HB2 ASP 45 2HB ASP 45 6.527 7.064 0.616 338 HB3 ASP 45 3HB ASP 45 5.866 8.123 1.859 339 H SER 46 H SER 46 2.187 6.539 0.992 340 HA SER 46 HA SER 46 1.028 9.000 1.967 341 HB2 SER 46 2HB SER 46 -0.565 7.740 0.836 342 HB3 SER 46 3HB SER 46 0.023 6.215 1.497 343 HG SER 46 HG SER 46 -1.853 7.934 2.482 344 H TYR 47 H TYR 47 2.854 6.485 3.279 345 HA TYR 47 HA TYR 47 1.705 6.526 5.919 346 HB2 TYR 47 2HB TYR 47 2.860 4.529 4.948 347 HB3 TYR 47 3HB TYR 47 4.379 5.413 5.047 348 HD1 TYR 47 HD1 TYR 47 1.599 4.048 7.093 349 HD2 TYR 47 HD2 TYR 47 5.610 5.469 7.052 350 HE1 TYR 47 HE1 TYR 47 1.893 3.267 9.407 351 HE2 TYR 47 HE2 TYR 47 5.915 4.690 9.365 352 HH TYR 47 HH TYR 47 4.827 3.962 11.221 353 H ASN 48 H ASN 48 4.598 7.850 4.360 354 HA ASN 48 HA ASN 48 5.092 9.461 6.773 355 HB2 ASN 48 2HB ASN 48 7.300 9.703 5.054 356 HB3 ASN 48 3HB ASN 48 7.214 8.781 6.552 357 HD21 ASN 48 1HD2 ASN 48 7.813 8.624 3.299 358 HD22 ASN 48 2HD2 ASN 48 7.664 6.918 3.073 359 H ARG 49 H ARG 49 3.614 9.689 3.882 360 HA ARG 49 HA ARG 49 3.021 11.383 2.481 361 HB2 ARG 49 2HB ARG 49 3.804 13.221 4.743 362 HB3 ARG 49 3HB ARG 49 2.614 13.516 3.482 363 HG2 ARG 49 2HG ARG 49 1.562 11.306 4.572 364 HG3 ARG 49 3HG ARG 49 2.387 11.972 5.983 365 HD2 ARG 49 2HD ARG 49 1.054 14.093 4.635 366 HD3 ARG 49 3HD ARG 49 -0.086 12.764 4.840 367 HE ARG 49 HE ARG 49 1.405 13.421 7.216 368 HH11 ARG 49 1HH1 ARG 49 -1.441 14.084 5.323 369 HH12 ARG 49 2HH1 ARG 49 -2.344 14.712 6.662 370 HH21 ARG 49 1HH2 ARG 49 0.226 14.246 8.986 371 HH22 ARG 49 2HH2 ARG 49 -1.394 14.805 8.744 372 H LYS 50 H LYS 50 5.823 10.499 2.504 373 HA LYS 50 HA LYS 50 7.144 12.962 1.576 374 HB2 LYS 50 2HB LYS 50 8.538 12.124 3.232 375 HB3 LYS 50 3HB LYS 50 8.177 10.450 2.833 376 HG2 LYS 50 2HG LYS 50 9.700 10.384 1.118 377 HG3 LYS 50 3HG LYS 50 9.635 12.128 0.850 378 HD2 LYS 50 2HD LYS 50 11.657 12.014 1.888 379 HD3 LYS 50 3HD LYS 50 10.631 12.143 3.319 380 HE2 LYS 50 2HE LYS 50 10.768 9.832 3.749 381 HE3 LYS 50 3HE LYS 50 11.412 9.490 2.144 382 HZ1 LYS 50 1HZ LYS 50 12.842 9.946 4.471 383 HZ2 LYS 50 2HZ LYS 50 13.103 11.303 3.495 384 HZ3 LYS 50 3HZ LYS 50 13.458 9.757 2.906 385 H VAL 51 H VAL 51 8.071 13.041 -0.443 386 HA VAL 51 HA VAL 51 7.204 10.950 -2.300 387 HB VAL 51 HB VAL 51 8.386 13.636 -3.001 388 HG11 VAL 51 1HG1 VAL 51 8.351 11.782 -4.711 389 HG12 VAL 51 2HG1 VAL 51 6.589 11.863 -4.640 390 HG13 VAL 51 3HG1 VAL 51 7.517 13.265 -5.174 391 HG21 VAL 51 1HG2 VAL 51 6.345 13.870 -1.610 392 HG22 VAL 51 2HG2 VAL 51 6.147 14.486 -3.251 393 HG23 VAL 51 3HG2 VAL 51 5.462 12.922 -2.807 394 H LYS 52 H LYS 52 8.581 9.582 -3.234 395 HA LYS 52 HA LYS 52 11.466 10.119 -2.961 396 HB2 LYS 52 2HB LYS 52 10.840 8.224 -1.606 397 HB3 LYS 52 3HB LYS 52 9.975 7.491 -2.950 398 HG2 LYS 52 2HG LYS 52 12.138 6.420 -2.532 399 HG3 LYS 52 3HG LYS 52 12.048 7.140 -4.142 400 HD2 LYS 52 2HD LYS 52 13.764 8.502 -3.718 401 HD3 LYS 52 3HD LYS 52 13.067 9.014 -2.180 402 HE2 LYS 52 2HE LYS 52 14.082 7.255 -1.009 403 HE3 LYS 52 3HE LYS 52 14.418 6.351 -2.485 404 HZ1 LYS 52 1HZ LYS 52 15.683 8.952 -1.822 405 HZ2 LYS 52 2HZ LYS 52 16.094 7.908 -3.088 406 HZ3 LYS 52 3HZ LYS 52 16.388 7.451 -1.486 407 H CYS 53 H CYS 53 12.423 10.577 -4.820 408 HA CYS 53 HA CYS 53 11.441 9.267 -7.270 409 HB2 CYS 53 2HB CYS 53 12.726 11.984 -7.296 410 HB3 CYS 53 3HB CYS 53 11.699 11.237 -8.515 411 H ASP 54 H ASP 54 12.948 8.474 -8.681 412 HA ASP 54 HA ASP 54 15.782 8.908 -8.077 413 HB2 ASP 54 2HB ASP 54 15.609 6.890 -6.967 414 HB3 ASP 54 3HB ASP 54 14.319 6.304 -8.013 415 H PHE 55 H PHE 55 17.182 8.635 -9.830 416 HA PHE 55 HA PHE 55 15.879 8.236 -12.441 417 HB2 PHE 55 2HB PHE 55 17.267 10.569 -11.439 418 HB3 PHE 55 3HB PHE 55 18.063 9.937 -12.877 419 HD1 PHE 55 HD1 PHE 55 17.497 11.244 -14.677 420 HD2 PHE 55 HD2 PHE 55 14.475 10.154 -11.884 421 HE1 PHE 55 HE1 PHE 55 15.801 12.329 -16.093 422 HE2 PHE 55 HE2 PHE 55 12.775 11.237 -13.295 423 HZ PHE 55 HZ PHE 55 13.437 12.325 -15.403 424 H ARG 56 H ARG 56 16.682 6.506 -13.411 425 HA ARG 56 HA ARG 56 19.570 6.027 -13.312 426 HB2 ARG 56 2HB ARG 56 17.414 4.162 -12.415 427 HB3 ARG 56 3HB ARG 56 18.840 3.493 -13.196 428 HG2 ARG 56 2HG ARG 56 19.131 5.394 -10.910 429 HG3 ARG 56 3HG ARG 56 18.770 3.691 -10.621 430 HD2 ARG 56 2HD ARG 56 20.914 3.188 -10.891 431 HD3 ARG 56 3HD ARG 56 20.861 3.829 -12.532 432 HE ARG 56 HE ARG 56 21.149 5.890 -10.580 433 HH11 ARG 56 1HH1 ARG 56 22.878 3.452 -12.365 434 HH12 ARG 56 2HH1 ARG 56 24.398 4.278 -12.275 435 HH21 ARG 56 1HH2 ARG 56 23.145 6.988 -10.455 436 HH22 ARG 56 2HH2 ARG 56 24.549 6.289 -11.188 437 H HIS 57 H HIS 57 20.415 4.937 -15.106 438 HA HIS 57 HA HIS 57 20.576 4.346 -17.297 439 HB2 HIS 57 2HB HIS 57 18.248 3.048 -16.318 440 HB3 HIS 57 3HB HIS 57 17.874 3.646 -17.932 441 HD1 HIS 57 HD1 HIS 57 19.424 0.871 -16.228 442 HD2 HIS 57 HD2 HIS 57 19.884 2.735 -19.912 443 HE1 HIS 57 HE1 HIS 57 20.662 -0.779 -17.667 Start of MODEL 7 1 H1 LEU 1 H LEU 1 5.852 -0.304 0.128 2 HA LEU 1 HA LEU 1 4.286 -0.900 -2.041 3 HB2 LEU 1 2HB LEU 1 2.736 -0.609 0.459 4 HB3 LEU 1 3HB LEU 1 2.105 0.227 -0.958 5 HG LEU 1 HG LEU 1 2.142 -1.975 -2.160 6 HD11 LEU 1 1HD1 LEU 1 2.098 -3.968 -0.566 7 HD12 LEU 1 2HD1 LEU 1 2.916 -2.911 0.584 8 HD13 LEU 1 3HD1 LEU 1 3.672 -3.280 -0.966 9 HD21 LEU 1 1HD2 LEU 1 0.418 -1.378 0.200 10 HD22 LEU 1 2HD2 LEU 1 0.207 -2.901 -0.664 11 HD23 LEU 1 3HD2 LEU 1 0.019 -1.369 -1.518 12 H GLU 2 H GLU 2 2.995 1.109 -2.830 13 HA GLU 2 HA GLU 2 3.484 3.658 -1.803 14 HB2 GLU 2 2HB GLU 2 5.745 2.497 -3.156 15 HB3 GLU 2 3HB GLU 2 5.169 3.898 -4.049 16 HG2 GLU 2 2HG GLU 2 5.829 5.348 -2.468 17 HG3 GLU 2 3HG GLU 2 5.399 4.268 -1.144 18 H TYR 3 H TYR 3 2.765 5.356 -3.211 19 HA TYR 3 HA TYR 3 0.783 4.424 -5.096 20 HB2 TYR 3 2HB TYR 3 1.472 7.105 -3.922 21 HB3 TYR 3 3HB TYR 3 0.356 6.971 -5.277 22 HD1 TYR 3 HD1 TYR 3 0.553 7.166 -1.813 23 HD2 TYR 3 HD2 TYR 3 -1.528 5.090 -4.889 24 HE1 TYR 3 HE1 TYR 3 -1.281 6.692 -0.244 25 HE2 TYR 3 HE2 TYR 3 -3.368 4.612 -3.329 26 HH TYR 3 HH TYR 3 -3.256 5.728 0.043 27 H LYS 4 H LYS 4 0.716 4.835 -7.281 28 HA LYS 4 HA LYS 4 3.277 5.254 -8.553 29 HB2 LYS 4 2HB LYS 4 0.540 4.691 -9.706 30 HB3 LYS 4 3HB LYS 4 2.022 4.778 -10.649 31 HG2 LYS 4 2HG LYS 4 1.376 2.779 -8.492 32 HG3 LYS 4 3HG LYS 4 1.458 2.478 -10.229 33 HD2 LYS 4 2HD LYS 4 3.896 3.437 -9.937 34 HD3 LYS 4 3HD LYS 4 3.656 2.921 -8.266 35 HE2 LYS 4 2HE LYS 4 3.388 0.676 -8.881 36 HE3 LYS 4 3HE LYS 4 3.099 1.083 -10.572 37 HZ1 LYS 4 1HZ LYS 4 5.366 1.621 -10.875 38 HZ2 LYS 4 2HZ LYS 4 5.340 0.136 -10.066 39 HZ3 LYS 4 3HZ LYS 4 5.692 1.555 -9.216 40 H GLY 5 H GLY 5 3.989 7.274 -8.800 41 HA2 GLY 5 2HA GLY 5 2.123 9.250 -9.938 42 HA3 GLY 5 3HA GLY 5 3.127 9.678 -8.561 43 H GLU 6 H GLU 6 3.132 11.013 -11.066 44 HA GLU 6 HA GLU 6 5.763 10.262 -12.150 45 HB2 GLU 6 2HB GLU 6 3.821 12.127 -13.490 46 HB3 GLU 6 3HB GLU 6 5.158 11.240 -14.207 47 HG2 GLU 6 2HG GLU 6 2.552 10.110 -13.221 48 HG3 GLU 6 3HG GLU 6 3.098 10.237 -14.892 49 H CYS 7 H CYS 7 7.055 12.167 -12.976 50 HA CYS 7 HA CYS 7 6.813 14.437 -11.111 51 HB2 CYS 7 2HB CYS 7 9.011 14.319 -10.550 52 HB3 CYS 7 3HB CYS 7 8.818 12.631 -11.012 53 H PHE 8 H PHE 8 8.130 16.374 -11.919 54 HA PHE 8 HA PHE 8 7.571 16.718 -14.789 55 HB2 PHE 8 2HB PHE 8 7.510 18.649 -12.480 56 HB3 PHE 8 3HB PHE 8 7.615 19.213 -14.144 57 HD1 PHE 8 HD1 PHE 8 5.613 16.711 -12.225 58 HD2 PHE 8 HD2 PHE 8 5.636 19.872 -15.075 59 HE1 PHE 8 HE1 PHE 8 3.167 16.536 -12.433 60 HE2 PHE 8 HE2 PHE 8 3.190 19.703 -15.287 61 HZ PHE 8 HZ PHE 8 1.953 18.034 -13.965 62 H THR 9 H THR 9 8.970 18.620 -15.705 63 HA THR 9 HA THR 9 11.559 17.767 -16.009 64 HB THR 9 HB THR 9 11.539 20.639 -16.182 65 HG1 THR 9 HG1 THR 9 9.634 21.031 -17.048 66 HG21 THR 9 1HG2 THR 9 12.490 18.498 -17.619 67 HG22 THR 9 2HG2 THR 9 12.521 20.181 -18.147 68 HG23 THR 9 3HG2 THR 9 11.207 19.120 -18.656 69 H LYS 10 H LYS 10 13.445 19.543 -15.523 70 HA LYS 10 HA LYS 10 14.201 19.140 -12.886 71 HB2 LYS 10 2HB LYS 10 15.314 20.338 -15.165 72 HB3 LYS 10 3HB LYS 10 15.352 21.582 -13.923 73 HG2 LYS 10 2HG LYS 10 17.291 20.634 -13.345 74 HG3 LYS 10 3HG LYS 10 16.272 19.436 -12.541 75 HD2 LYS 10 2HD LYS 10 17.194 17.875 -13.831 76 HD3 LYS 10 3HD LYS 10 16.426 18.637 -15.226 77 HE2 LYS 10 2HE LYS 10 18.345 19.627 -15.909 78 HE3 LYS 10 3HE LYS 10 18.923 19.887 -14.264 79 HZ1 LYS 10 1HZ LYS 10 19.531 17.565 -14.131 80 HZ2 LYS 10 2HZ LYS 10 20.282 18.279 -15.468 81 HZ3 LYS 10 3HZ LYS 10 18.934 17.281 -15.688 82 H ASP 11 H ASP 11 11.702 21.012 -13.888 83 HA ASP 11 HA ASP 11 11.970 23.328 -12.279 84 HB2 ASP 11 2HB ASP 11 10.219 22.526 -14.219 85 HB3 ASP 11 3HB ASP 11 9.229 22.378 -12.770 86 H ASN 12 H ASN 12 11.689 20.167 -11.382 87 HA ASN 12 HA ASN 12 11.247 19.109 -9.418 88 HB2 ASN 12 2HB ASN 12 12.237 21.624 -8.714 89 HB3 ASN 12 3HB ASN 12 10.797 21.420 -7.721 90 HD21 ASN 12 1HD2 ASN 12 12.993 18.929 -8.890 91 HD22 ASN 12 2HD2 ASN 12 13.533 18.418 -7.330 92 H THR 13 H THR 13 9.271 18.233 -9.909 93 HA THR 13 HA THR 13 7.031 19.190 -8.424 94 HB THR 13 HB THR 13 6.066 19.000 -11.151 95 HG1 THR 13 HG1 THR 13 7.605 21.320 -10.668 96 HG21 THR 13 1HG2 THR 13 5.786 21.560 -9.794 97 HG22 THR 13 2HG2 THR 13 5.333 20.197 -8.770 98 HG23 THR 13 3HG2 THR 13 4.547 20.426 -10.331 99 H CYS 14 H CYS 14 5.346 17.673 -8.296 100 HA CYS 14 HA CYS 14 5.577 15.214 -9.840 101 HB2 CYS 14 2HB CYS 14 6.126 15.448 -6.919 102 HB3 CYS 14 3HB CYS 14 5.247 14.029 -7.479 103 H LYS 15 H LYS 15 3.667 14.084 -10.030 104 HA LYS 15 HA LYS 15 1.329 15.168 -8.611 105 HB2 LYS 15 2HB LYS 15 1.206 16.151 -10.781 106 HB3 LYS 15 3HB LYS 15 1.612 14.631 -11.566 107 HG2 LYS 15 2HG LYS 15 -0.516 14.005 -11.645 108 HG3 LYS 15 3HG LYS 15 -0.767 14.385 -9.940 109 HD2 LYS 15 2HD LYS 15 -0.511 16.773 -11.573 110 HD3 LYS 15 3HD LYS 15 -1.839 15.739 -12.106 111 HE2 LYS 15 2HE LYS 15 -1.768 15.959 -9.226 112 HE3 LYS 15 3HE LYS 15 -1.854 17.548 -9.983 113 HZ1 LYS 15 1HZ LYS 15 -4.015 16.244 -9.474 114 HZ2 LYS 15 2HZ LYS 15 -3.651 15.408 -10.899 115 HZ3 LYS 15 3HZ LYS 15 -3.876 17.085 -10.935 116 H TYR 16 H TYR 16 0.617 13.566 -7.368 117 HA TYR 16 HA TYR 16 0.651 10.826 -8.442 118 HB2 TYR 16 2HB TYR 16 0.671 10.032 -6.158 119 HB3 TYR 16 3HB TYR 16 1.965 11.208 -6.364 120 HD1 TYR 16 HD1 TYR 16 1.530 13.601 -5.571 121 HD2 TYR 16 HD2 TYR 16 -0.928 10.307 -4.471 122 HE1 TYR 16 HE1 TYR 16 0.669 14.889 -3.661 123 HE2 TYR 16 HE2 TYR 16 -1.797 11.586 -2.559 124 HH TYR 16 HH TYR 16 -0.375 14.491 -1.493 125 H LYS 17 H LYS 17 -1.163 9.450 -7.970 126 HA LYS 17 HA LYS 17 -3.674 10.954 -7.621 127 HB2 LYS 17 2HB LYS 17 -3.460 10.103 -9.890 128 HB3 LYS 17 3HB LYS 17 -3.138 8.485 -9.282 129 HG2 LYS 17 2HG LYS 17 -5.404 8.444 -8.299 130 HG3 LYS 17 3HG LYS 17 -5.715 10.022 -9.026 131 HD2 LYS 17 2HD LYS 17 -4.728 7.862 -10.806 132 HD3 LYS 17 3HD LYS 17 -6.390 7.742 -10.224 133 HE2 LYS 17 2HE LYS 17 -5.875 10.424 -11.067 134 HE3 LYS 17 3HE LYS 17 -5.387 9.313 -12.346 135 HZ1 LYS 17 1HZ LYS 17 -7.499 8.674 -12.719 136 HZ2 LYS 17 2HZ LYS 17 -7.876 10.174 -12.034 137 HZ3 LYS 17 3HZ LYS 17 -7.952 8.771 -11.092 138 H ILE 18 H ILE 18 -5.147 10.231 -6.169 139 HA ILE 18 HA ILE 18 -4.559 7.702 -4.779 140 HB ILE 18 HB ILE 18 -5.558 10.225 -3.455 141 HG12 ILE 18 2HG1 ILE 18 -3.201 10.422 -4.133 142 HG13 ILE 18 3HG1 ILE 18 -3.358 10.327 -2.382 143 HG21 ILE 18 1HG2 ILE 18 -4.761 8.704 -1.428 144 HG22 ILE 18 2HG2 ILE 18 -6.394 8.613 -2.087 145 HG23 ILE 18 3HG2 ILE 18 -5.183 7.423 -2.564 146 HD11 ILE 18 1HD1 ILE 18 -3.039 7.697 -3.175 147 HD12 ILE 18 2HD1 ILE 18 -1.935 8.605 -4.208 148 HD13 ILE 18 3HD1 ILE 18 -1.815 8.741 -2.453 149 H ASP 19 H ASP 19 -6.329 6.529 -4.017 150 HA ASP 19 HA ASP 19 -8.596 6.435 -5.570 151 HB2 ASP 19 2HB ASP 19 -8.046 4.566 -4.182 152 HB3 ASP 19 3HB ASP 19 -8.171 5.538 -2.719 153 H GLY 20 H GLY 20 -10.201 7.826 -5.853 154 HA2 GLY 20 2HA GLY 20 -12.140 8.930 -4.919 155 HA3 GLY 20 3HA GLY 20 -11.165 9.346 -3.517 156 H LYS 21 H LYS 21 -9.330 10.848 -3.917 157 HA LYS 21 HA LYS 21 -9.932 12.727 -6.103 158 HB2 LYS 21 2HB LYS 21 -9.437 13.286 -3.192 159 HB3 LYS 21 3HB LYS 21 -9.104 14.507 -4.413 160 HG2 LYS 21 2HG LYS 21 -11.771 13.176 -3.984 161 HG3 LYS 21 3HG LYS 21 -11.316 14.769 -3.374 162 HD2 LYS 21 2HD LYS 21 -11.444 13.946 -6.275 163 HD3 LYS 21 3HD LYS 21 -12.619 14.956 -5.429 164 HE2 LYS 21 2HE LYS 21 -10.339 16.298 -4.890 165 HE3 LYS 21 3HE LYS 21 -9.938 15.615 -6.465 166 HZ1 LYS 21 1HZ LYS 21 -12.139 17.459 -5.771 167 HZ2 LYS 21 2HZ LYS 21 -12.180 16.537 -7.188 168 HZ3 LYS 21 3HZ LYS 21 -10.931 17.650 -6.940 169 H THR 22 H THR 22 -8.168 13.883 -6.960 170 HA THR 22 HA THR 22 -5.584 12.568 -6.504 171 HB THR 22 HB THR 22 -6.515 14.266 -8.827 172 HG1 THR 22 HG1 THR 22 -7.111 12.418 -9.660 173 HG21 THR 22 1HG2 THR 22 -3.923 12.762 -8.444 174 HG22 THR 22 2HG2 THR 22 -4.109 14.516 -8.428 175 HG23 THR 22 3HG2 THR 22 -4.421 13.609 -9.908 176 H TYR 23 H TYR 23 -3.757 13.693 -5.970 177 HA TYR 23 HA TYR 23 -4.009 16.596 -5.586 178 HB2 TYR 23 2HB TYR 23 -2.518 14.946 -3.578 179 HB3 TYR 23 3HB TYR 23 -3.233 16.543 -3.394 180 HD1 TYR 23 HD1 TYR 23 -4.023 12.934 -3.649 181 HD2 TYR 23 HD2 TYR 23 -5.444 16.803 -2.594 182 HE1 TYR 23 HE1 TYR 23 -6.013 11.917 -2.622 183 HE2 TYR 23 HE2 TYR 23 -7.437 15.797 -1.563 184 HH TYR 23 HH TYR 23 -7.745 12.350 -1.138 185 H LEU 24 H LEU 24 -1.807 17.597 -5.139 186 HA LEU 24 HA LEU 24 0.136 16.387 -6.980 187 HB2 LEU 24 2HB LEU 24 -0.800 19.080 -6.516 188 HB3 LEU 24 3HB LEU 24 0.955 18.986 -6.385 189 HG LEU 24 HG LEU 24 -0.174 17.666 -8.755 190 HD11 LEU 24 1HD1 LEU 24 -0.122 20.658 -8.773 191 HD12 LEU 24 2HD1 LEU 24 -1.585 19.780 -8.328 192 HD13 LEU 24 3HD1 LEU 24 -0.867 19.547 -9.922 193 HD21 LEU 24 1HD2 LEU 24 1.797 19.758 -9.125 194 HD22 LEU 24 2HD2 LEU 24 1.884 18.041 -9.518 195 HD23 LEU 24 3HD2 LEU 24 2.286 18.595 -7.892 196 H ALA 25 H ALA 25 2.353 16.335 -6.446 197 HA ALA 25 HA ALA 25 2.970 16.708 -3.591 198 HB1 ALA 25 1HB ALA 25 4.546 14.657 -4.019 199 HB2 ALA 25 2HB ALA 25 2.845 14.418 -3.616 200 HB3 ALA 25 3HB ALA 25 3.380 14.297 -5.292 201 H LYS 26 H LYS 26 5.144 17.214 -3.098 202 HA LYS 26 HA LYS 26 6.611 18.370 -5.369 203 HB2 LYS 26 2HB LYS 26 6.085 20.070 -3.803 204 HB3 LYS 26 3HB LYS 26 6.541 19.059 -2.437 205 HG2 LYS 26 2HG LYS 26 8.192 20.799 -2.858 206 HG3 LYS 26 3HG LYS 26 8.877 19.189 -3.093 207 HD2 LYS 26 2HD LYS 26 9.410 19.665 -5.201 208 HD3 LYS 26 3HD LYS 26 7.755 20.168 -5.555 209 HE2 LYS 26 2HE LYS 26 9.401 21.959 -5.959 210 HE3 LYS 26 3HE LYS 26 8.215 22.391 -4.729 211 HZ1 LYS 26 1HZ LYS 26 9.777 22.090 -3.028 212 HZ2 LYS 26 2HZ LYS 26 10.615 22.934 -4.231 213 HZ3 LYS 26 3HZ LYS 26 10.865 21.273 -4.033 214 H CYS 27 H CYS 27 8.764 17.926 -5.698 215 HA CYS 27 HA CYS 27 9.850 15.689 -4.120 216 HB2 CYS 27 2HB CYS 27 10.045 16.409 -7.020 217 HB3 CYS 27 3HB CYS 27 11.346 15.488 -6.272 218 HA PRO 28 HA PRO 28 13.304 18.063 -2.826 219 HB2 PRO 28 2HB PRO 28 15.337 16.271 -2.986 220 HB3 PRO 28 3HB PRO 28 14.074 16.183 -1.753 221 HG2 PRO 28 2HG PRO 28 14.325 14.662 -4.319 222 HG3 PRO 28 3HG PRO 28 13.850 14.077 -2.714 223 HD2 PRO 28 2HD PRO 28 12.047 14.620 -4.660 224 HD3 PRO 28 3HD PRO 28 11.688 14.846 -2.936 225 H SER 29 H SER 29 15.302 19.050 -3.477 226 HA SER 29 HA SER 29 15.487 19.344 -6.363 227 HB2 SER 29 2HB SER 29 17.424 20.887 -4.849 228 HB3 SER 29 3HB SER 29 16.129 21.447 -5.907 229 HG SER 29 HG SER 29 14.978 21.878 -4.209 230 H ALA 30 H ALA 30 16.816 17.319 -4.148 231 HA ALA 30 HA ALA 30 19.545 17.283 -4.614 232 HB1 ALA 30 1HB ALA 30 19.170 15.749 -3.029 233 HB2 ALA 30 2HB ALA 30 17.551 15.386 -3.631 234 HB3 ALA 30 3HB ALA 30 18.959 14.625 -4.372 235 H ALA 31 H ALA 31 20.794 16.794 -6.301 236 HA ALA 31 HA ALA 31 19.767 16.378 -8.870 237 HB1 ALA 31 1HB ALA 31 22.418 15.394 -8.812 238 HB2 ALA 31 2HB ALA 31 21.846 16.968 -9.365 239 HB3 ALA 31 3HB ALA 31 22.329 16.747 -7.684 240 H ASN 32 H ASN 32 20.318 14.169 -6.318 241 HA ASN 32 HA ASN 32 20.583 11.838 -8.004 242 HB2 ASN 32 2HB ASN 32 20.089 12.012 -5.023 243 HB3 ASN 32 3HB ASN 32 20.581 10.575 -5.913 244 HD21 ASN 32 1HD2 ASN 32 22.671 10.606 -6.946 245 HD22 ASN 32 2HD2 ASN 32 23.945 11.550 -6.259 246 H THR 33 H THR 33 18.046 13.588 -6.405 247 HA THR 33 HA THR 33 16.112 11.540 -7.276 248 HB THR 33 HB THR 33 14.788 13.154 -5.428 249 HG1 THR 33 HG1 THR 33 17.169 12.308 -4.172 250 HG21 THR 33 1HG2 THR 33 15.401 10.978 -3.960 251 HG22 THR 33 2HG2 THR 33 15.811 10.387 -5.570 252 HG23 THR 33 3HG2 THR 33 14.184 10.979 -5.235 253 H LYS 34 H LYS 34 17.299 14.071 -8.550 254 HA LYS 34 HA LYS 34 14.953 15.747 -8.875 255 HB2 LYS 34 2HB LYS 34 17.819 15.904 -9.635 256 HB3 LYS 34 3HB LYS 34 16.679 16.748 -10.674 257 HG2 LYS 34 2HG LYS 34 16.327 17.205 -7.791 258 HG3 LYS 34 3HG LYS 34 17.827 17.825 -8.486 259 HD2 LYS 34 2HD LYS 34 15.347 18.357 -10.007 260 HD3 LYS 34 3HD LYS 34 15.526 19.208 -8.471 261 HE2 LYS 34 2HE LYS 34 17.591 19.183 -10.668 262 HE3 LYS 34 3HE LYS 34 16.406 20.465 -10.427 263 HZ1 LYS 34 1HZ LYS 34 18.633 19.685 -8.640 264 HZ2 LYS 34 2HZ LYS 34 17.358 20.666 -8.118 265 HZ3 LYS 34 3HZ LYS 34 18.361 21.183 -9.378 266 H CYS 35 H CYS 35 14.605 16.472 -11.294 267 HA CYS 35 HA CYS 35 14.405 14.030 -12.933 268 HB2 CYS 35 2HB CYS 35 12.413 16.293 -12.684 269 HB3 CYS 35 3HB CYS 35 12.296 14.986 -13.858 270 H GLU 36 H GLU 36 15.386 14.133 -14.839 271 HA GLU 36 HA GLU 36 16.434 16.684 -15.761 272 HB2 GLU 36 2HB GLU 36 17.670 15.310 -17.409 273 HB3 GLU 36 3HB GLU 36 17.964 14.812 -15.749 274 HG2 GLU 36 2HG GLU 36 16.871 12.825 -15.998 275 HG3 GLU 36 3HG GLU 36 15.815 13.439 -17.269 276 H LYS 37 H LYS 37 13.863 14.517 -16.461 277 HA LYS 37 HA LYS 37 13.041 16.226 -18.688 278 HB2 LYS 37 2HB LYS 37 14.237 13.955 -19.348 279 HB3 LYS 37 3HB LYS 37 12.650 13.283 -19.000 280 HG2 LYS 37 2HG LYS 37 11.646 14.790 -20.637 281 HG3 LYS 37 3HG LYS 37 13.237 15.472 -20.983 282 HD2 LYS 37 2HD LYS 37 13.505 12.684 -21.224 283 HD3 LYS 37 3HD LYS 37 12.002 13.109 -22.046 284 HE2 LYS 37 2HE LYS 37 13.064 14.269 -23.672 285 HE3 LYS 37 3HE LYS 37 14.310 14.867 -22.578 286 HZ1 LYS 37 1HZ LYS 37 15.270 12.587 -22.623 287 HZ2 LYS 37 2HZ LYS 37 15.332 13.392 -24.109 288 HZ3 LYS 37 3HZ LYS 37 14.171 12.190 -23.847 289 H ASP 38 H ASP 38 10.972 16.796 -18.523 290 HA ASP 38 HA ASP 38 9.364 16.141 -16.360 291 HB2 ASP 38 2HB ASP 38 9.141 18.092 -18.016 292 HB3 ASP 38 3HB ASP 38 8.236 16.968 -19.027 293 H GLY 39 H GLY 39 7.773 14.663 -15.969 294 HA2 GLY 39 2HA GLY 39 6.200 12.994 -16.576 295 HA3 GLY 39 3HA GLY 39 7.043 12.793 -18.105 296 H ASN 40 H ASN 40 9.348 12.956 -15.748 297 HA ASN 40 HA ASN 40 10.127 10.271 -16.022 298 HB2 ASN 40 2HB ASN 40 11.191 12.614 -14.868 299 HB3 ASN 40 3HB ASN 40 11.158 11.409 -13.584 300 HD21 ASN 40 1HD2 ASN 40 13.116 12.692 -15.749 301 HD22 ASN 40 2HD2 ASN 40 14.116 11.338 -16.139 302 H LYS 41 H LYS 41 10.682 9.069 -13.775 303 HA LYS 41 HA LYS 41 8.121 8.246 -12.769 304 HB2 LYS 41 2HB LYS 41 10.757 7.158 -12.902 305 HB3 LYS 41 3HB LYS 41 10.231 7.123 -11.224 306 HG2 LYS 41 2HG LYS 41 8.801 5.915 -13.582 307 HG3 LYS 41 3HG LYS 41 9.659 5.050 -12.305 308 HD2 LYS 41 2HD LYS 41 7.972 6.430 -10.779 309 HD3 LYS 41 3HD LYS 41 7.005 6.382 -12.255 310 HE2 LYS 41 2HE LYS 41 8.092 4.049 -10.689 311 HE3 LYS 41 3HE LYS 41 6.402 4.498 -10.912 312 HZ1 LYS 41 1HZ LYS 41 6.621 2.855 -12.459 313 HZ2 LYS 41 2HZ LYS 41 8.243 3.203 -12.790 314 HZ3 LYS 41 3HZ LYS 41 7.022 4.192 -13.416 315 H CYS 42 H CYS 42 7.428 8.290 -10.596 316 HA CYS 42 HA CYS 42 8.900 9.908 -8.688 317 HB2 CYS 42 2HB CYS 42 7.460 11.457 -10.128 318 HB3 CYS 42 3HB CYS 42 6.069 10.699 -9.360 319 H THR 43 H THR 43 7.992 9.816 -6.532 320 HA THR 43 HA THR 43 5.930 7.797 -6.085 321 HB THR 43 HB THR 43 7.922 7.278 -4.138 322 HG1 THR 43 HG1 THR 43 9.730 7.404 -5.215 323 HG21 THR 43 1HG2 THR 43 7.955 5.115 -5.806 324 HG22 THR 43 2HG2 THR 43 6.406 5.857 -6.207 325 HG23 THR 43 3HG2 THR 43 6.758 5.396 -4.542 326 H TYR 44 H TYR 44 4.892 7.955 -4.081 327 HA TYR 44 HA TYR 44 5.703 10.168 -2.336 328 HB2 TYR 44 2HB TYR 44 4.055 11.322 -3.464 329 HB3 TYR 44 3HB TYR 44 3.118 9.871 -3.801 330 HD1 TYR 44 HD1 TYR 44 1.045 9.879 -2.809 331 HD2 TYR 44 HD2 TYR 44 4.311 11.625 -0.715 332 HE1 TYR 44 HE1 TYR 44 -0.450 10.404 -0.927 333 HE2 TYR 44 HE2 TYR 44 2.826 12.153 1.173 334 HH TYR 44 HH TYR 44 -0.508 12.074 0.966 335 H ASP 45 H ASP 45 5.936 9.393 -0.358 336 HA ASP 45 HA ASP 45 4.455 7.000 0.439 337 HB2 ASP 45 2HB ASP 45 6.991 7.232 0.703 338 HB3 ASP 45 3HB ASP 45 6.639 8.352 2.016 339 H SER 46 H SER 46 2.685 7.170 1.630 340 HA SER 46 HA SER 46 1.958 9.694 2.828 341 HB2 SER 46 2HB SER 46 -0.188 8.877 2.919 342 HB3 SER 46 3HB SER 46 0.454 7.839 1.645 343 HG SER 46 HG SER 46 -0.702 6.930 3.657 344 H TYR 47 H TYR 47 3.373 6.724 3.839 345 HA TYR 47 HA TYR 47 2.648 6.774 6.570 346 HB2 TYR 47 2HB TYR 47 3.633 4.820 5.290 347 HB3 TYR 47 3HB TYR 47 5.197 5.615 5.439 348 HD1 TYR 47 HD1 TYR 47 2.479 3.963 7.299 349 HD2 TYR 47 HD2 TYR 47 6.397 5.608 7.512 350 HE1 TYR 47 HE1 TYR 47 2.788 2.925 9.507 351 HE2 TYR 47 HE2 TYR 47 6.718 4.574 9.720 352 HH TYR 47 HH TYR 47 5.697 3.517 11.423 353 H ASN 48 H ASN 48 5.433 8.072 4.808 354 HA ASN 48 HA ASN 48 6.263 9.474 7.259 355 HB2 ASN 48 2HB ASN 48 8.259 9.743 5.276 356 HB3 ASN 48 3HB ASN 48 8.327 8.780 6.749 357 HD21 ASN 48 1HD2 ASN 48 8.554 8.691 3.459 358 HD22 ASN 48 2HD2 ASN 48 8.295 7.002 3.204 359 H ARG 49 H ARG 49 4.492 9.987 4.573 360 HA ARG 49 HA ARG 49 3.795 11.818 3.417 361 HB2 ARG 49 2HB ARG 49 5.049 13.484 5.592 362 HB3 ARG 49 3HB ARG 49 3.654 13.872 4.595 363 HG2 ARG 49 2HG ARG 49 2.618 11.763 5.732 364 HG3 ARG 49 3HG ARG 49 3.854 12.065 6.954 365 HD2 ARG 49 2HD ARG 49 2.963 14.504 6.874 366 HD3 ARG 49 3HD ARG 49 1.539 13.773 6.135 367 HE ARG 49 HE ARG 49 2.296 12.446 8.543 368 HH11 ARG 49 1HH1 ARG 49 0.648 15.240 7.280 369 HH12 ARG 49 2HH1 ARG 49 -0.373 15.427 8.668 370 HH21 ARG 49 1HH2 ARG 49 0.958 12.681 10.375 371 HH22 ARG 49 2HH2 ARG 49 -0.195 13.971 10.427 372 H LYS 50 H LYS 50 6.574 10.772 3.076 373 HA LYS 50 HA LYS 50 7.903 13.195 2.071 374 HB2 LYS 50 2HB LYS 50 9.440 12.113 3.442 375 HB3 LYS 50 3HB LYS 50 8.903 10.512 2.951 376 HG2 LYS 50 2HG LYS 50 10.262 10.456 1.153 377 HG3 LYS 50 3HG LYS 50 10.094 12.184 0.835 378 HD2 LYS 50 2HD LYS 50 12.259 12.155 1.548 379 HD3 LYS 50 3HD LYS 50 11.455 12.349 3.107 380 HE2 LYS 50 2HE LYS 50 12.910 10.621 3.555 381 HE3 LYS 50 3HE LYS 50 11.450 9.740 3.107 382 HZ1 LYS 50 1HZ LYS 50 12.673 10.059 0.734 383 HZ2 LYS 50 2HZ LYS 50 12.806 8.679 1.703 384 HZ3 LYS 50 3HZ LYS 50 14.001 9.875 1.767 385 H VAL 51 H VAL 51 8.332 13.460 -0.058 386 HA VAL 51 HA VAL 51 7.378 11.347 -1.877 387 HB VAL 51 HB VAL 51 7.566 14.315 -2.412 388 HG11 VAL 51 1HG1 VAL 51 7.855 12.704 -4.356 389 HG12 VAL 51 2HG1 VAL 51 6.174 12.242 -4.084 390 HG13 VAL 51 3HG1 VAL 51 6.575 13.907 -4.507 391 HG21 VAL 51 1HG2 VAL 51 5.791 13.436 -0.762 392 HG22 VAL 51 2HG2 VAL 51 5.268 14.486 -2.079 393 HG23 VAL 51 3HG2 VAL 51 5.024 12.743 -2.191 394 H LYS 52 H LYS 52 8.906 10.315 -2.963 395 HA LYS 52 HA LYS 52 11.440 11.717 -3.513 396 HB2 LYS 52 2HB LYS 52 11.710 9.825 -1.978 397 HB3 LYS 52 3HB LYS 52 10.947 8.755 -3.146 398 HG2 LYS 52 2HG LYS 52 12.845 9.480 -4.727 399 HG3 LYS 52 3HG LYS 52 13.642 10.047 -3.258 400 HD2 LYS 52 2HD LYS 52 13.823 7.905 -2.378 401 HD3 LYS 52 3HD LYS 52 12.530 7.271 -3.399 402 HE2 LYS 52 2HE LYS 52 13.977 6.693 -4.989 403 HE3 LYS 52 3HE LYS 52 14.696 8.302 -4.999 404 HZ1 LYS 52 1HZ LYS 52 15.792 7.404 -2.806 405 HZ2 LYS 52 2HZ LYS 52 16.467 7.074 -4.320 406 HZ3 LYS 52 3HZ LYS 52 15.526 5.904 -3.542 407 H CYS 53 H CYS 53 12.254 11.716 -5.560 408 HA CYS 53 HA CYS 53 10.574 10.465 -7.634 409 HB2 CYS 53 2HB CYS 53 12.033 13.091 -7.569 410 HB3 CYS 53 3HB CYS 53 11.645 12.320 -9.103 411 H ASP 54 H ASP 54 11.546 9.344 -9.284 412 HA ASP 54 HA ASP 54 14.470 9.152 -9.287 413 HB2 ASP 54 2HB ASP 54 13.994 6.586 -9.710 414 HB3 ASP 54 3HB ASP 54 14.127 7.227 -8.074 415 H PHE 55 H PHE 55 15.387 8.561 -11.267 416 HA PHE 55 HA PHE 55 13.523 8.397 -13.539 417 HB2 PHE 55 2HB PHE 55 15.261 9.748 -14.824 418 HB3 PHE 55 3HB PHE 55 14.311 10.629 -13.633 419 HD1 PHE 55 HD1 PHE 55 15.349 11.021 -11.342 420 HD2 PHE 55 HD2 PHE 55 17.585 9.762 -14.738 421 HE1 PHE 55 HE1 PHE 55 17.420 11.797 -10.262 422 HE2 PHE 55 HE2 PHE 55 19.659 10.535 -13.664 423 HZ PHE 55 HZ PHE 55 19.578 11.553 -11.423 424 H ARG 56 H ARG 56 14.787 7.729 -15.593 425 HA ARG 56 HA ARG 56 17.017 5.944 -15.061 426 HB2 ARG 56 2HB ARG 56 14.260 5.028 -15.657 427 HB3 ARG 56 3HB ARG 56 15.560 4.218 -16.522 428 HG2 ARG 56 2HG ARG 56 16.217 3.091 -14.712 429 HG3 ARG 56 3HG ARG 56 16.066 4.503 -13.664 430 HD2 ARG 56 2HD ARG 56 14.443 3.097 -12.813 431 HD3 ARG 56 3HD ARG 56 13.514 4.099 -13.927 432 HE ARG 56 HE ARG 56 13.132 2.248 -15.225 433 HH11 ARG 56 1HH1 ARG 56 15.681 1.560 -12.957 434 HH12 ARG 56 2HH1 ARG 56 15.732 -0.132 -13.327 435 HH21 ARG 56 1HH2 ARG 56 13.189 0.023 -15.722 436 HH22 ARG 56 2HH2 ARG 56 14.314 -1.005 -14.901 437 H HIS 57 H HIS 57 18.183 5.361 -16.921 438 HA HIS 57 HA HIS 57 19.136 5.789 -18.945 439 HB2 HIS 57 2HB HIS 57 17.445 4.472 -19.914 440 HB3 HIS 57 3HB HIS 57 16.206 5.688 -19.621 441 HD1 HIS 57 HD1 HIS 57 18.605 4.529 -22.136 442 HD2 HIS 57 HD2 HIS 57 16.375 7.959 -21.409 443 HE1 HIS 57 HE1 HIS 57 18.627 5.816 -24.296 Start of MODEL 8 1 H1 LEU 1 H LEU 1 4.636 -2.926 -1.842 2 HA LEU 1 HA LEU 1 3.149 -1.535 -3.254 3 HB2 LEU 1 2HB LEU 1 2.571 -2.480 -0.828 4 HB3 LEU 1 3HB LEU 1 2.413 -0.757 -0.490 5 HG LEU 1 HG LEU 1 0.957 -1.925 -2.820 6 HD11 LEU 1 1HD1 LEU 1 -0.966 -2.352 -1.290 7 HD12 LEU 1 2HD1 LEU 1 0.142 -2.171 0.069 8 HD13 LEU 1 3HD1 LEU 1 0.381 -3.473 -1.096 9 HD21 LEU 1 1HD2 LEU 1 -0.527 -0.086 -1.246 10 HD22 LEU 1 2HD2 LEU 1 0.112 0.124 -2.876 11 HD23 LEU 1 3HD2 LEU 1 1.093 0.572 -1.479 12 H GLU 2 H GLU 2 2.309 0.542 -3.686 13 HA GLU 2 HA GLU 2 2.960 2.887 -2.317 14 HB2 GLU 2 2HB GLU 2 5.067 1.876 -4.041 15 HB3 GLU 2 3HB GLU 2 4.536 3.476 -4.539 16 HG2 GLU 2 2HG GLU 2 5.568 4.449 -2.835 17 HG3 GLU 2 3HG GLU 2 4.881 3.314 -1.674 18 H TYR 3 H TYR 3 2.397 4.846 -3.538 19 HA TYR 3 HA TYR 3 0.174 4.308 -5.304 20 HB2 TYR 3 2HB TYR 3 1.267 6.784 -3.993 21 HB3 TYR 3 3HB TYR 3 0.033 6.891 -5.243 22 HD1 TYR 3 HD1 TYR 3 -2.025 5.217 -4.833 23 HD2 TYR 3 HD2 TYR 3 0.546 6.744 -1.806 24 HE1 TYR 3 HE1 TYR 3 -3.771 4.806 -3.150 25 HE2 TYR 3 HE2 TYR 3 -1.193 6.336 -0.115 26 HH TYR 3 HH TYR 3 -3.202 5.472 0.289 27 H LYS 4 H LYS 4 -0.035 4.958 -7.430 28 HA LYS 4 HA LYS 4 2.438 5.158 -8.908 29 HB2 LYS 4 2HB LYS 4 -0.437 5.134 -9.847 30 HB3 LYS 4 3HB LYS 4 0.970 5.061 -10.900 31 HG2 LYS 4 2HG LYS 4 0.154 3.010 -8.853 32 HG3 LYS 4 3HG LYS 4 0.043 2.857 -10.608 33 HD2 LYS 4 2HD LYS 4 2.501 3.067 -10.747 34 HD3 LYS 4 3HD LYS 4 2.574 3.126 -8.985 35 HE2 LYS 4 2HE LYS 4 1.619 0.842 -10.704 36 HE3 LYS 4 3HE LYS 4 3.064 0.889 -9.694 37 HZ1 LYS 4 1HZ LYS 4 1.374 1.314 -7.809 38 HZ2 LYS 4 2HZ LYS 4 1.578 -0.261 -8.390 39 HZ3 LYS 4 3HZ LYS 4 0.244 0.656 -8.883 40 H GLY 5 H GLY 5 3.421 7.064 -9.089 41 HA2 GLY 5 2HA GLY 5 1.763 9.406 -9.771 42 HA3 GLY 5 3HA GLY 5 3.011 9.524 -8.540 43 H GLU 6 H GLU 6 2.845 11.087 -10.926 44 HA GLU 6 HA GLU 6 5.186 10.103 -12.418 45 HB2 GLU 6 2HB GLU 6 3.344 12.261 -13.406 46 HB3 GLU 6 3HB GLU 6 4.428 11.230 -14.330 47 HG2 GLU 6 2HG GLU 6 2.436 10.269 -14.849 48 HG3 GLU 6 3HG GLU 6 2.861 9.326 -13.421 49 H CYS 7 H CYS 7 6.553 11.919 -13.343 50 HA CYS 7 HA CYS 7 6.845 14.064 -11.343 51 HB2 CYS 7 2HB CYS 7 8.975 13.478 -10.988 52 HB3 CYS 7 3HB CYS 7 8.666 12.022 -11.928 53 H PHE 8 H PHE 8 7.814 16.048 -12.120 54 HA PHE 8 HA PHE 8 7.026 16.595 -14.886 55 HB2 PHE 8 2HB PHE 8 6.946 18.087 -12.404 56 HB3 PHE 8 3HB PHE 8 7.766 19.003 -13.664 57 HD1 PHE 8 HD1 PHE 8 6.584 19.681 -15.680 58 HD2 PHE 8 HD2 PHE 8 4.604 17.581 -12.552 59 HE1 PHE 8 HE1 PHE 8 4.408 20.319 -16.634 60 HE2 PHE 8 HE2 PHE 8 2.425 18.214 -13.502 61 HZ PHE 8 HZ PHE 8 2.324 19.584 -15.546 62 H THR 9 H THR 9 8.413 18.379 -15.951 63 HA THR 9 HA THR 9 10.881 17.367 -16.620 64 HB THR 9 HB THR 9 10.984 20.244 -16.790 65 HG1 THR 9 HG1 THR 9 8.990 20.206 -18.227 66 HG21 THR 9 1HG2 THR 9 11.700 19.747 -18.857 67 HG22 THR 9 2HG2 THR 9 10.282 18.757 -19.203 68 HG23 THR 9 3HG2 THR 9 11.648 18.065 -18.330 69 H LYS 10 H LYS 10 12.891 19.096 -16.408 70 HA LYS 10 HA LYS 10 14.027 18.608 -13.932 71 HB2 LYS 10 2HB LYS 10 14.834 19.804 -16.311 72 HB3 LYS 10 3HB LYS 10 15.020 21.076 -15.111 73 HG2 LYS 10 2HG LYS 10 16.113 18.336 -14.612 74 HG3 LYS 10 3HG LYS 10 17.003 19.506 -15.589 75 HD2 LYS 10 2HD LYS 10 16.008 20.040 -12.792 76 HD3 LYS 10 3HD LYS 10 17.640 19.487 -13.175 77 HE2 LYS 10 2HE LYS 10 16.971 21.743 -14.811 78 HE3 LYS 10 3HE LYS 10 16.670 22.130 -13.118 79 HZ1 LYS 10 1HZ LYS 10 18.842 22.142 -12.661 80 HZ2 LYS 10 2HZ LYS 10 19.071 22.273 -14.332 81 HZ3 LYS 10 3HZ LYS 10 19.161 20.759 -13.582 82 H ASP 11 H ASP 11 11.452 20.570 -14.498 83 HA ASP 11 HA ASP 11 12.013 22.817 -12.868 84 HB2 ASP 11 2HB ASP 11 9.571 21.592 -14.053 85 HB3 ASP 11 3HB ASP 11 9.349 22.720 -12.718 86 H ASN 12 H ASN 12 11.815 19.641 -12.035 87 HA ASN 12 HA ASN 12 11.605 18.511 -10.073 88 HB2 ASN 12 2HB ASN 12 12.487 21.200 -9.337 89 HB3 ASN 12 3HB ASN 12 11.606 20.392 -8.044 90 HD21 ASN 12 1HD2 ASN 12 12.309 17.815 -8.296 91 HD22 ASN 12 2HD2 ASN 12 14.010 17.620 -8.066 92 H THR 13 H THR 13 9.522 17.763 -10.310 93 HA THR 13 HA THR 13 7.605 18.716 -8.428 94 HB THR 13 HB THR 13 6.064 18.789 -10.805 95 HG1 THR 13 HG1 THR 13 7.132 20.705 -11.735 96 HG21 THR 13 1HG2 THR 13 6.921 21.007 -8.940 97 HG22 THR 13 2HG2 THR 13 5.537 19.937 -8.710 98 HG23 THR 13 3HG2 THR 13 5.561 21.071 -10.060 99 H CYS 14 H CYS 14 5.706 17.359 -8.314 100 HA CYS 14 HA CYS 14 5.723 14.936 -9.932 101 HB2 CYS 14 2HB CYS 14 6.369 15.051 -7.024 102 HB3 CYS 14 3HB CYS 14 5.383 13.709 -7.595 103 H LYS 15 H LYS 15 3.739 13.913 -10.061 104 HA LYS 15 HA LYS 15 1.521 15.124 -8.558 105 HB2 LYS 15 2HB LYS 15 1.579 16.100 -10.817 106 HB3 LYS 15 3HB LYS 15 1.509 14.487 -11.515 107 HG2 LYS 15 2HG LYS 15 -0.684 15.053 -11.657 108 HG3 LYS 15 3HG LYS 15 -0.681 14.332 -10.046 109 HD2 LYS 15 2HD LYS 15 -0.507 16.522 -9.029 110 HD3 LYS 15 3HD LYS 15 -0.381 17.281 -10.618 111 HE2 LYS 15 2HE LYS 15 -2.754 15.649 -9.734 112 HE3 LYS 15 3HE LYS 15 -2.650 17.397 -9.534 113 HZ1 LYS 15 1HZ LYS 15 -3.695 17.289 -11.533 114 HZ2 LYS 15 2HZ LYS 15 -2.980 15.822 -11.976 115 HZ3 LYS 15 3HZ LYS 15 -2.096 17.260 -12.086 116 H TYR 16 H TYR 16 0.712 13.554 -7.336 117 HA TYR 16 HA TYR 16 0.470 10.857 -8.498 118 HB2 TYR 16 2HB TYR 16 0.647 9.951 -6.258 119 HB3 TYR 16 3HB TYR 16 2.021 11.007 -6.564 120 HD1 TYR 16 HD1 TYR 16 1.929 13.382 -5.631 121 HD2 TYR 16 HD2 TYR 16 -0.739 10.304 -4.402 122 HE1 TYR 16 HE1 TYR 16 1.411 14.654 -3.591 123 HE2 TYR 16 HE2 TYR 16 -1.265 11.568 -2.359 124 HH TYR 16 HH TYR 16 0.566 14.163 -1.280 125 H LYS 17 H LYS 17 -1.378 9.584 -7.745 126 HA LYS 17 HA LYS 17 -3.703 11.281 -7.110 127 HB2 LYS 17 2HB LYS 17 -3.839 10.545 -9.414 128 HB3 LYS 17 3HB LYS 17 -3.554 8.877 -8.936 129 HG2 LYS 17 2HG LYS 17 -5.685 8.945 -7.656 130 HG3 LYS 17 3HG LYS 17 -5.980 10.551 -8.327 131 HD2 LYS 17 2HD LYS 17 -7.005 9.483 -10.004 132 HD3 LYS 17 3HD LYS 17 -5.384 9.054 -10.556 133 HE2 LYS 17 2HE LYS 17 -6.178 6.950 -10.432 134 HE3 LYS 17 3HE LYS 17 -5.802 7.122 -8.718 135 HZ1 LYS 17 1HZ LYS 17 -8.125 7.901 -8.406 136 HZ2 LYS 17 2HZ LYS 17 -8.004 6.291 -8.910 137 HZ3 LYS 17 3HZ LYS 17 -8.443 7.492 -10.017 138 H ILE 18 H ILE 18 -5.079 10.598 -5.542 139 HA ILE 18 HA ILE 18 -4.545 7.971 -4.321 140 HB ILE 18 HB ILE 18 -5.227 10.486 -2.797 141 HG12 ILE 18 2HG1 ILE 18 -2.953 10.600 -3.715 142 HG13 ILE 18 3HG1 ILE 18 -2.916 10.399 -1.967 143 HG21 ILE 18 1HG2 ILE 18 -4.827 7.630 -2.042 144 HG22 ILE 18 2HG2 ILE 18 -4.370 8.896 -0.903 145 HG23 ILE 18 3HG2 ILE 18 -6.034 8.786 -1.479 146 HD11 ILE 18 1HD1 ILE 18 -2.834 7.815 -2.878 147 HD12 ILE 18 2HD1 ILE 18 -1.868 8.691 -4.066 148 HD13 ILE 18 3HD1 ILE 18 -1.451 8.776 -2.355 149 H ASP 19 H ASP 19 -6.310 6.888 -3.429 150 HA ASP 19 HA ASP 19 -8.727 7.040 -4.738 151 HB2 ASP 19 2HB ASP 19 -7.816 5.789 -2.196 152 HB3 ASP 19 3HB ASP 19 -9.554 5.899 -2.464 153 H GLY 20 H GLY 20 -10.258 8.539 -4.764 154 HA2 GLY 20 2HA GLY 20 -11.995 9.719 -3.571 155 HA3 GLY 20 3HA GLY 20 -10.851 9.981 -2.263 156 H LYS 21 H LYS 21 -8.951 11.368 -2.791 157 HA LYS 21 HA LYS 21 -9.651 13.424 -4.781 158 HB2 LYS 21 2HB LYS 21 -8.775 13.749 -1.925 159 HB3 LYS 21 3HB LYS 21 -8.482 15.020 -3.105 160 HG2 LYS 21 2HG LYS 21 -11.186 13.874 -2.436 161 HG3 LYS 21 3HG LYS 21 -10.530 15.383 -1.796 162 HD2 LYS 21 2HD LYS 21 -11.060 14.767 -4.703 163 HD3 LYS 21 3HD LYS 21 -12.040 15.807 -3.666 164 HE2 LYS 21 2HE LYS 21 -9.544 16.873 -3.353 165 HE3 LYS 21 3HE LYS 21 -9.509 16.351 -5.036 166 HZ1 LYS 21 1HZ LYS 21 -11.272 18.329 -3.751 167 HZ2 LYS 21 2HZ LYS 21 -11.772 17.541 -5.161 168 HZ3 LYS 21 3HZ LYS 21 -10.362 18.475 -5.169 169 H THR 22 H THR 22 -7.916 14.494 -5.790 170 HA THR 22 HA THR 22 -5.411 12.967 -5.728 171 HB THR 22 HB THR 22 -6.477 14.873 -7.820 172 HG1 THR 22 HG1 THR 22 -7.550 12.911 -7.913 173 HG21 THR 22 1HG2 THR 22 -4.461 13.449 -8.995 174 HG22 THR 22 2HG2 THR 22 -3.819 13.720 -7.374 175 HG23 THR 22 3HG2 THR 22 -4.308 15.090 -8.371 176 H TYR 23 H TYR 23 -3.452 13.915 -5.348 177 HA TYR 23 HA TYR 23 -3.419 16.798 -4.781 178 HB2 TYR 23 2HB TYR 23 -1.850 14.903 -3.067 179 HB3 TYR 23 3HB TYR 23 -2.381 16.543 -2.711 180 HD1 TYR 23 HD1 TYR 23 -4.454 16.950 -1.640 181 HD2 TYR 23 HD2 TYR 23 -3.528 13.040 -3.039 182 HE1 TYR 23 HE1 TYR 23 -6.397 16.061 -0.423 183 HE2 TYR 23 HE2 TYR 23 -5.469 12.140 -1.826 184 HH TYR 23 HH TYR 23 -6.926 12.673 -0.030 185 H LEU 24 H LEU 24 -1.099 17.595 -4.540 186 HA LEU 24 HA LEU 24 0.510 16.364 -6.670 187 HB2 LEU 24 2HB LEU 24 -0.263 18.728 -6.934 188 HB3 LEU 24 3HB LEU 24 0.734 19.149 -5.544 189 HG LEU 24 HG LEU 24 2.668 18.136 -6.969 190 HD11 LEU 24 1HD1 LEU 24 2.286 18.584 -9.401 191 HD12 LEU 24 2HD1 LEU 24 0.564 18.716 -9.043 192 HD13 LEU 24 3HD1 LEU 24 1.410 17.195 -8.758 193 HD21 LEU 24 1HD2 LEU 24 1.622 20.736 -8.003 194 HD22 LEU 24 2HD2 LEU 24 3.272 20.276 -7.580 195 HD23 LEU 24 3HD2 LEU 24 2.089 20.588 -6.309 196 H ALA 25 H ALA 25 2.745 16.078 -6.405 197 HA ALA 25 HA ALA 25 3.688 16.180 -3.614 198 HB1 ALA 25 1HB ALA 25 3.524 13.917 -3.872 199 HB2 ALA 25 2HB ALA 25 3.815 13.980 -5.610 200 HB3 ALA 25 3HB ALA 25 5.159 14.170 -4.484 201 H LYS 26 H LYS 26 5.871 16.671 -3.273 202 HA LYS 26 HA LYS 26 7.223 17.880 -5.595 203 HB2 LYS 26 2HB LYS 26 6.660 19.607 -4.054 204 HB3 LYS 26 3HB LYS 26 7.220 18.660 -2.682 205 HG2 LYS 26 2HG LYS 26 8.756 20.484 -3.282 206 HG3 LYS 26 3HG LYS 26 9.509 18.891 -3.394 207 HD2 LYS 26 2HD LYS 26 9.985 19.211 -5.544 208 HD3 LYS 26 3HD LYS 26 8.300 19.594 -5.905 209 HE2 LYS 26 2HE LYS 26 10.016 21.649 -4.588 210 HE3 LYS 26 3HE LYS 26 10.197 21.358 -6.317 211 HZ1 LYS 26 1HZ LYS 26 7.554 21.881 -5.100 212 HZ2 LYS 26 2HZ LYS 26 8.007 22.006 -6.725 213 HZ3 LYS 26 3HZ LYS 26 8.564 23.142 -5.602 214 H CYS 27 H CYS 27 9.355 17.427 -5.976 215 HA CYS 27 HA CYS 27 10.562 15.353 -4.265 216 HB2 CYS 27 2HB CYS 27 10.599 15.751 -7.242 217 HB3 CYS 27 3HB CYS 27 11.887 14.853 -6.446 218 HA PRO 28 HA PRO 28 14.039 17.918 -3.502 219 HB2 PRO 28 2HB PRO 28 16.075 16.123 -3.510 220 HB3 PRO 28 3HB PRO 28 14.880 16.215 -2.211 221 HG2 PRO 28 2HG PRO 28 15.008 14.337 -4.538 222 HG3 PRO 28 3HG PRO 28 14.624 13.992 -2.841 223 HD2 PRO 28 2HD PRO 28 12.714 14.244 -4.745 224 HD3 PRO 28 3HD PRO 28 12.447 14.719 -3.055 225 H SER 29 H SER 29 15.980 18.811 -4.401 226 HA SER 29 HA SER 29 15.991 18.729 -7.296 227 HB2 SER 29 2HB SER 29 17.477 20.643 -7.163 228 HB3 SER 29 3HB SER 29 16.135 20.881 -6.044 229 HG SER 29 HG SER 29 17.976 21.375 -4.933 230 H ALA 30 H ALA 30 17.261 16.731 -5.153 231 HA ALA 30 HA ALA 30 19.969 16.515 -5.482 232 HB1 ALA 30 1HB ALA 30 19.170 13.885 -5.590 233 HB2 ALA 30 2HB ALA 30 19.418 14.833 -4.123 234 HB3 ALA 30 3HB ALA 30 17.803 14.688 -4.817 235 H ALA 31 H ALA 31 21.345 15.994 -7.074 236 HA ALA 31 HA ALA 31 20.634 16.060 -9.749 237 HB1 ALA 31 1HB ALA 31 23.057 15.124 -8.286 238 HB2 ALA 31 2HB ALA 31 22.924 14.818 -10.019 239 HB3 ALA 31 3HB ALA 31 22.868 16.471 -9.408 240 H ASN 32 H ASN 32 20.981 13.288 -7.597 241 HA ASN 32 HA