NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
10830 | 1qfr | 4774 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HN MET 1 -2.007 -12.842 -8.620 2 HA MET 1 HA MET 1 -0.184 -11.429 -8.317 3 1HB MET 1 HB2 MET 1 0.614 -11.774 -11.229 4 2HB MET 1 HB3 MET 1 1.616 -11.285 -9.877 5 1HG MET 1 HG2 MET 1 1.515 -13.600 -8.947 6 2HG MET 1 HG3 MET 1 0.477 -14.096 -10.269 7 1HE MET 1 HE1 MET 1 3.854 -14.505 -9.063 8 2HE MET 1 HE2 MET 1 4.970 -13.757 -10.231 9 3HE MET 1 HE3 MET 1 3.931 -12.733 -9.212 10 H GLU 2 HN GLU 2 -1.561 -9.682 -8.145 11 HA GLU 2 HA GLU 2 -2.166 -8.353 -10.641 12 1HB GLU 2 HB2 GLU 2 -4.272 -8.914 -8.505 13 2HB GLU 2 HB3 GLU 2 -4.516 -7.926 -9.932 14 1HG GLU 2 HG2 GLU 2 -3.591 -10.168 -11.153 15 2HG GLU 2 HG3 GLU 2 -4.249 -10.913 -9.709 16 H LYS 3 HN LYS 3 -1.995 -6.108 -10.494 17 HA LYS 3 HA LYS 3 -1.359 -5.108 -7.809 18 1HB LYS 3 HB2 LYS 3 0.424 -4.103 -8.685 19 2HB LYS 3 HB3 LYS 3 0.146 -5.030 -10.145 20 1HG LYS 3 HG2 LYS 3 -1.533 -3.132 -10.802 21 2HG LYS 3 HG3 LYS 3 -0.779 -2.200 -9.524 22 1HD LYS 3 HD2 LYS 3 0.365 -1.655 -11.593 23 2HD LYS 3 HD3 LYS 3 1.470 -2.600 -10.615 24 1HE LYS 3 HE2 LYS 3 1.465 -4.372 -12.079 25 2HE LYS 3 HE3 LYS 3 -0.257 -4.249 -12.384 26 1HZ LYS 3 HZ1 LYS 3 1.910 -3.080 -13.814 27 2HZ LYS 3 HZ2 LYS 3 0.390 -3.408 -14.314 28 3HZ LYS 3 HZ3 LYS 3 0.705 -2.020 -13.512 29 H LYS 4 HN LYS 4 -2.159 -2.974 -7.212 30 HA LYS 4 HA LYS 4 -4.391 -2.052 -8.857 31 1HB LYS 4 HB2 LYS 4 -5.175 -3.635 -7.023 32 2HB LYS 4 HB3 LYS 4 -4.645 -2.432 -5.865 33 1HG LYS 4 HG2 LYS 4 -6.964 -1.967 -6.234 34 2HG LYS 4 HG3 LYS 4 -6.102 -0.730 -7.126 35 1HD LYS 4 HD2 LYS 4 -6.322 -2.150 -9.215 36 2HD LYS 4 HD3 LYS 4 -7.290 -3.288 -8.299 37 1HE LYS 4 HE2 LYS 4 -8.934 -1.457 -7.784 38 2HE LYS 4 HE3 LYS 4 -7.973 -0.340 -8.733 39 1HZ LYS 4 HZ1 LYS 4 -9.089 -1.059 -10.470 40 2HZ LYS 4 HZ2 LYS 4 -8.379 -2.523 -10.328 41 3HZ LYS 4 HZ3 LYS 4 -9.825 -2.245 -9.622 42 H GLU 5 HN GLU 5 -3.866 -0.012 -9.414 43 HA GLU 5 HA GLU 5 -2.057 1.440 -7.753 44 1HB GLU 5 HB2 GLU 5 -3.524 2.427 -10.233 45 2HB GLU 5 HB3 GLU 5 -2.057 3.090 -9.540 46 1HG GLU 5 HG2 GLU 5 -0.857 1.699 -10.867 47 2HG GLU 5 HG3 GLU 5 -1.482 0.343 -9.950 48 H PHE 6 HN PHE 6 -2.557 3.783 -7.126 49 HA PHE 6 HA PHE 6 -5.295 4.515 -6.897 50 1HB PHE 6 HB2 PHE 6 -3.642 3.716 -4.425 51 2HB PHE 6 HB3 PHE 6 -5.236 4.441 -4.356 52 HD1 PHE 6 HD1 PHE 6 -3.367 1.384 -4.815 53 HD2 PHE 6 HD2 PHE 6 -7.211 3.146 -5.161 54 HE1 PHE 6 HE1 PHE 6 -4.408 -0.899 -4.883 55 HE2 PHE 6 HE2 PHE 6 -8.252 0.863 -5.229 56 HZ PHE 6 HZ PHE 6 -6.838 -1.132 -5.089 57 H HIS 7 HN HIS 7 -5.305 6.447 -5.029 58 HA HIS 7 HA HIS 7 -2.820 7.922 -5.238 59 1HB HIS 7 HB2 HIS 7 -3.583 9.032 -7.035 60 2HB HIS 7 HB3 HIS 7 -5.241 8.525 -6.782 61 HD1 HIS 7 HD1 HIS 7 -3.477 11.519 -7.041 62 HD2 HIS 7 HD2 HIS 7 -6.186 10.075 -4.182 63 HE1 HIS 7 HE1 HIS 7 -4.404 13.568 -5.836 64 H ILE 8 HN ILE 8 -2.470 9.288 -3.473 65 HA ILE 8 HA ILE 8 -4.038 8.754 -1.190 66 HB ILE 8 HB ILE 8 -1.864 10.783 -1.713 67 1HG1 ILE 8 HG12 ILE 8 -0.690 8.856 -1.915 68 2HG1 ILE 8 HG13 ILE 8 -0.694 8.947 -0.165 69 1HG2 ILE 8 HG21 ILE 8 -3.226 9.945 0.854 70 2HG2 ILE 8 HG22 ILE 8 -1.636 10.745 0.802 71 3HG2 ILE 8 HG23 ILE 8 -3.074 11.579 0.165 72 1HD1 ILE 8 HD11 ILE 8 -2.810 7.531 -0.165 73 2HD1 ILE 8 HD12 ILE 8 -2.584 7.317 -1.918 74 3HD1 ILE 8 HD13 ILE 8 -1.362 6.700 -0.781 75 H VAL 9 HN VAL 9 -5.890 9.682 -0.501 76 HA VAL 9 HA VAL 9 -6.567 12.281 -1.698 77 HB VAL 9 HB VAL 9 -8.940 11.536 -1.349 78 1HG1 VAL 9 HG11 VAL 9 -7.675 9.582 -3.230 79 2HG1 VAL 9 HG12 VAL 9 -9.059 10.675 -3.472 80 3HG1 VAL 9 HG13 VAL 9 -7.400 11.319 -3.504 81 1HG2 VAL 9 HG21 VAL 9 -8.647 9.771 0.265 82 2HG2 VAL 9 HG22 VAL 9 -9.317 9.064 -1.224 83 3HG2 VAL 9 HG23 VAL 9 -7.589 8.866 -0.844 84 H ALA 10 HN ALA 10 -5.288 10.968 0.996 85 HA ALA 10 HA ALA 10 -7.052 12.197 2.929 86 1HB ALA 10 HB1 ALA 10 -6.165 10.205 3.744 87 2HB ALA 10 HB2 ALA 10 -4.582 10.473 2.977 88 3HB ALA 10 HB3 ALA 10 -5.034 11.395 4.430 89 H GLU 11 HN GLU 11 -4.330 13.026 0.924 90 HA GLU 11 HA GLU 11 -2.906 14.687 0.918 91 1HB GLU 11 HB2 GLU 11 -3.906 16.919 1.096 92 2HB GLU 11 HB3 GLU 11 -5.031 15.828 0.312 93 1HG GLU 11 HG2 GLU 11 -6.323 15.557 2.366 94 2HG GLU 11 HG3 GLU 11 -5.112 16.406 3.307 95 H THR 12 HN THR 12 -3.299 13.141 3.583 96 HA THR 12 HA THR 12 -2.643 15.086 5.595 97 HB THR 12 HB THR 12 -3.827 12.601 5.578 98 HG1 THR 12 HG1 THR 12 -2.230 14.099 7.518 99 1HG2 THR 12 HG21 THR 12 -2.190 11.214 7.001 100 2HG2 THR 12 HG22 THR 12 -1.810 11.273 5.263 101 3HG2 THR 12 HG23 THR 12 -0.899 12.287 6.408 102 H GLY 13 HN GLY 13 -0.834 12.281 4.160 103 1HA GLY 13 HA1 GLY 13 1.421 13.218 3.312 104 2HA GLY 13 HA2 GLY 13 1.652 13.604 5.006 105 H ILE 14 HN ILE 14 -0.292 10.771 4.180 106 HA ILE 14 HA ILE 14 0.016 8.688 5.000 107 HB ILE 14 HB ILE 14 1.999 9.163 2.807 108 1HG1 ILE 14 HG12 ILE 14 0.431 8.154 1.426 109 2HG1 ILE 14 HG13 ILE 14 -0.334 7.276 2.735 110 1HG2 ILE 14 HG21 ILE 14 1.680 6.376 3.074 111 2HG2 ILE 14 HG22 ILE 14 3.164 7.337 3.283 112 3HG2 ILE 14 HG23 ILE 14 2.127 6.986 4.686 113 1HD1 ILE 14 HD11 ILE 14 -0.452 10.304 2.349 114 2HD1 ILE 14 HD12 ILE 14 -1.757 9.157 1.962 115 3HD1 ILE 14 HD13 ILE 14 -1.252 9.394 3.652 116 H HIS 15 HN HIS 15 0.590 9.513 7.208 117 HA HIS 15 HA HIS 15 3.437 9.252 7.768 118 1HB HIS 15 HB2 HIS 15 2.497 10.047 10.107 119 2HB HIS 15 HB3 HIS 15 2.819 11.176 8.806 120 HD2 HIS 15 HD2 HIS 15 0.532 12.369 7.637 121 HE1 HIS 15 HE1 HIS 15 -2.258 10.723 10.396 122 HE2 HIS 15 HE2 HIS 15 -1.854 12.464 8.525 123 H ALA 16 HN ALA 16 3.715 8.249 10.192 124 HA ALA 16 HA ALA 16 3.502 5.584 10.003 125 1HB ALA 16 HB1 ALA 16 4.009 5.522 12.304 126 2HB ALA 16 HB2 ALA 16 4.595 7.123 11.792 127 3HB ALA 16 HB3 ALA 16 3.043 6.976 12.651 128 H ARG 17 HN ARG 17 0.936 7.886 10.953 129 HA ARG 17 HA ARG 17 -0.807 5.980 11.956 130 1HB ARG 17 HB2 ARG 17 -0.933 8.821 11.072 131 2HB ARG 17 HB3 ARG 17 -2.460 7.972 10.930 132 1HG ARG 17 HG2 ARG 17 -2.326 8.988 13.152 133 2HG ARG 17 HG3 ARG 17 -2.268 7.245 13.325 134 1HD ARG 17 HD2 ARG 17 -0.400 7.611 14.590 135 2HD ARG 17 HD3 ARG 17 0.425 7.847 13.061 136 HE ARG 17 HE ARG 17 -0.557 10.349 13.492 137 1HH1 ARG 17 HH22 ARG 17 1.124 8.134 15.649 138 2HH1 ARG 17 HH21 ARG 17 1.837 9.396 16.597 139 1HH2 ARG 17 HH12 ARG 17 0.383 12.014 14.743 140 2HH2 ARG 17 HH11 ARG 17 1.413 11.618 16.078 141 HA PRO 18 HA PRO 18 -2.826 5.852 7.699 142 1HB PRO 18 HB2 PRO 18 -2.220 7.680 5.760 143 2HB PRO 18 HB3 PRO 18 -3.546 7.883 6.888 144 1HG PRO 18 HG2 PRO 18 -0.915 9.230 6.858 145 2HG PRO 18 HG3 PRO 18 -2.382 9.707 7.689 146 1HD PRO 18 HD2 PRO 18 -0.071 8.474 8.858 147 2HD PRO 18 HD3 PRO 18 -1.582 8.845 9.665 148 H ALA 19 HN ALA 19 0.530 6.710 7.580 149 HA ALA 19 HA ALA 19 1.186 5.424 5.214 150 1HB ALA 19 HB1 ALA 19 2.592 6.980 6.658 151 2HB ALA 19 HB2 ALA 19 2.904 5.583 7.716 152 3HB ALA 19 HB3 ALA 19 3.441 5.552 6.019 153 H THR 20 HN THR 20 1.238 4.173 8.627 154 HA THR 20 HA THR 20 1.843 1.521 7.767 155 HB THR 20 HB THR 20 0.638 2.121 10.461 156 HG1 THR 20 HG1 THR 20 3.343 2.853 10.103 157 1HG2 THR 20 HG21 THR 20 2.727 0.940 11.203 158 2HG2 THR 20 HG22 THR 20 1.789 -0.051 10.061 159 3HG2 THR 20 HG23 THR 20 3.240 0.816 9.503 160 H LEU 21 HN LEU 21 -1.140 3.348 8.493 161 HA LEU 21 HA LEU 21 -2.957 1.419 8.863 162 1HB LEU 21 HB2 LEU 21 -3.201 3.958 8.599 163 2HB LEU 21 HB3 LEU 21 -3.425 3.643 6.889 164 HG LEU 21 HG LEU 21 -5.174 2.719 9.178 165 1HD1 LEU 21 HD11 LEU 21 -5.468 5.049 8.434 166 2HD1 LEU 21 HD12 LEU 21 -5.782 4.470 6.780 167 3HD1 LEU 21 HD13 LEU 21 -6.898 4.043 8.099 168 1HD2 LEU 21 HD21 LEU 21 -5.062 0.851 7.694 169 2HD2 LEU 21 HD22 LEU 21 -6.611 1.681 7.407 170 3HD2 LEU 21 HD23 LEU 21 -5.261 1.895 6.266 171 H LEU 22 HN LEU 22 -1.675 2.448 5.627 172 HA LEU 22 HA LEU 22 -3.098 0.384 4.289 173 1HB LEU 22 HB2 LEU 22 -1.613 1.083 2.374 174 2HB LEU 22 HB3 LEU 22 -2.692 2.295 3.036 175 HG LEU 22 HG LEU 22 -0.243 2.564 4.437 176 1HD1 LEU 22 HD11 LEU 22 0.688 1.218 2.504 177 2HD1 LEU 22 HD12 LEU 22 0.272 2.598 1.459 178 3HD1 LEU 22 HD13 LEU 22 1.436 2.807 2.790 179 1HD2 LEU 22 HD21 LEU 22 -0.762 4.471 2.256 180 2HD2 LEU 22 HD22 LEU 22 -2.147 4.181 3.336 181 3HD2 LEU 22 HD23 LEU 22 -0.595 4.736 4.008 182 H VAL 23 HN VAL 23 0.388 0.904 5.162 183 HA VAL 23 HA VAL 23 1.302 -1.516 4.177 184 HB VAL 23 HB VAL 23 3.269 -0.905 5.089 185 1HG1 VAL 23 HG11 VAL 23 2.199 1.742 5.915 186 2HG1 VAL 23 HG12 VAL 23 3.515 1.332 4.788 187 3HG1 VAL 23 HG13 VAL 23 1.820 1.219 4.256 188 1HG2 VAL 23 HG21 VAL 23 1.702 -0.259 7.586 189 2HG2 VAL 23 HG22 VAL 23 2.987 -1.466 7.343 190 3HG2 VAL 23 HG23 VAL 23 3.392 0.266 7.398 191 H GLN 24 HN GLN 24 -0.051 -0.637 7.411 192 HA GLN 24 HA GLN 24 0.436 -3.059 8.614 193 1HB GLN 24 HB2 GLN 24 -1.198 -2.368 10.274 194 2HB GLN 24 HB3 GLN 24 -0.308 -0.950 9.756 195 1HG GLN 24 HG2 GLN 24 -2.125 -0.054 8.582 196 2HG GLN 24 HG3 GLN 24 -2.830 -1.624 8.253 197 1HE2 GLN 24 HE21 GLN 24 -4.829 -1.294 9.018 198 2HE2 GLN 24 HE22 GLN 24 -5.234 -0.976 10.672 199 H THR 25 HN THR 25 -2.220 -1.981 6.460 200 HA THR 25 HA THR 25 -3.644 -4.481 6.827 201 HB THR 25 HB THR 25 -4.146 -1.756 5.800 202 HG1 THR 25 HG1 THR 25 -5.633 -4.132 6.668 203 1HG2 THR 25 HG21 THR 25 -6.104 -2.815 4.364 204 2HG2 THR 25 HG22 THR 25 -4.508 -2.598 3.607 205 3HG2 THR 25 HG23 THR 25 -4.997 -4.201 4.207 206 H ALA 26 HN ALA 26 -1.282 -3.032 4.644 207 HA ALA 26 HA ALA 26 -1.791 -5.013 2.605 208 1HB ALA 26 HB1 ALA 26 0.330 -3.841 1.648 209 2HB ALA 26 HB2 ALA 26 -1.185 -2.911 1.739 210 3HB ALA 26 HB3 ALA 26 0.084 -2.666 2.963 211 H SER 27 HN SER 27 0.523 -4.317 5.256 212 HA SER 27 HA SER 27 2.083 -6.610 4.488 213 1HB SER 27 HB2 SER 27 3.312 -4.644 5.223 214 2HB SER 27 HB3 SER 27 2.375 -4.537 6.700 215 HG SER 27 HG SER 27 3.727 -5.903 7.628 216 H LYS 28 HN LYS 28 -0.513 -7.401 5.069 217 HA LYS 28 HA LYS 28 -0.062 -8.988 7.446 218 1HB LYS 28 HB2 LYS 28 -2.343 -8.415 8.337 219 2HB LYS 28 HB3 LYS 28 -1.135 -7.156 8.500 220 1HG LYS 28 HG2 LYS 28 -3.029 -5.994 7.675 221 2HG LYS 28 HG3 LYS 28 -2.040 -6.221 6.246 222 1HD LYS 28 HD2 LYS 28 -4.306 -6.824 5.644 223 2HD LYS 28 HD3 LYS 28 -3.381 -8.311 5.715 224 1HE LYS 28 HE2 LYS 28 -4.521 -7.648 8.342 225 2HE LYS 28 HE3 LYS 28 -5.770 -7.739 7.117 226 1HZ LYS 28 HZ1 LYS 28 -3.726 -9.820 7.379 227 2HZ LYS 28 HZ2 LYS 28 -5.118 -9.866 8.231 228 3HZ LYS 28 HZ3 LYS 28 -5.159 -9.908 6.599 229 H PHE 29 HN PHE 29 -0.273 -9.151 4.382 230 HA PHE 29 HA PHE 29 -2.479 -11.089 4.334 231 1HB PHE 29 HB2 PHE 29 -1.139 -9.422 2.118 232 2HB PHE 29 HB3 PHE 29 -2.456 -10.546 1.844 233 HD1 PHE 29 HD1 PHE 29 -4.188 -9.891 4.194 234 HD2 PHE 29 HD2 PHE 29 -2.078 -7.371 1.509 235 HE1 PHE 29 HE1 PHE 29 -5.843 -8.053 4.617 236 HE2 PHE 29 HE2 PHE 29 -3.734 -5.533 1.933 237 HZ PHE 29 HZ PHE 29 -5.597 -5.896 3.482 238 H ASN 30 HN ASN 30 -2.092 -13.149 3.441 239 HA ASN 30 HA ASN 30 0.563 -14.009 3.629 240 1HB ASN 30 HB2 ASN 30 -2.101 -15.209 2.941 241 2HB ASN 30 HB3 ASN 30 -0.710 -16.070 2.313 242 1HD2 ASN 30 HD21 ASN 30 0.843 -16.917 3.717 243 2HD2 ASN 30 HD22 ASN 30 0.519 -17.227 5.390 244 H SER 31 HN SER 31 -0.868 -12.128 1.307 245 HA SER 31 HA SER 31 0.432 -13.495 -0.907 246 1HB SER 31 HB2 SER 31 -1.842 -11.513 -0.713 247 2HB SER 31 HB3 SER 31 -0.919 -11.601 -2.201 248 HG SER 31 HG SER 31 -1.731 -14.094 -1.146 249 H ASP 32 HN ASP 32 1.187 -11.646 -2.655 250 HA ASP 32 HA ASP 32 3.097 -10.105 -1.150 251 1HB ASP 32 HB2 ASP 32 2.924 -11.311 -3.819 252 2HB ASP 32 HB3 ASP 32 3.444 -9.641 -3.929 253 H ILE 33 HN ILE 33 2.007 -8.212 -0.420 254 HA ILE 33 HA ILE 33 0.795 -6.582 -2.544 255 HB ILE 33 HB ILE 33 -0.833 -7.602 -0.943 256 1HG1 ILE 33 HG12 ILE 33 -0.955 -5.288 -2.224 257 2HG1 ILE 33 HG13 ILE 33 -2.217 -5.802 -1.121 258 1HG2 ILE 33 HG21 ILE 33 0.963 -6.299 0.990 259 2HG2 ILE 33 HG22 ILE 33 -0.769 -5.994 1.264 260 3HG2 ILE 33 HG23 ILE 33 -0.160 -7.665 1.194 261 1HD1 ILE 33 HD11 ILE 33 0.126 -4.243 -0.019 262 2HD1 ILE 33 HD12 ILE 33 -1.162 -3.382 -0.895 263 3HD1 ILE 33 HD13 ILE 33 -1.553 -4.318 0.568 264 H ASN 34 HN ASN 34 1.724 -4.622 -2.856 265 HA ASN 34 HA ASN 34 3.209 -3.518 -0.626 266 1HB ASN 34 HB2 ASN 34 4.279 -3.759 -3.488 267 2HB ASN 34 HB3 ASN 34 5.084 -2.898 -2.191 268 1HD2 ASN 34 HD21 ASN 34 6.364 -4.883 -3.519 269 2HD2 ASN 34 HD22 ASN 34 6.599 -6.271 -2.511 270 H LEU 35 HN LEU 35 4.035 -1.133 -1.531 271 HA LEU 35 HA LEU 35 1.754 -0.010 -3.004 272 1HB LEU 35 HB2 LEU 35 1.385 1.476 -1.413 273 2HB LEU 35 HB3 LEU 35 2.349 0.441 -0.378 274 HG LEU 35 HG LEU 35 4.359 1.787 -0.914 275 1HD1 LEU 35 HD11 LEU 35 3.351 4.179 -1.905 276 2HD1 LEU 35 HD12 LEU 35 4.346 2.993 -2.784 277 3HD1 LEU 35 HD13 LEU 35 2.571 2.931 -2.906 278 1HD2 LEU 35 HD21 LEU 35 1.949 2.907 0.432 279 2HD2 LEU 35 HD22 LEU 35 3.550 2.492 1.090 280 3HD2 LEU 35 HD23 LEU 35 3.331 3.996 0.163 281 H GLU 36 HN GLU 36 2.204 1.551 -4.596 282 HA GLU 36 HA GLU 36 5.050 1.953 -5.076 283 1HB GLU 36 HB2 GLU 36 4.257 0.264 -6.664 284 2HB GLU 36 HB3 GLU 36 2.899 1.270 -7.126 285 1HG GLU 36 HG2 GLU 36 5.529 2.628 -7.386 286 2HG GLU 36 HG3 GLU 36 5.361 1.218 -8.413 287 H TYR 37 HN TYR 37 5.526 4.101 -4.961 288 HA TYR 37 HA TYR 37 3.401 5.973 -5.766 289 1HB TYR 37 HB2 TYR 37 3.880 6.051 -3.341 290 2HB TYR 37 HB3 TYR 37 5.607 5.958 -3.625 291 HD1 TYR 37 HD1 TYR 37 3.429 8.172 -5.623 292 HD2 TYR 37 HD2 TYR 37 6.119 7.925 -2.305 293 HE1 TYR 37 HE1 TYR 37 3.581 10.708 -5.548 294 HE2 TYR 37 HE2 TYR 37 6.261 10.463 -2.241 295 HH TYR 37 HH TYR 37 4.318 12.433 -4.463 296 H LYS 38 HN LYS 38 3.867 7.245 -7.490 297 HA LYS 38 HA LYS 38 5.023 8.443 -8.951 298 1HB LYS 38 HB2 LYS 38 7.483 7.995 -7.236 299 2HB LYS 38 HB3 LYS 38 7.285 9.200 -8.492 300 1HG LYS 38 HG2 LYS 38 5.089 9.770 -6.952 301 2HG LYS 38 HG3 LYS 38 6.165 9.147 -5.717 302 1HD LYS 38 HD2 LYS 38 7.001 11.302 -7.711 303 2HD LYS 38 HD3 LYS 38 6.309 11.672 -6.144 304 1HE LYS 38 HE2 LYS 38 8.191 10.146 -5.158 305 2HE LYS 38 HE3 LYS 38 8.944 10.268 -6.736 306 1HZ LYS 38 HZ1 LYS 38 8.798 12.700 -6.477 307 2HZ LYS 38 HZ2 LYS 38 8.275 12.494 -4.944 308 3HZ LYS 38 HZ3 LYS 38 9.767 11.988 -5.372 309 H GLY 39 HN GLY 39 5.438 5.199 -8.196 310 1HA GLY 39 HA1 GLY 39 5.572 3.819 -10.239 311 2HA GLY 39 HA2 GLY 39 7.004 4.735 -10.665 312 H LYS 40 HN LYS 40 7.133 4.598 -7.342 313 HA LYS 40 HA LYS 40 8.935 2.310 -7.466 314 1HB LYS 40 HB2 LYS 40 10.038 4.190 -6.607 315 2HB LYS 40 HB3 LYS 40 8.663 4.692 -5.644 316 1HG LYS 40 HG2 LYS 40 8.942 2.707 -4.170 317 2HG LYS 40 HG3 LYS 40 10.278 2.145 -5.154 318 1HD LYS 40 HD2 LYS 40 11.752 3.556 -4.142 319 2HD LYS 40 HD3 LYS 40 10.683 4.933 -4.329 320 1HE LYS 40 