ASN 32 20.506 11.389 -9.724 242 HB2 ASN 32 2HB ASN 32 21.906 11.119 -7.493 243 HB3 ASN 32 3HB ASN 32 20.346 10.627 -6.839 244 HD21 ASN 32 1HD2 ASN 32 22.607 9.989 -9.475 245 HD22 ASN 32 2HD2 ASN 32 22.238 8.308 -9.621 246 H THR 33 H THR 33 18.593 13.378 -7.841 247 HA THR 33 HA THR 33 16.259 11.607 -8.172 248 HB THR 33 HB THR 33 16.403 13.873 -6.190 249 HG1 THR 33 HG1 THR 33 17.223 12.504 -4.718 250 HG21 THR 33 1HG2 THR 33 14.433 11.870 -6.972 251 HG22 THR 33 2HG2 THR 33 14.224 13.366 -6.061 252 HG23 THR 33 3HG2 THR 33 14.737 11.895 -5.236 253 H LYS 34 H LYS 34 17.633 13.858 -9.828 254 HA LYS 34 HA LYS 34 15.449 15.762 -10.072 255 HB2 LYS 34 2HB LYS 34 18.185 15.537 -11.294 256 HB3 LYS 34 3HB LYS 34 16.995 16.653 -11.950 257 HG2 LYS 34 2HG LYS 34 17.040 17.058 -9.163 258 HG3 LYS 34 3HG LYS 34 18.719 16.975 -9.702 259 HD2 LYS 34 2HD LYS 34 16.941 18.571 -11.415 260 HD3 LYS 34 3HD LYS 34 17.179 19.212 -9.788 261 HE2 LYS 34 2HE LYS 34 18.822 20.106 -11.373 262 HE3 LYS 34 3HE LYS 34 19.588 19.161 -10.097 263 HZ1 LYS 34 1HZ LYS 34 20.316 17.643 -11.552 264 HZ2 LYS 34 2HZ LYS 34 20.067 18.845 -12.715 265 HZ3 LYS 34 3HZ LYS 34 18.891 17.655 -12.463 266 H CYS 35 H CYS 35 14.401 16.191 -12.106 267 HA CYS 35 HA CYS 35 13.987 13.733 -13.646 268 HB2 CYS 35 2HB CYS 35 12.336 16.251 -13.385 269 HB3 CYS 35 3HB CYS 35 11.944 14.938 -14.490 270 H GLU 36 H GLU 36 14.607 13.542 -15.706 271 HA GLU 36 HA GLU 36 15.978 15.790 -16.946 272 HB2 GLU 36 2HB GLU 36 17.178 13.729 -17.028 273 HB3 GLU 36 3HB GLU 36 15.777 12.863 -17.643 274 HG2 GLU 36 2HG GLU 36 17.426 13.234 -19.387 275 HG3 GLU 36 3HG GLU 36 15.920 14.080 -19.740 276 H LYS 37 H LYS 37 13.011 14.043 -17.198 277 HA LYS 37 HA LYS 37 12.106 15.864 -19.274 278 HB2 LYS 37 2HB LYS 37 13.084 13.699 -20.310 279 HB3 LYS 37 3HB LYS 37 11.632 12.926 -19.688 280 HG2 LYS 37 2HG LYS 37 10.327 14.701 -20.948 281 HG3 LYS 37 3HG LYS 37 11.848 15.092 -21.754 282 HD2 LYS 37 2HD LYS 37 11.304 12.237 -21.736 283 HD3 LYS 37 3HD LYS 37 10.026 13.159 -22.530 284 HE2 LYS 37 2HE LYS 37 11.526 12.694 -24.252 285 HE3 LYS 37 3HE LYS 37 11.934 14.342 -23.777 286 HZ1 LYS 37 1HZ LYS 37 13.882 12.874 -24.093 287 HZ2 LYS 37 2HZ LYS 37 13.355 11.930 -22.792 288 HZ3 LYS 37 3HZ LYS 37 13.796 13.544 -22.542 289 H ASP 38 H ASP 38 9.921 16.251 -19.219 290 HA ASP 38 HA ASP 38 8.554 15.676 -16.813 291 HB2 ASP 38 2HB ASP 38 6.564 16.661 -18.066 292 HB3 ASP 38 3HB ASP 38 7.980 17.697 -17.904 293 H GLY 39 H GLY 39 6.838 14.311 -16.368 294 HA2 GLY 39 2HA GLY 39 5.187 12.700 -16.925 295 HA3 GLY 39 3HA GLY 39 6.001 12.435 -18.460 296 H ASN 40 H ASN 40 8.449 12.508 -16.348 297 HA ASN 40 HA ASN 40 9.059 9.800 -16.511 298 HB2 ASN 40 2HB ASN 40 10.286 12.103 -15.483 299 HB3 ASN 40 3HB ASN 40 10.200 10.982 -14.127 300 HD21 ASN 40 1HD2 ASN 40 11.641 11.690 -17.160 301 HD22 ASN 40 2HD2 ASN 40 12.764 10.377 -17.182 302 H LYS 41 H LYS 41 9.617 8.592 -14.285 303 HA LYS 41 HA LYS 41 7.028 8.061 -13.095 304 HB2 LYS 41 2HB LYS 41 9.380 6.557 -13.618 305 HB3 LYS 41 3HB LYS 41 9.120 6.535 -11.879 306 HG2 LYS 41 2HG LYS 41 7.133 5.710 -13.985 307 HG3 LYS 41 3HG LYS 41 8.050 4.635 -12.928 308 HD2 LYS 41 2HD LYS 41 6.923 6.144 -11.055 309 HD3 LYS 41 3HD LYS 41 5.714 6.369 -12.322 310 HE2 LYS 41 2HE LYS 41 6.682 3.720 -11.248 311 HE3 LYS 41 3HE LYS 41 5.147 4.494 -10.854 312 HZ1 LYS 41 1HZ LYS 41 5.936 3.055 -13.247 313 HZ2 LYS 41 2HZ LYS 41 5.017 4.450 -13.511 314 HZ3 LYS 41 3HZ LYS 41 4.412 3.212 -12.530 315 H CYS 42 H CYS 42 6.610 8.066 -10.846 316 HA CYS 42 HA CYS 42 8.533 9.345 -9.082 317 HB2 CYS 42 2HB CYS 42 7.152 11.155 -10.245 318 HB3 CYS 42 3HB CYS 42 5.775 10.537 -9.338 319 H THR 43 H THR 43 7.883 9.265 -6.825 320 HA THR 43 HA THR 43 5.729 7.351 -6.251 321 HB THR 43 HB THR 43 7.963 6.990 -4.439 322 HG1 THR 43 HG1 THR 43 9.253 5.872 -6.082 323 HG21 THR 43 1HG2 THR 43 7.623 4.605 -5.157 324 HG22 THR 43 2HG2 THR 43 6.386 5.186 -6.271 325 HG23 THR 43 3HG2 THR 43 6.180 5.402 -4.533 326 H TYR 44 H TYR 44 4.656 7.661 -4.330 327 HA TYR 44 HA TYR 44 5.598 9.806 -2.564 328 HB2 TYR 44 2HB TYR 44 4.064 11.057 -3.777 329 HB3 TYR 44 3HB TYR 44 2.992 9.684 -4.036 330 HD1 TYR 44 HD1 TYR 44 3.970 12.343 -1.716 331 HD2 TYR 44 HD2 TYR 44 1.373 9.033 -2.346 332 HE1 TYR 44 HE1 TYR 44 2.572 13.090 0.165 333 HE2 TYR 44 HE2 TYR 44 -0.033 9.771 -0.468 334 HH TYR 44 HH TYR 44 0.703 12.748 1.319 335 H ASP 45 H ASP 45 5.443 9.305 -0.474 336 HA ASP 45 HA ASP 45 4.053 6.836 0.254 337 HB2 ASP 45 2HB ASP 45 6.498 7.313 0.865 338 HB3 ASP 45 3HB ASP 45 5.858 8.452 2.046 339 H SER 46 H SER 46 2.146 6.883 1.226 340 HA SER 46 HA SER 46 1.052 9.406 2.138 341 HB2 SER 46 2HB SER 46 -0.443 8.043 0.860 342 HB3 SER 46 3HB SER 46 -0.120 6.633 1.869 343 HG SER 46 HG SER 46 -1.910 7.334 2.785 344 H TYR 47 H TYR 47 2.696 6.774 3.495 345 HA TYR 47 HA TYR 47 1.500 6.883 6.104 346 HB2 TYR 47 2HB TYR 47 2.726 4.893 5.002 347 HB3 TYR 47 3HB TYR 47 4.204 5.708 5.501 348 HD1 TYR 47 HD1 TYR 47 1.416 3.670 6.553 349 HD2 TYR 47 HD2 TYR 47 4.616 6.107 7.940 350 HE1 TYR 47 HE1 TYR 47 1.213 2.656 8.785 351 HE2 TYR 47 HE2 TYR 47 4.423 5.099 10.175 352 HH TYR 47 HH TYR 47 3.052 2.361 10.846 353 H ASN 48 H ASN 48 4.491 8.079 4.628 354 HA ASN 48 HA ASN 48 4.988 9.667 7.055 355 HB2 ASN 48 2HB ASN 48 7.175 9.661 5.151 356 HB3 ASN 48 3HB ASN 48 7.169 9.186 6.846 357 HD21 ASN 48 1HD2 ASN 48 7.832 8.119 3.864 358 HD22 ASN 48 2HD2 ASN 48 7.562 6.425 4.071 359 H ARG 49 H ARG 49 3.600 9.959 4.121 360 HA ARG 49 HA ARG 49 3.069 11.692 2.745 361 HB2 ARG 49 2HB ARG 49 3.949 13.351 5.116 362 HB3 ARG 49 3HB ARG 49 3.008 13.938 3.751 363 HG2 ARG 49 2HG ARG 49 1.195 12.407 4.346 364 HG3 ARG 49 3HG ARG 49 2.139 11.834 5.722 365 HD2 ARG 49 2HD ARG 49 2.087 14.646 5.886 366 HD3 ARG 49 3HD ARG 49 0.441 14.130 5.521 367 HE ARG 49 HE ARG 49 1.251 12.473 7.535 368 HH11 ARG 49 1HH1 ARG 49 1.037 15.922 7.113 369 HH12 ARG 49 2HH1 ARG 49 0.751 16.241 8.791 370 HH21 ARG 49 1HH2 ARG 49 0.874 12.880 9.747 371 HH22 ARG 49 2HH2 ARG 49 0.659 14.510 10.289 372 H LYS 50 H LYS 50 5.862 10.644 2.854 373 HA LYS 50 HA LYS 50 7.338 12.996 1.892 374 HB2 LYS 50 2HB LYS 50 9.291 11.992 2.543 375 HB3 LYS 50 3HB LYS 50 8.189 11.262 3.704 376 HG2 LYS 50 2HG LYS 50 7.983 9.306 2.179 377 HG3 LYS 50 3HG LYS 50 9.235 10.028 1.166 378 HD2 LYS 50 2HD LYS 50 9.615 9.434 4.095 379 HD3 LYS 50 3HD LYS 50 10.031 8.293 2.814 380 HE2 LYS 50 2HE LYS 50 11.921 9.379 2.336 381 HE3 LYS 50 3HE LYS 50 11.106 10.942 2.315 382 HZ1 LYS 50 1HZ LYS 50 12.719 9.776 4.354 383 HZ2 LYS 50 2HZ LYS 50 11.208 10.234 4.960 384 HZ3 LYS 50 3HZ LYS 50 12.190 11.375 4.187 385 H VAL 51 H VAL 51 8.225 13.066 -0.144 386 HA VAL 51 HA VAL 51 7.139 11.125 -2.049 387 HB VAL 51 HB VAL 51 8.539 13.716 -2.701 388 HG11 VAL 51 1HG1 VAL 51 6.668 11.949 -4.274 389 HG12 VAL 51 2HG1 VAL 51 7.298 13.504 -4.820 390 HG13 VAL 51 3HG1 VAL 51 8.398 12.152 -4.546 391 HG21 VAL 51 1HG2 VAL 51 5.576 13.253 -2.372 392 HG22 VAL 51 2HG2 VAL 51 6.601 14.142 -1.244 393 HG23 VAL 51 3HG2 VAL 51 6.353 14.754 -2.879 394 H LYS 52 H LYS 52 8.373 9.680 -3.063 395 HA LYS 52 HA LYS 52 11.299 9.947 -2.825 396 HB2 LYS 52 2HB LYS 52 10.391 8.044 -1.562 397 HB3 LYS 52 3HB LYS 52 9.640 7.426 -3.028 398 HG2 LYS 52 2HG LYS 52 12.077 7.462 -3.953 399 HG3 LYS 52 3HG LYS 52 12.516 7.469 -2.243 400 HD2 LYS 52 2HD LYS 52 11.146 5.445 -1.912 401 HD3 LYS 52 3HD LYS 52 10.785 5.427 -3.640 402 HE2 LYS 52 2HE LYS 52 12.619 3.881 -2.956 403 HE3 LYS 52 3HE LYS 52 13.082 5.056 -4.186 404 HZ1 LYS 52 1HZ LYS 52 13.537 5.784 -1.394 405 HZ2 LYS 52 2HZ LYS 52 14.458 6.138 -2.768 406 HZ3 LYS 52 3HZ LYS 52 14.552 4.605 -2.060 407 H CYS 53 H CYS 53 12.411 10.161 -4.650 408 HA CYS 53 HA CYS 53 11.322 9.062 -7.138 409 HB2 CYS 53 2HB CYS 53 12.468 11.851 -7.005 410 HB3 CYS 53 3HB CYS 53 11.651 11.085 -8.363 411 H ASP 54 H ASP 54 12.853 8.447 -8.650 412 HA ASP 54 HA ASP 54 15.673 8.893 -8.009 413 HB2 ASP 54 2HB ASP 54 15.542 6.814 -7.007 414 HB3 ASP 54 3HB ASP 54 14.273 6.254 -8.093 415 H PHE 55 H PHE 55 16.850 9.343 -9.760 416 HA PHE 55 HA PHE 55 16.021 8.350 -12.373 417 HB2 PHE 55 2HB PHE 55 16.522 11.292 -11.892 418 HB3 PHE 55 3HB PHE 55 16.055 10.534 -13.411 419 HD1 PHE 55 HD1 PHE 55 13.780 9.500 -13.603 420 HD2 PHE 55 HD2 PHE 55 14.916 11.954 -10.316 421 HE1 PHE 55 HE1 PHE 55 11.408 9.849 -13.048 422 HE2 PHE 55 HE2 PHE 55 12.546 12.306 -9.755 423 HZ PHE 55 HZ PHE 55 10.789 11.252 -11.122 424 H ARG 56 H ARG 56 17.693 9.151 -14.079 425 HA ARG 56 HA ARG 56 20.351 9.612 -13.062 426 HB2 ARG 56 2HB ARG 56 19.492 6.935 -14.096 427 HB3 ARG 56 3HB ARG 56 21.136 7.490 -14.380 428 HG2 ARG 56 2HG ARG 56 20.939 7.969 -11.744 429 HG3 ARG 56 3HG ARG 56 19.838 6.598 -11.894 430 HD2 ARG 56 2HD ARG 56 21.549 5.235 -12.847 431 HD3 ARG 56 3HD ARG 56 22.639 6.613 -13.000 432 HE ARG 56 HE ARG 56 23.258 6.297 -10.828 433 HH11 ARG 56 1HH1 ARG 56 20.215 4.693 -11.365 434 HH12 ARG 56 2HH1 ARG 56 20.177 3.958 -9.797 435 HH21 ARG 56 1HH2 ARG 56 23.220 5.334 -8.760 436 HH22 ARG 56 2HH2 ARG 56 21.886 4.324 -8.316 437 H HIS 57 H HIS 57 21.824 10.228 -14.671 438 HA HIS 57 HA HIS 57 22.488 11.181 -16.627 439 HB2 HIS 57 2HB HIS 57 21.734 8.785 -17.383 440 HB3 HIS 57 3HB HIS 57 20.398 9.652 -18.135 441 HD1 HIS 57 HD1 HIS 57 21.977 8.334 -20.151 442 HD2 HIS 57 HD2 HIS 57 23.202 11.988 -18.600 443 HE1 HIS 57 HE1 HIS 57 23.539 9.303 -21.867 Start of MODEL 9 1 H1 LEU 1 H LEU 1 2.214 -2.096 -2.440 2 HA LEU 1 HA LEU 1 4.357 -1.411 -2.911 3 HB2 LEU 1 2HB LEU 1 3.444 -1.444 -5.765 4 HB3 LEU 1 3HB LEU 1 4.998 -1.941 -5.097 5 HG LEU 1 HG LEU 1 2.378 -3.419 -4.885 6 HD11 LEU 1 1HD1 LEU 1 4.779 -4.686 -6.011 7 HD12 LEU 1 2HD1 LEU 1 4.095 -3.374 -6.971 8 HD13 LEU 1 3HD1 LEU 1 3.097 -4.761 -6.537 9 HD21 LEU 1 1HD2 LEU 1 4.164 -5.163 -3.949 10 HD22 LEU 1 2HD2 LEU 1 3.278 -4.055 -2.902 11 HD23 LEU 1 3HD2 LEU 1 4.926 -3.671 -3.398 12 H GLU 2 H GLU 2 3.119 0.804 -2.129 13 HA GLU 2 HA GLU 2 3.242 3.075 -2.187 14 HB2 GLU 2 2HB GLU 2 5.578 2.153 -3.512 15 HB3 GLU 2 3HB GLU 2 4.971 3.532 -4.418 16 HG2 GLU 2 2HG GLU 2 6.526 4.334 -2.811 17 HG3 GLU 2 3HG GLU 2 4.913 4.823 -2.295 18 H TYR 3 H TYR 3 2.670 4.981 -3.491 19 HA TYR 3 HA TYR 3 0.616 4.288 -5.403 20 HB2 TYR 3 2HB TYR 3 1.467 6.834 -4.053 21 HB3 TYR 3 3HB TYR 3 0.348 6.869 -5.411 22 HD1 TYR 3 HD1 TYR 3 0.596 6.685 -1.920 23 HD2 TYR 3 HD2 TYR 3 -1.697 5.197 -5.180 24 HE1 TYR 3 HE1 TYR 3 -1.267 6.212 -0.385 25 HE2 TYR 3 HE2 TYR 3 -3.567 4.721 -3.655 26 HH TYR 3 HH TYR 3 -4.163 4.530 -1.476 27 H LYS 4 H LYS 4 0.543 4.856 -7.554 28 HA LYS 4 HA LYS 4 3.108 5.208 -8.837 29 HB2 LYS 4 2HB LYS 4 0.327 4.884 -9.978 30 HB3 LYS 4 3HB LYS 4 1.798 4.951 -10.940 31 HG2 LYS 4 2HG LYS 4 1.067 2.848 -8.914 32 HG3 LYS 4 3HG LYS 4 1.112 2.664 -10.669 33 HD2 LYS 4 2HD LYS 4 3.584 3.366 -10.457 34 HD3 LYS 4 3HD LYS 4 3.391 2.983 -8.745 35 HE2 LYS 4 2HE LYS 4 2.965 1.124 -11.081 36 HE3 LYS 4 3HE LYS 4 4.278 1.062 -9.906 37 HZ1 LYS 4 1HZ LYS 4 2.687 -0.564 -9.294 38 HZ2 LYS 4 2HZ LYS 4 1.402 0.529 -9.418 39 HZ3 LYS 4 3HZ LYS 4 2.539 0.699 -8.177 40 H GLY 5 H GLY 5 3.939 7.190 -8.983 41 HA2 GLY 5 2HA GLY 5 2.166 9.353 -9.916 42 HA3 GLY 5 3HA GLY 5 3.259 9.620 -8.565 43 H GLU 6 H GLU 6 3.225 11.101 -11.000 44 HA GLU 6 HA GLU 6 5.768 10.272 -12.231 45 HB2 GLU 6 2HB GLU 6 5.017 11.967 -14.037 46 HB3 GLU 6 3HB GLU 6 4.236 10.393 -13.978 47 HG2 GLU 6 2HG GLU 6 2.344 11.353 -12.795 48 HG3 GLU 6 3HG GLU 6 3.130 12.931 -12.798 49 H CYS 7 H CYS 7 7.104 12.164 -13.040 50 HA CYS 7 HA CYS 7 7.071 14.329 -11.040 51 HB2 CYS 7 2HB CYS 7 9.226 13.956 -10.537 52 HB3 CYS 7 3HB CYS 7 9.045 12.418 -11.374 53 H PHE 8 H PHE 8 8.116 16.346 -11.760 54 HA PHE 8 HA PHE 8 7.491 16.852 -14.583 55 HB2 PHE 8 2HB PHE 8 7.575 18.615 -12.148 56 HB3 PHE 8 3HB PHE 8 7.626 19.304 -13.767 57 HD1 PHE 8 HD1 PHE 8 5.625 20.062 -14.568 58 HD2 PHE 8 HD2 PHE 8 5.650 16.699 -11.959 59 HE1 PHE 8 HE1 PHE 8 3.170 19.951 -14.693 60 HE2 PHE 8 HE2 PHE 8 3.196 16.582 -12.080 61 HZ PHE 8 HZ PHE 8 1.952 18.209 -13.449 62 H THR 9 H THR 9 8.855 18.758 -15.494 63 HA THR 9 HA THR 9 11.424 17.902 -15.961 64 HB THR 9 HB THR 9 11.491 20.741 -16.113 65 HG1 THR 9 HG1 THR 9 9.389 21.110 -16.166 66 HG21 THR 9 1HG2 THR 9 12.184 18.648 -17.675 67 HG22 THR 9 2HG2 THR 9 12.073 20.310 -18.257 68 HG23 THR 9 3HG2 THR 9 10.730 19.195 -18.508 69 H LYS 10 H LYS 10 13.329 19.679 -15.533 70 HA LYS 10 HA LYS 10 14.218 19.215 -12.946 71 HB2 LYS 10 2HB LYS 10 15.260 20.377 -15.240 72 HB3 LYS 10 3HB LYS 10 15.280 21.688 -14.068 73 HG2 LYS 10 2HG LYS 10 17.193 20.858 -13.320 74 HG3 LYS 10 3HG LYS 10 16.268 19.501 -12.673 75 HD2 LYS 10 2HD LYS 10 17.493 18.195 -14.005 76 HD3 LYS 10 3HD LYS 10 16.579 18.876 -15.352 77 HE2 LYS 10 2HE LYS 10 18.308 20.143 -16.050 78 HE3 LYS 10 3HE LYS 10 18.830 20.516 -14.408 79 HZ1 LYS 10 1HZ LYS 10 19.981 18.721 -16.171 80 HZ2 LYS 10 2HZ LYS 10 19.258 17.779 -14.967 81 HZ3 LYS 10 3HZ LYS 10 20.387 18.966 -14.546 82 H ASP 11 H ASP 11 11.673 21.103 -13.778 83 HA ASP 11 HA ASP 11 12.025 23.394 -12.150 84 HB2 ASP 11 2HB ASP 11 9.629 22.040 -13.360 85 HB3 ASP 11 3HB ASP 11 9.434 23.405 -12.264 86 H ASN 12 H ASN 12 11.807 20.218 -11.284 87 HA ASN 12 HA ASN 12 11.502 19.137 -9.306 88 HB2 ASN 12 2HB ASN 12 12.517 21.628 -8.626 89 HB3 ASN 12 3HB ASN 12 11.098 21.465 -7.596 90 HD21 ASN 12 1HD2 ASN 12 13.240 18.933 -8.786 91 HD22 ASN 12 2HD2 ASN 12 13.799 18.426 -7.232 92 H THR 13 H THR 13 9.503 18.263 -9.795 93 HA THR 13 HA THR 13 7.334 19.103 -8.142 94 HB THR 13 HB THR 13 6.199 19.052 -10.797 95 HG1 THR 13 HG1 THR 13 8.390 20.057 -11.124 96 HG21 THR 13 1HG2 THR 13 6.074 21.555 -9.297 97 HG22 THR 13 2HG2 THR 13 5.630 20.143 -8.338 98 HG23 THR 13 3HG2 THR 13 4.774 20.495 -9.839 99 H CYS 14 H CYS 14 5.535 17.623 -8.200 100 HA CYS 14 HA CYS 14 5.829 15.215 -9.801 101 HB2 CYS 14 2HB CYS 14 6.355 15.351 -6.880 102 HB3 CYS 14 3HB CYS 14 5.418 13.976 -7.456 103 H LYS 15 H LYS 15 3.930 14.057 -10.044 104 HA LYS 15 HA LYS 15 1.547 15.179 -8.726 105 HB2 LYS 15 2HB LYS 15 1.556 16.001 -10.990 106 HB3 LYS 15 3HB LYS 15 1.881 14.393 -11.624 107 HG2 LYS 15 2HG LYS 15 -0.429 14.964 -11.985 108 HG3 LYS 15 3HG LYS 15 -0.319 13.651 -10.810 109 HD2 LYS 15 2HD LYS 15 -1.601 14.877 -9.462 110 HD3 LYS 15 3HD LYS 15 -0.234 15.979 -9.284 111 HE2 LYS 15 2HE LYS 15 -1.109 17.514 -10.723 112 HE3 LYS 15 3HE LYS 15 -1.943 16.297 -11.687 113 HZ1 LYS 15 1HZ LYS 15 -2.934 16.566 -8.990 114 HZ2 LYS 15 2HZ LYS 15 -3.782 16.467 -10.450 115 HZ3 LYS 15 3HZ LYS 15 -3.143 17.949 -9.943 116 H TYR 16 H TYR 16 0.771 13.665 -7.415 117 HA TYR 16 HA TYR 16 0.784 10.868 -8.343 118 HB2 TYR 16 2HB TYR 16 0.987 10.140 -6.085 119 HB3 TYR 16 3HB TYR 16 2.181 11.416 -6.302 120 HD1 TYR 16 HD1 TYR 16 1.371 13.826 -5.626 121 HD2 TYR 16 HD2 TYR 16 -0.407 10.218 -4.240 122 HE1 TYR 16 HE1 TYR 16 0.437 15.034 -3.698 123 HE2 TYR 16 HE2 TYR 16 -1.347 11.416 -2.309 124 HH TYR 16 HH TYR 16 -0.358 14.529 -1.419 125 H LYS 17 H LYS 17 -1.048 9.583 -7.919 126 HA LYS 17 HA LYS 17 -3.501 11.128 -7.384 127 HB2 LYS 17 2HB LYS 17 -3.463 10.390 -9.681 128 HB3 LYS 17 3HB LYS 17 -3.065 8.747 -9.193 129 HG2 LYS 17 2HG LYS 17 -5.226 8.427 -8.240 130 HG3 LYS 17 3HG LYS 17 -5.629 10.133 -8.448 131 HD2 LYS 17 2HD LYS 17 -6.124 9.881 -10.636 132 HD3 LYS 17 3HD LYS 17 -4.824 8.717 -10.901 133 HE2 LYS 17 2HE LYS 17 -6.688 7.395 -11.186 134 HE3 LYS 17 3HE LYS 17 -6.334 7.136 -9.478 135 HZ1 LYS 17 1HZ LYS 17 -8.293 9.124 -10.488 136 HZ2 LYS 17 2HZ LYS 17 -8.028 8.687 -8.875 137 HZ3 LYS 17 3HZ LYS 17 -8.705 7.573 -9.953 138 H ILE 18 H ILE 18 -4.933 10.376 -5.903 139 HA ILE 18 HA ILE 18 -4.331 7.789 -4.629 140 HB ILE 18 HB ILE 18 -5.265 10.267 -3.178 141 HG12 ILE 18 2HG1 ILE 18 -2.941 10.502 -3.942 142 HG13 ILE 18 3HG1 ILE 18 -3.019 10.326 -2.192 143 HG21 ILE 18 1HG2 ILE 18 -4.519 8.790 -1.193 144 HG22 ILE 18 2HG2 ILE 18 -6.074 8.466 -1.959 145 HG23 ILE 18 3HG2 ILE 18 -4.678 7.456 -2.336 146 HD11 ILE 18 1HD1 ILE 18 -1.472 8.757 -2.412 147 HD12 ILE 18 2HD1 ILE 18 -2.731 7.737 -3.109 148 HD13 ILE 18 3HD1 ILE 18 -1.685 8.689 -4.161 149 H ASP 19 H ASP 19 -6.090 6.616 -3.830 150 HA ASP 19 HA ASP 19 -8.407 6.584 -5.307 151 HB2 ASP 19 2HB ASP 19 -7.689 4.725 -3.871 152 HB3 ASP 19 3HB ASP 19 -8.074 5.677 -2.440 153 H GLY 20 H GLY 20 -10.008 7.995 -5.506 154 HA2 GLY 20 2HA GLY 20 -11.903 9.093 -4.469 155 HA3 GLY 20 3HA GLY 20 -10.861 9.490 -3.110 156 H LYS 21 H LYS 21 -9.053 10.996 -3.563 157 HA LYS 21 HA LYS 21 -9.728 12.889 -5.716 158 HB2 LYS 21 2HB LYS 21 -9.135 13.429 -2.819 159 HB3 LYS 21 3HB LYS 21 -8.839 14.657 -4.043 160 HG2 LYS 21 2HG LYS 21 -11.494 13.330 -3.533 161 HG3 LYS 21 3HG LYS 21 -11.015 14.919 -2.932 162 HD2 LYS 21 2HD LYS 21 -11.244 14.109 -5.831 163 HD3 LYS 21 3HD LYS 21 -12.384 15.121 -4.941 164 HE2 LYS 21 2HE LYS 21 -9.975 16.371 -4.502 165 HE3 LYS 21 3HE LYS 21 -9.825 15.804 -6.164 166 HZ1 LYS 21 1HZ LYS 21 -10.779 17.964 -6.205 167 HZ2 LYS 21 2HZ LYS 21 -11.949 17.552 -5.054 168 HZ3 LYS 21 3HZ LYS 21 -12.009 16.872 -6.602 169 H THR 22 H THR 22 -7.995 14.039 -6.635 170 HA THR 22 HA THR 22 -5.397 12.725 -6.267 171 HB THR 22 HB THR 22 -6.406 14.426 -8.556 172 HG1 THR 22 HG1 THR 22 -6.167 12.309 -9.636 173 HG21 THR 22 1HG2 THR 22 -4.033 14.732 -8.366 174 HG22 THR 22 2HG2 THR 22 -4.333 13.619 -9.701 175 HG23 THR 22 3HG2 THR 22 -3.778 13.001 -8.145 176 H TYR 23 H TYR 23 -3.553 13.851 -5.796 177 HA TYR 23 HA TYR 23 -3.787 16.754 -5.410 178 HB2 TYR 23 2HB TYR 23 -2.231 15.133 -3.434 179 HB3 TYR 23 3HB TYR 23 -2.985 16.711 -3.236 180 HD1 TYR 23 HD1 TYR 23 -5.206 16.914 -2.424 181 HD2 TYR 23 HD2 TYR 23 -3.656 13.079 -3.422 182 HE1 TYR 23 HE1 TYR 23 -7.146 15.856 -1.344 183 HE2 TYR 23 HE2 TYR 23 -5.592 12.010 -2.346 184 HH TYR 23 HH TYR 23 -7.433 13.249 -0.226 185 H LEU 24 H LEU 24 -1.565 17.743 -5.014 186 HA LEU 24 HA LEU 24 0.304 16.552 -6.936 187 HB2 LEU 24 2HB LEU 24 -0.563 18.869 -7.305 188 HB3 LEU 24 3HB LEU 24 0.286 19.358 -5.840 189 HG LEU 24 HG LEU 24 2.396 18.476 -7.045 190 HD11 LEU 24 1HD1 LEU 24 1.283 17.343 -8.872 191 HD12 LEU 24 2HD1 LEU 24 2.279 18.659 -9.492 192 HD13 LEU 24 3HD1 LEU 24 0.530 18.854 -9.382 193 HD21 LEU 24 1HD2 LEU 24 0.899 21.004 -7.491 194 HD22 LEU 24 2HD2 LEU 24 2.342 20.708 -8.462 195 HD23 LEU 24 3HD2 LEU 24 2.453 20.731 -6.701 196 H ALA 25 H ALA 25 2.517 16.379 -6.473 197 HA ALA 25 HA ALA 25 3.224 16.610 -3.621 198 HB1 ALA 25 1HB ALA 25 3.365 14.383 -3.604 199 HB2 ALA 25 2HB ALA 25 3.291 14.279 -5.363 200 HB3 ALA 25 3HB ALA 25 4.832 14.588 -4.563 201 H LYS 26 H LYS 26 5.413 17.081 -3.150 202 HA LYS 26 HA LYS 26 6.847 18.341 -5.392 203 HB2 LYS 26 2HB LYS 26 6.283 20.012 -3.807 204 HB3 LYS 26 3HB LYS 26 6.749 18.993 -2.452 205 HG2 LYS 26 2HG LYS 26 8.371 20.770 -2.850 206 HG3 LYS 26 3HG LYS 26 9.085 19.173 -3.089 207 HD2 LYS 26 2HD LYS 26 9.618 19.663 -5.194 208 HD3 LYS 26 3HD LYS 26 7.962 20.157 -5.552 209 HE2 LYS 26 2HE LYS 26 9.642 21.949 -5.918 210 HE3 LYS 26 3HE LYS 26 8.391 22.378 -4.752 211 HZ1 LYS 26 1HZ LYS 26 10.714 22.974 -4.100 212 HZ2 LYS 26 2HZ LYS 26 11.045 21.322 -3.960 213 HZ3 LYS 26 3HZ LYS 26 9.879 22.038 -2.966 214 H CYS 27 H CYS 27 9.002 17.923 -5.721 215 HA CYS 27 HA CYS 27 10.116 15.688 -4.159 216 HB2 CYS 27 2HB CYS 27 10.219 16.401 -7.048 217 HB3 CYS 27 3HB CYS 27 11.641 15.633 -6.351 218 HA PRO 28 HA PRO 28 13.549 18.074 -2.833 219 HB2 PRO 28 2HB PRO 28 15.623 16.340 -3.088 220 HB3 PRO 28 3HB PRO 28 14.378 16.173 -1.844 221 HG2 PRO 28 2HG PRO 28 14.632 14.759 -4.470 222 HG3 PRO 28 3HG PRO 28 14.192 14.101 -2.884 223 HD2 PRO 28 2HD PRO 28 12.351 14.675 -4.784 224 HD3 PRO 28 3HD PRO 28 12.010 14.825 -3.049 225 H SER 29 H SER 29 15.381 19.254 -3.497 226 HA SER 29 HA SER 29 15.567 19.607 -6.364 227 HB2 SER 29 2HB SER 29 17.450 21.175 -4.793 228 HB3 SER 29 3HB SER 29 16.152 21.718 -5.855 229 HG SER 29 HG SER 29 16.073 22.136 -3.430 230 H ALA 30 H ALA 30 17.049 17.628 -4.166 231 HA ALA 30 HA ALA 30 19.754 17.704 -4.672 232 HB1 ALA 30 1HB ALA 30 19.611 16.009 -3.248 233 HB2 ALA 30 2HB ALA 30 17.892 15.809 -3.593 234 HB3 ALA 30 3HB ALA 30 19.093 14.979 -4.584 235 H ALA 31 H ALA 31 21.003 17.367 -6.392 236 HA ALA 31 HA ALA 31 20.000 17.006 -8.967 237 HB1 ALA 31 1HB ALA 31 22.510 17.491 -7.797 238 HB2 ALA 31 2HB ALA 31 22.706 16.082 -8.841 239 HB3 ALA 31 3HB ALA 31 22.072 17.589 -9.503 240 H ASN 32 H ASN 32 20.736 14.694 -6.521 241 HA ASN 32 HA ASN 32 20.972 12.459 -8.335 242 HB2 ASN 32 2HB ASN 32 21.631 12.951 -5.632 243 HB3 ASN 32 3HB ASN 32 20.438 11.655 -5.626 244 HD21 ASN 32 1HD2 ASN 32 23.666 12.511 -6.195 245 HD22 ASN 32 2HD2 ASN 32 24.223 10.980 -6.770 246 H THR 33 H THR 33 18.468 14.091 -6.608 247 HA THR 33 HA THR 33 16.564 11.972 -7.369 248 HB THR 33 HB THR 33 15.106 13.205 -5.555 249 HG1 THR 33 HG1 THR 33 16.758 13.744 -3.806 250 HG21 THR 33 1HG2 THR 33 16.704 10.900 -5.591 251 HG22 THR 33 2HG2 THR 33 15.373 11.263 -4.492 252 HG23 THR 33 3HG2 THR 33 17.026 11.682 -4.044 253 H LYS 34 H LYS 34 17.615 14.511 -8.739 254 HA LYS 34 HA LYS 34 15.197 16.098 -8.998 255 HB2 LYS 34 2HB LYS 34 18.022 16.346 -9.918 256 HB3 LYS 34 3HB LYS 34 16.781 17.191 -10.834 257 HG2 LYS 34 2HG LYS 34 16.598 17.561 -7.936 258 HG3 LYS 34 3HG LYS 34 18.078 18.189 -8.665 259 HD2 LYS 34 2HD LYS 34 15.589 18.805 -10.115 260 HD3 LYS 34 3HD LYS 34 15.751 19.562 -8.529 261 HE2 LYS 34 2HE LYS 34 18.087 19.656 -10.360 262 HE3 LYS 34 3HE LYS 34 16.705 20.682 -10.740 263 HZ1 LYS 34 1HZ LYS 34 16.856 21.616 -8.500 264 HZ2 LYS 34 2HZ LYS 34 18.280 21.868 -9.376 265 HZ3 LYS 34 3HZ LYS 34 18.221 20.667 -8.187 266 H CYS 35 H CYS 35 14.723 16.772 -11.401 267 HA CYS 35 HA CYS 35 14.579 14.306 -13.010 268 HB2 CYS 35 2HB CYS 35 12.501 16.475 -12.668 269 HB3 CYS 35 3HB CYS 35 12.405 15.209 -13.888 270 H GLU 36 H GLU 36 15.309 14.420 -15.041 271 HA GLU 36 HA GLU 36 16.357 16.967 -15.981 272 HB2 GLU 36 2HB GLU 36 17.897 15.185 -16.209 273 HB3 GLU 36 3HB GLU 36 16.682 14.117 -16.898 274 HG2 GLU 36 2HG GLU 36 18.342 14.969 -18.532 275 HG3 GLU 36 3HG GLU 36 16.667 15.327 -18.947 276 H LYS 37 H LYS 37 13.694 14.862 -16.539 277 HA LYS 37 HA LYS 37 12.679 16.686 -18.574 278 HB2 LYS 37 2HB LYS 37 13.910 14.577 -19.558 279 HB3 LYS 37 3HB LYS 37 12.417 13.756 -19.121 280 HG2 LYS 37 2HG LYS 37 11.144 15.274 -20.520 281 HG3 LYS 37 3HG LYS 37 12.615 16.164 -20.919 282 HD2 LYS 37 2HD LYS 37 13.483 14.389 -22.177 283 HD3 LYS 37 3HD LYS 37 12.368 13.222 -21.462 284 HE2 LYS 37 2HE LYS 37 11.251 13.507 -23.400 285 HE3 LYS 37 3HE LYS 37 10.613 14.931 -22.580 286 HZ1 LYS 37 1HZ LYS 37 13.063 15.600 -23.769 287 HZ2 LYS 37 2HZ LYS 37 11.522 16.197 -24.131 288 HZ3 LYS 37 3HZ LYS 37 12.109 14.828 -24.933 289 H ASP 38 H ASP 38 10.472 16.874 -18.587 290 HA ASP 38 HA ASP 38 9.074 16.068 -16.263 291 HB2 ASP 38 2HB ASP 38 8.563 18.122 -17.576 292 HB3 ASP 38 3HB ASP 38 7.917 17.103 -18.859 293 H GLY 39 H GLY 39 7.397 14.583 -15.990 294 HA2 GLY 39 2HA GLY 39 5.927 12.868 -16.711 295 HA3 GLY 39 3HA GLY 39 6.862 12.725 -18.191 296 H ASN 40 H ASN 40 9.184 12.894 -15.980 297 HA ASN 40 HA ASN 40 9.966 10.231 -16.156 298 HB2 ASN 40 2HB ASN 40 10.954 12.609 -14.954 299 HB3 ASN 40 3HB ASN 40 10.996 11.344 -13.729 300 HD21 ASN 40 1HD2 ASN 40 12.201 12.399 -16.807 301 HD22 ASN 40 2HD2 ASN 40 13.501 11.266 -16.915 302 H LYS 41 H LYS 41 10.519 9.034 -13.917 303 HA LYS 41 HA LYS 41 7.942 8.257 -12.876 304 HB2 LYS 41 2HB LYS 41 10.511 7.050 -13.158 305 HB3 LYS 41 3HB LYS 41 10.064 6.989 -11.458 306 HG2 LYS 41 2HG LYS 41 8.461 5.924 -13.774 307 HG3 LYS 41 3HG LYS 41 9.343 4.979 -12.572 308 HD2 LYS 41 2HD LYS 41 7.808 6.378 -10.913 309 HD3 LYS 41 3HD LYS 41 6.764 6.433 -12.335 310 HE2 LYS 41 2HE LYS 41 7.815 3.988 -10.922 311 HE3 LYS 41 3HE LYS 41 6.141 4.532 -11.021 312 HZ1 LYS 41 1HZ LYS 41 7.762 3.139 -12.999 313 HZ2 LYS 41 2HZ LYS 41 6.697 4.311 -13.593 314 HZ3 LYS 41 3HZ LYS 41 6.106 3.017 -12.677 315 H CYS 42 H CYS 42 7.345 8.252 -10.671 316 HA CYS 42 HA CYS 42 8.964 9.768 -8.793 317 HB2 CYS 42 2HB CYS 42 7.487 11.392 -10.096 318 HB3 CYS 42 3HB CYS 42 6.118 10.629 -9.296 319 H THR 43 H THR 43 8.175 9.627 -6.592 320 HA THR 43 HA THR 43 6.173 7.532 -6.129 321 HB THR 43 HB THR 43 8.214 7.234 -4.160 322 HG1 THR 43 HG1 THR 43 9.171 6.914 -6.826 323 HG21 THR 43 1HG2 THR 43 6.720 5.456 -4.679 324 HG22 THR 43 2HG2 THR 43 8.324 4.927 -5.185 325 HG23 THR 43 3HG2 THR 43 7.162 5.494 -6.385 326 H TYR 44 H TYR 44 4.958 7.782 -4.297 327 HA TYR 44 HA TYR 44 5.644 10.005 -2.501 328 HB2 TYR 44 2HB TYR 44 4.014 11.080 -3.741 329 HB3 TYR 44 3HB TYR 44 3.129 9.594 -4.064 330 HD1 TYR 44 HD1 TYR 44 1.386 8.860 -2.617 331 HD2 TYR 44 HD2 TYR 44 3.806 12.183 -1.519 332 HE1 TYR 44 HE1 TYR 44 -0.183 9.395 -0.801 333 HE2 TYR 44 HE2 TYR 44 2.244 12.727 0.301 334 HH TYR 44 HH TYR 44 -0.691 11.877 0.520 335 H ASP 45 H ASP 45 5.681 9.372 -0.458 336 HA ASP 45 HA ASP 45 4.373 6.862 0.280 337 HB2 ASP 45 2HB ASP 45 6.838 7.399 0.787 338 HB3 ASP 45 3HB ASP 45 6.214 8.469 2.040 339 H SER 46 H SER 46 2.505 6.856 1.326 340 HA SER 46 HA SER 46 1.385 9.328 2.317 341 HB2 SER 46 2HB SER 46 -0.380 8.207 1.437 342 HB3 SER 46 3HB SER 46 0.385 6.633 1.658 343 HG SER 46 HG SER 46 -0.322 6.576 3.739 344 H TYR 47 H TYR 47 3.241 6.812 3.590 345 HA TYR 47 HA TYR 47 2.186 6.876 6.265 346 HB2 TYR 47 2HB TYR 47 3.322 4.879 5.266 347 HB3 TYR 47 3HB TYR 47 4.838 5.771 5.321 348 HD1 TYR 47 HD1 TYR 47 6.078 5.962 7.338 349 HD2 TYR 47 HD2 TYR 47 2.170 4.279 7.400 350 HE1 TYR 47 HE1 TYR 47 6.451 5.196 9.645 351 HE2 TYR 47 HE2 TYR 47 2.532 3.510 9.708 352 HH TYR 47 HH TYR 47 5.585 3.466 11.173 353 H ASN 48 H ASN 48 5.021 8.201 4.603 354 HA ASN 48 HA ASN 48 5.590 9.828 6.989 355 HB2 ASN 48 2HB ASN 48 7.730 10.079 5.185 356 HB3 ASN 48 3HB ASN 48 7.707 9.165 6.690 357 HD21 ASN 48 1HD2 ASN 48 8.196 8.993 3.423 358 HD22 ASN 48 2HD2 ASN 48 8.046 7.285 3.210 359 H ARG 49 H ARG 49 4.012 10.033 4.145 360 HA ARG 49 HA ARG 49 3.360 11.717 2.757 361 HB2 ARG 49 2HB ARG 49 4.189 13.604 4.955 362 HB3 ARG 49 3HB ARG 49 2.909 13.816 3.769 363 HG2 ARG 49 2HG ARG 49 1.835 11.756 4.873 364 HG3 ARG 49 3HG ARG 49 2.948 12.080 6.204 365 HD2 ARG 49 2HD ARG 49 2.030 14.267 6.525 366 HD3 ARG 49 3HD ARG 49 1.057 14.127 5.061 367 HE ARG 49 HE ARG 49 0.254 12.044 6.646 368 HH11 ARG 49 1HH1 ARG 49 0.423 15.505 6.980 369 HH12 ARG 49 2HH1 ARG 49 -0.932 15.598 8.057 370 HH21 ARG 49 1HH2 ARG 49 -1.531 12.153 8.063 371 HH22 ARG 49 2HH2 ARG 49 -2.041 13.691 8.673 372 H LYS 50 H LYS 50 6.162 10.863 2.679 373 HA LYS 50 HA LYS 50 7.437 13.344 1.734 374 HB2 LYS 50 2HB LYS 50 8.883 12.486 3.339 375 HB3 LYS 50 3HB LYS 50 8.530 10.817 2.912 376 HG2 LYS 50 2HG LYS 50 10.082 10.761 1.272 377 HG3 LYS 50 3HG LYS 50 9.840 12.454 0.834 378 HD2 LYS 50 2HD LYS 50 11.734 12.909 1.914 379 HD3 LYS 50 3HD LYS 50 10.889 12.524 3.415 380 HE2 LYS 50 2HE LYS 50 11.666 10.291 3.388 381 HE3 LYS 50 3HE LYS 50 12.217 10.425 1.719 382 HZ1 LYS 50 1HZ LYS 50 14.198 10.858 2.603 383 HZ2 LYS 50 2HZ LYS 50 13.565 11.137 4.146 384 HZ3 LYS 50 3HZ LYS 50 13.589 12.385 3.005 385 H VAL 51 H VAL 51 8.109 13.517 -0.342 386 HA VAL 51 HA VAL 51 7.455 11.273 -2.128 387 HB VAL 51 HB VAL 51 7.793 14.190 -2.842 388 HG11 VAL 51 1HG1 VAL 51 7.125 13.653 -5.009 389 HG12 VAL 51 2HG1 VAL 51 8.231 12.346 -4.583 390 HG13 VAL 51 3HG1 VAL 51 6.488 12.082 -4.526 391 HG21 VAL 51 1HG2 VAL 51 5.138 13.069 -3.155 392 HG22 VAL 51 2HG2 VAL 51 5.683 13.020 -1.478 393 HG23 VAL 51 3HG2 VAL 51 5.648 14.553 -2.350 394 H LYS 52 H LYS 52 9.079 10.176 -2.988 395 HA LYS 52 HA LYS 52 11.704 11.498 -3.223 396 HB2 LYS 52 2HB LYS 52 11.770 9.707 -1.586 397 HB3 LYS 52 3HB LYS 52 11.056 8.585 -2.736 398 HG2 LYS 52 2HG LYS 52 13.064 8.866 -4.171 399 HG3 LYS 52 3HG LYS 52 13.782 9.850 -2.894 400 HD2 LYS 52 2HD LYS 52 12.919 7.554 -1.591 401 HD3 LYS 52 3HD LYS 52 13.577 6.967 -3.120 402 HE2 LYS 52 2HE LYS 52 15.060 8.915 -1.378 403 HE3 LYS 52 3HE LYS 52 15.187 7.171 -1.152 404 HZ1 LYS 52 1HZ LYS 52 15.684 7.273 -3.717 405 HZ2 LYS 52 2HZ LYS 52 16.907 7.511 -2.574 406 HZ3 LYS 52 3HZ LYS 52 16.190 8.841 -3.333 407 H CYS 53 H CYS 53 12.644 11.579 -5.174 408 HA CYS 53 HA CYS 53 11.374 10.070 -7.365 409 HB2 CYS 53 2HB CYS 53 12.684 12.796 -7.424 410 HB3 CYS 53 3HB CYS 53 12.139 11.924 -8.853 411 H ASP 54 H ASP 54 12.652 8.975 -8.791 412 HA ASP 54 HA ASP 54 15.560 9.193 -8.519 413 HB2 ASP 54 2HB ASP 54 15.471 6.556 -8.739 414 HB3 ASP 54 3HB ASP 54 15.376 7.343 -7.166 415 H PHE 55 H PHE 55 16.733 8.579 -10.351 416 HA PHE 55 HA PHE 55 15.141 8.524 -12.804 417 HB2 PHE 55 2HB PHE 55 17.570 9.795 -12.046 418 HB3 PHE 55 3HB PHE 55 17.945 8.660 -13.338 419 HD1 PHE 55 HD1 PHE 55 14.977 10.821 -12.690 420 HD2 PHE 55 HD2 PHE 55 18.191 9.832 -15.299 421 HE1 PHE 55 HE1 PHE 55 14.126 12.432 -14.344 422 HE2 PHE 55 HE2 PHE 55 17.346 11.441 -16.956 423 HZ PHE 55 HZ PHE 55 15.312 12.745 -16.480 424 H ARG 56 H ARG 56 15.017 6.796 -14.096 425 HA ARG 56 HA ARG 56 16.983 4.645 -13.819 426 HB2 ARG 56 2HB ARG 56 14.003 4.363 -13.481 427 HB3 ARG 56 3HB ARG 56 15.022 3.003 -13.932 428 HG2 ARG 56 2HG ARG 56 16.186 4.284 -11.677 429 HG3 ARG 56 3HG ARG 56 14.473 4.012 -11.352 430 HD2 ARG 56 2HD ARG 56 16.487 1.948 -12.234 431 HD3 ARG 56 3HD ARG 56 15.782 2.104 -10.626 432 HE ARG 56 HE ARG 56 13.626 1.804 -12.251 433 HH11 ARG 56 1HH1 ARG 56 16.556 -0.009 -11.749 434 HH12 ARG 56 2HH1 ARG 56 15.835 -1.533 -12.146 435 HH21 ARG 56 1HH2 ARG 56 12.665 -0.197 -12.776 436 HH22 ARG 56 2HH2 ARG 56 13.622 -1.639 -12.731 437 H HIS 57 H HIS 57 17.216 3.335 -15.652 438 HA HIS 57 HA HIS 57 17.261 2.854 -17.875 439 HB2 HIS 57 2HB HIS 57 14.546 3.150 -17.222 440 HB3 HIS 57 3HB HIS 57 14.770 4.054 -18.717 441 HD1 HIS 57 HD1 HIS 57 13.671 0.918 -17.791 442 HD2 HIS 57 HD2 HIS 57 16.556 2.175 -20.504 443 HE1 HIS 57 HE1 HIS 57 13.961 -0.994 -19.398 Start of MODEL 10 1 H1 LEU 1 H LEU 1 2.177 0.437 1.510 2 HA LEU 1 HA LEU 1 2.801 -0.305 -0.584 3 HB2 LEU 1 2HB LEU 1 -0.018 -0.596 -0.676 4 HB3 LEU 1 3HB LEU 1 0.487 0.204 -2.164 5 HG LEU 1 HG LEU 1 2.106 -2.134 -1.478 6 HD11 LEU 1 1HD1 LEU 1 0.525 -3.813 -1.771 7 HD12 LEU 1 2HD1 LEU 1 -0.689 -2.698 -2.397 8 HD13 LEU 1 3HD1 LEU 1 -0.279 -2.683 -0.681 9 HD21 LEU 1 1HD2 LEU 1 1.252 -2.606 -3.924 10 HD22 LEU 1 2HD2 LEU 1 2.486 -1.387 -3.606 11 HD23 LEU 1 3HD2 LEU 1 0.808 -0.901 -3.855 12 H GLU 2 H GLU 2 4.102 1.060 -1.595 13 HA GLU 2 HA GLU 2 3.836 3.813 -1.664 14 HB2 GLU 2 2HB GLU 2 5.502 1.833 -3.120 15 HB3 GLU 2 3HB GLU 2 5.416 3.452 -3.801 16 HG2 GLU 2 2HG GLU 2 7.058 3.990 -2.415 17 HG3 GLU 2 3HG GLU 2 5.867 3.904 -1.118 18 H TYR 3 H TYR 3 2.868 5.259 -2.971 19 HA TYR 3 HA TYR 3 0.952 4.266 -4.894 20 HB2 TYR 3 2HB TYR 3 1.562 6.975 -3.739 21 HB3 TYR 3 3HB TYR 3 0.482 6.801 -5.118 22 HD1 TYR 3 HD1 TYR 3 -1.398 4.932 -4.765 23 HD2 TYR 3 HD2 TYR 3 0.611 7.007 -1.641 24 HE1 TYR 3 HE1 TYR 3 -3.266 4.438 -3.244 25 HE2 TYR 3 HE2 TYR 3 -1.252 6.518 -0.111 26 HH TYR 3 HH TYR 3 -3.210 4.390 -0.217 27 H LYS 4 H LYS 4 0.935 4.645 -7.085 28 HA LYS 4 HA LYS 4 3.519 5.096 -8.297 29 HB2 LYS 4 2HB LYS 4 2.403 3.383 -9.383 30 HB3 LYS 4 3HB LYS 4 0.840 4.178 -9.257 31 HG2 LYS 4 2HG LYS 4 1.620 4.108 -11.560 32 HG3 LYS 4 3HG LYS 4 1.493 5.770 -10.978 33 HD2 LYS 4 2HD LYS 4 3.913 5.793 -10.556 34 HD3 LYS 4 3HD LYS 4 4.028 4.142 -11.169 35 HE2 LYS 4 2HE LYS 4 2.693 6.057 -12.958 36 HE3 LYS 4 3HE LYS 4 4.403 6.371 -12.668 37 HZ1 LYS 4 1HZ LYS 4 3.137 4.040 -13.940 38 HZ2 LYS 4 2HZ LYS 4 4.639 3.862 -13.182 39 HZ3 LYS 4 3HZ LYS 4 4.462 4.956 -14.460 40 H GLY 5 H GLY 5 4.212 7.110 -8.606 41 HA2 GLY 5 2HA GLY 5 2.326 9.049 -9.775 42 HA3 GLY 5 3HA GLY 5 3.323 9.509 -8.403 43 H GLU 6 H GLU 6 3.315 10.799 -10.935 44 HA GLU 6 HA GLU 6 5.965 10.069 -11.988 45 HB2 GLU 6 2HB GLU 6 5.184 11.579 -13.945 46 HB3 GLU 6 3HB GLU 6 4.523 9.956 -13.808 47 HG2 GLU 6 2HG GLU 6 3.031 12.127 -12.467 48 HG3 GLU 6 3HG GLU 6 3.015 12.106 -14.229 49 H CYS 7 H CYS 7 7.216 11.982 -12.865 50 HA CYS 7 HA CYS 7 6.916 14.293 -11.061 51 HB2 CYS 7 2HB CYS 7 9.105 14.226 -10.477 52 HB3 CYS 7 3HB CYS 7 8.970 12.531 -10.936 53 H PHE 8 H PHE 8 8.171 16.245 -11.915 54 HA PHE 8 HA PHE 8 7.610 16.502 -14.792 55 HB2 PHE 8 2HB PHE 8 7.508 18.483 -12.530 56 HB3 PHE 8 3HB PHE 8 7.612 19.015 -14.205 57 HD1 PHE 8 HD1 PHE 8 5.647 16.508 -12.252 58 HD2 PHE 8 HD2 PHE 8 5.623 19.626 -15.150 59 HE1 PHE 8 HE1 PHE 8 3.206 16.284 -12.468 60 HE2 PHE 8 HE2 PHE 8 3.183 19.408 -15.370 61 HZ PHE 8 HZ PHE 8 1.971 17.736 -14.028 62 H THR 9 H THR 9 8.966 18.430 -15.742 63 HA THR 9 HA THR 9 11.569 17.619 -16.051 64 HB THR 9 HB THR 9 11.555 20.468 -16.282 65 HG1 THR 9 HG1 THR 9 9.683 20.790 -17.455 66 HG21 THR 9 1HG2 THR 9 12.416 18.320 -17.725 67 HG22 THR 9 2HG2 THR 9 12.375 19.979 -18.322 68 HG23 THR 9 3HG2 THR 9 11.052 18.874 -18.695 69 H LYS 10 H LYS 10 13.415 19.459 -15.600 70 HA LYS 10 HA LYS 10 14.218 19.089 -12.977 71 HB2 LYS 10 2HB LYS 10 15.242 20.355 -15.269 72 HB3 LYS 10 3HB LYS 10 15.269 21.574 -14.002 73 HG2 LYS 10 2HG LYS 10 17.260 20.669 -13.518 74 HG3 LYS 10 3HG LYS 10 16.293 19.459 -12.671 75 HD2 LYS 10 2HD LYS 10 17.231 17.917 -13.974 76 HD3 LYS 10 3HD LYS 10 16.349 18.618 -15.333 77 HE2 LYS 10 2HE LYS 10 18.433 20.319 -15.190 78 HE3 LYS 10 3HE LYS 10 19.196 18.847 -14.589 79 HZ1 LYS 10 1HZ LYS 10 17.682 18.172 -16.834 80 HZ2 LYS 10 2HZ LYS 10 19.364 18.145 -16.666 81 HZ3 LYS 10 3HZ LYS 10 18.594 19.538 -17.239 82 H ASP 11 H ASP 11 11.646 20.887 -13.955 83 HA ASP 11 HA ASP 11 11.849 23.194 -12.322 84 HB2 ASP 11 2HB ASP 11 9.492 21.768 -13.553 85 HB3 ASP 11 3HB ASP 11 9.321 23.246 -12.610 86 H ASN 12 H ASN 12 11.693 20.025 -11.446 87 HA ASN 12 HA ASN 12 11.256 18.921 -9.507 88 HB2 ASN 12 2HB ASN 12 11.808 21.698 -8.691 89 HB3 ASN 12 3HB ASN 12 10.908 20.752 -7.510 90 HD21 ASN 12 1HD2 ASN 12 11.947 18.269 -7.816 91 HD22 ASN 12 2HD2 ASN 12 13.623 18.268 -7.395 92 H THR 13 H THR 13 9.275 18.043 -9.969 93 HA THR 13 HA THR 13 7.055 18.993 -8.442 94 HB THR 13 HB THR 13 6.101 18.773 -11.188 95 HG1 THR 13 HG1 THR 13 8.216 19.882 -11.403 96 HG21 THR 13 1HG2 THR 13 5.278 21.177 -10.322 97 HG22 THR 13 2HG2 THR 13 5.666 20.427 -8.773 98 HG23 THR 13 3HG2 THR 13 4.497 19.668 -9.853 99 H CYS 14 H CYS 14 5.357 17.477 -8.306 100 HA CYS 14 HA CYS 14 5.602 14.997 -9.814 101 HB2 CYS 14 2HB CYS 14 6.130 15.266 -6.888 102 HB3 CYS 14 3HB CYS 14 5.292 13.825 -7.455 103 H LYS 15 H LYS 15 3.698 13.856 -9.988 104 HA LYS 15 HA LYS 15 1.357 14.941 -8.576 105 HB2 LYS 15 2HB LYS 15 1.419 15.859 -10.862 106 HB3 LYS 15 3HB LYS 15 1.472 14.225 -11.512 107 HG2 LYS 15 2HG LYS 15 -0.730 13.775 -10.881 108 HG3 LYS 15 3HG LYS 15 -0.780 15.135 -9.757 109 HD2 LYS 15 2HD LYS 15 -0.229 16.378 -12.126 110 HD3 LYS 15 3HD LYS 15 -1.274 15.054 -12.644 111 HE2 LYS 15 2HE LYS 15 -2.652 15.905 -10.505 112 HE3 LYS 15 3HE LYS 15 -1.879 17.418 -10.975 113 HZ1 LYS 15 1HZ LYS 15 -3.605 15.706 -12.679 114 HZ2 LYS 15 2HZ LYS 15 -2.770 17.069 -13.233 115 HZ3 LYS 15 3HZ LYS 15 -3.985 17.238 -12.068 116 H TYR 16 H TYR 16 0.680 13.339 -7.310 117 HA TYR 16 HA TYR 16 0.721 10.593 -8.367 118 HB2 TYR 16 2HB TYR 16 0.728 9.823 -6.069 119 HB3 TYR 16 3HB TYR 16 2.030 10.987 -6.295 120 HD1 TYR 16 HD1 TYR 16 1.652 13.374 -5.505 121 HD2 TYR 16 HD2 TYR 16 -0.904 10.153 -4.414 122 HE1 TYR 16 HE1 TYR 16 0.804 14.697 -3.612 123 HE2 TYR 16 HE2 TYR 16 -1.760 11.467 -2.519 124 HH TYR 16 HH TYR 16 -0.577 13.609 -1.082 125 H LYS 17 H LYS 17 -1.082 9.202 -7.852 126 HA LYS 17 HA LYS 17 -3.605 10.694 -7.540 127 HB2 LYS 17 2HB LYS 17 -3.449 9.837 -9.784 128 HB3 LYS 17 3HB LYS 17 -2.997 8.242 -9.196 129 HG2 LYS 17 2HG LYS 17 -5.214 7.993 -8.186 130 HG3 LYS 17 3HG LYS 17 -5.665 9.583 -8.805 131 HD2 LYS 17 2HD LYS 17 -4.585 7.712 -10.805 132 HD3 LYS 17 3HD LYS 17 -6.136 7.251 -10.100 133 HE2 LYS 17 2HE LYS 17 -7.207 9.143 -10.904 134 HE3 LYS 17 3HE LYS 17 -5.701 10.043 -11.082 135 HZ1 LYS 17 1HZ LYS 17 -7.048 8.410 -12.976 136 HZ2 LYS 17 2HZ LYS 17 -5.463 7.867 -12.748 137 HZ3 LYS 17 3HZ LYS 17 -5.749 9.469 -13.209 138 H ILE 18 H ILE 18 -5.074 9.986 -6.077 139 HA ILE 18 HA ILE 18 -4.470 7.484 -4.645 140 HB ILE 18 HB ILE 18 -5.494 10.019 -3.362 141 HG12 ILE 18 2HG1 ILE 18 -3.141 10.235 -4.046 142 HG13 ILE 18 3HG1 ILE 18 -3.293 10.164 -2.294 143 HG21 ILE 18 1HG2 ILE 18 -4.641 8.506 -1.326 144 HG22 ILE 18 2HG2 ILE 18 -6.294 8.455 -1.935 145 HG23 ILE 18 3HG2 ILE 18 -5.129 