HE2 LYS 40 9.307 3.862 -2.360 321 2HE LYS 40 HE3 LYS 40 10.741 2.897 -2.073 322 1HZ LYS 40 HZ1 LYS 40 10.756 5.830 -2.222 323 2HZ LYS 40 HZ2 LYS 40 10.685 4.984 -0.827 324 3HZ LYS 40 HZ3 LYS 40 12.003 4.872 -1.784 325 H SER 41 HN SER 41 8.061 0.365 -7.007 326 HA SER 41 HA SER 41 5.865 0.359 -5.100 327 1HB SER 41 HB2 SER 41 5.770 -0.677 -7.534 328 2HB SER 41 HB3 SER 41 6.646 -2.013 -6.812 329 HG SER 41 HG SER 41 4.509 -1.259 -5.220 330 H VAL 42 HN VAL 42 6.347 -0.289 -3.037 331 HA VAL 42 HA VAL 42 8.246 -2.450 -2.681 332 HB VAL 42 HB VAL 42 9.768 -1.321 -1.387 333 1HG1 VAL 42 HG11 VAL 42 10.047 -0.590 -3.677 334 2HG1 VAL 42 HG12 VAL 42 8.852 0.710 -3.450 335 3HG1 VAL 42 HG13 VAL 42 10.407 0.770 -2.585 336 1HG2 VAL 42 HG21 VAL 42 8.007 1.124 -1.111 337 2HG2 VAL 42 HG22 VAL 42 7.923 -0.245 0.023 338 3HG2 VAL 42 HG23 VAL 42 9.439 0.669 -0.156 339 H ASN 43 HN ASN 43 7.939 -3.569 -0.677 340 HA ASN 43 HA ASN 43 5.447 -3.917 0.134 341 1HB ASN 43 HB2 ASN 43 7.607 -3.923 2.267 342 2HB ASN 43 HB3 ASN 43 6.331 -5.095 2.005 343 1HD2 ASN 43 HD21 ASN 43 9.546 -4.220 1.402 344 2HD2 ASN 43 HD22 ASN 43 9.991 -5.476 0.295 345 H LEU 44 HN LEU 44 4.276 -1.870 0.298 346 HA LEU 44 HA LEU 44 4.689 0.432 1.314 347 1HB LEU 44 HB2 LEU 44 2.433 -0.487 2.820 348 2HB LEU 44 HB3 LEU 44 2.494 0.560 1.416 349 HG LEU 44 HG LEU 44 2.537 -1.470 -0.045 350 1HD1 LEU 44 HD11 LEU 44 3.472 -3.029 1.634 351 2HD1 LEU 44 HD12 LEU 44 1.921 -2.985 2.506 352 3HD1 LEU 44 HD13 LEU 44 1.995 -3.645 0.855 353 1HD2 LEU 44 HD21 LEU 44 0.188 -1.066 1.819 354 2HD2 LEU 44 HD22 LEU 44 0.462 -0.331 0.222 355 3HD2 LEU 44 HD23 LEU 44 0.131 -2.075 0.354 356 H LYS 45 HN LYS 45 4.648 -2.508 3.383 357 HA LYS 45 HA LYS 45 5.040 -1.060 5.787 358 1HB LYS 45 HB2 LYS 45 4.050 -3.143 6.075 359 2HB LYS 45 HB3 LYS 45 5.137 -3.945 4.959 360 1HG LYS 45 HG2 LYS 45 5.640 -4.511 7.345 361 2HG LYS 45 HG3 LYS 45 7.004 -3.761 6.539 362 1HD LYS 45 HD2 LYS 45 6.032 -1.504 7.494 363 2HD LYS 45 HD3 LYS 45 5.113 -2.533 8.574 364 1HE LYS 45 HE2 LYS 45 6.940 -2.978 9.862 365 2HE LYS 45 HE3 LYS 45 7.920 -3.382 8.467 366 1HZ LYS 45 HZ1 LYS 45 7.493 -0.765 9.678 367 2HZ LYS 45 HZ2 LYS 45 8.899 -1.500 9.291 368 3HZ LYS 45 HZ3 LYS 45 7.956 -0.870 8.116 369 H SER 46 HN SER 46 6.937 -1.033 3.158 370 HA SER 46 HA SER 46 9.414 -1.622 4.487 371 1HB SER 46 HB2 SER 46 9.083 -2.244 2.105 372 2HB SER 46 HB3 SER 46 8.831 -0.562 1.686 373 HG SER 46 HG SER 46 11.251 -1.845 2.575 374 H ILE 47 HN ILE 47 8.986 0.105 6.178 375 HA ILE 47 HA ILE 47 8.592 2.725 5.799 376 HB ILE 47 HB ILE 47 9.472 1.091 7.848 377 1HG1 ILE 47 HG12 ILE 47 8.932 2.978 9.282 378 2HG1 ILE 47 HG13 ILE 47 9.081 4.096 7.940 379 1HG2 ILE 47 HG21 ILE 47 11.774 1.441 7.568 380 2HG2 ILE 47 HG22 ILE 47 11.563 3.173 7.220 381 3HG2 ILE 47 HG23 ILE 47 11.300 2.559 8.870 382 1HD1 ILE 47 HD11 ILE 47 6.764 2.633 8.742 383 2HD1 ILE 47 HD12 ILE 47 6.935 3.713 7.338 384 3HD1 ILE 47 HD13 ILE 47 7.269 1.973 7.168 385 H MET 48 HN MET 48 11.892 1.193 5.760 386 HA MET 48 HA MET 48 13.380 3.291 5.148 387 1HB MET 48 HB2 MET 48 14.506 1.440 3.458 388 2HB MET 48 HB3 MET 48 14.668 1.354 5.201 389 1HG MET 48 HG2 MET 48 13.166 -0.410 5.401 390 2HG MET 48 HG3 MET 48 12.182 0.126 4.054 391 1HE MET 48 HE1 MET 48 14.178 0.637 1.767 392 2HE MET 48 HE2 MET 48 14.287 -0.943 0.956 393 3HE MET 48 HE3 MET 48 12.711 -0.342 1.526 394 H GLY 49 HN GLY 49 12.037 1.163 2.511 395 1HA GLY 49 HA1 GLY 49 12.630 2.910 0.416 396 2HA GLY 49 HA2 GLY 49 11.440 1.623 0.395 397 H VAL 50 HN VAL 50 9.491 2.350 2.178 398 HA VAL 50 HA VAL 50 8.034 4.240 0.775 399 HB VAL 50 HB VAL 50 7.799 2.633 3.193 400 1HG1 VAL 50 HG11 VAL 50 6.516 5.378 3.140 401 2HG1 VAL 50 HG12 VAL 50 5.894 4.030 4.122 402 3HG1 VAL 50 HG13 VAL 50 7.533 4.661 4.412 403 1HG2 VAL 50 HG21 VAL 50 5.286 2.915 2.304 404 2HG2 VAL 50 HG22 VAL 50 6.152 3.451 0.844 405 3HG2 VAL 50 HG23 VAL 50 6.465 1.835 1.522 406 H MET 51 HN MET 51 9.858 4.550 3.898 407 HA MET 51 HA MET 51 9.276 7.041 4.587 408 1HB MET 51 HB2 MET 51 11.859 5.445 4.589 409 2HB MET 51 HB3 MET 51 11.923 7.110 5.133 410 1HG MET 51 HG2 MET 51 10.032 4.986 6.259 411 2HG MET 51 HG3 MET 51 11.531 5.489 7.016 412 1HE MET 51 HE1 MET 51 10.473 8.482 5.237 413 2HE MET 51 HE2 MET 51 10.242 9.501 6.678 414 3HE MET 51 HE3 MET 51 11.727 8.535 6.500 415 H SER 52 HN SER 52 11.961 6.205 2.271 416 HA SER 52 HA SER 52 12.584 8.822 1.681 417 1HB SER 52 HB2 SER 52 13.991 7.936 0.026 418 2HB SER 52 HB3 SER 52 13.822 6.585 1.129 419 HG SER 52 HG SER 52 13.194 6.681 -1.501 420 H LEU 53 HN LEU 53 9.969 6.709 0.585 421 HA LEU 53 HA LEU 53 9.323 8.503 -1.611 422 1HB LEU 53 HB2 LEU 53 9.008 5.730 -1.081 423 2HB LEU 53 HB3 LEU 53 7.403 6.422 -1.215 424 HG LEU 53 HG LEU 53 9.603 6.380 -3.280 425 1HD1 LEU 53 HD11 LEU 53 8.470 4.524 -3.811 426 2HD1 LEU 53 HD12 LEU 53 7.046 4.996 -2.852 427 3HD1 LEU 53 HD13 LEU 53 7.265 5.640 -4.497 428 1HD2 LEU 53 HD21 LEU 53 7.247 7.679 -4.279 429 2HD2 LEU 53 HD22 LEU 53 7.843 8.550 -2.847 430 3HD2 LEU 53 HD23 LEU 53 8.927 8.265 -4.230 431 H GLY 54 HN GLY 54 6.964 6.840 0.509 432 1HA GLY 54 HA1 GLY 54 5.242 7.626 1.718 433 2HA GLY 54 HA2 GLY 54 6.266 8.981 2.150 434 H VAL 55 HN VAL 55 3.307 8.811 1.455 435 HA VAL 55 HA VAL 55 3.380 10.850 -0.654 436 HB VAL 55 HB VAL 55 0.902 9.675 -0.878 437 1HG1 VAL 55 HG11 VAL 55 2.923 8.515 -2.674 438 2HG1 VAL 55 HG12 VAL 55 1.513 9.538 -3.038 439 3HG1 VAL 55 HG13 VAL 55 3.039 10.283 -2.504 440 1HG2 VAL 55 HG21 VAL 55 2.754 7.320 -0.950 441 2HG2 VAL 55 HG22 VAL 55 2.066 7.820 0.614 442 3HG2 VAL 55 HG23 VAL 55 0.988 7.381 -0.733 443 H GLY 56 HN GLY 56 0.744 11.675 -0.572 444 1HA GLY 56 HA1 GLY 56 -0.604 11.920 1.764 445 2HA GLY 56 HA2 GLY 56 0.695 13.083 1.944 446 H GLN 57 HN GLN 57 0.723 15.006 0.707 447 HA GLN 57 HA GLN 57 -1.554 16.176 0.067 448 1HB GLN 57 HB2 GLN 57 -0.294 17.817 -1.112 449 2HB GLN 57 HB3 GLN 57 0.830 17.133 0.046 450 1HG GLN 57 HG2 GLN 57 1.316 15.439 -2.010 451 2HG GLN 57 HG3 GLN 57 0.744 16.806 -2.945 452 1HE2 GLN 57 HE21 GLN 57 3.418 15.516 -2.550 453 2HE2 GLN 57 HE22 GLN 57 4.511 16.796 -2.140 454 H GLY 58 HN GLY 58 -3.093 14.746 -0.908 455 1HA GLY 58 HA1 GLY 58 -4.059 13.536 -2.564 456 2HA GLY 58 HA2 GLY 58 -3.628 14.934 -3.528 457 H SER 59 HN SER 59 -0.908 13.237 -2.157 458 HA SER 59 HA SER 59 0.223 12.734 -4.593 459 1HB SER 59 HB2 SER 59 0.772 11.105 -2.081 460 2HB SER 59 HB3 SER 59 1.891 11.463 -3.381 461 HG SER 59 HG SER 59 2.420 13.266 -2.372 462 H ASP 60 HN ASP 60 0.175 11.012 -6.058 463 HA ASP 60 HA ASP 60 -1.848 9.029 -5.493 464 1HB ASP 60 HB2 ASP 60 -1.835 8.590 -7.876 465 2HB ASP 60 HB3 ASP 60 -1.841 10.329 -7.660 466 H VAL 61 HN VAL 61 -1.353 6.714 -5.711 467 HA VAL 61 HA VAL 61 1.422 5.995 -6.145 468 HB VAL 61 HB VAL 61 1.474 4.676 -4.049 469 1HG1 VAL 61 HG11 VAL 61 2.477 6.994 -4.322 470 2HG1 VAL 61 HG12 VAL 61 1.051 7.617 -3.459 471 3HG1 VAL 61 HG13 VAL 61 2.152 6.477 -2.650 472 1HG2 VAL 61 HG21 VAL 61 -0.521 6.223 -2.609 473 2HG2 VAL 61 HG22 VAL 61 -1.259 5.282 -3.928 474 3HG2 VAL 61 HG23 VAL 61 -0.284 4.461 -2.686 475 H THR 62 HN THR 62 1.466 3.376 -5.756 476 HA THR 62 HA THR 62 -1.029 2.278 -6.833 477 HB THR 62 HB THR 62 1.673 2.464 -8.142 478 HG1 THR 62 HG1 THR 62 -0.108 3.521 -9.107 479 1HG2 THR 62 HG21 THR 62 0.491 0.401 -9.538 480 2HG2 THR 62 HG22 THR 62 1.801 0.162 -8.357 481 3HG2 THR 62 HG23 THR 62 0.106 -0.070 -7.865 482 H ILE 63 HN ILE 63 -1.578 0.281 -6.079 483 HA ILE 63 HA ILE 63 0.337 -0.856 -4.166 484 HB ILE 63 HB ILE 63 -2.286 -0.015 -3.809 485 1HG1 ILE 63 HG12 ILE 63 -1.748 -1.710 -1.680 486 2HG1 ILE 63 HG13 ILE 63 -0.149 -1.317 -2.282 487 1HG2 ILE 63 HG21 ILE 63 -2.889 -2.179 -5.037 488 2HG2 ILE 63 HG22 ILE 63 -2.303 -3.023 -3.584 489 3HG2 ILE 63 HG23 ILE 63 -3.661 -1.880 -3.462 490 1HD1 ILE 63 HD11 ILE 63 -0.423 0.998 -1.916 491 2HD1 ILE 63 HD12 ILE 63 -2.199 0.886 -1.927 492 3HD1 ILE 63 HD13 ILE 63 -1.278 0.281 -0.529 493 H THR 64 HN THR 64 0.423 -3.236 -4.028 494 HA THR 64 HA THR 64 -0.518 -4.571 -6.463 495 HB THR 64 HB THR 64 2.267 -5.134 -5.436 496 HG1 THR 64 HG1 THR 64 1.462 -2.984 -7.259 497 1HG2 THR 64 HG21 THR 64 2.069 -4.679 -8.270 498 2HG2 THR 64 HG22 THR 64 2.345 -6.228 -7.438 499 3HG2 THR 64 HG23 THR 64 0.686 -5.696 -7.803 500 H VAL 65 HN VAL 65 -0.998 -6.768 -6.245 501 HA VAL 65 HA VAL 65 -0.580 -7.927 -3.610 502 HB VAL 65 HB VAL 65 -2.842 -6.626 -3.894 503 1HG1 VAL 65 HG11 VAL 65 -3.509 -7.663 -6.004 504 2HG1 VAL 65 HG12 VAL 65 -3.469 -9.273 -5.246 505 3HG1 VAL 65 HG13 VAL 65 -4.668 -8.068 -4.715 506 1HG2 VAL 65 HG21 VAL 65 -2.115 -9.125 -2.510 507 2HG2 VAL 65 HG22 VAL 65 -2.847 -7.630 -1.878 508 3HG2 VAL 65 HG23 VAL 65 -3.868 -8.855 -2.669 509 H ASP 66 HN ASP 66 0.201 -9.952 -3.874 510 HA ASP 66 HA ASP 66 -0.743 -11.420 -6.187 511 1HB ASP 66 HB2 ASP 66 2.118 -11.866 -5.530 512 2HB ASP 66 HB3 ASP 66 1.342 -11.757 -7.097 513 H GLY 67 HN GLY 67 -1.220 -13.565 -5.588 514 1HA GLY 67 HA1 GLY 67 -0.261 -15.498 -4.323 515 2HA GLY 67 HA2 GLY 67 -0.262 -14.436 -2.928 516 H ALA 68 HN ALA 68 -1.721 -15.856 -1.779 517 HA ALA 68 HA ALA 68 -4.259 -16.496 -2.907 518 1HB ALA 68 HB1 ALA 68 -4.496 -16.939 -0.216 519 2HB ALA 68 HB2 ALA 68 -3.763 -18.088 -1.360 520 3HB ALA 68 HB3 ALA 68 -2.728 -16.991 -0.415 521 H ASP 69 HN ASP 69 -3.249 -14.417 -0.093 522 HA ASP 69 HA ASP 69 -5.666 -13.316 0.384 523 1HB ASP 69 HB2 ASP 69 -2.820 -12.468 0.757 524 2HB ASP 69 HB3 ASP 69 -4.005 -11.183 0.882 525 H GLU 70 HN GLU 70 -3.293 -12.642 -2.192 526 HA GLU 70 HA GLU 70 -3.378 -10.425 -3.228 527 1HB GLU 70 HB2 GLU 70 -3.998 -11.246 -5.488 528 2HB GLU 70 HB3 GLU 70 -2.994 -12.401 -4.634 529 1HG GLU 70 HG2 GLU 70 -4.640 -13.865 -5.331 530 2HG GLU 70 HG3 GLU 70 -5.395 -13.345 -3.837 531 H ALA 71 HN ALA 71 -6.541 -12.224 -3.408 532 HA ALA 71 HA ALA 71 -8.004 -9.968 -4.211 533 1HB ALA 71 HB1 ALA 71 -9.863 -11.598 -3.078 534 2HB ALA 71 HB2 ALA 71 -9.168 -11.872 -4.694 535 3HB ALA 71 HB3 ALA 71 -8.523 -12.751 -3.287 536 H GLU 72 HN GLU 72 -8.147 -11.714 -1.021 537 HA GLU 72 HA GLU 72 -9.485 -9.715 0.273 538 1HB GLU 72 HB2 GLU 72 -9.495 -11.456 1.718 539 2HB GLU 72 HB3 GLU 72 -8.081 -12.172 0.971 540 1HG GLU 72 HG2 GLU 72 -7.510 -11.668 3.275 541 2HG GLU 72 HG3 GLU 72 -6.628 -10.547 2.257 542 H GLY 73 HN GLY 73 -5.923 -10.292 -0.009 543 1HA GLY 73 HA1 GLY 73 -4.923 -8.401 1.677 544 2HA GLY 73 HA2 GLY 73 -4.197 -8.851 0.147 545 H MET 74 HN MET 74 -5.162 -7.758 -1.884 546 HA MET 74 HA MET 74 -4.915 -5.044 -1.609 547 1HB MET 74 HB2 MET 74 -5.841 -5.009 -3.973 548 2HB MET 74 HB3 MET 74 -4.598 -6.225 -3.753 549 1HG MET 74 HG2 MET 74 -6.211 -7.530 -4.807 550 2HG MET 74 HG3 MET 74 -6.688 -7.791 -3.141 551 1HE MET 74 HE1 MET 74 -8.438 -8.411 -5.346 552 2HE MET 74 HE2 MET 74 -9.430 -8.301 -3.873 553 3HE MET 74 HE3 MET 74 -9.949 -7.471 -5.360 554 H ALA 75 HN ALA 75 -7.831 -7.131 -1.553 555 HA ALA 75 HA ALA 75 -9.829 -5.353 -1.937 556 1HB ALA 75 HB1 ALA 75 -10.641 -7.459 -1.567 557 2HB ALA 75 HB2 ALA 75 -9.433 -7.820 -0.310 558 3HB ALA 75 HB3 ALA 75 -10.861 -6.834 0.086 559 H ALA 76 HN ALA 76 -8.187 -6.030 1.237 560 HA ALA 76 HA ALA 76 -9.555 -4.061 2.654 561 1HB ALA 76 HB1 ALA 76 -8.393 -5.022 4.320 562 2HB ALA 76 HB2 ALA 76 -7.556 -6.016 3.104 563 3HB ALA 76 HB3 ALA 76 -6.853 -4.466 3.623 564 H ILE 77 HN ILE 77 -6.191 -3.980 1.263 565 HA ILE 77 HA ILE 77 -5.576 -1.406 1.831 566 HB ILE 77 HB ILE 77 -4.763 -3.417 -0.119 567 1HG1 ILE 77 HG12 ILE 77 -3.471 -3.145 1.842 568 2HG1 ILE 77 HG13 ILE 77 -2.507 -2.498 0.531 569 1HG2 ILE 77 HG21 ILE 77 -4.346 -0.495 -0.806 570 2HG2 ILE 77 HG22 ILE 77 -3.514 -1.869 -1.573 571 3HG2 ILE 77 HG23 ILE 77 -5.277 -1.689 -1.742 572 1HD1 ILE 77 HD11 ILE 77 -3.556 -1.137 2.899 573 2HD1 ILE 77 HD12 ILE 77 -2.315 -0.592 1.744 574 3HD1 ILE 77 HD13 ILE 77 -4.037 -0.295 1.406 575 H VAL 78 HN VAL 78 -7.191 -2.532 -1.229 576 HA VAL 78 HA VAL 78 -7.633 -0.067 -2.322 577 HB VAL 78 HB VAL 78 -9.588 -2.361 -2.431 578 1HG1 VAL 78 HG11 VAL 78 -9.363 0.129 -3.806 579 2HG1 VAL 78 HG12 VAL 78 -9.001 -1.171 -4.966 580 3HG1 VAL 78 HG13 VAL 78 -10.537 -1.183 -4.067 581 1HG2 VAL 78 HG21 VAL 78 -7.973 -3.710 -3.169 582 2HG2 VAL 78 HG22 VAL 78 -7.735 -2.611 -4.548 583 3HG2 VAL 78 HG23 VAL 78 -6.772 -2.401 -3.066 584 H GLU 79 HN GLU 79 -9.996 -1.950 -0.292 585 HA GLU 79 HA GLU 79 -11.845 0.048 -0.116 586 1HB GLU 79 HB2 GLU 79 -11.247 -2.471 1.272 587 2HB GLU 79 HB3 GLU 79 -11.988 -1.303 2.348 588 1HG GLU 79 HG2 GLU 79 -13.356 -1.239 -0.219 589 2HG GLU 79 HG3 GLU 79 -13.269 -2.896 0.346 590 H THR 80 HN THR 80 -9.062 -0.689 2.085 591 HA THR 80 HA THR 80 -9.594 1.343 3.935 592 HB THR 80 HB THR 80 -7.628 -0.701 3.398 593 HG1 THR 80 HG1 THR 80 -7.834 1.209 5.603 594 1HG2 THR 80 HG21 THR 80 -5.737 0.733 4.566 595 2HG2 THR 80 HG22 THR 80 -5.892 0.812 2.795 596 3HG2 THR 80 HG23 THR 80 -6.558 2.117 3.805 597 H LEU 81 HN LEU 81 -7.584 1.335 0.935 598 HA LEU 81 HA LEU 81 -6.432 3.775 1.152 599 1HB LEU 81 HB2 LEU 81 -7.500 2.232 -1.189 600 2HB LEU 81 HB3 LEU 81 -6.784 3.814 -1.422 601 HG LEU 81 HG LEU 81 -5.482 1.321 -1.270 602 1HD1 LEU 81 HD11 LEU 81 -3.993 3.918 -1.082 603 2HD1 LEU 81 HD12 LEU 81 -3.659 2.479 -2.074 604 3HD1 LEU 81 HD13 LEU 81 -4.997 3.569 -2.510 605 1HD2 LEU 81 HD21 LEU 81 -4.577 3.063 1.033 606 2HD2 LEU 81 HD22 LEU 81 -5.605 1.622 1.221 607 3HD2 LEU 81 HD23 LEU 81 -3.961 1.462 0.558 608 H GLN 82 HN GLN 82 -9.782 3.045 -0.009 609 HA GLN 82 HA GLN 82 -10.284 5.890 -0.050 610 1HB GLN 82 HB2 GLN 82 -12.483 3.977 -0.691 611 2HB GLN 82 HB3 GLN 82 -12.000 5.443 -1.521 612 1HG GLN 82 HG2 GLN 82 -10.942 4.169 -3.067 613 2HG GLN 82 HG3 GLN 82 -9.802 3.673 -1.832 614 1HE2 GLN 82 HE21 GLN 82 -10.349 1.988 -3.849 615 2HE2 GLN 82 HE22 GLN 82 -11.284 0.628 -3.322 616 H LYS 83 HN LYS 83 -10.497 3.223 2.085 617 HA LYS 83 HA LYS 83 -12.886 4.105 3.426 618 1HB LYS 83 HB2 LYS 83 -12.889 1.960 4.003 619 2HB LYS 83 HB3 LYS 83 -11.293 1.728 3.318 620 1HG LYS 83 HG2 LYS 83 -10.231 2.482 5.416 621 2HG LYS 83 HG3 LYS 83 -11.794 2.875 6.104 622 1HD LYS 83 HD2 LYS 83 -10.574 0.512 6.572 623 2HD LYS 83 HD3 LYS 83 -12.319 0.668 6.541 624 1HE LYS 83 HE2 LYS 83 -12.237 0.097 4.045 625 2HE LYS 83 HE3 LYS 83 -10.532 -0.253 4.243 626 1HZ LYS 83 HZ1 LYS 83 -11.656 -1.637 6.240 627 2HZ LYS 83 HZ2 LYS 83 -12.787 -1.780 5.070 628 3HZ LYS 83 HZ3 LYS 83 -11.253 -2.262 4.786 629 H GLU 84 HN GLU 84 -9.327 4.350 3.783 630 HA GLU 84 HA GLU 84 -9.745 5.851 6.223 631 1HB GLU 84 HB2 GLU 84 -7.034 5.238 5.024 632 2HB GLU 84 HB3 GLU 84 -7.456 5.484 6.707 633 1HG GLU 84 HG2 GLU 84 -8.472 3.121 5.063 634 2HG GLU 84 HG3 GLU 84 -7.012 3.055 6.030 635 H GLY 85 HN GLY 