7.234 -2.445 146 HD11 ILE 18 1HD1 ILE 18 -2.942 7.527 -3.040 147 HD12 ILE 18 2HD1 ILE 18 -1.858 8.428 -4.100 148 HD13 ILE 18 3HD1 ILE 18 -1.725 8.602 -2.350 149 H ASP 19 H ASP 19 -6.231 6.308 -3.872 150 HA ASP 19 HA ASP 19 -8.498 6.181 -5.425 151 HB2 ASP 19 2HB ASP 19 -7.786 5.173 -2.715 152 HB3 ASP 19 3HB ASP 19 -9.481 5.107 -3.189 153 H GLY 20 H GLY 20 -10.113 7.557 -5.719 154 HA2 GLY 20 2HA GLY 20 -12.060 8.653 -4.792 155 HA3 GLY 20 3HA GLY 20 -11.086 9.090 -3.396 156 H LYS 21 H LYS 21 -9.259 10.599 -3.817 157 HA LYS 21 HA LYS 21 -9.885 12.456 -6.017 158 HB2 LYS 21 2HB LYS 21 -9.378 13.043 -3.113 159 HB3 LYS 21 3HB LYS 21 -9.060 14.256 -4.346 160 HG2 LYS 21 2HG LYS 21 -11.715 12.910 -3.893 161 HG3 LYS 21 3HG LYS 21 -11.268 14.510 -3.296 162 HD2 LYS 21 2HD LYS 21 -11.406 13.667 -6.191 163 HD3 LYS 21 3HD LYS 21 -12.582 14.676 -5.346 164 HE2 LYS 21 2HE LYS 21 -9.697 15.330 -5.926 165 HE3 LYS 21 3HE LYS 21 -11.123 16.089 -6.632 166 HZ1 LYS 21 1HZ LYS 21 -11.716 16.836 -4.358 167 HZ2 LYS 21 2HZ LYS 21 -10.278 17.510 -4.940 168 HZ3 LYS 21 3HZ LYS 21 -10.225 16.254 -3.809 169 H THR 22 H THR 22 -8.133 13.614 -6.894 170 HA THR 22 HA THR 22 -5.538 12.320 -6.439 171 HB THR 22 HB THR 22 -6.491 13.993 -8.772 172 HG1 THR 22 HG1 THR 22 -7.367 11.851 -8.649 173 HG21 THR 22 1HG2 THR 22 -4.089 14.266 -8.407 174 HG22 THR 22 2HG2 THR 22 -4.397 13.312 -9.859 175 HG23 THR 22 3HG2 THR 22 -3.887 12.515 -8.371 176 H TYR 23 H TYR 23 -3.715 13.462 -5.926 177 HA TYR 23 HA TYR 23 -3.985 16.367 -5.564 178 HB2 TYR 23 2HB TYR 23 -2.472 14.736 -3.555 179 HB3 TYR 23 3HB TYR 23 -3.186 16.336 -3.378 180 HD1 TYR 23 HD1 TYR 23 -5.387 16.602 -2.558 181 HD2 TYR 23 HD2 TYR 23 -3.979 12.725 -3.599 182 HE1 TYR 23 HE1 TYR 23 -7.372 15.605 -1.503 183 HE2 TYR 23 HE2 TYR 23 -5.961 11.717 -2.548 184 HH TYR 23 HH TYR 23 -7.672 12.745 -0.486 185 H LEU 24 H LEU 24 -1.788 17.387 -5.140 186 HA LEU 24 HA LEU 24 0.166 16.153 -6.958 187 HB2 LEU 24 2HB LEU 24 -0.791 18.396 -7.534 188 HB3 LEU 24 3HB LEU 24 0.007 19.035 -6.098 189 HG LEU 24 HG LEU 24 2.165 18.088 -7.218 190 HD11 LEU 24 1HD1 LEU 24 0.927 16.921 -9.017 191 HD12 LEU 24 2HD1 LEU 24 2.124 18.067 -9.621 192 HD13 LEU 24 3HD1 LEU 24 0.412 18.490 -9.635 193 HD21 LEU 24 1HD2 LEU 24 2.541 20.220 -8.275 194 HD22 LEU 24 2HD2 LEU 24 1.636 20.466 -6.781 195 HD23 LEU 24 3HD2 LEU 24 0.807 20.536 -8.338 196 H ALA 25 H ALA 25 2.380 16.158 -6.425 197 HA ALA 25 HA ALA 25 2.996 16.681 -3.594 198 HB1 ALA 25 1HB ALA 25 2.909 14.392 -3.502 199 HB2 ALA 25 2HB ALA 25 3.437 14.194 -5.174 200 HB3 ALA 25 3HB ALA 25 4.604 14.635 -3.927 201 H LYS 26 H LYS 26 5.165 17.241 -3.132 202 HA LYS 26 HA LYS 26 6.621 18.281 -5.468 203 HB2 LYS 26 2HB LYS 26 6.036 20.079 -4.036 204 HB3 LYS 26 3HB LYS 26 6.505 19.185 -2.596 205 HG2 LYS 26 2HG LYS 26 8.113 20.936 -3.146 206 HG3 LYS 26 3HG LYS 26 8.840 19.330 -3.233 207 HD2 LYS 26 2HD LYS 26 9.396 19.641 -5.365 208 HD3 LYS 26 3HD LYS 26 7.732 20.055 -5.784 209 HE2 LYS 26 2HE LYS 26 9.414 22.086 -4.398 210 HE3 LYS 26 3HE LYS 26 9.695 21.780 -6.111 211 HZ1 LYS 26 1HZ LYS 26 7.523 22.434 -6.646 212 HZ2 LYS 26 2HZ LYS 26 8.059 23.595 -5.540 213 HZ3 LYS 26 3HZ LYS 26 7.001 22.374 -5.038 214 H CYS 27 H CYS 27 8.780 17.850 -5.747 215 HA CYS 27 HA CYS 27 9.910 15.790 -3.970 216 HB2 CYS 27 2HB CYS 27 10.170 16.246 -6.931 217 HB3 CYS 27 3HB CYS 27 11.373 15.309 -6.051 218 HA PRO 28 HA PRO 28 13.295 18.383 -2.937 219 HB2 PRO 28 2HB PRO 28 15.343 16.605 -2.813 220 HB3 PRO 28 3HB PRO 28 14.057 16.676 -1.602 221 HG2 PRO 28 2HG PRO 28 14.366 14.818 -3.929 222 HG3 PRO 28 3HG PRO 28 13.865 14.456 -2.267 223 HD2 PRO 28 2HD PRO 28 12.095 14.709 -4.300 224 HD3 PRO 28 3HD PRO 28 11.703 15.167 -2.630 225 H SER 29 H SER 29 15.296 19.291 -3.685 226 HA SER 29 HA SER 29 15.520 19.216 -6.577 227 HB2 SER 29 2HB SER 29 17.470 20.895 -5.218 228 HB3 SER 29 3HB SER 29 16.221 21.343 -6.378 229 HG SER 29 HG SER 29 16.068 22.201 -4.135 230 H ALA 30 H ALA 30 16.647 17.229 -4.363 231 HA ALA 30 HA ALA 30 19.384 17.084 -4.468 232 HB1 ALA 30 1HB ALA 30 17.213 15.135 -4.080 233 HB2 ALA 30 2HB ALA 30 18.770 14.456 -4.557 234 HB3 ALA 30 3HB ALA 30 18.649 15.450 -3.105 235 H ALA 31 H ALA 31 20.898 16.057 -5.799 236 HA ALA 31 HA ALA 31 20.439 16.297 -8.581 237 HB1 ALA 31 1HB ALA 31 22.651 16.445 -8.489 238 HB2 ALA 31 2HB ALA 31 22.672 15.799 -6.848 239 HB3 ALA 31 3HB ALA 31 22.715 14.702 -8.228 240 H ASN 32 H ASN 32 20.689 13.495 -6.422 241 HA ASN 32 HA ASN 32 20.195 11.643 -8.591 242 HB2 ASN 32 2HB ASN 32 21.659 11.269 -6.464 243 HB3 ASN 32 3HB ASN 32 20.125 10.890 -5.685 244 HD21 ASN 32 1HD2 ASN 32 22.643 9.747 -7.620 245 HD22 ASN 32 2HD2 ASN 32 21.966 8.210 -8.024 246 H THR 33 H THR 33 18.292 13.638 -6.765 247 HA THR 33 HA THR 33 15.967 11.840 -6.999 248 HB THR 33 HB THR 33 15.836 14.205 -5.194 249 HG1 THR 33 HG1 THR 33 17.863 12.710 -4.918 250 HG21 THR 33 1HG2 THR 33 14.490 12.612 -3.849 251 HG22 THR 33 2HG2 THR 33 14.780 11.378 -5.075 252 HG23 THR 33 3HG2 THR 33 13.868 12.831 -5.484 253 H LYS 34 H LYS 34 17.391 14.240 -8.578 254 HA LYS 34 HA LYS 34 15.090 15.961 -8.988 255 HB2 LYS 34 2HB LYS 34 17.955 16.060 -9.586 256 HB3 LYS 34 3HB LYS 34 16.949 16.672 -10.892 257 HG2 LYS 34 2HG LYS 34 16.062 17.702 -8.354 258 HG3 LYS 34 3HG LYS 34 17.775 18.038 -8.612 259 HD2 LYS 34 2HD LYS 34 16.028 18.505 -10.937 260 HD3 LYS 34 3HD LYS 34 15.764 19.579 -9.561 261 HE2 LYS 34 2HE LYS 34 18.418 19.073 -10.904 262 HE3 LYS 34 3HE LYS 34 17.397 20.487 -11.164 263 HZ1 LYS 34 1HZ LYS 34 17.691 20.361 -8.456 264 HZ2 LYS 34 2HZ LYS 34 18.521 21.403 -9.498 265 HZ3 LYS 34 3HZ LYS 34 19.222 19.935 -9.035 266 H CYS 35 H CYS 35 14.750 16.552 -11.444 267 HA CYS 35 HA CYS 35 14.550 14.043 -12.973 268 HB2 CYS 35 2HB CYS 35 12.471 16.224 -12.713 269 HB3 CYS 35 3HB CYS 35 12.379 14.901 -13.871 270 H GLU 36 H GLU 36 15.527 14.133 -14.879 271 HA GLU 36 HA GLU 36 16.392 16.705 -15.924 272 HB2 GLU 36 2HB GLU 36 17.674 15.319 -17.551 273 HB3 GLU 36 3HB GLU 36 18.061 14.977 -15.871 274 HG2 GLU 36 2HG GLU 36 17.441 12.854 -16.058 275 HG3 GLU 36 3HG GLU 36 15.932 13.283 -16.861 276 H LYS 37 H LYS 37 13.908 14.425 -16.437 277 HA LYS 37 HA LYS 37 12.975 15.946 -18.747 278 HB2 LYS 37 2HB LYS 37 14.290 13.803 -19.413 279 HB3 LYS 37 3HB LYS 37 12.858 12.948 -18.856 280 HG2 LYS 37 2HG LYS 37 11.698 14.751 -20.464 281 HG3 LYS 37 3HG LYS 37 13.266 14.603 -21.262 282 HD2 LYS 37 2HD LYS 37 12.627 11.991 -20.759 283 HD3 LYS 37 3HD LYS 37 11.046 12.700 -21.098 284 HE2 LYS 37 2HE LYS 37 11.695 12.150 -23.219 285 HE3 LYS 37 3HE LYS 37 12.347 13.785 -23.117 286 HZ1 LYS 37 1HZ LYS 37 14.355 12.972 -23.490 287 HZ2 LYS 37 2HZ LYS 37 13.728 11.405 -23.600 288 HZ3 LYS 37 3HZ LYS 37 14.257 12.001 -22.108 289 H ASP 38 H ASP 38 10.860 16.362 -18.627 290 HA ASP 38 HA ASP 38 9.329 15.734 -16.388 291 HB2 ASP 38 2HB ASP 38 7.422 16.631 -17.629 292 HB3 ASP 38 3HB ASP 38 8.849 17.633 -17.879 293 H GLY 39 H GLY 39 7.789 14.208 -15.928 294 HA2 GLY 39 2HA GLY 39 6.314 12.425 -16.453 295 HA3 GLY 39 3HA GLY 39 7.187 12.181 -17.958 296 H ASN 40 H ASN 40 9.494 12.592 -15.670 297 HA ASN 40 HA ASN 40 10.419 9.962 -15.756 298 HB2 ASN 40 2HB ASN 40 11.309 12.412 -14.695 299 HB3 ASN 40 3HB ASN 40 11.300 11.280 -13.345 300 HD21 ASN 40 1HD2 ASN 40 13.239 12.546 -15.553 301 HD22 ASN 40 2HD2 ASN 40 14.334 11.237 -15.820 302 H LYS 41 H LYS 41 10.989 8.893 -13.446 303 HA LYS 41 HA LYS 41 8.450 7.970 -12.459 304 HB2 LYS 41 2HB LYS 41 11.141 7.008 -12.516 305 HB3 LYS 41 3HB LYS 41 10.579 6.991 -10.850 306 HG2 LYS 41 2HG LYS 41 9.267 5.652 -13.205 307 HG3 LYS 41 3HG LYS 41 10.131 4.865 -11.882 308 HD2 LYS 41 2HD LYS 41 8.340 6.207 -10.441 309 HD3 LYS 41 3HD LYS 41 7.416 6.068 -11.939 310 HE2 LYS 41 2HE LYS 41 8.568 3.840 -10.270 311 HE3 LYS 41 3HE LYS 41 6.866 4.197 -10.559 312 HZ1 LYS 41 1HZ LYS 41 7.278 2.478 -12.013 313 HZ2 LYS 41 2HZ LYS 41 8.842 3.002 -12.385 314 HZ3 LYS 41 3HZ LYS 41 7.504 3.822 -13.016 315 H CYS 42 H CYS 42 7.704 8.076 -10.315 316 HA CYS 42 HA CYS 42 9.083 9.778 -8.416 317 HB2 CYS 42 2HB CYS 42 7.683 11.274 -9.942 318 HB3 CYS 42 3HB CYS 42 6.270 10.515 -9.215 319 H THR 43 H THR 43 8.106 9.735 -6.289 320 HA THR 43 HA THR 43 6.044 7.715 -5.851 321 HB THR 43 HB THR 43 7.878 7.167 -3.823 322 HG1 THR 43 HG1 THR 43 9.163 7.416 -6.353 323 HG21 THR 43 1HG2 THR 43 6.356 5.590 -4.977 324 HG22 THR 43 2HG2 THR 43 8.001 4.971 -4.839 325 HG23 THR 43 3HG2 THR 43 7.428 5.619 -6.376 326 H TYR 44 H TYR 44 4.983 7.887 -3.846 327 HA TYR 44 HA TYR 44 5.720 10.171 -2.160 328 HB2 TYR 44 2HB TYR 44 4.064 11.254 -3.346 329 HB3 TYR 44 3HB TYR 44 3.162 9.773 -3.648 330 HD1 TYR 44 HD1 TYR 44 1.093 9.706 -2.650 331 HD2 TYR 44 HD2 TYR 44 4.261 11.710 -0.637 332 HE1 TYR 44 HE1 TYR 44 -0.437 10.258 -0.805 333 HE2 TYR 44 HE2 TYR 44 2.740 12.266 1.214 334 HH TYR 44 HH TYR 44 0.660 12.171 1.980 335 H ASP 45 H ASP 45 5.926 9.476 -0.149 336 HA ASP 45 HA ASP 45 4.498 7.067 0.697 337 HB2 ASP 45 2HB ASP 45 7.020 7.375 1.002 338 HB3 ASP 45 3HB ASP 45 6.614 8.534 2.266 339 H SER 46 H SER 46 2.668 7.260 1.786 340 HA SER 46 HA SER 46 1.875 9.790 2.922 341 HB2 SER 46 2HB SER 46 -0.240 8.988 2.790 342 HB3 SER 46 3HB SER 46 0.483 7.733 1.784 343 HG SER 46 HG SER 46 -0.688 6.725 3.380 344 H TYR 47 H TYR 47 3.327 6.882 4.032 345 HA TYR 47 HA TYR 47 2.503 6.949 6.734 346 HB2 TYR 47 2HB TYR 47 3.564 4.992 5.562 347 HB3 TYR 47 3HB TYR 47 5.103 5.840 5.665 348 HD1 TYR 47 HD1 TYR 47 6.121 6.278 7.894 349 HD2 TYR 47 HD2 TYR 47 2.657 3.849 7.443 350 HE1 TYR 47 HE1 TYR 47 6.492 5.342 10.139 351 HE2 TYR 47 HE2 TYR 47 3.017 2.908 9.686 352 HH TYR 47 HH TYR 47 5.693 2.900 11.268 353 H ASN 48 H ASN 48 5.312 8.300 5.053 354 HA ASN 48 HA ASN 48 6.009 9.766 7.508 355 HB2 ASN 48 2HB ASN 48 8.069 10.057 5.592 356 HB3 ASN 48 3HB ASN 48 8.111 9.128 7.088 357 HD21 ASN 48 1HD2 ASN 48 8.459 8.975 3.811 358 HD22 ASN 48 2HD2 ASN 48 8.260 7.274 3.586 359 H ARG 49 H ARG 49 4.326 10.183 4.751 360 HA ARG 49 HA ARG 49 3.613 11.976 3.546 361 HB2 ARG 49 2HB ARG 49 4.771 13.734 5.699 362 HB3 ARG 49 3HB ARG 49 3.369 14.035 4.680 363 HG2 ARG 49 2HG ARG 49 2.409 11.920 5.870 364 HG3 ARG 49 3HG ARG 49 3.624 12.304 7.091 365 HD2 ARG 49 2HD ARG 49 2.659 14.682 7.011 366 HD3 ARG 49 3HD ARG 49 1.290 13.952 6.173 367 HE ARG 49 HE ARG 49 0.580 13.110 8.172 368 HH11 ARG 49 1HH1 ARG 49 3.941 13.971 8.450 369 HH12 ARG 49 2HH1 ARG 49 4.014 13.661 10.153 370 HH21 ARG 49 1HH2 ARG 49 0.663 12.699 10.414 371 HH22 ARG 49 2HH2 ARG 49 2.149 12.937 11.269 372 H LYS 50 H LYS 50 6.399 10.980 3.260 373 HA LYS 50 HA LYS 50 7.706 13.415 2.251 374 HB2 LYS 50 2HB LYS 50 9.229 12.403 3.692 375 HB3 LYS 50 3HB LYS 50 8.750 10.778 3.218 376 HG2 LYS 50 2HG LYS 50 10.168 10.723 1.468 377 HG3 LYS 50 3HG LYS 50 9.951 12.436 1.099 378 HD2 LYS 50 2HD LYS 50 12.034 12.638 1.925 379 HD3 LYS 50 3HD LYS 50 11.225 12.574 3.493 380 HE2 LYS 50 2HE LYS 50 11.807 9.950 2.326 381 HE3 LYS 50 3HE LYS 50 13.239 10.913 2.687 382 HZ1 LYS 50 1HZ LYS 50 12.711 10.997 4.932 383 HZ2 LYS 50 2HZ LYS 50 12.315 9.408 4.508 384 HZ3 LYS 50 3HZ LYS 50 11.094 10.566 4.686 385 H VAL 51 H VAL 51 8.179 13.642 0.129 386 HA VAL 51 HA VAL 51 7.299 11.477 -1.664 387 HB VAL 51 HB VAL 51 7.524 14.429 -2.270 388 HG11 VAL 51 1HG1 VAL 51 6.250 12.254 -3.920 389 HG12 VAL 51 2HG1 VAL 51 6.506 13.941 -4.372 390 HG13 VAL 51 3HG1 VAL 51 7.886 12.858 -4.185 391 HG21 VAL 51 1HG2 VAL 51 4.969 12.871 -2.087 392 HG22 VAL 51 2HG2 VAL 51 5.689 13.609 -0.656 393 HG23 VAL 51 3HG2 VAL 51 5.214 14.617 -2.024 394 H LYS 52 H LYS 52 8.849 10.413 -2.686 395 HA LYS 52 HA LYS 52 11.413 11.780 -3.178 396 HB2 LYS 52 2HB LYS 52 11.631 9.925 -1.601 397 HB3 LYS 52 3HB LYS 52 10.871 8.835 -2.753 398 HG2 LYS 52 2HG LYS 52 12.732 9.046 -4.260 399 HG3 LYS 52 3HG LYS 52 13.471 10.276 -3.233 400 HD2 LYS 52 2HD LYS 52 14.029 8.736 -1.580 401 HD3 LYS 52 3HD LYS 52 12.843 7.556 -2.144 402 HE2 LYS 52 2HE LYS 52 14.198 6.800 -3.832 403 HE3 LYS 52 3HE LYS 52 15.057 8.332 -3.976 404 HZ1 LYS 52 1HZ LYS 52 16.130 6.207 -2.854 405 HZ2 LYS 52 2HZ LYS 52 15.387 6.858 -1.481 406 HZ3 LYS 52 3HZ LYS 52 16.509 7.778 -2.351 407 H CYS 53 H CYS 53 12.253 11.787 -5.202 408 HA CYS 53 HA CYS 53 10.669 10.454 -7.300 409 HB2 CYS 53 2HB CYS 53 12.003 13.139 -7.213 410 HB3 CYS 53 3HB CYS 53 11.754 12.332 -8.758 411 H ASP 54 H ASP 54 11.722 9.341 -8.904 412 HA ASP 54 HA ASP 54 14.650 9.254 -8.832 413 HB2 ASP 54 2HB ASP 54 14.256 7.358 -7.539 414 HB3 ASP 54 3HB ASP 54 12.778 6.951 -8.407 415 H PHE 55 H PHE 55 15.635 8.663 -10.778 416 HA PHE 55 HA PHE 55 13.836 8.377 -13.089 417 HB2 PHE 55 2HB PHE 55 15.492 9.793 -14.372 418 HB3 PHE 55 3HB PHE 55 14.545 10.653 -13.162 419 HD1 PHE 55 HD1 PHE 55 17.803 9.935 -14.366 420 HD2 PHE 55 HD2 PHE 55 15.635 11.008 -10.864 421 HE1 PHE 55 HE1 PHE 55 19.879 10.764 -13.339 422 HE2 PHE 55 HE2 PHE 55 17.708 11.840 -9.832 423 HZ PHE 55 HZ PHE 55 19.834 11.719 -11.070 424 H ARG 56 H ARG 56 15.187 7.736 -15.101 425 HA ARG 56 HA ARG 56 17.424 5.987 -14.423 426 HB2 ARG 56 2HB ARG 56 16.328 4.172 -15.858 427 HB3 ARG 56 3HB ARG 56 15.699 4.404 -14.232 428 HG2 ARG 56 2HG ARG 56 13.818 5.647 -15.094 429 HG3 ARG 56 3HG ARG 56 14.471 5.549 -16.731 430 HD2 ARG 56 2HD ARG 56 13.593 3.527 -17.040 431 HD3 ARG 56 3HD ARG 56 14.279 2.933 -15.528 432 HE ARG 56 HE ARG 56 12.237 3.213 -14.542 433 HH11 ARG 56 1HH1 ARG 56 12.323 5.050 -17.498 434 HH12 ARG 56 2HH1 ARG 56 10.646 5.478 -17.433 435 HH21 ARG 56 1HH2 ARG 56 10.027 3.770 -14.446 436 HH22 ARG 56 2HH2 ARG 56 9.341 4.750 -15.697 437 H HIS 57 H HIS 57 18.781 5.491 -16.170 438 HA HIS 57 HA HIS 57 19.860 5.858 -18.139 439 HB2 HIS 57 2HB HIS 57 17.334 5.216 -18.873 440 HB3 HIS 57 3HB HIS 57 17.461 6.825 -19.576 441 HD1 HIS 57 HD1 HIS 57 18.022 6.593 -21.964 442 HD2 HIS 57 HD2 HIS 57 20.034 3.801 -19.636 443 HE1 HIS 57 HE1 HIS 57 19.485 5.315 -23.561 Start of MODEL 11 1 H1 LEU 1 H LEU 1 2.660 -2.037 -0.907 2 HA LEU 1 HA LEU 1 2.817 -1.589 -3.156 3 HB2 LEU 1 2HB LEU 1 -0.192 -1.421 -3.138 4 HB3 LEU 1 3HB LEU 1 0.847 -1.473 -4.560 5 HG LEU 1 HG LEU 1 1.022 -3.756 -2.676 6 HD11 LEU 1 1HD1 LEU 1 -0.942 -4.830 -3.583 7 HD12 LEU 1 2HD1 LEU 1 -1.302 -3.410 -4.565 8 HD13 LEU 1 3HD1 LEU 1 -1.398 -3.313 -2.807 9 HD21 LEU 1 1HD2 LEU 1 1.401 -4.991 -4.681 10 HD22 LEU 1 2HD2 LEU 1 2.363 -3.516 -4.773 11 HD23 LEU 1 3HD2 LEU 1 0.856 -3.645 -5.682 12 H GLU 2 H GLU 2 3.814 0.342 -3.064 13 HA GLU 2 HA GLU 2 2.866 2.702 -1.976 14 HB2 GLU 2 2HB GLU 2 4.988 1.975 -3.899 15 HB3 GLU 2 3HB GLU 2 4.466 3.653 -3.943 16 HG2 GLU 2 2HG GLU 2 6.171 3.758 -2.426 17 HG3 GLU 2 3HG GLU 2 4.785 3.527 -1.361 18 H TYR 3 H TYR 3 2.421 4.757 -3.232 19 HA TYR 3 HA TYR 3 0.148 4.272 -4.951 20 HB2 TYR 3 2HB TYR 3 1.336 6.713 -3.663 21 HB3 TYR 3 3HB TYR 3 0.108 6.868 -4.915 22 HD1 TYR 3 HD1 TYR 3 0.688 6.462 -1.448 23 HD2 TYR 3 HD2 TYR 3 -2.088 5.519 -4.531 24 HE1 TYR 3 HE1 TYR 3 -1.067 6.127 0.243 25 HE2 TYR 3 HE2 TYR 3 -3.851 5.183 -2.849 26 HH TYR 3 HH TYR 3 -3.502 4.548 0.078 27 H LYS 4 H LYS 4 -0.077 4.903 -7.079 28 HA LYS 4 HA LYS 4 2.374 5.020 -8.601 29 HB2 LYS 4 2HB LYS 4 0.758 3.651 -9.597 30 HB3 LYS 4 3HB LYS 4 -0.538 4.800 -9.295 31 HG2 LYS 4 2HG LYS 4 -0.166 5.912 -11.202 32 HG3 LYS 4 3HG LYS 4 1.588 5.803 -11.043 33 HD2 LYS 4 2HD LYS 4 1.708 3.856 -12.211 34 HD3 LYS 4 3HD LYS 4 0.137 3.291 -11.640 35 HE2 LYS 4 2HE LYS 4 -0.860 4.027 -13.486 36 HE3 LYS 4 3HE LYS 4 -0.182 5.639 -13.265 37 HZ1 LYS 4 1HZ LYS 4 1.601 5.173 -14.602 38 HZ2 LYS 4 2HZ LYS 4 0.402 4.255 -15.365 39 HZ3 LYS 4 3HZ LYS 4 1.522 3.502 -14.344 40 H GLY 5 H GLY 5 3.403 6.894 -8.844 41 HA2 GLY 5 2HA GLY 5 1.797 9.267 -9.535 42 HA3 GLY 5 3HA GLY 5 3.047 9.375 -8.304 43 H GLU 6 H GLU 6 2.921 10.910 -10.708 44 HA GLU 6 HA GLU 6 5.248 9.857 -12.176 45 HB2 GLU 6 2HB GLU 6 3.444 12.020 -13.220 46 HB3 GLU 6 3HB GLU 6 4.513 10.950 -14.116 47 HG2 GLU 6 2HG GLU 6 1.976 10.125 -12.723 48 HG3 GLU 6 3HG GLU 6 2.162 10.393 -14.455 49 H CYS 7 H CYS 7 6.680 11.597 -13.098 50 HA CYS 7 HA CYS 7 6.950 13.826 -11.189 51 HB2 CYS 7 2HB CYS 7 8.993 13.105 -10.645 52 HB3 CYS 7 3HB CYS 7 8.766 11.704 -11.687 53 H PHE 8 H PHE 8 7.876 15.770 -12.006 54 HA PHE 8 HA PHE 8 7.339 16.144 -14.859 55 HB2 PHE 8 2HB PHE 8 7.522 18.032 -12.523 56 HB3 PHE 8 3HB PHE 8 7.569 18.622 -14.180 57 HD1 PHE 8 HD1 PHE 8 5.585 19.403 -14.999 58 HD2 PHE 8 HD2 PHE 8 5.530 16.213 -12.182 59 HE1 PHE 8 HE1 PHE 8 3.126 19.381 -15.077 60 HE2 PHE 8 HE2 PHE 8 3.071 16.185 -12.257 61 HZ PHE 8 HZ PHE 8 1.866 17.769 -13.706 62 H THR 9 H THR 9 8.784 17.892 -15.900 63 HA THR 9 HA THR 9 11.316 16.909 -16.295 64 HB THR 9 HB THR 9 11.524 19.715 -16.647 65 HG1 THR 9 HG1 THR 9 9.492 20.276 -16.817 66 HG21 THR 9 1HG2 THR 9 12.029 17.465 -18.080 67 HG22 THR 9 2HG2 THR 9 12.061 19.095 -18.750 68 HG23 THR 9 3HG2 THR 9 10.620 18.095 -18.932 69 H LYS 10 H LYS 10 13.301 18.608 -15.977 70 HA LYS 10 HA LYS 10 14.148 18.293 -13.350 71 HB2 LYS 10 2HB LYS 10 15.317 19.110 -15.684 72 HB3 LYS 10 3HB LYS 10 15.313 20.602 -14.752 73 HG2 LYS 10 2HG LYS 10 17.138 19.907 -13.718 74 HG3 LYS 10 3HG LYS 10 16.197 18.597 -13.002 75 HD2 LYS 10 2HD LYS 10 17.608 17.234 -14.085 76 HD3 LYS 10 3HD LYS 10 16.685 17.656 -15.529 77 HE2 LYS 10 2HE LYS 10 18.250 19.468 -16.005 78 HE3 LYS 10 3HE LYS 10 19.160 19.076 -14.548 79 HZ1 LYS 10 1HZ LYS 10 19.831 17.025 -15.459 80 HZ2 LYS 10 2HZ LYS 10 20.075 18.169 -16.681 81 HZ3 LYS 10 3HZ LYS 10 18.738 17.135 -16.746 82 H ASP 11 H ASP 11 11.709 20.229 -14.333 83 HA ASP 11 HA ASP 11 12.183 22.636 -12.918 84 HB2 ASP 11 2HB ASP 11 10.210 21.675 -14.627 85 HB3 ASP 11 3HB ASP 11 9.371 21.900 -13.094 86 H ASN 12 H ASN 12 11.844 19.570 -11.763 87 HA ASN 12 HA ASN 12 11.526 18.693 -9.689 88 HB2 ASN 12 2HB ASN 12 12.581 21.228 -9.247 89 HB3 ASN 12 3HB ASN 12 11.168 21.169 -8.197 90 HD21 ASN 12 1HD2 ASN 12 13.320 18.553 -9.184 91 HD22 ASN 12 2HD2 ASN 12 13.871 18.166 -7.592 92 H THR 13 H THR 13 9.503 17.831 -10.131 93 HA THR 13 HA THR 13 7.354 18.847 -8.554 94 HB THR 13 HB THR 13 6.195 18.628 -11.180 95 HG1 THR 13 HG1 THR 13 8.435 19.504 -11.607 96 HG21 THR 13 1HG2 THR 13 5.568 19.858 -8.887 97 HG22 THR 13 2HG2 THR 13 4.923 20.367 -10.448 98 HG23 THR 13 3HG2 THR 13 6.297 21.217 -9.742 99 H CYS 14 H CYS 14 5.612 17.376 -8.372 100 HA CYS 14 HA CYS 14 5.783 14.868 -9.846 101 HB2 CYS 14 2HB CYS 14 6.387 15.185 -6.949 102 HB3 CYS 14 3HB CYS 14 5.444 13.779 -7.430 103 H LYS 15 H LYS 15 3.857 13.731 -9.940 104 HA LYS 15 HA LYS 15 1.546 14.954 -8.589 105 HB2 LYS 15 2HB LYS 15 1.645 15.667 -10.961 106 HB3 LYS 15 3HB LYS 15 1.603 13.979 -11.451 107 HG2 LYS 15 2HG LYS 15 -0.583 15.090 -11.638 108 HG3 LYS 15 3HG LYS 15 -0.606 13.716 -10.530 109 HD2 LYS 15 2HD LYS 15 -1.289 15.015 -8.858 110 HD3 LYS 15 3HD LYS 15 0.069 16.115 -9.105 111 HE2 LYS 15 2HE LYS 15 -2.585 16.172 -10.536 112 HE3 LYS 15 3HE LYS 15 -2.020 17.318 -9.322 113 HZ1 LYS 15 1HZ LYS 15 -1.390 18.480 -11.118 114 HZ2 LYS 15 2HZ LYS 15 -1.360 17.130 -12.136 115 HZ3 LYS 15 3HZ LYS 15 -0.049 17.449 -11.116 116 H TYR 16 H TYR 16 0.720 13.495 -7.253 117 HA TYR 16 HA TYR 16 0.650 10.679 -8.120 118 HB2 TYR 16 2HB TYR 16 0.930 9.980 -5.853 119 HB3 TYR 16 3HB TYR 16 2.172 11.185 -6.175 120 HD1 TYR 16 HD1 TYR 16 1.524 13.651 -5.519 121 HD2 TYR 16 HD2 TYR 16 -0.338 10.173 -3.927 122 HE1 TYR 16 HE1 TYR 16 0.772 14.952 -3.573 123 HE2 TYR 16 HE2 TYR 16 -1.097 11.465 -1.977 124 HH TYR 16 HH TYR 16 -1.447 13.636 -1.229 125 H LYS 17 H LYS 17 -1.183 9.438 -7.513 126 HA LYS 17 HA LYS 17 -3.567 11.069 -6.931 127 HB2 LYS 17 2HB LYS 17 -3.670 10.218 -9.185 128 HB3 LYS 17 3HB LYS 17 -3.281 8.593 -8.637 129 HG2 LYS 17 2HG LYS 17 -5.415 8.555 -7.382 130 HG3 LYS 17 3HG LYS 17 -5.808 10.130 -8.075 131 HD2 LYS 17 2HD LYS 17 -5.217 7.657 -9.698 132 HD3 LYS 17 3HD LYS 17 -6.841 8.204 -9.274 133 HE2 LYS 17 2HE LYS 17 -5.673 10.463 -10.327 134 HE3 LYS 17 3HE LYS 17 -5.011 9.172 -11.327 135 HZ1 LYS 17 1HZ LYS 17 -7.632 10.272 -11.318 136 HZ2 LYS 17 2HZ LYS 17 -7.685 8.599 -11.079 137 HZ3 LYS 17 3HZ LYS 17 -6.911 9.234 -12.443 138 H ILE 18 H ILE 18 -4.933 10.431 -5.338 139 HA ILE 18 HA ILE 18 -4.315 7.900 -3.961 140 HB ILE 18 HB ILE 18 -5.137 10.475 -2.615 141 HG12 ILE 18 2HG1 ILE 18 -2.821 10.534 -3.513 142 HG13 ILE 18 3HG1 ILE 18 -2.871 10.588 -1.755 143 HG21 ILE 18 1HG2 ILE 18 -4.431 7.749 -1.552 144 HG22 ILE 18 2HG2 ILE 18 -4.512 9.195 -0.548 145 HG23 ILE 18 3HG2 ILE 18 -5.956 8.616 -1.377 146 HD11 ILE 18 1HD1 ILE 18 -2.186 8.225 -3.482 147 HD12 ILE 18 2HD1 ILE 18 -1.105 9.135 -2.426 148 HD13 ILE 18 3HD1 ILE 18 -2.395 8.151 -1.733 149 H ASP 19 H ASP 19 -6.048 6.792 -3.033 150 HA ASP 19 HA ASP 19 -8.434 6.729 -4.399 151 HB2 ASP 19 2HB ASP 19 -8.021 5.953 -1.503 152 HB3 ASP 19 3HB ASP 19 -9.321 5.393 -2.551 153 H GLY 20 H GLY 20 -10.008 8.171 -4.591 154 HA2 GLY 20 2HA GLY 20 -11.840 9.344 -3.530 155 HA3 GLY 20 3HA GLY 20 -10.747 9.758 -2.217 156 H LYS 21 H LYS 21 -8.901 11.192 -2.799 157 HA LYS 21 HA LYS 21 -9.628 13.050 -4.965 158 HB2 LYS 21 2HB LYS 21 -8.877 13.645 -2.116 159 HB3 LYS 21 3HB LYS 21 -8.609 14.833 -3.385 160 HG2 LYS 21 2HG LYS 21 -11.271 13.595 -2.712 161 HG3 LYS 21 3HG LYS 21 -10.719 15.183 -2.174 162 HD2 LYS 21 2HD LYS 21 -11.112 14.314 -5.038 163 HD3 LYS 21 3HD LYS 21 -12.180 15.377 -4.119 164 HE2 LYS 21 2HE LYS 21 -9.804 16.637 -3.801 165 HE3 LYS 21 3HE LYS 21 -9.591 15.934 -5.404 166 HZ1 LYS 21 1HZ LYS 21 -11.693 16.977 -6.066 167 HZ2 LYS 21 2HZ LYS 21 -10.543 18.120 -5.585 168 HZ3 LYS 21 3HZ LYS 21 -11.812 17.709 -4.545 169 H THR 22 H THR 22 -7.911 14.126 -5.997 170 HA THR 22 HA THR 22 -5.334 12.747 -5.718 171 HB THR 22 HB THR 22 -6.413 14.405 -8.005 172 HG1 THR 22 HG1 THR 22 -6.185 12.201 -9.005 173 HG21 THR 22 1HG2 THR 22 -4.428 13.623 -9.234 174 HG22 THR 22 2HG2 THR 22 -3.823 12.871 -7.759 175 HG23 THR 22 3HG2 THR 22 -3.992 14.623 -7.850 176 H TYR 23 H TYR 23 -3.438 13.835 -5.378 177 HA TYR 23 HA TYR 23 -3.581 16.753 -5.056 178 HB2 TYR 23 2HB TYR 23 -1.970 15.112 -3.134 179 HB3 TYR 23 3HB TYR 23 -2.621 16.736 -2.937 180 HD1 TYR 23 HD1 TYR 23 -4.753 17.086 -1.969 181 HD2 TYR 23 HD2 TYR 23 -3.525 13.147 -3.007 182 HE1 TYR 23 HE1 TYR 23 -6.679 16.169 -0.745 183 HE2 TYR 23 HE2 TYR 23 -5.448 12.219 -1.787 184 HH TYR 23 HH TYR 23 -7.238 13.935 0.400 185 H LEU 24 H LEU 24 -1.326 17.704 -4.828 186 HA LEU 24 HA LEU 24 0.388 16.447 -6.845 187 HB2 LEU 24 2HB LEU 24 -0.287 19.180 -6.114 188 HB3 LEU 24 3HB LEU 24 1.450 18.935 -6.280 189 HG LEU 24 HG LEU 24 -0.415 18.049 -8.449 190 HD11 LEU 24 1HD1 LEU 24 0.471 20.840 -7.825 191 HD12 LEU 24 2HD1 LEU 24 -1.125 20.255 -8.295 192 HD13 LEU 24 3HD1 LEU 24 0.172 20.329 -9.487 193 HD21 LEU 24 1HD2 LEU 24 2.435 18.241 -8.025 194 HD22 LEU 24 2HD2 LEU 24 1.938 19.138 -9.461 195 HD23 LEU 24 3HD2 LEU 24 1.539 17.426 -9.308 196 H ALA 25 H ALA 25 2.590 16.118 -6.513 197 HA ALA 25 HA ALA 25 3.467 16.256 -3.701 198 HB1 ALA 25 1HB ALA 25 5.023 14.295 -4.805 199 HB2 ALA 25 2HB ALA 25 3.569 14.026 -3.843 200 HB3 ALA 25 3HB ALA 25 3.472 14.040 -5.604 201 H LYS 26 H LYS 26 5.670 16.712 -3.307 202 HA LYS 26 HA LYS 26 7.014 18.070 -5.549 203 HB2 LYS 26 2HB LYS 26 6.475 19.675 -3.877 204 HB3 LYS 26 3HB LYS 26 7.035 18.622 -2.585 205 HG2 LYS 26 2HG LYS 26 8.586 20.465 -3.030 206 HG3 LYS 26 3HG LYS 26 9.325 18.887 -3.311 207 HD2 LYS 26 2HD LYS 26 9.769 19.412 -5.428 208 HD3 LYS 26 3HD LYS 26 8.083 19.848 -5.720 209 HE2 LYS 26 2HE LYS 26 9.039 21.875 -6.105 210 HE3 LYS 26 3HE LYS 26 8.814 22.011 -4.361 211 HZ1 LYS 26 1HZ LYS 26 10.988 22.241 -4.124 212 HZ2 LYS 26 2HZ LYS 26 11.198 22.153 -5.800 213 HZ3 LYS 26 3HZ LYS 26 11.269 20.746 -4.864 214 H CYS 27 H CYS 27 9.155 17.670 -5.967 215 HA CYS 27 HA CYS 27 10.353 15.428 -4.476 216 HB2 CYS 27 2HB CYS 27 10.334 16.136 -7.379 217 HB3 CYS 27 3HB CYS 27 11.734 15.291 -6.726 218 HA PRO 28 HA PRO 28 13.847 17.845 -3.388 219 HB2 PRO 28 2HB PRO 28 15.905 16.107 -3.728 220 HB3 PRO 28 3HB PRO 28 14.734 15.963 -2.412 221 HG2 PRO 28 2HG PRO 28 14.840 14.500 -5.022 222 HG3 PRO 28 3HG PRO 28 14.492 13.872 -3.400 223 HD2 PRO 28 2HD PRO 28 12.545 14.409 -5.203 224 HD3 PRO 28 3HD PRO 28 12.303 14.592 -3.454 225 H SER 29 H SER 29 15.394 19.189 -4.235 226 HA SER 29 HA SER 29 15.549 19.313 -7.118 227 HB2 SER 29 2HB SER 29 16.847 21.411 -6.683 228 HB3 SER 29 3HB SER 29 15.252 21.396 -5.931 229 HG SER 29 HG SER 29 17.671 21.629 -4.775 230 H ALA 30 H ALA 30 17.146 17.525 -4.931 231 HA ALA 30 HA ALA 30 19.849 17.839 -5.287 232 HB1 ALA 30 1HB ALA 30 19.572 15.103 -5.305 233 HB2 ALA 30 2HB ALA 30 19.647 16.127 -3.870 234 HB3 ALA 30 3HB ALA 30 18.083 15.651 -4.533 235 H ALA 31 H ALA 31 21.341 17.342 -6.823 236 HA ALA 31 HA ALA 31 20.586 17.257 -9.514 237 HB1 ALA 31 1HB ALA 31 22.710 17.922 -9.580 238 HB2 ALA 31 2HB ALA 31 23.061 17.207 -8.006 239 HB3 ALA 31 3HB ALA 31 23.150 16.218 -9.463 240 H ASN 32 H ASN 32 21.641 14.662 -7.338 241 HA ASN 32 HA ASN 32 21.326 12.657 -9.400 242 HB2 ASN 32 2HB ASN 32 22.958 12.775 -7.261 243 HB3 ASN 32 3HB ASN 32 21.637 11.842 -6.563 244 HD21 ASN 32 1HD2 ASN 32 23.277 11.948 -9.712 245 HD22 ASN 32 2HD2 ASN 32 23.579 10.249 -9.800 246 H THR 33 H THR 33 19.274 14.265 -7.323 247 HA THR 33 HA THR 33 17.342 12.038 -7.345 248 HB THR 33 HB THR 33 16.944 14.309 -5.465 249 HG1 THR 33 HG1 THR 33 18.725 12.178 -4.846 250 HG21 THR 33 1HG2 THR 33 15.310 12.496 -5.617 251 HG22 THR 33 2HG2 THR 33 16.087 12.509 -4.033 252 HG23 THR 33 3HG2 THR 33 16.569 11.320 -5.242 253 H LYS 34 H LYS 34 17.981 14.360 -9.256 254 HA LYS 34 HA LYS 34 15.402 15.740 -9.254 255 HB2 LYS 34 2HB LYS 34 18.082 16.286 -10.361 256 HB3 LYS 34 3HB LYS 34 16.738 16.760 -11.393 257 HG2 LYS 34 2HG LYS 34 16.199 17.612 -8.726 258 HG3 LYS 34 3HG LYS 34 17.819 18.139 -9.188 259 HD2 LYS 34 2HD LYS 34 16.906 19.150 -11.224 260 HD3 LYS 34 3HD LYS 34 15.287 18.621 -10.760 261 HE2 LYS 34 2HE LYS 34 15.100 20.189 -9.108 262 HE3 LYS 34 3HE LYS 34 16.837 20.239 -8.809 263 HZ1 LYS 34 1HZ LYS 34 15.285 21.604 -10.912 264 HZ2 LYS 34 2HZ LYS 34 16.937 21.313 -11.121 265 HZ3 LYS 34 3HZ LYS 34 16.403 22.257 -9.823 266 H CYS 35 H CYS 35 14.459 16.110 -11.520 267 HA CYS 35 HA CYS 35 14.169 13.484 -12.768 268 HB2 CYS 35 2HB CYS 35 12.542 16.022 -12.912 269 HB3 CYS 35 3HB CYS 35 12.238 14.641 -13.961 270 H GLU 36 H GLU 36 14.580 13.071 -14.906 271 HA GLU 36 HA GLU 36 16.348 14.965 -16.233 272 HB2 GLU 36 2HB GLU 36 16.889 13.135 -17.736 273 HB3 GLU 36 3HB GLU 36 17.009 12.596 -16.067 274 HG2 GLU 36 2HG GLU 36 15.773 10.864 -16.693 275 HG3 GLU 36 3HG GLU 36 14.414 11.986 -16.715 276 H LYS 37 H LYS 37 13.193 13.495 -16.634 277 HA LYS 37 HA LYS 37 12.530 15.489 -18.641 278 HB2 LYS 37 2HB LYS 37 13.428 13.317 -19.745 279 HB3 LYS 37 3HB LYS 37 11.885 12.622 -19.266 280 HG2 LYS 37 2HG LYS 37 11.068 14.906 -20.471 281 HG3 LYS 37 3HG LYS 37 12.519 14.528 -21.402 282 HD2 LYS 37 2HD LYS 37 11.106 12.108 -21.048 283 HD3 LYS 37 3HD LYS 37 9.928 13.327 -21.538 284 HE2 LYS 37 2HE LYS 37 10.810 13.533 -23.604 285 HE3 LYS 37 3HE LYS 37 12.466 13.351 -23.028 286 HZ1 LYS 37 1HZ LYS 37 10.897 10.949 -22.816 287 HZ2 LYS 37 2HZ LYS 37 12.447 11.176 -23.455 288 HZ3 LYS 37 3HZ LYS 37 11.085 11.487 -24.409 289 H ASP 38 H ASP 38 10.283 15.818 -18.896 290 HA ASP 38 HA ASP 38 8.761 15.391 -16.547 291 HB2 ASP 38 2HB ASP 38 8.582 17.269 -18.344 292 HB3 ASP 38 3HB ASP 38 7.516 16.139 -19.174 293 H GLY 39 H GLY 39 6.829 14.184 -16.270 294 HA2 GLY 39 2HA GLY 39 5.289 12.496 -16.760 295 HA3 GLY 39 3HA GLY 39 6.137 12.193 -18.270 296 H ASN 40 H ASN 40 8.527 12.298 -16.086 297 HA ASN 40 HA ASN 40 9.131 9.586 -16.183 298 HB2 ASN 40 2HB ASN 40 10.327 11.905 -15.144 299 HB3 ASN 40 3HB ASN 40 10.208 10.790 -13.786 300 HD21 ASN 40 1HD2 ASN 40 12.326 11.819 -15.866 301 HD22 ASN 40 2HD2 ASN 40 13.219 10.381 -16.209 302 H LYS 41 H LYS 41 9.617 8.417 -13.917 303 HA LYS 41 HA LYS 41 6.980 8.002 -12.749 304 HB2 LYS 41 2HB LYS 41 9.199 6.334 -13.356 305 HB3 LYS 41 3HB LYS 41 8.961 6.281 -11.615 306 HG2 LYS 41 2HG LYS 41 6.572 5.976 -13.345 307 HG3 LYS 41 3HG LYS 41 7.711 4.631 -13.255 308 HD2 LYS 41 2HD LYS 41 6.937 4.044 -11.253 309 HD3 LYS 41 3HD LYS 41 7.201 5.673 -10.626 310 HE2 LYS 41 2HE LYS 41 5.039 6.357 -11.621 311 HE3 LYS 41 3HE LYS 41 4.775 4.688 -12.125 312 HZ1 LYS 41 1HZ LYS 41 3.694 5.400 -9.978 313 HZ2 LYS 41 2HZ LYS 41 5.242 5.428 -9.298 314 HZ3 LYS 41 3HZ LYS 41 4.613 3.981 -9.909 315 H CYS 42 H CYS 42 6.476 8.293 -10.615 316 HA CYS 42 HA CYS 42 8.571 9.323 -8.837 317 HB2 CYS 42 2HB CYS 42 7.166 11.173 -9.924 318 HB3 CYS 42 3HB CYS 42 5.832 10.576 -8.942 319 H THR 43 H THR 43 8.005 9.219 -6.557 320 HA THR 43 HA THR 43 5.871 7.286 -5.952 321 HB THR 43 HB THR 43 8.090 6.981 -4.131 322 HG1 THR 43 HG1 THR 43 8.615 6.510 -6.895 323 HG21 THR 43 1HG2 THR 43 7.835 4.600 -5.379 324 HG22 THR 43 2HG2 THR 43 6.276 5.327 -5.767 325 HG23 THR 43 3HG2 THR 43 6.770 5.144 -4.085 326 H TYR 44 H TYR 44 4.772 7.606 -4.057 327 HA TYR 44 HA TYR 44 5.675 9.764 -2.287 328 HB2 TYR 44 2HB TYR 44 4.136 10.980 -3.546 329 HB3 TYR 44 3HB TYR 44 3.065 9.600 -3.757 330 HD1 TYR 44 HD1 TYR 44 1.475 8.980 -2.023 331 HD2 TYR 44 HD2 TYR 44 4.050 12.331 -1.532 332 HE1 TYR 44 HE1 TYR 44 0.088 9.763 -0.149 333 HE2 TYR 44 HE2 TYR 44 2.671 13.123 0.344 334 HH TYR 44 HH TYR 44 -0.122 12.567 0.937 335 H ASP 45 H ASP 45 5.515 9.259 -0.199 336 HA ASP 45 HA ASP 45 4.139 6.780 0.521 337 HB2 ASP 45 2HB ASP 45 6.572 7.265 1.150 338 HB3 ASP 45 3HB ASP 45 5.926 8.417 2.315 339 H SER 46 H SER 46 2.249 6.789 1.534 340 HA SER 46 HA SER 46 1.070 9.295 2.357 341 HB2 SER 46 2HB SER 46 -0.439 7.860 1.241 342 HB3 SER 46 3HB SER 46 0.058 6.460 2.192 343 HG SER 46 HG SER 46 -1.759 8.447 2.782 344 H TYR 47 H TYR 47 2.922 6.889 3.822 345 HA TYR 47 HA TYR 47 1.769 7.078 6.454 346 HB2 TYR 47 2HB TYR 47 2.980 5.051 5.554 347 HB3 TYR 47 3HB TYR 47 4.477 5.964 5.712 348 HD1 TYR 47 HD1 TYR 47 5.601 6.077 7.772 349 HD2 TYR 47 HD2 TYR 47 1.603 4.629 7.646 350 HE1 TYR 47 HE1 TYR 47 5.790 5.372 10.120 351 HE2 TYR 47 HE2 TYR 47 1.780 3.920 9.995 352 HH TYR 47 HH TYR 47 4.081 3.265 11.550 353 H ASN 48 H ASN 48 4.652 8.331 4.819 354 HA ASN 48 HA ASN 48 5.127 10.093 7.128 355 HB2 ASN 48 2HB ASN 48 7.333 10.255 5.397 356 HB3 ASN 48 3HB ASN 48 7.255 9.422 6.947 357 HD21 ASN 48 1HD2 ASN 48 7.865 9.079 3.712 358 HD22 ASN 48 2HD2 ASN 48 7.731 7.361 3.587 359 H ARG 49 H ARG 49 3.649 10.128 4.227 360 HA ARG 49 HA ARG 49 3.044 11.725 2.721 361 HB2 ARG 49 2HB ARG 49 3.676 13.470 5.104 362 HB3 ARG 49 3HB ARG 49 2.899 14.061 3.641 363 HG2 ARG 49 2HG ARG 49 1.030 12.543 4.003 364 HG3 ARG 49 3HG ARG 49 1.815 11.915 5.454 365 HD2 ARG 49 2HD ARG 49 1.237 14.840 5.150 366 HD3 ARG 49 3HD ARG 49 -0.008 13.724 5.709 367 HE ARG 49 HE ARG 49 2.275 13.292 7.248 368 HH11 ARG 49 1HH1 ARG 49 -0.068 15.803 6.676 369 HH12 ARG 49 2HH1 ARG 49 0.078 16.481 8.263 370 HH21 ARG 49 1HH2 ARG 49 2.476 14.176 9.341 371 HH22 ARG 49 2HH2 ARG 49 1.526 15.555 9.778 372 H LYS 50 H LYS 50 5.852 10.885 2.797 373 HA LYS 50 HA LYS 50 7.149 13.313 1.750 374 HB2 LYS 50 2HB LYS 50 8.545 12.575 3.451 375 HB3 LYS 50 3HB LYS 50 8.206 10.878 3.133 376 HG2 LYS 50 2HG LYS 50 9.753 10.736 1.457 377 HG3 LYS 50 3HG LYS 50 9.636 12.451 1.054 378 HD2 LYS 50 2HD LYS 50 11.736 12.237 2.067 379 HD3 LYS 50 3HD LYS 50 10.699 12.869 3.348 380 HE2 LYS 50 2HE LYS 50 10.525 10.739 4.376 381 HE3 LYS 50 3HE LYS 50 11.239 9.931 2.981 382 HZ1 LYS 50 1HZ LYS 50 12.955 11.941 4.073 383 HZ2 LYS 50 2HZ LYS 50 13.278 10.315 3.741 384 HZ3 LYS 50 3HZ LYS 50 12.569 10.752 5.213 385 H VAL 51 H VAL 51 8.040 13.317 -0.277 386 HA VAL 51 HA VAL 51 7.248 11.092 -2.012 387 HB VAL 51 HB VAL 51 8.228 13.837 -2.805 388 HG11 VAL 51 1HG1 VAL 51 7.603 13.311 -5.004 389 HG12 VAL 51 2HG1 VAL 51 8.459 11.880 -4.426 390 HG13 VAL 51 3HG1 VAL 51 6.696 11.886 -4.497 391 HG21 VAL 51 1HG2 VAL 51 6.042 13.725 -1.504 392 HG22 VAL 51 2HG2 VAL 51 5.992 14.516 -3.079 393 HG23 VAL 51 3HG2 VAL 51 5.384 12.871 -2.899 394 H LYS 52 H LYS 52 8.689 9.734 -2.854 395 HA LYS 52 HA LYS 52 11.543 10.449 -2.675 396 HB2 LYS 52 2HB LYS 52 11.009 8.615 -1.181 397 HB3 LYS 52 3HB LYS 52 10.221 7.736 -2.485 398 HG2 LYS 52 2HG LYS 52 12.454 7.708 -3.656 399 HG3 LYS 52 3HG LYS 52 13.151 8.310 -2.150 400 HD2 LYS 52 2HD LYS 52 12.823 6.337 -1.050 401 HD3 LYS 52 3HD LYS 52 11.389 5.925 -1.993 402 HE2 LYS 52 2HE LYS 52 14.113 5.963 -3.245 403 HE3 LYS 52 3HE LYS 52 13.543 4.555 -2.352 404 HZ1 LYS 52 1HZ LYS 52 12.714 3.965 -4.333 405 HZ2 LYS 52 2HZ LYS 52 12.747 5.538 -4.953 406 HZ3 LYS 52 3HZ LYS 52 11.465 5.045 -3.965 407 H CYS 53 H CYS 53 12.498 10.767 -4.564 408 HA CYS 53 HA CYS 53 11.602 9.201 -6.888 409 HB2 CYS 53 2HB CYS 53 12.563 11.980 -7.350 410 HB3 CYS 53 3HB CYS 53 11.379 11.035 -8.248 411 H ASP 54 H ASP 54 13.187 8.512 -8.272 412 HA ASP 54 HA ASP 54 15.941 9.377 -7.770 413 HB2 ASP 54 2HB ASP 54 16.470 6.800 -8.117 414 HB3 ASP 54 3HB ASP 54 16.113 7.458 -6.522 415 H PHE 55 H PHE 55 17.055 9.711 -9.588 416 HA PHE 55 HA PHE 55 16.319 8.296 -12.031 417 HB2 PHE 55 2HB PHE 55 16.536 11.310 -11.969 418 HB3 PHE 55 3HB PHE 55 16.104 10.304 -13.347 419 HD1 PHE 55 HD1 PHE 55 13.898 9.353 -13.552 420 HD2 PHE 55 HD2 PHE 55 14.951 11.742 -10.191 421 HE1 PHE 55 HE1 PHE 55 11.519 9.564 -12.961 422 HE2 PHE 55 HE2 PHE 55 12.574 11.956 -9.594 423 HZ PHE 55 HZ PHE 55 10.854 10.865 -10.979 424 H ARG 56 H ARG 56 17.892 8.984 -13.855 425 HA ARG 56 HA ARG 56 20.484 9.894 -13.005 426 HB2 ARG 56 2HB ARG 56 21.584 7.726 -13.808 427 HB3 ARG 56 3HB ARG 56 20.829 7.707 -12.220 428 HG2 ARG 56 2HG ARG 56 19.218 6.253 -12.849 429 HG3 ARG 56 3HG ARG 56 19.137 6.884 -14.495 430 HD2 ARG 56 2HD ARG 56 21.455 5.827 -14.800 431 HD3 ARG 56 3HD ARG 56 21.095 4.938 -13.320 432 HE ARG 56 HE ARG 56 18.923 4.483 -14.874 433 HH11 ARG 56 1HH1 ARG 56 22.351 4.129 -15.366 434 HH12 ARG 56 2HH1 ARG 56 22.188 2.803 -16.469 435 HH21 ARG 56 1HH2 ARG 56 18.695 2.737 -16.324 436 HH22 ARG 56 2HH2 ARG 56 20.108 2.012 -17.014 437 H HIS 57 H HIS 57 21.873 10.354 -14.736 438 HA HIS 57 HA HIS 57 22.426 10.970 -16.856 439 HB2 HIS 57 2HB HIS 57 21.588 8.367 -17.076 440 HB3 HIS 57 3HB HIS 57 20.553 9.183 -18.244 441 HD1 HIS 57 HD1 HIS 57 22.215 11.024 -19.740 442 HD2 HIS 57 HD2 HIS 57 23.778 7.441 -18.334 443 HE1 HIS 57 HE1 HIS 57 24.229 10.561 -21.173 Start of MODEL 12 1 H1 LEU 1 H LEU 1 3.382 -1.307 -0.510 2 HA LEU 1 HA LEU 1 4.181 -1.038 -2.665 3 HB2 LEU 1 2HB LEU 1 2.373 -2.545 -3.447 4 HB3 LEU 1 3HB LEU 1 1.299 -1.151 -3.541 5 HG LEU 1 HG LEU 1 3.509 -0.446 -5.083 6 HD11 LEU 1 1HD1 LEU 1 4.445 -2.540 -5.337 7 HD12 LEU 1 2HD1 LEU 1 3.369 -2.446 -6.731 8 HD13 LEU 1 3HD1 LEU 1 2.883 -3.359 -5.303 9 HD21 LEU 1 1HD2 LEU 1 1.959 -0.270 -6.799 10 HD22 LEU 1 2HD2 LEU 1 0.958 -0.135 -5.353 11 HD23 LEU 1 3HD2 LEU 1 1.029 -1.659 -6.239 12 H GLU 2 H GLU 2 4.963 0.936 -2.932 13 HA GLU 2 HA GLU 2 3.781 3.294 -2.087 14 HB2 GLU 2 2HB GLU 2 6.001 2.662 -3.989 15 HB3 GLU 2 3HB GLU 2 5.425 4.319 -3.873 16 HG2 GLU 2 2HG GLU 2 7.052 4.413 -2.310 17 HG3 GLU 2 3HG GLU 2 5.736 3.845 -1.284 18 H TYR 3 H TYR 3 3.199 5.191 -3.475 19 HA TYR 3 HA TYR 3 1.128 4.384 -5.323 20 HB2 TYR 3 2HB TYR 3 1.966 7.031 -4.154 21 HB3 TYR 3 3HB TYR 3 0.752 6.922 -5.424 22 HD1 TYR 3 HD1 TYR 3 -1.019 4.875 -4.831 23 HD2 TYR 3 HD2 TYR 3 1.081 7.320 -2.054 24 HE1 TYR 3 HE1 TYR 3 -2.752 4.434 -3.142 25 HE2 TYR 3 HE2 TYR 3 -0.645 6.885 -0.356 26 HH TYR 3 HH TYR 3 -2.650 4.507 -0.339 27 H LYS 4 H LYS 4 1.015 4.854 -7.495 28 HA LYS 4 HA LYS 4 3.558 5.221 -8.826 29 HB2 LYS 4 2HB LYS 4 0.772 4.621 -9.811 30 HB3 LYS 4 3HB LYS 4 2.118 4.909 -10.906 31 HG2 LYS 4 2HG LYS 4 1.950 2.720 -8.844 32 HG3 LYS 4 3HG LYS 4 1.745 2.533 -10.587 33 HD2 LYS 4 2HD LYS 4 4.114 3.633 -10.689 34 HD3 LYS 4 3HD LYS 4 4.224 3.090 -9.013 35 HE2 LYS 4 2HE LYS 4 3.431 0.811 -9.972 36 HE3 LYS 4 3HE LYS 4 3.963 1.472 -11.518 37 HZ1 LYS 4 1HZ LYS 4 5.959 1.925 -9.595 38 HZ2 LYS 4 2HZ LYS 4 6.039 0.976 -10.992 39 HZ3 LYS 4 3HZ LYS 4 5.522 0.292 -9.534 40 H GLY 5 H GLY 5 4.292 7.253 -8.966 41 HA2 GLY 5 2HA GLY 5 2.460 9.275 -10.082 42 HA3 GLY 5 3HA GLY 5 3.464 9.659 -8.692 43 H GLU 6 H GLU 6 3.494 11.045 -11.171 44 HA GLU 6 HA GLU 6 6.123 10.286 -12.256 45 HB2 GLU 6 2HB GLU 6 5.397 11.887 -14.149 46 HB3 GLU 6 3HB GLU 6 4.656 10.295 -14.068 47 HG2 GLU 6 2HG GLU 6 2.688 11.238 -13.009 48 HG3 GLU 6 3HG