85 -10.242 6.656 3.213 636 1HA GLY 85 HA1 GLY 85 -10.043 8.505 1.951 637 2HA GLY 85 HA2 GLY 85 -9.784 9.370 3.453 638 H LEU 86 HN LEU 86 -7.513 6.790 2.763 639 HA LEU 86 HA LEU 86 -5.401 8.720 2.550 640 1HB LEU 86 HB2 LEU 86 -5.710 5.894 3.169 641 2HB LEU 86 HB3 LEU 86 -4.356 6.183 2.095 642 HG LEU 86 HG LEU 86 -4.789 7.509 4.786 643 1HD1 LEU 86 HD11 LEU 86 -3.935 4.934 4.288 644 2HD1 LEU 86 HD12 LEU 86 -2.411 5.842 4.438 645 3HD1 LEU 86 HD13 LEU 86 -3.606 5.886 5.756 646 1HD2 LEU 86 HD21 LEU 86 -3.454 8.634 2.727 647 2HD2 LEU 86 HD22 LEU 86 -3.013 8.855 4.438 648 3HD2 LEU 86 HD23 LEU 86 -2.153 7.654 3.444 649 H ALA 87 HN ALA 87 -7.143 6.410 0.426 650 HA ALA 87 HA ALA 87 -6.011 7.835 -1.849 651 1HB ALA 87 HB1 ALA 87 -6.020 5.180 -2.690 652 2HB ALA 87 HB2 ALA 87 -4.582 6.135 -2.255 653 3HB ALA 87 HB3 ALA 87 -5.357 5.090 -1.040 654 H GLU 88 HN GLU 88 -7.280 7.348 -3.879 655 HA GLU 88 HA GLU 88 -10.049 7.084 -3.107 656 1HB GLU 88 HB2 GLU 88 -10.368 7.835 -5.583 657 2HB GLU 88 HB3 GLU 88 -9.749 9.004 -4.433 658 1HG GLU 88 HG2 GLU 88 -7.604 8.983 -5.338 659 2HG GLU 88 HG3 GLU 88 -7.709 7.307 -5.839 660 H GLN 89 HN GLN 89 -11.418 6.050 -5.145 661 HA GLN 89 HA GLN 89 -10.355 3.370 -5.284 662 1HB GLN 89 HB2 GLN 89 -12.643 2.737 -5.974 663 2HB GLN 89 HB3 GLN 89 -12.671 3.671 -4.492 664 1HG GLN 89 HG2 GLN 89 -13.943 5.288 -5.451 665 2HG GLN 89 HG3 GLN 89 -12.801 5.482 -6.767 666 1HE2 GLN 89 HE21 GLN 89 -12.857 3.843 -8.498 667 2HE2 GLN 89 HE22 GLN 89 -14.386 3.211 -9.009 Start of MODEL 2 1 H MET 1 HN MET 1 -1.631 -12.521 -8.193 2 HA MET 1 HA MET 1 0.512 -10.905 -8.529 3 1HB MET 1 HB2 MET 1 -0.206 -12.186 -11.214 4 2HB MET 1 HB3 MET 1 1.119 -11.086 -10.891 5 1HG MET 1 HG2 MET 1 2.490 -12.789 -10.251 6 2HG MET 1 HG3 MET 1 1.296 -13.424 -9.136 7 1HE MET 1 HE1 MET 1 -0.399 -14.788 -9.480 8 2HE MET 1 HE2 MET 1 -1.237 -14.810 -11.050 9 3HE MET 1 HE3 MET 1 -0.275 -16.216 -10.534 10 H GLU 2 HN GLU 2 -1.165 -9.481 -7.790 11 HA GLU 2 HA GLU 2 -2.787 -8.529 -9.981 12 1HB GLU 2 HB2 GLU 2 -3.908 -9.370 -7.275 13 2HB GLU 2 HB3 GLU 2 -4.784 -8.350 -8.398 14 1HG GLU 2 HG2 GLU 2 -4.001 -10.427 -10.057 15 2HG GLU 2 HG3 GLU 2 -4.223 -11.270 -8.536 16 H LYS 3 HN LYS 3 -1.822 -6.523 -10.145 17 HA LYS 3 HA LYS 3 -1.223 -5.092 -7.687 18 1HB LYS 3 HB2 LYS 3 0.498 -4.297 -8.846 19 2HB LYS 3 HB3 LYS 3 0.027 -5.312 -10.194 20 1HG LYS 3 HG2 LYS 3 -1.638 -3.422 -10.832 21 2HG LYS 3 HG3 LYS 3 -0.785 -2.423 -9.673 22 1HD LYS 3 HD2 LYS 3 0.245 -1.985 -11.800 23 2HD LYS 3 HD3 LYS 3 1.381 -2.983 -10.914 24 1HE LYS 3 HE2 LYS 3 1.201 -4.711 -12.400 25 2HE LYS 3 HE3 LYS 3 -0.547 -4.606 -12.448 26 1HZ LYS 3 HZ1 LYS 3 -0.479 -3.132 -14.148 27 2HZ LYS 3 HZ2 LYS 3 0.978 -2.510 -13.750 28 3HZ LYS 3 HZ3 LYS 3 0.885 -3.963 -14.489 29 H LYS 4 HN LYS 4 -2.037 -2.947 -7.263 30 HA LYS 4 HA LYS 4 -4.306 -2.136 -8.895 31 1HB LYS 4 HB2 LYS 4 -5.151 -3.652 -7.073 32 2HB LYS 4 HB3 LYS 4 -4.551 -2.501 -5.897 33 1HG LYS 4 HG2 LYS 4 -6.846 -1.914 -6.210 34 2HG LYS 4 HG3 LYS 4 -5.948 -0.708 -7.109 35 1HD LYS 4 HD2 LYS 4 -6.280 -2.098 -9.206 36 2HD LYS 4 HD3 LYS 4 -7.285 -3.194 -8.278 37 1HE LYS 4 HE2 LYS 4 -8.858 -1.342 -7.748 38 2HE LYS 4 HE3 LYS 4 -7.834 -0.204 -8.601 39 1HZ LYS 4 HZ1 LYS 4 -8.720 -2.563 -10.035 40 2HZ LYS 4 HZ2 LYS 4 -9.811 -1.376 -9.774 41 3HZ LYS 4 HZ3 LYS 4 -8.436 -1.055 -10.594 42 H GLU 5 HN GLU 5 -3.764 -0.117 -9.515 43 HA GLU 5 HA GLU 5 -1.983 1.391 -7.878 44 1HB GLU 5 HB2 GLU 5 -3.423 2.259 -10.420 45 2HB GLU 5 HB3 GLU 5 -2.002 3.006 -9.717 46 1HG GLU 5 HG2 GLU 5 -0.788 1.644 -11.077 47 2HG GLU 5 HG3 GLU 5 -1.195 0.352 -9.965 48 H PHE 6 HN PHE 6 -2.443 3.535 -6.990 49 HA PHE 6 HA PHE 6 -5.223 4.322 -6.902 50 1HB PHE 6 HB2 PHE 6 -3.509 3.661 -4.431 51 2HB PHE 6 HB3 PHE 6 -5.132 4.320 -4.369 52 HD1 PHE 6 HD1 PHE 6 -6.680 2.752 -6.193 53 HD2 PHE 6 HD2 PHE 6 -3.520 1.495 -3.655 54 HE1 PHE 6 HE1 PHE 6 -7.624 0.427 -6.169 55 HE2 PHE 6 HE2 PHE 6 -4.465 -0.831 -3.631 56 HZ PHE 6 HZ PHE 6 -6.506 -1.337 -4.888 57 H HIS 7 HN HIS 7 -5.177 6.276 -4.994 58 HA HIS 7 HA HIS 7 -2.752 7.801 -5.299 59 1HB HIS 7 HB2 HIS 7 -3.531 8.785 -7.174 60 2HB HIS 7 HB3 HIS 7 -5.196 8.340 -6.857 61 HD1 HIS 7 HD1 HIS 7 -3.359 11.264 -7.321 62 HD2 HIS 7 HD2 HIS 7 -6.037 10.057 -4.327 63 HE1 HIS 7 HE1 HIS 7 -4.202 13.401 -6.212 64 H ILE 8 HN ILE 8 -2.416 9.169 -3.549 65 HA ILE 8 HA ILE 8 -4.043 8.730 -1.290 66 HB ILE 8 HB ILE 8 -1.842 10.730 -1.813 67 1HG1 ILE 8 HG12 ILE 8 -0.692 8.780 -1.990 68 2HG1 ILE 8 HG13 ILE 8 -0.685 8.921 -0.243 69 1HG2 ILE 8 HG21 ILE 8 -1.658 10.682 0.720 70 2HG2 ILE 8 HG22 ILE 8 -3.042 11.568 0.036 71 3HG2 ILE 8 HG23 ILE 8 -3.279 9.944 0.725 72 1HD1 ILE 8 HD11 ILE 8 -1.359 6.642 -0.953 73 2HD1 ILE 8 HD12 ILE 8 -2.689 7.458 -0.095 74 3HD1 ILE 8 HD13 ILE 8 -2.721 7.329 -1.870 75 H VAL 9 HN VAL 9 -5.855 9.747 -0.600 76 HA VAL 9 HA VAL 9 -6.465 12.324 -1.875 77 HB VAL 9 HB VAL 9 -8.861 11.625 -1.657 78 1HG1 VAL 9 HG11 VAL 9 -7.516 9.635 -3.451 79 2HG1 VAL 9 HG12 VAL 9 -8.890 10.720 -3.773 80 3HG1 VAL 9 HG13 VAL 9 -7.234 11.370 -3.730 81 1HG2 VAL 9 HG21 VAL 9 -7.585 8.950 -1.017 82 2HG2 VAL 9 HG22 VAL 9 -8.741 9.875 -0.029 83 3HG2 VAL 9 HG23 VAL 9 -9.270 9.137 -1.560 84 H ALA 10 HN ALA 10 -5.332 10.986 0.867 85 HA ALA 10 HA ALA 10 -7.170 12.192 2.735 86 1HB ALA 10 HB1 ALA 10 -6.262 10.217 3.571 87 2HB ALA 10 HB2 ALA 10 -4.660 10.530 2.863 88 3HB ALA 10 HB3 ALA 10 -5.188 11.433 4.303 89 H GLU 11 HN GLU 11 -4.399 13.092 0.829 90 HA GLU 11 HA GLU 11 -3.033 14.797 0.857 91 1HB GLU 11 HB2 GLU 11 -4.096 17.013 1.108 92 2HB GLU 11 HB3 GLU 11 -5.134 15.920 0.215 93 1HG GLU 11 HG2 GLU 11 -6.524 15.508 2.179 94 2HG GLU 11 HG3 GLU 11 -5.397 16.350 3.224 95 H THR 12 HN THR 12 -3.475 13.211 3.513 96 HA THR 12 HA THR 12 -2.854 15.147 5.544 97 HB THR 12 HB THR 12 -4.044 12.669 5.500 98 HG1 THR 12 HG1 THR 12 -4.228 13.593 7.501 99 1HG2 THR 12 HG21 THR 12 -1.127 12.331 6.353 100 2HG2 THR 12 HG22 THR 12 -2.428 11.265 6.934 101 3HG2 THR 12 HG23 THR 12 -2.037 11.328 5.199 102 H GLY 13 HN GLY 13 -1.022 12.352 4.120 103 1HA GLY 13 HA1 GLY 13 1.244 13.255 3.309 104 2HA GLY 13 HA2 GLY 13 1.450 13.694 4.994 105 H ILE 14 HN ILE 14 -0.461 10.824 4.185 106 HA ILE 14 HA ILE 14 -0.167 8.764 5.065 107 HB ILE 14 HB ILE 14 1.903 9.195 2.942 108 1HG1 ILE 14 HG12 ILE 14 0.388 8.177 1.513 109 2HG1 ILE 14 HG13 ILE 14 -0.435 7.320 2.801 110 1HG2 ILE 14 HG21 ILE 14 1.472 6.396 3.358 111 2HG2 ILE 14 HG22 ILE 14 2.995 7.318 3.381 112 3HG2 ILE 14 HG23 ILE 14 2.048 7.126 4.876 113 1HD1 ILE 14 HD11 ILE 14 -1.386 9.451 3.648 114 2HD1 ILE 14 HD12 ILE 14 -0.524 10.343 2.371 115 3HD1 ILE 14 HD13 ILE 14 -1.816 9.196 1.939 116 H HIS 15 HN HIS 15 0.308 9.581 7.279 117 HA HIS 15 HA HIS 15 3.139 9.392 7.945 118 1HB HIS 15 HB2 HIS 15 2.103 10.203 10.236 119 2HB HIS 15 HB3 HIS 15 2.453 11.320 8.932 120 HD2 HIS 15 HD2 HIS 15 0.193 12.466 7.672 121 HE1 HIS 15 HE1 HIS 15 -2.673 10.796 10.338 122 HE2 HIS 15 HE2 HIS 15 -2.227 12.528 8.468 123 H ALA 16 HN ALA 16 3.353 8.422 10.384 124 HA ALA 16 HA ALA 16 3.198 5.756 10.234 125 1HB ALA 16 HB1 ALA 16 3.986 5.886 12.348 126 2HB ALA 16 HB2 ALA 16 3.833 7.651 12.167 127 3HB ALA 16 HB3 ALA 16 2.523 6.718 12.929 128 H ARG 17 HN ARG 17 0.540 8.009 11.052 129 HA ARG 17 HA ARG 17 -1.203 6.064 11.981 130 1HB ARG 17 HB2 ARG 17 -1.357 8.902 11.084 131 2HB ARG 17 HB3 ARG 17 -2.857 8.017 10.889 132 1HG ARG 17 HG2 ARG 17 -2.815 9.054 13.112 133 2HG ARG 17 HG3 ARG 17 -2.755 7.311 13.287 134 1HD ARG 17 HD2 ARG 17 -0.956 7.721 14.646 135 2HD ARG 17 HD3 ARG 17 -0.063 7.886 13.147 136 HE ARG 17 HE ARG 17 -1.045 10.418 13.461 137 1HH1 ARG 17 HH22 ARG 17 0.599 8.257 15.700 138 2HH1 ARG 17 HH21 ARG 17 1.315 9.542 16.614 139 1HH2 ARG 17 HH12 ARG 17 -0.101 12.114 14.667 140 2HH2 ARG 17 HH11 ARG 17 0.914 11.751 16.023 141 HA PRO 18 HA PRO 18 -3.028 5.896 7.637 142 1HB PRO 18 HB2 PRO 18 -2.371 7.735 5.726 143 2HB PRO 18 HB3 PRO 18 -3.750 7.913 6.792 144 1HG PRO 18 HG2 PRO 18 -1.148 9.311 6.879 145 2HG PRO 18 HG3 PRO 18 -2.660 9.759 7.643 146 1HD PRO 18 HD2 PRO 18 -0.380 8.573 8.916 147 2HD PRO 18 HD3 PRO 18 -1.933 8.913 9.653 148 H ALA 19 HN ALA 19 0.312 6.824 7.663 149 HA ALA 19 HA ALA 19 1.106 5.560 5.333 150 1HB ALA 19 HB1 ALA 19 2.426 7.122 6.830 151 2HB ALA 19 HB2 ALA 19 2.675 5.746 7.932 152 3HB ALA 19 HB3 ALA 19 3.320 5.686 6.274 153 H THR 20 HN THR 20 1.003 4.278 8.733 154 HA THR 20 HA THR 20 1.674 1.639 7.867 155 HB THR 20 HB THR 20 0.379 2.128 10.526 156 HG1 THR 20 HG1 THR 20 2.941 3.255 9.641 157 1HG2 THR 20 HG21 THR 20 1.803 0.077 9.894 158 2HG2 THR 20 HG22 THR 20 3.196 1.182 9.800 159 3HG2 THR 20 HG23 THR 20 2.345 0.952 11.346 160 H LEU 21 HN LEU 21 -1.340 3.446 8.481 161 HA LEU 21 HA LEU 21 -3.163 1.514 8.795 162 1HB LEU 21 HB2 LEU 21 -3.378 4.066 8.469 163 2HB LEU 21 HB3 LEU 21 -3.595 3.693 6.771 164 HG LEU 21 HG LEU 21 -5.346 2.792 9.071 165 1HD1 LEU 21 HD11 LEU 21 -5.684 5.113 8.441 166 2HD1 LEU 21 HD12 LEU 21 -5.876 4.647 6.734 167 3HD1 LEU 21 HD13 LEU 21 -7.077 4.125 7.940 168 1HD2 LEU 21 HD21 LEU 21 -5.427 2.011 6.150 169 2HD2 LEU 21 HD22 LEU 21 -5.284 0.949 7.572 170 3HD2 LEU 21 HD23 LEU 21 -6.804 1.821 7.261 171 H LEU 22 HN LEU 22 -1.746 2.515 5.608 172 HA LEU 22 HA LEU 22 -3.108 0.416 4.243 173 1HB LEU 22 HB2 LEU 22 -1.531 1.134 2.379 174 2HB LEU 22 HB3 LEU 22 -2.728 2.281 2.947 175 HG LEU 22 HG LEU 22 -0.285 2.640 4.435 176 1HD1 LEU 22 HD11 LEU 22 1.151 3.419 2.561 177 2HD1 LEU 22 HD12 LEU 22 0.900 1.657 2.588 178 3HD1 LEU 22 HD13 LEU 22 0.011 2.665 1.421 179 1HD2 LEU 22 HD21 LEU 22 -1.437 4.532 2.391 180 2HD2 LEU 22 HD22 LEU 22 -2.240 4.232 3.951 181 3HD2 LEU 22 HD23 LEU 22 -0.590 4.898 3.913 182 H VAL 23 HN VAL 23 0.338 1.027 5.212 183 HA VAL 23 HA VAL 23 1.340 -1.376 4.273 184 HB VAL 23 HB VAL 23 3.262 -0.713 5.241 185 1HG1 VAL 23 HG11 VAL 23 2.148 1.916 6.030 186 2HG1 VAL 23 HG12 VAL 23 3.454 1.514 4.890 187 3HG1 VAL 23 HG13 VAL 23 1.754 1.381 4.378 188 1HG2 VAL 23 HG21 VAL 23 1.590 -0.172 7.681 189 2HG2 VAL 23 HG22 VAL 23 3.001 -1.238 7.482 190 3HG2 VAL 23 HG23 VAL 23 3.222 0.527 7.553 191 H GLN 24 HN GLN 24 -0.173 -0.516 7.435 192 HA GLN 24 HA GLN 24 0.345 -2.927 8.669 193 1HB GLN 24 HB2 GLN 24 -1.320 -2.254 10.293 194 2HB GLN 24 HB3 GLN 24 -0.468 -0.813 9.773 195 1HG GLN 24 HG2 GLN 24 -2.297 0.021 8.584 196 2HG GLN 24 HG3 GLN 24 -2.936 -1.571 8.228 197 1HE2 GLN 24 HE21 GLN 24 -2.235 0.586 10.967 198 2HE2 GLN 24 HE22 GLN 24 -3.638 0.211 11.911 199 H THR 25 HN THR 25 -2.298 -1.880 6.475 200 HA THR 25 HA THR 25 -3.689 -4.400 6.802 201 HB THR 25 HB THR 25 -4.190 -1.687 5.740 202 HG1 THR 25 HG1 THR 25 -5.828 -2.272 7.105 203 1HG2 THR 25 HG21 THR 25 -5.089 -4.163 4.196 204 2HG2 THR 25 HG22 THR 25 -6.059 -2.671 4.220 205 3HG2 THR 25 HG23 THR 25 -4.414 -2.652 3.541 206 H ALA 26 HN ALA 26 -1.330 -2.903 4.628 207 HA ALA 26 HA ALA 26 -1.745 -4.924 2.613 208 1HB ALA 26 HB1 ALA 26 0.354 -3.723 1.670 209 2HB ALA 26 HB2 ALA 26 -1.167 -2.803 1.757 210 3HB ALA 26 HB3 ALA 26 0.097 -2.550 2.984 211 H SER 27 HN SER 27 0.480 -4.172 5.320 212 HA SER 27 HA SER 27 2.119 -6.424 4.598 213 1HB SER 27 HB2 SER 27 3.640 -5.654 6.288 214 2HB SER 27 HB3 SER 27 3.063 -4.224 5.455 215 HG SER 27 HG SER 27 1.373 -4.154 7.260 216 H LYS 28 HN LYS 28 -0.483 -7.267 5.107 217 HA LYS 28 HA LYS 28 -0.060 -8.864 7.479 218 1HB LYS 28 HB2 LYS 28 -2.364 -8.330 8.334 219 2HB LYS 28 HB3 LYS 28 -1.177 -7.056 8.529 220 1HG LYS 28 HG2 LYS 28 -3.065 -5.907 7.679 221 2HG LYS 28 HG3 LYS 28 -2.057 -6.121 6.261 222 1HD LYS 28 HD2 LYS 28 -4.305 -6.745 5.625 223 2HD LYS 28 HD3 LYS 28 -3.372 -8.226 5.714 224 1HE LYS 28 HE2 LYS 28 -4.586 -7.529 8.312 225 2HE LYS 28 HE3 LYS 28 -5.791 -7.706 7.052 226 1HZ LYS 28 HZ1 LYS 28 -3.832 -9.742 6.925 227 2HZ LYS 28 HZ2 LYS 28 -4.570 -9.718 8.382 228 3HZ LYS 28 HZ3 LYS 28 -5.457 -9.874 7.019 229 H PHE 29 HN PHE 29 -0.168 -9.048 4.435 230 HA PHE 29 HA PHE 29 -2.360 -11.000 4.319 231 1HB PHE 29 HB2 PHE 29 -1.007 -9.297 2.139 232 2HB PHE 29 HB3 PHE 29 -2.304 -10.436 1.836 233 HD1 PHE 29 HD1 PHE 29 -1.977 -7.264 1.508 234 HD2 PHE 29 HD2 PHE 29 -4.068 -9.812 4.180 235 HE1 PHE 29 HE1 PHE 29 -3.665 -5.451 1.916 236 HE2 PHE 29 HE2 PHE 29 -5.756 -8.000 4.589 237 HZ PHE 29 HZ PHE 29 -5.534 -5.841 3.452 238 H ASN 30 HN ASN 30 -1.914 -13.054 3.459 239 HA ASN 30 HA ASN 30 0.746 -13.869 3.679 240 1HB ASN 30 HB2 ASN 30 -1.873 -15.117 2.866 241 2HB ASN 30 HB3 ASN 30 -0.422 -15.960 2.362 242 1HD2 ASN 30 HD21 ASN 30 -2.651 -16.238 4.498 243 2HD2 ASN 30 HD22 ASN 30 -1.806 -16.694 5.940 244 H SER 31 HN SER 31 -0.701 -12.016 1.326 245 HA SER 31 HA SER 31 0.683 -13.338 -0.863 246 1HB SER 31 HB2 SER 31 -1.662 -11.453 -0.687 247 2HB SER 31 HB3 SER 31 -0.688 -11.417 -2.143 248 HG SER 31 HG SER 31 -1.389 -14.003 -1.257 249 H ASP 32 HN ASP 32 1.478 -11.505 -2.580 250 HA ASP 32 HA ASP 32 3.296 -9.906 -1.024 251 1HB ASP 32 HB2 ASP 32 3.273 -11.177 -3.650 252 2HB ASP 32 HB3 ASP 32 3.685 -9.483 -3.824 253 H ILE 33 HN ILE 33 2.102 -8.048 -0.344 254 HA ILE 33 HA ILE 33 0.920 -6.471 -2.524 255 HB ILE 33 HB ILE 33 -0.717 -7.476 -0.938 256 1HG1 ILE 33 HG12 ILE 33 -0.824 -5.146 -2.212 257 2HG1 ILE 33 HG13 ILE 33 -2.109 -5.693 -1.154 258 1HG2 ILE 33 HG21 ILE 33 -0.049 -7.537 1.203 259 2HG2 ILE 33 HG22 ILE 33 1.044 -6.146 1.014 260 3HG2 ILE 33 HG23 ILE 33 -0.697 -5.881 1.271 261 1HD1 ILE 33 HD11 ILE 33 -1.209 -3.273 -0.821 262 2HD1 ILE 33 HD12 ILE 33 -1.422 -4.280 0.632 263 3HD1 ILE 33 HD13 ILE 33 0.201 -4.050 -0.062 264 H ASN 34 HN ASN 34 1.901 -4.560 -2.913 265 HA ASN 34 HA ASN 34 3.316 -3.359 -0.679 266 1HB ASN 34 HB2 ASN 34 4.448 -3.397 -3.517 267 2HB ASN 34 HB3 ASN 34 5.268 -2.883 -2.056 268 1HD2 ASN 34 HD21 ASN 34 4.248 -4.998 -0.389 269 2HD2 ASN 34 HD22 ASN 34 5.064 -6.464 -0.820 270 H LEU 35 HN LEU 35 4.138 -0.989 -1.678 271 HA LEU 35 HA LEU 35 1.848 0.068 -3.186 272 1HB LEU 35 HB2 LEU 35 1.418 1.581 -1.634 273 2HB LEU 35 HB3 LEU 35 2.366 0.575 -0.557 274 HG LEU 35 HG LEU 35 4.381 1.941 -1.103 275 1HD1 LEU 35 HD11 LEU 35 2.572 3.061 -3.082 276 2HD1 LEU 35 HD12 LEU 35 3.300 4.324 -2.061 277 3HD1 LEU 35 HD13 LEU 35 4.343 3.185 -2.946 278 1HD2 LEU 35 HD21 LEU 35 3.467 2.531 0.928 279 2HD2 LEU 35 HD22 LEU 35 3.427 4.082 0.055 280 3HD2 LEU 35 HD23 LEU 35 1.946 3.107 0.205 281 H GLU 36 HN GLU 36 2.303 1.565 -4.823 282 HA GLU 36 HA GLU 36 5.156 1.989 -5.261 283 1HB GLU 36 HB2 GLU 36 4.369 0.329 -6.867 284 2HB GLU 36 HB3 GLU 36 2.996 1.326 -7.306 285 1HG GLU 36 HG2 GLU 36 5.754 2.517 -7.595 286 2HG GLU 36 HG3 GLU 36 5.254 1.315 -8.767 287 H TYR 37 HN TYR 37 5.575 4.130 -4.931 288 HA TYR 37 HA TYR 37 3.502 6.035 -5.785 289 1HB TYR 37 HB2 TYR 37 3.991 6.076 -3.363 290 2HB TYR 37 HB3 TYR 37 5.715 5.958 -3.654 291 HD1 TYR 37 HD1 TYR 37 6.449 7.889 -2.477 292 HD2 TYR 37 HD2 TYR 37 3.385 8.244 -5.442 293 HE1 TYR 37 HE1 TYR 37 6.634 10.423 -2.376 294 HE2 TYR 37 HE2 TYR 37 3.581 10.777 -5.330 295 HH TYR 37 HH TYR 37 6.148 12.329 -4.018 296 H LYS 38 HN LYS 38 3.978 6.999 -7.694 297 HA LYS 38 HA LYS 38 5.105 8.051 -9.274 298 1HB LYS 38 HB2 LYS 38 7.497 8.445 -7.497 299 2HB LYS 38 HB3 LYS 38 6.832 9.511 -8.718 300 1HG LYS 38 HG2 LYS 38 4.700 9.231 -6.928 301 2HG LYS 38 HG3 LYS 38 6.094 9.230 -5.865 302 1HD LYS 38 HD2 LYS 38 5.702 11.327 -8.045 303 2HD LYS 38 HD3 LYS 38 5.080 11.534 -6.420 304 1HE LYS 38 HE2 LYS 38 7.389 11.277 -5.495 305 2HE LYS 38 HE3 LYS 38 8.017 11.046 -7.114 306 1HZ LYS 38 HZ1 LYS 38 8.271 13.245 -6.990 307 2HZ LYS 38 HZ2 LYS 38 6.693 13.311 -7.408 308 3HZ LYS 38 HZ3 LYS 38 7.130 13.459 -5.841 309 H GLY 39 HN GLY 39 5.434 5.070 -8.524 310 1HA GLY 39 HA1 GLY 39 6.306 3.548 -10.123 311 2HA GLY 39 HA2 GLY 39 7.685 4.600 -10.368 312 H LYS 40 HN LYS 40 7.206 4.821 -7.102 313 HA LYS 40 HA LYS 40 9.286 2.873 -6.602 314 1HB LYS 40 HB2 LYS 40 8.871 5.410 -5.696 315 2HB LYS 40 HB3 LYS 40 8.188 4.485 -4.374 316 1HG LYS 40 HG2 LYS 40 10.340 3.070 -4.404 317 2HG LYS 40 HG3 LYS 40 11.005 4.247 -5.518 318 1HD LYS 40 HD2 LYS 40 11.733 5.215 -3.549 319 2HD LYS 40 HD3 LYS 40 10.158 5.978 -3.632 320 1HE LYS 40 HE2 LYS 40 11.036 3.641 -1.912 321 2HE LYS 40 HE3 LYS 40 10.247 5.125 -1.417 322 1HZ LYS 40 HZ1 LYS 40 8.253 4.391 -2.476 323 2HZ LYS 40 HZ2 LYS 40 8.976 3.052 -3.067 324 3HZ LYS 40 HZ3 LYS 40 8.760 3.220 -1.457 325 H SER 41 HN SER 41 8.231 0.861 -6.845 326 HA SER 41 HA SER 41 5.945 0.449 -5.118 327 1HB SER 41 HB2 SER 41 6.081 -0.287 -7.611 328 2HB SER 41 HB3 SER 41 7.139 -1.569 -7.053 329 HG SER 41 HG SER 41 5.485 -2.511 -5.901 330 H VAL 42 HN VAL 42 6.529 -0.054 -3.025 331 HA VAL 42 HA VAL 42 8.319 -2.312 -2.676 332 HB VAL 42 HB VAL 42 9.893 -1.262 -1.397 333 1HG1 VAL 42 HG11 VAL 42 9.030 0.925 -3.321 334 2HG1 VAL 42 HG12 VAL 42 10.623 0.800 -2.537 335 3HG1 VAL 42 HG13 VAL 42 10.101 -0.447 -3.694 336 1HG2 VAL 42 HG21 VAL 42 7.660 0.361 -0.508 337 2HG2 VAL 42 HG22 VAL 42 9.195 -0.008 0.313 338 3HG2 VAL 42 HG23 VAL 42 9.096 1.367 -0.813 339 H ASN 43 HN ASN 43 8.006 -3.381 -0.617 340 HA ASN 43 HA ASN 43 5.504 -3.708 0.155 341 1HB ASN 43 HB2 ASN 43 7.663 -3.635 2.298 342 2HB ASN 43 HB3 ASN 43 6.348 -4.780 2.127 343 1HD2 ASN 43 HD21 ASN 43 9.387 -4.916 2.231 344 2HD2 ASN 43 HD22 ASN 43 9.841 -5.947 0.915 345 H LEU 44 HN LEU 44 4.287 -1.699 0.262 346 HA LEU 44 HA LEU 44 4.669 0.651 1.199 347 1HB LEU 44 HB2 LEU 44 2.399 -0.264 2.697 348 2HB LEU 44 HB3 LEU 44 2.470 0.763 1.279 349 HG LEU 44 HG LEU 44 2.572 -1.297 -0.146 350 1HD1 LEU 44 HD11 LEU 44 1.908 -2.753 2.427 351 2HD1 LEU 44 HD12 LEU 44 1.996 -3.454 0.794 352 3HD1 LEU 44 HD13 LEU 44 3.467 -2.824 1.573 353 1HD2 LEU 44 HD21 LEU 44 0.481 -0.027 0.291 354 2HD2 LEU 44 HD22 LEU 44 0.212 -1.756 -0.036 355 3HD2 LEU 44 HD23 LEU 44 0.124 -1.142 1.632 356 H LYS 45 HN LYS 45 4.670 -2.227 3.345 357 HA LYS 45 HA LYS 45 5.202 -0.561 5.645 358 1HB LYS 45 HB2 LYS 45 3.714 -2.466 5.893 359 2HB LYS 45 HB3 LYS 45 4.946 -3.562 5.302 360 1HG LYS 45 HG2 LYS 45 5.932 -1.900 7.528 361 2HG LYS 45 HG3 LYS 45 4.517 -2.828 7.984 362 1HD LYS 45 HD2 LYS 45 5.598 -4.865 7.763 363 2HD LYS 45 HD3 LYS 45 6.582 -4.323 6.418 364 1HE LYS 45 HE2 LYS 45 8.228 -4.414 8.053 365 2HE LYS 45 HE3 LYS 45 7.701 -2.760 8.294 366 1HZ LYS 45 HZ1 LYS 45 6.473 -4.982 9.753 367 2HZ LYS 45 HZ2 LYS 45 7.812 -4.227 10.304 368 3HZ LYS 45 HZ3 LYS 45 6.423 -3.390 10.113 369 H SER 46 HN SER 46 7.043 -0.708 3.209 370 HA SER 46 HA SER 46 9.343 -1.970 4.414 371 1HB SER 46 HB2 SER 46 9.346 -2.511 2.155 372 2HB SER 46 HB3 SER 46 8.604 -0.998 1.674 373 HG SER 46 HG SER 46 11.335 -1.282 2.605 374 H ILE 47 HN ILE 47 10.343 -0.702 5.953 375 HA ILE 47 HA ILE 47 10.109 1.931 6.379 376 HB ILE 47 HB ILE 47 12.252 -0.062 6.874 377 1HG1 ILE 47 HG12 ILE 47 11.623 0.153 9.093 378 2HG1 ILE 47 HG13 ILE 47 11.039 1.793 8.895 379 1HG2 ILE 47 HG21 ILE 47 13.218 2.128 8.224 380 2HG2 ILE 47 HG22 ILE 47 13.898 1.442 6.729 381 3HG2 ILE 47 HG23 ILE 47 12.768 2.815 6.645 382 1HD1 ILE 47 HD11 ILE 47 9.172 0.156 9.161 383 2HD1 ILE 47 HD12 ILE 47 9.101 0.993 7.592 384 3HD1 ILE 47 HD13 ILE 47 9.712 -0.677 7.684 385 H MET 48 HN MET 48 13.308 1.006 5.060 386 HA MET 48 HA MET 48 13.932 3.326 3.959 387 1HB MET 48 HB2 MET 48 15.012 1.655 2.075 388 2HB MET 48 HB3 MET 48 15.656 1.782 3.700 389 1HG MET 48 HG2 MET 48 14.820 -0.283 4.348 390 2HG MET 48 HG3 MET 48 13.375 -0.132 3.368 391 1HE MET 48 HE1 MET 48 14.599 0.648 0.472 392 2HE MET 48 HE2 MET 48 14.578 -1.001 -0.198 393 3HE MET 48 HE3 MET 48 13.251 -0.450 0.852 394 H GLY 49 HN GLY 49 12.336 0.655 2.061 395 1HA GLY 49 HA1 GLY 49 11.957 1.949 -0.314 396 2HA GLY 49 HA2 GLY 49 10.875 0.741 0.350 397 H VAL 50 HN VAL 50 10.426 2.609 2.801 398 HA VAL 50 HA VAL 50 8.368 4.207 1.473 399 HB VAL 50 HB VAL 50 8.687 2.871 4.110 400 1HG1 VAL 50 HG11 VAL 50 6.622 4.401 4.795 401 2HG1 VAL 50 HG12 VAL 50 8.300 4.883 5.141 402 3HG1 VAL 50 HG13 VAL 50 7.449 5.570 3.737 403 1HG2 VAL 50 HG21 VAL 50 7.148 1.647 3.014 404 2HG2 VAL 50 HG22 VAL 50 6.016 2.943 3.469 405 3HG2 VAL 50 HG23 VAL 50 6.784 2.956 1.864 406 H MET 51 HN MET 51 11.140 4.362 3.766 407 HA MET 51 HA MET 51 10.994 6.832 4.700 408 1HB MET 51 HB2 MET 51 13.354 5.282 3.534 409 2HB MET 51 HB3 MET 51 13.608 6.839 4.297 410 1HG MET 51 HG2 MET 51 11.912 5.035 5.922 411 2HG MET 51 HG3 MET 51 13.506 4.373 5.618 412 1HE MET 51 HE1 MET 51 12.259 7.860 5.577 413 2HE MET 51 HE2 MET 51 12.994 8.696 6.967 414 3HE MET 51 HE3 MET 51 13.974 8.332 5.526 415 H SER 52 HN SER 52 12.033 5.939 1.358 416 HA SER 52 HA SER 52 12.406 8.717 0.734 417 1HB SER 52 HB2 SER 52 13.933 7.739 -0.622 418 2HB SER 52 HB3 SER 52 13.232 6.151 -0.377 419 HG SER 52 HG SER 52 11.510 6.940 -1.971 420 H LEU 53 HN LEU 53 9.919 6.272 0.635 421 HA LEU 53 HA LEU 53 8.474 7.382 -1.561 422 1HB LEU 53 HB2 LEU 53 8.474 4.980 -0.700 423 2HB LEU 53 HB3 LEU 53 7.420 5.546 0.581 424 HG LEU 53 HG LEU 53 6.765 5.914 -2.349 425 1HD1 LEU 53 HD11 LEU 53 5.205 3.846 -1.083 426 2HD1 LEU 53 HD12 LEU 53 6.176 3.787 -2.573 427 3HD1 LEU 53 HD13 LEU 53 6.938 3.453 -1.000 428 1HD2 LEU 53 HD21 LEU 53 4.455 6.150 -1.501 429 2HD2 LEU 53 HD22 LEU 53 5.075 6.036 0.164 430 3HD2 LEU 53 HD23 LEU 53 5.555 7.401 -0.873 431 H GLY 54 HN GLY 54 6.466 6.800 1.196 432 1HA GLY 54 HA1 GLY 54 5.174 8.140 2.453 433 2HA GLY 54 HA2 GLY 54 6.478 9.311 2.437 434 H VAL 55 HN VAL 55 3.265 8.838 1.609 435 HA VAL 55 HA VAL 55 3.427 10.927 -0.453 436 HB VAL 55 HB VAL 55 0.996 9.644 -0.785 437 1HG1 VAL 55 HG11 VAL 55 3.122 10.412 -2.329 438 2HG1 VAL 55 HG12 VAL 55 3.187 8.640 -2.491 439 3HG1 VAL 55 HG13 VAL 55 1.701 9.520 -2.924 440 1HG2 VAL 55 HG21 VAL 55 2.036 7.838 0.740 441 2HG2 VAL 55 HG22 VAL 55 1.298 7.318 -0.794 442 3HG2 VAL 55 HG23 VAL 55 3.068 7.450 -0.657 443 H GLY 56 HN GLY 56 0.792 11.703 -0.571 444 1HA GLY 56 HA1 GLY 56 -0.747 11.940 1.638 445 2HA GLY 56 HA2 GLY 56 0.518 13.115 1.933 446 H GLN 57 HN GLN 57 0.702 15.005 0.614 447 HA GLN 57 HA GLN 57 -1.488 16.235 -0.153 448 1HB GLN 57 HB2 GLN 57 1.360 16.471 -0.818 449 2HB GLN 57 HB3 GLN 57 0.351 17.074 -2.117 450 1HG GLN 57 HG2 GLN 57 -0.817 18.598 -0.600 451 2HG GLN 57 HG3 GLN 57 -0.040 17.885 0.799 452 1HE2 GLN 57 HE21 GLN 57 0.494 20.182 1.139 453 2HE2 GLN 57 HE22 GLN 57 1.954 20.817 0.456 454 H GLY 58 HN GLY 58 -3.032 14.747 -1.082 455 1HA GLY 58 HA1 GLY 58 -3.993 13.502 -2.716 456 2HA GLY 58 HA2 GLY 58 -3.552 14.878 -3.708 457 H SER 59 HN SER 59 -0.842 13.208 -2.287 458 HA SER 59 HA SER 59 0.309 12.653 -4.696 459 1HB SER 59 HB2 SER 59 0.798 11.081 -2.133 460 2HB SER 59 HB3 SER 59 1.935 11.345 -3.439 461 HG SER 59 HG SER 59 0.895 13.301 -1.582 462 H ASP 60 HN ASP 60 0.239 10.930 -6.152 463 HA ASP 60 HA ASP 60 -1.783 8.950 -5.564 464 1HB ASP 60 HB2 ASP 60 -1.766 8.490 -7.956 465 2HB ASP 60 HB3 ASP 60 -1.840 10.226 -7.727 466 H VAL 61 HN VAL 61 -1.284 6.643 -5.730 467 HA VAL 61 HA VAL 61 1.485 5.925 -6.221 468 HB VAL 61 HB VAL 61 1.590 4.631 -4.122 469 1HG1 VAL 61 HG11 VAL 61 2.167 6.477 -2.690 470 2HG1 VAL 61 HG12 VAL 61 2.580 6.923 -4.363 471 3HG1 VAL 61 HG13 VAL 61 1.112 7.583 -3.602 472 1HG2 VAL 61 HG21 VAL 61 -0.612 4.243 -3.445 473 2HG2 VAL 61 HG22 VAL 61 -0.041 5.466 -2.284 474 3HG2 VAL 61 HG23 VAL 61 -1.081 5.948 -3.646 475 H THR 62 HN THR 62 1.620 3.363 -6.017 476 HA THR 62 HA THR 62 -0.915 2.235 -6.993 477 HB THR 62 HB THR 62 1.779 2.432 -8.320 478 HG1 THR 62 HG1 THR 62 0.269 3.226 -9.727 479 1HG2 THR 62 HG21 THR 62 1.834 0.072 -8.348 480 2HG2 THR 62 HG22 THR 62 0.064 -0.065 -8.212 481 3HG2 THR 62 HG23 THR 62 0.804 0.404 -9.761 482 H ILE 63 HN ILE 63 -1.522 0.374 -6.051 483 HA ILE 63 HA ILE 63 0.435 -0.807 -4.221 484 HB ILE 63 HB ILE 63 -2.205 0.018 -3.878 485 1HG1 ILE 63 HG12 ILE 63 -1.600 -1.631 -1.715 486 2HG1 ILE 63 HG13 ILE 63 -0.027 -1.164 -2.329 487 1HG2 ILE 63 HG21 ILE 63 -3.257 -2.169 -3.115 488 2HG2 ILE 63 HG22 ILE 63 -3.187 -1.880 -4.871 489 3HG2 ILE 63 HG23 ILE 63 -2.024 -2.989 -4.103 490 1HD1 ILE 63 HD11 ILE 63 -0.290 0.813 -1.256 491 2HD1 ILE 63 HD12 ILE 63 -1.556 1.211 -2.442 492 3HD1 ILE 63 HD13 ILE 63 -1.995 0.448 -0.895 493 H THR 64 HN THR 64 0.459 -3.207 -4.038 494 HA THR 64 HA THR 64 -0.501 -4.576 -6.435 495 HB THR 64 HB THR 64 2.360 -4.988 -5.515 496 HG1 THR 64 HG1 THR 64 1.416 -3.079 -7.517 497 1HG2 THR 64 HG21 THR 64 2.075 -4.816 -8.343 498 2HG2 THR 64 HG22 THR 64 2.322 -6.298 -7.389 499 3HG2 THR 64 HG23 THR 64 0.672 -5.757 -7.781 500 H VAL 65 HN VAL 65 -0.910 -6.784 -6.166 501 HA VAL 65 HA VAL 65 -0.350 -7.881 -3.528 502 HB VAL 65 HB VAL 65 -2.625 -6.673 -3.648 503 1HG1 VAL 65 HG11 VAL 65 -2.935 -8.596 -5.784 504 2HG1 VAL 65 HG12 VAL 65 -4.153 -8.880 -4.517 505 3HG1 VAL 65 HG13 VAL 65 -4.020 -7.278 -5.281 506 1HG2 VAL 65 HG21 VAL 65 -2.488 -7.868 -1.724 507 2HG2 VAL 65 HG22 VAL 65 -3.667 -8.915 -2.551 508 3HG2 VAL 65 HG23 VAL 65 -1.940 -9.347 -2.551 509 H ASP 66 HN ASP 66 0.482 -9.888 -3.777 510 HA ASP 66 HA ASP 66 -0.454 -11.401 -6.071 511 1HB ASP 66 HB2 ASP 66 2.398 -11.824 -5.366 512 2HB ASP 66 HB3 ASP 66 1.647 -11.729 -6.946 513 H GLY 67 HN GLY 67 -0.851 -13.581 -5.504 514 1HA GLY 67 HA1 GLY 67 0.133 -15.461 -4.165 515 2HA GLY 67 HA2 GLY 67 -0.016 -14.391 -2.786 516 H ALA 68 HN ALA 68 -1.511 -15.734 -1.660 517 HA ALA 68 HA ALA 68 -3.958 -16.480 -2.992 518 1HB ALA 68 HB1 ALA 68 -3.373 -16.757 -0.039 519 2HB ALA 68 HB2 ALA 68 -4.344 -17.810 -1.095 520 3HB ALA 68 HB3 ALA 68 -2.569 -17.811 -1.226 521 H ASP 69 HN ASP 69 -2.907 -14.325 -0.270 522 HA ASP 69 HA ASP 69 -5.388 -13.391 0.374 523 1HB ASP 69 HB2 ASP 69 -2.576 -12.507 0.698 524 2HB ASP 69 HB3 ASP 69 -3.717 -11.177 0.716 525 H GLU 70 HN GLU 70 -3.151 -12.577 -2.288 526 HA GLU 70 HA GLU 70 -3.357 -10.414 -3.354 527 1HB GLU 70 HB2 GLU 70 -4.429 -11.310 -5.533 528 2HB GLU 70 HB3 GLU 70 -3.026 -12.161 -4.915 529 1HG GLU 70 HG2 GLU 70 -4.280 -14.054 -4.983 530 2HG GLU 70 HG3 GLU 70 -5.150 -13.426 -3.597 531 H ALA 71 HN ALA 71 -6.534 -12.179 -3.603 532 HA ALA 71 HA ALA 71 -8.028 -9.915 -4.164 533 1HB ALA 71 HB1 ALA 71 -8.903 -12.455 -2.731 534 2HB ALA 71 HB2 ALA 71 -9.944 -11.333 -3.640 535 3HB ALA 71 HB3 ALA 71 -8.714 -12.296 -4.494 536 H GLU 72 HN GLU 72 -8.160 -11.736 -1.023 537 HA GLU 72 HA GLU 72 -9.370 -9.762 0.380 538 1HB GLU 72 HB2 GLU 72 -9.314 -11.550 1.769 539 2HB GLU 72 HB3 GLU 72 -7.909 -12.224 0.967 540 1HG GLU 72 HG2 GLU 72 -7.265 -11.762 3.253 541 2HG GLU 72 HG3 GLU 72 -6.457 -10.578 2.245 542 H GLY 73 HN GLY 73 -5.820 -10.338 -0.052 543 1HA GLY 73 HA1 GLY 73 -4.760 -8.462 1.617 544 2HA GLY 73 HA2 GLY 73 -4.086 -8.904 0.061 545 H MET 74 HN MET 74 -4.916 -7.742 -1.917 546 HA MET 74 HA MET 74 -4.765 -5.036 -1.570 547 1HB MET 74 HB2 MET 74 -5.629 -4.975 -3.970 548 2HB MET 74 HB3 MET 74 -4.328 -6.123 -3.729 549 1HG MET 74 HG2 MET 74 -5.671 -7.770 -4.526 550 2HG MET 74 HG3 MET 74 -6.723 -7.556 -3.141 551 1HE MET 74 HE1 MET 74 -9.707 -7.337 -5.164 552 2HE MET 74 HE2 MET 74 -8.674 -8.163 -3.973 553 3HE MET 74 HE3 MET 74 -9.397 -6.584 -3.581 554 H ALA 75 HN ALA 75 -7.603 -7.202 -1.561 555 HA ALA 75 HA ALA 75 -9.651 -5.488 -2.032 556 1HB ALA 75 HB1 ALA 75 -10.279 -7.696 -1.692 557 2HB ALA 75 HB2 ALA 75 -9.255 -7.878 -0.248 558 3HB ALA 75 HB3 ALA 75 -10.784 -6.972 -0.146 559 H ALA 76 HN ALA 76 -8.040 -6.081 1.173 560 HA ALA 76 HA ALA 76 -9.519 -4.155 2.548 561 1HB ALA 76 HB1 ALA 76 -8.408 -5.166 4.216 562 2HB ALA 76 HB2 ALA 76 -7.384 -6.006 3.026 563 3HB ALA 76 HB3 ALA 76 -6.890 -4.419 3.662 564 H ILE 77 HN ILE 77 -6.159 -3.990 1.163 565 HA ILE 77 HA ILE 77 -5.619 -1.390 1.756 566 HB ILE 77 HB ILE 77 -4.722 -3.377 -0.197 567 1HG1 ILE 77 HG12 ILE 77 -3.517 -3.123 1.836 568 2HG1 ILE 77 HG13 ILE 77 -2.500 -2.493 0.556 569 1HG2 ILE 77 HG21 ILE 77 -4.917 -1.898 -1.937 570 2HG2 ILE 77 HG22 ILE 77 -4.730 -0.467 -0.895 571 3HG2 ILE 77 HG23 ILE 77 -3.309 -1.454 -1.315 572 1HD1 ILE 77 HD11 ILE 77 -3.964 -1.006 2.730 573 2HD1 ILE 77 HD12 ILE 77 -2.307 -0.777 2.121 574 3HD1 ILE 77 HD13 ILE 77 -3.693 -0.181 1.176 575 H VAL 78 HN VAL 78 -7.044 -2.549 -1.386 576 HA VAL 78 HA VAL 78 -7.556 -0.138 -2.503 577 HB VAL 78 HB VAL 78 -9.491 -2.450 -2.590 578 1HG1 VAL 78 HG11 VAL 78 -10.427 -0.997 -4.049 579 2HG1 VAL 78 HG12 VAL 78 -8.925 -0.064 -4.250 580 3HG1 VAL 78 HG13 VAL 78 -9.156 -1.583 -5.149 581 1HG2 VAL 78 HG21 VAL 78 -6.656 -2.466 -3.205 582 2HG2 VAL 78 HG22 VAL 78 -7.829 -3.804 -3.214 583 3HG2 VAL 78 HG23 VAL 78 -7.627 -2.788 -4.661 584 H GLU 79 HN GLU 79 -9.921 -2.004 -0.459 585 HA GLU 79 HA GLU 79 -11.802 -0.032 -0.355 586 1HB GLU 79 HB2 GLU 79 -11.181 -2.503 1.102 587 2HB GLU 79 HB3 GLU 79 -11.943 -1.320 2.146 588 1HG GLU 79 HG2 GLU 79 -13.289 -1.351 -0.440 589 2HG GLU 79 HG3 GLU 79 -13.200 -2.981 0.195 590 H THR 80 HN THR 80 -9.049 -0.673 1.918 591 HA THR 80 HA THR 80 -9.630 1.405 3.694 592 HB THR 80 HB THR 80 -7.662 -0.641 3.281 593 HG1 THR 80 HG1 THR 80 -7.560 -0.227 5.537 594 1HG2 THR 80 HG21 THR 80 -5.668 0.686 4.180 595 2HG2 THR 80 HG22 THR 80 -6.031 0.994 2.465 596 3HG2 THR 80 HG23 THR 80 -6.527 2.171 3.705 597 H LEU 81 HN LEU 81 -7.545 1.343 0.743 598 HA LEU 81 HA LEU 81 -6.444 3.804 0.900 599 1HB LEU 81 HB2 LEU 81 -7.446 2.167 -1.402 600 2HB LEU 81 HB3 LEU 81 -6.782 3.764 -1.685 601 HG LEU 81 HG LEU 81 -5.351 1.438 -1.645 602 1HD1 LEU 81 HD11 LEU 81 -4.796 3.792 -2.491 603 2HD1 LEU 81 HD12 LEU 81 -4.085 4.066 -0.882 604 3HD1 LEU 81 HD13 LEU 81 -3.449 2.773 -1.928 605 1HD2 LEU 81 HD21 LEU 81 -5.247 0.850 0.553 606 2HD2 LEU 81 HD22 LEU 81 -3.846 1.945 0.485 607 3HD2 LEU 81 HD23 LEU 81 -5.399 2.526 1.132 608 H GLN 82 HN GLN 82 -9.779 2.991 -0.235 609 HA GLN 82 HA GLN 82 -10.314 5.832 -0.366 610 1HB GLN 82 HB2 GLN 82 -12.542 4.006 -1.004 611 2HB GLN 82 HB3 GLN 82 -11.877 5.326 -1.945 612 1HG GLN 82 HG2 GLN 82 -10.934 3.773 -3.304 613 2HG GLN 82 HG3 GLN 82 -9.837 3.385 -1.993 614 1HE2 GLN 82 HE21 GLN 82 -10.351 1.439 -3.690 615 2HE2 GLN 82 HE22 GLN 82 -11.402 0.227 -3.036 616 H LYS 83 HN LYS 83 -10.557 3.174 1.794 617 HA LYS 83 HA LYS 83 -12.968 4.069 3.084 618 1HB LYS 83 HB2 LYS 83 -12.975 1.920 3.653 619 2HB LYS 83 HB3 LYS 83 -11.349 1.697 3.042 620 1HG LYS 83 HG2 LYS 83 -10.396 2.501 5.183 621 2HG LYS 83 HG3 LYS 83 -12.000 2.847 5.797 622 1HD LYS 83 HD2 LYS 83 -10.733 0.522 6.326 623 2HD LYS 83 HD3 LYS 83 -12.478 0.625 6.212 624 1HE LYS 83 HE2 LYS 83 -12.286 0.036 3.740 625 2HE LYS 83 HE3 LYS 83 -10.568 -0.215 3.980 626 1HZ LYS 83 HZ1 LYS 83 -12.026 -2.211 4.185 627 2HZ LYS 83 HZ2 LYS 83 -10.993 -1.976 5.427 628 3HZ LYS 83 HZ3 LYS 83 -12.574 -1.607 5.599 629 H GLU 84 HN GLU 84 -9.414 4.307 3.516 630 HA GLU 84 HA GLU 84 -9.880 5.835 5.929 631 1HB GLU 84 HB2 GLU 84 -7.137 5.237 4.810 632 2HB GLU 84 HB3 GLU 84 -7.622 5.444 6.482 633 1HG GLU 84 HG2 GLU 84 -8.624 3.118 4.785 634 2HG GLU 84 HG3 GLU 84 -7.129 3.027 5.695 635 H GLY 85 HN GLY 85 -10.342 6.629 2.923 636 1HA GLY 85 HA1 GLY 85 -10.082 8.448 1.626 637 2HA GLY 85 HA2 GLY 85 -9.902 9.333 3.128 638 H LEU 86 HN LEU 86 -7.568 6.778 2.560 639 HA LEU 86 HA LEU 86 -5.482 8.750 2.395 640 1HB LEU 86 HB2 LEU 86 -5.760 5.938 3.101 641 2HB LEU 86 HB3 LEU 86 -4.355 6.232 2.096 642 HG LEU 86 HG LEU 86 -4.974 7.659 4.698 643 1HD1 LEU 86 HD11 LEU 86 -3.941 6.037 5.808 644 2HD1 LEU 86 HD12 LEU 86 -4.008 5.064 4.319 645 3HD1 LEU 86 HD13 LEU 86 -2.567 6.046 4.677 646 1HD2 LEU 86 HD21 LEU 86 -3.530 8.719 2.703 647 2HD2 LEU 86 HD22 LEU 86 -3.148 8.969 4.423 648 3HD2 LEU 86 HD23 LEU 86 -2.264 7.742 3.484 649 H ALA 87 HN ALA 87 -7.350 6.682 0.241 650 HA ALA 87 HA ALA 87 -5.976 7.886 -2.002 651 1HB ALA 87 HB1 ALA 87 -4.681 6.094 -2.416 652 2HB ALA 87 HB2 ALA 87 -5.443 5.174 -1.097 653 3HB ALA 87 HB3 ALA 87 -6.168 5.165 -2.722 654 H GLU 88 HN GLU 88 -7.158 7.072 -4.119 655 HA GLU 88 HA GLU 88 -9.985 7.102 -3.435 656 1HB GLU 88 HB2 GLU 88 -10.153 7.811 -5.950 657 2HB GLU 88 HB3 GLU 88 -9.583 8.982 -4.778 658 1HG GLU 88 HG2 GLU 88 -7.382 8.898 -5.541 659 2HG GLU 88 HG3 GLU 88 -7.501 7.224 -6.044 660 H GLN 89 HN GLN 89 -11.172 6.182 -5.757 661 HA GLN 89 HA GLN 89 -11.244 3.539 -5.472 662 1HB GLN 89 HB2 GLN 89 -11.800 5.377 -7.778 663 2HB GLN 89 HB3 GLN 89 -11.784 3.659 -8.124 664 1HG GLN 89 HG2 GLN 89 -13.566 3.205 -6.603 665 2HG GLN 89 HG3 GLN 89 -13.346 4.717 -5.745 666 1HE2 GLN 89 HE21 GLN 89 -14.576 6.375 -6.243 667 2HE2 GLN 89 HE22 GLN 89 -15.568 6.549 -7.652 Start of MODEL 3 1 H MET 1 HN MET 1 -1.368 -12.765 -9.061 2 HA MET 1 HA MET 1 0.310 -10.977 -8.512 3 1HB MET 1 HB2 MET 1 0.462 -10.790 -11.552 4 2HB MET 1 HB3 MET 1 1.522 -10.045 -10.372 5 1HG MET 1 HG2 MET 1 2.940 -11.800 -10.637 6 2HG MET 1 HG3 MET 1 1.748 -12.817 -9.852 7 1HE MET 1 HE1 MET 1 0.520 -15.104 -12.438 8 2HE MET 1 HE2 MET 1 1.697 -15.108 -11.103 9 3HE MET 1 HE3 MET 1 0.129 -14.291 -10.903 10 H GLU 2 HN GLU 2 -1.093 -9.386 -7.918 11 HA GLU 2 HA GLU 2 -2.893 -8.398 -9.955 12 1HB GLU 2 HB2 GLU 2 -3.772 -9.394 -7.213 13 2HB GLU 2 HB3 GLU 2 -4.771 -8.368 -8.223 14 1HG GLU 2 HG2 GLU 2 -3.952 -10.397 -9.983 15 2HG GLU 2 HG3 GLU 2 -4.196 -11.252 -8.473 16 H LYS 3 HN LYS 3 -1.819 -6.410 -10.081 17 HA LYS 3 HA LYS 3 -1.271 -5.020 -7.588 18 1HB LYS 3 HB2 LYS 3 0.479 -4.213 -8.693 19 2HB LYS 3 HB3 LYS 3 0.038 -5.205 -10.067 20 1HG LYS 3 HG2 LYS 3 -1.614 -3.296 -10.705 21 2HG LYS 3 HG3 LYS 3 -0.767 -2.319 -9.522 22 1HD LYS 3 HD2 LYS 3 0.279 -1.876 -11.650 23 2HD LYS 3 HD3 LYS 3 1.408 -2.856 -10.736 24 1HE LYS 3 HE2 LYS 3 1.009 -4.786 -12.036 25 2HE LYS 3 HE3 LYS 3 -0.584 -4.251 -12.535 26 1HZ LYS 3 HZ1 LYS 3 1.519 -4.056 -14.072 27 2HZ LYS 3 HZ2 LYS 3 0.279 -2.997 -14.166 28 3HZ LYS 3 HZ3 LYS 3 1.635 -2.597 -13.349 29 H LYS 4 HN LYS 4 -2.067 -2.852 -7.180 30 HA LYS 4 HA LYS 4 -4.300 -2.019 -8.845 31 1HB LYS 4 HB2 LYS 4 -5.167 -3.571 -7.037 32 2HB LYS 4 HB3 LYS 4 -4.643 -2.385 -5.859 33 1HG LYS 4 HG2 LYS 4 -6.946 -1.878 -6.284 34 2HG LYS 4 HG3 LYS 4 -6.037 -0.648 -7.138 35 1HD LYS 4 HD2 LYS 4 -6.220 -2.057 -9.246 36 2HD LYS 4 HD3 LYS 4 -7.253 -3.167 -8.366 37 1HE LYS 4 HE2 LYS 4 -8.863 -1.303 -7.907 38 2HE LYS 4 HE3 LYS 4 -7.831 -0.194 -8.786 39 1HZ LYS 4 HZ1 LYS 4 -8.094 -1.995 -10.621 40 2HZ LYS 4 HZ2 LYS 4 -9.465 -2.356 -9.810 41 3HZ LYS 4 HZ3 LYS 4 -9.241 -0.852 -10.406 42 H GLU 5 HN GLU 5 -3.770 0.019 -9.406 43 HA GLU 5 HA GLU 5 -2.004 1.489 -7.717 44 1HB GLU 5 HB2 GLU 5 -3.416 2.427 -10.249 45 2HB GLU 5 HB3 GLU 5 -1.990 3.136 -9.519 46 1HG GLU 5 HG2 GLU 5 -0.789 1.793 -10.912 47 2HG GLU 5 HG3 GLU 5 -1.213 0.481 -9.831 48 H PHE 6 HN PHE 6 -2.520 3.836 -7.121 49 HA PHE 6 HA PHE 6 -5.269 4.558 -6.955 50 1HB PHE 6 HB2 PHE 6 -3.650 3.808 -4.445 51 2HB PHE 6 HB3 PHE 6 -5.251 4.521 -4.413 52 HD1 PHE 6 HD1 PHE 6 -3.348 1.472 -4.823 53 HD2 PHE 6 HD2 PHE 6 -7.205 3.199 -5.202 54 HE1 PHE 6 HE1 PHE 6 -4.370 -0.820 -4.873 55 HE2 PHE 6 HE2 PHE 6 -8.227 0.907 -5.252 56 HZ PHE 6 HZ PHE 6 -6.797 -1.075 -5.087 57 H HIS 7 HN HIS 7 -5.314 6.513 -5.105 58 HA HIS 7 HA HIS 7 -2.838 8.002 -5.301 59 1HB HIS 7 HB2 HIS 7 -3.588 9.065 -7.136 60 2HB HIS 7 HB3 HIS 7 -5.251 8.578 -6.878 61 HD1 HIS 7 HD1 HIS 7 -3.474 11.551 -7.205 62 HD2 HIS 7 HD2 HIS 7 -6.176 10.188 -4.300 63 HE1 HIS 7 HE1 HIS 7 -4.384 13.632 -6.042 64 H ILE 8 HN ILE 8 -2.466 9.217 -3.471 65 HA ILE 8 HA ILE 8 -4.084 8.761 -1.239 66 HB ILE 8 HB ILE 8 -1.924 10.812 -1.738 67 1HG1 ILE 8 HG12 ILE 8 -0.754 8.875 -1.962 68 2HG1 ILE 8 HG13 ILE 8 -0.718 9.005 -0.215 69 1HG2 ILE 8 HG21 ILE 8 -1.719 10.762 0.778 70 2HG2 ILE 8 HG22 ILE 8 -3.162 11.582 0.133 71 3HG2 ILE 8 HG23 ILE 8 -3.299 9.942 0.811 72 1HD1 ILE 8 HD11 ILE 8 -1.380 6.715 -1.047 73 2HD1 ILE 8 HD12 ILE 8 -2.599 7.462 0.013 74 3HD1 ILE 8 HD13 ILE 8 -2.844 7.443 -1.750 75 H VAL 9 HN VAL 9 -5.787 9.853 -0.335 76 HA VAL 9 HA VAL 9 -6.490 12.414 -1.579 77 HB VAL 9 HB VAL 9 -8.882 11.672 -1.378 78 1HG1 VAL 9 HG11 VAL 9 -8.888 11.013 -3.555 79 2HG1 VAL 9 HG12 VAL 9 -7.176 11.491 -3.456 80 3HG1 VAL 9 HG13 VAL 9 -7.631 9.777 -3.303 81 1HG2 VAL 9 HG21 VAL 9 -9.114 9.091 -1.526 82 2HG2 VAL 9 HG22 VAL 9 -7.516 9.059 -0.743 83 3HG2 VAL 9 HG23 VAL 9 -8.892 9.841 0.072 84 H ALA 10 HN ALA 10 -5.179 11.212 1.035 85 HA ALA 10 HA ALA 10 -7.082 12.225 2.987 86 1HB ALA 10 HB1 ALA 10 -4.501 10.650 3.072 87 2HB ALA 10 HB2 ALA 10 -5.145 11.424 4.540 88 3HB ALA 10 HB3 ALA 10 -6.111 10.200 3.681 89 H GLU 11 HN GLU 11 -4.391 13.256 1.055 90 HA GLU 11 HA GLU 11 -3.044 14.976 1.124 91 1HB GLU 11 HB2 GLU 11 -4.124 17.141 1.392 92 2HB GLU 11 HB3 GLU 11 -5.257 16.041 0.632 93 1HG GLU 11 HG2 GLU 11 -6.470 15.703 2.703 94 2HG GLU 11 HG3 GLU 11 -5.213 16.475 3.648 95 H THR 12 HN THR 12 -3.321 13.262 3.691 96 HA THR 12 HA THR 12 -2.667 15.146 5.781 97 HB THR 12 HB THR 12 -3.934 12.733 5.745 98 HG1 THR 12 HG1 THR 12 -3.859 13.972 7.645 99 1HG2 THR 12 HG21 THR 12 -0.980 12.210 6.334 100 2HG2 THR 12 HG22 THR 12 -2.279 11.194 7.003 101 3HG2 THR 12 HG23 THR 12 -2.047 11.295 5.241 102 H GLY 13 HN GLY 13 -0.928 12.350 4.246 103 1HA GLY 13 HA1 GLY 13 1.326 13.199 3.380 104 2HA GLY 13 HA2 GLY 13 1.591 13.651 5.052 105 H ILE 14 HN ILE 14 -0.395 10.807 4.363 106 HA ILE 14 HA ILE 14 -0.116 8.736 5.182 107 HB ILE 14 HB ILE 14 2.050 9.142 3.144 108 1HG1 ILE 14 HG12 ILE 14 0.564 8.264 1.622 109 2HG1 ILE 14 HG13 ILE 14 -0.306 7.330 2.823 110 1HG2 ILE 14 HG21 ILE 14 1.536 6.365 3.446 111 2HG2 ILE 14 HG22 ILE 14 3.067 7.246 3.669 112 3HG2 ILE 14 HG23 ILE 14 1.965 7.013 5.047 113 1HD1 ILE 14 HD11 ILE 14 -1.655 9.257 2.021 114 2HD1 ILE 14 HD12 ILE 14 -1.298 9.402 3.759 115 3HD1 ILE 14 HD13 ILE 14 -0.386 10.373 2.578 116 H HIS 15 HN HIS 15 0.319 9.645 7.399 117 HA HIS 15 HA HIS 15 3.121 9.391 8.150 118 1HB HIS 15 HB2 HIS 15 2.026 10.254 10.400 119 2HB HIS 15 HB3 HIS 15 2.452 11.343 9.095 120 HD2 HIS 15 HD2 HIS 15 0.273 12.538 7.747 121 HE1 HIS 15 HE1 HIS 15 -2.735 10.962 10.313 122 HE2 HIS 15 HE2 HIS 15 -2.174 12.667 8.449 123 H ALA 16 HN ALA 16 3.228 8.467 10.624 124 HA ALA 16 HA ALA 16 3.029 5.797 10.504 125 1HB ALA 16 HB1 ALA 16 3.557 5.844 12.744 126 2HB ALA 16 HB2 ALA 16 3.856 7.555 12.355 127 3HB ALA 16 HB3 ALA 16 2.324 7.071 13.122 128 H ARG 17 HN ARG 17 0.398 8.121 11.147 129 HA ARG 17 HA ARG 17 -1.413 6.240 12.094 130 1HB ARG 17 HB2 ARG 17 -1.471 9.056 11.133 131 2HB ARG 17 HB3 ARG 17 -2.982 8.204 10.888 132 1HG ARG 17 HG2 ARG 17 -3.053 9.252 13.086 133 2HG ARG 17 HG3 ARG 17 -2.959 7.517 13.314 134 1HD ARG 17 HD2 ARG 17 -1.204 7.972 14.707 135 2HD ARG 17 HD3 ARG 17 -0.271 8.198 13.241 136 HE ARG 17 HE ARG 17 -1.351 10.676 13.522 137 1HH1 ARG 17 HH22 ARG 17 0.188 8.569 15.883 138 2HH1 ARG 17 HH21 ARG 17 0.778 9.877 16.855 139 1HH2 ARG 17 HH12 ARG 17 -0.573 12.401 14.803 140 2HH2 ARG 17 HH11 ARG 17 0.342 12.071 16.236 141 HA PRO 18 HA PRO 18 -3.107 5.994 7.702 142 1HB PRO 18 HB2 PRO 18 -2.346 7.762 5.762 143 2HB PRO 18 HB3 PRO 18 -3.753 8.002 6.779 144 1HG PRO 18 HG2 PRO 18 -1.120 9.341 6.911 145 2HG PRO 18 HG3 PRO 18 -2.645 9.845 7.613 146 1HD PRO 18 HD2 PRO 18 -0.436 8.642 8.991 147 2HD PRO 18 HD3 PRO 18 -2.003 9.040 9.668 148 H ALA 19 HN ALA 19 0.251 6.797 7.863 149 HA ALA 19 HA ALA 19 1.079 5.449 5.576 150 1HB ALA 19 HB1 ALA 19 2.390 7.049 7.043 151 2HB ALA 19 HB2 ALA 19 2.587 5.713 8.203 152 3HB ALA 19 HB3 ALA 19 3.271 5.577 6.565 153 H THR 20 HN THR 20 0.742 4.322 9.009 154 HA THR 20 HA THR 20 1.457 1.641 8.319 155 HB THR 20 HB THR 20 -0.035 2.270 10.844 156 HG1 THR 20 HG1 THR 20 2.602 3.322 10.096 157 1HG2 THR 20 HG21 THR 20 1.335 0.616 11.627 158 2HG2 THR 20 HG22 THR 20 1.938 0.402 9.967 159 3HG2 THR 20 HG23 THR 20 2.776 1.507 11.083 160 H LEU 21 HN LEU 21 -1.598 3.467 8.726 161 HA LEU 21 HA LEU 21 -3.422 1.517 8.924 162 1HB LEU 21 HB2 LEU 21 -3.602 4.092 8.579 163 2HB LEU 21 HB3 LEU 21 -3.801 3.684 6.886 164 HG LEU 21 HG LEU 21 -5.579 2.849 9.190 165 1HD1 LEU 21 HD11 LEU 21 -6.120 4.577 6.759 166 2HD1 LEU 21 HD12 LEU 21 -7.293 4.142 8.025 167 3HD1 LEU 21 HD13 LEU 21 -5.885 5.154 8.427 168 1HD2 LEU 21 HD21 LEU 21 -5.611 1.946 6.303 169 2HD2 LEU 21 HD22 LEU 21 -5.491 0.946 7.771 170 3HD2 LEU 21 HD23 LEU 21 -7.007 1.801 7.397 171 H LEU 22 HN LEU 22 -1.966 2.621 5.782 172 HA LEU 22 HA LEU 22 -3.200 0.524 4.336 173 1HB LEU 22 HB2 LEU 22 -1.647 1.265 2.532 174 2HB LEU 22 HB3 LEU 22 -2.708 2.501 3.179 175 HG LEU 22 HG LEU 22 -0.458 2.841 4.723 176 1HD1 LEU 22 HD11 LEU 22 0.573 1.118 3.032 177 2HD1 LEU 22 HD12 LEU 22 0.689 2.543 1.972 178 3HD1 LEU 22 HD13 LEU 22 1.499 2.545 3.557 179 1HD2 LEU 22 HD21 LEU 22 -1.525 4.174 2.258 180 2HD2 LEU 22 HD22 LEU 22 -1.471 4.753 3.941 181 3HD2 LEU 22 HD23 LEU 22 0.016 4.721 2.962 182 H VAL 23 HN VAL 23 0.307 1.125 5.103 183 HA VAL 23 HA VAL 23 1.276 -1.281 4.311 184 HB VAL 23 HB VAL 23 2.720 0.482 4.943 185 1HG1 VAL 23 HG11 VAL 23 2.269 0.321 7.870 186 2HG1 VAL 23 HG12 VAL 23 2.619 1.726 6.834 187 3HG1 VAL 23 HG13 VAL 23 0.964 1.077 6.924 188 1HG2 VAL 23 HG21 VAL 23 2.961 -1.890 6.815 189 2HG2 VAL 23 HG22 VAL 23 3.765 -1.639 5.247 190 3HG2 VAL 23 HG23 VAL 23 4.220 -0.642 6.650 191 H GLN 24 HN GLN 24 -0.062 -0.443 7.578 192 HA GLN 24 HA GLN 24 0.347 -2.863 8.746 193 1HB GLN 24 HB2 GLN 24 -1.254 -2.181 10.388 194 2HB GLN 24 HB3 GLN 24 -0.520 -0.704 9.798 195 1HG GLN 24 HG2 GLN 24 -2.461 0.027 8.795 196 2HG GLN 24 HG3 GLN 24 -2.916 -1.578 8.259 197 1HE2 GLN 24 HE21 GLN 24 -2.292 0.045 11.374 198 2HE2 GLN 24 HE22 GLN 24 -3.733 -0.472 12.183 199 H THR 25 HN THR 25 -2.264 -1.813 6.520 200 HA THR 25 HA THR 25 -3.664 -4.330 6.825 201 HB THR 25 HB THR 25 -4.128 -1.620 5.703 202 HG1 THR 25 HG1 THR 25 -5.626 -3.943 6.686 203 1HG2 THR 25 HG21 THR 25 -4.420 -2.644 3.549 204 2HG2 THR 25 HG22 THR 25 -5.064 -4.141 4.264 205 3HG2 THR 25 HG23 THR 25 -6.048 -2.657 4.267 206 H ALA 26 HN ALA 26 -1.255 -2.848 4.703 207 HA ALA 26 HA ALA 26 -1.645 -4.869 2.679 208 1HB ALA 26 HB1 ALA 26 -1.067 -2.689 1.894 209 2HB ALA 26 HB2 ALA 26 0.265 -2.540 3.064 210 3HB ALA 26 HB3 ALA 26 0.400 -3.678 1.702 211 H SER 27 HN SER 27 0.499 -4.132 5.445 212 HA SER 27 HA SER 27 2.171 -6.370 4.744 213 1HB SER 27 HB2 SER 27 2.854 -4.011 5.793 214 2HB SER 27 HB3 SER 27 2.464 -4.803 7.307 215 HG SER 27 HG SER 27 4.023 -6.442 6.844 216 H LYS 28 HN LYS 28 -0.446 -7.212 5.199 217 HA LYS 28 HA LYS 28 -0.064 -8.834 7.559 218 1HB LYS 28 HB2 LYS 28 -2.370 -8.285 8.403 219 2HB LYS 28 HB3 LYS 28 -1.169 -7.029 8.626 220 1HG LYS 28 HG2 LYS 28 -3.033 -5.843 7.777 221 2HG LYS 28 HG3 LYS 28 -2.020 -6.054 6.363 222 1HD LYS 28 HD2 LYS 28 -4.279 -6.636 5.713 223 2HD LYS 28 HD3 LYS 28 -3.361 -8.127 5.775 224 1HE LYS 28 HE2 LYS 28 -4.582 -7.456 8.380 225 2HE LYS 28 HE3 LYS 28 -5.777 -7.622 7.109 226 1HZ LYS 28 HZ1 LYS 28 -4.319 -9.627 8.385 227 2HZ LYS 28 HZ2 LYS 28 -5.527 -9.785 7.297 228 3HZ LYS 28 HZ3 LYS 28 -3.979 -9.680 6.788 229 H PHE 29 HN PHE 29 -0.139 -8.993 4.520 230 HA PHE 29 HA PHE 29 -2.358 -10.911 4.359 231 1HB PHE 29 HB2 PHE 29 -0.963 -9.186 2.223 232 2HB PHE 29 HB3 PHE 29 -2.249 -10.325 1.875 233 HD1 PHE 29 HD1 PHE 29 -1.989 -7.186 1.518 234 HD2 PHE 29 HD2 PHE 29 -4.003 -9.704 4.277 235 HE1 PHE 29 HE1 PHE 29 -3.691 -5.385 1.919 236 HE2 PHE 29 HE2 PHE 29 -5.705 -7.903 4.678 237 HZ PHE 29 HZ PHE 29 -5.529 -5.765 3.494 238 H ASN 30 HN ASN 30 -1.910 -12.979 3.587 239 HA ASN 30 HA ASN 30 0.745 -13.801 3.771 240 1HB ASN 30 HB2 ASN 30 -1.898 -15.037 3.056 241 2HB ASN 30 HB3 ASN 30 -0.485 -15.887 2.460 242 1HD2 ASN 30 HD21 ASN 30 -2.375 -16.757 4.427 243 2HD2 ASN 30 HD22 ASN 30 -1.530 -17.035 5.913 244 H SER 31 HN SER 31 -0.856 -12.071 1.360 245 HA SER 31 HA SER 31 0.510 -13.406 -0.817 246 1HB SER 31 HB2 SER 31 -1.730 -11.385 -0.627 247 2HB SER 31 HB3 SER 31 -0.816 -11.502 -2.118 248 HG SER 31 HG SER 31 -1.581 -14.001 -1.126 249 H ASP 32 HN ASP 32 1.245 -11.540 -2.585 250 HA ASP 32 HA ASP 32 3.209 -10.044 -1.101 251 1HB ASP 32 HB2 ASP 32 2.984 -11.242 -3.768 252 2HB ASP 32 HB3 ASP 32 3.520 -9.578 -3.885 253 H ILE 33 HN ILE 33 2.083 -8.170 -0.332 254 HA ILE 33 HA ILE 33 0.872 -6.514 -2.437 255 HB ILE 33 HB ILE 33 -0.701 -7.516 -0.752 256 1HG1 ILE 33 HG12 ILE 33 -0.879 -5.249 -2.101 257 2HG1 ILE 33 HG13 ILE 33 -2.094 -5.720 -0.929 258 1HG2 ILE 33 HG21 ILE 33 1.160 -6.155 1.076 259 2HG2 ILE 33 HG22 ILE 33 -0.561 -5.836 1.399 260 3HG2 ILE 33 HG23 ILE 33 0.042 -7.510 1.362 261 1HD1 ILE 33 HD11 ILE 33 -1.066 -3.297 -0.820 262 2HD1 ILE 33 HD12 ILE 33 -1.330 -4.195 0.694 263 3HD1 ILE 33 HD13 ILE 33 0.300 -4.107 -0.016 264 H ASN 34 HN ASN 34 1.810 -4.564 -2.789 265 HA ASN 34 HA ASN 34 3.394 -3.476 -0.620 266 1HB ASN 34 HB2 ASN 34 4.361 -3.606 -3.523 267 2HB ASN 34 HB3 ASN 34 5.252 -2.939 -2.169 268 1HD2 ASN 34 HD21 ASN 34 6.373 -4.848 -3.722 269 2HD2 ASN 34 HD22 ASN 34 6.531 -6.349 -2.872 270 H LEU 35 HN LEU 35 4.194 -1.095 -1.527 271 HA LEU 35 HA LEU 35 1.880 0.051 -2.932 272 1HB LEU 35 HB2 LEU 35 1.560 1.534 -1.325 273 2HB LEU 35 HB3 LEU 35 2.526 0.473 -0.318 274 HG LEU 35 HG LEU 35 4.547 1.798 -0.877 275 1HD1 LEU 35 HD11 LEU 35 3.604 4.219 -1.807 276 2HD1 LEU 35 HD12 LEU 35 4.485 2.998 -2.757 277 3HD1 LEU 35 HD13 LEU 35 2.705 3.033 -2.784 278 1HD2 LEU 35 HD21 LEU 35 2.178 3.135 0.420 279 2HD2 LEU 35 HD22 LEU 35 3.587 2.356 1.178 280 3HD2 LEU 35 HD23 LEU 35 3.774 3.920 0.349 281 H GLU 36 HN GLU 36 2.297 1.572 -4.554 282 HA GLU 36 HA GLU 36 5.131 2.009 -5.074 283 1HB GLU 36 HB2 GLU 36 4.299 0.289 -6.629 284 2HB GLU 36 HB3 GLU 36 2.964 1.319 -7.107 285 1HG GLU 36 HG2 GLU 36 4.520 2.979 -8.060 286 2HG GLU 36 HG3 GLU 36 5.901 2.077 -7.467 287 H TYR 37 HN TYR 37 5.583 4.162 -4.979 288 HA TYR 37 HA TYR 37 3.456 6.003 -5.848 289 1HB TYR 37 HB2 TYR 37 3.796 6.039 -3.384 290 2HB TYR 37 HB3 TYR 37 5.537 6.050 -3.581 291 HD1 TYR 37 HD1 TYR 37 5.633 8.020 -2.069 292 HD2 TYR 37 HD2 TYR 37 3.567 8.165 -5.813 293 HE1 TYR 37 HE1 TYR 37 5.624 10.561 -1.974 294 HE2 TYR 37 HE2 TYR 37 3.565 10.705 -5.705 295 HH TYR 37 HH TYR 37 5.465 12.441 -4.113 296 H LYS 38 HN LYS 38 4.014 7.256 -7.555 297 HA LYS 38 HA LYS 38 5.235 8.442 -8.967 298 1HB LYS 38 HB2 LYS 38 7.510 8.210 -6.975 299 2HB LYS 38 HB3 LYS 38 7.423 9.325 -8.324 300 1HG LYS 38 HG2 LYS 38 4.999 9.782 -7.012 301 2HG LYS 38 HG3 LYS 38 6.093 9.462 -5.680 302 1HD LYS 38 HD2 LYS 38 6.802 11.414 -7.911 303 2HD LYS 38 HD3 LYS 38 5.905 11.918 -6.492 304 1HE LYS 38 HE2 LYS 38 7.841 10.833 -5.109 305 2HE LYS 38 HE3 LYS 38 8.739 10.816 -6.614 306 1HZ LYS 38 HZ1 LYS 38 8.843 13.061 -6.656 307 2HZ LYS 38 HZ2 LYS 38 7.444 13.293 -5.845 308 3HZ LYS 38 HZ3 LYS 38 8.794 12.857 -5.036 309 H GLY 39 HN GLY 39 5.640 5.257 -8.157 310 1HA GLY 39 HA1 GLY 39 6.099 3.865 -10.135 311 2HA GLY 39 HA2 GLY 39 7.554 4.813 -10.372 312 H LYS 40 HN LYS 40 7.565 4.883 -7.157 313 HA LYS 40 HA LYS 40 9.340 2.623 -6.979 314 1HB LYS 40 HB2 LYS 40 9.300 5.141 -5.864 315 2HB LYS 40 HB3 LYS 40 8.752 4.146 -4.530 316 1HG LYS 40 HG2 LYS 40 11.146 3.253 -6.158 317 2HG LYS 40 HG3 LYS 40 11.351 4.505 -4.949 318 1HD LYS 40 HD2 LYS 40 10.350 1.659 -4.509 319 2HD LYS 40 HD3 LYS 40 11.821 2.376 -3.881 320 1HE LYS 40 HE2 LYS 40 8.960 2.861 -3.014 321 2HE LYS 40 HE3 LYS 40 10.353 2.468 -2.026 322 1HZ LYS 40 HZ1 LYS 40 9.608 4.819 -1.960 323 2HZ LYS 40 HZ2 LYS 40 11.191 4.624 -2.309 324 3HZ LYS 40 HZ3 LYS 40 10.133 4.996 -3.496 325 H SER 41 HN SER 41 8.410 0.639 -6.828 326 HA SER 41 HA SER 41 6.097 0.454 -5.067 327 1HB SER 41 HB2 SER 41 5.332 -1.380 -6.347 328 2HB SER 41 HB3 SER 41 5.970 -0.277 -7.550 329 HG SER 41 HG SER 41 6.860 -2.826 -6.808 330 H VAL 42 HN VAL 42 6.619 -0.270 -3.037 331 HA VAL 42 HA VAL 42 8.382 -2.568 -2.839 332 HB VAL 42 HB VAL 42 9.912 -1.608 -1.374 333 1HG1 VAL 42 HG11 VAL 42 10.751 0.461 -2.552 334 2HG1 VAL 42 HG12 VAL 42 10.452 -0.941 -3.607 335 3HG1 VAL 42 HG13 VAL 42 9.284 0.401 -3.557 336 1HG2 VAL 42 HG21 VAL 42 8.408 1.008 -1.227 337 2HG2 VAL 42 HG22 VAL 42 8.062 -0.335 -0.111 338 3HG2 VAL 42 HG23 VAL 42 9.688 0.388 -0.156 339 H ASN 43 HN ASN 43 8.007 -3.807 -0.919 340 HA ASN 43 HA ASN 43 5.486 -4.044 -0.127 341 1HB ASN 43 HB2 ASN 43 7.747 -4.398 1.890 342 2HB ASN 43 HB3 ASN 43 6.298 -5.370 1.724 343 1HD2 ASN 43 HD21 ASN 43 6.565 -7.256 0.832 344 2HD2 ASN 43 HD22 ASN 43 7.756 -7.712 -0.340 345 H LEU 44 HN LEU 44 4.555 -1.861 0.162 346 HA LEU 44 HA LEU 44 5.052 0.285 1.339 347 1HB LEU 44 HB2 LEU 44 2.881 -0.688 2.956 348 2HB LEU 44 HB3 LEU 44 2.880 0.491 1.660 349 HG LEU 44 HG LEU 44 2.794 -1.443 0.026 350 1HD1 LEU 44 HD11 LEU 44 3.625 -3.176 1.578 351 2HD1 LEU 44 HD12 LEU 44 2.109 -3.050 2.503 352 3HD1 LEU 44 HD13 LEU 44 2.078 -3.616 0.815 353 1HD2 LEU 44 HD21 LEU 44 0.821 -0.179 0.368 354 2HD2 LEU 44 HD22 LEU 44 0.346 -1.891 0.479 355 3HD2 LEU 44 HD23 LEU 44 0.530 -0.921 1.960 356 H LYS 45 HN LYS 45 5.044 -2.763 3.249 357 HA LYS 45 HA LYS 45 5.600 -1.536 5.710 358 1HB LYS 45 HB2 LYS 45 4.811 -3.978 5.021 359 2HB LYS 45 HB3 LYS 45 6.529 -4.315 5.092 360 1HG LYS 45 HG2 LYS 45 6.181 -2.850 7.414 361 2HG LYS 45 HG3 LYS 45 4.635 -3.666 7.297 362 1HD LYS 45 HD2 LYS 45 5.825 -5.309 8.422 363 2HD LYS 45 HD3 LYS 45 6.168 -5.803 6.776 364 1HE LYS 45 HE2 LYS 45 8.111 -3.803 7.449 365 2HE LYS 45 HE3 LYS 45 8.021 -4.890 8.820 366 1HZ LYS 45 HZ1 LYS 45 9.042 -6.436 7.654 367 2HZ LYS 45 HZ2 LYS 45 7.994 -6.331 6.405 368 3HZ LYS 45 HZ3 LYS 45 9.299 -5.351 6.461 369 H SER 46 HN SER 46 7.372 -1.427 2.899 370 HA SER 46 HA SER 46 9.927 -1.813 4.149 371 1HB SER 46 HB2 SER 46 9.427 -2.496 1.762 372 2HB SER 46 HB3 SER 46 9.272 -0.800 1.348 373 HG SER 46 HG SER 46 11.415 -0.545 1.396 374 H ILE 47 HN ILE 47 9.404 -0.046 5.795 375 HA ILE 47 HA ILE 47 8.867 2.533 5.319 376 HB ILE 47 HB ILE 47 9.769 1.056 7.432 377 1HG1 ILE 47 HG12 ILE 47 9.306 3.032 8.769 378 2HG1 ILE 47 HG13 ILE 47 9.480 4.073 7.370 379 1HG2 ILE 47 HG21 ILE 47 12.105 1.398 6.910 380 2HG2 ILE 47 HG22 ILE 47 11.867 3.161 6.840 381 3HG2 ILE 47 HG23 ILE 47 11.681 2.299 8.386 382 1HD1 ILE 47 HD11 ILE 47 7.099 2.904 8.260 383 2HD1 ILE 47 HD12 ILE 47 7.361 3.650 6.665 384 3HD1 ILE 47 HD13 ILE 47 7.566 1.894 6.871 385 H MET 48 HN MET 48 12.160 1.028 5.074 386 HA MET 48 HA MET 48 13.645 3.139 4.490 387 1HB MET 48 HB2 MET 48 14.665 1.395 2.656 388 2HB MET 48 HB3 MET 48 14.870 1.156 4.380 389 1HG MET 48 HG2 MET 48 13.268 -0.551 4.484 390 2HG MET 48 HG3 MET 48 12.349 0.076 3.130 391 1HE MET 48 HE1 MET 48 14.851 -0.637 0.181 392 2HE MET 48 HE2 MET 48 13.086 -0.572 0.405 393 3HE MET 48 HE3 MET 48 14.113 0.732 1.048 394 H GLY 49 HN GLY 49 12.404 1.149 1.717 395 1HA GLY 49 HA1 GLY 49 12.779 3.084 -0.229 396 2HA GLY 49 HA2 GLY 49 11.664 1.735 -0.322 397 H VAL 50 HN VAL 50 9.861 2.348 1.796 398 HA VAL 50 HA VAL 50 8.213 4.221 0.497 399 HB VAL 50 HB VAL 50 8.105 2.349 2.695 400 1HG1 VAL 50 HG11 VAL 50 6.336 3.539 4.003 401 2HG1 VAL 50 HG12 VAL 50 7.957 4.255 4.168 402 3HG1 VAL 50 HG13 VAL 50 6.744 5.030 3.121 403 1HG2 VAL 50 HG21 VAL 50 5.802 3.639 1.211 404 2HG2 VAL 50 HG22 VAL 50 6.827 2.375 0.491 405 3HG2 VAL 50 HG23 VAL 50 5.875 2.023 1.953 406 H MET 51 HN MET 51 10.172 4.340 3.544 407 HA MET 51 HA MET 51 9.499 6.703 4.522 408 1HB MET 51 HB2 MET 51 11.259 5.331 5.528 409 2HB MET 51 HB3 MET 51 12.278 5.486 4.111 410 1HG MET 51 HG2 MET 51 13.145 6.991 5.819 411 2HG MET 51 HG3 MET 51 12.446 7.974 4.548 412 1HE MET 51 HE1 MET 51 9.553 6.841 7.902 413 2HE MET 51 HE2 MET 51 9.663 6.130 6.273 414 3HE MET 51 HE3 MET 51 10.950 5.828 7.464 415 H SER 52 HN SER 52 12.118 6.322 2.018 416 HA SER 52 HA SER 52 12.434 9.045 1.650 417 1HB SER 52 HB2 SER 52 13.804 8.460 -0.228 418 2HB SER 52 HB3 SER 52 14.011 7.174 0.943 419 HG SER 52 HG SER 52 11.982 6.311 -0.467 420 H LEU 53 HN LEU 53 9.853 6.941 0.778 421 HA LEU 53 HA LEU 53 9.065 8.590 -1.492 422 1HB LEU 53 HB2 LEU 53 8.800 5.846 -0.789 423 2HB LEU 53 HB3 LEU 53 7.189 6.529 -0.875 424 HG LEU 53 HG LEU 53 9.277 6.398 -3.053 425 1HD1 LEU 53 HD11 LEU 53 8.067 4.398 -2.998 426 2HD1 LEU 53 HD12 LEU 53 6.530 5.224 -2.646 427 3HD1 LEU 53 HD13 LEU 53 7.264 5.361 -4.262 428 1HD2 LEU 53 HD21 LEU 53 7.437 8.526 -2.644 429 2HD2 LEU 53 HD22 LEU 53 8.509 8.230 -4.034 430 3HD2 LEU 53 HD23 LEU 53 6.858 7.564 -4.025 431 H GLY 54 HN GLY 54 6.772 7.028 0.736 432 1HA GLY 54 HA1 GLY 54 5.107 7.866 1.990 433 2HA GLY 54 HA2 GLY 54 6.189 9.180 2.405 434 H VAL 55 HN VAL 55 3.163 8.741 1.399 435 HA VAL 55 HA VAL 55 3.272 10.974 -0.510 436 HB VAL 55 HB VAL 55 0.815 9.720 -0.811 437 1HG1 VAL 55 HG11 VAL 55 2.822 10.615 -2.409 438 2HG1 VAL 55 HG12 VAL 55 2.968 8.858 -2.656 439 3HG1 VAL 55 HG13 VAL 55 1.424 9.678 -2.991 440 1HG2 VAL 55 HG21 VAL 55 2.894 7.530 -0.903 441 2HG2 VAL 55 HG22 VAL 55 1.907 7.823 0.549 442 3HG2 VAL 55 HG23 VAL 55 1.121 7.398 -0.991 443 H GLY 56 HN GLY 56 0.692 11.840 -0.494 444 1HA GLY 56 HA1 GLY 56 -0.770 11.947 1.800 445 2HA GLY 56 HA2 GLY 56 0.513 13.108 2.079 446 H GLN 57 HN GLN 57 0.645 15.046 0.822 447 HA GLN 57 HA GLN 57 -1.560 16.328 0.226 448 1HB GLN 57 HB2 GLN 57 -0.259 17.858 -1.090 449 2HB GLN 57 HB3 GLN 57 0.831 17.187 0.106 450 1HG GLN 57 HG2 GLN 57 1.204 15.360 -1.882 451 2HG GLN 57 HG3 GLN 57 0.757 16.743 -2.861 452 1HE2 GLN 57 HE21 GLN 57 3.157 15.903 -3.316 453 2HE2 GLN 57 HE22 GLN 57 4.397 16.876 -2.598 454 H GLY 58 HN GLY 58 -3.129 14.753 -0.609 455 1HA GLY 58 HA1 GLY 58 -4.230 13.611 -2.218 456 2HA GLY 58 HA2 GLY 58 -3.856 15.015 -3.197 457 H SER 59 HN SER 59 -0.952 13.536 -2.145 458 HA SER 59 HA SER 59 0.038 13.012 -4.552 459 1HB SER 59 HB2 SER 59 0.552 11.203 -2.154 460 2HB SER 59 HB3 SER 59 1.658 11.546 -3.469 461 HG SER 59 HG SER 59 2.158 13.488 -2.621 462 H ASP 60 HN ASP 60 0.608 10.773 -5.570 463 HA ASP 60 HA ASP 60 -1.729 9.045 -5.337 464 1HB ASP 60 HB2 ASP 60 -1.741 8.710 -7.718 465 2HB ASP 60 HB3 ASP 60 -1.638 10.441 -7.469 466 H VAL 61 HN VAL 61 -1.248 6.742 -5.550 467 HA VAL 61 HA VAL 61 1.517 6.002 -6.019 468 HB VAL 61 HB VAL 61 1.646 4.711 -3.951 469 1HG1 VAL 61 HG11 VAL 61 2.242 6.488 -2.530 470 2HG1 VAL 61 HG12 VAL 61 2.406 7.160 -4.171 471 3HG1 VAL 61 HG13 VAL 61 0.978 7.557 -3.185 472 1HG2 VAL 61 HG21 VAL 61 -0.988 4.690 -3.788 473 2HG2 VAL 61 HG22 VAL 61 0.018 4.609 -2.322 474 3HG2 VAL 61 HG23 VAL 61 -0.725 6.152 -2.808 475 H THR 62 HN THR 62 1.562 3.391 -5.714 476 HA THR 62 HA THR 62 -0.959 2.322 -6.766 477 HB THR 62 HB THR 62 1.727 2.520 -8.105 478 HG1 THR 62 HG1 THR 62 -0.047 3.594 -9.049 479 1HG2 THR 62 HG21 THR 62 -0.003 0.029 -8.030 480 2HG2 THR 62 HG22 THR 62 0.760 0.510 -9.564 481 3HG2 THR 62 HG23 THR 62 1.769 0.155 -8.141 482 H ILE 63 HN ILE 63 -1.582 0.462 -5.836 483 HA ILE 63 HA ILE 63 0.369 -0.760 -4.029 484 HB ILE 63 HB ILE 63 -2.236 0.093 -3.645 485 1HG1 ILE 63 HG12 ILE 63 -1.760 -1.624 -1.546 486 2HG1 ILE 63 HG13 ILE 63 -0.140 -1.336 -2.151 487 1HG2 ILE 63 HG21 ILE 63 -2.838 -2.065 -4.930 488 2HG2 ILE 63 HG22 ILE 63 -2.333 -2.909 -3.447 489 3HG2 ILE 63 HG23 ILE 63 -3.662 -1.727 -3.389 490 1HD1 ILE 63 HD11 ILE 63 -1.001 0.328 -0.394 491 2HD1 ILE 63 HD12 ILE 63 -0.344 1.047 -1.884 492 3HD1 ILE 63 HD13 ILE 63 -2.105 0.937 -1.650 493 H THR 64 HN THR 64 0.451 -3.142 -3.907 494 HA THR 64 HA THR 64 -0.518 -4.473 -6.328 495 HB THR 64 HB THR 64 2.322 -4.917 -5.354 496 HG1 THR 64 HG1 THR 64 1.427 -2.994 -7.365 497 1HG2 THR 64 HG21 THR 64 2.329 -6.207 -7.240 498 2HG2 THR 64 HG22 THR 64 0.678 -5.681 -7.646 499 3HG2 THR 64 HG23 THR 64 2.076 -4.723 -8.190 500 H VAL 65 HN VAL 65 -0.966 -6.675 -6.103 501 HA VAL 65 HA VAL 65 -0.448 -7.841 -3.490 502 HB VAL 65 HB VAL 65 -2.709 -6.567 -3.625 503 1HG1 VAL 65 HG11 VAL 65 -3.044 -8.492 -5.737 504 2HG1 VAL 65 HG12 VAL 65 -4.232 -8.812 -4.451 505 3HG1 VAL 65 HG13 VAL 65 -4.148 -7.201 -5.204 506 1HG2 VAL 65 HG21 VAL 65 -2.603 -7.714 -1.677 507 2HG2 VAL 65 HG22 VAL 65 -3.752 -8.804 -2.489 508 3HG2 VAL 65 HG23 VAL 65 -2.017 -9.202 -2.459 509 H ASP 66 HN ASP 66 0.317 -9.871 -3.777 510 HA ASP 66 HA ASP 66 -0.673 -11.320 -6.084 511 1HB ASP 66 HB2 ASP 66 2.197 -11.776 -5.475 512 2HB ASP 66 HB3 ASP 66 1.397 -11.657 -7.029 513 H GLY 67 HN GLY 67 -1.143 -13.470 -5.498 514 1HA GLY 67 HA1 GLY 67 -0.135 -15.404 -4.246 515 2HA GLY 67 HA2 GLY 67 -0.181 -14.352 -2.845 516 H ALA 68 HN ALA 68 -1.629 -15.794 -1.719 517 HA ALA 68 HA ALA 68 -4.155 -16.438 -2.906 518 1HB ALA 68 HB1 ALA 68 -4.174 -16.863 -0.091 519 2HB ALA 68 HB2 ALA 68 -3.947 -18.070 -1.379 520 3HB ALA 68 HB3 ALA 68 -2.535 -17.257 -0.662 521 H ASP 69 HN ASP 69 -3.049 -14.379 -0.119 522 HA ASP 69 HA ASP 69 -5.497 -13.360 0.496 523 1HB ASP 69 HB2 ASP 69 -2.655 -12.545 0.860 524 2HB ASP 69 HB3 ASP 69 -3.797 -11.221 0.973 525 H GLU 70 HN GLU 70 -3.245 -12.631 -2.155 526 HA GLU 70 HA GLU 70 -3.372 -10.360 -3.106 527 1HB GLU 70 HB2 GLU 70 -4.089 -11.140 -5.376 528 2HB GLU 70 HB3 GLU 70 -2.961 -12.235 -4.602 529 1HG GLU 70 HG2 GLU 70 -4.530 -13.805 -5.234 530 2HG GLU 70 HG3 GLU 70 -5.253 -13.356 -3.702 531 H ALA 71 HN ALA 71 -6.504 -12.213 -3.311 532 HA ALA 71 HA ALA 71 -8.040 -9.999 -4.028 533 1HB ALA 71 HB1 ALA 71 -8.462 -12.783 -3.071 534 2HB ALA 71 HB2 ALA 71 -9.815 -11.660 -2.796 535 3HB ALA 71 HB3 ALA 71 -9.196 -11.920 -4.444 536 H GLU 72 HN GLU 72 -8.081 -11.713 -0.820 537 HA GLU 72 HA GLU 72 -9.389 -9.709 0.492 538 1HB GLU 72 HB2 GLU 72 -9.349 -11.436 1.954 539 2HB GLU 72 HB3 GLU 72 -7.952 -12.152 1.174 540 1HG GLU 72 HG2 GLU 72 -7.324 -11.621 3.459 541 2HG GLU 72 HG3 GLU 72 -6.471 -10.512 2.404 542 H GLY 73 HN GLY 73 -5.830 -10.274 0.132 543 1HA GLY 73 HA1 GLY 73 -4.803 -8.353 1.768 544 2HA GLY 73 HA2 GLY 73 -4.108 -8.823 0.229 545 H MET 74 HN MET 74 -5.012 -7.735 -1.790 546 HA MET 74 HA MET 74 -4.845 -5.013 -1.512 547 1HB MET 74 HB2 MET 74 -5.682 -5.004 -3.905 548 2HB MET 74 HB3 MET 74 -4.424 -6.195 -3.640 549 1HG MET 74 HG2 MET 74 -5.853 -7.740 -4.508 550 2HG MET 74 HG3 MET 74 -6.771 -7.608 -3.021 551 1HE MET 74 HE1 MET 74 -8.972 -8.320 -4.310 552 2HE MET 74 HE2 MET 74 -9.142 -7.116 -3.010 553 3HE MET 74 HE3 MET 74 -10.050 -6.920 -4.528 554 H ALA 75 HN ALA 75 -7.670 -7.188 -1.410 555 HA ALA 75 HA ALA 75 -9.727 -5.484 -1.916 556 1HB ALA 75 HB1 ALA 75 -10.855 -6.938 -0.011 557 2HB ALA 75 HB2 ALA 75 -10.340 -7.693 -1.539 558 3HB ALA 75 HB3 ALA 75 -9.322 -7.839 -0.086 559 H ALA 76 HN ALA 76 -8.012 -5.974 1.246 560 HA ALA 76 HA ALA 76 -9.517 -4.016 2.595 561 1HB ALA 76 HB1 ALA 76 -7.497 -5.936 3.158 562 2HB ALA 76 HB2 ALA 76 -6.868 -4.361 3.695 563 3HB ALA 76 HB3 ALA 76 -8.425 -4.955 4.318 564 H ILE 77 HN ILE 77 -6.115 -3.958 1.299 565 HA ILE 77 HA ILE 77 -5.528 -1.364 1.827 566 HB ILE 77 HB ILE 77 -4.618 -3.438 0.009 567 1HG1 ILE 77 HG12 ILE 77 -3.339 -3.047 1.930 568 2HG1 ILE 77 HG13 ILE 77 -2.399 -2.342 0.630 569 1HG2 ILE 77 HG21 ILE 77 -4.054 -0.591 -0.849 570 2HG2 ILE 77 HG22 ILE 77 -3.494 -2.096 -1.617 571 3HG2 ILE 77 HG23 ILE 77 -5.222 -1.667 -1.654 572 1HD1 ILE 77 HD11 ILE 77 -4.050 -0.224 1.414 573 2HD1 ILE 77 HD12 ILE 77 -3.653 -1.033 2.950 574 3HD1 ILE 77 HD13 ILE 77 -2.349 -0.449 