GLU 6 3.432 12.836 -13.019 49 H CYS 7 H CYS 7 7.428 12.199 -13.053 50 HA CYS 7 HA CYS 7 7.207 14.430 -11.139 51 HB2 CYS 7 2HB CYS 7 9.349 14.173 -10.507 52 HB3 CYS 7 3HB CYS 7 9.251 12.581 -11.252 53 H PHE 8 H PHE 8 8.311 16.437 -11.881 54 HA PHE 8 HA PHE 8 7.818 16.821 -14.752 55 HB2 PHE 8 2HB PHE 8 7.695 18.680 -12.391 56 HB3 PHE 8 3HB PHE 8 7.823 19.305 -14.032 57 HD1 PHE 8 HD1 PHE 8 5.846 19.996 -14.941 58 HD2 PHE 8 HD2 PHE 8 5.831 16.675 -12.279 59 HE1 PHE 8 HE1 PHE 8 3.408 19.797 -15.209 60 HE2 PHE 8 HE2 PHE 8 3.393 16.470 -12.543 61 HZ PHE 8 HZ PHE 8 2.179 18.032 -14.009 62 H THR 9 H THR 9 9.177 18.769 -15.624 63 HA THR 9 HA THR 9 11.790 17.977 -15.926 64 HB THR 9 HB THR 9 11.802 20.812 -16.119 65 HG1 THR 9 HG1 THR 9 9.835 21.309 -16.719 66 HG21 THR 9 1HG2 THR 9 11.221 19.046 -18.455 67 HG22 THR 9 2HG2 THR 9 12.745 18.847 -17.590 68 HG23 THR 9 3HG2 THR 9 12.341 20.401 -18.320 69 H LYS 10 H LYS 10 13.612 19.831 -15.417 70 HA LYS 10 HA LYS 10 14.396 19.410 -12.797 71 HB2 LYS 10 2HB LYS 10 15.504 20.605 -15.018 72 HB3 LYS 10 3HB LYS 10 15.350 21.951 -13.897 73 HG2 LYS 10 2HG LYS 10 17.338 21.270 -13.142 74 HG3 LYS 10 3HG LYS 10 16.409 20.036 -12.287 75 HD2 LYS 10 2HD LYS 10 17.570 18.492 -13.391 76 HD3 LYS 10 3HD LYS 10 16.792 19.040 -14.878 77 HE2 LYS 10 2HE LYS 10 18.674 20.888 -14.761 78 HE3 LYS 10 3HE LYS 10 19.495 19.662 -13.798 79 HZ1 LYS 10 1HZ LYS 10 18.926 19.707 -16.635 80 HZ2 LYS 10 2HZ LYS 10 18.647 18.219 -15.882 81 HZ3 LYS 10 3HZ LYS 10 20.176 18.938 -15.793 82 H ASP 11 H ASP 11 11.813 21.203 -13.761 83 HA ASP 11 HA ASP 11 11.971 23.469 -12.065 84 HB2 ASP 11 2HB ASP 11 9.903 22.158 -13.714 85 HB3 ASP 11 3HB ASP 11 9.294 23.082 -12.343 86 H ASN 12 H ASN 12 11.830 20.274 -11.279 87 HA ASN 12 HA ASN 12 11.390 19.117 -9.371 88 HB2 ASN 12 2HB ASN 12 11.885 21.880 -8.479 89 HB3 ASN 12 3HB ASN 12 10.976 20.895 -7.337 90 HD21 ASN 12 1HD2 ASN 12 12.056 18.432 -7.686 91 HD22 ASN 12 2HD2 ASN 12 13.723 18.445 -7.230 92 H THR 13 H THR 13 9.435 18.209 -9.868 93 HA THR 13 HA THR 13 7.177 19.071 -8.356 94 HB THR 13 HB THR 13 6.220 18.943 -11.092 95 HG1 THR 13 HG1 THR 13 7.077 21.257 -11.364 96 HG21 THR 13 1HG2 THR 13 5.946 20.778 -8.736 97 HG22 THR 13 2HG2 THR 13 4.726 19.762 -9.504 98 HG23 THR 13 3HG2 THR 13 5.286 21.227 -10.309 99 H CYS 14 H CYS 14 5.427 17.557 -8.416 100 HA CYS 14 HA CYS 14 5.805 15.119 -9.959 101 HB2 CYS 14 2HB CYS 14 6.158 15.320 -7.006 102 HB3 CYS 14 3HB CYS 14 5.337 13.897 -7.640 103 H LYS 15 H LYS 15 3.928 13.983 -10.311 104 HA LYS 15 HA LYS 15 1.485 15.027 -9.044 105 HB2 LYS 15 2HB LYS 15 1.559 15.982 -11.252 106 HB3 LYS 15 3HB LYS 15 1.934 14.420 -11.969 107 HG2 LYS 15 2HG LYS 15 -0.360 14.931 -12.398 108 HG3 LYS 15 3HG LYS 15 -0.289 13.604 -11.235 109 HD2 LYS 15 2HD LYS 15 -1.792 14.867 -10.118 110 HD3 LYS 15 3HD LYS 15 -0.347 15.710 -9.552 111 HE2 LYS 15 2HE LYS 15 -0.615 17.426 -11.175 112 HE3 LYS 15 3HE LYS 15 -1.861 16.515 -12.027 113 HZ1 LYS 15 1HZ LYS 15 -2.243 17.340 -9.220 114 HZ2 LYS 15 2HZ LYS 15 -3.411 16.940 -10.376 115 HZ3 LYS 15 3HZ LYS 15 -2.579 18.409 -10.488 116 H TYR 16 H TYR 16 0.705 13.426 -7.841 117 HA TYR 16 HA TYR 16 0.768 10.691 -8.938 118 HB2 TYR 16 2HB TYR 16 0.912 9.830 -6.719 119 HB3 TYR 16 3HB TYR 16 2.111 11.112 -6.839 120 HD1 TYR 16 HD1 TYR 16 -0.534 9.810 -4.911 121 HD2 TYR 16 HD2 TYR 16 1.302 13.479 -6.039 122 HE1 TYR 16 HE1 TYR 16 -1.513 10.900 -2.935 123 HE2 TYR 16 HE2 TYR 16 0.329 14.579 -4.066 124 HH TYR 16 HH TYR 16 -1.839 12.832 -1.870 125 H LYS 17 H LYS 17 -1.061 9.371 -8.652 126 HA LYS 17 HA LYS 17 -3.542 10.859 -8.088 127 HB2 LYS 17 2HB LYS 17 -3.436 10.249 -10.420 128 HB3 LYS 17 3HB LYS 17 -3.036 8.585 -10.013 129 HG2 LYS 17 2HG LYS 17 -5.233 8.254 -9.058 130 HG3 LYS 17 3HG LYS 17 -5.640 9.946 -9.352 131 HD2 LYS 17 2HD LYS 17 -6.186 9.532 -11.476 132 HD3 LYS 17 3HD LYS 17 -4.696 8.628 -11.756 133 HE2 LYS 17 2HE LYS 17 -6.248 6.975 -12.075 134 HE3 LYS 17 3HE LYS 17 -5.936 6.785 -10.351 135 HZ1 LYS 17 1HZ LYS 17 -8.118 8.523 -11.314 136 HZ2 LYS 17 2HZ LYS 17 -7.933 7.797 -9.798 137 HZ3 LYS 17 3HZ LYS 17 -8.350 6.856 -11.140 138 H ILE 18 H ILE 18 -5.001 10.016 -6.685 139 HA ILE 18 HA ILE 18 -4.405 7.367 -5.540 140 HB ILE 18 HB ILE 18 -5.406 9.753 -3.983 141 HG12 ILE 18 2HG1 ILE 18 -3.063 10.046 -4.671 142 HG13 ILE 18 3HG1 ILE 18 -3.191 9.784 -2.935 143 HG21 ILE 18 1HG2 ILE 18 -4.645 8.137 -2.079 144 HG22 ILE 18 2HG2 ILE 18 -6.223 7.932 -2.839 145 HG23 ILE 18 3HG2 ILE 18 -4.876 6.896 -3.310 146 HD11 ILE 18 1HD1 ILE 18 -1.784 8.255 -4.941 147 HD12 ILE 18 2HD1 ILE 18 -1.623 8.239 -3.185 148 HD13 ILE 18 3HD1 ILE 18 -2.852 7.245 -3.967 149 H ASP 19 H ASP 19 -6.169 6.130 -4.863 150 HA ASP 19 HA ASP 19 -8.448 6.166 -6.401 151 HB2 ASP 19 2HB ASP 19 -7.682 4.876 -3.842 152 HB3 ASP 19 3HB ASP 19 -9.403 4.918 -4.214 153 H GLY 20 H GLY 20 -10.064 7.566 -6.548 154 HA2 GLY 20 2HA GLY 20 -11.996 8.576 -5.494 155 HA3 GLY 20 3HA GLY 20 -10.995 8.893 -4.084 156 H LYS 21 H LYS 21 -9.182 10.437 -4.401 157 HA LYS 21 HA LYS 21 -9.835 12.468 -6.432 158 HB2 LYS 21 2HB LYS 21 -9.295 12.811 -3.495 159 HB3 LYS 21 3HB LYS 21 -8.986 14.122 -4.626 160 HG2 LYS 21 2HG LYS 21 -11.640 12.749 -4.256 161 HG3 LYS 21 3HG LYS 21 -11.182 14.296 -3.540 162 HD2 LYS 21 2HD LYS 21 -11.356 13.683 -6.490 163 HD3 LYS 21 3HD LYS 21 -12.517 14.628 -5.554 164 HE2 LYS 21 2HE LYS 21 -10.200 15.912 -4.967 165 HE3 LYS 21 3HE LYS 21 -9.879 15.375 -6.615 166 HZ1 LYS 21 1HZ LYS 21 -12.469 16.407 -6.543 167 HZ2 LYS 21 2HZ LYS 21 -11.120 17.037 -7.344 168 HZ3 LYS 21 3HZ LYS 21 -11.467 17.524 -5.761 169 H THR 22 H THR 22 -8.099 13.679 -7.250 170 HA THR 22 HA THR 22 -5.494 12.368 -6.918 171 HB THR 22 HB THR 22 -6.485 14.188 -9.121 172 HG1 THR 22 HG1 THR 22 -7.334 12.297 -9.654 173 HG21 THR 22 1HG2 THR 22 -3.813 12.967 -8.549 174 HG22 THR 22 2HG2 THR 22 -4.204 14.587 -9.127 175 HG23 THR 22 3HG2 THR 22 -4.330 13.207 -10.218 176 H TYR 23 H TYR 23 -3.670 13.481 -6.348 177 HA TYR 23 HA TYR 23 -3.943 16.354 -5.795 178 HB2 TYR 23 2HB TYR 23 -2.398 14.625 -3.901 179 HB3 TYR 23 3HB TYR 23 -3.158 16.187 -3.618 180 HD1 TYR 23 HD1 TYR 23 -5.388 16.338 -2.819 181 HD2 TYR 23 HD2 TYR 23 -3.821 12.572 -4.032 182 HE1 TYR 23 HE1 TYR 23 -7.338 15.215 -1.829 183 HE2 TYR 23 HE2 TYR 23 -5.768 11.439 -3.045 184 HH TYR 23 HH TYR 23 -7.462 11.922 -1.244 185 H LEU 24 H LEU 24 -1.742 17.347 -5.317 186 HA LEU 24 HA LEU 24 0.205 16.228 -7.216 187 HB2 LEU 24 2HB LEU 24 -0.761 18.492 -7.671 188 HB3 LEU 24 3HB LEU 24 0.028 19.058 -6.201 189 HG LEU 24 HG LEU 24 2.204 18.229 -7.337 190 HD11 LEU 24 1HD1 LEU 24 0.419 18.559 -9.744 191 HD12 LEU 24 2HD1 LEU 24 1.099 17.037 -9.169 192 HD13 LEU 24 3HD1 LEU 24 2.165 18.309 -9.765 193 HD21 LEU 24 1HD2 LEU 24 0.673 20.672 -8.211 194 HD22 LEU 24 2HD2 LEU 24 2.380 20.403 -8.564 195 HD23 LEU 24 3HD2 LEU 24 1.837 20.543 -6.892 196 H ALA 25 H ALA 25 2.418 16.202 -6.691 197 HA ALA 25 HA ALA 25 3.044 16.575 -3.838 198 HB1 ALA 25 1HB ALA 25 4.709 14.528 -4.657 199 HB2 ALA 25 2HB ALA 25 3.261 14.365 -3.663 200 HB3 ALA 25 3HB ALA 25 3.161 14.138 -5.409 201 H LYS 26 H LYS 26 5.206 17.132 -3.353 202 HA LYS 26 HA LYS 26 6.671 18.263 -5.643 203 HB2 LYS 26 2HB LYS 26 5.735 19.658 -3.568 204 HB3 LYS 26 3HB LYS 26 7.263 19.146 -2.864 205 HG2 LYS 26 2HG LYS 26 7.130 20.468 -5.552 206 HG3 LYS 26 3HG LYS 26 7.201 21.397 -4.053 207 HD2 LYS 26 2HD LYS 26 9.198 19.402 -3.896 208 HD3 LYS 26 3HD LYS 26 9.326 20.144 -5.493 209 HE2 LYS 26 2HE LYS 26 9.826 22.217 -4.636 210 HE3 LYS 26 3HE LYS 26 9.005 21.902 -3.108 211 HZ1 LYS 26 1HZ LYS 26 11.067 21.614 -2.333 212 HZ2 LYS 26 2HZ LYS 26 11.739 21.385 -3.868 213 HZ3 LYS 26 3HZ LYS 26 10.994 20.093 -3.070 214 H CYS 27 H CYS 27 8.856 17.897 -5.865 215 HA CYS 27 HA CYS 27 9.972 15.806 -4.117 216 HB2 CYS 27 2HB CYS 27 10.245 16.346 -7.052 217 HB3 CYS 27 3HB CYS 27 11.540 15.511 -6.199 218 HA PRO 28 HA PRO 28 13.252 18.437 -2.863 219 HB2 PRO 28 2HB PRO 28 15.331 16.699 -2.714 220 HB3 PRO 28 3HB PRO 28 13.998 16.703 -1.553 221 HG2 PRO 28 2HG PRO 28 14.440 14.930 -3.924 222 HG3 PRO 28 3HG PRO 28 13.881 14.503 -2.296 223 HD2 PRO 28 2HD PRO 28 12.188 14.786 -4.390 224 HD3 PRO 28 3HD PRO 28 11.720 15.181 -2.724 225 H SER 29 H SER 29 15.217 19.450 -3.517 226 HA SER 29 HA SER 29 15.577 19.444 -6.394 227 HB2 SER 29 2HB SER 29 17.390 21.256 -5.490 228 HB3 SER 29 3HB SER 29 15.696 21.635 -5.803 229 HG SER 29 HG SER 29 16.341 22.320 -3.725 230 H ALA 30 H ALA 30 16.684 17.455 -4.167 231 HA ALA 30 HA ALA 30 19.428 17.414 -4.168 232 HB1 ALA 30 1HB ALA 30 18.865 15.668 -2.908 233 HB2 ALA 30 2HB ALA 30 17.314 15.481 -3.727 234 HB3 ALA 30 3HB ALA 30 18.763 14.739 -4.404 235 H ALA 31 H ALA 31 21.033 16.740 -5.522 236 HA ALA 31 HA ALA 31 20.650 16.902 -8.287 237 HB1 ALA 31 1HB ALA 31 22.831 16.710 -6.544 238 HB2 ALA 31 2HB ALA 31 22.994 15.358 -7.666 239 HB3 ALA 31 3HB ALA 31 22.868 17.006 -8.282 240 H ASN 32 H ASN 32 20.978 14.075 -6.172 241 HA ASN 32 HA ASN 32 20.655 12.243 -8.389 242 HB2 ASN 32 2HB ASN 32 21.975 11.992 -6.062 243 HB3 ASN 32 3HB ASN 32 20.439 11.272 -5.590 244 HD21 ASN 32 1HD2 ASN 32 22.510 11.212 -8.476 245 HD22 ASN 32 2HD2 ASN 32 22.525 9.491 -8.634 246 H THR 33 H THR 33 18.606 14.050 -6.465 247 HA THR 33 HA THR 33 16.378 12.168 -6.896 248 HB THR 33 HB THR 33 16.091 14.403 -4.948 249 HG1 THR 33 HG1 THR 33 17.070 13.054 -3.333 250 HG21 THR 33 1HG2 THR 33 15.227 11.518 -4.790 251 HG22 THR 33 2HG2 THR 33 14.264 12.783 -5.554 252 HG23 THR 33 3HG2 THR 33 14.635 12.875 -3.833 253 H LYS 34 H LYS 34 17.631 14.446 -8.550 254 HA LYS 34 HA LYS 34 15.308 16.204 -8.817 255 HB2 LYS 34 2HB LYS 34 18.172 16.378 -9.506 256 HB3 LYS 34 3HB LYS 34 17.077 17.099 -10.678 257 HG2 LYS 34 2HG LYS 34 16.320 17.886 -8.028 258 HG3 LYS 34 3HG LYS 34 18.031 18.224 -8.298 259 HD2 LYS 34 2HD LYS 34 16.262 18.944 -10.531 260 HD3 LYS 34 3HD LYS 34 15.993 19.861 -9.046 261 HE2 LYS 34 2HE LYS 34 18.715 19.484 -10.274 262 HE3 LYS 34 3HE LYS 34 17.661 20.838 -10.679 263 HZ1 LYS 34 1HZ LYS 34 17.621 21.018 -8.049 264 HZ2 LYS 34 2HZ LYS 34 18.803 21.779 -8.990 265 HZ3 LYS 34 3HZ LYS 34 19.146 20.308 -8.228 266 H CYS 35 H CYS 35 14.988 16.867 -11.274 267 HA CYS 35 HA CYS 35 14.789 14.379 -12.841 268 HB2 CYS 35 2HB CYS 35 12.766 16.614 -12.602 269 HB3 CYS 35 3HB CYS 35 12.667 15.317 -13.788 270 H GLU 36 H GLU 36 15.616 14.446 -14.833 271 HA GLU 36 HA GLU 36 16.737 16.958 -15.781 272 HB2 GLU 36 2HB GLU 36 18.174 15.711 -17.075 273 HB3 GLU 36 3HB GLU 36 17.866 14.585 -15.761 274 HG2 GLU 36 2HG GLU 36 16.558 14.573 -18.470 275 HG3 GLU 36 3HG GLU 36 17.776 13.442 -17.882 276 H LYS 37 H LYS 37 14.045 14.915 -16.375 277 HA LYS 37 HA LYS 37 13.123 16.711 -18.465 278 HB2 LYS 37 2HB LYS 37 14.401 14.671 -19.457 279 HB3 LYS 37 3HB LYS 37 12.962 13.764 -19.010 280 HG2 LYS 37 2HG LYS 37 11.722 15.653 -20.321 281 HG3 LYS 37 3HG LYS 37 13.302 15.887 -21.071 282 HD2 LYS 37 2HD LYS 37 13.166 13.257 -21.331 283 HD3 LYS 37 3HD LYS 37 11.433 13.577 -21.243 284 HE2 LYS 37 2HE LYS 37 11.812 15.319 -23.049 285 HE3 LYS 37 3HE LYS 37 13.422 14.626 -23.242 286 HZ1 LYS 37 1HZ LYS 37 11.415 12.609 -23.255 287 HZ2 LYS 37 2HZ LYS 37 12.594 12.954 -24.417 288 HZ3 LYS 37 3HZ LYS 37 11.112 13.768 -24.450 289 H ASP 38 H ASP 38 10.892 16.800 -18.658 290 HA ASP 38 HA ASP 38 9.402 16.063 -16.367 291 HB2 ASP 38 2HB ASP 38 8.968 18.018 -17.955 292 HB3 ASP 38 3HB ASP 38 8.216 16.842 -19.028 293 H GLY 39 H GLY 39 7.810 14.511 -16.076 294 HA2 GLY 39 2HA GLY 39 6.421 12.717 -16.773 295 HA3 GLY 39 3HA GLY 39 7.407 12.551 -18.219 296 H ASN 40 H ASN 40 9.625 12.906 -15.903 297 HA ASN 40 HA ASN 40 10.544 10.282 -15.966 298 HB2 ASN 40 2HB ASN 40 11.388 12.724 -14.839 299 HB3 ASN 40 3HB ASN 40 11.354 11.563 -13.515 300 HD21 ASN 40 1HD2 ASN 40 12.524 12.018 -16.815 301 HD22 ASN 40 2HD2 ASN 40 13.950 11.060 -16.629 302 H LYS 41 H LYS 41 11.035 9.164 -13.676 303 HA LYS 41 HA LYS 41 8.440 8.313 -12.730 304 HB2 LYS 41 2HB LYS 41 11.008 7.145 -12.955 305 HB3 LYS 41 3HB LYS 41 10.602 7.151 -11.244 306 HG2 LYS 41 2HG LYS 41 8.934 5.975 -13.459 307 HG3 LYS 41 3HG LYS 41 9.908 5.078 -12.291 308 HD2 LYS 41 2HD LYS 41 8.421 6.497 -10.587 309 HD3 LYS 41 3HD LYS 41 7.298 6.443 -11.948 310 HE2 LYS 41 2HE LYS 41 6.759 4.341 -11.472 311 HE3 LYS 41 3HE LYS 41 8.451 3.852 -11.547 312 HZ1 LYS 41 1HZ LYS 41 7.063 3.617 -9.354 313 HZ2 LYS 41 2HZ LYS 41 7.518 5.232 -9.140 314 HZ3 LYS 41 3HZ LYS 41 8.702 4.035 -9.306 315 H CYS 42 H CYS 42 7.761 8.326 -10.551 316 HA CYS 42 HA CYS 42 9.261 10.004 -8.688 317 HB2 CYS 42 2HB CYS 42 7.566 11.394 -10.010 318 HB3 CYS 42 3HB CYS 42 6.323 10.495 -9.146 319 H THR 43 H THR 43 8.500 9.827 -6.472 320 HA THR 43 HA THR 43 6.830 7.466 -5.952 321 HB THR 43 HB THR 43 8.968 7.726 -4.000 322 HG1 THR 43 HG1 THR 43 9.665 7.206 -6.716 323 HG21 THR 43 1HG2 THR 43 9.009 5.396 -4.132 324 HG22 THR 43 2HG2 THR 43 8.459 5.386 -5.808 325 HG23 THR 43 3HG2 THR 43 7.334 5.794 -4.513 326 H TYR 44 H TYR 44 5.627 7.527 -4.067 327 HA TYR 44 HA TYR 44 5.862 9.923 -2.390 328 HB2 TYR 44 2HB TYR 44 4.114 10.537 -3.878 329 HB3 TYR 44 3HB TYR 44 3.375 8.943 -3.786 330 HD1 TYR 44 HD1 TYR 44 4.572 11.084 -0.991 331 HD2 TYR 44 HD2 TYR 44 1.219 9.398 -2.996 332 HE1 TYR 44 HE1 TYR 44 3.101 11.876 0.814 333 HE2 TYR 44 HE2 TYR 44 -0.261 10.187 -1.197 334 HH TYR 44 HH TYR 44 0.295 12.447 0.784 335 H ASP 45 H ASP 45 6.144 9.271 -0.373 336 HA ASP 45 HA ASP 45 5.043 6.689 0.471 337 HB2 ASP 45 2HB ASP 45 7.513 7.270 0.761 338 HB3 ASP 45 3HB ASP 45 6.994 8.393 2.015 339 H SER 46 H SER 46 3.116 6.775 1.406 340 HA SER 46 HA SER 46 2.107 9.174 2.615 341 HB2 SER 46 2HB SER 46 0.066 8.170 2.507 342 HB3 SER 46 3HB SER 46 0.900 7.078 1.401 343 HG SER 46 HG SER 46 0.238 5.623 2.777 344 H TYR 47 H TYR 47 3.931 6.518 3.696 345 HA TYR 47 HA TYR 47 3.029 6.410 6.392 346 HB2 TYR 47 2HB TYR 47 4.326 4.610 5.173 347 HB3 TYR 47 3HB TYR 47 5.759 5.612 5.376 348 HD1 TYR 47 HD1 TYR 47 3.287 3.515 7.091 349 HD2 TYR 47 HD2 TYR 47 6.804 5.866 7.545 350 HE1 TYR 47 HE1 TYR 47 3.649 2.533 9.317 351 HE2 TYR 47 HE2 TYR 47 7.176 4.890 9.771 352 HH TYR 47 HH TYR 47 5.706 3.808 11.575 353 H ASN 48 H ASN 48 5.696 8.079 4.765 354 HA ASN 48 HA ASN 48 6.201 9.577 7.247 355 HB2 ASN 48 2HB ASN 48 8.249 10.117 5.383 356 HB3 ASN 48 3HB ASN 48 8.361 9.153 6.852 357 HD21 ASN 48 1HD2 ASN 48 8.762 9.138 3.573 358 HD22 ASN 48 2HD2 ASN 48 8.749 7.432 3.298 359 H ARG 49 H ARG 49 4.523 9.848 4.468 360 HA ARG 49 HA ARG 49 3.644 11.571 3.271 361 HB2 ARG 49 2HB ARG 49 4.567 13.404 5.475 362 HB3 ARG 49 3HB ARG 49 3.168 13.582 4.425 363 HG2 ARG 49 2HG ARG 49 2.429 11.336 5.564 364 HG3 ARG 49 3HG ARG 49 3.531 11.876 6.831 365 HD2 ARG 49 2HD ARG 49 1.436 13.705 5.711 366 HD3 ARG 49 3HD ARG 49 1.047 12.547 6.983 367 HE ARG 49 HE ARG 49 3.334 14.171 7.586 368 HH11 ARG 49 1HH1 ARG 49 -0.142 14.000 7.672 369 HH12 ARG 49 2HH1 ARG 49 -0.296 15.138 8.969 370 HH21 ARG 49 1HH2 ARG 49 3.144 15.671 9.294 371 HH22 ARG 49 2HH2 ARG 49 1.574 16.089 9.890 372 H LYS 50 H LYS 50 6.510 10.879 2.997 373 HA LYS 50 HA LYS 50 7.546 13.456 2.018 374 HB2 LYS 50 2HB LYS 50 9.134 12.662 3.530 375 HB3 LYS 50 3HB LYS 50 8.895 10.986 3.053 376 HG2 LYS 50 2HG LYS 50 10.371 11.116 1.357 377 HG3 LYS 50 3HG LYS 50 9.931 12.778 0.958 378 HD2 LYS 50 2HD LYS 50 11.977 13.215 1.824 379 HD3 LYS 50 3HD LYS 50 11.088 13.178 3.349 380 HE2 LYS 50 2HE LYS 50 12.314 11.464 4.048 381 HE3 LYS 50 3HE LYS 50 11.822 10.514 2.647 382 HZ1 LYS 50 1HZ LYS 50 13.971 12.520 2.417 383 HZ2 LYS 50 2HZ LYS 50 13.678 11.162 1.454 384 HZ3 LYS 50 3HZ LYS 50 14.304 10.973 3.014 385 H VAL 51 H VAL 51 8.059 13.707 -0.094 386 HA VAL 51 HA VAL 51 7.459 11.443 -1.874 387 HB VAL 51 HB VAL 51 7.527 14.386 -2.556 388 HG11 VAL 51 1HG1 VAL 51 6.670 13.803 -4.673 389 HG12 VAL 51 2HG1 VAL 51 8.002 12.684 -4.380 390 HG13 VAL 51 3HG1 VAL 51 6.335 12.146 -4.170 391 HG21 VAL 51 1HG2 VAL 51 5.112 12.616 -2.208 392 HG22 VAL 51 2HG2 VAL 51 5.708 13.725 -0.973 393 HG23 VAL 51 3HG2 VAL 51 5.135 14.352 -2.519 394 H LYS 52 H LYS 52 9.123 10.469 -2.799 395 HA LYS 52 HA LYS 52 11.601 12.007 -3.227 396 HB2 LYS 52 2HB LYS 52 11.777 10.166 -1.557 397 HB3 LYS 52 3HB LYS 52 11.337 9.023 -2.820 398 HG2 LYS 52 2HG LYS 52 13.379 10.081 -4.068 399 HG3 LYS 52 3HG LYS 52 13.865 10.546 -2.436 400 HD2 LYS 52 2HD LYS 52 14.422 8.445 -1.887 401 HD3 LYS 52 3HD LYS 52 12.978 7.770 -2.646 402 HE2 LYS 52 2HE LYS 52 14.096 7.217 -4.497 403 HE3 LYS 52 3HE LYS 52 14.870 8.798 -4.593 404 HZ1 LYS 52 1HZ LYS 52 16.185 7.711 -2.547 405 HZ2 LYS 52 2HZ LYS 52 16.706 7.607 -4.152 406 HZ3 LYS 52 3HZ LYS 52 15.857 6.321 -3.454 407 H CYS 53 H CYS 53 12.576 11.948 -5.203 408 HA CYS 53 HA CYS 53 11.143 10.483 -7.322 409 HB2 CYS 53 2HB CYS 53 12.435 13.197 -7.302 410 HB3 CYS 53 3HB CYS 53 12.207 12.322 -8.813 411 H ASP 54 H ASP 54 12.298 9.300 -8.786 412 HA ASP 54 HA ASP 54 15.219 9.354 -8.649 413 HB2 ASP 54 2HB ASP 54 14.911 7.583 -7.169 414 HB3 ASP 54 3HB ASP 54 13.469 7.008 -8.001 415 H PHE 55 H PHE 55 16.264 8.577 -10.508 416 HA PHE 55 HA PHE 55 14.896 9.016 -12.931 417 HB2 PHE 55 2HB PHE 55 17.610 8.047 -12.168 418 HB3 PHE 55 3HB PHE 55 17.073 7.768 -13.821 419 HD1 PHE 55 HD1 PHE 55 18.975 9.200 -14.531 420 HD2 PHE 55 HD2 PHE 55 15.770 10.693 -12.162 421 HE1 PHE 55 HE1 PHE 55 19.613 11.501 -15.124 422 HE2 PHE 55 HE2 PHE 55 16.402 12.996 -12.752 423 HZ PHE 55 HZ PHE 55 18.325 13.403 -14.235 424 H ARG 56 H ARG 56 13.460 7.733 -13.865 425 HA ARG 56 HA ARG 56 13.994 4.984 -14.388 426 HB2 ARG 56 2HB ARG 56 12.313 5.702 -12.073 427 HB3 ARG 56 3HB ARG 56 11.615 4.509 -13.159 428 HG2 ARG 56 2HG ARG 56 14.103 3.511 -12.889 429 HG3 ARG 56 3HG ARG 56 13.896 4.290 -11.319 430 HD2 ARG 56 2HD ARG 56 11.555 3.077 -11.417 431 HD3 ARG 56 3HD ARG 56 12.414 2.008 -12.526 432 HE ARG 56 HE ARG 56 13.849 2.455 -10.092 433 HH11 ARG 56 1HH1 ARG 56 11.307 0.595 -11.575 434 HH12 ARG 56 2HH1 ARG 56 11.464 -0.738 -10.479 435 HH21 ARG 56 1HH2 ARG 56 14.065 0.707 -8.643 436 HH22 ARG 56 2HH2 ARG 56 13.033 -0.673 -8.811 437 H HIS 57 H HIS 57 12.561 4.087 -15.901 438 HA HIS 57 HA HIS 57 11.107 4.097 -17.651 439 HB2 HIS 57 2HB HIS 57 9.719 5.363 -15.500 440 HB3 HIS 57 3HB HIS 57 9.307 6.200 -16.994 441 HD1 HIS 57 HD1 HIS 57 7.251 5.272 -17.976 442 HD2 HIS 57 HD2 HIS 57 9.508 2.335 -16.095 443 HE1 HIS 57 HE1 HIS 57 5.967 3.133 -18.292 Start of MODEL 13 1 H1 LEU 1 H LEU 1 4.610 -1.834 -4.909 2 HA LEU 1 HA LEU 1 2.876 -1.237 -2.602 3 HB2 LEU 1 2HB LEU 1 5.884 -1.294 -2.777 4 HB3 LEU 1 3HB LEU 1 4.974 -0.733 -1.375 5 HG LEU 1 HG LEU 1 4.959 -3.543 -2.477 6 HD11 LEU 1 1HD1 LEU 1 6.674 -4.012 -1.147 7 HD12 LEU 1 2HD1 LEU 1 5.922 -3.195 0.222 8 HD13 LEU 1 3HD1 LEU 1 6.889 -2.275 -0.930 9 HD21 LEU 1 1HD2 LEU 1 3.282 -2.129 -0.531 10 HD22 LEU 1 2HD2 LEU 1 3.948 -3.657 0.047 11 HD23 LEU 1 3HD2 LEU 1 2.978 -3.618 -1.426 12 H GLU 2 H GLU 2 3.128 0.923 -1.669 13 HA GLU 2 HA GLU 2 3.112 3.193 -1.816 14 HB2 GLU 2 2HB GLU 2 5.514 2.354 -3.209 15 HB3 GLU 2 3HB GLU 2 4.871 3.844 -3.884 16 HG2 GLU 2 2HG GLU 2 6.454 4.398 -2.190 17 HG3 GLU 2 3HG GLU 2 4.843 4.811 -1.605 18 H TYR 3 H TYR 3 2.754 5.058 -3.412 19 HA TYR 3 HA TYR 3 0.734 4.170 -5.316 20 HB2 TYR 3 2HB TYR 3 1.397 6.801 -4.031 21 HB3 TYR 3 3HB TYR 3 0.376 6.745 -5.463 22 HD1 TYR 3 HD1 TYR 3 0.486 6.430 -1.910 23 HD2 TYR 3 HD2 TYR 3 -1.723 5.274 -5.358 24 HE1 TYR 3 HE1 TYR 3 -1.463 5.943 -0.491 25 HE2 TYR 3 HE2 TYR 3 -3.678 4.786 -3.949 26 HH TYR 3 HH TYR 3 -4.568 5.009 -1.892 27 H LYS 4 H LYS 4 0.758 4.625 -7.493 28 HA LYS 4 HA LYS 4 3.372 5.040 -8.654 29 HB2 LYS 4 2HB LYS 4 0.670 4.480 -9.885 30 HB3 LYS 4 3HB LYS 4 2.153 4.652 -10.815 31 HG2 LYS 4 2HG LYS 4 1.583 2.554 -8.732 32 HG3 LYS 4 3HG LYS 4 1.639 2.317 -10.480 33 HD2 LYS 4 2HD LYS 4 4.064 3.432 -10.057 34 HD3 LYS 4 3HD LYS 4 3.832 2.583 -8.527 35 HE2 LYS 4 2HE LYS 4 3.439 1.267 -11.205 36 HE3 LYS 4 3HE LYS 4 4.992 1.290 -10.372 37 HZ1 LYS 4 1HZ LYS 4 2.631 0.349 -8.911 38 HZ2 LYS 4 2HZ LYS 4 4.250 -0.111 -8.749 39 HZ3 LYS 4 3HZ LYS 4 3.336 -0.682 -10.052 40 H GLY 5 H GLY 5 4.114 7.053 -8.855 41 HA2 GLY 5 2HA GLY 5 2.300 9.073 -10.002 42 HA3 GLY 5 3HA GLY 5 3.286 9.462 -8.601 43 H GLU 6 H GLU 6 3.341 10.822 -11.105 44 HA GLU 6 HA GLU 6 5.995 10.066 -12.130 45 HB2 GLU 6 2HB GLU 6 4.080 11.924 -13.520 46 HB3 GLU 6 3HB GLU 6 5.438 11.041 -14.203 47 HG2 GLU 6 2HG GLU 6 3.887 9.623 -14.941 48 HG3 GLU 6 3HG GLU 6 3.883 9.010 -13.289 49 H CYS 7 H CYS 7 7.326 11.950 -12.902 50 HA CYS 7 HA CYS 7 7.013 14.247 -11.082 51 HB2 CYS 7 2HB CYS 7 9.127 14.038 -10.333 52 HB3 CYS 7 3HB CYS 7 9.034 12.395 -10.958 53 H PHE 8 H PHE 8 8.187 16.216 -11.835 54 HA PHE 8 HA PHE 8 7.834 16.502 -14.736 55 HB2 PHE 8 2HB PHE 8 7.720 18.472 -12.461 56 HB3 PHE 8 3HB PHE 8 7.867 19.001 -14.134 57 HD1 PHE 8 HD1 PHE 8 5.801 16.582 -12.176 58 HD2 PHE 8 HD2 PHE 8 5.918 19.618 -15.157 59 HE1 PHE 8 HE1 PHE 8 3.360 16.416 -12.437 60 HE2 PHE 8 HE2 PHE 8 3.478 19.457 -15.422 61 HZ PHE 8 HZ PHE 8 2.195 17.855 -14.061 62 H THR 9 H THR 9 9.286 18.381 -15.620 63 HA THR 9 HA THR 9 11.874 17.501 -15.823 64 HB THR 9 HB THR 9 11.915 20.365 -16.019 65 HG1 THR 9 HG1 THR 9 10.154 20.358 -17.683 66 HG21 THR 9 1HG2 THR 9 12.890 19.884 -17.989 67 HG22 THR 9 2HG2 THR 9 11.586 18.802 -18.478 68 HG23 THR 9 3HG2 THR 9 12.865 18.217 -17.414 69 H LYS 10 H LYS 10 13.764 19.251 -15.277 70 HA LYS 10 HA LYS 10 14.403 18.861 -12.604 71 HB2 LYS 10 2HB LYS 10 15.640 19.994 -14.852 72 HB3 LYS 10 3HB LYS 10 15.660 21.256 -13.628 73 HG2 LYS 10 2HG LYS 10 17.454 20.290 -12.765 74 HG3 LYS 10 3HG LYS 10 16.431 18.932 -12.292 75 HD2 LYS 10 2HD LYS 10 17.731 17.681 -13.611 76 HD3 LYS 10 3HD LYS 10 16.919 18.465 -14.968 77 HE2 LYS 10 2HE LYS 10 18.672 20.264 -14.835 78 HE3 LYS 10 3HE LYS 10 19.525 19.247 -13.675 79 HZ1 LYS 10 1HZ LYS 10 20.193 19.089 -16.114 80 HZ2 LYS 10 2HZ LYS 10 18.759 18.221 -16.337 81 HZ3 LYS 10 3HZ LYS 10 19.945 17.638 -15.281 82 H ASP 11 H ASP 11 11.979 20.750 -13.714 83 HA ASP 11 HA ASP 11 12.236 23.105 -12.164 84 HB2 ASP 11 2HB ASP 11 10.247 21.897 -13.894 85 HB3 ASP 11 3HB ASP 11 9.499 22.634 -12.480 86 H ASN 12 H ASN 12 11.901 19.974 -11.181 87 HA ASN 12 HA ASN 12 11.430 18.988 -9.186 88 HB2 ASN 12 2HB ASN 12 12.361 21.545 -8.543 89 HB3 ASN 12 3HB ASN 12 10.897 21.348 -7.585 90 HD21 ASN 12 1HD2 ASN 12 13.155 18.849 -8.606 91 HD22 ASN 12 2HD2 ASN 12 13.663 18.404 -7.015 92 H THR 13 H THR 13 9.475 18.089 -9.766 93 HA THR 13 HA THR 13 7.180 19.040 -8.360 94 HB THR 13 HB THR 13 6.304 18.804 -11.112 95 HG1 THR 13 HG1 THR 13 8.484 19.833 -11.292 96 HG21 THR 13 1HG2 THR 13 4.747 19.766 -9.722 97 HG22 THR 13 2HG2 THR 13 5.486 21.213 -10.409 98 HG23 THR 13 3HG2 THR 13 5.959 20.657 -8.803 99 H CYS 14 H CYS 14 5.512 17.506 -8.258 100 HA CYS 14 HA CYS 14 5.844 15.019 -9.747 101 HB2 CYS 14 2HB CYS 14 6.219 15.334 -6.810 102 HB3 CYS 14 3HB CYS 14 5.367 13.900 -7.372 103 H LYS 15 H LYS 15 3.961 13.868 -10.033 104 HA LYS 15 HA LYS 15 1.528 14.962 -8.794 105 HB2 LYS 15 2HB LYS 15 1.559 15.885 -11.002 106 HB3 LYS 15 3HB LYS 15 1.986 14.333 -11.710 107 HG2 LYS 15 2HG LYS 15 -0.330 14.814 -12.142 108 HG3 LYS 15 3HG LYS 15 -0.209 13.447 -11.032 109 HD2 LYS 15 2HD LYS 15 -1.690 14.574 -9.782 110 HD3 LYS 15 3HD LYS 15 -0.316 15.580 -9.319 111 HE2 LYS 15 2HE LYS 15 -1.802 17.184 -10.008 112 HE3 LYS 15 3HE LYS 15 -0.933 16.881 -11.511 113 HZ1 LYS 15 1HZ LYS 15 -3.015 16.663 -12.303 114 HZ2 LYS 15 2HZ LYS 15 -3.681 16.260 -10.801 115 HZ3 LYS 15 3HZ LYS 15 -2.873 15.085 -11.711 116 H TYR 16 H TYR 16 0.747 13.386 -7.558 117 HA TYR 16 HA TYR 16 0.829 10.626 -8.586 118 HB2 TYR 16 2HB TYR 16 0.820 9.853 -6.299 119 HB3 TYR 16 3HB TYR 16 2.111 11.034 -6.488 120 HD1 TYR 16 HD1 TYR 16 1.632 13.438 -5.733 121 HD2 TYR 16 HD2 TYR 16 -0.792 10.120 -4.627 122 HE1 TYR 16 HE1 TYR 16 0.729 14.733 -3.847 123 HE2 TYR 16 HE2 TYR 16 -1.702 11.406 -2.739 124 HH TYR 16 HH TYR 16 -1.886 13.489 -1.848 125 H LYS 17 H LYS 17 -0.996 9.265 -8.148 126 HA LYS 17 HA LYS 17 -3.507 10.778 -7.834 127 HB2 LYS 17 2HB LYS 17 -3.322 9.959 -10.093 128 HB3 LYS 17 3HB LYS 17 -2.912 8.346 -9.524 129 HG2 LYS 17 2HG LYS 17 -5.151 8.129 -8.553 130 HG3 LYS 17 3HG LYS 17 -5.559 9.735 -9.160 131 HD2 LYS 17 2HD LYS 17 -4.639 7.491 -10.944 132 HD3 LYS 17 3HD LYS 17 -6.339 7.785 -10.569 133 HE2 LYS 17 2HE LYS 17 -4.737 10.091 -11.518 134 HE3 LYS 17 3HE LYS 17 -5.122 8.839 -12.698 135 HZ1 LYS 17 1HZ LYS 17 -7.503 9.133 -11.710 136 HZ2 LYS 17 2HZ LYS 17 -6.931 10.197 -12.893 137 HZ3 LYS 17 3HZ LYS 17 -6.923 10.659 -11.266 138 H ILE 18 H ILE 18 -5.003 10.058 -6.405 139 HA ILE 18 HA ILE 18 -4.433 7.531 -5.002 140 HB ILE 18 HB ILE 18 -5.500 10.040 -3.705 141 HG12 ILE 18 2HG1 ILE 18 -3.109 10.219 -4.385 142 HG13 ILE 18 3HG1 ILE 18 -3.339 10.266 -2.641 143 HG21 ILE 18 1HG2 ILE 18 -6.346 8.212 -2.512 144 HG22 ILE 18 2HG2 ILE 18 -4.852 7.293 -2.689 145 HG23 ILE 18 3HG2 ILE 18 -4.905 8.692 -1.616 146 HD11 ILE 18 1HD1 ILE 18 -2.712 7.891 -2.525 147 HD12 ILE 18 2HD1 ILE 18 -2.407 7.911 -4.263 148 HD13 ILE 18 3HD1 ILE 18 -1.432 8.909 -3.184 149 H ASP 19 H ASP 19 -6.211 6.344 -4.275 150 HA ASP 19 HA ASP 19 -8.439 6.223 -5.884 151 HB2 ASP 19 2HB ASP 19 -8.241 5.391 -2.981 152 HB3 ASP 19 3HB ASP 19 -9.477 4.852 -4.114 153 H GLY 20 H GLY 20 -10.052 7.596 -6.209 154 HA2 GLY 20 2HA GLY 20 -12.021 8.687 -5.329 155 HA3 GLY 20 3HA GLY 20 -11.088 9.112 -3.902 156 H LYS 21 H LYS 21 -9.246 10.623 -4.263 157 HA LYS 21 HA LYS 21 -9.814 12.500 -6.461 158 HB2 LYS 21 2HB LYS 21 -9.385 13.060 -3.539 159 HB3 LYS 21 3HB LYS 21 -9.034 14.284 -4.752 160 HG2 LYS 21 2HG LYS 21 -11.701 12.936 -4.385 161 HG3 LYS 21 3HG LYS 21 -11.270 14.529 -3.759 162 HD2 LYS 21 2HD LYS 21 -11.328 13.716 -6.666 163 HD3 LYS 21 3HD LYS 21 -12.527 14.716 -5.843 164 HE2 LYS 21 2HE LYS 21 -9.629 15.376 -6.344 165 HE3 LYS 21 3HE LYS 21 -11.039 16.148 -7.068 166 HZ1 LYS 21 1HZ LYS 21 -10.099 16.322 -4.269 167 HZ2 LYS 21 2HZ LYS 21 -11.668 16.767 -4.713 168 HZ3 LYS 21 3HZ LYS 21 -10.340 17.580 -5.374 169 H THR 22 H THR 22 -8.040 13.661 -7.285 170 HA THR 22 HA THR 22 -5.458 12.365 -6.770 171 HB THR 22 HB THR 22 -6.355 14.051 -9.115 172 HG1 THR 22 HG1 THR 22 -7.243 12.049 -9.333 173 HG21 THR 22 1HG2 THR 22 -4.227 13.392 -10.150 174 HG22 THR 22 2HG2 THR 22 -3.750 12.592 -8.652 175 HG23 THR 22 3HG2 THR 22 -3.968 14.342 -8.687 176 H TYR 23 H TYR 23 -3.650 13.503 -6.198 177 HA TYR 23 HA TYR 23 -3.930 16.404 -5.821 178 HB2 TYR 23 2HB TYR 23 -2.473 14.755 -3.785 179 HB3 TYR 23 3HB TYR 23 -3.186 16.356 -3.615 180 HD1 TYR 23 HD1 TYR 23 -5.413 16.625 -2.861 181 HD2 TYR 23 HD2 TYR 23 -3.979 12.749 -3.875 182 HE1 TYR 23 HE1 TYR 23 -7.428 15.626 -1.867 183 HE2 TYR 23 HE2 TYR 23 -5.992 11.739 -2.884 184 HH TYR 23 HH TYR 23 -8.355 13.680 -1.144 185 H LEU 24 H LEU 24 -1.747 17.424 -5.335 186 HA LEU 24 HA LEU 24 0.238 16.233 -7.142 187 HB2 LEU 24 2HB LEU 24 -0.707 18.926 -6.653 188 HB3 LEU 24 3HB LEU 24 1.049 18.821 -6.539 189 HG LEU 24 HG LEU 24 -0.173 17.557 -8.913 190 HD11 LEU 24 1HD1 LEU 24 -0.562 19.599 -10.079 191 HD12 LEU 24 2HD1 LEU 24 0.008 20.556 -8.713 192 HD13 LEU 24 3HD1 LEU 24 -1.499 19.649 -8.586 193 HD21 LEU 24 1HD2 LEU 24 1.910 17.757 -9.663 194 HD22 LEU 24 2HD2 LEU 24 2.361 18.336 -8.059 195 HD23 LEU 24 3HD2 LEU 24 1.933 19.488 -9.325 196 H ALA 25 H ALA 25 2.440 16.170 -6.566 197 HA ALA 25 HA ALA 25 2.994 16.511 -3.693 198 HB1 ALA 25 1HB ALA 25 3.476 14.151 -5.442 199 HB2 ALA 25 2HB ALA 25 4.629 14.504 -4.155 200 HB3 ALA 25 3HB ALA 25 2.932 14.224 -3.765 201 H LYS 26 H LYS 26 5.143 17.055 -3.138 202 HA LYS 26 HA LYS 26 6.667 18.235 -5.364 203 HB2 LYS 26 2HB LYS 26 5.984 19.963 -3.885 204 HB3 LYS 26 3HB LYS 26 6.420 19.022 -2.465 205 HG2 LYS 26 2HG LYS 26 8.007 20.830 -2.895 206 HG3 LYS 26 3HG LYS 26 8.771 19.242 -3.002 207 HD2 LYS 26 2HD LYS 26 9.398 19.626 -5.103 208 HD3 LYS 26 3HD LYS 26 7.746 20.033 -5.571 209 HE2 LYS 26 2HE LYS 26 9.074 21.939 -6.043 210 HE3 LYS 26 3HE LYS 26 8.150 22.316 -4.590 211 HZ1 LYS 26 1HZ LYS 26 10.896 22.434 -4.916 212 HZ2 LYS 26 2HZ LYS 26 10.612 21.121 -3.888 213 HZ3 LYS 26 3HZ LYS 26 10.023 22.654 -3.484 214 H CYS 27 H CYS 27 8.841 17.844 -5.567 215 HA CYS 27 HA CYS 27 9.923 15.726 -3.828 216 HB2 CYS 27 2HB CYS 27 10.227 16.293 -6.754 217 HB3 CYS 27 3HB CYS 27 11.516 15.453 -5.898 218 HA PRO 28 HA PRO 28 13.241 18.283 -2.527 219 HB2 PRO 28 2HB PRO 28 15.334 16.554 -2.500 220 HB3 PRO 28 3HB PRO 28 14.021 16.492 -1.318 221 HG2 PRO 28 2HG PRO 28 14.432 14.841 -3.781 222 HG3 PRO 28 3HG PRO 28 13.905 14.330 -2.167 223 HD2 PRO 28 2HD PRO 28 12.173 14.704 -4.214 224 HD3 PRO 28 3HD PRO 28 11.733 15.013 -2.522 225 H SER 29 H SER 29 15.229 19.304 -3.151 226 HA SER 29 HA SER 29 15.519 19.470 -6.032 227 HB2 SER 29 2HB SER 29 17.303 21.258 -5.198 228 HB3 SER 29 3HB SER 29 15.576 21.614 -5.198 229 HG SER 29 HG SER 29 17.174 21.724 -3.155 230 H ALA 30 H ALA 30 16.720 17.432 -3.834 231 HA ALA 30 HA ALA 30 19.464 17.394 -4.021 232 HB1 ALA 30 1HB ALA 30 18.877 14.731 -4.098 233 HB2 ALA 30 2HB ALA 30 18.904 15.723 -2.640 234 HB3 ALA 30 3HB ALA 30 17.378 15.419 -3.470 235 H ALA 31 H ALA 31 20.953 16.816 -5.511 236 HA ALA 31 HA ALA 31 20.287 16.796 -8.238 237 HB1 ALA 31 1HB ALA 31 22.485 17.020 -8.532 238 HB2 ALA 31 2HB ALA 31 22.610 17.035 -6.772 239 HB3 ALA 31 3HB ALA 31 22.836 15.528 -7.659 240 H ASN 32 H ASN 32 20.879 14.186 -5.950 241 HA ASN 32 HA ASN 32 20.745 12.148 -7.995 242 HB2 ASN 32 2HB ASN 32 22.029 12.168 -5.666 243 HB3 ASN 32 3HB ASN 32 20.512 11.478 -5.098 244 HD21 ASN 32 1HD2 ASN 32 23.490 10.763 -6.277 245 HD22 ASN 32 2HD2 ASN 32 23.189 9.170 -6.876 246 H THR 33 H THR 33 18.527 13.927 -6.179 247 HA THR 33 HA THR 33 16.430 11.906 -6.637 248 HB THR 33 HB THR 33 16.079 14.132 -4.662 249 HG1 THR 33 HG1 THR 33 17.220 11.611 -3.998 250 HG21 THR 33 1HG2 THR 33 14.143 12.770 -5.252 251 HG22 THR 33 2HG2 THR 33 14.617 12.476 -3.579 252 HG23 THR 33 3HG2 THR 33 15.028 11.305 -4.832 253 H LYS 34 H LYS 34 17.573 14.258 -8.266 254 HA LYS 34 HA LYS 34 15.156 15.874 -8.577 255 HB2 LYS 34 2HB LYS 34 18.016 16.214 -9.221 256 HB3 LYS 34 3HB LYS 34 16.899 16.871 -10.410 257 HG2 LYS 34 2HG LYS 34 16.066 17.608 -7.765 258 HG3 LYS 34 3HG LYS 34 17.754 18.054 -8.025 259 HD2 LYS 34 2HD LYS 34 15.962 18.658 -10.272 260 HD3 LYS 34 3HD LYS 34 15.617 19.554 -8.791 261 HE2 LYS 34 2HE LYS 34 18.307 19.787 -8.897 262 HE3 LYS 34 3HE LYS 34 17.925 19.715 -10.616 263 HZ1 LYS 34 1HZ LYS 34 17.863 21.973 -10.019 264 HZ2 LYS 34 2HZ LYS 34 16.957 21.678 -8.622 265 HZ3 LYS 34 3HZ LYS 34 16.242 21.504 -10.145 266 H CYS 35 H CYS 35 14.772 16.499 -11.008 267 HA CYS 35 HA CYS 35 14.702 13.989 -12.553 268 HB2 CYS 35 2HB CYS 35 12.685 16.242 -12.487 269 HB3 CYS 35 3HB CYS 35 12.616 14.872 -13.590 270 H GLU 36 H GLU 36 15.782 14.008 -14.405 271 HA GLU 36 HA GLU 36 16.804 16.528 -15.437 272 HB2 GLU 36 2HB GLU 36 18.187 15.130 -16.901 273 HB3 GLU 36 3HB GLU 36 18.350 14.650 -15.218 274 HG2 GLU 36 2HG GLU 36 17.017 12.722 -15.542 275 HG3 GLU 36 3HG GLU 36 16.501 13.267 -17.138 276 H LYS 37 H LYS 37 14.286 14.304 -16.076 277 HA LYS 37 HA LYS 37 13.612 15.779 -18.520 278 HB2 LYS 37 2HB LYS 37 14.640 13.690 -19.252 279 HB3 LYS 37 3HB LYS 37 13.547 12.770 -18.226 280 HG2 LYS 37 2HG LYS 37 11.998 14.443 -19.931 281 HG3 LYS 37 3HG LYS 37 13.182 13.569 -20.907 282 HD2 LYS 37 2HD LYS 37 12.435 11.479 -19.666 283 HD3 LYS 37 3HD LYS 37 11.080 12.443 -19.071 284 HE2 LYS 37 2HE LYS 37 10.585 12.982 -21.498 285 HE3 LYS 37 3HE LYS 37 11.745 11.722 -21.916 286 HZ1 LYS 37 1HZ LYS 37 9.103 11.338 -21.457 287 HZ2 LYS 37 2HZ LYS 37 9.795 10.876 -19.985 288 HZ3 LYS 37 3HZ LYS 37 10.287 10.130 -21.421 289 H ASP 38 H ASP 38 11.489 16.264 -18.742 290 HA ASP 38 HA ASP 38 9.789 16.034 -16.491 291 HB2 ASP 38 2HB ASP 38 9.770 17.836 -18.313 292 HB3 ASP 38 3HB ASP 38 8.859 16.682 -19.284 293 H GLY 39 H GLY 39 8.142 14.662 -16.021 294 HA2 GLY 39 2HA GLY 39 6.506 13.026 -16.484 295 HA3 GLY 39 3HA GLY 39 7.288 12.713 -18.026 296 H ASN 40 H ASN 40 9.664 12.865 -15.735 297 HA ASN 40 HA ASN 40 10.378 10.178 -15.928 298 HB2 ASN 40 2HB ASN 40 11.310 12.524 -14.497 299 HB3 ASN 40 3HB ASN 40 11.473 11.071 -13.516 300 HD21 ASN 40 1HD2 ASN 40 13.777 11.790 -13.848 301 HD22 ASN 40 2HD2 ASN 40 14.610 11.118 -15.204 302 H LYS 41 H LYS 41 10.830 8.948 -13.684 303 HA LYS 41 HA LYS 41 8.216 8.202 -12.745 304 HB2 LYS 41 2HB LYS 41 10.846 7.035 -12.805 305 HB3 LYS 41 3HB LYS 41 10.183 6.923 -11.180 306 HG2 LYS 41 2HG LYS 41 8.371 6.166 -13.381 307 HG3 LYS 41 3HG LYS 41 9.746 5.097 -13.088 308 HD2 LYS 41 2HD LYS 41 8.682 4.202 -11.355 309 HD3 LYS 41 3HD LYS 41 8.611 5.784 -10.575 310 HE2 LYS 41 2HE LYS 41 6.625 5.970 -12.446 311 HE3 LYS 41 3HE LYS 41 6.530 4.274 -11.977 312 HZ1 LYS 41 1HZ LYS 41 5.377 6.315 -10.647 313 HZ2 LYS 41 2HZ LYS 41 6.797 6.090 -9.757 314 HZ3 LYS 41 3HZ LYS 41 5.724 4.801 -9.977 315 H CYS 42 H CYS 42 7.507 8.215 -10.569 316 HA CYS 42 HA CYS 42 9.016 9.782 -8.638 317 HB2 CYS 42 2HB CYS 42 7.570 11.359 -10.027 318 HB3 CYS 42 3HB CYS 42 6.179 10.575 -9.286 319 H THR 43 H THR 43 8.122 9.661 -6.474 320 HA THR 43 HA THR 43 6.105 7.582 -6.052 321 HB THR 43 HB THR 43 8.009 7.106 -4.051 322 HG1 THR 43 HG1 THR 43 9.816 7.677 -5.013 323 HG21 THR 43 1HG2 THR 43 7.849 5.379 -6.482 324 HG22 THR 43 2HG2 THR 43 6.410 5.597 -5.486 325 HG23 THR 43 3HG2 THR 43 7.879 4.923 -4.780 326 H TYR 44 H TYR 44 4.897 7.832 -4.211 327 HA TYR 44 HA TYR 44 5.624 10.032 -2.403 328 HB2 TYR 44 2HB TYR 44 4.001 11.126 -3.643 329 HB3 TYR 44 3HB TYR 44 3.087 9.653 -3.943 330 HD1 TYR 44 HD1 TYR 44 1.075 9.418 -2.843 331 HD2 TYR 44 HD2 TYR 44 4.119 11.790 -1.051 332 HE1 TYR 44 HE1 TYR 44 -0.461 9.994 -1.011 333 HE2 TYR 44 HE2 TYR 44 2.592 12.372 0.787 334 HH TYR 44 HH TYR 44 0.002 10.783 1.600 335 H ASP 45 H ASP 45 5.755 9.308 -0.396 336 HA ASP 45 HA ASP 45 4.327 6.865 0.348 337 HB2 ASP 45 2HB ASP 45 6.790 7.064 0.764 338 HB3 ASP 45 3HB ASP 45 6.444 8.356 1.910 339 H SER 46 H SER 46 2.416 7.071 1.289 340 HA SER 46 HA SER 46 1.604 9.553 2.511 341 HB2 SER 46 2HB SER 46 -0.500 8.814 2.160 342 HB3 SER 46 3HB SER 46 0.257 7.536 1.210 343 HG SER 46 HG SER 46 -1.122 7.337 3.501 344 H TYR 47 H TYR 47 3.397 7.017 3.582 345 HA TYR 47 HA TYR 47 2.272 6.725 6.217 346 HB2 TYR 47 2HB TYR 47 3.441 4.845 5.220 347 HB3 TYR 47 3HB TYR 47 4.906 5.805 5.049 348 HD1 TYR 47 HD1 TYR 47 2.601 4.338 7.563 349 HD2 TYR 47 HD2 TYR 47 6.475 5.921 6.795 350 HE1 TYR 47 HE1 TYR 47 3.340 3.592 9.787 351 HE2 TYR 47 HE2 TYR 47 7.225 5.178 9.016 352 HH TYR 47 HH TYR 47 6.458 3.289 10.682 353 H ASN 48 H ASN 48 5.132 8.300 4.821 354 HA ASN 48 HA ASN 48 5.485 9.750 7.359 355 HB2 ASN 48 2HB ASN 48 7.816 10.096 6.692 356 HB3 ASN 48 3HB ASN 48 7.422 8.379 6.702 357 HD21 ASN 48 1HD2 ASN 48 9.541 8.751 5.371 358 HD22 ASN 48 2HD2 ASN 48 9.305 8.813 3.661 359 H ARG 49 H ARG 49 4.155 10.120 4.403 360 HA ARG 49 HA ARG 49 3.460 11.912 3.186 361 HB2 ARG 49 2HB ARG 49 4.507 13.702 5.370 362 HB3 ARG 49 3HB ARG 49 3.166 13.992 4.271 363 HG2 ARG 49 2HG ARG 49 2.074 11.958 5.417 364 HG3 ARG 49 3HG ARG 49 3.276 12.228 6.681 365 HD2 ARG 49 2HD ARG 49 1.573 14.480 5.685 366 HD3 ARG 49 3HD ARG 49 0.949 13.348 6.884 367 HE ARG 49 HE ARG 49 3.445 14.255 7.754 368 HH11 ARG 49 1HH1 ARG 49 0.236 15.481 7.192 369 HH12 ARG 49 2HH1 ARG 49 0.353 16.714 8.403 370 HH21 ARG 49 1HH2 ARG 49 3.612 15.874 9.352 371 HH22 ARG 49 2HH2 ARG 49 2.275 16.937 9.631 372 H LYS 50 H LYS 50 6.199 10.885 2.971 373 HA LYS 50 HA LYS 50 7.587 13.303 2.024 374 HB2 LYS 50 2HB LYS 50 8.899 12.164 3.679 375 HB3 LYS 50 3HB LYS 50 8.658 10.614 2.884 376 HG2 LYS 50 2HG LYS 50 10.292 10.979 1.383 377 HG3 LYS 50 3HG LYS 50 9.920 12.698 1.235 378 HD2 LYS 50 2HD LYS 50 11.310 11.460 3.608 379 HD3 LYS 50 3HD LYS 50 12.147 12.217 2.251 380 HE2 LYS 50 2HE LYS 50 10.283 14.110 2.984 381 HE3 LYS 50 3HE LYS 50 10.790 13.428 4.528 382 HZ1 LYS 50 1HZ LYS 50 12.464 14.748 2.477 383 HZ2 LYS 50 2HZ LYS 50 13.136 13.788 3.696 384 HZ3 LYS 50 3HZ LYS 50 12.262 15.178 4.100 385 H VAL 51 H VAL 51 8.299 13.435 -0.064 386 HA VAL 51 HA VAL 51 7.452 11.257 -1.861 387 HB VAL 51 HB VAL 51 7.759 14.182 -2.551 388 HG11 VAL 51 1HG1 VAL 51 6.922 13.669 -4.677 389 HG12 VAL 51 2HG1 VAL 51 8.092 12.389 -4.346 390 HG13 VAL 51 3HG1 VAL 51 6.365 12.074 -4.171 391 HG21 VAL 51 1HG2 VAL 51 5.709 12.963 -1.104 392 HG22 VAL 51 2HG2 VAL 51 5.670 14.549 -1.874 393 HG23 VAL 51 3HG2 VAL 51 5.080 13.132 -2.743 394 H LYS 52 H LYS 52 8.997 10.216 -2.924 395 HA LYS 52 HA LYS 52 11.638 11.499 -3.171 396 HB2 LYS 52 2HB LYS 52 11.754 9.579 -1.710 397 HB3 LYS 52 3HB LYS 52 10.919 8.578 -2.891 398 HG2 LYS 52 2HG LYS 52 12.781 8.593 -4.355 399 HG3 LYS 52 3HG LYS 52 13.585 9.859 -3.424 400 HD2 LYS 52 2HD LYS 52 13.922 8.365 -1.574 401 HD3 LYS 52 3HD LYS 52 12.947 7.114 -2.349 402 HE2 LYS 52 2HE LYS 52 14.919 6.321 -3.066 403 HE3 LYS 52 3HE LYS 52 14.814 7.609 -4.265 404 HZ1 LYS 52 1HZ LYS 52 16.503 7.410 -1.895 405 HZ2 LYS 52 2HZ LYS 52 15.923 8.949 -2.291 406 HZ3 LYS 52 3HZ LYS 52 16.842 8.077 -3.413 407 H CYS 53 H CYS 53 12.496 11.738 -5.147 408 HA CYS 53 HA CYS 53 11.104 10.451 -7.405 409 HB2 CYS 53 2HB CYS 53 12.292 13.202 -7.126 410 HB3 CYS 53 3HB CYS 53 12.043 12.474 -8.709 411 H ASP 54 H ASP 54 12.327 9.610 -9.081 412 HA ASP 54 HA ASP 54 15.245 9.638 -8.763 413 HB2 ASP 54 2HB ASP 54 15.029 7.124 -9.546 414 HB3 ASP 54 3HB ASP 54 14.913 7.554 -7.842 415 H PHE 55 H PHE 55 16.427 9.368 -10.671 416 HA PHE 55 HA PHE 55 15.444 10.521 -12.966 417 HB2 PHE 55 2HB PHE 55 17.440 9.848 -14.049 418 HB3 PHE 55 3HB PHE 55 17.870 10.036 -12.352 419 HD1 PHE 55 HD1 PHE 55 16.534 7.398 -11.471 420 HD2 PHE 55 HD2 PHE 55 19.245 8.389 -14.599 421 HE1 PHE 55 HE1 PHE 55 17.407 5.098 -11.438 422 HE2 PHE 55 HE2 PHE 55 20.121 6.090 -14.572 423 HZ PHE 55 HZ PHE 55 19.202 4.441 -12.991 424 H ARG 56 H ARG 56 15.397 9.409 -15.184 425 HA ARG 56 HA ARG 56 14.534 6.702 -15.338 426 HB2 ARG 56 2HB ARG 56 12.549 8.538 -14.578 427 HB3 ARG 56 3HB ARG 56 12.259 8.210 -16.281 428 HG2 ARG 56 2HG ARG 56 12.536 6.101 -14.150 429 HG3 ARG 56 3HG ARG 56 11.005 6.719 -14.772 430 HD2 ARG 56 2HD ARG 56 11.939 6.048 -17.084 431 HD3 ARG 56 3HD ARG 56 13.083 5.070 -16.165 432 HE ARG 56 HE ARG 56 10.335 4.647 -15.428 433 HH11 ARG 56 1HH1 ARG 56 12.900 3.723 -17.593 434 HH12 ARG 56 2HH1 ARG 56 12.225 2.164 -17.936 435 HH21 ARG 56 1HH2 ARG 56 9.437 2.598 -15.871 436 HH22 ARG 56 2HH2 ARG 56 10.255 1.526 -16.956 437 H HIS 57 H HIS 57 14.225 5.997 -17.486 438 HA HIS 57 HA HIS 57 14.555 5.979 -19.738 439 HB2 HIS 57 2HB HIS 57 12.889 7.977 -19.476 440 HB3 HIS 57 3HB HIS 57 14.299 8.966 -19.846 441 HD1 HIS 57 HD1 HIS 57 14.870 9.240 -22.258 442 HD2 HIS 57 HD2 HIS 57 12.241 6.089 -21.609 443 HE1 HIS 57 HE1 HIS 57 14.182 8.456 -24.547 Start of MODEL 14 1 H1 LEU 1 H LEU 1 1.977 0.363 1.256 2 HA LEU 1 HA LEU 1 2.621 -0.400 -0.831 3 HB2 LEU 1 2HB LEU 1 -0.298 -0.003 -1.390 4 HB3 LEU 1 3HB LEU 1 0.848 -0.308 -2.694 5 HG LEU 1 HG LEU 1 0.760 -2.204 -0.396 6 HD11 LEU 1 1HD1 LEU 1 -1.546 -2.103 -0.801 7 HD12 LEU 1 2HD1 LEU 1 -0.982 -3.484 -1.740 8 HD13 LEU 1 3HD1 LEU 1 -1.322 -1.952 -2.544 9 HD21 LEU 1 1HD2 LEU 1 1.548 -2.210 -3.267 10 HD22 LEU 1 2HD2 LEU 1 1.028 -3.724 -2.528 11 HD23 LEU 1 3HD2 LEU 1 2.402 -2.842 -1.859 12 H GLU 2 H GLU 2 3.965 0.927 -1.838 13 HA GLU 2 HA GLU 2 3.795 3.690 -1.855 14 HB2 GLU 2 2HB GLU 2 5.349 1.726 -3.500 15 HB3 GLU 2 3HB GLU 2 5.428 3.440 -3.880 16 HG2 GLU 2 2HG GLU 2 6.910 3.763 -2.277 17 HG3 GLU 2 3HG GLU 2 5.802 3.101 -1.076 18 H TYR 3 H TYR 3 3.039 5.218 -3.255 19 HA TYR 3 HA TYR 3 1.056 4.315 -5.180 20 HB2 TYR 3 2HB TYR 3 1.718 6.964 -3.929 21 HB3 TYR 3 3HB TYR 3 0.685 6.880 -5.352 22 HD1 TYR 3 HD1 TYR 3 0.734 6.859 -1.840 23 HD2 TYR 3 HD2 TYR 3 -1.315 5.167 -5.162 24 HE1 TYR 3 HE1 TYR 3 -1.201 6.387 -0.398 25 HE2 TYR 3 HE2 TYR 3 -3.257 4.691 -3.730 26 HH TYR 3 HH TYR 3 -3.270 4.440 -0.675 27 H LYS 4 H LYS 4 1.122 4.669 -7.359 28 HA LYS 4 HA LYS 4 3.735 5.145 -8.500 29 HB2 LYS 4 2HB LYS 4 1.079 4.469 -9.775 30 HB3 LYS 4 3HB LYS 4 2.595 4.611 -10.654 31 HG2 LYS 4 2HG LYS 4 1.945 2.605 -8.506 32 HG3 LYS 4 3HG LYS 4 2.108 2.292 -10.235 33 HD2 LYS 4 2HD LYS 4 4.490 3.458 -9.723 34 HD3 LYS 4 3HD LYS 4 4.178 2.678 -8.171 35 HE2 LYS 4 2HE LYS 4 3.819 1.150 -10.716 36 HE3 LYS 4 3HE LYS 4 5.435 1.383 -10.050 37 HZ1 LYS 4 1HZ LYS 4 5.041 -0.307 -8.698 38 HZ2 LYS 4 2HZ LYS 4 3.451 -0.453 -9.256 39 HZ3 LYS 4 3HZ LYS 4 3.800 0.573 -7.956 40 H GLY 5 H GLY 5 4.400 7.179 -8.756 41 HA2 GLY 5 2HA GLY 5 2.528 9.084 -10.001 42 HA3 GLY 5 3HA GLY 5 3.469 9.560 -8.595 43 H GLU 6 H GLU 6 3.528 10.851 -11.127 44 HA GLU 6 HA GLU 6 6.221 10.160 -12.092 45 HB2 GLU 6 2HB GLU 6 4.246 11.912 -13.540 46 HB3 GLU 6 3HB GLU 6 5.668 11.107 -14.190 47 HG2 GLU 6 2HG GLU 6 4.235 9.578 -14.936 48 HG3 GLU 6 3HG GLU 6 4.204 9.000 -13.271 49 H CYS 7 H CYS 7 7.471 12.098 -12.927 50 HA CYS 7 HA CYS 7 7.098 14.387 -11.108 51 HB2 CYS 7 2HB CYS 7 9.286 14.362 -10.497 52 HB3 CYS 7 3HB CYS 7 9.165 12.661 -10.933 53 H PHE 8 H PHE 8 8.352 16.363 -11.914 54 HA PHE 8 HA PHE 8 7.840 16.647 -14.798 55 HB2 PHE 8 2HB PHE 8 7.679 18.603 -12.517 56 HB3 PHE 8 3HB PHE 8 7.802 19.152 -14.185 57 HD1 PHE 8 HD1 PHE 8 5.826 19.736 -15.170 58 HD2 PHE 8 HD2 PHE 8 5.832 16.621 -12.269 59 HE1 PHE 8 HE1 PHE 8 3.391 19.494 -15.429 60 HE2 PHE 8 HE2 PHE 8 3.398 16.374 -12.524 61 HZ PHE 8 HZ PHE 8 2.174 17.810 -14.106 62 H THR 9 H THR 9 9.193 18.602 -15.700 63 HA THR 9 HA THR 9 11.806 17.823 -15.979 64 HB THR 9 HB THR 9 11.732 20.688 -16.142 65 HG1 THR 9 HG1 THR 9 9.933 20.615 -17.773 66 HG21 THR 9 1HG2 THR 9 11.406 19.158 -18.617 67 HG22 THR 9 2HG2 THR 9 12.718 18.582 -17.589 68 HG23 THR 9 3HG2 THR 9 12.691 20.261 -18.128 69 H LYS 10 H LYS 10 13.634 19.656 -15.463 70 HA LYS 10 HA LYS 10 14.386 19.251 -12.827 71 HB2 LYS 10 2HB LYS 10 15.477 20.504 -15.079 72 HB3 LYS 10 3HB LYS 10 15.443 21.752 -13.840 73 HG2 LYS 10 2HG LYS 10 17.420 20.889 -13.247 74 HG3 LYS 10 3HG LYS 10 16.442 19.666 -12.433 75 HD2 LYS 10 2HD LYS 10 17.440 18.124 -13.689 76 HD3 LYS 10 3HD LYS 10 16.643 18.827 -15.099 77 HE2 LYS 10 2HE LYS 10 18.523 19.858 -15.810 78 HE3 LYS 10 3HE LYS 10 19.068 20.222 -14.173 79 HZ1 LYS 10 1HZ LYS 10 19.146 17.434 -14.615 80 HZ2 LYS 10 2HZ LYS 10 20.416 18.484 -14.235 81 HZ3 LYS 10 3HZ LYS 10 19.992 18.220 -15.851 82 H ASP 11 H ASP 11 11.832 21.056 -13.831 83 HA ASP 11 HA ASP 11 12.006 23.350 -12.176 84 HB2 ASP 11 2HB ASP 11 9.855 21.981 -13.715 85 HB3 ASP 11 3HB ASP 11 9.361 23.108 -12.454 86 H ASN 12 H ASN 12 11.838 20.173 -11.330 87 HA ASN 12 HA ASN 12 11.380 19.056 -9.403 88 HB2 ASN 12 2HB ASN 12 11.877 21.836 -8.556 89 HB3 ASN 12 3HB ASN 12 10.978 20.860 -7.398 90 HD21 ASN 12 1HD2 ASN 12 12.065 18.402 -7.706 91 HD22 ASN 12 2HD2 ASN 12 13.735 18.427 -7.265 92 H THR 13 H THR 13 9.417 18.163 -9.914 93 HA THR 13 HA THR 13 7.158 19.076 -8.424 94 HB THR 13 HB THR 13 6.244 18.878 -11.179 95 HG1 THR 13 HG1 THR 13 8.374 19.982 -11.357 96 HG21 THR 13 1HG2 THR 13 4.646 20.232 -10.381 97 HG22 THR 13 2HG2 THR 13 5.822 21.389 -9.759 98 HG23 THR 13 3HG2 THR 13 5.384 19.976 -8.801 99 H CYS 14 H CYS 14 5.489 17.537 -8.316 100 HA CYS 14 HA CYS 14 5.773 15.081 -9.857 101 HB2 CYS 14 2HB CYS 14 6.262 15.316 -6.921 102 HB3 CYS 14 3HB CYS 14 5.448 13.874 -7.519 103 H LYS 15 H LYS 15 3.880 13.951 -10.101 104 HA LYS 15 HA LYS 15 1.517 14.945 -8.663 105 HB2 LYS 15 2HB LYS 15 1.414 16.043 -10.785 106 HB3 LYS 15 3HB LYS 15 1.812 14.560 -11.642 107 HG2 LYS 15 2HG LYS 15 -0.528 15.046 -11.906 108 HG3 LYS 15 3HG LYS 15 -0.336 13.596 -10.918 109 HD2 LYS 15 2HD LYS 15 -1.749 14.599 -9.498 110 HD3 LYS 15 3HD LYS 15 -0.361 15.588 -9.037 111 HE2 LYS 15 2HE LYS 15 -2.054 17.137 -9.497 112 HE3 LYS 15 3HE LYS 15 -1.056 17.134 -10.950 113 HZ1 LYS 15 1HZ LYS 15 -3.360 17.074 -11.559 114 HZ2 LYS 15 2HZ LYS 15 -3.642 15.723 -10.581 115 HZ3 LYS 15 3HZ LYS 15 -2.662 15.584 -11.953 116 H TYR 16 H TYR 16 0.812 13.269 -7.518 117 HA TYR 16 HA TYR 16 0.909 10.589 -8.729 118 HB2 TYR 16 2HB TYR 16 0.805 9.708 -6.446 119 HB3 TYR 16 3HB TYR 16 2.165 10.810 -6.629 120 HD1 TYR 16 HD1 TYR 16 1.945 13.162 -5.733 121 HD2 TYR 16 HD2 TYR 16 -0.862 10.097 -4.826 122 HE1 TYR 16 HE1 TYR 16 1.152 14.468 -3.805 123 HE2 TYR 16 HE2 TYR 16 -1.664 11.395 -2.896 124 HH TYR 16 HH TYR 16 -1.474 13.270 -1.731 125 H LYS 17 H LYS 17 -0.886 9.118 -8.098 126 HA LYS 17 HA LYS 17 -3.433 10.567 -7.798 127 HB2 LYS 17 2HB LYS 17 -3.108 9.882 -10.142 128 HB3 LYS 17 3HB LYS 17 -2.899 8.215 -9.623 129 HG2 LYS 17 2HG LYS 17 -5.188 8.178 -8.785 130 HG3 LYS 17 3HG LYS 17 -5.400 9.858 -9.283 131 HD2 LYS 17 2HD LYS 17 -5.634 9.317 -11.464 132 HD3 LYS 17 3HD LYS 17 -4.438 8.021 -11.377 133 HE2 LYS 17 2HE LYS 17 -6.535 6.997 -11.812 134 HE3 LYS 17 3HE LYS 17 -6.148 6.671 -10.124 135 HZ1 LYS 17 1HZ LYS 17 -8.117 7.519 -9.623 136 HZ2 LYS 17 2HZ LYS 17 -8.383 8.035 -11.211 137 HZ3 LYS 17 3HZ LYS 17 -7.560 9.036 -10.124 138 H ILE 18 H ILE 18 -4.880 9.718 -6.400 139 HA ILE 18 HA ILE 18 -4.307 7.059 -5.274 140 HB ILE 18 HB ILE 18 -5.139 9.496 -3.695 141 HG12 ILE 18 2HG1 ILE 18 -2.540 7.968 -3.874 142 HG13 ILE 18 3HG1 ILE 18 -2.813 9.672 -4.222 143 HG21 ILE 18 1HG2 ILE 18 -4.937 8.050 -1.735 144 HG22 ILE 18 2HG2 ILE 18 -6.161 7.449 -2.851 145 HG23 ILE 18 3HG2 ILE 18 -4.578 6.677 -2.782 146 HD11 ILE 18 1HD1 ILE 18 -3.326 10.030 -1.833 147 HD12 ILE 18 2HD1 ILE 18 -2.911 8.342 -1.528 148 HD13 ILE 18 3HD1 ILE 18 -1.683 9.459 -2.123 149 H ASP 19 H ASP 19 -6.083 5.844 -4.623 150 HA ASP 19 HA ASP 19 -8.394 5.980 -6.098 151 HB2 ASP 19 2HB ASP 19 -7.690 4.000 -4.805 152 HB3 ASP 19 3HB ASP 19 -8.119 4.832 -3.312 153 H GLY 20 H GLY 20 -9.966 7.434 -6.184 154 HA2 GLY 20 2HA GLY 20 -11.858 8.437 -5.012 155 HA3 GLY 20 3HA GLY 20 -10.768 8.770 -3.675 156 H LYS 21 H LYS 21 -9.031 10.337 -4.061 157 HA LYS 21 HA LYS 21 -9.736 12.300 -6.140 158 HB2 LYS 21 2HB LYS 21 -9.156 12.743 -3.223 159 HB3 LYS 21 3HB LYS 21 -8.903 14.024 -4.401 160 HG2 LYS 21 2HG LYS 21 -11.514 12.600 -3.932 161 HG3 LYS 21 3HG LYS 21 -11.080 14.179 -3.273 162 HD2 LYS 21 2HD LYS 21 -11.300 13.470 -6.199 163 HD3 LYS 21 3HD LYS 21 -12.463 14.416 -5.268 164 HE2 LYS 21 2HE LYS 21 -10.236 15.819 -4.757 165 HE3 LYS 21 3HE LYS 21 -9.812 15.173 -6.342 166 HZ1 LYS 21 1HZ LYS 21 -11.451 17.343 -5.775 167 HZ2 LYS 21 2HZ LYS 21 -12.459 16.135 -6.395 168 HZ3 LYS 21 3HZ LYS 21 -11.124 16.663 -7.289 169 H THR 22 H THR 22 -8.018 13.544 -6.980 170 HA THR 22 HA THR 22 -5.402 12.251 -6.679 171 HB THR 22 HB THR 22 -6.428 14.078 -8.860 172 HG1 THR 22 HG1 THR 22 -6.937 12.279 -9.866 173 HG21 THR 22 1HG2 THR 22 -3.800 12.604 -8.637 174 HG22 THR 22 2HG2 THR 22 -4.020 14.350 -8.529 175 HG23 THR 22 3HG2 THR 22 -4.356 13.511 -10.043 176 H TYR 23 H TYR 23 -3.575 13.370 -6.129 177 HA TYR 23 HA TYR 23 -3.848 16.240 -5.566 178 HB2 TYR 23 2HB TYR 23 -2.280 14.539 -3.675 179 HB3 TYR 23 3HB TYR 23 -3.089 16.076 -3.389 180 HD1 TYR 23 HD1 TYR 23 -5.319 16.154 -2.586 181 HD2 TYR 23 HD2 TYR 23 -3.640 12.443 -3.817 182 HE1 TYR 23 HE1 TYR 23 -7.234 14.968 -1.599 183 HE2 TYR 23 HE2 TYR 23 -5.551 11.247 -2.834 184 HH TYR 23 HH TYR 23 -7.786 12.749 -0.749 185 H LEU 24 H LEU 24 -1.642 17.228 -5.089 186 HA LEU 24 HA LEU 24 0.309 16.089 -6.976 187 HB2 LEU 24 2HB LEU 24 -0.676 18.325 -7.505 188 HB3 LEU 24 3HB LEU 24 0.091 18.946 -6.044 189 HG LEU 24 HG LEU 24 2.280 18.055 -7.175 190 HD11 LEU 24 1HD1 LEU 24 0.514 18.518 -9.573 191 HD12 LEU 24 2HD1 LEU 24 1.103 16.947 -9.032 192 HD13 LEU 24 3HD1 LEU 24 2.243 18.172 -9.588 193 HD21 LEU 24 1HD2 LEU 24 1.722 20.390 -8.675 194 HD22 LEU 24 2HD2 LEU 24 2.643 20.242 -7.178 195 HD23 LEU 24 3HD2 LEU 24 0.906 20.545 -7.119 196 H ALA 25 H ALA 25 2.525 16.119 -6.448 197 HA ALA 25 HA ALA 25 3.140 16.578 -3.606 198 HB1 ALA 25 1HB ALA 25 3.118 14.295 -3.548 199 HB2 ALA 25 2HB ALA 25 3.583 14.136 -5.242 200 HB3 ALA 25 3HB ALA 25 4.792 14.566 -4.033 201 H LYS 26 H LYS 26 5.307 17.150 -3.134 202 HA LYS 26 HA LYS 26 6.734 18.286 -5.444 203 HB2 LYS 26 2HB LYS 26 6.137 20.033 -3.960 204 HB3 LYS 26 3HB LYS 26 6.610 19.099 -2.546 205 HG2 LYS 26 2HG LYS 26 8.206 20.875 -3.025 206 HG3 LYS 26 3HG LYS 26 8.948 19.281 -3.184 207 HD2 LYS 26 2HD LYS 26 9.489 19.685 -5.304 208 HD3 LYS 26 3HD LYS 26 7.823 20.114 -5.696 209 HE2 LYS 26 2HE LYS 26 9.494 22.087 -4.221 210 HE3 LYS 26 3HE LYS 26 9.792 21.855 -5.943 211 HZ1 LYS 26 1HZ LYS 26 8.072 23.607 -5.128 212 HZ2 LYS 26 2HZ LYS 26 7.037 22.274 -5.018 213 HZ3 LYS 26 3HZ LYS 26 7.745 22.674 -6.502 214 H CYS 27 H CYS 27 8.903 17.905 -5.741 215 HA CYS 27 HA CYS 27 10.064 15.791 -4.050 216 HB2 CYS 27 2HB CYS 27 10.253 16.365 -6.986 217 HB3 CYS 27 3HB CYS 27 11.565 15.511 -6.181 218 HA PRO 28 HA PRO 28 13.387 18.400 -2.865 219 HB2 PRO 28 2HB PRO 28 15.459 16.648 -2.781 220 HB3 PRO 28 3HB PRO 28 14.157 16.653 -1.586 221 HG2 PRO 28 2HG PRO 28 14.526 14.892 -3.979 222 HG3 PRO 28 3HG PRO 28 14.008 14.458 -2.339 223 HD2 PRO 28 2HD PRO 28 12.261 14.764 -4.386 224 HD3 PRO 28 3HD PRO 28 11.840 15.151 -2.705 225 H SER 29 H SER 29 15.360 19.387 -3.557 226 HA SER 29 HA SER 29 15.634 19.414 -6.443 227 HB2 SER 29 2HB SER 29 17.117 21.351 -6.054 228 HB3 SER 29 3HB SER 29 15.564 21.547 -5.243 229 HG SER 29 HG SER 29 18.084 21.332 -4.184 230 H ALA 30 H ALA 30 16.826 17.452 -4.184 231 HA ALA 30 HA ALA 30 19.594 17.417 -4.482 232 HB1 ALA 30 1HB ALA 30 18.824 14.744 -4.239 233 HB2 ALA 30 2HB ALA 30 19.260 15.854 -2.940 234 HB3 ALA 30 3HB ALA 30 17.571 15.670 -3.412 235 H ALA 31 H ALA 31 20.934 16.827 -6.070 236 HA ALA 31 HA ALA 31 20.082 16.400 -8.684 237 HB1 ALA 31 1HB ALA 31 22.236 17.106 -8.688 238 HB2 ALA 31 2HB ALA 31 22.661 16.175 -7.251 239 HB3 ALA 31 3HB ALA 31 22.543 15.374 -8.818 240 H ASN 32 H ASN 32 20.412 14.178 -6.069 241 HA ASN 32 HA ASN 32 20.517 11.827 -7.749 242 HB2 ASN 32 2HB ASN 32 20.535 12.369 -4.818 243 HB3 ASN 32 3HB ASN 32 19.987 10.783 -5.353 244 HD21 ASN 32 1HD2 ASN 32 22.539 13.013 -6.408 245 HD22 ASN 32 2HD2 ASN 32 23.819 11.856 -6.324 246 H THR 33 H THR 33 18.114 13.778 -6.197 247 HA THR 33 HA THR 33 16.040 11.839 -6.993 248 HB THR 33 HB THR 33 14.735 13.487 -5.257 249 HG1 THR 33 HG1 THR 33 16.290 13.475 -3.403 250 HG21 THR 33 1HG2 THR 33 15.660 10.793 -5.330 251 HG22 THR 33 2HG2 THR 33 14.286 11.461 -4.449 252 HG23 THR 33 3HG2 THR 33 15.879 11.414 -3.694 253 H LYS 34 H LYS 34 17.401 14.206 -8.388 254 HA LYS 34 HA LYS 34 15.161 16.012 -8.806 255 HB2 LYS 34 2HB LYS 34 18.047 15.991 -9.514 256 HB3 LYS 34 3HB LYS 34 16.968 16.873 -10.587 257 HG2 LYS 34 2HG LYS 34 16.578 17.424 -7.733 258 HG3 LYS 34 3HG LYS 34 18.146 17.913 -8.381 259 HD2 LYS 34 2HD LYS 34 15.893 18.606 -10.110 260 HD3 LYS 34 3HD LYS 34 15.833 19.380 -8.525 261 HE2 LYS 34 2HE LYS 34 17.024 20.747 -10.184 262 HE3 LYS 34 3HE LYS 34 18.065 20.270 -8.844 263 HZ1 LYS 34 1HZ LYS 34 18.064 18.485 -11.131 264 HZ2 LYS 34 2HZ LYS 34 19.353 19.022 -10.176 265 HZ3 LYS 34 3HZ LYS 34 18.742 20.011 -11.404 266 H CYS 35 H CYS 35 14.949 16.674 -11.275 267 HA CYS 35 HA CYS 35 14.724 14.205 -12.864 268 HB2 CYS 35 2HB CYS 35 12.682 16.426 -12.635 269 HB3 CYS 35 3HB CYS 35 12.594 15.102 -13.792 270 H GLU 36 H GLU 36 15.745 14.323 -14.745 271 HA GLU 36 HA GLU 36 16.708 16.898 -15.691 272 HB2 GLU 36 2HB GLU 36 18.342 15.159 -15.683 273 HB3 GLU 36 3HB GLU 36 17.266 14.055 -16.529 274 HG2 GLU 36 2HG GLU 36 18.960 14.859 -18.033 275 HG3 GLU 36 3HG GLU 36 17.386 15.488 -18.519 276 H LYS 37 H LYS 37 14.210 14.650 -16.377 277 HA LYS 37 HA LYS 37 13.335 16.309 -18.616 278 HB2 LYS 37 2HB LYS 37 14.660 14.102 -19.272 279 HB3 LYS 37 3HB LYS 37 13.097 13.357 -18.968 280 HG2 LYS 37 2HG LYS 37 12.054 14.725 -20.639 281 HG3 LYS 37 3HG LYS 37 13.538 15.653 -20.864 282 HD2 LYS 37 2HD LYS 37 14.460 14.082 -22.184 283 HD3 LYS 37 3HD LYS 37 13.853 12.754 -21.192 284 HE2 LYS 37 2HE LYS 37 11.932 12.559 -22.391 285 HE3 LYS 37 3HE LYS 37 11.860 14.281 -22.763 286 HZ1 LYS 37 1HZ LYS 37 12.908 13.964 -24.683 287 HZ2 LYS 37 2HZ LYS 37 12.621 12.310 -24.476 288 HZ3 LYS 37 3HZ LYS 37 14.096 12.979 -23.989 289 H ASP 38 H ASP 38 11.242 16.775 -18.449 290 HA ASP 38 HA ASP 38 9.648 16.021 -16.317 291 HB2 ASP 38 2HB ASP 38 9.282 17.969 -17.880 292 HB3 ASP 38 3HB ASP 38 8.595 16.827 -19.031 293 H GLY 39 H GLY 39 8.085 14.485 -15.965 294 HA2 GLY 39 2HA GLY 39 6.626 12.727 -16.607 295 HA3 GLY 39 3HA GLY 39 7.547 12.540 -18.092 296 H ASN 40 H ASN 40 9.788 12.855 -15.731 297 HA ASN 40 HA ASN 40 10.683 10.210 -15.882 298 HB2 ASN 40 2HB ASN 40 11.584 12.630 -14.732 299 HB3 ASN 40 3HB ASN 40 11.582 11.434 -13.439 300 HD21 ASN 40 1HD2 ASN 40 13.351 12.732 -15.896 301 HD22 ASN 40 2HD2 ASN 40 14.502 11.463 -16.119 302 H LYS 41 H LYS 41 11.211 9.075 -13.600 303 HA LYS 41 HA LYS 41 8.650 8.176 -12.650 304 HB2 LYS 41 2HB LYS 41 11.317 7.165 -12.717 305 HB3 LYS 41 3HB LYS 41 10.763 7.137 -11.048 306 HG2 LYS 41 2HG LYS 41 9.397 5.862 -13.409 307 HG3 LYS 41 3HG LYS 41 10.276 5.033 -12.123 308 HD2 LYS 41 2HD LYS 41 8.535 6.375 -10.618 309 HD3 LYS 41 3HD LYS 41 7.579 6.271 -12.098 310 HE2 LYS 41 2HE LYS 41 8.739 4.003 -10.491 311 HE3 LYS 41 3HE LYS 41 7.036 4.385 -10.736 312 HZ1 LYS 41 1HZ LYS 41 7.365 3.924 -13.121 313 HZ2 LYS 41 2HZ LYS 41 7.650 2.570 -12.148 314 HZ3 LYS 41 3HZ LYS 41 8.951 3.434 -12.796 315 H CYS 42 H CYS 42 7.913 8.217 -10.489 316 HA CYS 42 HA CYS 42 9.292 9.900 -8.569 317 HB2 CYS 42 2HB CYS 42 7.853 11.400 -10.051 318 HB3 CYS 42 3HB CYS 42 6.459 10.603 -9.329 319 H THR 43 H THR 43 8.337 9.805 -6.433 320 HA THR 43 HA THR 43 6.324 7.733 -6.011 321 HB THR 43 HB THR 43 8.227 7.250 -4.002 322 HG1 THR 43 HG1 THR 43 9.527 6.888 -6.476 323 HG21 THR 43 1HG2 THR 43 7.114 5.794 -6.347 324 HG22 THR 43 2HG2 THR 43 7.020 5.408 -4.629 325 HG23 THR 43 3HG2 THR 43 8.508 5.096 -5.523 326 H TYR 44 H TYR 44 5.196 7.917 -4.076 327 HA TYR 44 HA TYR 44 5.920 10.143 -2.308 328 HB2 TYR 44 2HB TYR 44 4.308 11.266 -3.528 329 HB3 TYR 44 3HB TYR 44 3.384 9.804 -3.855 330 HD1 TYR 44 HD1 TYR 44 1.276 9.870 -2.940 331 HD2 TYR 44 HD2 TYR 44 4.499 11.592 -0.760 332 HE1 TYR 44 HE1 TYR 44 -0.269 10.434 -1.111 333 HE2 TYR 44 HE2 TYR 44 2.963 12.159 1.075 334 HH TYR 44 HH TYR 44 -0.109 12.433 0.883 335 H ASP 45 H ASP 45 6.058 9.403 -0.308 336 HA ASP 45 HA ASP 45 4.589 6.985 0.439 337 HB2 ASP 45 2HB ASP 45 7.103 7.266 0.823 338 HB3 ASP 45 3HB ASP 45 6.670 8.397 2.103 339 H SER 46 H SER 46 2.725 7.173 1.471 340 HA SER 46 HA SER 46 1.926 9.681 2.652 341 HB2 SER 46 2HB SER 46 -0.214 8.880 2.547 342 HB3 SER 46 3HB SER 46 0.517 7.785 1.373 343 HG SER 46 HG SER 46 -0.671 6.603 2.877 344 H TYR 47 H TYR 47 3.394 6.791 3.721 345 HA TYR 47 HA TYR 47 2.459 6.774 6.404 346 HB2 TYR 47 2HB TYR 47 3.536 4.838 5.196 347 HB3 TYR 47 3HB TYR 47 5.080 5.659 5.395 348 HD1 TYR 47 HD1 TYR 47 6.186 5.725 7.531 349 HD2 TYR 47 HD2 TYR 47 2.349 3.928 7.145 350 HE1 TYR 47 HE1 TYR 47 6.445 4.709 9.756 351 HE2 TYR 47 HE2 TYR 47 2.596 2.908 9.369 352 HH TYR 47 HH TYR 47 3.810 2.986 11.306 353 H ASN 48 H ASN 48 5.322 8.136 4.826 354 HA ASN 48 HA ASN 48 5.983 9.522 7.336 355 HB2 ASN 48 2HB ASN 48 8.085 9.853 5.478 356 HB3 ASN 48 3HB ASN 48 8.084 8.868 6.938 357 HD21 ASN 48 1HD2 ASN 48 8.501 8.836 3.665 358 HD22 ASN 48 2HD2 ASN 48 8.288 7.147 3.371 359 H ARG 49 H ARG 49 4.358 10.039 4.561 360 HA ARG 49 HA ARG 49 3.682 11.876 3.403 361 HB2 ARG 49 2HB ARG 49 4.831 13.541 5.635 362 HB3 ARG 49 3HB ARG 49 3.467 13.916 4.590 363 HG2 ARG 49 2HG ARG 49 2.427 11.779 5.679 364 HG3 ARG 49 3HG ARG 49 3.607 12.107 6.949 365 HD2 ARG 49 2HD ARG 49 1.641 14.139 5.907 366 HD3 ARG 49 3HD ARG 49 1.353 13.128 7.322 367 HE ARG 49 HE ARG 49 3.809 14.468 7.616 368 HH11 ARG 49 1HH1 ARG 49 0.383 15.090 7.600 369 HH12 ARG 49 2HH1 ARG 49 0.495 16.459 8.655 370 HH21 ARG 49 1HH2 ARG 49 3.968 16.270 9.006 371 HH22 ARG 49 2HH2 ARG 49 2.534 17.130 9.454 372 H LYS 50 H LYS 50 6.425 10.843 3.069 373 HA LYS 50 HA LYS 50 7.783 13.292 2.159 374 HB2 LYS 50 2HB LYS 50 9.349 12.303 3.517 375 HB3 LYS 50 3HB LYS 50 8.761 10.677 3.194 376 HG2 LYS 50 2HG LYS 50 9.841 10.644 1.056 377 HG3 LYS 50 3HG LYS 50 10.296 12.343 1.212 378 HD2 LYS 50 2HD LYS 50 11.231 10.122 3.031 379 HD3 LYS 50 3HD LYS 50 12.165 10.799 1.695 380 HE2 LYS 50 2HE LYS 50 11.277 12.965 3.276 381 HE3 LYS 50 3HE LYS 50 11.913 11.745 4.379 382 HZ1 LYS 50 1HZ LYS 50 13.301 13.223 2.250 383 HZ2 LYS 50 2HZ LYS 50 13.864 11.692 2.697 384 HZ3 LYS 50 3HZ LYS 50 13.786 12.933 3.845 385 H VAL 51 H VAL 51 8.402 13.514 0.053 386 HA VAL 51 HA VAL 51 7.509 11.399 -1.797 387 HB VAL 51 HB VAL 51 7.701 14.365 -2.342 388 HG11 VAL 51 1HG1 VAL 51 6.467 12.214 -4.052 389 HG12 VAL 51 2HG1 VAL 51 6.728 13.909 -4.468 390 HG13 VAL 51 3HG1 VAL 51 8.106 12.824 -4.279 391 HG21 VAL 51 1HG2 VAL 51 5.166 12.768 -2.220 392 HG22 VAL 51 2HG2 VAL 51 5.857 13.492 -0.768 393 HG23 VAL 51 3HG2 VAL 51 5.384 14.516 -2.124 394 H LYS 52 H LYS 52 9.087 10.377 -2.820 395 HA LYS 52 HA LYS 52 11.637 11.789 -3.251 396 HB2 LYS 52 2HB LYS 52 11.859 9.907 -1.706 397 HB3 LYS 52 3HB LYS 52 11.135 8.829 -2.892 398 HG2 LYS 52 2HG LYS 52 13.082 9.513 -4.413 399 HG3 LYS 52 3HG LYS 52 13.830 10.133 -2.939 400 HD2 LYS 52 2HD LYS 52 12.801 7.503 -2.459 401 HD3 LYS 52 3HD LYS 52 13.820 7.483 -3.900 402 HE2 LYS 52 2HE LYS 52 15.702 8.147 -2.738 403 HE3 LYS 52 3HE LYS 52 14.766 8.893 -1.444 404 HZ1 LYS 52 1HZ LYS 52 14.930 7.034 -0.283 405 HZ2 LYS 52 2HZ LYS 52 15.871 6.337 -1.503 406 HZ3 LYS 52 3HZ LYS 52 14.190 6.145 -1.518 407 H CYS 53 H CYS 53 12.552 11.781 -5.257 408 HA CYS 53 HA CYS 53 10.969 10.532 -7.407 409 HB2 CYS 53 2HB CYS 53 12.381 13.169 -7.235 410 HB3 CYS 53 3HB CYS 53 12.182 12.394 -8.803 411 H ASP 54 H ASP 54 12.025 9.447 -9.043 412 HA ASP 54 HA ASP 54 14.942 9.213 -8.871 413 HB2 ASP 54 2HB ASP 54 14.478 6.667 -9.367 414 HB3 ASP 54 3HB ASP 54 14.478 7.272 -7.713 415 H PHE 55 H PHE 55 15.967 8.593 -10.803 416 HA PHE 55 HA PHE 55 14.772 9.546 -13.160 417 HB2 PHE 55 2HB PHE 55 17.103 7.639 -13.122 418 HB3 PHE 55 3HB PHE 55 16.772 8.938 -14.263 419 HD1 PHE 55 HD1 PHE 55 15.988 10.900 -11.932 420 HD2 PHE 55 HD2 PHE 55 19.361 8.432 -12.740 421 HE1 PHE 55 HE1 PHE 55 17.410 12.418 -10.617 422 HE2 PHE 55 HE2 PHE 55 20.788 9.946 -11.426 423 HZ PHE 55 HZ PHE 55 19.812 11.941 -10.361 424 H ARG 56 H ARG 56 14.848 8.103 -15.233 425 HA ARG 56 HA ARG 56 13.581 5.511 -14.658 426 HB2 ARG 56 2HB ARG 56 12.464 7.831 -16.052 427 HB3 ARG 56 3HB ARG 56 12.355 6.341 -16.979 428 HG2 ARG 56 2HG ARG 56 11.550 5.662 -14.393 429 HG3 ARG 56 3HG ARG 56 10.792 7.219 -14.735 430 HD2 ARG 56 2HD ARG 56 10.713 5.042 -16.780 431 HD3 ARG 56 3HD ARG 56 9.598 5.001 -15.415 432 HE ARG 56 HE ARG 56 9.486 7.546 -16.568 433 HH11 ARG 56 1HH1 ARG 56 8.672 4.249 -17.334 434 HH12 ARG 56 2HH1 ARG 56 7.366 4.679 -18.389 435 HH21 ARG 56 1HH2 ARG 56 7.770 8.125 -17.955 436 HH22 ARG 56 2HH2 ARG 56 6.855 6.884 -18.742 437 H HIS 57 H HIS 57 13.859 3.896 -16.232 438 HA HIS 57 HA HIS 57 15.060 2.688 -17.742 439 HB2 HIS 57 2HB HIS 57 14.001 3.929 -19.452 440 HB3 HIS 57 3HB HIS 57 14.941 5.376 -19.098 441 HD1 HIS 57 HD1 HIS 57 17.096 5.680 -20.352 442 HD2 HIS 57 HD2 HIS 57 15.506 1.869 -20.805 443 HE1 HIS 57 HE1 HIS 57 18.495 4.575 -22.125 Start of MODEL 15 1 H1 LEU 1 H LEU 1 2.201 -0.303 0.857 2 HA LEU 1 HA LEU 1 2.894 -0.759 -1.316 3 HB2 LEU 1 2HB LEU 1 0.038 -0.309 -2.157 4 HB3 LEU 1 3HB LEU 1 1.340 -0.984 -3.134 5 HG LEU 1 HG LEU 1 0.041 -2.287 -0.742 6 HD11 LEU 1 1HD1 LEU 1 -1.239 -3.484 -2.155 7 HD12 LEU 1 2HD1 LEU 1 0.003 -3.543 -3.405 8 HD13 LEU 1 3HD1 LEU 1 -0.993 -2.100 -3.221 9 HD21 LEU 1 1HD2 LEU 1 1.413 -4.230 -1.314 10 HD22 LEU 1 2HD2 LEU 1 2.410 -2.842 -0.877 11 HD23 LEU 1 3HD2 LEU 1 2.219 -3.292 -2.572 12 H GLU 2 H GLU 2 4.111 0.866 -1.997 13 HA GLU 2 HA GLU 2 3.578 3.563 -1.689 14 HB2 GLU 2 2HB GLU 2 5.539 1.954 -3.176 15 HB3 GLU 2 3HB GLU 2 5.264 3.557 -3.842 16 HG2 GLU 2 2HG GLU 2 6.124 2.900 -1.036 17 HG3 GLU 2 3HG GLU 2 7.114 3.613 -2.307 18 H TYR 3 H TYR 3 2.876 5.203 -3.061 19 HA TYR 3 HA TYR 3 0.902 4.375 -5.004 20 HB2 TYR 3 2HB TYR 3 1.684 7.006 -3.782 21 HB3 TYR 3 3HB TYR 3 0.621 6.950 -5.184 22 HD1 TYR 3 HD1 TYR 3 -1.373 5.163 -4.903 23 HD2 TYR 3 HD2 TYR 3 0.674 7.101 -1.716 24 HE1 TYR 3 HE1 TYR 3 -3.303 4.766 -3.430 25 HE2 TYR 3 HE2 TYR 3 -1.250 6.708 -0.234 26 HH TYR 3 HH TYR 3 -3.653 4.551 -0.872 27 H LYS 4 H LYS 4 0.957 4.690 -7.184 28 HA LYS 4 HA LYS 4 3.567 5.091 -8.364 29 HB2 LYS 4 2HB LYS 4 0.889 4.209 -9.377 30 HB3 LYS 4 3HB LYS 4 2.121 4.728 -10.520 31 HG2 LYS 4 2HG LYS 4 3.608 3.027 -9.163 32 HG3 LYS 4 3HG LYS 4 2.036 2.325 -8.776 33 HD2 LYS 4 2HD LYS 4 1.702 2.623 -11.400 34 HD3 LYS 4 3HD LYS 4 3.462 2.492 -11.374 35 HE2 LYS 4 2HE LYS 4 3.116 0.410 -9.943 36 HE3 LYS 4 3HE LYS 4 1.422 0.499 -10.424 37 HZ1 LYS 4 1HZ LYS 4 2.000 0.200 -12.679 38 HZ2 LYS 4 2HZ LYS 4 2.864 -0.972 -11.819 39 HZ3 LYS 4 3HZ LYS 4 3.650 0.418 -12.377 40 H GLY 5 H GLY 5 4.268 7.108 -8.655 41 HA2 GLY 5 2HA GLY 5 2.424 9.029 -9.919 42 HA3 GLY 5 3HA GLY 5 3.375 9.509 -8.521 43 H GLU 6 H GLU 6 3.454 10.765 -11.067 44 HA GLU 6 HA GLU 6 6.135 10.016 -12.025 45 HB2 GLU 6 2HB GLU 6 5.416 11.513 -14.020 46 HB3 GLU 6 3HB GLU 6 4.760 9.886 -13.892 47 HG2 GLU 6 2HG GLU 6 2.700 10.748 -12.975 48 HG3 GLU 6 3HG GLU 6 3.355 12.385 -12.977 49 H CYS 7 H CYS 7 7.418 11.915 -12.885 50 HA CYS 7 HA CYS 7 7.072 14.245 -11.113 51 HB2 CYS 7 2HB CYS 7 9.245 14.178 -10.470 52 HB3 CYS 7 3HB CYS 7 9.120 12.481 -10.923 53 H PHE 8 H PHE 8 8.326 16.195 -11.947 54 HA PHE 8 HA PHE 8 7.846 16.426 -14.841 55 HB2 PHE 8 2HB PHE 8 7.699 18.430 -12.599 56 HB3 PHE 8 3HB PHE 8 7.833 18.942 -14.278 57 HD1 PHE 8 HD1 PHE 8 5.830 16.474 -12.315 58 HD2 PHE 8 HD2 PHE 8 5.865 19.525 -15.283 59 HE1 PHE 8 HE1 PHE 8 3.393 16.247 -12.572 60 HE2 PHE 8 HE2 PHE 8 3.428 19.304 -15.544 61 HZ PHE 8 HZ PHE 8 2.189 17.664 -14.187 62 H THR 9 H THR 9 9.228 18.343 -15.775 63 HA THR 9 HA THR 9 11.834 17.527 -16.019 64 HB THR 9 HB THR 9 11.793 20.390 -16.246 65 HG1 THR 9 HG1 THR 9 9.946 20.728 -17.346 66 HG21 THR 9 1HG2 THR 9 12.770 18.244 -17.637 67 HG22 THR 9 2HG2 THR 9 12.760 19.909 -18.217 68 HG23 THR 9 3HG2 THR 9 11.469 18.804 -18.687 69 H LYS 10 H LYS 10 13.681 19.348 -15.531 70 HA LYS 10 HA LYS 10 14.408 18.995 -12.881 71 HB2 LYS 10 2HB LYS 10 15.438 20.382 -15.172 72 HB3 LYS 10 3HB LYS 10 15.612 21.404 -13.751 73 HG2 LYS 10 2HG LYS 10 16.414 18.608 -13.365 74 HG3 LYS 10 3HG LYS 10 17.391 19.517 -14.521 75 HD2 LYS 10 2HD LYS 10 16.755 20.884 -11.979 76 HD3 LYS 10 3HD LYS 10 17.854 19.506 -11.873 77 HE2 LYS 10 2HE LYS 10 18.385 21.434 -14.044 78 HE3 LYS 10 3HE LYS 10 18.653 22.022 -12.404 79 HZ1 LYS 10 1HZ LYS 10 20.539 20.893 -12.310 80 HZ2 LYS 10 2HZ LYS 10 20.340 20.434 -13.925 81 HZ3 LYS 10 3HZ LYS 10 19.757 19.440 -12.687 82 H ASP 11 H ASP 11 11.887 20.810 -13.947 83 HA ASP 11 HA ASP 11 12.078 23.142 -12.351 84 HB2 ASP 11 2HB ASP 11 10.044 21.837 -14.013 85 HB3 ASP 11 3HB ASP 11 9.378 22.719 -12.641 86 H ASN 12 H ASN 12 11.862 19.988 -11.424 87 HA ASN 12 HA ASN 12 11.391 18.931 -9.467 88 HB2 ASN 12 2HB ASN 12 11.870 21.740 -8.684 89 HB3 ASN 12 3HB ASN 12 10.998 20.766 -7.505 90 HD21 ASN 12 1HD2 ASN 12 12.124 18.324 -7.782 91 HD22 ASN 12 2HD2 ASN 12 13.798 18.384 -7.357 92 H THR 13 H THR 13 9.427 18.036 -9.969 93 HA THR 13 HA THR 13 7.164 18.997 -8.518 94 HB THR 13 HB THR 13 6.265 18.748 -11.274 95 HG1 THR 13 HG1 THR 13 8.402 19.829 -11.468 96 HG21 THR 13 1HG2 THR 13 4.685 19.642 -9.862 97 HG22 THR 13 2HG2 THR 13 5.372 21.116 -10.544 98 HG23 THR 13 3HG2 THR 13 5.872 20.567 -8.944 99 H CYS 14 H CYS 14 5.491 17.467 -8.379 100 HA CYS 14 HA CYS 14 5.772 14.978 -9.869 101 HB2 CYS 14 2HB CYS 14 6.236 15.280 -6.936 102 HB3 CYS 14 3HB CYS 14 5.407 13.833 -7.501 103 H LYS 15 H LYS 15 3.874 13.857 -10.114 104 HA LYS 15 HA LYS 15 1.501 14.894 -8.724 105 HB2 LYS 15 2HB LYS 15 1.366 15.960 -10.836 106 HB3 LYS 15 3HB LYS 15 1.874 14.508 -11.688 107 HG2 LYS 15 2HG LYS 15 -0.488 14.906 -12.020 108 HG3 LYS 15 3HG LYS 15 -0.239 13.424 -11.094 109 HD2 LYS 15 2HD LYS 15 -1.700 14.255 -9.624 110 HD3 LYS 15 3HD LYS 15 -0.428 15.385 -9.154 111 HE2 LYS 15 2HE LYS 15 -2.037 16.903 -9.650 112 HE3 LYS 15 3HE LYS 15 -1.387 16.692 -11.276 113 HZ1 LYS 15 1HZ LYS 15 -3.192 14.751 -11.228 114 HZ2 LYS 15 2HZ LYS 15 -3.543 16.322 -11.747 115 HZ3 LYS 15 3HZ LYS 15 -3.939 15.843 -10.174 116 H TYR 16 H TYR 16 0.751 13.249 -7.565 117 HA TYR 16 HA TYR 16 0.828 10.549 -8.737 118 HB2 TYR 16 2HB TYR 16 0.720 9.702 -6.431 119 HB3 TYR 16 3HB TYR 16 2.114 10.750 -6.666 120 HD1 TYR 16 HD1 TYR 16 -0.868 10.164 -4.760 121 HD2 TYR 16 HD2 TYR 16 1.968 13.146 -5.841 122 HE1 TYR 16 HE1 TYR 16 -1.579 11.528 -2.841 123 HE2 TYR 16 HE2 TYR 16 1.266 14.517 -3.924 124 HH TYR 16 HH TYR 16 0.098 14.499 -1.976 125 H LYS 17 H LYS 17 -0.974 9.102 -7.934 126 HA LYS 17 HA LYS 17 -3.499 10.591 -7.670 127 HB2 LYS 17 2HB LYS 17 -3.223 9.848 -10.003 128 HB3 LYS 17 3HB LYS 17 -3.027 8.191 -9.449 129 HG2 LYS 17 2HG LYS 17 -5.308 8.244 -8.538 130 HG3 LYS 17 3HG LYS 17 -5.499 9.887 -9.155 131 HD2 LYS 17 2HD LYS 17 -4.592 7.882 -11.117 132 HD3 LYS 17 3HD LYS 17 -6.235 7.666 -10.509 133 HE2 LYS 17 2HE LYS 17 -5.491 10.416 -11.273 134 HE3 LYS 17 3HE LYS 17 -5.594 9.253 -12.594 135 HZ1 LYS 17 1HZ LYS 17 -7.698 10.364 -10.939 136 HZ2 LYS 17 2HZ LYS 17 -7.834 8.708 -11.254 137 HZ3 LYS 17 3HZ LYS 17 -7.754 9.808 -12.536 138 H ILE 18 H ILE 18 -4.938 9.786 -6.235 139 HA ILE 18 HA ILE 18 -4.370 7.151 -5.052 140 HB ILE 18 HB ILE 18 -5.174 9.626 -3.518 141 HG12 ILE 18 2HG1 ILE 18 -2.573 8.097 -3.687 142 HG13 ILE 18 3HG1 ILE 18 -2.853 9.783 -4.108 143 HG21 ILE 18 1HG2 ILE 18 -4.926 8.223 -1.530 144 HG22 ILE 18 2HG2 ILE 18 -6.174 7.599 -2.608 145 HG23 ILE 18 3HG2 ILE 18 -4.588 6.829 -2.556 146 HD11 ILE 18 1HD1 ILE 18 -2.910 8.576 -1.355 147 HD12 ILE 18 2HD1 ILE 18 -1.699 9.674 -2.017 148 HD13 ILE 18 3HD1 ILE 18 -3.342 10.244 -1.728 149 H ASP 19 H ASP 19 -6.146 5.966 -4.348 150 HA ASP 19 HA ASP 19 -8.476 6.087 -5.797 151 HB2 ASP 19 2HB ASP 19 -9.470 4.743 -3.829 152 HB3 ASP 19 3HB ASP 19 -8.079 4.069 -4.674 153 H GLY 20 H GLY 20 -10.042 7.547 -5.888 154 HA2 GLY 20 2HA GLY 20 -11.908 8.590 -4.716 155 HA3 GLY 20 3HA GLY 20 -10.801 8.936 -3.396 156 H LYS 21 H LYS 21 -9.049 10.477 -3.834 157 HA LYS 21 HA LYS 21 -9.767 12.415 -5.933 158 HB2 LYS 21 2HB LYS 21 -9.136 12.896 -3.033 159 HB3 LYS 21 3HB LYS 21 -8.885 14.156 -4.234 160 HG2 LYS 21 2HG LYS 21 -11.506 12.772 -3.703 161 HG3 LYS 21 3HG LYS 21 -11.042 14.356 -3.078 162 HD2 LYS 21 2HD LYS 21 -11.320 13.601 -5.987 163 HD3 LYS 21 3HD LYS 21 -12.452 14.583 -5.054 164 HE2 LYS 21 2HE LYS 21 -10.201 15.963 -4.604 165 HE3 LYS 21 3HE LYS 21 -9.802 15.275 -6.178 166 HZ1 LYS 21 1HZ LYS 21 -10.897 17.069 -6.924 167 HZ2 LYS 21 2HZ LYS 21 -11.758 17.298 -5.486 168 HZ3 LYS 21 3HZ LYS 21 -12.284 16.150 -6.613 169 H THR 22 H THR 22 -8.050 13.628 -6.820 170 HA THR 22 HA THR 22 -5.445 12.307 -6.548 171 HB THR 22 HB THR 22 -6.467 14.139 -8.727 172 HG1 THR 22 HG1 THR 22 -7.435 12.163 -8.961 173 HG21 THR 22 1HG2 THR 22 -3.900 12.551 -8.584 174 HG22 THR 22 2HG2 THR 22 -4.028 14.301 -8.403 175 HG23 THR 22 3HG2 THR 22 -4.443 13.540 -9.939 176 H TYR 23 H TYR 23 -3.597 13.407 -6.035 177 HA TYR 23 HA TYR 23 -3.826 16.286 -5.496 178 HB2 TYR 23 2HB TYR 23 -2.248 14.569 -3.622 179 HB3 TYR 23 3HB TYR 23 -3.009 16.130 -3.334 180 HD1 TYR 23 HD1 TYR 23 -5.224 16.278 -2.494 181 HD2 TYR 23 HD2 TYR 23 -3.662 12.509 -3.704 182 HE1 TYR 23 HE1 TYR 23 -7.149 15.153 -1.454 183 HE2 TYR 23 HE2 TYR 23 -5.583 11.374 -2.668 184 HH TYR 23 HH TYR 23 -7.286 12.175 -0.582 185 H LEU 24 H LEU 24 -1.602 17.255 -5.075 186 HA LEU 24 HA LEU 24 0.301 16.077 -6.987 187 HB2 LEU 24 2HB LEU 24 -0.661 18.781 -6.520 188 HB3 LEU 24 3HB LEU 24 1.099 18.685 -6.541 189 HG LEU 24 HG LEU 24 -0.283 17.333 -8.769 190 HD11 LEU 24 1HD1 LEU 24 -1.474 19.600 -8.210 191 HD12 LEU 24 2HD1 LEU 24 -1.071 19.178 -9.873 192 HD13 LEU 24 3HD1 LEU 24 -0.044 20.294 -8.974 193 HD21 LEU 24 1HD2 LEU 24 2.290 18.284 -8.132 194 HD22 LEU 24 2HD2 LEU 24 1.710 19.253 -9.487 195 HD23 LEU 24 3HD2 LEU 24 1.760 17.495 -9.618 196 H ALA 25 H ALA 25 2.533 16.111 -6.506 197 HA ALA 25 HA ALA 25 3.197 16.565 -3.673 198 HB1 ALA 25 1HB ALA 25 3.219 14.294 -3.598 199 HB2 ALA 25 2HB ALA 25 3.580 14.127 -5.317 200 HB3 ALA 25 3HB ALA 25 4.861 14.560 -4.185 201 H LYS 26 H LYS 26 5.356 17.169 -3.235 202 HA LYS 26 HA LYS 26 6.774 18.255 -5.577 203 HB2 LYS 26 2HB LYS 26 6.105 20.058 -4.186 204 HB3 LYS 26 3HB LYS 26 6.597 19.212 -2.725 205 HG2 LYS 26 2HG LYS 26 8.138 21.017 -3.309 206 HG3 LYS 26 3HG LYS 26 8.928 19.439 -3.341 207 HD2 LYS 26 2HD LYS 26 9.490 19.703 -5.478 208 HD3 LYS 26 3HD LYS 26 7.818 20.056 -5.923 209 HE2 LYS 26 2HE LYS 26 9.389 21.885 -6.486 210 HE3 LYS 26 3HE LYS 26 8.113 22.381 -5.375 211 HZ1 LYS 26 1HZ LYS 26 10.698 21.475 -4.304 212 HZ2 LYS 26 2HZ LYS 26 9.574 22.544 -3.629 213 HZ3 LYS 26 3HZ LYS 26 10.556 23.048 -4.911 214 H CYS 27 H CYS 27 8.945 17.887 -5.833 215 HA CYS 27 HA CYS 27 10.137 15.923 -3.989 216 HB2 CYS 27 2HB CYS 27 10.455 16.306 -6.962 217 HB3 CYS 27 3HB CYS 27 11.600 15.362 -6.014 218 HA PRO 28 HA PRO 28 13.403 18.692 -3.030 219 HB2 PRO 28 2HB PRO 28 15.493 16.982 -2.749 220 HB3 PRO 28 3HB PRO 28 14.177 17.093 -1.574 221 HG2 PRO 28 2HG PRO 28 14.591 15.103 -3.772 222 HG3 PRO 28 3HG PRO 28 14.060 14.831 -2.102 223 HD2 PRO 28 2HD PRO 28 12.333 14.909 -4.187 224 HD3 PRO 28 3HD PRO 28 11.889 15.459 -2.558 225 H SER 29 H SER 29 15.390 19.614 -3.791 226 HA SER 29 HA SER 29 15.680 19.382 -6.664 227 HB2 SER 29 2HB SER 29 17.596 21.156 -5.414 228 HB3 SER 29 3HB SER 29 16.298 21.535 -6.545 229 HG SER 29 HG SER 29 15.940 22.589 -4.585 230 H ALA 30 H ALA 30 16.805 17.544 -4.313 231 HA ALA 30 HA ALA 30 19.543 17.429 -4.382 232 HB1 ALA 30 1HB ALA 30 17.393 15.567 -3.779 233 HB2 ALA 30 2HB ALA 30 18.840 14.766 -4.391 234 HB3 ALA 30 3HB ALA 30 18.943 15.808 -2.972 235 H ALA 31 H ALA 31 21.085 16.783 -5.779 236 HA ALA 31 HA ALA 31 20.627 16.696 -8.515 237 HB1 ALA 31 1HB ALA 31 22.954 15.404 -7.103 238 HB2 ALA 31 2HB ALA 31 22.907 16.012 -8.758 239 HB3 ALA 31 3HB ALA 31 22.814 17.137 -7.403 240 H ASN 32 H ASN 32 20.978 14.024 -6.213 241 HA ASN 32 HA ASN 32 20.595 12.038 -8.281 242 HB2 ASN 32 2HB ASN 32 21.931 11.955 -5.939 243 HB3 ASN 32 3HB ASN 32 20.397 11.258 -5.427 244 HD21 ASN 32 1HD2 ASN 32 22.697 11.020 -8.119 245 HD22 ASN 32 2HD2 ASN 32 22.634 9.297 -8.241 246 H THR 33 H THR 33 18.594 14.015 -6.484 247 HA THR 33 HA THR 33 16.335 12.139 -6.754 248 HB THR 33 HB THR 33 16.128 14.494 -4.936 249 HG1 THR 33 HG1 THR 33 17.277 12.062 -4.034 250 HG21 THR 33 1HG2 THR 33 14.710 12.972 -3.665 251 HG22 THR 33 2HG2 THR 33 15.132 11.648 -4.751 252 HG23 THR 33 3HG2 THR 33 14.202 13.020 -5.353 253 H LYS 34 H LYS 34 17.584 14.265 -8.580 254 HA LYS 34 HA LYS 34 15.271 16.030 -8.924 255 HB2 LYS 34 2HB LYS 34 18.133 16.138 -9.727 256 HB3 LYS 34 3HB LYS 34 16.969 16.918 -10.789 257 HG2 LYS 34 2HG LYS 34 16.580 17.580 -7.979 258 HG3 LYS 34 3HG LYS 34 18.161 18.055 -8.603 259 HD2 LYS 34 2HD LYS 34 16.457 18.818 -10.619 260 HD3 LYS 34 3HD LYS 34 15.514 19.152 -9.165 261 HE2 LYS 34 2HE LYS 34 17.679 20.276 -8.308 262 HE3 LYS 34 3HE LYS 34 18.163 20.276 -10.003 263 HZ1 LYS 34 1HZ LYS 34 16.394 22.026 -8.667 264 HZ2 LYS 34 2HZ LYS 34 15.570 21.246 -9.920 265 HZ3 LYS 34 3HZ LYS 34 16.983 22.117 -10.250 266 H CYS 35 H CYS 35 14.896 16.553 -11.383 267 HA CYS 35 HA CYS 35 14.757 13.998 -12.845 268 HB2 CYS 35 2HB CYS 35 12.666 16.173 -12.652 269 HB3 CYS 35 3HB CYS 35 12.596 14.846 -13.807 270 H GLU 36 H GLU 36 15.795 14.033 -14.717 271 HA GLU 36 HA GLU 36 16.628 16.578 -15.853 272 HB2 GLU 36 2HB GLU 36 18.035 15.214 -17.335 273 HB3 GLU 36 3HB GLU 36 18.297 14.814 -15.643 274 HG2 GLU 36 2HG GLU 36 17.507 12.721 -15.872 275 HG3 GLU 36 3HG GLU 36 16.273 13.197 -17.037 276 H LYS 37 H LYS 37 14.138 14.328 -16.262 277 HA LYS 37 HA LYS 37 13.317 15.649 -18.736 278 HB2 LYS 37 2HB LYS 37 14.450 13.612 -19.470 279 HB3 LYS 37 3HB LYS 37 13.444 12.647 -18.397 280 HG2 LYS 37 2HG LYS 37 11.696 14.147 -20.015 281 HG3 LYS 37 3HG LYS 37 12.938 13.480 -21.077 282 HD2 LYS 37 2HD LYS 37 12.484 11.254 -20.313 283 HD3 LYS 37 3HD LYS 37 11.396 11.854 -19.060 284 HE2 LYS 37 2HE LYS 37 9.923 11.165 -20.704 285 HE3 LYS 37 3HE LYS 37 10.086 12.887 -21.045 286 HZ1 LYS 37 1HZ LYS 37 11.032 12.477 -23.007 287 HZ2 LYS 37 2HZ LYS 37 10.431 10.905 -22.845 288 HZ3 LYS 37 3HZ LYS 37 12.026 11.251 -22.400 289 H ASP 38 H ASP 38 11.164 16.011 -18.863 290 HA ASP 38 HA ASP 38 9.574 15.694 -16.543 291 HB2 ASP 38 2HB ASP 38 9.386 17.471 -18.400 292 HB3 ASP 38 3HB ASP 38 8.465 16.258 -19.284 293 H GLY 