1.888 575 H VAL 78 HN VAL 78 -7.077 -2.603 -1.221 576 HA VAL 78 HA VAL 78 -7.473 -0.170 -2.418 577 HB VAL 78 HB VAL 78 -9.392 -2.500 -2.504 578 1HG1 VAL 78 HG11 VAL 78 -8.783 -1.297 -5.047 579 2HG1 VAL 78 HG12 VAL 78 -10.347 -1.421 -4.204 580 3HG1 VAL 78 HG13 VAL 78 -9.276 -0.033 -3.895 581 1HG2 VAL 78 HG21 VAL 78 -7.441 -2.652 -4.591 582 2HG2 VAL 78 HG22 VAL 78 -6.588 -2.539 -3.033 583 3HG2 VAL 78 HG23 VAL 78 -7.787 -3.827 -3.298 584 H GLU 79 HN GLU 79 -9.875 -1.995 -0.379 585 HA GLU 79 HA GLU 79 -11.737 0.008 -0.330 586 1HB GLU 79 HB2 GLU 79 -11.183 -2.471 1.152 587 2HB GLU 79 HB3 GLU 79 -11.971 -1.274 2.160 588 1HG GLU 79 HG2 GLU 79 -13.250 -1.272 -0.442 589 2HG GLU 79 HG3 GLU 79 -13.150 -2.926 0.127 590 H THR 80 HN THR 80 -9.050 -0.688 2.005 591 HA THR 80 HA THR 80 -9.627 1.384 3.781 592 HB THR 80 HB THR 80 -7.610 -0.641 3.311 593 HG1 THR 80 HG1 THR 80 -8.004 1.268 5.498 594 1HG2 THR 80 HG21 THR 80 -5.828 0.877 4.594 595 2HG2 THR 80 HG22 THR 80 -5.856 0.863 2.814 596 3HG2 THR 80 HG23 THR 80 -6.623 2.199 3.706 597 H LEU 81 HN LEU 81 -7.545 1.338 0.831 598 HA LEU 81 HA LEU 81 -6.448 3.819 1.052 599 1HB LEU 81 HB2 LEU 81 -7.300 2.131 -1.268 600 2HB LEU 81 HB3 LEU 81 -6.693 3.749 -1.554 601 HG LEU 81 HG LEU 81 -5.202 1.412 -1.299 602 1HD1 LEU 81 HD11 LEU 81 -3.396 2.739 -1.883 603 2HD1 LEU 81 HD12 LEU 81 -4.781 3.706 -2.444 604 3HD1 LEU 81 HD13 LEU 81 -3.963 4.124 -0.920 605 1HD2 LEU 81 HD21 LEU 81 -5.557 1.638 1.190 606 2HD2 LEU 81 HD22 LEU 81 -3.862 1.569 0.651 607 3HD2 LEU 81 HD23 LEU 81 -4.587 3.128 1.113 608 H GLN 82 HN GLN 82 -9.717 2.933 -0.210 609 HA GLN 82 HA GLN 82 -10.297 5.758 -0.419 610 1HB GLN 82 HB2 GLN 82 -12.341 3.657 -1.080 611 2HB GLN 82 HB3 GLN 82 -12.019 5.184 -1.877 612 1HG GLN 82 HG2 GLN 82 -10.697 4.145 -3.394 613 2HG GLN 82 HG3 GLN 82 -9.641 3.578 -2.115 614 1HE2 GLN 82 HE21 GLN 82 -10.246 2.181 -4.478 615 2HE2 GLN 82 HE22 GLN 82 -11.074 0.712 -4.083 616 H LYS 83 HN LYS 83 -10.515 3.197 1.834 617 HA LYS 83 HA LYS 83 -12.990 4.078 3.025 618 1HB LYS 83 HB2 LYS 83 -12.993 1.955 3.682 619 2HB LYS 83 HB3 LYS 83 -11.368 1.719 3.071 620 1HG LYS 83 HG2 LYS 83 -10.402 2.559 5.182 621 2HG LYS 83 HG3 LYS 83 -11.995 2.960 5.791 622 1HD LYS 83 HD2 LYS 83 -10.783 0.636 6.409 623 2HD LYS 83 HD3 LYS 83 -12.526 0.760 6.272 624 1HE LYS 83 HE2 LYS 83 -12.328 0.068 3.835 625 2HE LYS 83 HE3 LYS 83 -10.611 -0.178 4.083 626 1HZ LYS 83 HZ1 LYS 83 -12.750 -1.852 4.806 627 2HZ LYS 83 HZ2 LYS 83 -11.150 -2.179 4.788 628 3HZ LYS 83 HZ3 LYS 83 -11.834 -1.519 6.116 629 H GLU 84 HN GLU 84 -9.449 4.343 3.565 630 HA GLU 84 HA GLU 84 -10.002 5.954 5.905 631 1HB GLU 84 HB2 GLU 84 -7.222 5.315 4.903 632 2HB GLU 84 HB3 GLU 84 -7.760 5.590 6.548 633 1HG GLU 84 HG2 GLU 84 -8.648 3.187 4.888 634 2HG GLU 84 HG3 GLU 84 -7.252 3.152 5.947 635 H GLY 85 HN GLY 85 -10.405 6.675 2.896 636 1HA GLY 85 HA1 GLY 85 -10.094 8.444 1.541 637 2HA GLY 85 HA2 GLY 85 -9.946 9.374 3.019 638 H LEU 86 HN LEU 86 -7.609 6.795 2.584 639 HA LEU 86 HA LEU 86 -5.509 8.747 2.427 640 1HB LEU 86 HB2 LEU 86 -5.837 6.006 3.257 641 2HB LEU 86 HB3 LEU 86 -4.476 6.142 2.161 642 HG LEU 86 HG LEU 86 -4.853 7.793 4.676 643 1HD1 LEU 86 HD11 LEU 86 -2.576 6.085 4.810 644 2HD1 LEU 86 HD12 LEU 86 -4.030 6.095 5.837 645 3HD1 LEU 86 HD13 LEU 86 -3.988 5.096 4.365 646 1HD2 LEU 86 HD21 LEU 86 -3.213 8.236 2.406 647 2HD2 LEU 86 HD22 LEU 86 -3.224 9.111 3.956 648 3HD2 LEU 86 HD23 LEU 86 -2.151 7.708 3.734 649 H ALA 87 HN ALA 87 -7.391 6.754 0.245 650 HA ALA 87 HA ALA 87 -5.977 7.910 -1.978 651 1HB ALA 87 HB1 ALA 87 -4.578 6.154 -2.238 652 2HB ALA 87 HB2 ALA 87 -5.474 5.160 -1.064 653 3HB ALA 87 HB3 ALA 87 -6.016 5.243 -2.758 654 H GLU 88 HN GLU 88 -7.165 7.496 -4.040 655 HA GLU 88 HA GLU 88 -9.974 7.214 -3.410 656 1HB GLU 88 HB2 GLU 88 -10.205 8.120 -5.825 657 2HB GLU 88 HB3 GLU 88 -9.581 9.215 -4.608 658 1HG GLU 88 HG2 GLU 88 -7.455 9.248 -5.516 659 2HG GLU 88 HG3 GLU 88 -7.516 7.565 -6.002 660 H GLN 89 HN GLN 89 -11.139 6.372 -5.739 661 HA GLN 89 HA GLN 89 -10.384 3.631 -5.736 662 1HB GLN 89 HB2 GLN 89 -12.775 4.807 -5.930 663 2HB GLN 89 HB3 GLN 89 -12.423 4.768 -7.646 664 1HG GLN 89 HG2 GLN 89 -11.886 2.262 -7.356 665 2HG GLN 89 HG3 GLN 89 -12.551 2.391 -5.740 666 1HE2 GLN 89 HE21 GLN 89 -13.906 0.680 -6.866 667 2HE2 GLN 89 HE22 GLN 89 -15.385 1.200 -7.602 Start of MODEL 4 1 H MET 1 HN MET 1 -1.646 -12.827 -7.331 2 HA MET 1 HA MET 1 0.272 -11.643 -8.809 3 1HB MET 1 HB2 MET 1 -2.105 -13.422 -9.480 4 2HB MET 1 HB3 MET 1 -1.067 -12.872 -10.780 5 1HG MET 1 HG2 MET 1 0.848 -13.725 -9.030 6 2HG MET 1 HG3 MET 1 -0.463 -14.783 -8.546 7 1HE MET 1 HE1 MET 1 1.109 -17.365 -10.387 8 2HE MET 1 HE2 MET 1 0.313 -16.690 -8.945 9 3HE MET 1 HE3 MET 1 -0.667 -17.348 -10.277 10 H GLU 2 HN GLU 2 -2.113 -9.818 -7.889 11 HA GLU 2 HA GLU 2 -2.306 -8.477 -10.465 12 1HB GLU 2 HB2 GLU 2 -4.599 -8.369 -8.493 13 2HB GLU 2 HB3 GLU 2 -4.615 -8.031 -10.213 14 1HG GLU 2 HG2 GLU 2 -3.946 -10.561 -10.491 15 2HG GLU 2 HG3 GLU 2 -4.476 -10.732 -8.830 16 H LYS 3 HN LYS 3 -2.458 -6.118 -10.332 17 HA LYS 3 HA LYS 3 -1.599 -5.117 -7.706 18 1HB LYS 3 HB2 LYS 3 0.187 -4.171 -8.640 19 2HB LYS 3 HB3 LYS 3 -0.147 -5.115 -10.078 20 1HG LYS 3 HG2 LYS 3 -1.823 -3.166 -10.680 21 2HG LYS 3 HG3 LYS 3 -0.930 -2.243 -9.488 22 1HD LYS 3 HD2 LYS 3 0.071 -1.827 -11.669 23 2HD LYS 3 HD3 LYS 3 1.206 -2.769 -10.722 24 1HE LYS 3 HE2 LYS 3 0.860 -4.724 -11.981 25 2HE LYS 3 HE3 LYS 3 -0.763 -4.263 -12.455 26 1HZ LYS 3 HZ1 LYS 3 1.472 -2.644 -13.371 27 2HZ LYS 3 HZ2 LYS 3 1.178 -4.070 -14.111 28 3HZ LYS 3 HZ3 LYS 3 0.028 -2.910 -14.087 29 H LYS 4 HN LYS 4 -2.202 -2.800 -7.298 30 HA LYS 4 HA LYS 4 -4.471 -1.890 -8.864 31 1HB LYS 4 HB2 LYS 4 -5.375 -3.413 -7.084 32 2HB LYS 4 HB3 LYS 4 -4.711 -2.332 -5.875 33 1HG LYS 4 HG2 LYS 4 -7.009 -1.675 -6.179 34 2HG LYS 4 HG3 LYS 4 -6.038 -0.435 -6.946 35 1HD LYS 4 HD2 LYS 4 -6.364 -1.623 -9.165 36 2HD LYS 4 HD3 LYS 4 -7.438 -2.751 -8.362 37 1HE LYS 4 HE2 LYS 4 -8.993 -0.947 -7.764 38 2HE LYS 4 HE3 LYS 4 -7.876 0.271 -8.348 39 1HZ LYS 4 HZ1 LYS 4 -8.319 -0.257 -10.493 40 2HZ LYS 4 HZ2 LYS 4 -8.710 -1.813 -10.188 41 3HZ LYS 4 HZ3 LYS 4 -9.771 -0.621 -9.842 42 H GLU 5 HN GLU 5 -3.955 0.158 -9.395 43 HA GLU 5 HA GLU 5 -2.109 1.554 -7.694 44 1HB GLU 5 HB2 GLU 5 -3.384 2.489 -10.300 45 2HB GLU 5 HB3 GLU 5 -1.974 3.178 -9.520 46 1HG GLU 5 HG2 GLU 5 -0.743 1.777 -10.824 47 2HG GLU 5 HG3 GLU 5 -1.257 0.496 -9.745 48 H PHE 6 HN PHE 6 -2.531 3.661 -6.752 49 HA PHE 6 HA PHE 6 -5.289 4.555 -6.805 50 1HB PHE 6 HB2 PHE 6 -3.687 3.915 -4.256 51 2HB PHE 6 HB3 PHE 6 -5.325 4.536 -4.290 52 HD1 PHE 6 HD1 PHE 6 -7.191 3.084 -4.670 53 HD2 PHE 6 HD2 PHE 6 -3.232 1.583 -4.955 54 HE1 PHE 6 HE1 PHE 6 -8.080 0.737 -4.665 55 HE2 PHE 6 HE2 PHE 6 -4.121 -0.764 -4.949 56 HZ PHE 6 HZ PHE 6 -6.535 -1.159 -4.805 57 H HIS 7 HN HIS 7 -5.336 6.571 -5.056 58 HA HIS 7 HA HIS 7 -2.835 8.017 -5.232 59 1HB HIS 7 HB2 HIS 7 -3.513 9.008 -7.137 60 2HB HIS 7 HB3 HIS 7 -5.193 8.571 -6.902 61 HD1 HIS 7 HD1 HIS 7 -3.288 11.482 -7.262 62 HD2 HIS 7 HD2 HIS 7 -6.189 10.315 -4.466 63 HE1 HIS 7 HE1 HIS 7 -4.187 13.633 -6.225 64 H ILE 8 HN ILE 8 -2.499 9.273 -3.428 65 HA ILE 8 HA ILE 8 -4.200 8.936 -1.241 66 HB ILE 8 HB ILE 8 -2.005 10.953 -1.728 67 1HG1 ILE 8 HG12 ILE 8 -0.844 9.003 -1.902 68 2HG1 ILE 8 HG13 ILE 8 -0.837 9.169 -0.157 69 1HG2 ILE 8 HG21 ILE 8 -3.361 10.079 0.836 70 2HG2 ILE 8 HG22 ILE 8 -1.860 11.032 0.751 71 3HG2 ILE 8 HG23 ILE 8 -3.377 11.701 0.103 72 1HD1 ILE 8 HD11 ILE 8 -2.720 7.634 0.074 73 2HD1 ILE 8 HD12 ILE 8 -2.951 7.589 -1.690 74 3HD1 ILE 8 HD13 ILE 8 -1.495 6.865 -0.965 75 H VAL 9 HN VAL 9 -6.009 9.981 -0.571 76 HA VAL 9 HA VAL 9 -6.592 12.545 -1.879 77 HB VAL 9 HB VAL 9 -9.008 11.811 -1.725 78 1HG1 VAL 9 HG11 VAL 9 -7.238 11.645 -3.752 79 2HG1 VAL 9 HG12 VAL 9 -7.690 9.929 -3.616 80 3HG1 VAL 9 HG13 VAL 9 -8.943 11.160 -3.903 81 1HG2 VAL 9 HG21 VAL 9 -8.999 9.976 -0.255 82 2HG2 VAL 9 HG22 VAL 9 -9.254 9.250 -1.861 83 3HG2 VAL 9 HG23 VAL 9 -7.646 9.187 -1.100 84 H ALA 10 HN ALA 10 -5.511 11.270 0.872 85 HA ALA 10 HA ALA 10 -7.448 12.521 2.650 86 1HB ALA 10 HB1 ALA 10 -5.681 11.556 4.348 87 2HB ALA 10 HB2 ALA 10 -6.792 10.451 3.504 88 3HB ALA 10 HB3 ALA 10 -5.115 10.631 2.937 89 H GLU 11 HN GLU 11 -4.636 13.295 0.843 90 HA GLU 11 HA GLU 11 -3.129 14.873 0.954 91 1HB GLU 11 HB2 GLU 11 -3.988 17.132 1.312 92 2HB GLU 11 HB3 GLU 11 -5.203 16.178 0.486 93 1HG GLU 11 HG2 GLU 11 -6.499 15.889 2.503 94 2HG GLU 11 HG3 GLU 11 -5.188 16.457 3.518 95 H THR 12 HN THR 12 -3.653 13.145 3.508 96 HA THR 12 HA THR 12 -2.938 14.809 5.699 97 HB THR 12 HB THR 12 -3.542 11.970 5.104 98 HG1 THR 12 HG1 THR 12 -4.656 12.401 7.072 99 1HG2 THR 12 HG21 THR 12 -1.266 12.721 6.934 100 2HG2 THR 12 HG22 THR 12 -2.462 11.559 7.556 101 3HG2 THR 12 HG23 THR 12 -1.558 11.194 6.067 102 H GLY 13 HN GLY 13 -0.991 12.029 4.471 103 1HA GLY 13 HA1 GLY 13 1.229 13.152 3.521 104 2HA GLY 13 HA2 GLY 13 1.420 13.467 5.234 105 H ILE 14 HN ILE 14 -0.473 10.634 4.545 106 HA ILE 14 HA ILE 14 -0.076 8.536 5.227 107 HB ILE 14 HB ILE 14 1.859 9.088 3.003 108 1HG1 ILE 14 HG12 ILE 14 0.251 8.227 1.612 109 2HG1 ILE 14 HG13 ILE 14 -0.429 7.177 2.840 110 1HG2 ILE 14 HG21 ILE 14 2.019 6.868 4.818 111 2HG2 ILE 14 HG22 ILE 14 1.514 6.291 3.213 112 3HG2 ILE 14 HG23 ILE 14 3.013 7.235 3.388 113 1HD1 ILE 14 HD11 ILE 14 -1.429 9.127 3.998 114 2HD1 ILE 14 HD12 ILE 14 -0.699 10.219 2.797 115 3HD1 ILE 14 HD13 ILE 14 -1.959 9.064 2.300 116 H HIS 15 HN HIS 15 0.588 9.510 7.412 117 HA HIS 15 HA HIS 15 3.440 9.139 7.878 118 1HB HIS 15 HB2 HIS 15 2.674 10.116 10.193 119 2HB HIS 15 HB3 HIS 15 2.936 11.159 8.810 120 HD2 HIS 15 HD2 HIS 15 0.646 12.443 7.809 121 HE1 HIS 15 HE1 HIS 15 -2.059 10.893 10.705 122 HE2 HIS 15 HE2 HIS 15 -1.689 12.618 8.812 123 H ALA 16 HN ALA 16 3.691 8.298 10.406 124 HA ALA 16 HA ALA 16 3.419 5.639 10.384 125 1HB ALA 16 HB1 ALA 16 3.059 7.434 12.818 126 2HB ALA 16 HB2 ALA 16 3.605 5.740 12.826 127 3HB ALA 16 HB3 ALA 16 4.622 6.998 12.084 128 H ARG 17 HN ARG 17 0.878 8.039 11.152 129 HA ARG 17 HA ARG 17 -0.922 6.179 12.178 130 1HB ARG 17 HB2 ARG 17 -0.960 9.020 11.292 131 2HB ARG 17 HB3 ARG 17 -2.505 8.213 11.114 132 1HG ARG 17 HG2 ARG 17 -2.419 9.207 13.338 133 2HG ARG 17 HG3 ARG 17 -2.366 7.464 13.516 134 1HD ARG 17 HD2 ARG 17 -0.481 7.751 14.758 135 2HD ARG 17 HD3 ARG 17 0.346 8.166 13.270 136 HE ARG 17 HE ARG 17 -0.775 10.564 13.912 137 1HH1 ARG 17 HH22 ARG 17 1.013 8.254 15.874 138 2HH1 ARG 17 HH21 ARG 17 1.653 9.460 16.940 139 1HH2 ARG 17 HH12 ARG 17 0.069 12.156 15.317 140 2HH2 ARG 17 HH11 ARG 17 1.113 11.695 16.621 141 HA PRO 18 HA PRO 18 -2.860 6.097 7.877 142 1HB PRO 18 HB2 PRO 18 -2.111 7.860 5.928 143 2HB PRO 18 HB3 PRO 18 -3.453 8.149 7.017 144 1HG PRO 18 HG2 PRO 18 -0.757 9.361 7.038 145 2HG PRO 18 HG3 PRO 18 -2.220 9.924 7.822 146 1HD PRO 18 HD2 PRO 18 -0.007 8.596 9.072 147 2HD PRO 18 HD3 PRO 18 -1.518 9.055 9.831 148 H ALA 19 HN ALA 19 0.535 6.714 7.914 149 HA ALA 19 HA ALA 19 1.177 5.359 5.558 150 1HB ALA 19 HB1 ALA 19 3.426 5.391 6.426 151 2HB ALA 19 HB2 ALA 19 2.637 6.903 6.933 152 3HB ALA 19 HB3 ALA 19 2.839 5.571 8.097 153 H THR 20 HN THR 20 0.880 4.252 8.994 154 HA THR 20 HA THR 20 1.520 1.549 8.313 155 HB THR 20 HB THR 20 0.071 2.326 10.843 156 HG1 THR 20 HG1 THR 20 2.727 3.143 9.896 157 1HG2 THR 20 HG21 THR 20 1.253 0.549 11.667 158 2HG2 THR 20 HG22 THR 20 1.779 0.210 10.001 159 3HG2 THR 20 HG23 THR 20 2.780 1.233 11.059 160 H LEU 21 HN LEU 21 -1.490 3.446 8.781 161 HA LEU 21 HA LEU 21 -3.354 1.538 8.980 162 1HB LEU 21 HB2 LEU 21 -3.584 4.060 8.769 163 2HB LEU 21 HB3 LEU 21 -3.597 3.826 7.032 164 HG LEU 21 HG LEU 21 -5.617 2.792 9.035 165 1HD1 LEU 21 HD11 LEU 21 -5.970 4.683 6.695 166 2HD1 LEU 21 HD12 LEU 21 -7.185 4.230 7.915 167 3HD1 LEU 21 HD13 LEU 21 -5.762 5.189 8.389 168 1HD2 LEU 21 HD21 LEU 21 -6.834 1.857 7.088 169 2HD2 LEU 21 HD22 LEU 21 -5.419 2.210 6.068 170 3HD2 LEU 21 HD23 LEU 21 -5.283 1.044 7.406 171 H LEU 22 HN LEU 22 -1.954 2.658 5.816 172 HA LEU 22 HA LEU 22 -3.242 0.589 4.380 173 1HB LEU 22 HB2 LEU 22 -1.602 1.327 2.582 174 2HB LEU 22 HB3 LEU 22 -2.788 2.485 3.150 175 HG LEU 22 HG LEU 22 -0.408 2.774 4.729 176 1HD1 LEU 22 HD11 LEU 22 1.339 2.888 3.306 177 2HD1 LEU 22 HD12 LEU 22 0.380 1.709 2.380 178 3HD1 LEU 22 HD13 LEU 22 0.338 3.432 1.939 179 1HD2 LEU 22 HD21 LEU 22 -0.587 5.047 4.133 180 2HD2 LEU 22 HD22 LEU 22 -1.444 4.671 2.619 181 3HD2 LEU 22 HD23 LEU 22 -2.257 4.434 4.185 182 H VAL 23 HN VAL 23 0.288 1.140 5.072 183 HA VAL 23 HA VAL 23 1.205 -1.274 4.234 184 HB VAL 23 HB VAL 23 2.653 0.519 4.866 185 1HG1 VAL 23 HG11 VAL 23 2.284 0.141 7.802 186 2HG1 VAL 23 HG12 VAL 23 2.713 1.599 6.876 187 3HG1 VAL 23 HG13 VAL 23 1.023 1.043 6.929 188 1HG2 VAL 23 HG21 VAL 23 3.797 -1.533 4.974 189 2HG2 VAL 23 HG22 VAL 23 4.207 -0.719 6.503 190 3HG2 VAL 23 HG23 VAL 23 2.984 -2.013 6.483 191 H GLN 24 HN GLN 24 -0.011 -0.444 7.552 192 HA GLN 24 HA GLN 24 0.391 -2.864 8.700 193 1HB GLN 24 HB2 GLN 24 -1.174 -2.181 10.372 194 2HB GLN 24 HB3 GLN 24 -0.461 -0.700 9.762 195 1HG GLN 24 HG2 GLN 24 -2.426 0.015 8.792 196 2HG GLN 24 HG3 GLN 24 -2.886 -1.597 8.280 197 1HE2 GLN 24 HE21 GLN 24 -2.251 0.142 11.330 198 2HE2 GLN 24 HE22 GLN 24 -3.653 -0.404 12.189 199 H THR 25 HN THR 25 -2.258 -1.809 6.520 200 HA THR 25 HA THR 25 -3.655 -4.325 6.846 201 HB THR 25 HB THR 25 -4.138 -1.612 5.751 202 HG1 THR 25 HG1 THR 25 -6.304 -2.439 6.457 203 1HG2 THR 25 HG21 THR 25 -5.291 -4.094 4.371 204 2HG2 THR 25 HG22 THR 25 -5.956 -2.451 4.212 205 3HG2 THR 25 HG23 THR 25 -4.327 -2.816 3.592 206 H ALA 26 HN ALA 26 -1.267 -2.855 4.698 207 HA ALA 26 HA ALA 26 -1.696 -4.871 2.674 208 1HB ALA 26 HB1 ALA 26 -1.126 -2.701 1.870 209 2HB ALA 26 HB2 ALA 26 0.213 -2.537 3.032 210 3HB ALA 26 HB3 ALA 26 0.346 -3.682 1.676 211 H SER 27 HN SER 27 0.448 -4.167 5.439 212 HA SER 27 HA SER 27 2.143 -6.375 4.700 213 1HB SER 27 HB2 SER 27 2.856 -4.063 5.755 214 2HB SER 27 HB3 SER 27 2.373 -4.793 7.273 215 HG SER 27 HG SER 27 4.221 -6.065 5.448 216 H LYS 28 HN LYS 28 -0.510 -7.192 5.154 217 HA LYS 28 HA LYS 28 -0.112 -8.892 7.460 218 1HB LYS 28 HB2 LYS 28 -2.420 -8.361 8.320 219 2HB LYS 28 HB3 LYS 28 -1.209 -7.123 8.585 220 1HG LYS 28 HG2 LYS 28 -3.036 -5.875 7.768 221 2HG LYS 28 HG3 LYS 28 -2.056 -6.089 6.331 222 1HD LYS 28 HD2 LYS 28 -4.327 -6.614 5.701 223 2HD LYS 28 HD3 LYS 28 -3.460 -8.136 5.759 224 1HE LYS 28 HE2 LYS 28 -4.575 -7.493 8.391 225 2HE LYS 28 HE3 LYS 28 -5.832 -7.463 7.169 226 1HZ LYS 28 HZ1 LYS 28 -5.574 -9.645 6.756 227 2HZ LYS 28 HZ2 LYS 28 -3.970 -9.670 7.065 228 3HZ LYS 28 HZ3 LYS 