39 H GLY 39 7.965 14.269 -16.037 294 HA2 GLY 39 2HA GLY 39 6.411 12.542 -16.462 295 HA3 GLY 39 3HA GLY 39 7.218 12.225 -17.991 296 H ASN 40 H ASN 40 9.623 12.548 -15.793 297 HA ASN 40 HA ASN 40 10.421 9.883 -15.867 298 HB2 ASN 40 2HB ASN 40 11.309 12.326 -14.581 299 HB3 ASN 40 3HB ASN 40 11.546 10.933 -13.531 300 HD21 ASN 40 1HD2 ASN 40 13.810 11.787 -14.007 301 HD22 ASN 40 2HD2 ASN 40 14.633 11.042 -15.331 302 H LYS 41 H LYS 41 10.974 8.771 -13.589 303 HA LYS 41 HA LYS 41 8.422 7.966 -12.548 304 HB2 LYS 41 2HB LYS 41 11.122 6.944 -12.566 305 HB3 LYS 41 3HB LYS 41 10.448 6.863 -10.943 306 HG2 LYS 41 2HG LYS 41 8.726 5.910 -13.148 307 HG3 LYS 41 3HG LYS 41 10.136 4.927 -12.747 308 HD2 LYS 41 2HD LYS 41 9.056 4.085 -10.997 309 HD3 LYS 41 3HD LYS 41 8.876 5.705 -10.319 310 HE2 LYS 41 2HE LYS 41 6.955 5.694 -12.252 311 HE3 LYS 41 3HE LYS 41 6.933 4.013 -11.721 312 HZ1 LYS 41 1HZ LYS 41 5.589 4.784 -10.129 313 HZ2 LYS 41 2HZ LYS 41 6.071 6.392 -10.336 314 HZ3 LYS 41 3HZ LYS 41 7.003 5.347 -9.388 315 H CYS 42 H CYS 42 7.742 8.074 -10.368 316 HA CYS 42 HA CYS 42 9.202 9.796 -8.540 317 HB2 CYS 42 2HB CYS 42 7.704 11.252 -10.010 318 HB3 CYS 42 3HB CYS 42 6.341 10.477 -9.209 319 H THR 43 H THR 43 8.319 9.768 -6.368 320 HA THR 43 HA THR 43 6.346 7.682 -5.820 321 HB THR 43 HB THR 43 8.308 7.328 -3.837 322 HG1 THR 43 HG1 THR 43 10.183 7.331 -4.841 323 HG21 THR 43 1HG2 THR 43 8.284 5.081 -4.539 324 HG22 THR 43 2HG2 THR 43 7.908 5.518 -6.206 325 HG23 THR 43 3HG2 THR 43 6.684 5.697 -4.949 326 H TYR 44 H TYR 44 5.168 8.000 -3.968 327 HA TYR 44 HA TYR 44 5.918 10.261 -2.249 328 HB2 TYR 44 2HB TYR 44 4.316 11.346 -3.522 329 HB3 TYR 44 3HB TYR 44 3.377 9.880 -3.783 330 HD1 TYR 44 HD1 TYR 44 4.504 11.875 -0.820 331 HD2 TYR 44 HD2 TYR 44 1.295 9.915 -2.811 332 HE1 TYR 44 HE1 TYR 44 2.981 12.536 0.995 333 HE2 TYR 44 HE2 TYR 44 -0.237 10.572 -1.002 334 HH TYR 44 HH TYR 44 0.146 12.870 0.989 335 H ASP 45 H ASP 45 6.036 9.596 -0.222 336 HA ASP 45 HA ASP 45 4.565 7.204 0.597 337 HB2 ASP 45 2HB ASP 45 7.075 7.507 0.994 338 HB3 ASP 45 3HB ASP 45 6.626 8.679 2.230 339 H SER 46 H SER 46 2.694 7.419 1.610 340 HA SER 46 HA SER 46 1.864 9.963 2.681 341 HB2 SER 46 2HB SER 46 -0.277 9.101 2.703 342 HB3 SER 46 3HB SER 46 0.453 8.084 1.462 343 HG SER 46 HG SER 46 0.699 6.457 2.969 344 H TYR 47 H TYR 47 3.326 7.113 3.889 345 HA TYR 47 HA TYR 47 2.398 7.232 6.567 346 HB2 TYR 47 2HB TYR 47 3.443 5.224 5.508 347 HB3 TYR 47 3HB TYR 47 4.995 6.054 5.559 348 HD1 TYR 47 HD1 TYR 47 2.583 4.120 7.417 349 HD2 TYR 47 HD2 TYR 47 5.994 6.636 7.787 350 HE1 TYR 47 HE1 TYR 47 2.953 3.273 9.696 351 HE2 TYR 47 HE2 TYR 47 6.375 5.794 10.067 352 HH TYR 47 HH TYR 47 5.667 3.439 11.301 353 H ASN 48 H ASN 48 5.271 8.506 4.934 354 HA ASN 48 HA ASN 48 5.917 10.024 7.371 355 HB2 ASN 48 2HB ASN 48 8.043 10.247 5.530 356 HB3 ASN 48 3HB ASN 48 8.015 9.326 7.031 357 HD21 ASN 48 1HD2 ASN 48 8.466 9.151 3.765 358 HD22 ASN 48 2HD2 ASN 48 8.249 7.451 3.543 359 H ARG 49 H ARG 49 4.325 10.392 4.553 360 HA ARG 49 HA ARG 49 3.688 12.158 3.268 361 HB2 ARG 49 2HB ARG 49 4.673 13.710 5.669 362 HB3 ARG 49 3HB ARG 49 3.713 14.388 4.360 363 HG2 ARG 49 2HG ARG 49 2.314 12.129 5.253 364 HG3 ARG 49 3HG ARG 49 2.858 12.980 6.701 365 HD2 ARG 49 2HD ARG 49 1.634 14.861 6.220 366 HD3 ARG 49 3HD ARG 49 1.655 14.560 4.483 367 HE ARG 49 HE ARG 49 -0.246 13.290 4.706 368 HH11 ARG 49 1HH1 ARG 49 1.114 13.917 7.848 369 HH12 ARG 49 2HH1 ARG 49 -0.256 13.296 8.709 370 HH21 ARG 49 1HH2 ARG 49 -2.055 12.470 5.827 371 HH22 ARG 49 2HH2 ARG 49 -2.057 12.472 7.558 372 H LYS 50 H LYS 50 6.442 11.134 3.065 373 HA LYS 50 HA LYS 50 7.810 13.548 2.078 374 HB2 LYS 50 2HB LYS 50 9.263 12.589 3.626 375 HB3 LYS 50 3HB LYS 50 8.817 10.948 3.178 376 HG2 LYS 50 2HG LYS 50 10.321 10.852 1.503 377 HG3 LYS 50 3HG LYS 50 10.111 12.550 1.071 378 HD2 LYS 50 2HD LYS 50 12.048 12.966 2.087 379 HD3 LYS 50 3HD LYS 50 11.261 12.574 3.617 380 HE2 LYS 50 2HE LYS 50 11.990 10.325 3.521 381 HE3 LYS 50 3HE LYS 50 12.479 10.480 1.834 382 HZ1 LYS 50 1HZ LYS 50 14.429 10.547 3.151 383 HZ2 LYS 50 2HZ LYS 50 13.778 11.700 4.204 384 HZ3 LYS 50 3HZ LYS 50 14.161 12.129 2.613 385 H VAL 51 H VAL 51 8.393 13.703 -0.025 386 HA VAL 51 HA VAL 51 7.599 11.478 -1.784 387 HB VAL 51 HB VAL 51 7.871 14.402 -2.497 388 HG11 VAL 51 1HG1 VAL 51 8.255 12.657 -4.300 389 HG12 VAL 51 2HG1 VAL 51 6.554 12.230 -4.105 390 HG13 VAL 51 3HG1 VAL 51 7.003 13.856 -4.619 391 HG21 VAL 51 1HG2 VAL 51 5.565 14.638 -2.324 392 HG22 VAL 51 2HG2 VAL 51 5.284 12.897 -2.345 393 HG23 VAL 51 3HG2 VAL 51 5.970 13.662 -0.911 394 H LYS 52 H LYS 52 9.156 10.419 -2.806 395 HA LYS 52 HA LYS 52 11.776 11.731 -3.121 396 HB2 LYS 52 2HB LYS 52 11.923 9.855 -1.600 397 HB3 LYS 52 3HB LYS 52 11.105 8.807 -2.752 398 HG2 LYS 52 2HG LYS 52 12.958 8.730 -4.176 399 HG3 LYS 52 3HG LYS 52 13.711 10.133 -3.414 400 HD2 LYS 52 2HD LYS 52 14.524 8.918 -1.665 401 HD3 LYS 52 3HD LYS 52 13.187 7.766 -1.703 402 HE2 LYS 52 2HE LYS 52 14.135 6.557 -3.472 403 HE3 LYS 52 3HE LYS 52 15.234 7.868 -3.895 404 HZ1 LYS 52 1HZ LYS 52 15.783 5.700 -2.291 405 HZ2 LYS 52 2HZ LYS 52 15.664 7.007 -1.225 406 HZ3 LYS 52 3HZ LYS 52 16.755 7.066 -2.517 407 H CYS 53 H CYS 53 12.586 11.950 -5.114 408 HA CYS 53 HA CYS 53 11.217 10.545 -7.314 409 HB2 CYS 53 2HB CYS 53 12.255 13.355 -7.103 410 HB3 CYS 53 3HB CYS 53 12.105 12.578 -8.676 411 H ASP 54 H ASP 54 12.453 9.703 -8.982 412 HA ASP 54 HA ASP 54 15.370 9.861 -8.709 413 HB2 ASP 54 2HB ASP 54 14.554 7.783 -7.596 414 HB3 ASP 54 3HB ASP 54 13.867 7.271 -9.135 415 H PHE 55 H PHE 55 16.530 9.613 -10.622 416 HA PHE 55 HA PHE 55 15.429 10.606 -12.946 417 HB2 PHE 55 2HB PHE 55 17.462 10.060 -14.028 418 HB3 PHE 55 3HB PHE 55 17.893 10.346 -12.346 419 HD1 PHE 55 HD1 PHE 55 19.392 8.743 -14.533 420 HD2 PHE 55 HD2 PHE 55 16.771 7.632 -11.368 421 HE1 PHE 55 HE1 PHE 55 20.456 6.527 -14.434 422 HE2 PHE 55 HE2 PHE 55 17.831 5.414 -11.265 423 HZ PHE 55 HZ PHE 55 19.677 4.860 -12.798 424 H ARG 56 H ARG 56 15.496 9.381 -15.123 425 HA ARG 56 HA ARG 56 14.829 6.617 -15.142 426 HB2 ARG 56 2HB ARG 56 12.705 8.395 -14.540 427 HB3 ARG 56 3HB ARG 56 12.452 7.825 -16.184 428 HG2 ARG 56 2HG ARG 56 12.865 6.066 -13.776 429 HG3 ARG 56 3HG ARG 56 11.311 6.430 -14.528 430 HD2 ARG 56 2HD ARG 56 11.700 4.532 -15.672 431 HD3 ARG 56 3HD ARG 56 12.714 5.571 -16.672 432 HE ARG 56 HE ARG 56 14.252 4.605 -14.540 433 HH11 ARG 56 1HH1 ARG 56 12.671 3.453 -17.421 434 HH12 ARG 56 2HH1 ARG 56 13.784 2.148 -17.667 435 HH21 ARG 56 1HH2 ARG 56 15.723 2.890 -14.853 436 HH22 ARG 56 2HH2 ARG 56 15.519 1.828 -16.205 437 H HIS 57 H HIS 57 14.585 5.784 -17.253 438 HA HIS 57 HA HIS 57 15.044 5.662 -19.477 439 HB2 HIS 57 2HB HIS 57 13.083 6.895 -19.914 440 HB3 HIS 57 3HB HIS 57 13.780 8.388 -19.293 441 HD1 HIS 57 HD1 HIS 57 13.297 6.470 -22.373 442 HD2 HIS 57 HD2 HIS 57 15.746 9.564 -21.072 443 HE1 HIS 57 HE1 HIS 57 14.247 7.499 -24.461 Start of MODEL 16 1 H1 LEU 1 H LEU 1 2.519 -2.538 -2.587 2 HA LEU 1 HA LEU 1 4.429 -1.371 -3.501 3 HB2 LEU 1 2HB LEU 1 2.445 -2.467 -5.052 4 HB3 LEU 1 3HB LEU 1 2.655 -0.869 -5.766 5 HG LEU 1 HG LEU 1 5.102 -2.478 -5.285 6 HD11 LEU 1 1HD1 LEU 1 4.604 -3.432 -7.671 7 HD12 LEU 1 2HD1 LEU 1 2.924 -3.232 -7.174 8 HD13 LEU 1 3HD1 LEU 1 4.007 -4.257 -6.231 9 HD21 LEU 1 1HD2 LEU 1 4.912 -1.370 -7.877 10 HD22 LEU 1 2HD2 LEU 1 5.923 -0.840 -6.533 11 HD23 LEU 1 3HD2 LEU 1 4.308 -0.162 -6.743 12 H GLU 2 H GLU 2 2.841 0.535 -1.928 13 HA GLU 2 HA GLU 2 2.607 2.781 -1.652 14 HB2 GLU 2 2HB GLU 2 5.062 2.361 -2.991 15 HB3 GLU 2 3HB GLU 2 4.311 3.760 -3.743 16 HG2 GLU 2 2HG GLU 2 5.622 4.635 -2.026 17 HG3 GLU 2 3HG GLU 2 3.978 4.655 -1.389 18 H TYR 3 H TYR 3 2.413 4.948 -3.132 19 HA TYR 3 HA TYR 3 0.144 4.370 -4.864 20 HB2 TYR 3 2HB TYR 3 1.212 6.873 -3.583 21 HB3 TYR 3 3HB TYR 3 0.001 6.950 -4.858 22 HD1 TYR 3 HD1 TYR 3 0.348 7.120 -1.469 23 HD2 TYR 3 HD2 TYR 3 -1.955 5.044 -4.383 24 HE1 TYR 3 HE1 TYR 3 -1.420 6.751 0.200 25 HE2 TYR 3 HE2 TYR 3 -3.730 4.671 -2.722 26 HH TYR 3 HH TYR 3 -4.487 5.237 -0.677 27 H LYS 4 H LYS 4 0.003 4.938 -7.010 28 HA LYS 4 HA LYS 4 2.519 5.145 -8.416 29 HB2 LYS 4 2HB LYS 4 1.023 3.668 -9.450 30 HB3 LYS 4 3HB LYS 4 -0.341 4.760 -9.247 31 HG2 LYS 4 2HG LYS 4 0.074 5.832 -11.167 32 HG3 LYS 4 3HG LYS 4 1.820 5.829 -10.909 33 HD2 LYS 4 2HD LYS 4 2.115 3.865 -12.015 34 HD3 LYS 4 3HD LYS 4 0.552 3.220 -11.508 35 HE2 LYS 4 2HE LYS 4 -0.599 4.431 -13.170 36 HE3 LYS 4 3HE LYS 4 0.793 5.464 -13.493 37 HZ1 LYS 4 1HZ LYS 4 1.302 2.658 -13.893 38 HZ2 LYS 4 2HZ LYS 4 1.662 3.975 -14.890 39 HZ3 LYS 4 3HZ LYS 4 0.119 3.284 -14.928 40 H GLY 5 H GLY 5 3.459 7.064 -8.661 41 HA2 GLY 5 2HA GLY 5 1.762 9.336 -9.468 42 HA3 GLY 5 3HA GLY 5 2.963 9.532 -8.200 43 H GLU 6 H GLU 6 2.855 11.020 -10.625 44 HA GLU 6 HA GLU 6 5.238 10.028 -12.039 45 HB2 GLU 6 2HB GLU 6 4.495 11.742 -13.801 46 HB3 GLU 6 3HB GLU 6 3.548 10.269 -13.642 47 HG2 GLU 6 2HG GLU 6 1.894 11.465 -12.312 48 HG3 GLU 6 3HG GLU 6 2.845 12.942 -12.451 49 H CYS 7 H CYS 7 6.633 11.837 -12.945 50 HA CYS 7 HA CYS 7 6.910 13.971 -10.931 51 HB2 CYS 7 2HB CYS 7 9.049 13.402 -10.591 52 HB3 CYS 7 3HB CYS 7 8.728 11.937 -11.514 53 H PHE 8 H PHE 8 7.896 15.960 -11.687 54 HA PHE 8 HA PHE 8 7.128 16.529 -14.458 55 HB2 PHE 8 2HB PHE 8 6.973 17.995 -11.962 56 HB3 PHE 8 3HB PHE 8 7.792 18.939 -13.203 57 HD1 PHE 8 HD1 PHE 8 4.646 17.469 -12.128 58 HD2 PHE 8 HD2 PHE 8 6.626 19.575 -15.252 59 HE1 PHE 8 HE1 PHE 8 2.467 18.061 -13.106 60 HE2 PHE 8 HE2 PHE 8 4.450 20.172 -16.234 61 HZ PHE 8 HZ PHE 8 2.367 19.415 -15.161 62 H THR 9 H THR 9 8.505 18.363 -15.463 63 HA THR 9 HA THR 9 11.000 17.405 -16.105 64 HB THR 9 HB THR 9 11.209 20.220 -16.289 65 HG1 THR 9 HG1 THR 9 9.086 20.605 -15.971 66 HG21 THR 9 1HG2 THR 9 10.102 18.608 -18.534 67 HG22 THR 9 2HG2 THR 9 11.690 18.175 -17.900 68 HG23 THR 9 3HG2 THR 9 11.404 19.796 -18.532 69 H LYS 10 H LYS 10 13.009 19.077 -15.810 70 HA LYS 10 HA LYS 10 14.038 18.585 -13.278 71 HB2 LYS 10 2HB LYS 10 14.994 19.659 -15.647 72 HB3 LYS 10 3HB LYS 10 15.153 20.986 -14.503 73 HG2 LYS 10 2HG LYS 10 17.039 20.074 -13.796 74 HG3 LYS 10 3HG LYS 10 16.102 18.717 -13.167 75 HD2 LYS 10 2HD LYS 10 17.298 17.455 -14.576 76 HD3 LYS 10 3HD LYS 10 16.281 18.140 -15.847 77 HE2 LYS 10 2HE LYS 10 18.385 18.573 -16.671 78 HE3 LYS 10 3HE LYS 10 18.039 20.071 -15.809 79 HZ1 LYS 10 1HZ LYS 10 19.482 19.534 -14.116 80 HZ2 LYS 10 2HZ LYS 10 20.294 18.899 -15.457 81 HZ3 LYS 10 3HZ LYS 10 19.427 17.872 -14.430 82 H ASP 11 H ASP 11 11.547 20.595 -13.964 83 HA ASP 11 HA ASP 11 12.127 22.882 -12.396 84 HB2 ASP 11 2HB ASP 11 9.748 21.717 -13.701 85 HB3 ASP 11 3HB ASP 11 9.414 22.734 -12.301 86 H ASN 12 H ASN 12 11.804 19.732 -11.473 87 HA ASN 12 HA ASN 12 11.592 18.695 -9.459 88 HB2 ASN 12 2HB ASN 12 12.722 21.164 -8.879 89 HB3 ASN 12 3HB ASN 12 11.363 21.056 -7.764 90 HD21 ASN 12 1HD2 ASN 12 13.389 18.470 -9.050 91 HD22 ASN 12 2HD2 ASN 12 14.012 17.957 -7.522 92 H THR 13 H THR 13 9.542 17.881 -9.815 93 HA THR 13 HA THR 13 7.504 18.792 -8.049 94 HB THR 13 HB THR 13 6.060 18.832 -10.472 95 HG1 THR 13 HG1 THR 13 7.109 20.603 -11.528 96 HG21 THR 13 1HG2 THR 13 5.416 20.027 -8.469 97 HG22 THR 13 2HG2 THR 13 5.590 21.172 -9.799 98 HG23 THR 13 3HG2 THR 13 6.852 21.043 -8.574 99 H CYS 14 H CYS 14 5.611 17.400 -8.066 100 HA CYS 14 HA CYS 14 5.758 14.985 -9.677 101 HB2 CYS 14 2HB CYS 14 6.375 15.092 -6.773 102 HB3 CYS 14 3HB CYS 14 5.362 13.760 -7.320 103 H LYS 15 H LYS 15 3.804 13.928 -9.888 104 HA LYS 15 HA LYS 15 1.518 15.021 -8.402 105 HB2 LYS 15 2HB LYS 15 1.455 16.175 -10.501 106 HB3 LYS 15 3HB LYS 15 1.741 14.687 -11.394 107 HG2 LYS 15 2HG LYS 15 -0.422 13.933 -11.092 108 HG3 LYS 15 3HG LYS 15 -0.691 14.960 -9.682 109 HD2 LYS 15 2HD LYS 15 -0.092 16.612 -11.933 110 HD3 LYS 15 3HD LYS 15 -1.366 15.474 -12.381 111 HE2 LYS 15 2HE LYS 15 -1.454 17.091 -9.846 112 HE3 LYS 15 3HE LYS 15 -2.103 17.688 -11.372 113 HZ1 LYS 15 1HZ LYS 15 -2.936 15.082 -10.255 114 HZ2 LYS 15 2HZ LYS 15 -3.721 16.030 -11.414 115 HZ3 LYS 15 3HZ LYS 15 -3.696 16.521 -9.796 116 H TYR 16 H TYR 16 0.597 13.398 -7.351 117 HA TYR 16 HA TYR 16 0.517 10.750 -8.643 118 HB2 TYR 16 2HB TYR 16 0.488 9.776 -6.380 119 HB3 TYR 16 3HB TYR 16 1.939 10.732 -6.659 120 HD1 TYR 16 HD1 TYR 16 2.032 13.083 -5.705 121 HD2 TYR 16 HD2 TYR 16 -0.941 10.256 -4.576 122 HE1 TYR 16 HE1 TYR 16 1.566 14.392 -3.676 123 HE2 TYR 16 HE2 TYR 16 -1.416 11.559 -2.545 124 HH TYR 16 HH TYR 16 0.597 14.181 -1.531 125 H LYS 17 H LYS 17 -1.301 9.361 -7.597 126 HA LYS 17 HA LYS 17 -3.710 10.982 -7.162 127 HB2 LYS 17 2HB LYS 17 -3.831 10.429 -9.483 128 HB3 LYS 17 3HB LYS 17 -3.369 8.760 -9.175 129 HG2 LYS 17 2HG LYS 17 -5.481 8.375 -8.023 130 HG3 LYS 17 3HG LYS 17 -5.945 10.055 -8.303 131 HD2 LYS 17 2HD LYS 17 -6.424 9.698 -10.490 132 HD3 LYS 17 3HD LYS 17 -5.142 8.501 -10.686 133 HE2 LYS 17 2HE LYS 17 -6.805 7.185 -9.007 134 HE3 LYS 17 3HE LYS 17 -7.964 8.155 -9.915 135 HZ1 LYS 17 1HZ LYS 17 -6.254 7.133 -11.801 136 HZ2 LYS 17 2HZ LYS 17 -7.830 6.609 -11.481 137 HZ3 LYS 17 3HZ LYS 17 -6.517 5.845 -10.735 138 H ILE 18 H ILE 18 -5.088 10.197 -5.657 139 HA ILE 18 HA ILE 18 -4.608 7.477 -4.639 140 HB ILE 18 HB ILE 18 -5.128 9.918 -2.936 141 HG12 ILE 18 2HG1 ILE 18 -2.651 8.243 -3.375 142 HG13 ILE 18 3HG1 ILE 18 -2.853 9.960 -3.707 143 HG21 ILE 18 1HG2 ILE 18 -4.654 7.044 -2.155 144 HG22 ILE 18 2HG2 ILE 18 -4.812 8.401 -1.041 145 HG23 ILE 18 3HG2 ILE 18 -6.183 7.915 -2.038 146 HD11 ILE 18 1HD1 ILE 18 -1.547 9.667 -1.716 147 HD12 ILE 18 2HD1 ILE 18 -3.114 10.354 -1.286 148 HD13 ILE 18 3HD1 ILE 18 -2.794 8.643 -1.003 149 H ASP 19 H ASP 19 -6.401 6.374 -3.852 150 HA ASP 19 HA ASP 19 -8.821 6.718 -5.105 151 HB2 ASP 19 2HB ASP 19 -8.105 5.348 -2.521 152 HB3 ASP 19 3HB ASP 19 -9.753 5.334 -3.143 153 H GLY 20 H GLY 20 -10.287 8.277 -5.004 154 HA2 GLY 20 2HA GLY 20 -11.985 9.365 -3.625 155 HA3 GLY 20 3HA GLY 20 -10.747 9.591 -2.399 156 H LYS 21 H LYS 21 -8.968 11.061 -2.910 157 HA LYS 21 HA LYS 21 -9.732 13.113 -4.880 158 HB2 LYS 21 2HB LYS 21 -8.853 13.452 -2.024 159 HB3 LYS 21 3HB LYS 21 -8.642 14.743 -3.200 160 HG2 LYS 21 2HG LYS 21 -11.275 13.456 -2.509 161 HG3 LYS 21 3HG LYS 21 -10.688 14.986 -1.855 162 HD2 LYS 21 2HD LYS 21 -11.215 14.386 -4.766 163 HD3 LYS 21 3HD LYS 21 -12.241 15.355 -3.705 164 HE2 LYS 21 2HE LYS 21 -9.846 16.584 -3.377 165 HE3 LYS 21 3HE LYS 21 -9.716 16.041 -5.049 166 HZ1 LYS 21 1HZ LYS 21 -10.755 18.324 -4.559 167 HZ2 LYS 21 2HZ LYS 21 -12.135 17.447 -4.126 168 HZ3 LYS 21 3HZ LYS 21 -11.510 17.320 -5.692 169 H THR 22 H THR 22 -8.017 14.281 -5.839 170 HA THR 22 HA THR 22 -5.486 12.802 -5.843 171 HB THR 22 HB THR 22 -6.586 14.811 -7.818 172 HG1 THR 22 HG1 THR 22 -6.981 13.045 -9.071 173 HG21 THR 22 1HG2 THR 22 -4.579 13.713 -9.160 174 HG22 THR 22 2HG2 THR 22 -3.916 13.528 -7.536 175 HG23 THR 22 3HG2 THR 22 -4.342 15.130 -8.138 176 H TYR 23 H TYR 23 -3.538 13.749 -5.405 177 HA TYR 23 HA TYR 23 -3.536 16.593 -4.668 178 HB2 TYR 23 2HB TYR 23 -1.947 14.651 -3.038 179 HB3 TYR 23 3HB TYR 23 -2.563 16.238 -2.593 180 HD1 TYR 23 HD1 TYR 23 -4.719 16.492 -1.611 181 HD2 TYR 23 HD2 TYR 23 -3.486 12.699 -3.093 182 HE1 TYR 23 HE1 TYR 23 -6.639 15.438 -0.492 183 HE2 TYR 23 HE2 TYR 23 -5.403 11.634 -1.979 184 HH TYR 23 HH TYR 23 -7.128 12.990 0.407 185 H LEU 24 H LEU 24 -1.220 17.384 -4.347 186 HA LEU 24 HA LEU 24 0.444 16.243 -6.489 187 HB2 LEU 24 2HB LEU 24 -0.423 18.603 -6.709 188 HB3 LEU 24 3HB LEU 24 0.618 19.023 -5.350 189 HG LEU 24 HG LEU 24 2.531 18.099 -6.814 190 HD11 LEU 24 1HD1 LEU 24 0.474 18.642 -8.950 191 HD12 LEU 24 2HD1 LEU 24 1.066 17.047 -8.487 192 HD13 LEU 24 3HD1 LEU 24 2.169 18.223 -9.201 193 HD21 LEU 24 1HD2 LEU 24 1.186 20.629 -7.739 194 HD22 LEU 24 2HD2 LEU 24 2.909 20.252 -7.748 195 HD23 LEU 24 3HD2 LEU 24 2.067 20.495 -6.217 196 H ALA 25 H ALA 25 2.698 16.070 -6.187 197 HA ALA 25 HA ALA 25 3.588 16.201 -3.381 198 HB1 ALA 25 1HB ALA 25 3.721 13.959 -5.312 199 HB2 ALA 25 2HB ALA 25 5.118 14.205 -4.263 200 HB3 ALA 25 3HB ALA 25 3.523 13.939 -3.559 201 H LYS 26 H LYS 26 5.817 16.626 -3.043 202 HA LYS 26 HA LYS 26 7.105 17.961 -5.330 203 HB2 LYS 26 2HB LYS 26 6.671 19.585 -3.663 204 HB3 LYS 26 3HB LYS 26 7.195 18.514 -2.370 205 HG2 LYS 26 2HG LYS 26 8.826 20.268 -2.785 206 HG3 LYS 26 3HG LYS 26 9.496 18.677 -3.151 207 HD2 LYS 26 2HD LYS 26 9.925 19.289 -5.246 208 HD3 LYS 26 3HD LYS 26 8.245 19.772 -5.490 209 HE2 LYS 26 2HE LYS 26 9.962 21.600 -3.913 210 HE3 LYS 26 3HE LYS 26 10.288 21.488 -5.642 211 HZ1 LYS 26 1HZ LYS 26 8.342 23.001 -4.421 212 HZ2 LYS 26 2HZ LYS 26 7.502 21.723 -5.143 213 HZ3 LYS 26 3HZ LYS 26 8.507 22.710 -6.080 214 H CYS 27 H CYS 27 9.250 17.570 -5.790 215 HA CYS 27 HA CYS 27 10.432 15.255 -4.407 216 HB2 CYS 27 2HB CYS 27 10.396 16.119 -7.258 217 HB3 CYS 27 3HB CYS 27 11.835 15.292 -6.672 218 HA PRO 28 HA PRO 28 13.946 17.559 -3.149 219 HB2 PRO 28 2HB PRO 28 15.991 15.831 -3.598 220 HB3 PRO 28 3HB PRO 28 14.813 15.609 -2.299 221 HG2 PRO 28 2HG PRO 28 14.918 14.324 -5.001 222 HG3 PRO 28 3HG PRO 28 14.558 13.591 -3.427 223 HD2 PRO 28 2HD PRO 28 12.623 14.265 -5.197 224 HD3 PRO 28 3HD PRO 28 12.375 14.331 -3.440 225 H SER 29 H SER 29 15.523 18.933 -3.893 226 HA SER 29 HA SER 29 15.614 19.395 -6.715 227 HB2 SER 29 2HB SER 29 17.555 21.023 -5.728 228 HB3 SER 29 3HB SER 29 15.839 21.429 -5.731 229 HG SER 29 HG SER 29 16.879 21.675 -3.663 230 H ALA 30 H ALA 30 17.346 17.393 -4.634 231 HA ALA 30 HA ALA 30 19.957 17.451 -5.480 232 HB1 ALA 30 1HB ALA 30 19.291 14.723 -5.280 233 HB2 ALA 30 2HB ALA 30 20.010 15.760 -4.046 234 HB3 ALA 30 3HB ALA 30 18.257 15.583 -4.138 235 H ALA 31 H ALA 31 21.067 16.887 -7.263 236 HA ALA 31 HA ALA 31 19.754 16.577 -9.729 237 HB1 ALA 31 1HB ALA 31 22.035 17.516 -9.424 238 HB2 ALA 31 2HB ALA 31 22.622 15.880 -9.119 239 HB3 ALA 31 3HB ALA 31 21.934 16.291 -10.689 240 H ASN 32 H ASN 32 21.239 14.234 -7.543 241 HA ASN 32 HA ASN 32 21.039 12.001 -9.265 242 HB2 ASN 32 2HB ASN 32 21.982 12.519 -6.642 243 HB3 ASN 32 3HB ASN 32 20.824 11.197 -6.520 244 HD21 ASN 32 1HD2 ASN 32 23.983 12.006 -7.141 245 HD22 ASN 32 2HD2 ASN 32 24.498 10.535 -7.887 246 H THR 33 H THR 33 18.741 13.670 -7.318 247 HA THR 33 HA THR 33 16.768 11.534 -7.808 248 HB THR 33 HB THR 33 15.491 12.588 -5.875 249 HG1 THR 33 HG1 THR 33 16.790 14.529 -5.821 250 HG21 THR 33 1HG2 THR 33 16.340 11.000 -4.516 251 HG22 THR 33 2HG2 THR 33 17.990 11.601 -4.678 252 HG23 THR 33 3HG2 THR 33 17.303 10.565 -5.928 253 H LYS 34 H LYS 34 17.662 14.046 -9.339 254 HA LYS 34 HA LYS 34 15.205 15.603 -9.380 255 HB2 LYS 34 2HB LYS 34 17.960 15.945 -10.358 256 HB3 LYS 34 3HB LYS 34 16.721 16.579 -11.433 257 HG2 LYS 34 2HG LYS 34 16.207 17.342 -8.700 258 HG3 LYS 34 3HG LYS 34 17.824 17.832 -9.211 259 HD2 LYS 34 2HD LYS 34 15.767 18.336 -11.221 260 HD3 LYS 34 3HD LYS 34 15.499 19.207 -9.709 261 HE2 LYS 34 2HE LYS 34 18.228 19.205 -10.903 262 HE3 LYS 34 3HE LYS 34 16.987 20.223 -11.632 263 HZ1 LYS 34 1HZ LYS 34 18.307 20.466 -9.050 264 HZ2 LYS 34 2HZ LYS 34 16.661 20.851 -9.084 265 HZ3 LYS 34 3HZ LYS 34 17.742 21.671 -10.095 266 H CYS 35 H CYS 35 14.520 16.250 -11.743 267 HA CYS 35 HA CYS 35 14.216 13.748 -13.271 268 HB2 CYS 35 2HB CYS 35 12.268 16.021 -12.865 269 HB3 CYS 35 3HB CYS 35 12.041 14.754 -14.066 270 H GLU 36 H GLU 36 14.676 13.761 -15.403 271 HA GLU 36 HA GLU 36 15.890 16.179 -16.482 272 HB2 GLU 36 2HB GLU 36 17.192 14.200 -16.777 273 HB3 GLU 36 3HB GLU 36 15.819 13.315 -17.427 274 HG2 GLU 36 2HG GLU 36 16.106 14.127 -19.495 275 HG3 GLU 36 3HG GLU 36 16.542 15.734 -18.918 276 H LYS 37 H LYS 37 13.068 14.186 -16.897 277 HA LYS 37 HA LYS 37 11.976 16.158 -18.750 278 HB2 LYS 37 2HB LYS 37 13.046 14.077 -19.935 279 HB3 LYS 37 3HB LYS 37 11.580 13.262 -19.406 280 HG2 LYS 37 2HG LYS 37 10.323 15.180 -20.535 281 HG3 LYS 37 3HG LYS 37 11.863 15.559 -21.310 282 HD2 LYS 37 2HD LYS 37 11.949 13.249 -22.186 283 HD3 LYS 37 3HD LYS 37 10.363 12.945 -21.474 284 HE2 LYS 37 2HE LYS 37 9.825 15.178 -22.872 285 HE3 LYS 37 3HE LYS 37 11.109 14.500 -23.873 286 HZ1 LYS 37 1HZ LYS 37 9.811 12.813 -24.540 287 HZ2 LYS 37 2HZ LYS 37 8.536 13.830 -24.091 288 HZ3 LYS 37 3HZ LYS 37 9.068 12.622 -23.032 289 H ASP 38 H ASP 38 9.749 16.357 -18.670 290 HA ASP 38 HA ASP 38 8.493 15.563 -16.262 291 HB2 ASP 38 2HB ASP 38 7.743 17.592 -17.213 292 HB3 ASP 38 3HB ASP 38 7.479 16.850 -18.789 293 H GLY 39 H GLY 39 6.787 14.119 -15.900 294 HA2 GLY 39 2HA GLY 39 5.250 12.431 -16.547 295 HA3 GLY 39 3HA GLY 39 6.117 12.260 -18.066 296 H ASN 40 H ASN 40 8.553 12.389 -15.996 297 HA ASN 40 HA ASN 40 9.248 9.702 -16.170 298 HB2 ASN 40 2HB ASN 40 10.388 12.064 -15.105 299 HB3 ASN 40 3HB ASN 40 10.442 10.854 -13.827 300 HD21 ASN 40 1HD2 ASN 40 11.418 11.607 -17.098 301 HD22 ASN 40 2HD2 ASN 40 12.710 10.463 -17.181 302 H LYS 41 H LYS 41 9.904 8.528 -13.946 303 HA LYS 41 HA LYS 41 7.380 7.829 -12.743 304 HB2 LYS 41 2HB LYS 41 9.925 6.583 -13.112 305 HB3 LYS 41 3HB LYS 41 9.540 6.561 -11.396 306 HG2 LYS 41 2HG LYS 41 7.842 5.471 -13.631 307 HG3 LYS 41 3HG LYS 41 8.753 4.539 -12.440 308 HD2 LYS 41 2HD LYS 41 7.289 6.007 -10.767 309 HD3 LYS 41 3HD LYS 41 6.197 6.019 -12.153 310 HE2 LYS 41 2HE LYS 41 7.284 3.624 -10.684 311 HE3 LYS 41 3HE LYS 41 5.608 4.165 -10.766 312 HZ1 LYS 41 1HZ LYS 41 5.696 2.449 -12.292 313 HZ2 LYS 41 2HZ LYS 41 7.233 2.871 -12.857 314 HZ3 LYS 41 3HZ LYS 41 5.891 3.811 -13.277 315 H CYS 42 H CYS 42 6.892 7.896 -10.514 316 HA CYS 42 HA CYS 42 8.629 9.387 -8.735 317 HB2 CYS 42 2HB CYS 42 7.227 11.071 -10.039 318 HB3 CYS 42 3HB CYS 42 5.829 10.410 -9.197 319 H THR 43 H THR 43 7.892 9.349 -6.513 320 HA THR 43 HA THR 43 5.775 7.401 -5.941 321 HB THR 43 HB THR 43 7.966 7.090 -4.075 322 HG1 THR 43 HG1 THR 43 8.948 7.583 -6.326 323 HG21 THR 43 1HG2 THR 43 6.386 5.392 -4.071 324 HG22 THR 43 2HG2 THR 43 7.693 4.675 -5.013 325 HG23 THR 43 3HG2 THR 43 6.282 5.346 -5.831 326 H TYR 44 H TYR 44 4.644 7.762 -4.071 327 HA TYR 44 HA TYR 44 5.546 9.927 -2.311 328 HB2 TYR 44 2HB TYR 44 4.057 11.141 -3.645 329 HB3 TYR 44 3HB TYR 44 2.950 9.784 -3.815 330 HD1 TYR 44 HD1 TYR 44 4.110 12.443 -1.539 331 HD2 TYR 44 HD2 TYR 44 1.229 9.384 -2.204 332 HE1 TYR 44 HE1 TYR 44 2.746 13.336 0.302 333 HE2 TYR 44 HE2 TYR 44 -0.144 10.269 -0.365 334 HH TYR 44 HH TYR 44 0.518 13.310 1.124 335 H ASP 45 H ASP 45 5.331 9.451 -0.221 336 HA ASP 45 HA ASP 45 3.834 7.034 0.496 337 HB2 ASP 45 2HB ASP 45 6.313 7.387 1.096 338 HB3 ASP 45 3HB ASP 45 5.723 8.523 2.307 339 H SER 46 H SER 46 1.930 7.201 1.461 340 HA SER 46 HA SER 46 0.978 9.776 2.365 341 HB2 SER 46 2HB SER 46 -1.172 8.627 2.683 342 HB3 SER 46 3HB SER 46 -0.506 8.289 1.085 343 HG SER 46 HG SER 46 -0.135 6.254 1.647 344 H TYR 47 H TYR 47 2.573 7.148 3.752 345 HA TYR 47 HA TYR 47 1.411 7.346 6.379 346 HB2 TYR 47 2HB TYR 47 2.424 5.245 5.434 347 HB3 TYR 47 3HB TYR 47 4.003 6.005 5.593 348 HD1 TYR 47 HD1 TYR 47 5.004 6.352 7.781 349 HD2 TYR 47 HD2 TYR 47 1.190 4.507 7.392 350 HE1 TYR 47 HE1 TYR 47 5.151 5.571 10.109 351 HE2 TYR 47 HE2 TYR 47 1.326 3.721 9.719 352 HH TYR 47 HH TYR 47 3.105 4.880 11.950 353 H ASN 48 H ASN 48 4.417 8.388 4.820 354 HA ASN 48 HA ASN 48 5.026 10.006 7.202 355 HB2 ASN 48 2HB ASN 48 7.258 10.033 5.502 356 HB3 ASN 48 3HB ASN 48 7.083 9.143 7.011 357 HD21 ASN 48 1HD2 ASN 48 7.696 8.891 3.766 358 HD22 ASN 48 2HD2 ASN 48 7.407 7.200 3.562 359 H ARG 49 H ARG 49 3.595 10.291 4.289 360 HA ARG 49 HA ARG 49 3.159 11.995 2.844 361 HB2 ARG 49 2HB ARG 49 4.012 13.738 5.162 362 HB3 ARG 49 3HB ARG 49 2.999 14.218 3.807 363 HG2 ARG 49 2HG ARG 49 1.632 12.076 4.797 364 HG3 ARG 49 3HG ARG 49 2.308 12.795 6.260 365 HD2 ARG 49 2HD ARG 49 0.620 14.175 4.177 366 HD3 ARG 49 3HD ARG 49 0.131 13.745 5.815 367 HE ARG 49 HE ARG 49 1.624 16.043 5.018 368 HH11 ARG 49 1HH1 ARG 49 1.129 13.773 7.611 369 HH12 ARG 49 2HH1 ARG 49 1.646 14.873 8.846 370 HH21 ARG 49 1HH2 ARG 49 2.306 17.500 6.635 371 HH22 ARG 49 2HH2 ARG 49 2.314 16.992 8.290 372 H LYS 50 H LYS 50 5.884 10.901 2.928 373 HA LYS 50 HA LYS 50 7.405 13.239 1.983 374 HB2 LYS 50 2HB LYS 50 8.702 12.321 3.675 375 HB3 LYS 50 3HB LYS 50 8.222 10.674 3.291 376 HG2 LYS 50 2HG LYS 50 9.772 10.462 1.620 377 HG3 LYS 50 3HG LYS 50 9.824 12.197 1.299 378 HD2 LYS 50 2HD LYS 50 11.160 12.607 3.206 379 HD3 LYS 50 3HD LYS 50 10.856 10.995 3.857 380 HE2 LYS 50 2HE LYS 50 13.052 10.959 2.972 381 HE3 LYS 50 3HE LYS 50 12.039 10.081 1.827 382 HZ1 LYS 50 1HZ LYS 50 11.885 12.225 0.561 383 HZ2 LYS 50 2HZ LYS 50 13.412 11.499 0.567 384 HZ3 LYS 50 3HZ LYS 50 13.106 12.832 1.562 385 H VAL 51 H VAL 51 8.338 13.228 -0.028 386 HA VAL 51 HA VAL 51 7.368 11.154 -1.856 387 HB VAL 51 HB VAL 51 8.711 13.732 -2.647 388 HG11 VAL 51 1HG1 VAL 51 6.707 12.048 -4.137 389 HG12 VAL 51 2HG1 VAL 51 7.674 13.384 -4.764 390 HG13 VAL 51 3HG1 VAL 51 8.453 11.869 -4.307 391 HG21 VAL 51 1HG2 VAL 51 5.765 13.257 -2.201 392 HG22 VAL 51 2HG2 VAL 51 6.810 14.279 -1.214 393 HG23 VAL 51 3HG2 VAL 51 6.483 14.713 -2.891 394 H LYS 52 H LYS 52 8.683 9.733 -2.812 395 HA LYS 52 HA LYS 52 11.589 10.113 -2.491 396 HB2 LYS 52 2HB LYS 52 10.834 8.244 -1.160 397 HB3 LYS 52 3HB LYS 52 9.966 7.564 -2.530 398 HG2 LYS 52 2HG LYS 52 11.982 6.324 -2.206 399 HG3 LYS 52 3HG LYS 52 12.136 7.265 -3.692 400 HD2 LYS 52 2HD LYS 52 13.915 8.352 -2.903 401 HD3 LYS 52 3HD LYS 52 13.076 8.761 -1.405 402 HE2 LYS 52 2HE LYS 52 14.100 5.986 -1.803 403 HE3 LYS 52 3HE LYS 52 15.229 7.267 -1.367 404 HZ1 LYS 52 1HZ LYS 52 13.902 5.842 0.422 405 HZ2 LYS 52 2HZ LYS 52 12.788 7.096 0.209 406 HZ3 LYS 52 3HZ LYS 52 14.370 7.445 0.697 407 H CYS 53 H CYS 53 12.613 10.508 -4.328 408 HA CYS 53 HA CYS 53 11.651 9.214 -6.790 409 HB2 CYS 53 2HB CYS 53 12.892 11.934 -6.911 410 HB3 CYS 53 3HB CYS 53 11.773 11.167 -8.033 411 H ASP 54 H ASP 54 13.197 8.436 -8.162 412 HA ASP 54 HA ASP 54 16.009 8.977 -7.551 413 HB2 ASP 54 2HB ASP 54 15.896 6.991 -6.376 414 HB3 ASP 54 3HB ASP 54 14.637 6.327 -7.413 415 H PHE 55 H PHE 55 17.428 8.698 -9.287 416 HA PHE 55 HA PHE 55 16.173 8.126 -11.887 417 HB2 PHE 55 2HB PHE 55 17.335 10.607 -10.978 418 HB3 PHE 55 3HB PHE 55 18.231 9.983 -12.359 419 HD1 PHE 55 HD1 PHE 55 14.611 9.987 -11.455 420 HD2 PHE 55 HD2 PHE 55 17.609 11.088 -14.269 421 HE1 PHE 55 HE1 PHE 55 12.872 10.849 -12.967 422 HE2 PHE 55 HE2 PHE 55 15.875 11.952 -15.784 423 HZ PHE 55 HZ PHE 55 13.502 11.834 -15.134 424 H ARG 56 H ARG 56 17.706 7.511 -13.579 425 HA ARG 56 HA ARG 56 20.224 6.406 -12.541 426 HB2 ARG 56 2HB ARG 56 19.776 4.415 -14.085 427 HB3 ARG 56 3HB ARG 56 18.863 4.491 -12.584 428 HG2 ARG 56 2HG ARG 56 17.528 5.798 -14.824 429 HG3 ARG 56 3HG ARG 56 17.813 4.074 -15.071 430 HD2 ARG 56 2HD ARG 56 16.633 5.110 -12.516 431 HD3 ARG 56 3HD ARG 56 15.625 4.807 -13.931 432 HE ARG 56 HE ARG 56 17.250 2.558 -13.330 433 HH11 ARG 56 1HH1 ARG 56 14.387 4.256 -12.310 434 HH12 ARG 56 2HH1 ARG 56 13.638 2.850 -11.629 435 HH21 ARG 56 1HH2 ARG 56 16.274 0.700 -12.437 436 HH22 ARG 56 2HH2 ARG 56 14.712 0.828 -11.701 437 H HIS 57 H HIS 57 21.911 6.225 -14.046 438 HA HIS 57 HA HIS 57 23.185 6.842 -15.827 439 HB2 HIS 57 2HB HIS 57 21.042 5.645 -16.935 440 HB3 HIS 57 3HB HIS 57 20.864 7.255 -17.628 441 HD1 HIS 57 HD1 HIS 57 23.075 8.140 -18.949 442 HD2 HIS 57 HD2 HIS 57 22.811 4.054 -18.244 443 HE1 HIS 57 HE1 HIS 57 24.699 7.075 -20.547 Start of MODEL 17 1 H1 LEU 1 H LEU 1 3.960 -1.275 -2.036 2 HA LEU 1 HA LEU 1 1.691 -1.007 -2.696 3 HB2 LEU 1 2HB LEU 1 1.434 -0.404 0.219 4 HB3 LEU 1 3HB LEU 1 0.211 0.181 -0.907 5 HG LEU 1 HG LEU 1 -0.514 -1.881 0.136 6 HD11 LEU 1 1HD1 LEU 1 0.249 -2.549 -2.691 7 HD12 LEU 1 2HD1 LEU 1 -0.991 -1.357 -2.302 8 HD13 LEU 1 3HD1 LEU 1 -1.191 -3.034 -1.795 9 HD21 LEU 1 1HD2 LEU 1 1.857 -2.707 0.511 10 HD22 LEU 1 2HD2 LEU 1 1.813 -3.278 -1.157 11 HD23 LEU 1 3HD2 LEU 1 0.667 -3.915 0.024 12 H GLU 2 H GLU 2 4.144 0.687 -2.588 13 HA GLU 2 HA GLU 2 3.611 3.360 -2.095 14 HB2 GLU 2 2HB GLU 2 5.452 1.936 -3.975 15 HB3 GLU 2 3HB GLU 2 5.289 3.683 -4.095 16 HG2 GLU 2 2HG GLU 2 6.835 3.845 -2.522 17 HG3 GLU 2 3HG GLU 2 5.649 3.205 -1.385 18 H TYR 3 H TYR 3 2.892 5.081 -3.366 19 HA TYR 3 HA TYR 3 0.852 4.365 -5.284 20 HB2 TYR 3 2HB TYR 3 1.695 6.927 -3.960 21 HB3 TYR 3 3HB TYR 3 0.588 6.947 -5.328 22 HD1 TYR 3 HD1 TYR 3 0.663 7.113 -1.916 23 HD2 TYR 3 HD2 TYR 3 -1.321 4.975 -5.013 24 HE1 TYR 3 HE1 TYR 3 -1.215 6.663 -0.393 25 HE2 TYR 3 HE2 TYR 3 -3.206 4.520 -3.500 26 HH TYR 3 HH TYR 3 -3.283 4.430 -0.634 27 H LYS 4 H LYS 4 0.832 4.809 -7.446 28 HA LYS 4 HA LYS 4 3.408 5.231 -8.692 29 HB2 LYS 4 2HB LYS 4 0.672 4.508 -9.701 30 HB3 LYS 4 3HB LYS 4 1.947 4.975 -10.818 31 HG2 LYS 4 2HG LYS 4 3.329 3.151 -9.587 32 HG3 LYS 4 3HG LYS 4 1.746 2.560 -9.078 33 HD2 LYS 4 2HD LYS 4 1.282 2.916 -11.703 34 HD3 LYS 4 3HD LYS 4 3.010 2.559 -11.750 35 HE2 LYS 4 2HE LYS 4 1.182 0.829 -10.141 36 HE3 LYS 4 3HE LYS 4 1.257 0.626 -11.891 37 HZ1 LYS 4 1HZ LYS 4 2.797 -0.830 -10.643 38 HZ2 LYS 4 2HZ LYS 4 3.627 0.543 -10.106 39 HZ3 LYS 4 3HZ LYS 4 3.582 0.173 -11.757 40 H GLY 5 H GLY 5 4.131 7.255 -8.868 41 HA2 GLY 5 2HA GLY 5 2.291 9.268 -9.985 42 HA3 GLY 5 3HA GLY 5 3.273 9.656 -8.580 43 H GLU 6 H GLU 6 3.317 11.045 -11.064 44 HA GLU 6 HA GLU 6 5.973 10.322 -12.107 45 HB2 GLU 6 2HB GLU 6 4.029 12.186 -13.452 46 HB3 GLU 6 3HB GLU 6 5.406 11.351 -14.158 47 HG2 GLU 6 2HG GLU 6 2.807 10.132 -13.264 48 HG3 GLU 6 3HG GLU 6 3.392 10.312 -14.917 49 H CYS 7 H CYS 7 7.259 12.256 -12.890 50 HA CYS 7 HA CYS 7 6.988 14.476 -10.970 51 HB2 CYS 7 2HB CYS 7 9.212 14.412 -10.463 52 HB3 CYS 7 3HB CYS 7 9.001 12.715 -10.881 53 H PHE 8 H PHE 8 8.310 16.443 -11.735 54 HA PHE 8 HA PHE 8 7.734 16.860 -14.593 55 HB2 PHE 8 2HB PHE 8 7.051 18.388 -12.251 56 HB3 PHE 8 3HB PHE 8 8.047 19.362 -13.328 57 HD1 PHE 8 HD1 PHE 8 7.282 19.890 -15.589 58 HD2 PHE 8 HD2 PHE 8 4.833 17.735 -12.856 59 HE1 PHE 8 HE1 PHE 8 5.317 20.344 -16.998 60 HE2 PHE 8 HE2 PHE 8 2.864 18.185 -14.260 61 HZ PHE 8 HZ PHE 8 3.104 19.490 -16.335 62 H THR 9 H THR 9 9.095 18.777 -15.481 63 HA THR 9 HA THR 9 11.720 18.000 -15.728 64 HB THR 9 HB THR 9 11.702 20.830 -15.995 65 HG1 THR 9 HG1 THR 9 9.805 20.761 -17.549 66 HG21 THR 9 1HG2 THR 9 12.517 18.657 -17.431 67 HG22 THR 9 2HG2 THR 9 12.503 20.314 -18.035 68 HG23 THR 9 3HG2 THR 9 11.158 19.232 -18.395 69 H LYS 10 H LYS 10 13.508 19.904 -15.246 70 HA LYS 10 HA LYS 10 14.286 19.552 -12.619 71 HB2 LYS 10 2HB LYS 10 15.385 20.729 -14.838 72 HB3 LYS 10 3HB LYS 10 15.144 22.112 -13.778 73 HG2 LYS 10 2HG LYS 10 17.241 21.483 -13.151 74 HG3 LYS 10 3HG LYS 10 16.283 20.539 -12.007 75 HD2 LYS 10 2HD LYS 10 16.778 18.561 -13.017 76 HD3 LYS 10 3HD LYS 10 16.883 19.283 -14.624 77 HE2 LYS 10 2HE LYS 10 19.026 20.386 -13.820 78 HE3 LYS 10 3HE LYS 10 18.941 19.305 -12.430 79 HZ1 LYS 10 1HZ LYS 10 20.328 18.306 -14.061 80 HZ2 LYS 10 2HZ LYS 10 19.184 18.536 -15.285 81 HZ3 LYS 10 3HZ LYS 10 18.879 17.432 -14.040 82 H ASP 11 H ASP 11 11.663 21.276 -13.633 83 HA ASP 11 HA ASP 11 11.740 23.547 -11.940 84 HB2 ASP 11 2HB ASP 11 9.799 22.245 -13.697 85 HB3 ASP 11 3HB ASP 11 9.057 22.977 -12.277 86 H ASN 12 H ASN 12 11.660 20.350 -11.150 87 HA ASN 12 HA ASN 12 11.187 19.175 -9.260 88 HB2 ASN 12 2HB ASN 12 11.632 21.950 -8.326 89 HB3 ASN 12 3HB ASN 12 10.818 20.877 -7.191 90 HD21 ASN 12 1HD2 ASN 12 12.002 18.491 -7.653 91 HD22 ASN 12 2HD2 ASN 12 13.684 18.572 -7.268 92 H THR 13 H THR 13 9.231 18.273 -9.734 93 HA THR 13 HA THR 13 6.978 19.147 -8.225 94 HB THR 13 HB THR 13 5.865 19.039 -10.842 95 HG1 THR 13 HG1 THR 13 8.181 19.862 -11.214 96 HG21 THR 13 1HG2 THR 13 6.177 21.407 -8.995 97 HG22 THR 13 2HG2 THR 13 4.945 20.157 -8.818 98 HG23 THR 13 3HG2 THR 13 4.954 21.190 -10.247 99 H CYS 14 H CYS 14 5.324 17.598 -8.137 100 HA CYS 14 HA CYS 14 5.612 15.188 -9.757 101 HB2 CYS 14 2HB CYS 14 6.033 15.340 -6.799 102 HB3 CYS 14 3HB CYS 14 5.280 13.901 -7.480 103 H LYS 15 H LYS 15 3.722 14.065 -10.052 104 HA LYS 15 HA LYS 15 1.343 15.019 -8.613 105 HB2 LYS 15 2HB LYS 15 1.348 16.163 -10.751 106 HB3 LYS 15 3HB LYS 15 1.602 14.645 -11.602 107 HG2 LYS 15 2HG LYS 15 -0.567 14.016 -11.418 108 HG3 LYS 15 3HG LYS 15 -0.789 14.832 -9.868 109 HD2 LYS 15 2HD LYS 15 -0.274 16.848 -11.760 110 HD3 LYS 15 3HD LYS 15 -1.431 15.747 -12.511 111 HE2 LYS 15 2HE LYS 15 -3.033 16.116 -10.879 112 HE3 LYS 15 3HE LYS 15 -1.848 16.669 -9.697 113 HZ1 LYS 15 1HZ LYS 15 -2.645 18.167 -12.134 114 HZ2 LYS 15 2HZ LYS 15 -1.574 18.701 -10.939 115 HZ3 LYS 15 3HZ LYS 15 -3.211 18.484 -10.572 116 H TYR 16 H TYR 16 0.587 13.320 -7.540 117 HA TYR 16 HA TYR 16 0.663 10.682 -8.850 118 HB2 TYR 16 2HB TYR 16 0.608 9.713 -6.584 119 HB3 TYR 16 3HB TYR 16 2.008 10.754 -6.815 120 HD1 TYR 16 HD1 TYR 16 -0.873 10.083 -4.807 121 HD2 TYR 16 HD2 TYR 16 1.882 13.136 -5.899 122 HE1 TYR 16 HE1 TYR 16 -1.499 11.358 -2.799 123 HE2 TYR 16 HE2 TYR 16 1.264 14.419 -3.894 124 HH TYR 16 HH TYR 16 -1.358 13.381 -1.784 125 H LYS 17 H LYS 17 -1.108 9.185 -7.928 126 HA LYS 17 HA LYS 17 -3.625 10.657 -7.569 127 HB2 LYS 17 2HB LYS 17 -3.613 10.093 -9.893 128 HB3 LYS 17 3HB LYS 17 -3.074 8.454 -9.555 129 HG2 LYS 17 2HG LYS 17 -5.203 7.938 -8.518 130 HG3 LYS 17 3HG LYS 17 -5.746 9.599 -8.767 131 HD2 LYS 17 2HD LYS 17 -6.092 9.294 -10.998 132 HD3 LYS 17 3HD LYS 17 -4.792 8.109 -11.148 133 HE2 LYS 17 2HE LYS 17 -6.533 6.777 -9.550 134 HE3 LYS 17 3HE LYS 17 -7.643 7.732 -10.531 135 HZ1 LYS 17 1HZ LYS 17 -7.240 6.481 -12.312 136 HZ2 LYS 17 2HZ LYS 17 -6.537 5.365 -11.253 137 HZ3 LYS 17 3HZ LYS 17 -5.566 6.485 -12.069 138 H ILE 18 H ILE 18 -5.016 9.788 -6.122 139 HA ILE 18 HA ILE 18 -4.406 7.107 -5.071 140 HB ILE 18 HB ILE 18 -5.155 9.515 -3.407 141 HG12 ILE 18 2HG1 ILE 18 -2.564 7.994 -3.726 142 HG13 ILE 18 3HG1 ILE 18 -2.855 9.696 -4.068 143 HG21 ILE 18 1HG2 ILE 18 -6.129 7.457 -2.545 144 HG22 ILE 18 2HG2 ILE 18 -4.549 6.677 -2.589 145 HG23 ILE 18 3HG2 ILE 18 -4.835 8.026 -1.490 146 HD11 ILE 18 1HD1 ILE 18 -2.840 8.382 -1.363 147 HD12 ILE 18 2HD1 ILE 18 -1.626 9.481 -2.020 148 HD13 ILE 18 3HD1 ILE 18 -3.249 10.071 -1.664 149 H ASP 19 H ASP 19 -6.156 5.890 -4.359 150 HA ASP 19 HA ASP 19 -8.535 6.072 -5.719 151 HB2 ASP 19 2HB ASP 19 -8.146 4.856 -2.976 152 HB3 ASP 19 3HB ASP 19 -9.450 4.481 -4.100 153 H GLY 20 H GLY 20 -10.101 7.536 -5.689 154 HA2 GLY 20 2HA GLY 20 -11.926 8.515 -4.398 155 HA3 GLY 20 3HA GLY 20 -10.767 8.811 -3.110 156 H LYS 21 H LYS 21 -9.051 10.386 -3.540 157 HA LYS 21 HA LYS 21 -9.850 12.399 -5.536 158 HB2 LYS 21 2HB LYS 21 -9.125 12.770 -2.641 159 HB3 LYS 21 3HB LYS 21 -8.923 14.077 -3.800 160 HG2 LYS 21 2HG LYS 21 -11.515 12.653 -3.236 161 HG3 LYS 21 3HG LYS 21 -11.041 14.215 -2.565 162 HD2 LYS 21 2HD LYS 21 -11.411 13.571 -5.491 163 HD3 LYS 21 3HD LYS 21 -12.520 14.504 -4.483 164 HE2 LYS 21 2HE LYS 21 -10.235 15.865 -4.061 165 HE3 LYS 21 3HE LYS 21 -9.941 15.275 -5.696 166 HZ1 LYS 21 1HZ LYS 21 -11.009 17.290 -6.017 167 HZ2 LYS 21 2HZ LYS 21 -12.089 17.056 -4.737 168 HZ3 LYS 21 3HZ LYS 21 -12.274 16.177 -6.171 169 H THR 22 H THR 22 -8.169 13.665 -6.424 170 HA THR 22 HA THR 22 -5.555 12.343 -6.312 171 HB THR 22 HB THR 22 -6.634 14.312 -8.339 172 HG1 THR 22 HG1 THR 22 -7.602 12.505 -8.940 173 HG21 THR 22 1HG2 THR 22 -4.178 14.404 -8.084 174 HG22 THR 22 2HG2 THR 22 -4.667 13.770 -9.656 175 HG23 THR 22 3HG2 THR 22 -4.099 12.671 -8.399 176 H TYR 23 H TYR 23 -3.687 13.414 -5.804 177 HA TYR 23 HA TYR 23 -3.897 16.253 -5.077 178 HB2 TYR 23 2HB TYR 23 -2.255 14.413 -3.380 179 HB3 TYR 23 3HB TYR 23 -2.979 15.963 -2.966 180 HD1 TYR 23 HD1 TYR 23 -3.684 12.376 -3.500 181 HD2 TYR 23 HD2 TYR 23 -5.175 16.090 -2.056 182 HE1 TYR 23 HE1 TYR 23 -5.576 11.203 -2.455 183 HE2 TYR 23 HE2 TYR 23 -7.071 14.927 -1.006 184 HH TYR 23 HH TYR 23 -7.368 11.393 -1.152 185 H LEU 24 H LEU 24 -1.660 17.202 -4.683 186 HA LEU 24 HA LEU 24 0.180 16.136 -6.720 187 HB2 LEU 24 2HB LEU 24 -0.863 18.399 -7.091 188 HB3 LEU 24 3HB LEU 24 0.055 18.965 -5.698 189 HG LEU 24 HG LEU 24 2.116 18.117 -7.036 190 HD11 LEU 24 1HD1 LEU 24 0.732 16.988 -8.765 191 HD12 LEU 24 2HD1 LEU 24 1.885 18.150 -9.420 192 HD13 LEU 24 3HD1 LEU 24 0.178 18.575 -9.297 193 HD21 LEU 24 1HD2 LEU 24 0.527 20.596 -7.650 194 HD22 LEU 24 2HD2 LEU 24 2.147 20.316 -8.290 195 HD23 LEU 24 3HD2 LEU 24 1.892 20.416 -6.547 196 H ALA 25 H ALA 25 2.427 16.185 -6.315 197 HA ALA 25 HA ALA 25 3.185 16.545 -3.492 198 HB1 ALA 25 1HB ALA 25 3.370 14.140 -5.150 199 HB2 ALA 25 2HB ALA 25 4.864 14.561 -4.313 200 HB3 ALA 25 3HB ALA 25 3.379 14.315 -3.395 201 H LYS 26 H LYS 26 5.358 17.147 -3.111 202 HA LYS 26 HA LYS 26 6.691 18.309 -5.466 203 HB2 LYS 26 2HB LYS 26 5.774 19.726 -3.409 204 HB3 LYS 26 3HB LYS 26 7.321 19.260 -2.713 205 HG2 LYS 26 2HG LYS 26 7.132 20.523 -5.425 206 HG3 LYS 26 3HG LYS 26 7.196 21.485 -3.947 207 HD2 LYS 26 2HD LYS 26 9.238 19.537 -3.770 208 HD3 LYS 26 3HD LYS 26 9.336 20.252 -5.380 209 HE2 LYS 26 2HE LYS 26 9.835 22.334 -4.573 210 HE3 LYS 26 3HE LYS 26 8.978 22.071 -3.055 211 HZ1 LYS 26 1HZ LYS 26 11.284 22.117 -2.580 212 HZ2 LYS 26 2HZ LYS 26 11.646 21.025 -3.820 213 HZ3 LYS 26 3HZ LYS 26 10.800 20.501 -2.452 214 H CYS 27 H CYS 27 8.879 18.014 -5.754 215 HA CYS 27 HA CYS 27 10.129 16.010 -3.992 216 HB2 CYS 27 2HB CYS 27 10.204 16.424 -6.950 217 HB3 CYS 27 3HB CYS 27 11.622 15.741 -6.161 218 HA PRO 28 HA PRO 28 13.349 18.808 -2.963 219 HB2 PRO 28 2HB PRO 28 15.475 17.132 -2.764 220 HB3 PRO 28 3HB PRO 28 14.169 17.173 -1.573 221 HG2 PRO 28 2HG PRO 28 14.600 15.274 -3.846 222 HG3 PRO 28 3HG PRO 28 14.091 14.930 -2.183 223 HD2 PRO 28 2HD PRO 28 12.342 15.048 -4.247 224 HD3 PRO 28 3HD PRO 28 11.904 15.530 -2.595 225 H SER 29 H SER 29 15.254 19.842 -3.731 226 HA SER 29 HA SER 29 15.500 19.797 -6.592 227 HB2 SER 29 2HB SER 29 17.506 21.447 -5.768 228 HB3 SER 29 3HB SER 29 15.833 21.958 -5.989 229 HG SER 29 HG SER 29 15.528 21.956 -3.859 230 H ALA 30 H ALA 30 16.748 17.843 -4.290 231 HA ALA 30 HA ALA 30 19.442 17.593 -4.628 232 HB1 ALA 30 1HB ALA 30 17.290 15.855 -3.808 233 HB2 ALA 30 2HB ALA 30 18.550 14.956 -4.655 234 HB3 ALA 30 3HB ALA 30 18.959 15.926 -3.240 235 H ALA 31 H ALA 31 20.772 17.208 -6.271 236 HA ALA 31 HA ALA 31 19.973 17.016 -8.919 237 HB1 ALA 31 1HB ALA 31 22.553 15.748 -8.293 238 HB2 ALA 31 2HB ALA 31 22.170 17.062 -9.407 239 HB3 ALA 31 3HB ALA 31 22.344 17.390 -7.682 240 H ASN 32 H ASN 32 20.687 14.463 -6.598 241 HA ASN 32 HA ASN 32 20.310 12.391 -8.598 242 HB2 ASN 32 2HB ASN 32 21.906 12.467 -6.438 243 HB3 ASN 32 3HB ASN 32 20.498 11.693 -5.717 244 HD21 ASN 32 1HD2 ASN 32 22.942 11.443 -8.203 245 HD22 ASN 32 2HD2 ASN 32 22.798 9.738 -8.443 246 H THR 33 H THR 33 18.354 14.246 -6.634 247 HA THR 33 HA THR 33 16.242 12.189 -6.634 248 HB THR 33 HB THR 33 16.146 14.553 -4.793 249 HG1 THR 33 HG1 THR 33 17.736 12.230 -4.533 250 HG21 THR 33 1HG2 THR 33 14.733 13.161 -3.481 251 HG22 THR 33 2HG2 THR 33 15.189 11.723 -4.393 252 HG23 THR 33 3HG2 THR 33 14.206 12.974 -5.153 253 H LYS 34 H LYS 34 17.104 14.382 -8.595 254 HA LYS 34 HA LYS 34 14.474 15.694 -8.814 255 HB2 LYS 34 2HB LYS 34 15.622 17.508 -10.038 256 HB3 LYS 34 3HB LYS 34 16.212 17.333 -8.390 257 HG2 LYS 34 2HG LYS 34 18.172 17.595 -9.544 258 HG3 LYS 34 3HG LYS 34 18.034 15.835 -9.504 259 HD2 LYS 34 2HD LYS 34 16.644 16.920 -11.785 260 HD3 LYS 34 3HD LYS 34 18.322 17.466 -11.759 261 HE2 LYS 34 2HE LYS 34 18.039 14.643 -11.109 262 HE3 LYS 34 3HE LYS 34 17.408 15.041 -12.706 263 HZ1 LYS 34 1HZ LYS 34 19.782 16.379 -12.565 264 HZ2 LYS 34 2HZ LYS 34 19.505 14.929 -13.389 265 HZ3 LYS 34 3HZ LYS 34 20.117 14.901 -11.813 266 H CYS 35 H CYS 35 14.165 16.465 -11.220 267 HA CYS 35 HA CYS 35 14.858 14.207 -12.983 268 HB2 CYS 35 2HB CYS 35 12.259 15.752 -12.872 269 HB3 CYS 35 3HB CYS 35 12.654 14.535 -14.080 270 H GLU 36 H GLU 36 15.557 14.675 -15.010 271 HA GLU 36 HA GLU 36 16.185 17.462 -15.556 272 HB2 GLU 36 2HB GLU 36 17.726 16.671 -17.168 273 HB3 GLU 36 3HB GLU 36 17.854 15.567 -15.806 274 HG2 GLU 36 2HG GLU 36 17.523 13.884 -17.193 275 HG3 GLU 36 3HG GLU 36 15.893 14.487 -17.489 276 H LYS 37 H LYS 37 13.860 15.137 -16.434 277 HA LYS 37 HA LYS 37 12.777 16.963 -18.443 278 HB2 LYS 37 2HB LYS 37 14.178 14.881 -19.354 279 HB3 LYS 37 3HB LYS 37 12.645 14.060 -19.089 280 HG2 LYS 37 2HG LYS 37 11.517 15.588 -20.569 281 HG3 LYS 37 3HG LYS 37 12.991 16.541 -20.760 282 HD2 LYS 37 2HD LYS 37 13.297 13.688 -21.373 283 HD3 LYS 37 3HD LYS 37 12.189 14.551 -22.442 284 HE2 LYS 37 2HE LYS 37 14.048 16.306 -22.629 285 HE3 LYS 37 3HE LYS 37 15.100 15.078 -21.927 286 HZ1 LYS 37 1HZ LYS 37 14.755 13.661 -23.753 287 HZ2 LYS 37 2HZ LYS 37 15.034 15.188 -24.424 288 HZ3 LYS 37 3HZ LYS 37 13.459 14.576 -24.341 289 H ASP 38 H ASP 38 10.690 17.318 -18.085 290 HA ASP 38 HA ASP 38 9.253 16.227 -15.985 291 HB2 ASP 38 2HB ASP 38 7.401 17.432 -16.768 292 HB3 ASP 38 3HB ASP 38 8.777 18.339 -17.390 293 H GLY 39 H GLY 39 7.541 14.728 -15.862 294 HA2 GLY 39 2HA GLY 39 6.130 13.036 -16.751 295 HA3 GLY 39 3HA GLY 39 7.169 12.952 -18.166 296 H ASN 40 H ASN 40 9.405 13.041 -15.931 297 HA ASN 40 HA ASN 40 10.130 10.361 -16.088 298 HB2 ASN 40 2HB ASN 40 11.171 12.719 -14.908 299 HB3 ASN 40 3HB ASN 40 11.158 11.480 -13.657 300 HD21 ASN 40 1HD2 ASN 40 12.414 12.410 -16.761 301 HD22 ASN 40 2HD2 ASN 40 13.690 11.246 -16.818 302 H LYS 41 H LYS 41 10.641 9.164 -13.838 303 HA LYS 41 HA LYS 41 8.038 8.456 -12.808 304 HB2 LYS 41 2HB LYS 41 10.556 7.168 -13.099 305 HB3 LYS 41 3HB LYS 41 10.144 7.146 -11.389 306 HG2 LYS 41 2HG LYS 41 8.424 6.122 -13.638 307 HG3 LYS 41 3HG LYS 41 9.352 5.142 -12.501 308 HD2 LYS 41 2HD LYS 41 7.936 6.580 -10.752 309 HD3 LYS 41 3HD LYS 41 6.812 6.621 -12.113 310 HE2 LYS 41 2HE LYS 41 6.248 4.475 -11.840 311 HE3 LYS 41 3HE LYS 41 7.927 3.973 -11.644 312 HZ1 LYS 41 1HZ LYS 41 6.033 4.913 -9.585 313 HZ2 LYS 41 2HZ LYS 41 7.703 4.982 -9.322 314 HZ3 LYS 41 3HZ LYS 41 6.953 3.493 -9.610 315 H CYS 42 H CYS 42 7.446 8.457 -10.596 316 HA CYS 42 HA CYS 42 9.094 9.972 -8.737 317 HB2 CYS 42 2HB CYS 42 7.595 11.587 -10.020 318 HB3 CYS 42 3HB CYS 42 6.236 10.813 -9.210 319 H THR 43 H THR 43 8.324 9.843 -6.524 320 HA THR 43 HA THR 43 6.340 7.743 -6.023 321 HB THR 43 HB THR 43 8.396 7.420 -4.088 322 HG1 THR 43 HG1 THR 43 9.440 6.927 -6.666 323 HG21 THR 43 1HG2 THR 43 8.547 5.143 -5.278 324 HG22 THR 43 2HG2 THR 43 7.248 5.750 -6.305 325 HG23 THR 43 3HG2 THR 43 7.002 5.602 -4.565 326 H TYR 44 H TYR 44 5.173 7.983 -4.154 327 HA TYR 44 HA TYR 44 5.905 10.190 -2.361 328 HB2 TYR 44 2HB TYR 44 4.288 11.295 -3.609 329 HB3 TYR 44 3HB TYR 44 3.348 9.831 -3.879 330 HD1 TYR 44 HD1 TYR 44 1.326 9.700 -2.788 331 HD2 TYR 44 HD2 TYR 44 4.476 11.922 -0.987 332 HE1 TYR 44 HE1 TYR 44 -0.175 10.319 -0.941 333 HE2 TYR 44 HE2 TYR 44 2.984 12.546 0.866 334 HH TYR 44 HH TYR 44 -0.035 12.592 0.860 335 H ASP 45 H ASP 45 5.934 9.545 -0.320 336 HA ASP 45 HA ASP 45 4.588 7.051 0.403 337 HB2 ASP 45 2HB ASP 45 7.059 7.512 0.901 338 HB3 ASP 45 3HB ASP 45 6.483 8.617 2.145 339 H SER 46 H SER 46 2.654 7.150 1.312 340 HA SER 46 HA SER 46 1.640 9.613 2.408 341 HB2 SER 46 2HB SER 46 -0.456 8.385 2.693 342 HB3 SER 46 3HB SER 46 0.201 8.100 1.082 343 HG SER 46 HG SER 46 -0.546 6.263 2.656 344 H TYR 47 H TYR 47 3.270 6.878 3.616 345 HA TYR 47 HA TYR 47 2.202 6.864 6.257 346 HB2 TYR 47 2HB TYR 47 3.418 4.950 5.163 347 HB3 TYR 47 3HB TYR 47 4.911 5.856 5.376 348 HD1 TYR 47 HD1 TYR 47 5.801 6.265 7.641 349 HD2 TYR 47 HD2 TYR 47 2.366 3.836 7.007 350 HE1 TYR 47 HE1 TYR 47 6.043 5.342 9.907 351 HE2 TYR 47 HE2 TYR 47 2.598 2.907 9.272 352 HH TYR 47 HH TYR 47 3.769 2.911 11.153 353 H ASN 48 H ASN 48 5.067 8.319 4.765 354 HA ASN 48 HA ASN 48 5.534 9.818 7.254 355 HB2 ASN 48 2HB ASN 48 7.719 10.189 5.511 356 HB3 ASN 48 3HB ASN 48 7.676 9.231 6.988 357 HD21 ASN 48 1HD2 ASN 48 8.264 9.161 3.737 358 HD22 ASN 48 2HD2 ASN 48 8.147 7.458 3.469 359 H ARG 49 H ARG 49 4.037 10.161 4.382 360 HA ARG 49 HA ARG 49 3.359 11.918 3.106 361 HB2 ARG 49 2HB ARG 49 4.238 13.645 5.422 362 HB3 ARG 49 3HB ARG 49 3.024 14.023 4.208 363 HG2 ARG 49 2HG ARG 49 1.818 11.918 5.131 364 HG3 ARG 49 3HG ARG 49 2.854 12.168 6.537 365 HD2 ARG 49 2HD ARG 49 1.683 14.657 5.711 366 HD3 ARG 49 3HD ARG 49 0.426 13.442 5.940 367 HE ARG 49 HE ARG 49 2.064 13.253 8.145 368 HH11 ARG 49 1HH1 ARG 49 0.098 15.709 6.654 369 HH12 ARG 49 2HH1 ARG 49 -0.251 16.519 8.145 370 HH21 ARG 49 1HH2 ARG 49 1.612 14.311 10.115 371 HH22 ARG 49 2HH2 ARG 49 0.611 15.724 10.113 372 H LYS 50 H LYS 50 6.184 11.041 3.024 373 HA LYS 50 HA LYS 50 7.448 13.535 2.100 374 HB2 LYS 50 2HB LYS 50 8.878 12.655 3.719 375 HB3 LYS 50 3HB LYS 50 8.563 10.993 3.235 376 HG2 LYS 50 2HG LYS 50 10.160 11.010 1.651 377 HG3 LYS 50 3HG LYS 50 9.843 12.687 1.198 378 HD2 LYS 50 2HD LYS 50 11.494 13.434 2.499 379 HD3 LYS 50 3HD LYS 50 10.926 12.489 3.877 380 HE2 LYS 50 2HE LYS 50 13.044 11.623 3.479 381 HE3 LYS 50 3HE LYS 50 11.985 10.483 2.652 382 HZ1 LYS 50 1HZ LYS 50 13.601 10.882 1.086 383 HZ2 LYS 50 2HZ LYS 50 13.779 12.512 1.503 384 HZ3 LYS 50 3HZ LYS 50 12.422 12.006 0.628 385 H VAL 51 H VAL 51 8.102 13.732 0.023 386 HA VAL 51 HA VAL 51 7.436 11.515 -1.786 387 HB VAL 51 HB VAL 51 7.879 14.423 -2.473 388 HG11 VAL 51 1HG1 VAL 51 8.301 12.688 -4.257 389 HG12 VAL 51 2HG1 VAL 51 6.587 12.284 -4.150 390 HG13 VAL 51 3HG1 VAL 51 7.084 13.904 -4.642 391 HG21 VAL 51 1HG2 VAL 51 5.224 13.033 -2.467 392 HG22 VAL 51 2HG2 VAL 51 5.854 13.793 -1.006 393 HG23 VAL 51 3HG2 VAL 51 5.574 14.761 -2.453 394 H LYS 52 H LYS 52 9.009 10.415 -2.743 395 HA LYS 52 HA LYS 52 11.691 11.631 -2.878 396 HB2 LYS 52 2HB LYS 52 11.599 9.752 -1.303 397 HB3 LYS 52 3HB LYS 52 10.962 8.711 -2.569 398 HG2 LYS 52 2HG LYS 52 13.054 9.035 -3.840 399 HG3 LYS 52 3HG LYS 52 13.690 9.984 -2.494 400 HD2 LYS 52 2HD LYS 52 14.363 8.113 -1.502 401 HD3 LYS 52 3HD LYS 52 12.691 7.551 -1.436 402 HE2 LYS 52 2HE LYS 52 12.908 6.563 -3.639 403 HE3 LYS 52 3HE LYS 52 14.547 7.195 -3.788 404 HZ1 LYS 52 1HZ LYS 52 13.823 4.751 -2.779 405 HZ2 LYS 52 2HZ LYS 52 14.228 5.659 -1.411 406 HZ3 LYS 52 3HZ LYS 52 15.348 5.474 -2.665 407 H CYS 53 H CYS 53 12.665 11.739 -4.813 408 HA CYS 53 HA CYS 53 11.361 10.368 -7.074 409 HB2 CYS 53 2HB CYS 53 12.627 13.094 -6.884 410 HB3 CYS 53 3HB CYS 53 12.409 12.288 -8.434 411 H ASP 54 H ASP 54 12.612 9.272 -8.521 412 HA ASP 54 HA ASP 54 15.522 9.381 -8.232 413 HB2 ASP 54 2HB ASP 54 15.154 7.531 -6.857 414 HB3 ASP 54 3HB ASP 54 13.794 6.962 -7.821 415 H PHE 55 H PHE 55 16.678 8.761 -10.073 416 HA PHE 55 HA PHE 55 15.094 8.817 -12.529 417 HB2 PHE 55 2HB PHE 55 17.548 9.986 -11.748 418 HB3 PHE 55 3HB PHE 55 17.924 8.820 -13.012 419 HD1 PHE 55 HD1 PHE 55 18.318 10.012 -14.943 420 HD2 PHE 55 HD2 PHE 55 14.967 11.030 -12.525 421 HE1 PHE 55 HE1 PHE 55 17.581 11.624 -16.650 422 HE2 PHE 55 HE2 PHE 55 14.224 12.643 -14.228 423 HZ PHE 55 HZ PHE 55 15.531 12.941 -16.294 424 H ARG 56 H ARG 56 16.062 7.502 -14.392 425 HA ARG 56 HA ARG 56 17.303 5.003 -13.639 426 HB2 ARG 56 2HB ARG 56 15.401 3.697 -14.751 427 HB3 ARG 56 3HB ARG 56 15.123 4.301 -13.123 428 HG2 ARG 56 2HG ARG 56 13.677 5.975 -13.861 429 HG3 ARG 56 3HG ARG 56 14.245 5.855 -15.528 430 HD2 ARG 56 2HD ARG 56 12.756 3.669 -14.083 431 HD3 ARG 56 3HD ARG 56 11.988 4.863 -15.128 432 HE ARG 56 HE ARG 56 14.077 3.603 -16.528 433 HH11 ARG 56 1HH1 ARG 56 10.902 2.947 -15.261 434 HH12 ARG 56 2HH1 ARG 56 10.536 1.738 -16.447 435 HH21 ARG 56 1HH2 ARG 56 13.608 2.013 -18.094 436 HH22 ARG 56 2HH2 ARG 56 12.076 1.206 -18.057 437 H HIS 57 H HIS 57 18.122 3.843 -15.406 438 HA HIS 57 HA HIS 57 19.016 3.563 -17.479 439 HB2 HIS 57 2HB HIS 57 16.318 4.299 -17.909 440 HB3 HIS 57 3HB HIS 57 17.279 5.194 -19.083 441 HD1 HIS 57 HD1 HIS 57 18.766 3.725 -20.725 442 HD2 HIS 57 HD2 HIS 57 15.988 1.629 -18.455 443 HE1 HIS 57 HE1 HIS 57 18.556 1.476 -21.830 Start of MODEL 18 1 H1 LEU 1 H LEU 1 5.731 -1.778 -1.808 2 HA LEU 1 HA LEU 1 3.974 -1.518 -3.447 3 HB2 LEU 1 2HB LEU 1 2.443 -2.086 -1.044 4 HB3 LEU 1 3HB LEU 1 1.769 -0.744 -1.966 5 HG LEU 1 HG LEU 1 2.430 -3.131 -3.552 6 HD11 LEU 1 1HD1 LEU 1 0.391 -4.323 -2.822 7 HD12 LEU 1 2HD1 LEU 1 0.244 -3.192 -1.477 8 HD13 LEU 1 3HD1 LEU 1 1.641 -4.264 -1.579 9 HD21 LEU 1 1HD2 LEU 1 1.286 -1.549 -4.758 10 HD22 LEU 1 2HD2 LEU 1 0.298 -1.054 -3.383 11 HD23 LEU 1 3HD2 LEU 1 -0.044 -2.572 -4.213 12 H GLU 2 H GLU 2 2.558 0.529 -3.804 13 HA GLU 2 HA GLU 2 2.880 2.819 -2.238 14 HB2 GLU 2 2HB GLU 2 5.209 2.126 -3.785 15 HB3 GLU 2 3HB GLU 2 4.544 3.651 -4.352 16 HG2 GLU 2 2HG GLU 2 5.518 4.683 -2.664 17 HG3 GLU 2 3HG GLU 2 4.531 3.753 -1.538 18 H TYR 3 H TYR 3 2.508 4.876 -3.608 19 HA TYR 3 HA TYR 3 0.314 4.274 -5.417 20 HB2 TYR 3 2HB TYR 3 1.271 6.756 -4.023 21 HB3 TYR 3 3HB TYR 3 0.121 6.864 -5.351 22 HD1 TYR 3 HD1 TYR 3 -2.021 5.408 -5.137 23 HD2 TYR 3 HD2 TYR 3 0.499 6.410 -1.859 24 HE1 TYR 3 HE1 TYR 3 -3.868 4.940 -3.582 25 HE2 TYR 3 HE2 TYR 3 -1.341 5.944 -0.294 26 HH TYR 3 HH TYR 3 -4.462 4.719 -1.442 27 H LYS 4 H LYS 4 0.189 4.902 -7.550 28 HA LYS 4 HA LYS 4 2.721 5.218 -8.905 29 HB2 LYS 4 2HB LYS 4 -0.106 4.986 -9.949 30 HB3 LYS 4 3HB LYS 4 1.323 5.073 -10.971 31 HG2 LYS 4 2HG LYS 4 0.664 2.905 -8.989 32 HG3 LYS 4 3HG LYS 4 0.608 2.784 -10.749 33 HD2 LYS 4 2HD LYS 4 2.680 1.929 -10.497 34 HD3 LYS 4 3HD LYS 4 3.151 3.627 -10.395 35 HE2 LYS 4 2HE LYS 4 3.768 3.417 -8.262 36 HE3 LYS 4 3HE LYS 4 2.271 2.591 -7.835 37 HZ1 LYS 4 1HZ LYS 4 4.848 1.501 -8.210 38 HZ2 LYS 4 2HZ LYS 4 3.775 0.792 -9.308 39 HZ3 LYS 4 3HZ LYS 4 3.445 0.740 -7.650 40 H GLY 5 H GLY 5 3.606 7.175 -9.052 41 HA2 GLY 5 2HA GLY 5 1.860 9.417 -9.840 42 HA3 GLY 5 3HA GLY 5 3.029 9.612 -8.543 43 H GLU 6 H GLU 6 2.916 11.158 -10.936 44 HA GLU 6 HA GLU 6 5.363 10.283 -12.319 45 HB2 GLU 6 2HB GLU 6 3.467 12.384 -13.339 46 HB3 GLU 6 3HB GLU 6 4.663 11.462 -14.239 47 HG2 GLU 6 2HG GLU 6 2.077 10.442 -13.093 48 HG3 GLU 6 3HG GLU 6 2.475 10.667 -14.795 49 H CYS 7 H CYS 7 6.699 12.171 -13.167 50 HA CYS 7 HA CYS 7 6.869 14.253 -11.087 51 HB2 CYS 7 2HB CYS 7 9.066 13.854 -10.806 52 HB3 CYS 7 3HB CYS 7 8.756 12.324 -11.620 53 H PHE 8 H PHE 8 8.017 16.250 -11.833 54 HA PHE 8 HA PHE 8 7.159 16.899 -14.571 55 HB2 PHE 8 2HB PHE 8 6.889 18.270 -12.043 56 HB3 PHE 8 3HB PHE 8 7.739 19.284 -13.205 57 HD1 PHE 8 HD1 PHE 8 4.580 17.738 -12.309 58 HD2 PHE 8 HD2 PHE 8 6.649 19.955 -15.296 59 HE1 PHE 8 HE1 PHE 8 2.432 18.330 -13.353 60 HE2 PHE 8 HE2 PHE 8 4.505 20.551 -16.344 61 HZ PHE 8 HZ PHE 8 2.392 19.739 -15.372 62 H THR 9 H THR 9 8.485 18.820 -15.491 63 HA THR 9 HA THR 9 11.017 17.967 -16.136 64 HB THR 9 HB THR 9 11.087 20.813 -16.187 65 HG1 THR 9 HG1 THR 9 9.103 21.322 -17.017 66 HG21 THR 9 1HG2 THR 9 11.606 20.441 -18.349 67 HG22 THR 9 2HG2 THR 9 10.205 19.402 -18.610 68 HG23 THR 9 3HG2 THR 9 11.661 18.747 -17.862 69 H LYS 10 H LYS 10 12.962 19.701 -15.757 70 HA LYS 10 HA LYS 10 13.985 19.148 -13.237 71 HB2 LYS 10 2HB LYS 10 14.899 20.398 -15.556 72 HB3 LYS 10 3HB LYS 10 15.044 21.631 -14.311 73 HG2 LYS 10 2HG LYS 10 16.987 20.697 -13.787 74 HG3 LYS 10 3HG LYS 10 16.056 19.362 -13.104 75 HD2 LYS 10 2HD LYS 10 17.043 18.026 -14.587 76 HD3 LYS 10 3HD LYS 10 16.138 18.865 -15.850 77 HE2 LYS 10 2HE LYS 10 18.088 20.602 -15.667 78 HE3 LYS 10 3HE LYS 10 18.962 19.245 -14.957 79 HZ1 LYS 10 1HZ LYS 10 18.093 19.661 -17.699 80 HZ2 LYS 10 2HZ LYS 10 17.937 18.083 -17.110 81 HZ3 LYS 10 3HZ LYS 10 19.449 18.842 -17.104 82 H ASP 11 H ASP 11 11.431 21.100 -13.878 83 HA ASP 11 HA ASP 11 11.911 23.332 -12.199 84 HB2 ASP 11 2HB ASP 11 9.446 22.073 -13.361 85 HB3 ASP 11 3HB ASP 11 9.307 23.374 -12.183 86 H ASN 12 H ASN 12 11.678 20.138 -11.424 87 HA ASN 12 HA ASN 12 11.445 18.998 -9.470 88 HB2 ASN 12 2HB ASN 12 12.526 21.453 -8.758 89 HB3 ASN 12 3HB ASN 12 11.154 21.273 -7.669 90 HD21 ASN 12 1HD2 ASN 12 13.249 18.789 -9.044 91 HD22 ASN 12 2HD2 ASN 12 13.854 18.211 -7.533 92 H THR 13 H THR 13 9.419 18.155 -9.867 93 HA THR 13 HA THR 13 7.340 18.968 -8.098 94 HB THR 13 HB THR 13 5.929 19.049 -10.540 95 HG1 THR 13 HG1 THR 13 6.963 20.929 -11.478 96 HG21 THR 13 1HG2 THR 13 5.279 20.164 -8.464 97 HG22 THR 13 2HG2 THR 13 5.342 21.315 -9.799 98 HG23 THR 13 3HG2 THR 13 6.649 21.263 -8.616 99 H CYS 14 H CYS 14 5.505 17.523 -8.144 100 HA CYS 14 HA CYS 14 5.684 15.178 -9.849 101 HB2 CYS 14 2HB CYS 14 6.372 15.184 -6.962 102 HB3 CYS 14 3HB CYS 14 5.365 13.856 -7.528 103 H LYS 15 H LYS 15 3.752 14.091 -10.076 104 HA LYS 15 HA LYS 15 1.454 15.215 -8.612 105 HB2 LYS 15 2HB LYS 15 1.628 15.917 -11.032 106 HB3 LYS 15 3HB LYS 15 1.394 14.229 -11.466 107 HG2 LYS 15 2HG LYS 15 -0.808 14.296 -11.055 108 HG3 LYS 15 3HG LYS 15 -0.615 15.312 -9.625 109 HD2 LYS 15 2HD LYS 15 0.071 17.056 -11.579 110 HD3 LYS 15 3HD LYS 15 -1.110 16.058 -12.431 111 HE2 LYS 15 2HE LYS 15 -2.738 16.466 -10.655 112 HE3 LYS 15 3HE LYS 15 -1.556 17.446 -9.788 113 HZ1 LYS 15 1HZ LYS 15 -2.026 18.245 -12.528 114 HZ2 LYS 15 2HZ LYS 15 -1.899 19.189 -11.130 115 HZ3 LYS 15 3HZ LYS 15 -3.362 18.426 -11.504 116 H TYR 16 H TYR 16 0.722 13.713 -7.262 117 HA TYR 16 HA TYR 16 0.631 10.918 -8.193 118 HB2 TYR 16 2HB TYR 16 0.954 10.177 -5.955 119 HB3 TYR 16 3HB TYR 16 2.155 11.433 -6.235 120 HD1 TYR 16 HD1 TYR 16 1.432 13.852 -5.499 121 HD2 TYR 16 HD2 TYR 16 -0.336 10.269 -4.035 122 HE1 TYR 16 HE1 TYR 16 0.631 15.065 -3.516 123 HE2 TYR 16 HE2 TYR 16 -1.143 11.473 -2.048 124 HH TYR 16 HH TYR 16 -0.943 13.390 -0.849 125 H LYS 17 H LYS 17 -1.208 9.685 -7.728 126 HA LYS 17 HA LYS 17 -3.589 11.270 -7.017 127 HB2 LYS 17 2HB LYS 17 -3.689 10.562 -9.324 128 HB3 LYS 17 3HB LYS 17 -3.314 8.903 -8.876 129 HG2 LYS 17 2HG LYS 17 -5.430 8.639 -7.803 130 HG3 LYS 17 3HG LYS 17 -5.794 10.356 -7.987 131 HD2 LYS 17 2HD LYS 17 -5.198 8.756 -10.428 132 HD3 LYS 17 3HD LYS 17 -6.772 8.559 -9.653 133 HE2 LYS 17 2HE LYS 17 -7.430 10.696 -10.140 134 HE3 LYS 17 3HE LYS 17 -5.782 11.320 -10.139 135 HZ1 LYS 17 1HZ LYS 17 -6.457 9.411 -12.233 136 HZ2 LYS 17 2HZ LYS 17 -5.481 10.791 -12.300 137 HZ3 LYS 17 3HZ LYS 17 -7.165 10.943 -12.354 138 H ILE 18 H ILE 18 -4.942 10.534 -5.459 139 HA ILE 18 HA ILE 18 -4.333 7.912 -4.262 140 HB ILE 18 HB ILE 18 -5.123 10.383 -2.718 141 HG12 ILE 18 2HG1 ILE 18 -2.845 10.580 -3.632 142 HG13 ILE 18 3HG1 ILE 18 -2.823 10.402 -1.881 143 HG21 ILE 18 1HG2 ILE 18 -4.160 8.754 -0.863 144 HG22 ILE 18 2HG2 ILE 18 -5.848 8.698 -1.369 145 HG23 ILE 18 3HG2 ILE 18 -4.695 7.532 -2.017 146 HD11 ILE 18 1HD1 ILE 18 -1.329 8.797 -2.183 147 HD12 ILE 18 2HD1 ILE 18 -2.639 7.810 -2.832 148 HD13 ILE 18 3HD1 ILE 18 -1.624 8.755 -3.921 149 H ASP 19 H ASP 19 -6.073 6.775 -3.362 150 HA ASP 19 HA ASP 19 -8.467 6.800 -4.702 151 HB2 ASP 19 2HB ASP 19 -7.828 5.835 -1.914 152 HB3 ASP 19 3HB ASP 19 -9.379 5.542 -2.695 153 H GLY 20 H GLY 20 -10.005 8.286 -4.842 154 HA2 GLY 20 2HA GLY 20 -11.827 9.416 -3.685 155 HA3 GLY 20 3HA GLY 20 -10.685 9.818 -2.411 156 H LYS 21 H LYS 21 -8.936 11.319 -2.962 157 HA LYS 21 HA LYS 21 -9.666 13.140 -5.158 158 HB2 LYS 21 2HB LYS 21 -9.008 13.789 -2.296 159 HB3 LYS 21 3HB LYS 21 -8.771 14.974 -3.573 160 HG2 LYS 21 2HG LYS 21 -11.386 13.624 -2.936 161 HG3 LYS 21 3HG LYS 21 -10.916 15.240 -2.404 162 HD2 LYS 21 2HD LYS 21 -11.214 14.328 -5.266 163 HD3 LYS 21 3HD LYS 21 -12.348 15.349 -4.378 164 HE2 LYS 21 2HE LYS 21 -9.503 16.012 -5.123 165 HE3 LYS 21 3HE LYS 21 -10.969 16.733 -5.786 166 HZ1 LYS 21 1HZ LYS 21 -9.989 18.185 -4.152 167 HZ2 LYS 21 2HZ LYS 21 -10.017 16.963 -2.982 168 HZ3 LYS 21 3HZ LYS 21 -11.468 17.605 -3.569 169 H THR 22 H THR 22 -7.952 14.284 -6.131 170 HA THR 22 HA THR 22 -5.359 12.955 -5.827 171 HB THR 22 HB THR 22 -6.392 14.735 -8.043 172 HG1 THR 22 HG1 THR 22 -7.299 12.853 -8.500 173 HG21 THR 22 1HG2 THR 22 -4.246 13.468 -9.087 174 HG22 THR 22 2HG2 THR 22 -3.711 13.675 -7.419 175 HG23 THR 22 3HG2 THR 22 -4.181 15.080 -8.375 176 H TYR 23 H TYR 23 -3.480 14.045 -5.387 177 HA TYR 23 HA TYR 23 -3.688 16.930 -4.856 178 HB2 TYR 23 2HB TYR 23 -2.032 15.174 -3.078 179 HB3 TYR 23 3HB TYR 23 -2.707 16.766 -2.750 180 HD1 TYR 23 HD1 TYR 23 -4.896 17.013 -1.835 181 HD2 TYR 23 HD2 TYR 23 -3.499 13.171 -3.014 182 HE1 TYR 23 HE1 TYR 23 -6.801 15.973 -0.679 183 HE2 TYR 23 HE2 TYR 23 -5.401 12.120 -1.862 184 HH TYR 23 HH TYR 23 -7.667 14.026 0.060 185 H LEU 24 H LEU 24 -1.442 17.902 -4.533 186 HA LEU 24 HA LEU 24 0.277 16.884 -6.675 187 HB2 LEU 24 2HB LEU 24 -0.631 19.310 -6.486 188 HB3 LEU 24 3HB LEU 24 0.655 19.513 -5.298 189 HG LEU 24 HG LEU 24 1.159 20.285 -7.652 190 HD11 LEU 24 1HD1 LEU 24 2.757 18.941 -5.742 191 HD12 LEU 24 2HD1 LEU 24 3.247 20.151 -6.928 192 HD13 LEU 24 3HD1 LEU 24 3.298 18.438 -7.344 193 HD21 LEU 24 1HD2 LEU 24 0.083 18.326 -8.753 194 HD22 LEU 24 2HD2 LEU 24 1.420 17.328 -8.180 195 HD23 LEU 24 3HD2 LEU 24 1.725 18.650 -9.307 196 H ALA 25 H ALA 25 2.439 16.438 -6.384 197 HA ALA 25 HA ALA 25 3.383 16.391 -3.591 198 HB1 ALA 25 1HB ALA 25 3.284 14.159 -3.906 199 HB2 ALA 25 2HB ALA 25 3.367 14.292 -5.663 200 HB3 ALA 25 3HB ALA 25 4.838 14.422 -4.698 201 H LYS 26 H LYS 26 5.618 16.730 -3.238 202 HA LYS 26 HA LYS 26 6.953 18.155 -5.444 203 HB2 LYS 26 2HB LYS 26 6.282 19.207 -3.055 204 HB3 LYS 26 3HB LYS 26 7.873 18.572 -2.657 205 HG2 LYS 26 2HG LYS 26 7.397 20.343 -5.034 206 HG3 LYS 26 3HG LYS 26 7.764 20.978 -3.428 207 HD2 LYS 26 2HD LYS 26 9.670 18.990 -3.874 208 HD3 LYS 26 3HD LYS 26 9.534 19.846 -5.412 209 HE2 LYS 26 2HE LYS 26 11.106 21.139 -4.370 210 HE3 LYS 26 3HE LYS 26 9.637 21.967 -3.857 211 HZ1 LYS 26 1HZ LYS 26 10.953 19.859 -2.242 212 HZ2 LYS 26 2HZ LYS 26 9.733 20.923 -1.754 213 HZ3 LYS 26 3HZ LYS 26 11.291 21.507 -2.060 214 H CYS 27 H CYS 27 9.119 17.768 -5.866 215 HA CYS 27 HA CYS 27 10.209 15.332 -4.619 216 HB2 CYS 27 2HB CYS 27 10.226 16.365 -7.407 217 HB3 CYS 27 3HB CYS 27 11.666 15.514 -6.859 218 HA PRO 28 HA PRO 28 13.752 17.455 -3.143 219 HB2 PRO 28 2HB PRO 28 15.765 15.712 -3.673 220 HB3 PRO 28 3HB PRO 28 14.556 15.430 -2.415 221 HG2 PRO 28 2HG PRO 28 14.686 14.333 -5.197 222 HG3 PRO 28 3HG PRO 28 14.278 13.502 -3.685 223 HD2 PRO 28 2HD PRO 28 12.394 14.343 -5.439 224 HD3 PRO 28 3HD PRO 28 12.113 14.294 -3.687 225 H SER 29 H SER 29 15.557 18.693 -3.730 226 HA SER 29 HA SER 29 15.665 19.390 -6.529 227 HB2 SER 29 2HB SER 29 17.562 20.953 -5.477 228 HB3 SER 29 3HB SER 29 15.847 21.329 -5.319 229 HG SER 29 HG SER 29 17.608 20.227 -3.417 230 H ALA 30 H ALA 30 17.283 17.221 -4.522 231 HA ALA 30 HA ALA 30 19.919 17.267 -5.305 232 HB1 ALA 30 1HB ALA 30 19.895 15.521 -3.937 233 HB2 ALA 30 2HB ALA 30 18.144 15.369 -4.097 234 HB3 ALA 30 3HB ALA 30 19.209 14.551 -5.240 235 H ALA 31 H ALA 31 20.940 17.059 -7.181 236 HA ALA 31 HA ALA 31 19.698 16.790 -9.639 237 HB1 ALA 31 1HB ALA 31 21.813 16.776 -10.593 238 HB2 ALA 31 2HB ALA 31 22.085 17.581 -9.047 239 HB3 ALA 31 3HB ALA 31 22.524 15.885 -9.247 240 H ASN 32 H ASN 32 21.116 14.307 -7.570 241 HA ASN 32 HA ASN 32 20.924 12.179 -9.422 242 HB2 ASN 32 2HB ASN 32 20.857 11.991 -6.404 243 HB3 ASN 32 3HB ASN 32 21.319 10.720 -7.532 244 HD21 ASN 32 1HD2 ASN 32 23.172 11.305 -8.993 245 HD22 ASN 32 2HD2 ASN 32 24.491 12.157 -8.273 246 H THR 33 H THR 33 18.605 13.769 -7.438 247 HA THR 33 HA THR 33 16.619 11.685 -8.077 248 HB THR 33 HB THR 33 15.313 12.611 -6.121 249 HG1 THR 33 HG1 THR 33 16.565 14.588 -5.978 250 HG21 THR 33 1HG2 THR 33 17.240 10.669 -6.213 251 HG22 THR 33 2HG2 THR 33 16.167 10.969 -4.845 252 HG23 THR 33 3HG2 THR 33 17.786 11.668 -4.866 253 H LYS 34 H LYS 34 17.575 14.260 -9.460 254 HA LYS 34 HA LYS 34 15.138 15.848 -9.474 255 HB2 LYS 34 2HB LYS 34 17.891 16.161 -10.582 256 HB3 LYS 34 3HB LYS 34 16.580 17.044 -11.352 257 HG2 LYS 34 2HG LYS 34 16.155 17.567 -8.701 258 HG3 LYS 34 3HG LYS 34 17.917 17.512 -8.805 259 HD2 LYS 34 2HD LYS 34 17.877 19.582 -9.618 260 HD3 LYS 34 3HD LYS 34 17.051 18.960 -11.049 261 HE2 LYS 34 2HE LYS 34 14.926 19.448 -10.156 262 HE3 LYS 34 3HE LYS 34 15.574 19.686 -8.534 263 HZ1 LYS 34 1HZ LYS 34 16.379 21.428 -10.780 264 HZ2 LYS 34 2HZ LYS 34 16.487 21.730 -9.119 265 HZ3 LYS 34 3HZ LYS 34 14.979 21.742 -9.885 266 H CYS 35 H CYS 35 14.496 16.616 -11.807 267 HA CYS 35 HA CYS 35 14.251 14.214 -13.498 268 HB2 CYS 35 2HB CYS 35 12.215 16.382 -12.954 269 HB3 CYS 35 3HB CYS 35 12.036 15.161 -14.210 270 H GLU 36 H GLU 36 14.912 14.395 -15.543 271 HA GLU 36 HA GLU 36 15.872 16.984 -16.465 272 HB2 GLU 36 2HB GLU 36 17.135 15.819 -18.067 273 HB3 GLU 36 3HB GLU 36 17.191 14.799 -16.636 274 HG2 GLU 36 2HG GLU 36 15.158 13.608 -17.718 275 HG3 GLU 36 3HG GLU 36 15.721 14.380 -19.199 276 H LYS 37 H LYS 37 13.271 14.775 -17.017 277 HA LYS 37 HA LYS 37 12.130 16.635 -18.964 278 HB2 LYS 37 2HB LYS 37 13.341 14.515 -19.985 279 HB3 LYS 37 3HB LYS 37 11.843 13.716 -19.526 280 HG2 LYS 37 2HG LYS 37 10.625 15.490 -20.828 281 HG3 LYS 37 3HG LYS 37 12.199 16.007 -21.438 282 HD2 LYS 37 2HD LYS 37 12.552 13.970 -22.559 283 HD3 LYS 37 3HD LYS 37 11.266 13.159 -21.662 284 HE2 LYS 37 2HE LYS 37 10.209 15.440 -23.045 285 HE3 LYS 37 3HE LYS 37 11.097 14.416 -24.172 286 HZ1 LYS 37 1HZ LYS 37 9.679 12.617 -22.764 287 HZ2 LYS 37 2HZ LYS 37 9.200 13.263 -24.251 288 HZ3 LYS 37 3HZ LYS 37 8.603 13.921 -22.812 289 H ASP 38 H ASP 38 10.081 17.085 -18.493 290 HA ASP 38 HA ASP 38 8.765 16.084 -16.253 291 HB2 ASP 38 2HB ASP 38 6.952 17.424 -16.866 292 HB3 ASP 38 3HB ASP 38 8.317 18.232 -17.631 293 H GLY 39 H GLY 39 7.008 14.672 -15.987 294 HA2 GLY 39 2HA GLY 39 5.426 13.074 -16.749 295 HA3 GLY 39 3HA GLY 39 6.307 12.966 -18.266 296 H ASN 40 H ASN 40 8.729 12.900 -16.189 297 HA ASN 40 HA ASN 40 9.337 10.205 -16.503 298 HB2 ASN 40 2HB ASN 40 10.568 12.462 -15.352 299 HB3 ASN 40 3HB ASN 40 10.542 11.232 -14.092 300 HD21 ASN 40 1HD2 ASN 40 11.640 12.014 -17.311 301 HD22 ASN 40 2HD2 ASN 40 12.867 10.800 -17.398 302 H LYS 41 H LYS 41 9.948 8.897 -14.340 303 HA LYS 41 HA LYS 41 7.399 8.213 -13.184 304 HB2 LYS 41 2HB LYS 41 9.873 6.894 -13.642 305 HB3 LYS 41 3HB LYS 41 9.561 6.837 -11.912 306 HG2 LYS 41 2HG LYS 41 7.667 5.916 -14.066 307 HG3 LYS 41 3HG LYS 41 8.680 4.874 -13.065 308 HD2 LYS 41 2HD LYS 41 7.419 6.290 -11.150 309 HD3 LYS 41 3HD LYS 41 6.178 6.296 -12.406 310 HE2 LYS 41 2HE LYS 41 5.643 4.191 -11.941 311 HE3 LYS 41 3HE LYS 41 7.311 3.676 -12.192 312 HZ1 LYS 41 1HZ LYS 41 6.032 3.518 -9.854 313 HZ2 LYS 41 2HZ LYS 41 6.796 5.016 -9.676 314 HZ3 LYS 41 3HZ LYS 41 7.714 3.632 -9.999 315 H CYS 42 H CYS 42 6.915 8.162 -10.947 316 HA CYS 42 HA CYS 42 8.681 9.545 -9.106 317 HB2 CYS 42 2HB CYS 42 7.257 11.289 -10.309 318 HB3 CYS 42 3HB CYS 42 5.875 10.588 -9.473 319 H THR 43 H THR 43 7.962 9.396 -6.879 320 HA THR 43 HA THR 43 5.851 7.422 -6.386 321 HB THR 43 HB THR 43 8.040 6.985 -4.558 322 HG1 THR 43 HG1 THR 43 9.256 5.883 -6.430 323 HG21 THR 43 1HG2 THR 43 6.274 5.385 -4.844 324 HG22 THR 43 2HG2 THR 43 7.774 4.648 -5.409 325 HG23 THR 43 3HG2 THR 43 6.600 5.262 -6.573 326 H TYR 44 H TYR 44 4.755 7.676 -4.475 327 HA TYR 44 HA TYR 44 5.674 9.782 -2.646 328 HB2 TYR 44 2HB TYR 44 4.091 11.014 -3.820 329 HB3 TYR 44 3HB TYR 44 3.053 9.619 -4.089 330 HD1 TYR 44 HD1 TYR 44 3.970 12.284 -1.761 331 HD2 TYR 44 HD2 TYR 44 1.502 8.871 -2.362 332 HE1 TYR 44 HE1 TYR 44 2.581 12.958 0.154 333 HE2 TYR 44 HE2 TYR 44 0.105 9.537 -0.450 334 HH TYR 44 HH TYR 44 1.019 11.686 1.833 335 H ASP 45 H ASP 45 5.551 9.231 -0.566 336 HA ASP 45 HA ASP 45 4.246 6.703 0.115 337 HB2 ASP 45 2HB ASP 45 6.685 7.288 0.720 338 HB3 ASP 45 3HB ASP 45 5.985 8.323 1.962 339 H SER 46 H SER 46 2.336 6.674 1.083 340 HA SER 46 HA SER 46 1.151 9.130 2.040 341 HB2 SER 46 2HB SER 46 -0.831 7.583 2.496 342 HB3 SER 46 3HB SER 46 -0.330 7.741 0.813 343 HG SER 46 HG SER 46 -0.636 5.526 2.065 344 H TYR 47 H TYR 47 2.980 6.626 3.372 345 HA TYR 47 HA TYR 47 1.812 6.668 6.003 346 HB2 TYR 47 2HB TYR 47 2.994 4.680 5.034 347 HB3 TYR 47 3HB TYR 47 4.504 5.574 5.168 348 HD1 TYR 47 HD1 TYR 47 5.687 5.650 7.205 349 HD2 TYR 47 HD2 TYR 47 1.704 4.156 7.143 350 HE1 TYR 47 HE1 TYR 47 5.952 4.863 9.520 351 HE2 TYR 47 HE2 TYR 47 1.957 3.366 9.458 352 HH TYR 47 HH TYR 47 4.921 3.108 10.997 353 H ASN 48 H ASN 48 4.708 8.007 4.463 354 HA ASN 48 HA ASN 48 5.176 9.624 6.877 355 HB2 ASN 48 2HB ASN 48 7.388 9.877 5.158 356 HB3 ASN 48 3HB ASN 48 7.307 8.973 6.667 357 HD21 ASN 48 1HD2 ASN 48 7.920 8.781 3.420 358 HD22 ASN 48 2HD2 ASN 48 7.784 7.071 3.214 359 H ARG 49 H ARG 49 3.715 9.839 3.974 360 HA ARG 49 HA ARG 49 3.102 11.532 2.582 361 HB2 ARG 49 2HB ARG 49 3.882 13.302 4.904 362 HB3 ARG 49 3HB ARG 49 2.801 13.723 3.583 363 HG2 ARG 49 2HG ARG 49 1.624 11.471 4.575 364 HG3 ARG 49 3HG ARG 49 2.283 12.220 6.031 365 HD2 ARG 49 2HD ARG 49 1.181 14.343 5.374 366 HD3 ARG 49 3HD ARG 49 0.447 13.500 4.010 367 HE ARG 49 HE ARG 49 -0.207 12.072 6.298 368 HH11 ARG 49 1HH1 ARG 49 -0.775 15.239 4.969 369 HH12 ARG 49 2HH1 ARG 49 -2.309 15.434 5.751 370 HH21 ARG 49 1HH2 ARG 49 -2.224 12.317 7.333 371 HH22 ARG 49 2HH2 ARG 49 -3.132 13.772 7.096 372 H LYS 50 H LYS 50 5.910 10.646 2.602 373 HA LYS 50 HA LYS 50 7.222 13.102 1.641 374 HB2 LYS 50 2HB LYS 50 8.623 12.283 3.301 375 HB3 LYS 50 3HB LYS 50 8.267 10.604 2.918 376 HG2 LYS 50 2HG LYS 50 9.789 10.525 1.207 377 HG3 LYS 50 3HG LYS 50 9.705 12.263 0.907 378 HD2 LYS 50 2HD LYS 50 11.673 12.322 1.992 379 HD3 LYS 50 3HD LYS 50 10.682 12.198 3.448 380 HE2 LYS 50 2HE LYS 50 11.216 10.004 3.789 381 HE3 LYS 50 3HE LYS 50 11.446 9.680 2.071 382 HZ1 LYS 50 1HZ LYS 50 13.316 11.145 3.852 383 HZ2 LYS 50 2HZ LYS 50 13.527 10.955 2.185 384 HZ3 LYS 50 3HZ LYS 50 13.549 9.602 3.199 385 H VAL 51 H VAL 51 8.118 13.170 -0.387 386 HA VAL 51 HA VAL 51 7.272 11.038 -2.208 387 HB VAL 51 HB VAL 51 8.333 13.778 -2.904 388 HG11 VAL 51 1HG1 VAL 51 8.469 11.879 -4.599 389 HG12 VAL 51 2HG1 VAL 51 6.706 11.946 -4.641 390 HG13 VAL 51 3HG1 VAL 51 7.655 13.357 -5.111 391 HG21 VAL 51 1HG2 VAL 51 6.097 14.522 -3.166 392 HG22 VAL 51 2HG2 VAL 51 5.455 12.896 -2.936 393 HG23 VAL 51 3HG2 VAL 51 6.184 13.755 -1.580 394 H LYS 52 H LYS 52 8.674 9.699 -3.150 395 HA LYS 52 HA LYS 52 11.547 10.315 -2.918 396 HB2 LYS 52 2HB LYS 52 10.974 8.417 -1.535 397 HB3 LYS 52 3HB LYS 52 10.135 7.643 -2.873 398 HG2 LYS 52 2HG LYS 52 12.214 7.338 -4.057 399 HG3 LYS 52 3HG LYS 52 13.089 8.224 -2.806 400 HD2 LYS 52 2HD LYS 52 11.496 5.988 -1.790 401 HD3 LYS 52 3HD LYS 52 12.782 5.507 -2.898 402 HE2 LYS 52 2HE LYS 52 14.447 6.274 -1.510 403 HE3 LYS 52 3HE LYS 52 13.398 7.456 -0.729 404 HZ1 LYS 52 1HZ LYS 52 13.394 4.519 -0.307 405 HZ2 LYS 52 2HZ LYS 52 12.238 5.569 0.340 406 HZ3 LYS 52 3HZ LYS 52 13.859 5.706 0.805 407 H CYS 53 H CYS 53 12.474 10.770 -4.793 408 HA CYS 53 HA CYS 53 11.484 9.421 -7.219 409 HB2 CYS 53 2HB CYS 53 12.752 12.137 -7.324 410 HB3 CYS 53 3HB CYS 53 11.658 11.377 -8.475 411 H ASP 54 H ASP 54 12.984 8.631 -8.639 412 HA ASP 54 HA ASP 54 15.819 9.108 -8.076 413 HB2 ASP 54 2HB ASP 54 15.684 7.100 -6.941 414 HB3 ASP 54 3HB ASP 54 14.391 6.486 -7.968 415 H PHE 55 H PHE 55 17.201 8.835 -9.844 416 HA PHE 55 HA PHE 55 15.857 8.431 -12.434 417 HB2 PHE 55 2HB PHE 55 17.291 10.736 -11.459 418 HB3 PHE 55 3HB PHE 55 18.099 10.074 -12.876 419 HD1 PHE 55 HD1 PHE 55 17.587 11.369 -14.700 420 HD2 PHE 55 HD2 PHE 55 14.500 10.368 -11.947 421 HE1 PHE 55 HE1 PHE 55 15.937 12.470 -16.156 422 HE2 PHE 55 HE2 PHE 55 12.844 11.466 -13.399 423 HZ PHE 55 HZ PHE 55 13.562 12.518 -15.506 424 H ARG 56 H ARG 56 17.052 7.421 -14.070 425 HA ARG 56 HA ARG 56 19.730 6.465 -13.483 426 HB2 ARG 56 2HB ARG 56 17.316 4.745 -13.421 427 HB3 ARG 56 3HB ARG 56 18.711 4.102 -14.275 428 HG2 ARG 56 2HG ARG 56 20.026 4.707 -12.148 429 HG3 ARG 56 3HG ARG 56 18.439 4.811 -11.382 430 HD2 ARG 56 2HD ARG 56 17.955 2.527 -11.952 431 HD3 ARG 56 3HD ARG 56 19.434 2.408 -12.904 432 HE ARG 56 HE ARG 56 20.014 3.108 -10.218 433 HH11 ARG 56 1HH1 ARG 56 19.074 0.425 -12.228 434 HH12 ARG 56 2HH1 ARG 56 19.780 -0.769 -11.190 435 HH21 ARG 56 1HH2 ARG 56 20.947 1.545 -8.843 436 HH22 ARG 56 2HH2 ARG 56 20.844 -0.131 -9.264 437 H HIS 57 H HIS 57 20.857 5.738 -15.315 438 HA HIS 57 HA HIS 57 21.475 5.842 -17.505 439 HB2 HIS 57 2HB HIS 57 20.145 3.940 -17.883 440 HB3 HIS 57 3HB HIS 57 18.644 4.840 -17.686 441 HD1 HIS 57 HD1 HIS 57 21.049 3.714 -20.211 442 HD2 HIS 57 HD2 HIS 57 18.010 6.534 -19.945 443 HE1 HIS 57 HE1 HIS 57 20.522 4.360 -22.583 Start of MODEL 19 1 H1 LEU 1 H LEU 1 3.557 -1.011 -4.362 2 HA LEU 1 HA LEU 1 1.147 -1.496 -3.262 3 HB2 LEU 1 2HB LEU 1 3.080 -2.252 -1.386 4 HB3 LEU 1 3HB LEU 1 2.429 -0.722 -0.801 5 HG LEU 1 HG LEU 1 0.630 -3.003 -1.561 6 HD11 LEU 1 1HD1 LEU 1 0.658 -3.188 1.100 7 HD12 LEU 1 2HD1 LEU 1 2.332 -2.700 0.838 8 HD13 LEU 1 3HD1 LEU 1 1.706 -4.155 0.063 9 HD21 LEU 1 1HD2 LEU 1 -0.590 -1.026 -1.318 10 HD22 LEU 1 2HD2 LEU 1 0.382 -0.484 0.050 11 HD23 LEU 1 3HD2 LEU 1 -0.750 -1.823 0.247 12 H GLU 2 H GLU 2 3.983 0.521 -3.205 13 HA GLU 2 HA GLU 2 2.986 2.886 -2.172 14 HB2 GLU 2 2HB GLU 2 5.151 2.157 -4.050 15 HB3 GLU 2 3HB GLU 2 4.613 3.829 -4.117 16 HG2 GLU 2 2HG GLU 2 6.226 4.041 -2.547 17 HG3 GLU 2 3HG GLU 2 4.874 3.632 -1.492 18 H TYR 3 H TYR 3 2.557 4.917 -3.485 19 HA TYR 3 HA TYR 3 0.342 4.355 -5.271 20 HB2 TYR 3 2HB TYR 3 1.380 6.839 -3.930 21 HB3 TYR 3 3HB TYR 3 0.170 6.935 -5.205 22 HD1 TYR 3 HD1 TYR 3 0.573 6.887 -1.778 23 HD2 TYR 3 HD2 TYR 3 -1.831 5.133 -4.818 24 HE1 TYR 3 HE1 TYR 3 -1.194 6.457 -0.123 25 HE2 TYR 3 HE2 TYR 3 -3.606 4.698 -3.171 26 HH TYR 3 HH TYR 3 -3.109 4.939 0.173 27 H LYS 4 H LYS 4 0.189 4.969 -7.404 28 HA LYS 4 HA LYS 4 2.702 5.250 -8.806 29 HB2 LYS 4 2HB LYS 4 -0.145 4.785 -9.621 30 HB3 LYS 4 3HB LYS 4 1.033 5.299 -10.822 31 HG2 LYS 4 2HG LYS 4 2.421 3.297 -9.816 32 HG3 LYS 4 3HG LYS 4 0.817 2.730 -9.348 33 HD2 LYS 4 2HD LYS 4 0.292 3.376 -11.879 34 HD3 LYS 4 3HD LYS 4 2.018 3.043 -12.044 35 HE2 LYS 4 2HE LYS 4 0.569 1.045 -10.475 36 HE3 LYS 4 3HE LYS 4 0.017 1.175 -12.144 37 HZ1 LYS 4 1HZ LYS 4 2.006 0.464 -12.957 38 HZ2 LYS 4 2HZ LYS 4 2.003 -0.378 -11.491 39 HZ3 LYS 4 3HZ LYS 4 2.900 1.048 -11.645 40 H GLY 5 H GLY 5 3.599 7.201 -8.968 41 HA2 GLY 5 2HA GLY 5 1.863 9.448 -9.763 42 HA3 GLY 5 3HA GLY 5 3.035 9.646 -8.468 43 H GLU 6 H GLU 6 2.928 11.176 -10.872 44 HA GLU 6 HA GLU 6 5.368 10.277 -12.253 45 HB2 GLU 6 2HB GLU 6 3.481 12.383 -13.282 46 HB3 GLU 6 3HB GLU 6 4.672 11.452 -14.178 47 HG2 GLU 6 2HG GLU 6 2.865 10.294 -14.831 48 HG3 GLU 6 3HG GLU 6 3.116 9.455 -13.301 49 H CYS 7 H CYS 7 6.708 12.157 -13.120 50 HA CYS 7 HA CYS 7 6.904 14.242 -11.045 51 HB2 CYS 7 2HB CYS 7 9.100 13.830 -10.783 52 HB3 CYS 7 3HB CYS 7 8.780 12.305 -11.602 53 H PHE 8 H PHE 8 8.068 16.230 -11.808 54 HA PHE 8 HA PHE 8 7.172 16.885 -14.532 55 HB2 PHE 8 2HB PHE 8 6.846 18.220 -12.032 56 HB3 PHE 8 3HB PHE 8 7.844 19.235 -13.068 57 HD1 PHE 8 HD1 PHE 8 6.519 20.942 -13.859 58 HD2 PHE 8 HD2 PHE 8 4.993 16.969 -13.851 59 HE1 PHE 8 HE1 PHE 8 4.504 21.717 -15.040 60 HE2 PHE 8 HE2 PHE 8 2.977 17.737 -15.032 61 HZ PHE 8 HZ PHE 8 2.730 20.113 -15.629 62 H THR 9 H THR 9 8.501 18.775 -15.492 63 HA THR 9 HA THR 9 11.023 17.893 -16.152 64 HB THR 9 HB THR 9 11.092 20.741 -16.262 65 HG1 THR 9 HG1 THR 9 9.072 21.271 -16.563 66 HG21 THR 9 1HG2 THR 9 10.204 19.284 -18.653 67 HG22 THR 9 2HG2 THR 9 11.659 18.636 -17.896 68 HG23 THR 9 3HG2 THR 9 11.610 20.321 -18.413 69 H LYS 10 H LYS 10 12.971 19.645 -15.833 70 HA LYS 10 HA LYS 10 14.030 19.138 -13.318 71 HB2 LYS 10 2HB LYS 10 14.906 20.356 -15.669 72 HB3 LYS 10 3HB LYS 10 15.064 21.608 -14.444 73 HG2 LYS 10 2HG LYS 10 17.032 20.685 -13.979 74 HG3 LYS 10 3HG LYS 10 16.111 19.399 -13.194 75 HD2 LYS 10 2HD LYS 10 16.979 17.958 -14.648 76 HD3 LYS 10 3HD LYS 10 16.120 18.799 -15.940 77 HE2 LYS 10 2HE LYS 10 17.972 19.933 -16.620 78 HE3 LYS 10 3HE LYS 10 18.660 19.998 -14.998 79 HZ1 LYS 10 1HZ LYS 10 19.873 18.546 -16.597 80 HZ2 LYS 10 2HZ LYS 10 18.531 17.516 -16.616 81 HZ3 LYS 10 3HZ LYS 10 19.387 17.763 -15.178 82 H ASP 11 H ASP 11 11.461 21.073 -13.960 83 HA ASP 11 HA ASP 11 11.954 23.330 -12.317 84 HB2 ASP 11 2HB ASP 11 9.698 22.198 -13.785 85 HB3 ASP 11 3HB ASP 11 9.210 22.956 -12.271 86 H ASN 12 H ASN 12 11.723 20.143 -11.499 87 HA ASN 12 HA ASN 12 11.508 19.028 -9.528 88 HB2 ASN 12 2HB ASN 12 12.624 21.473 -8.861 89 HB3 ASN 12 3HB ASN 12 11.252 21.344 -7.765 90 HD21 ASN 12 1HD2 ASN 12 13.291 18.787 -9.089 91 HD22 ASN 12 2HD2 ASN 12 13.892 18.233 -7.566 92 H THR 13 H THR 13 9.469 18.199 -9.906 93 HA THR 13 HA THR 13 7.417 19.043 -8.117 94 HB THR 13 HB THR 13 5.984 19.096 -10.551 95 HG1 THR 13 HG1 THR 13 7.851 21.194 -10.636 96 HG21 THR 13 1HG2 THR 13 6.689 21.189 -8.501 97 HG22 THR 13 2HG2 THR 13 5.203 20.248 -8.628 98 HG23 THR 13 3HG2 THR 13 5.567 21.487 -9.828 99 H CYS 14 H CYS 14 5.577 17.606 -8.119 100 HA CYS 14 HA CYS 14 5.746 15.227 -9.785 101 HB2 CYS 14 2HB CYS 14 6.393 15.294 -6.887 102 HB3 CYS 14 3HB CYS 14 5.393 13.956 -7.444 103 H LYS 15 H LYS 15 3.813 14.113 -9.970 104 HA LYS 15 HA LYS 15 1.517 15.175 -8.473 105 HB2 LYS 15 2HB LYS 15 1.440 16.283 -10.608 106 HB3 LYS 15 3HB LYS 15 1.701 14.768 -11.461 107 HG2 LYS 15 2HG LYS 15 -0.604 15.385 -11.651 108 HG3 LYS 15 3HG LYS 15 -0.479 13.963 -10.612 109 HD2 LYS 15 2HD LYS 15 -1.728 15.099 -9.149 110 HD3 LYS 15 3HD LYS 15 -0.287 16.071 -8.840 111 HE2 LYS 15 2HE LYS 15 -0.986 17.764 -10.316 112 HE3 LYS 15 3HE LYS 15 -2.205 16.728 -11.058 113 HZ1 LYS 15 1HZ LYS 15 -2.734 16.925 -8.309 114 HZ2 LYS 15 2HZ LYS 15 -3.680 17.464 -9.603 115 HZ3 LYS 15 3HZ LYS 15 -2.521 18.489 -8.919 116 H TYR 16 H TYR 16 0.736 13.529 -7.340 117 HA TYR 16 HA TYR 16 0.670 10.864 -8.597 118 HB2 TYR 16 2HB TYR 16 0.752 9.909 -6.358 119 HB3 TYR 16 3HB TYR 16 2.115 10.998 -6.598 120 HD1 TYR 16 HD1 TYR 16 -0.740 10.224 -4.572 121 HD2 TYR 16 HD2 TYR 16 1.964 13.339 -5.618 122 HE1 TYR 16 HE1 TYR 16 -1.370 11.447 -2.533 123 HE2 TYR 16 HE2 TYR 16 1.343 14.570 -3.581 124 HH TYR 16 HH TYR 16 0.393 14.030 -1.321 125 H LYS 17 H LYS 17 -1.138 9.466 -7.887 126 HA LYS 17 HA LYS 17 -3.570 11.017 -7.293 127 HB2 LYS 17 2HB LYS 17 -3.665 10.518 -9.630 128 HB3 LYS 17 3HB LYS 17 -3.183 8.849 -9.356 129 HG2 LYS 17 2HG LYS 17 -5.292 8.395 -8.249 130 HG3 LYS 17 3HG LYS 17 -5.775 10.082 -8.442 131 HD2 LYS 17 2HD LYS 17 -4.996 8.503 -10.852 132 HD3 LYS 17 3HD LYS 17 -6.591 8.254 -10.138 133 HE2 LYS 17 2HE LYS 17 -7.232 10.475 -10.524 134 HE3 LYS 17 3HE LYS 17 -5.570 11.001 -10.786 135 HZ1 LYS 17 1HZ LYS 17 -7.380 10.320 -12.719 136 HZ2 LYS 17 2HZ LYS 17 -6.351 8.980 -12.641 137 HZ3 LYS 17 3HZ LYS 17 -5.714 10.519 -12.935 138 H ILE 18 H ILE 18 -4.944 10.160 -5.821 139 HA ILE 18 HA ILE 18 -4.399 7.431 -4.862 140 HB ILE 18 HB ILE 18 -4.973 9.834 -3.126 141 HG12 ILE 18 2HG1 ILE 18 -2.498 8.169 -3.580 142 HG13 ILE 18 3HG1 ILE 18 -2.687 9.905 -3.800 143 HG21 ILE 18 1HG2 ILE 18 -4.527 6.951 -2.363 144 HG22 ILE 18 2HG2 ILE 18 -4.721 8.298 -1.242 145 HG23 ILE 18 3HG2 ILE 18 -6.061 7.819 -2.285 146 HD11 ILE 18 1HD1 ILE 18 -2.655 8.403 -1.196 147 HD12 ILE 18 2HD1 ILE 18 -1.422 9.503 -1.814 148 HD13 ILE 18 3HD1 ILE 18 -3.008 10.124 -1.355 149 H ASP 19 H ASP 19 -6.167 6.259 -4.122 150 HA ASP 19 HA ASP 19 -8.582 6.558 -5.391 151 HB2 ASP 19 2HB ASP 19 -7.765 5.113 -2.897 152 HB3 ASP 19 3HB ASP 19 -9.466 5.160 -3.353 153 H GLY 20 H GLY 20 -10.098 8.068 -5.277 154 HA2 GLY 20 2HA GLY 20 -11.840 9.086 -3.904 155 HA3 GLY 20 3HA GLY 20 -10.626 9.317 -2.654 156 H LYS 21 H LYS 21 -8.870 10.837 -3.118 157 HA LYS 21 HA LYS 21 -9.666 12.916 -5.047 158 HB2 LYS 21 2HB LYS 21 -8.831 13.205 -2.173 159 HB3 LYS 21 3HB LYS 21 -8.620 14.527 -3.314 160 HG2 LYS 21 2HG LYS 21 -11.242 13.185 -2.685 161 HG3 LYS 21 3HG LYS 21 -10.690 14.719 -2.006 162 HD2 LYS 21 2HD LYS 21 -11.186 14.136 -4.926 163 HD3 LYS 21 3HD LYS 21 -12.220 15.095 -3.865 164 HE2 LYS 21 2HE LYS 21 -9.888 16.375 -3.503 165 HE3 LYS 21 3HE LYS 21 -9.643 15.780 -5.144 166 HZ1 LYS 21 1HZ LYS 21 -11.795 16.806 -5.736 167 HZ2 LYS 21 2HZ LYS 21 -10.637 17.935 -5.240 168 HZ3 LYS 21 3HZ LYS 21 -11.881 17.479 -4.186 169 H THR 22 H THR 22 -7.976 14.133 -5.978 170 HA THR 22 HA THR 22 -5.399 12.731 -5.957 171 HB THR 22 HB THR 22 -6.504 14.713 -7.958 172 HG1 THR 22 HG1 THR 22 -6.468 11.913 -7.782 173 HG21 THR 22 1HG2 THR 22 -4.570 13.908 -9.350 174 HG22 THR 22 2HG2 THR 22 -3.927 13.147 -7.894 175 HG23 THR 22 3HG2 THR 22 -4.124 14.898 -7.961 176 H TYR 23 H TYR 23 -3.490 13.751 -5.508 177 HA TYR 23 HA TYR 23 -3.595 16.601 -4.801 178 HB2 TYR 23 2HB TYR 23 -1.950 14.756 -3.122 179 HB3 TYR 23 3HB TYR 23 -2.671 16.306 -2.704 180 HD1 TYR 23 HD1 TYR 23 -3.394 12.718 -3.233 181 HD2 TYR 23 HD2 TYR 23 -4.832 16.429 -1.729 182 HE1 TYR 23 HE1 TYR 23 -5.265 11.547 -2.149 183 HE2 TYR 23 HE2 TYR 23 -6.706 15.268 -0.639 184 HH TYR 23 HH TYR 23 -7.094 12.810 0.229 185 H LEU 24 H LEU 24 -1.311 17.472 -4.457 186 HA LEU 24 HA LEU 24 0.398 16.401 -6.595 187 HB2 LEU 24 2HB LEU 24 -0.485 18.758 -6.737 188 HB3 LEU 24 3HB LEU 24 0.532 19.137 -5.348 189 HG LEU 24 HG LEU 24 2.447 18.214 -6.880 190 HD11 LEU 24 1HD1 LEU 24 0.267 17.982 -8.615 191 HD12 LEU 24 2HD1 LEU 24 1.977 17.809 -9.009 192 HD13 LEU 24 3HD1 LEU 24 1.187 19.375 -9.186 193 HD21 LEU 24 1HD2 LEU 24 1.225 20.900 -7.484 194 HD22 LEU 24 2HD2 LEU 24 2.925 20.441 -7.581 195 HD23 LEU 24 3HD2 LEU 24 2.126 20.541 -6.011 196 H ALA 25 H ALA 25 2.653 16.243 -6.286 197 HA ALA 25 HA ALA 25 3.527 16.278 -3.472 198 HB1 ALA 25 1HB ALA 25 3.410 14.014 -3.772 199 HB2 ALA 25 2HB ALA 25 3.751 14.112 -5.500 200 HB3 ALA 25 3HB ALA 25 5.056 14.314 -4.331 201 H LYS 26 H LYS 26 5.752 16.701 -3.110 202 HA LYS 26 HA LYS 26 7.044 18.116 -5.346 203 HB2 LYS 26 2HB LYS 26 6.586 19.670 -3.611 204 HB3 LYS 26 3HB LYS 26 7.145 18.561 -2.367 205 HG2 LYS 26 2HG LYS 26 8.733 20.373 -2.757 206 HG3 LYS 26 3HG LYS 26 9.430 18.798 -3.144 207 HD2 LYS 26 2HD LYS 26 9.845 19.446 -5.231 208 HD3 LYS 26 3HD LYS 26 8.155 19.897 -5.468 209 HE2 LYS 26 2HE LYS 26 9.173 21.923 -5.796 210 HE3 LYS 26 3HE LYS 26 8.859 22.004 -4.063 211 HZ1 LYS 26 1HZ LYS 26 11.234 20.900 -3.993 212 HZ2 LYS 26 2HZ LYS 26 11.039 22.578 -4.084 213 HZ3 LYS 26 3HZ LYS 26 11.396 21.691 -5.480 214 H CYS 27 H CYS 27 9.182 17.736 -5.827 215 HA CYS 27 HA CYS 27 10.380 15.394 -4.501 216 HB2 CYS 27 2HB CYS 27 10.315 16.308 -7.338 217 HB3 CYS 27 3HB CYS 27 11.758 15.468 -6.778 218 HA PRO 28 HA PRO 28 13.899 17.688 -3.241 219 HB2 PRO 28 2HB PRO 28 15.944 15.972 -3.736 220 HB3 PRO 28 3HB PRO 28 14.779 15.727 -2.430 221 HG2 PRO 28 2HG PRO 28 14.861 14.484 -5.152 222 HG3 PRO 28 3HG PRO 28 14.518 13.726 -3.586 223 HD2 PRO 28 2HD PRO 28 12.564 14.422 -5.327 224 HD3 PRO 28 3HD PRO 28 12.333 14.461 -3.567 225 H SER 29 H SER 29 15.535 19.029 -3.966 226 HA SER 29 HA SER 29 15.598 19.507 -6.805 227 HB2 SER 29 2HB SER 29 17.434 21.234 -5.851 228 HB3 SER 29 3HB SER 29 15.700 21.548 -5.791 229 HG SER 29 HG SER 29 17.449 20.776 -3.741 230 H ALA 30 H ALA 30 17.267 17.469 -4.780 231 HA ALA 30 HA ALA 30 19.925 17.622 -5.475 232 HB1 ALA 30 1HB ALA 30 19.253 14.873 -5.450 233 HB2 ALA 30 2HB ALA 30 19.963 15.840 -4.156 234 HB3 ALA 30 3HB ALA 30 18.210 15.688 -4.284 235 H ALA 31 H ALA 31 21.110 17.236 -7.246 236 HA ALA 31 HA ALA 31 19.912 16.979 -9.776 237 HB1 ALA 31 1HB ALA 31 22.693 16.954 -8.741 238 HB2 ALA 31 2HB ALA 31 22.415 16.337 -10.371 239 HB3 ALA 31 3HB ALA 31 21.945 17.987 -9.960 240 H ASN 32 H ASN 32 20.934 14.623 -7.465 241 HA ASN 32 HA ASN 32 21.068 12.449 -9.361 242 HB2 ASN 32 2HB ASN 32 21.999 12.883 -6.748 243 HB3 ASN 32 3HB ASN 32 20.802 11.598 -6.610 244 HD21 ASN 32 1HD2 ASN 32 23.927 12.473 -7.685 245 HD22 ASN 32 2HD2 ASN 32 24.410 10.919 -8.266 246 H THR 33 H THR 33 18.677 13.962 -7.393 247 HA THR 33 HA THR 33 16.782 11.793 -8.023 248 HB THR 33 HB THR 33 15.430 12.775 -6.078 249 HG1 THR 33 HG1 THR 33 16.865 14.678 -5.953 250 HG21 THR 33 1HG2 THR 33 16.246 11.134 -4.744 251 HG22 THR 33 2HG2 THR 33 17.917 11.668 -4.930 252 HG23 THR 33 3HG2 THR 33 17.152 10.708 -6.195 253 H LYS 34 H LYS 34 17.633 14.394 -9.425 254 HA LYS 34 HA LYS 34 15.131 15.878 -9.460 255 HB2 LYS 34 2HB LYS 34 17.893 16.327 -10.410 256 HB3 LYS 34 3HB LYS 34 16.626 17.017 -11.416 257 HG2 LYS 34 2HG LYS 34 16.245 17.536 -8.574 258 HG3 LYS 34 3HG LYS 34 17.751 18.197 -9.216 259 HD2 LYS 34 2HD LYS 34 15.322 18.610 -10.853 260 HD3 LYS 34 3HD LYS 34 15.405 19.497 -9.328 261 HE2 LYS 34 2HE LYS 34 17.738 19.490 -11.203 262 HE3 LYS 34 3HE LYS 34 16.370 20.563 -11.494 263 HZ1 LYS 34 1HZ LYS 34 16.816 21.058 -8.932 264 HZ2 LYS 34 2HZ LYS 34 17.568 21.921 -10.177 265 HZ3 LYS 34 3HZ LYS 34 18.391 20.660 -9.406 266 H CYS 35 H CYS 35 14.474 16.602 -11.806 267 HA CYS 35 HA CYS 35 14.309 14.168 -13.461 268 HB2 CYS 35 2HB CYS 35 12.228 16.304 -12.973 269 HB3 CYS 35 3HB CYS 35 12.086 15.071 -14.222 270 H GLU 36 H GLU 36 14.916 14.320 -15.533 271 HA GLU 36 HA GLU 36 15.904 16.889 -16.481 272 HB2 GLU 36 2HB GLU 36 17.137 15.698 -18.083 273 HB3 GLU 36 3HB GLU 36 17.182 14.676 -16.654 274 HG2 GLU 36 2HG GLU 36 16.665 13.085 -18.162 275 HG3 GLU 36 3HG GLU 36 15.027 13.641 -17.825 276 H LYS 37 H LYS 37 13.279 14.695 -17.017 277 HA LYS 37 HA LYS 37 12.132 16.573 -18.942 278 HB2 LYS 37 2HB LYS 37 13.324 14.457 -19.988 279 HB3 LYS 37 3HB LYS 37 11.830 13.657 -19.519 280 HG2 LYS 37 2HG LYS 37 10.644 15.542 -20.779 281 HG3 LYS 37 3HG LYS 37 12.227 15.886 -21.481 282 HD2 LYS 37 2HD LYS 37 12.184 13.280 -21.942 283 HD3 LYS 37 3HD LYS 37 10.440 13.538 -21.865 284 HE2 LYS 37 2HE LYS 37 10.982 15.530 -23.483 285 HE3 LYS 37 3HE LYS 37 12.437 14.593 -23.815 286 HZ1 LYS 37 1HZ LYS 37 11.289 13.090 -24.974 287 HZ2 LYS 37 2HZ LYS 37 10.063 14.252 -25.044 288 HZ3 LYS 37 3HZ LYS 37 10.013 13.040 -23.865 289 H ASP 38 H ASP 38 10.076 17.014 -18.479 290 HA ASP 38 HA ASP 38 8.774 16.024 -16.226 291 HB2 ASP 38 2HB ASP 38 6.938 17.341 -16.852 292 HB3 ASP 38 3HB ASP 38 8.310 18.166 -17.587 293 H GLY 39 H GLY 39 7.005 14.621 -15.950 294 HA2 GLY 39 2HA GLY 39 5.425 13.017 -16.702 295 HA3 GLY 39 3HA GLY 39 6.313 12.891 -18.214 296 H ASN 40 H ASN 40 8.738 12.841 -16.155 297 HA ASN 40 HA ASN 40 9.328 10.138 -16.423 298 HB2 ASN 40 2HB ASN 40 10.569 12.411 -15.299 299 HB3 ASN 40 3HB ASN 40 10.560 11.181 -14.040 300 HD21 ASN 40 1HD2 ASN 40 11.616 11.965 -17.272 301 HD22 ASN 40 2HD2 ASN 40 12.844 10.753 -17.374 302 H LYS 41 H LYS 41 9.943 8.861 -14.245 303 HA LYS 41 HA LYS 41 7.397 8.210 -13.062 304 HB2 LYS 41 2HB LYS 41 9.913 6.899 -13.459 305 HB3 LYS 41 3HB LYS 41 9.491 6.814 -11.754 306 HG2 LYS 41 2HG LYS 41 7.404 6.139 -13.759 307 HG3 LYS 41 3HG LYS 41 8.700 4.978 -13.461 308 HD2 LYS 41 2HD LYS 41 7.647 4.290 -11.630 309 HD3 LYS 41 3HD LYS 41 7.791 5.910 -10.945 310 HE2 LYS 41 2HE LYS 41 5.717 6.239 -12.671 311 HE3 LYS 41 3HE LYS 41 5.482 4.566 -12.167 312 HZ1 LYS 41 1HZ LYS 41 4.830 6.887 -10.767 313 HZ2 LYS 41 2HZ LYS 41 6.068 6.121 -9.905 314 HZ3 LYS 41 3HZ LYS 41 4.644 5.282 -10.265 315 H CYS 42 H CYS 42 6.924 8.200 -10.823 316 HA CYS 42 HA CYS 42 8.708 9.601 -9.013 317 HB2 CYS 42 2HB CYS 42 7.299 11.340 -10.236 318 HB3 CYS 42 3HB CYS 42 5.909 10.661 -9.395 319 H THR 43 H THR 43 8.003 9.490 -6.782 320 HA THR 43 HA THR 43 5.887 7.526 -6.254 321 HB THR 43 HB THR 43 8.122 7.192 -4.428 322 HG1 THR 43 HG1 THR 43 8.609 6.331 -7.088 323 HG21 THR 43 1HG2 THR 43 6.000 5.723 -5.190 324 HG22 THR 43 2HG2 THR 43 7.449 5.026 -4.466 325 HG23 THR 43 3HG2 THR 43 7.243 5.009 -6.217 326 H TYR 44 H TYR 44 4.790 7.801 -4.340 327 HA TYR 44 HA TYR 44 5.680 9.946 -2.548 328 HB2 TYR 44 2HB TYR 44 4.135 11.165 -3.798 329 HB3 TYR 44 3HB TYR 44 3.071 9.781 -4.019 330 HD1 TYR 44 HD1 TYR 44 1.393 9.236 -2.395 331 HD2 TYR 44 HD2 TYR 44 4.138 12.404 -1.666 332 HE1 TYR 44 HE1 TYR 44 0.004 9.998 -0.513 333 HE2 TYR 44 HE2 TYR 44 2.758 13.174 0.218 334 HH TYR 44 HH TYR 44 0.193 11.302 1.504 335 H ASP 45 H ASP 45 5.533 9.409 -0.468 336 HA ASP 45 HA ASP 45 4.118 6.939 0.226 337 HB2 ASP 45 2HB ASP 45 6.589 7.346 0.794 338 HB3 ASP 45 3HB ASP 45 5.997 8.460 2.023 339 H SER 46 H SER 46 2.200 7.053 1.166 340 HA SER 46 HA SER 46 1.198 9.568 2.168 341 HB2 SER 46 2HB SER 46 -0.927 8.511 2.276 342 HB3 SER 46 3HB SER 46 -0.152 7.866 0.829 343 HG SER 46 HG SER 46 0.045 5.953 1.761 344 H TYR 47 H TYR 47 2.866 6.939 3.464 345 HA TYR 47 HA TYR 47 1.719 7.031 6.103 346 HB2 TYR 47 2HB TYR 47 2.736 4.969 5.145 347 HB3 TYR 47 3HB TYR 47 4.309 5.756 5.199 348 HD1 TYR 47 HD1 TYR 47 5.447 6.123 7.317 349 HD2 TYR 47 HD2 TYR 47 1.651 4.204 7.178 350 HE1 TYR 47 HE1 TYR 47 5.762 5.343 9.629 351 HE2 TYR 47 HE2 TYR 47 1.956 3.421 9.489 352 HH TYR 47 HH TYR 47 4.618 3.122 10.993 353 H ASN 48 H ASN 48 4.690 8.185 4.556 354 HA ASN 48 HA ASN 48 5.277 9.750 6.979 355 HB2 ASN 48 2HB ASN 48 7.521 9.897 5.349 356 HB3 ASN 48 3HB ASN 48 7.323 8.855 6.754 357 HD21 ASN 48 1HD2 ASN 48 8.049 8.935 3.535 358 HD22 ASN 48 2HD2 ASN 48 7.775 7.274 3.145 359 H ARG 49 H ARG 49 3.768 10.109 4.145 360 HA ARG 49 HA ARG 49 3.303 11.836 2.732 361 HB2 ARG 49 2HB ARG 49 4.175 13.550 5.062 362 HB3 ARG 49 3HB ARG 49 3.097 14.017 3.753 363 HG2 ARG 49 2HG ARG 49 1.583 12.126 4.566 364 HG3 ARG 49 3HG ARG 49 2.578 12.135 6.024 365 HD2 ARG 49 2HD ARG 49 1.869 14.819 5.382 366 HD3 ARG 49 3HD ARG 49 0.409 13.830 5.359 367 HE ARG 49 HE ARG 49 2.017 13.339 7.668 368 HH11 ARG 49 1HH1 ARG 49 -0.337 15.499 6.285 369 HH12 ARG 49 2HH1 ARG 49 -0.940 16.034 7.819 370 HH21 ARG 49 1HH2 ARG 49 1.232 14.036 9.693 371 HH22 ARG 49 2HH2 ARG 49 -0.046 15.202 9.757 372 H LYS 50 H LYS 50 6.037 10.779 2.728 373 HA LYS 50 HA LYS 50 7.512 13.165 1.831 374 HB2 LYS 50 2HB LYS 50 9.081 12.353 3.221 375 HB3 LYS 50 3HB LYS 50 8.292 10.785 3.334 376 HG2 LYS 50 2HG LYS 50 9.811 11.508 0.868 377 HG3 LYS 50 3HG LYS 50 10.671 10.974 2.314 378 HD2 LYS 50 2HD LYS 50 8.382 9.291 1.652 379 HD3 LYS 50 3HD LYS 50 9.600 9.339 0.376 380 HE2 LYS 50 2HE LYS 50 11.323 8.761 2.044 381 HE3 LYS 50 3HE LYS 50 10.067 8.648 3.276 382 HZ1 LYS 50 1HZ LYS 50 9.490 7.071 0.955 383 HZ2 LYS 50 2HZ LYS 50 9.495 6.626 2.587 384 HZ3 LYS 50 3HZ LYS 50 10.937 6.611 1.701 385 H VAL 51 H VAL 51 8.391 13.235 -0.199 386 HA VAL 51 HA VAL 51 7.430 11.192 -2.066 387 HB VAL 51 HB VAL 51 8.694 13.822 -2.810 388 HG11 VAL 51 1HG1 VAL 51 8.454 12.018 -4.524 389 HG12 VAL 51 2HG1 VAL 51 6.706 12.120 -4.303 390 HG13 VAL 51 3HG1 VAL 51 7.603 13.512 -4.911 391 HG21 VAL 51 1HG2 VAL 51 6.809 14.269 -1.317 392 HG22 VAL 51 2HG2 VAL 51 6.447 14.765 -2.971 393 HG23 VAL 51 3HG2 VAL 51 5.766 13.270 -2.329 394 H LYS 52 H LYS 52 8.759 9.799 -3.034 395 HA LYS 52 HA LYS 52 11.660 10.271 -2.815 396 HB2 LYS 52 2HB LYS 52 10.999 8.386 -1.447 397 HB3 LYS 52 3HB LYS 52 10.126 7.667 -2.794 398 HG2 LYS 52 2HG LYS 52 12.314 7.502 -4.004 399 HG3 LYS 52 3HG LYS 52 13.100 7.994 -2.501 400 HD2 LYS 52 2HD LYS 52 11.248 5.877 -1.964 401 HD3 LYS 52 3HD LYS 52 12.318 5.401 -3.285 402 HE2 LYS 52 2HE LYS 52 14.201 6.305 -1.751 403 HE3 LYS 52 3HE LYS 52 13.002 6.154 -0.468 404 HZ1 LYS 52 1HZ LYS 52 14.044 4.123 -0.405 405 HZ2 LYS 52 2HZ LYS 52 14.267 4.045 -2.080 406 HZ3 LYS 52 3HZ LYS 52 12.733 3.778 -1.418 407 H CYS 53 H CYS 53 12.591 10.706 -4.693 408 HA CYS 53 HA CYS 53 11.564 9.383 -7.115 409 HB2 CYS 53 2HB CYS 53 12.789 12.114 -7.250 410 HB3 CYS 53 3HB CYS 53 11.671 11.340 -8.368 411 H ASP 54 H ASP 54 13.060 8.598 -8.535 412 HA ASP 54 HA ASP 54 15.892 9.149 -8.034 413 HB2 ASP 54 2HB ASP 54 16.121 6.532 -8.507 414 HB3 ASP 54 3HB ASP 54 15.923 7.176 -6.879 415 H PHE 55 H PHE 55 17.244 8.857 -9.822 416 HA PHE 55 HA PHE 55 15.847 8.387 -12.374 417 HB2 PHE 55 2HB PHE 55 17.347 10.684 -11.477 418 HB3 PHE 55 3HB PHE 55 18.106 9.978 -12.901 419 HD1 PHE 55 HD1 PHE 55 14.531 10.322 -11.908 420 HD2 PHE 55 HD2 PHE 55 17.580 11.287 -14.717 421 HE1 PHE 55 HE1 PHE 55 12.859 11.424 -13.339 422 HE2 PHE 55 HE2 PHE 55 15.914 12.391 -16.151 423 HZ PHE 55 HZ PHE 55 13.550 12.462 -15.463 424 H ARG 56 H ARG 56 17.484 7.907 -14.182 425 HA ARG 56 HA ARG 56 19.846 6.467 -13.297 426 HB2 ARG 56 2HB ARG 56 17.472 5.124 -14.577 427 HB3 ARG 56 3HB ARG 56 19.090 4.442 -14.669 428 HG2 ARG 56 2HG ARG 56 18.943 4.828 -12.029 429 HG3 ARG 56 3HG ARG 56 17.228 4.613 -12.386 430 HD2 ARG 56 2HD ARG 56 17.480 2.420 -12.696 431 HD3 ARG 56 3HD ARG 56 18.864 2.662 -13.761 432 HE ARG 56 HE ARG 56 20.232 2.148 -12.010 433 HH11 ARG 56 1HH1 ARG 56 17.112 3.053 -10.759 434 HH12 ARG 56 2HH1 ARG 56 17.508 2.654 -9.120 435 HH21 ARG 56 1HH2 ARG 56 20.766 1.619 -9.857 436 HH22 ARG 56 2HH2 ARG 56 19.588 1.839 -8.608 437 H HIS 57 H HIS 57 21.348 6.081 -14.949 438 HA HIS 57 HA HIS 57 22.468 6.506 -16.883 439 HB2 HIS 57 2HB HIS 57 19.898 5.655 -17.664 440 HB3 HIS 57 3HB HIS 57 20.279 7.044 -18.677 441 HD1 HIS 57 HD1 HIS 57 20.341 3.673 -19.080 442 HD2 HIS 57 HD2 HIS 57 23.358 6.511 -19.395 443 HE1 HIS 57 HE1 HIS 57 22.103 2.622 -20.534 Start of MODEL 20 1 H1 LEU 1 H LEU 1 0.918 -1.638 0.439 2 HA LEU 1 HA LEU 1 2.882 -0.970 -0.800 3 HB2 LEU 1 2HB LEU 1 0.369 -1.460 -2.305 4 HB3 LEU 1 3HB LEU 1 1.786 -0.943 -3.216 5 HG LEU 1 HG LEU 1 2.003 -3.274 -1.359 6 HD11 LEU 1 1HD1 LEU 1 0.847 -4.703 -2.639 7 HD12 LEU 1 2HD1 LEU 1 1.353 -3.928 -4.140 8 HD13 LEU 1 3HD1 LEU 1 0.012 -3.259 -3.210 9 HD21 LEU 1 1HD2 LEU 1 4.032 -2.434 -2.349 10 HD22 LEU 1 2HD2 LEU 1 3.315 -2.490 -3.960 11 HD23 LEU 1 3HD2 LEU 1 3.631 -3.987 -3.082 12 H GLU 2 H GLU 2 4.011 0.638 -1.801 13 HA GLU 2 HA GLU 2 3.301 3.287 -1.397 14 HB2 GLU 2 2HB GLU 2 5.429 1.853 -2.781 15 HB3 GLU 2 3HB GLU 2 5.040 3.383 -3.553 16 HG2 GLU 2 2HG GLU 2 5.837 4.613 -1.839 17 HG3 GLU 2 3HG GLU 2 5.338 3.442 -0.621 18 H TYR 3 H TYR 3 2.693 4.968 -2.838 19 HA TYR 3 HA TYR 3 0.744 4.103 -4.801 20 HB2 TYR 3 2HB TYR 3 1.447 6.745 -3.554 21 HB3 TYR 3 3HB TYR 3 0.407 6.669 -4.972 22 HD1 TYR 3 HD1 TYR 3 -1.687 5.175 -4.807 23 HD2 TYR 3 HD2 TYR 3 0.542 6.472 -1.423 24 HE1 TYR 3 HE1 TYR 3 -3.629 4.729 -3.364 25 HE2 TYR 3 HE2 TYR 3 -1.393 6.029 0.029 26 HH TYR 3 HH TYR 3 -4.027 4.210 -0.921 27 H LYS 4 H LYS 4 0.784 4.551 -6.982 28 HA LYS 4 HA LYS 4 3.410 4.893 -8.135 29 HB2 LYS 4 2HB LYS 4 2.148 3.256 -9.233 30 HB3 LYS 4 3HB LYS 4 0.690 4.239 -9.225 31 HG2 LYS 4 2HG LYS 4 1.218 5.261 -11.146 32 HG3 LYS 4 3HG LYS 4 2.926 5.397 -10.723 33 HD2 LYS 4 2HD LYS 4 3.466 3.428 -11.710 34 HD3 LYS 4 3HD LYS 4 1.926 2.674 -11.291 35 HE2 LYS 4 2HE LYS 4 0.815 3.717 -13.098 36 HE3 LYS 4 3HE LYS 4 2.158 4.824 -13.381 37 HZ1 LYS 4 1HZ LYS 4 1.965 1.953 -14.027 38 HZ2 LYS 4 2HZ LYS 4 3.476 2.690 -13.847 39 HZ3 LYS 4 3HZ LYS 4 2.403 3.242 -15.032 40 H GLY 5 H GLY 5 4.237 6.847 -8.464 41 HA2 GLY 5 2HA GLY 5 2.454 8.952 -9.505 42 HA3 GLY 5 3HA GLY 5 3.552 9.296 -8.177 43 H GLU 6 H GLU 6 3.498 10.632 -10.700 44 HA GLU 6 HA GLU 6 6.052 9.753 -11.873 45 HB2 GLU 6 2HB GLU 6 5.254 11.337 -13.782 46 HB3 GLU 6 3HB GLU 6 4.565 9.726 -13.646 47 HG2 GLU 6 2HG GLU 6 2.614 10.646 -12.513 48 HG3 GLU 6 3HG GLU 6 3.306 12.263 -12.627 49 H CYS 7 H CYS 7 7.413 11.555 -12.748 50 HA CYS 7 HA CYS 7 7.266 13.922 -10.998 51 HB2 CYS 7 2HB CYS 7 9.088 12.610 -10.194 52 HB3 CYS 7 3HB CYS 7 9.675 12.303 -11.825 53 H PHE 8 H PHE 8 8.080 15.889 -11.861 54 HA PHE 8 HA PHE 8 7.820 16.028 -14.769 55 HB2 PHE 8 2HB PHE 8 7.676 18.090 -12.578 56 HB3 PHE 8 3HB PHE 8 7.794 18.548 -14.274 57 HD1 PHE 8 HD1 PHE 8 5.822 19.069 -15.305 58 HD2 PHE 8 HD2 PHE 8 5.805 16.173 -12.186 59 HE1 PHE 8 HE1 PHE 8 3.384 18.839 -15.537 60 HE2 PHE 8 HE2 PHE 8 3.367 15.937 -12.414 61 HZ PHE 8 HZ PHE 8 2.153 17.270 -14.091 62 H THR 9 H THR 9 9.221 17.893 -15.747 63 HA THR 9 HA THR 9 11.827 17.069 -15.933 64 HB THR 9 HB THR 9 11.907 19.880 -16.282 65 HG1 THR 9 HG1 THR 9 9.810 20.255 -16.464 66 HG21 THR 9 1HG2 THR 9 12.624 17.652 -17.667 67 HG22 THR 9 2HG2 THR 9 12.637 19.286 -18.331 68 HG23 THR 9 3HG2 THR 9 11.259 18.225 -18.624 69 H LYS 10 H LYS 10 13.695 18.844 -15.465 70 HA LYS 10 HA LYS 10 14.332 18.594 -12.771 71 HB2 LYS 10 2HB LYS 10 15.598 19.550 -15.061 72 HB3 LYS 10 3HB LYS 10 15.567 20.935 -13.977 73 HG2 LYS 10 2HG LYS 10 17.367 20.103 -12.993 74 HG3 LYS 10 3HG LYS 10 16.356 18.790 -12.383 75 HD2 LYS 10 2HD LYS 10 17.653 17.399 -13.546 76 HD3 LYS 10 3HD LYS 10 16.914 18.065 -15.004 77 HE2 LYS 10 2HE LYS 10 19.262 19.407 -13.711 78 HE3 LYS 10 3HE LYS 10 19.489 18.045 -14.806 79 HZ1 LYS 10 1HZ LYS 10 19.655 19.988 -16.101 80 HZ2 LYS 10 2HZ LYS 10 18.270 20.675 -15.414 81 HZ3 LYS 10 3HZ LYS 10 18.129 19.344 -16.447 82 H ASP 11 H ASP 11 11.909 20.417 -13.985 83 HA ASP 11 HA ASP 11 12.165 22.854 -12.564 84 HB2 ASP 11 2HB ASP 11 10.301 21.681 -14.352 85 HB3 ASP 11 3HB ASP 11 9.408 22.165 -12.913 86 H ASN 12 H ASN 12 11.835 19.785 -11.411 87 HA ASN 12 HA ASN 12 11.371 18.913 -9.362 88 HB2 ASN 12 2HB ASN 12 12.226 21.542 -8.867 89 HB3 ASN 12 3HB ASN 12 10.782 21.326 -7.881 90 HD21 ASN 12 1HD2 ASN 12 13.127 18.876 -8.822 91 HD22 ASN 12 2HD2 ASN 12 13.675 18.526 -7.221 92 H THR 13 H THR 13 9.441 17.936 -9.855 93 HA THR 13 HA THR 13 7.118 18.940 -8.544 94 HB THR 13 HB THR 13 6.238 18.512 -11.263 95 HG1 THR 13 HG1 THR 13 7.223 20.269 -12.227 96 HG21 THR 13 1HG2 THR 13 5.571 21.066 -10.646 97 HG22 THR 13 2HG2 THR 13 5.840 20.398 -9.036 98 HG23 THR 13 3HG2 THR 13 4.662 19.652 -10.115 99 H CYS 14 H CYS 14 5.532 17.371 -8.276 100 HA CYS 14 HA CYS 14 5.945 14.788 -9.596 101 HB2 CYS 14 2HB CYS 14 7.136 14.693 -7.437 102 HB3 CYS 14 3HB CYS 14 5.647 15.129 -6.605 103 H LYS 15 H LYS 15 4.102 13.566 -9.875 104 HA LYS 15 HA LYS 15 1.582 14.702 -8.871 105 HB2 LYS 15 2HB LYS 15 1.884 15.411 -11.203 106 HB3 LYS 15 3HB LYS 15 2.089 13.733 -11.691 107 HG2 LYS 15 2HG LYS 15 -0.092 13.706 -12.092 108 HG3 LYS 15 3HG LYS 15 -0.326 13.742 -10.343 109 HD2 LYS 15 2HD LYS 15 0.145 16.391 -11.024 110 HD3 LYS 15 3HD LYS 15 -0.873 15.781 -12.331 111 HE2 LYS 15 2HE LYS 15 -1.707 14.991 -9.625 112 HE3 LYS 15 3HE LYS 15 -1.803 16.719 -9.959 113 HZ1 LYS 15 1HZ LYS 15 -3.421 16.427 -11.502 114 HZ2 LYS 15 2HZ LYS 15 -3.765 15.083 -10.535 115 HZ3 LYS 15 3HZ LYS 15 -2.884 14.891 -11.966 116 H TYR 16 H TYR 16 0.796 13.203 -7.543 117 HA TYR 16 HA TYR 16 0.918 10.384 -8.393 118 HB2 TYR 16 2HB TYR 16 0.940 9.739 -6.069 119 HB3 TYR 16 3HB TYR 16 2.217 10.921 -6.332 120 HD1 TYR 16 HD1 TYR 16 -0.630 10.067 -4.375 121 HD2 TYR 16 HD2 TYR 16 1.683 13.371 -5.731 122 HE1 TYR 16 HE1 TYR 16 -1.539 11.443 -2.551 123 HE2 TYR 16 HE2 TYR 16 0.781 14.756 -3.909 124 HH TYR 16 HH TYR 16 -0.239 14.500 -1.733 125 H LYS 17 H LYS 17 -0.897 9.041 -7.844 126 HA LYS 17 HA LYS 17 -3.410 10.561 -7.592 127 HB2 LYS 17 2HB LYS 17 -3.289 9.643 -9.800 128 HB3 LYS 17 3HB LYS 17 -2.794 8.071 -9.184 129 HG2 LYS 17 2HG LYS 17 -4.984 7.764 -8.168 130 HG3 LYS 17 3HG LYS 17 -5.484 9.355 -8.746 131 HD2 LYS 17 2HD LYS 17 -4.431 7.427 -10.745 132 HD3 LYS 17 3HD LYS 17 -6.038 7.124 -10.081 133 HE2 LYS 17 2HE LYS 17 -6.862 9.187 -10.869 134 HE3 LYS 17 3HE LYS 17 -5.241 9.800 -11.191 135 HZ1 LYS 17 1HZ LYS 17 -6.940 8.141 -12.827 136 HZ2 LYS 17 2HZ LYS 17 -5.339 7.601 -12.737 137 HZ3 LYS 17 3HZ LYS 17 -5.673 9.169 -13.277 138 H ILE 18 H ILE 18 -4.886 9.913 -6.108 139 HA ILE 18 HA ILE 18 -4.302 7.456 -4.593 140 HB ILE 18 HB ILE 18 -5.322 10.033 -3.395 141 HG12 ILE 18 2HG1 ILE 18 -2.948 10.170 -4.120 142 HG13 ILE 18 3HG1 ILE 18 -3.136 10.273 -2.373 143 HG21 ILE 18 1HG2 ILE 18 -4.758 8.815 -1.252 144 HG22 ILE 18 2HG2 ILE 18 -6.158 8.216 -2.140 145 HG23 ILE 18 3HG2 ILE 18 -4.623 7.352 -2.227 146 HD11 ILE 18 1HD1 ILE 18 -2.538 7.882 -2.214 147 HD12 ILE 18 2HD1 ILE 18 -2.241 7.877 -3.953 148 HD13 ILE 18 3HD1 ILE 18 -1.256 8.885 -2.894 149 H ASP 19 H ASP 19 -6.078 6.329 -3.762 150 HA ASP 19 HA ASP 19 -8.332 6.133 -5.321 151 HB2 ASP 19 2HB ASP 19 -7.882 5.408 -2.429 152 HB3 ASP 19 3HB ASP 19 -9.384 5.031 -3.268 153 H GLY 20 H GLY 20 -9.929 7.506 -5.714 154 HA2 GLY 20 2HA GLY 20 -11.879 8.664 -4.864 155 HA3 GLY 20 3HA GLY 20 -10.910 9.182 -3.493 156 H LYS 21 H LYS 21 -9.097 10.671 -3.976 157 HA LYS 21 HA LYS 21 -9.677 12.373 -6.309 158 HB2 LYS 21 2HB LYS 21 -9.239 13.156 -3.440 159 HB3 LYS 21 3HB LYS 21 -8.893 14.284 -4.744 160 HG2 LYS 21 2HG LYS 21 -11.557 12.964 -4.263 161 HG3 LYS 21 3HG LYS 21 -11.126 14.602 -3.766 162 HD2 LYS 21 2HD LYS 21 -11.191 13.565 -6.600 163 HD3 LYS 21 3HD LYS 21 -12.393 14.621 -5.854 164 HE2 LYS 21 2HE LYS 21 -10.047 15.960 -5.384 165 HE3 LYS 21 3HE LYS 21 -9.767 15.251 -6.974 166 HZ1 LYS 21 1HZ LYS 21 -11.234 17.521 -6.380 167 HZ2 LYS 21 2HZ LYS 21 -12.366 16.354 -6.846 168 HZ3 LYS 21 3HZ LYS 21 -11.091 16.756 -7.883 169 H THR 22 H THR 22 -7.906 13.490 -7.212 170 HA THR 22 HA THR 22 -5.323 12.225 -6.630 171 HB THR 22 HB THR 22 -6.216 13.781 -9.066 172 HG1 THR 22 HG1 THR 22 -7.106 11.644 -8.834 173 HG21 THR 22 1HG2 THR 22 -3.642 12.279 -8.570 174 HG22 THR 22 2HG2 THR 22 -3.809 14.034 -8.621 175 HG23 THR 22 3HG2 THR 22 -4.109 13.077 -10.071 176 H TYR 23 H TYR 23 -3.514 13.390 -6.129 177 HA TYR 23 HA TYR 23 -3.781 16.310 -5.933 178 HB2 TYR 23 2HB TYR 23 -2.327 14.807 -3.790 179 HB3 TYR 23 3HB TYR 23 -3.069 16.401 -3.724 180 HD1 TYR 23 HD1 TYR 23 -5.317 16.677 -3.023 181 HD2 TYR 23 HD2 TYR 23 -3.785 12.772 -3.736 182 HE1 TYR 23 HE1 TYR 23 -7.321 15.706 -1.978 183 HE2 TYR 23 HE2 TYR 23 -5.785 11.791 -2.694 184 HH TYR 23 HH TYR 23 -7.548 12.349 -1.208 185 H LEU 24 H LEU 24 -1.590 17.343 -5.495 186 HA LEU 24 HA LEU 24 0.401 16.019 -7.204 187 HB2 LEU 24 2HB LEU 24 -0.495 18.777 -6.860 188 HB3 LEU 24 3HB LEU 24 1.259 18.605 -6.872 189 HG LEU 24 HG LEU 24 -0.089 17.183 -9.048 190 HD11 LEU 24 1HD1 LEU 24 -0.009 20.143 -9.364 191 HD12 LEU 24 2HD1 LEU 24 -1.404 19.401 -8.581 192 HD13 LEU 24 3HD1 LEU 24 -0.968 18.941 -10.226 193 HD21 LEU 24 1HD2 LEU 24 1.815 19.200 -9.798 194 HD22 LEU 24 2HD2 LEU 24 1.928 17.446 -9.939 195 HD23 LEU 24 3HD2 LEU 24 2.431 18.246 -8.449 196 H ALA 25 H ALA 25 2.595 15.992 -6.608 197 HA ALA 25 HA ALA 25 3.107 16.501 -3.750 198 HB1 ALA 25 1HB ALA 25 3.516 14.074 -5.351 199 HB2 ALA 25 2HB ALA 25 4.880 14.535 -4.332 200 HB3 ALA 25 3HB ALA 25 3.293 14.267 -3.611 201 H LYS 26 H LYS 26 5.294 17.034 -3.190 202 HA LYS 26 HA LYS 26 6.752 18.295 -5.417 203 HB2 LYS 26 2HB LYS 26 6.025 19.975 -3.892 204 HB3 LYS 26 3HB LYS 26 6.543 19.032 -2.500 205 HG2 LYS 26 2HG LYS 26 8.034 20.924 -2.981 206 HG3 LYS 26 3HG LYS 26 8.859 19.366 -3.077 207 HD2 LYS 26 2HD LYS 26 9.436 19.740 -5.194 208 HD3 LYS 26 3HD LYS 26 7.761 20.076 -5.640 209 HE2 LYS 26 2HE LYS 26 9.477 22.116 -4.256 210 HE3 LYS 26 3HE LYS 26 9.489 21.929 -6.009 211 HZ1 LYS 26 1HZ LYS 26 7.515 23.144 -4.312 212 HZ2 LYS 26 2HZ LYS 26 6.849 22.051 -5.418 213 HZ3 LYS 26 3HZ LYS 26 7.787 23.346 -5.970 214 H CYS 27 H CYS 27 8.923 17.943 -5.667 215 HA CYS 27 HA CYS 27 10.094 15.858 -3.946 216 HB2 CYS 27 2HB CYS 27 10.247 16.376 -6.882 217 HB3 CYS 27 3HB CYS 27 11.644 15.656 -6.088 218 HA PRO 28 HA PRO 28 13.403 18.484 -2.767 219 HB2 PRO 28 2HB PRO 28 15.542 16.813 -2.835 220 HB3 PRO 28 3HB PRO 28 14.279 16.708 -1.603 221 HG2 PRO 28 2HG PRO 28 14.637 15.083 -4.092 222 HG3 PRO 28 3HG PRO 28 14.189 14.549 -2.462 223 HD2 PRO 28 2HD PRO 28 12.367 14.887 -4.436 224 HD3 PRO 28 3HD PRO 28 11.986 15.174 -2.726 225 H SER 29 H SER 29 15.320 19.577 -3.466 226 HA SER 29 HA SER 29 15.504 19.747 -6.358 227 HB2 SER 29 2HB SER 29 17.309 21.422 -4.735 228 HB3 SER 29 3HB SER 29 16.215 21.878 -6.040 229 HG SER 29 HG SER 29 14.767 22.391 -4.611 230 H ALA 30 H ALA 30 16.913 17.847 -4.107 231 HA ALA 30 HA ALA 30 19.651 17.946 -4.566 232 HB1 ALA 30 1HB ALA 30 17.846 16.217 -3.251 233 HB2 ALA 30 2HB ALA 30 18.865 15.220 -4.290 234 HB3 ALA 30 3HB ALA 30 19.601 16.288 -3.095 235 H ALA 31 H ALA 31 20.942 17.392 -6.209 236 HA ALA 31 HA ALA 31 19.904 16.817 -8.762 237 HB1 ALA 31 1HB ALA 31 22.739 16.170 -8.142 238 HB2 ALA 31 2HB ALA 31 22.048 17.018 -9.526 239 HB3 ALA 31 3HB ALA 31 22.205 17.842 -7.974 240 H ASN 32 H ASN 32 20.729 14.785 -6.118 241 HA ASN 32 HA ASN 32 21.102 12.403 -7.708 242 HB2 ASN 32 2HB ASN 32 21.552 13.185 -4.978 243 HB3 ASN 32 3HB ASN 32 20.608 11.699 -5.016 244 HD21 ASN 32 1HD2 ASN 32 23.613 13.211 -5.925 245 HD22 ASN 32 2HD2 ASN 32 24.490 11.749 -6.207 246 H THR 33 H THR 33 18.502 14.042 -6.110 247 HA THR 33 HA THR 33 16.710 11.785 -6.732 248 HB THR 33 HB THR 33 15.337 13.475 -4.978 249 HG1 THR 33 HG1 THR 33 16.867 14.393 -3.845 250 HG21 THR 33 1HG2 THR 33 16.519 10.767 -4.932 251 HG22 THR 33 2HG2 THR 33 14.869 11.290 -4.596 252 HG23 THR 33 3HG2 THR 33 16.118 11.466 -3.365 253 H LYS 34 H LYS 34 17.646 14.282 -8.265 254 HA LYS 34 HA LYS 34 15.104 15.649 -8.682 255 HB2 LYS 34 2HB LYS 34 17.938 16.217 -9.265 256 HB3 LYS 34 3HB LYS 34 16.806 16.750 -10.501 257 HG2 LYS 34 2HG LYS 34 15.833 17.472 -7.901 258 HG3 LYS 34 3HG LYS 34 17.485 18.053 -8.121 259 HD2 LYS 34 2HD LYS 34 15.580 18.445 -10.364 260 HD3 LYS 34 3HD LYS 34 15.364 19.446 -8.926 261 HE2 LYS 34 2HE LYS 34 17.883 19.921 -9.140 262 HE3 LYS 34 3HE LYS 34 17.722 19.283 -10.775 263 HZ1 LYS 34 1HZ LYS 34 16.127 21.536 -9.682 264 HZ2 LYS 34 2HZ LYS 34 16.106 20.967 -11.274 265 HZ3 LYS 34 3HZ LYS 34 17.495 21.713 -10.662 266 H CYS 35 H CYS 35 14.594 16.152 -11.066 267 HA CYS 35 HA CYS 35 14.786 13.634 -12.584 268 HB2 CYS 35 2HB CYS 35 12.625 15.751 -12.597 269 HB3 CYS 35 3HB CYS 35 12.670 14.370 -13.689 270 H GLU 36 H GLU 36 15.624 13.654 -14.586 271 HA GLU 36 HA GLU 36 16.738 16.159 -15.560 272 HB2 GLU 36 2HB GLU 36 18.253 14.312 -15.576 273 HB3 GLU 36 3HB GLU 36 17.091 13.285 -16.405 274 HG2 GLU 36 2HG GLU 36 18.924 14.088 -17.852 275 HG3 GLU 36 3HG GLU 36 17.319 14.538 -18.425 276 H LYS 37 H LYS 37 14.157 13.967 -16.262 277 HA LYS 37 HA LYS 37 13.302 15.713 -18.451 278 HB2 LYS 37 2HB LYS 37 14.513 13.458 -19.147 279 HB3 LYS 37 3HB LYS 37 12.927 12.775 -18.812 280 HG2 LYS 37 2HG LYS 37 11.944 13.823 -20.582 281 HG3 LYS 37 3HG LYS 37 13.077 15.177 -20.552 282 HD2 LYS 37 2HD LYS 37 14.330 12.604 -21.153 283 HD3 LYS 37 3HD LYS 37 13.124 13.102 -22.342 284 HE2 LYS 37 2HE LYS 37 14.420 15.419 -22.063 285 HE3 LYS 37 3HE LYS 37 15.734 14.321 -21.644 286 HZ1 LYS 37 1HZ LYS 37 14.120 14.006 -24.107 287 HZ2 LYS 37 2HZ LYS 37 15.601 13.279 -23.733 288 HZ3 LYS 37 3HZ LYS 37 15.531 14.938 -24.059 289 H ASP 38 H ASP 38 11.044 15.697 -18.846 290 HA ASP 38 HA ASP 38 9.457 15.393 -16.527 291 HB2 ASP 38 2HB ASP 38 7.631 16.158 -17.851 292 HB3 ASP 38 3HB ASP 38 9.059 17.010 -18.435 293 H GLY 39 H GLY 39 7.733 13.961 -16.104 294 HA2 GLY 39 2HA GLY 39 6.460 12.019 -16.377 295 HA3 GLY 39 3HA GLY 39 7.398 11.633 -17.812 296 H ASN 40 H ASN 40 9.581 12.424 -15.489 297 HA ASN 40 HA ASN 40 10.727 9.928 -15.260 298 HB2 ASN 40 2HB ASN 40 11.056 12.514 -14.000 299 HB3 ASN 40 3HB ASN 40 11.326 11.215 -12.842 300 HD21 ASN 40 1HD2 ASN 40 12.038 11.714 -16.285 301 HD22 ASN 40 2HD2 ASN 40 13.713 11.303 -16.170 302 H LYS 41 H LYS 41 11.066 8.784 -13.060 303 HA LYS 41 HA LYS 41 8.449 7.913 -12.175 304 HB2 LYS 41 2HB LYS 41 11.002 6.720 -12.432 305 HB3 LYS 41 3HB LYS 41 10.592 6.675 -10.722 306 HG2 LYS 41 2HG LYS 41 8.463 5.851 -12.588 307 HG3 LYS 41 3HG LYS 41 9.865 4.784 -12.473 308 HD2 LYS 41 2HD LYS 41 9.122 3.974 -10.541 309 HD3 LYS 41 3HD LYS 41 9.095 5.596 -9.845 310 HE2 LYS 41 2HE LYS 41 6.867 5.759 -11.276 311 HE3 LYS 41 3HE LYS 41 6.903 4.008 -11.070 312 HZ1 LYS 41 1HZ LYS 41 5.651 4.945 -9.295 313 HZ2 LYS 41 2HZ LYS 41 6.868 6.060 -8.928 314 HZ3 LYS 41 3HZ LYS 41 7.120 4.412 -8.645 315 H CYS 42 H CYS 42 7.477 8.487 -10.339 316 HA CYS 42 HA CYS 42 9.089 9.807 -8.256 317 HB2 CYS 42 2HB CYS 42 7.651 11.388 -9.607 318 HB3 CYS 42 3HB CYS 42 6.246 10.550 -8.957 319 H THR 43 H THR 43 8.171 9.692 -6.090 320 HA THR 43 HA THR 43 6.219 7.551 -5.671 321 HB THR 43 HB THR 43 8.117 7.176 -3.638 322 HG1 THR 43 HG1 THR 43 9.927 7.746 -4.581 323 HG21 THR 43 1HG2 THR 43 8.334 4.960 -4.586 324 HG22 THR 43 2HG2 THR 43 7.693 5.522 -6.129 325 HG23 THR 43 3HG2 THR 43 6.654 5.482 -4.705 326 H TYR 44 H TYR 44 4.954 7.801 -3.878 327 HA TYR 44 HA TYR 44 5.572 10.057 -2.093 328 HB2 TYR 44 2HB TYR 44 3.902 10.997 -3.430 329 HB3 TYR 44 3HB TYR 44 3.026 9.477 -3.576 330 HD1 TYR 44 HD1 TYR 44 4.162 11.687 -0.773 331 HD2 TYR 44 HD2 TYR 44 0.985 9.461 -2.521 332 HE1 TYR 44 HE1 TYR 44 2.679 12.373 1.065 333 HE2 TYR 44 HE2 TYR 44 -0.508 10.142 -0.689 334 HH TYR 44 HH TYR 44 -0.059 12.609 1.229 335 H ASP 45 H ASP 45 5.634 9.464 -0.038 336 HA ASP 45 HA ASP 45 4.305 6.966 0.751 337 HB2 ASP 45 2HB ASP 45 6.827 7.317 1.075 338 HB3 ASP 45 3HB ASP 45 6.384 8.434 2.363 339 H SER 46 H SER 46 2.475 7.122 1.848 340 HA SER 46 HA SER 46 1.630 9.637 2.973 341 HB2 SER 46 2HB SER 46 -0.458 8.791 2.807 342 HB3 SER 46 3HB SER 46 0.297 7.496 1.878 343 HG SER 46 HG SER 46 -0.058 6.166 3.468 344 H TYR 47 H TYR 47 3.406 7.007 4.081 345 HA TYR 47 HA TYR 47 2.518 7.069 6.820 346 HB2 TYR 47 2HB TYR 47 3.472 5.033 5.694 347 HB3 TYR 47 3HB TYR 47 5.042 5.829 5.710 348 HD1 TYR 47 HD1 TYR 47 6.434 5.648 7.578 349 HD2 TYR 47 HD2 TYR 47 2.312 4.666 7.956 350 HE1 TYR 47 HE1 TYR 47 6.853 4.785 9.843 351 HE2 TYR 47 HE2 TYR 47 2.719 3.802 10.222 352 HH TYR 47 HH TYR 47 4.203 3.601 11.877 353 H ASN 48 H ASN 48 5.326 8.246 5.007 354 HA ASN 48 HA ASN 48 6.140 9.789 7.377 355 HB2 ASN 48 2HB ASN 48 8.184 9.941 5.461 356 HB3 ASN 48 3HB ASN 48 8.184 8.987 6.941 357 HD21 ASN 48 1HD2 ASN 48 8.477 8.878 3.648 358 HD22 ASN 48 2HD2 ASN 48 8.202 7.190 3.401 359 H ARG 49 H ARG 49 4.404 10.149 4.646 360 HA ARG 49 HA ARG 49 3.799 11.891 3.307 361 HB2 ARG 49 2HB ARG 49 4.818 13.678 5.509 362 HB3 ARG 49 3HB ARG 49 3.505 13.987 4.382 363 HG2 ARG 49 2HG ARG 49 2.458 11.865 5.523 364 HG3 ARG 49 3HG ARG 49 3.545 12.314 6.838 365 HD2 ARG 49 2HD ARG 49 1.792 14.382 5.582 366 HD3 ARG 49 3HD ARG 49 1.116 13.261 6.764 367 HE ARG 49 HE ARG 49 3.417 14.304 7.890 368 HH11 ARG 49 1HH1 ARG 49 0.350 15.492 6.749 369 HH12 ARG 49 2HH1 ARG 49 0.304 16.821 7.860 370 HH21 ARG 49 1HH2 ARG 49 3.369 16.051 9.357 371 HH22 ARG 49 2HH2 ARG 49 2.022 17.139 9.342 372 H LYS 50 H LYS 50 6.529 10.891 3.059 373 HA LYS 50 HA LYS 50 7.906 13.325 2.136 374 HB2 LYS 50 2HB LYS 50 9.380 12.335 3.630 375 HB3 LYS 50 3HB LYS 50 8.896 10.703 3.186 376 HG2 LYS 50 2HG LYS 50 10.331 10.602 1.435 377 HG3 LYS 50 3HG LYS 50 10.220 12.331 1.099 378 HD2 LYS 50 2HD LYS 50 12.245 12.472 2.042 379 HD3 LYS 50 3HD LYS 50 11.401 12.268 3.579 380 HE2 LYS 50 2HE LYS 50 11.710 9.826 3.384 381 HE3 LYS 50 3HE LYS 50 12.623 10.081 1.898 382 HZ1 LYS 50 1HZ LYS 50 13.774 9.881 4.261 383 HZ2 LYS 50 2HZ LYS 50 13.508 11.552 4.253 384 HZ3 LYS 50 3HZ LYS 50 14.417 10.834 3.020 385 H VAL 51 H VAL 51 8.525 13.518 0.038 386 HA VAL 51 HA VAL 51 7.734 11.333 -1.775 387 HB VAL 51 HB VAL 51 7.904 14.279 -2.423 388 HG11 VAL 51 1HG1 VAL 51 6.577 12.134 -4.052 389 HG12 VAL 51 2HG1 VAL 51 7.048 13.763 -4.543 390 HG13 VAL 51 3HG1 VAL 51 8.282 12.535 -4.255 391 HG21 VAL 51 1HG2 VAL 51 5.851 14.530 -1.616 392 HG22 VAL 51 2HG2 VAL 51 5.264 13.207 -2.624 393 HG23 VAL 51 3HG2 VAL 51 5.902 12.872 -1.014 394 H LYS 52 H LYS 52 9.356 10.314 -2.727 395 HA LYS 52 HA LYS 52 11.894 11.758 -3.121 396 HB2 LYS 52 2HB LYS 52 12.235 9.960 -1.581 397 HB3 LYS 52 3HB LYS 52 11.353 8.834 -2.605 398 HG2 LYS 52 2HG LYS 52 13.121 9.019 -4.301 399 HG3 LYS 52 3HG LYS 52 14.013 10.101 -3.229 400 HD2 LYS 52 2HD LYS 52 13.201 7.296 -2.484 401 HD3 LYS 52 3HD LYS 52 14.769 7.711 -3.181 402 HE2 LYS 52 2HE LYS 52 15.182 9.230 -1.291 403 HE3 LYS 52 3HE LYS 52 13.632 8.766 -0.592 404 HZ1 LYS 52 1HZ LYS 52 14.635 6.387 -0.803 405 HZ2 LYS 52 2HZ LYS 52 15.054 7.374 0.505 406 HZ3 LYS 52 3HZ LYS 52 16.113 7.212 -0.804 407 H CYS 53 H CYS 53 12.775 11.850 -5.117 408 HA CYS 53 HA CYS 53 11.356 10.431 -7.276 409 HB2 CYS 53 2HB CYS 53 12.558 13.192 -7.193 410 HB3 CYS 53 3HB CYS 53 12.235 12.370 -8.717 411 H ASP 54 H ASP 54 12.571 9.565 -8.970 412 HA ASP 54 HA ASP 54 15.487 9.550 -8.618 413 HB2 ASP 54 2HB ASP 54 15.233 7.051 -9.431 414 HB3 ASP 54 3HB ASP 54 15.087 7.464 -7.725 415 H PHE 55 H PHE 55 16.698 9.271 -10.507 416 HA PHE 55 HA PHE 55 15.842 10.495 -12.795 417 HB2 PHE 55 2HB PHE 55 17.792 9.690 -13.865 418 HB3 PHE 55 3HB PHE 55 18.213 9.792 -12.158 419 HD1 PHE 55 HD1 PHE 55 19.390 8.077 -14.517 420 HD2 PHE 55 HD2 PHE 55 16.731 7.275 -11.292 421 HE1 PHE 55 HE1 PHE 55 20.070 5.712 -14.549 422 HE2 PHE 55 HE2 PHE 55 17.407 4.910 -11.318 423 HZ PHE 55 HZ PHE 55 19.079 4.126 -12.947 424 H ARG 56 H ARG 56 15.540 9.572 -14.996 425 HA ARG 56 HA ARG 56 14.602 6.904 -15.314 426 HB2 ARG 56 2HB ARG 56 12.713 8.769 -14.323 427 HB3 ARG 56 3HB ARG 56 12.296 8.459 -16.003 428 HG2 ARG 56 2HG ARG 56 12.617 6.404 -13.826 429 HG3 ARG 56 3HG ARG 56 11.105 6.940 -14.561 430 HD2 ARG 56 2HD ARG 56 12.227 6.178 -16.780 431 HD3 ARG 56 3HD ARG 56 13.282 5.248 -15.717 432 HE ARG 56 HE ARG 56 11.547 3.810 -15.310 433 HH11 ARG 56 1HH1 ARG 56 10.306 6.717 -16.768 434 HH12 ARG 56 2HH1 ARG 56 8.708 6.084 -16.981 435 HH21 ARG 56 1HH2 ARG 56 9.446 2.965 -15.586 436 HH22 ARG 56 2HH2 ARG 56 8.219 3.950 -16.307 437 H HIS 57 H HIS 57 14.145 6.385 -17.486 438 HA HIS 57 HA HIS 57 14.337 6.546 -19.748 439 HB2 HIS 57 2HB HIS 57 12.976 8.865 -18.970 440 HB3 HIS 57 3HB HIS 57 14.236 9.424 -20.065 441 HD1 HIS 57 HD1 HIS 57 14.280 7.289 -22.179 442 HD2 HIS 57 HD2 HIS 57 10.756 8.718 -20.505 443 HE1 HIS 57 HE1 HIS 57 12.483 6.788 -23.865
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