28 -5.040 -9.669 8.300 229 H PHE 29 HN PHE 29 -0.186 -8.987 4.426 230 HA PHE 29 HA PHE 29 -2.411 -10.893 4.221 231 1HB PHE 29 HB2 PHE 29 -1.026 -9.126 2.114 232 2HB PHE 29 HB3 PHE 29 -2.333 -10.239 1.761 233 HD1 PHE 29 HD1 PHE 29 -4.046 -9.649 4.196 234 HD2 PHE 29 HD2 PHE 29 -2.030 -7.094 1.473 235 HE1 PHE 29 HE1 PHE 29 -5.717 -7.834 4.661 236 HE2 PHE 29 HE2 PHE 29 -3.700 -5.280 1.939 237 HZ PHE 29 HZ PHE 29 -5.524 -5.671 3.527 238 H ASN 30 HN ASN 30 -1.945 -12.954 3.487 239 HA ASN 30 HA ASN 30 0.691 -13.784 3.619 240 1HB ASN 30 HB2 ASN 30 -1.594 -15.112 3.826 241 2HB ASN 30 HB3 ASN 30 -1.458 -15.307 2.090 242 1HD2 ASN 30 HD21 ASN 30 -1.465 -17.586 3.020 243 2HD2 ASN 30 HD22 ASN 30 0.075 -18.329 3.297 244 H SER 31 HN SER 31 -0.931 -12.014 1.222 245 HA SER 31 HA SER 31 0.446 -13.272 -0.981 246 1HB SER 31 HB2 SER 31 -1.831 -11.369 -0.662 247 2HB SER 31 HB3 SER 31 -0.825 -11.095 -2.070 248 HG SER 31 HG SER 31 -1.968 -13.666 -1.380 249 H ASP 32 HN ASP 32 1.310 -11.421 -2.666 250 HA ASP 32 HA ASP 32 3.268 -10.000 -1.097 251 1HB ASP 32 HB2 ASP 32 2.979 -10.788 -4.008 252 2HB ASP 32 HB3 ASP 32 4.087 -9.498 -3.585 253 H ILE 33 HN ILE 33 1.808 -8.258 -0.343 254 HA ILE 33 HA ILE 33 0.820 -6.521 -2.488 255 HB ILE 33 HB ILE 33 -0.782 -7.474 -0.810 256 1HG1 ILE 33 HG12 ILE 33 -0.879 -5.183 -2.152 257 2HG1 ILE 33 HG13 ILE 33 -2.134 -5.661 -1.026 258 1HG2 ILE 33 HG21 ILE 33 -0.079 -7.478 1.313 259 2HG2 ILE 33 HG22 ILE 33 1.107 -6.183 1.027 260 3HG2 ILE 33 HG23 ILE 33 -0.598 -5.776 1.337 261 1HD1 ILE 33 HD11 ILE 33 -1.425 -4.159 0.632 262 2HD1 ILE 33 HD12 ILE 33 0.244 -4.111 0.015 263 3HD1 ILE 33 HD13 ILE 33 -1.051 -3.251 -0.853 264 H ASN 34 HN ASN 34 1.760 -4.569 -2.841 265 HA ASN 34 HA ASN 34 3.393 -3.515 -0.686 266 1HB ASN 34 HB2 ASN 34 4.284 -3.602 -3.616 267 2HB ASN 34 HB3 ASN 34 5.215 -2.967 -2.273 268 1HD2 ASN 34 HD21 ASN 34 6.303 -4.844 -3.868 269 2HD2 ASN 34 HD22 ASN 34 6.463 -6.365 -3.055 270 H LEU 35 HN LEU 35 4.163 -1.120 -1.531 271 HA LEU 35 HA LEU 35 1.841 0.060 -2.892 272 1HB LEU 35 HB2 LEU 35 1.518 1.474 -1.229 273 2HB LEU 35 HB3 LEU 35 2.535 0.420 -0.268 274 HG LEU 35 HG LEU 35 4.502 1.805 -0.813 275 1HD1 LEU 35 HD11 LEU 35 2.644 2.990 -2.732 276 2HD1 LEU 35 HD12 LEU 35 3.502 4.203 -1.751 277 3HD1 LEU 35 HD13 LEU 35 4.423 3.005 -2.691 278 1HD2 LEU 35 HD21 LEU 35 2.110 2.889 0.593 279 2HD2 LEU 35 HD22 LEU 35 3.726 2.477 1.215 280 3HD2 LEU 35 HD23 LEU 35 3.478 3.992 0.313 281 H GLU 36 HN GLU 36 2.247 1.639 -4.466 282 HA GLU 36 HA GLU 36 5.079 2.073 -5.003 283 1HB GLU 36 HB2 GLU 36 4.236 0.422 -6.612 284 2HB GLU 36 HB3 GLU 36 2.879 1.452 -7.020 285 1HG GLU 36 HG2 GLU 36 5.271 3.023 -7.341 286 2HG GLU 36 HG3 GLU 36 5.552 1.480 -8.123 287 H TYR 37 HN TYR 37 5.548 4.217 -4.828 288 HA TYR 37 HA TYR 37 3.398 6.104 -5.525 289 1HB TYR 37 HB2 TYR 37 3.961 6.103 -3.111 290 2HB TYR 37 HB3 TYR 37 5.677 6.052 -3.461 291 HD1 TYR 37 HD1 TYR 37 5.996 7.987 -1.941 292 HD2 TYR 37 HD2 TYR 37 3.593 8.283 -5.468 293 HE1 TYR 37 HE1 TYR 37 6.095 10.524 -1.804 294 HE2 TYR 37 HE2 TYR 37 3.700 10.819 -5.320 295 HH TYR 37 HH TYR 37 5.082 12.508 -4.393 296 H LYS 38 HN LYS 38 3.812 7.498 -7.172 297 HA LYS 38 HA LYS 38 4.918 8.717 -8.650 298 1HB LYS 38 HB2 LYS 38 6.944 9.706 -8.130 299 2HB LYS 38 HB3 LYS 38 6.308 9.308 -6.547 300 1HG LYS 38 HG2 LYS 38 8.015 7.864 -6.115 301 2HG LYS 38 HG3 LYS 38 7.821 7.053 -7.656 302 1HD LYS 38 HD2 LYS 38 10.067 8.150 -7.412 303 2HD LYS 38 HD3 LYS 38 9.173 8.740 -8.799 304 1HE LYS 38 HE2 LYS 38 9.340 10.855 -8.000 305 2HE LYS 38 HE3 LYS 38 8.403 10.394 -6.592 306 1HZ LYS 38 HZ1 LYS 38 10.920 11.185 -6.492 307 2HZ LYS 38 HZ2 LYS 38 10.237 10.228 -5.359 308 3HZ LYS 38 HZ3 LYS 38 11.151 9.569 -6.542 309 H GLY 39 HN GLY 39 5.141 5.478 -8.160 310 1HA GLY 39 HA1 GLY 39 5.285 4.160 -10.187 311 2HA GLY 39 HA2 GLY 39 6.694 5.093 -10.648 312 H LYS 40 HN LYS 40 6.946 4.816 -7.328 313 HA LYS 40 HA LYS 40 8.769 2.560 -7.624 314 1HB LYS 40 HB2 LYS 40 9.843 4.464 -6.726 315 2HB LYS 40 HB3 LYS 40 8.520 4.814 -5.631 316 1HG LYS 40 HG2 LYS 40 8.997 2.767 -4.330 317 2HG LYS 40 HG3 LYS 40 10.239 2.293 -5.472 318 1HD LYS 40 HD2 LYS 40 11.788 3.635 -4.485 319 2HD LYS 40 HD3 LYS 40 10.717 5.021 -4.528 320 1HE LYS 40 HE2 LYS 40 9.533 3.528 -2.532 321 2HE LYS 40 HE3 LYS 40 11.212 3.076 -2.319 322 1HZ LYS 40 HZ1 LYS 40 9.971 5.479 -1.647 323 2HZ LYS 40 HZ2 LYS 40 11.502 5.005 -1.334 324 3HZ LYS 40 HZ3 LYS 40 11.160 5.799 -2.720 325 H SER 41 HN SER 41 7.935 0.585 -7.226 326 HA SER 41 HA SER 41 5.806 0.461 -5.250 327 1HB SER 41 HB2 SER 41 4.929 -1.366 -6.396 328 2HB SER 41 HB3 SER 41 5.636 -0.463 -7.721 329 HG SER 41 HG SER 41 7.623 -1.842 -7.333 330 H VAL 42 HN VAL 42 6.411 -0.216 -3.228 331 HA VAL 42 HA VAL 42 8.337 -2.381 -3.037 332 HB VAL 42 HB VAL 42 9.917 -1.281 -1.836 333 1HG1 VAL 42 HG11 VAL 42 8.745 0.958 -3.521 334 2HG1 VAL 42 HG12 VAL 42 10.389 0.932 -2.838 335 3HG1 VAL 42 HG13 VAL 42 9.911 -0.275 -4.057 336 1HG2 VAL 42 HG21 VAL 42 9.613 0.568 -0.374 337 2HG2 VAL 42 HG22 VAL 42 8.052 0.994 -1.115 338 3HG2 VAL 42 HG23 VAL 42 8.199 -0.486 -0.138 339 H ASN 43 HN ASN 43 8.015 -3.679 -1.192 340 HA ASN 43 HA ASN 43 5.557 -4.006 -0.279 341 1HB ASN 43 HB2 ASN 43 7.869 -4.297 1.679 342 2HB ASN 43 HB3 ASN 43 6.488 -5.356 1.471 343 1HD2 ASN 43 HD21 ASN 43 9.704 -4.815 0.751 344 2HD2 ASN 43 HD22 ASN 43 9.941 -5.969 -0.519 345 H LEU 44 HN LEU 44 4.464 -1.967 0.164 346 HA LEU 44 HA LEU 44 5.004 0.221 1.346 347 1HB LEU 44 HB2 LEU 44 2.850 -0.831 2.935 348 2HB LEU 44 HB3 LEU 44 2.831 0.388 1.677 349 HG LEU 44 HG LEU 44 2.785 -1.516 -0.011 350 1HD1 LEU 44 HD11 LEU 44 2.059 -3.162 2.427 351 2HD1 LEU 44 HD12 LEU 44 2.051 -3.700 0.730 352 3HD1 LEU 44 HD13 LEU 44 3.588 -3.277 1.523 353 1HD2 LEU 44 HD21 LEU 44 0.806 -0.279 0.282 354 2HD2 LEU 44 HD22 LEU 44 0.321 -1.984 0.441 355 3HD2 LEU 44 HD23 LEU 44 0.506 -0.973 1.894 356 H LYS 45 HN LYS 45 5.122 -2.896 3.116 357 HA LYS 45 HA LYS 45 5.619 -1.761 5.637 358 1HB LYS 45 HB2 LYS 45 4.804 -4.087 5.170 359 2HB LYS 45 HB3 LYS 45 6.413 -4.502 4.613 360 1HG LYS 45 HG2 LYS 45 6.344 -5.166 6.916 361 2HG LYS 45 HG3 LYS 45 7.299 -3.697 6.883 362 1HD LYS 45 HD2 LYS 45 4.666 -2.755 7.181 363 2HD LYS 45 HD3 LYS 45 4.694 -4.203 8.168 364 1HE LYS 45 HE2 LYS 45 7.156 -2.820 8.677 365 2HE LYS 45 HE3 LYS 45 5.886 -1.613 8.717 366 1HZ LYS 45 HZ1 LYS 45 5.492 -2.371 10.738 367 2HZ LYS 45 HZ2 LYS 45 4.843 -3.710 10.065 368 3HZ LYS 45 HZ3 LYS 45 6.405 -3.710 10.542 369 H SER 46 HN SER 46 7.381 -1.447 2.835 370 HA SER 46 HA SER 46 9.952 -1.784 4.066 371 1HB SER 46 HB2 SER 46 9.308 -2.281 1.586 372 2HB SER 46 HB3 SER 46 9.412 -0.549 1.345 373 HG SER 46 HG SER 46 11.519 -2.307 2.268 374 H ILE 47 HN ILE 47 9.300 -0.113 5.791 375 HA ILE 47 HA ILE 47 8.691 2.470 5.393 376 HB ILE 47 HB ILE 47 9.607 0.912 7.477 377 1HG1 ILE 47 HG12 ILE 47 8.884 2.750 8.884 378 2HG1 ILE 47 HG13 ILE 47 9.032 3.887 7.559 379 1HG2 ILE 47 HG21 ILE 47 11.893 1.414 7.264 380 2HG2 ILE 47 HG22 ILE 47 11.576 3.134 6.932 381 3HG2 ILE 47 HG23 ILE 47 11.302 2.477 8.564 382 1HD1 ILE 47 HD11 ILE 47 7.363 1.591 6.806 383 2HD1 ILE 47 HD12 ILE 47 6.734 2.429 8.245 384 3HD1 ILE 47 HD13 ILE 47 6.992 3.331 6.733 385 H MET 48 HN MET 48 12.083 1.159 5.402 386 HA MET 48 HA MET 48 13.459 3.358 4.890 387 1HB MET 48 HB2 MET 48 14.707 1.630 3.149 388 2HB MET 48 HB3 MET 48 14.860 1.503 4.890 389 1HG MET 48 HG2 MET 48 13.424 -0.332 5.033 390 2HG MET 48 HG3 MET 48 12.472 0.162 3.648 391 1HE MET 48 HE1 MET 48 14.127 0.852 1.537 392 2HE MET 48 HE2 MET 48 15.027 -0.462 0.742 393 3HE MET 48 HE3 MET 48 13.265 -0.592 0.955 394 H GLY 49 HN GLY 49 12.361 1.248 2.130 395 1HA GLY 49 HA1 GLY 49 12.866 3.090 0.116 396 2HA GLY 49 HA2 GLY 49 11.733 1.755 0.034 397 H VAL 50 HN VAL 50 9.749 2.367 1.852 398 HA VAL 50 HA VAL 50 8.253 4.270 0.464 399 HB VAL 50 HB VAL 50 7.962 2.435 2.674 400 1HG1 VAL 50 HG11 VAL 50 6.786 5.200 3.013 401 2HG1 VAL 50 HG12 VAL 50 6.027 3.758 3.729 402 3HG1 VAL 50 HG13 VAL 50 7.684 4.214 4.192 403 1HG2 VAL 50 HG21 VAL 50 5.598 3.621 1.303 404 2HG2 VAL 50 HG22 VAL 50 6.795 2.793 0.278 405 3HG2 VAL 50 HG23 VAL 50 6.012 1.918 1.616 406 H MET 51 HN MET 51 10.048 4.425 3.604 407 HA MET 51 HA MET 51 9.320 6.809 4.511 408 1HB MET 51 HB2 MET 51 10.994 5.457 5.661 409 2HB MET 51 HB3 MET 51 12.097 5.540 4.302 410 1HG MET 51 HG2 MET 51 13.072 7.339 5.288 411 2HG MET 51 HG3 MET 51 11.608 8.247 4.967 412 1HE MET 51 HE1 MET 51 9.511 6.918 6.328 413 2HE MET 51 HE2 MET 51 10.142 5.608 7.354 414 3HE MET 51 HE3 MET 51 9.479 7.082 8.100 415 H SER 52 HN SER 52 11.952 6.299 2.051 416 HA SER 52 HA SER 52 12.464 8.993 1.704 417 1HB SER 52 HB2 SER 52 13.834 8.328 -0.103 418 2HB SER 52 HB3 SER 52 13.826 6.924 0.945 419 HG SER 52 HG SER 52 12.246 7.320 -1.448 420 H LEU 53 HN LEU 53 9.834 6.948 0.627 421 HA LEU 53 HA LEU 53 9.101 8.804 -1.490 422 1HB LEU 53 HB2 LEU 53 8.662 6.004 -0.898 423 2HB LEU 53 HB3 LEU 53 7.145 6.821 -1.219 424 HG LEU 53 HG LEU 53 9.557 6.720 -3.049 425 1HD1 LEU 53 HD11 LEU 53 8.692 4.780 -3.701 426 2HD1 LEU 53 HD12 LEU 53 7.229 5.019 -2.716 427 3HD1 LEU 53 HD13 LEU 53 7.317 5.699 -4.358 428 1HD2 LEU 53 HD21 LEU 53 8.738 8.373 -4.300 429 2HD2 LEU 53 HD22 LEU 53 7.077 7.740 -4.202 430 3HD2 LEU 53 HD23 LEU 53 7.713 8.777 -2.902 431 H GLY 54 HN GLY 54 6.761 7.097 0.587 432 1HA GLY 54 HA1 GLY 54 5.113 7.851 1.915 433 2HA GLY 54 HA2 GLY 54 6.171 9.172 2.370 434 H VAL 55 HN VAL 55 3.153 8.647 1.292 435 HA VAL 55 HA VAL 55 3.200 10.944 -0.541 436 HB VAL 55 HB VAL 55 0.754 9.740 -0.851 437 1HG1 VAL 55 HG11 VAL 55 2.890 10.441 -2.422 438 2HG1 VAL 55 HG12 VAL 55 2.842 8.676 -2.640 439 3HG1 VAL 55 HG13 VAL 55 1.403 9.657 -3.007 440 1HG2 VAL 55 HG21 VAL 55 1.700 7.844 0.597 441 2HG2 VAL 55 HG22 VAL 55 0.965 7.395 -0.961 442 3HG2 VAL 55 HG23 VAL 55 2.736 7.457 -0.798 443 H GLY 56 HN GLY 56 0.567 11.734 -0.443 444 1HA GLY 56 HA1 GLY 56 -0.842 11.839 1.853 445 2HA GLY 56 HA2 GLY 56 0.459 12.970 2.169 446 H GLN 57 HN GLN 57 0.650 14.929 0.925 447 HA GLN 57 HA GLN 57 -1.601 16.224 0.366 448 1HB GLN 57 HB2 GLN 57 -0.272 17.889 -0.662 449 2HB GLN 57 HB3 GLN 57 0.849 17.060 0.399 450 1HG GLN 57 HG2 GLN 57 1.265 15.533 -1.764 451 2HG GLN 57 HG3 GLN 57 0.639 16.932 -2.613 452 1HE2 GLN 57 HE21 GLN 57 1.554 19.084 -1.754 453 2HE2 GLN 57 HE22 GLN 57 3.273 19.165 -1.559 454 H GLY 58 HN GLY 58 -3.201 14.973 -0.713 455 1HA GLY 58 HA1 GLY 58 -4.196 13.878 -2.435 456 2HA GLY 58 HA2 GLY 58 -3.674 15.294 -3.326 457 H SER 59 HN SER 59 -1.036 13.455 -2.018 458 HA SER 59 HA SER 59 0.124 13.000 -4.422 459 1HB SER 59 HB2 SER 59 0.491 11.097 -2.084 460 2HB SER 59 HB3 SER 59 1.688 11.615 -3.254 461 HG SER 59 HG SER 59 2.151 12.859 -1.488 462 H ASP 60 HN ASP 60 0.700 10.696 -5.343 463 HA ASP 60 HA ASP 60 -1.692 9.039 -5.221 464 1HB ASP 60 HB2 ASP 60 -1.609 8.685 -7.616 465 2HB ASP 60 HB3 ASP 60 -1.582 10.415 -7.339 466 H VAL 61 HN VAL 61 -1.239 6.725 -5.479 467 HA VAL 61 HA VAL 61 1.519 5.945 -5.887 468 HB VAL 61 HB VAL 61 1.566 4.625 -3.812 469 1HG1 VAL 61 HG11 VAL 61 2.238 6.388 -2.392 470 2HG1 VAL 61 HG12 VAL 61 2.492 7.002 -4.043 471 3HG1 VAL 61 HG13 VAL 61 1.071 7.525 -3.109 472 1HG2 VAL 61 HG21 VAL 61 -1.200 5.408 -3.672 473 2HG2 VAL 61 HG22 VAL 61 -0.306 4.246 -2.663 474 3HG2 VAL 61 HG23 VAL 61 -0.350 5.967 -2.212 475 H THR 62 HN THR 62 1.530 3.340 -5.604 476 HA THR 62 HA THR 62 -1.001 2.303 -6.664 477 HB THR 62 HB THR 62 1.682 2.492 -8.003 478 HG1 THR 62 HG1 THR 62 0.101 3.423 -9.247 479 1HG2 THR 62 HG21 THR 62 1.562 0.049 -7.804 480 2HG2 THR 62 HG22 THR 62 -0.177 0.065 -8.186 481 3HG2 THR 62 HG23 THR 62 1.014 0.490 -9.439 482 H ILE 63 HN ILE 63 -1.615 0.375 -5.841 483 HA ILE 63 HA ILE 63 0.321 -0.865 -4.021 484 HB ILE 63 HB ILE 63 -2.294 0.014 -3.625 485 1HG1 ILE 63 HG12 ILE 63 -1.749 -1.652 -1.492 486 2HG1 ILE 63 HG13 ILE 63 -0.149 -1.323 -2.126 487 1HG2 ILE 63 HG21 ILE 63 -2.828 -2.235 -4.839 488 2HG2 ILE 63 HG22 ILE 63 -2.379 -2.965 -3.280 489 3HG2 ILE 63 HG23 ILE 63 -3.710 -1.786 -3.360 490 1HD1 ILE 63 HD11 ILE 63 -1.173 0.338 -0.379 491 2HD1 ILE 63 HD12 ILE 63 -0.348 1.012 -1.804 492 3HD1 ILE 63 HD13 ILE 63 -2.126 0.946 -1.754 493 H THR 64 HN THR 64 0.423 -3.228 -3.953 494 HA THR 64 HA THR 64 -0.660 -4.541 -6.334 495 HB THR 64 HB THR 64 2.226 -4.995 -5.518 496 HG1 THR 64 HG1 THR 64 1.205 -3.015 -7.417 497 1HG2 THR 64 HG21 THR 64 2.132 -6.244 -7.429 498 2HG2 THR 64 HG22 THR 64 0.464 -5.707 -7.739 499 3HG2 THR 64 HG23 THR 64 1.835 -4.740 -8.333 500 H VAL 65 HN VAL 65 -0.847 -6.848 -6.156 501 HA VAL 65 HA VAL 65 -0.324 -7.946 -3.522 502 HB VAL 65 HB VAL 65 -2.618 -6.834 -3.578 503 1HG1 VAL 65 HG11 VAL 65 -4.052 -9.036 -4.674 504 2HG1 VAL 65 HG12 VAL 65 -4.034 -7.342 -5.222 505 3HG1 VAL 65 HG13 VAL 65 -2.868 -8.507 -5.893 506 1HG2 VAL 65 HG21 VAL 65 -3.675 -9.080 -2.620 507 2HG2 VAL 65 HG22 VAL 65 -1.990 -9.641 -2.750 508 3HG2 VAL 65 HG23 VAL 65 -2.380 -8.213 -1.760 509 H ASP 66 HN ASP 66 0.816 -9.757 -3.960 510 HA ASP 66 HA ASP 66 -0.149 -11.353 -6.194 511 1HB ASP 66 HB2 ASP 66 2.693 -11.755 -5.753 512 2HB ASP 66 HB3 ASP 66 1.870 -11.281 -7.226 513 H GLY 67 HN GLY 67 -0.585 -13.462 -5.505 514 1HA GLY 67 HA1 GLY 67 0.719 -15.294 -4.231 515 2HA GLY 67 HA2 GLY 67 0.416 -14.253 -2.855 516 H ALA 68 HN ALA 68 -1.195 -15.155 -1.640 517 HA ALA 68 HA ALA 68 -3.419 -16.410 -3.063 518 1HB ALA 68 HB1 ALA 68 -3.477 -17.870 -1.337 519 2HB ALA 68 HB2 ALA 68 -1.882 -17.214 -0.900 520 3HB ALA 68 HB3 ALA 68 -3.350 -16.574 -0.124 521 H ASP 69 HN ASP 69 -2.978 -14.406 -0.057 522 HA ASP 69 HA ASP 69 -5.446 -13.566 0.298 523 1HB ASP 69 HB2 ASP 69 -2.763 -12.392 0.725 524 2HB ASP 69 HB3 ASP 69 -4.018 -11.173 0.618 525 H GLU 70 HN GLU 70 -3.224 -12.638 -2.326 526 HA GLU 70 HA GLU 70 -3.464 -10.682 -3.601 527 1HB GLU 70 HB2 GLU 70 -5.406 -12.695 -4.798 528 2HB GLU 70 HB3 GLU 70 -4.353 -11.587 -5.655 529 1HG GLU 70 HG2 GLU 70 -2.352 -12.785 -4.743 530 2HG GLU 70 HG3 GLU 70 -3.405 -13.893 -3.888 531 H ALA 71 HN ALA 71 -6.790 -12.103 -3.806 532 HA ALA 71 HA ALA 71 -8.049 -9.665 -4.152 533 1HB ALA 71 HB1 ALA 71 -8.914 -12.415 -3.244 534 2HB ALA 71 HB2 ALA 71 -10.079 -11.070 -3.289 535 3HB ALA 71 HB3 ALA 71 -9.250 -11.580 -4.779 536 H GLU 72 HN GLU 72 -8.239 -11.721 -1.156 537 HA GLU 72 HA GLU 72 -9.335 -9.872 0.450 538 1HB GLU 72 HB2 GLU 72 -9.181 -11.823 1.618 539 2HB GLU 72 HB3 GLU 72 -7.701 -12.303 0.812 540 1HG GLU 72 HG2 GLU 72 -7.233 -11.951 3.190 541 2HG GLU 72 HG3 GLU 72 -6.405 -10.719 2.260 542 H GLY 73 HN GLY 73 -5.784 -10.404 -0.091 543 1HA GLY 73 HA1 GLY 73 -4.736 -8.543 1.616 544 2HA GLY 73 HA2 GLY 73 -4.049 -8.977 0.063 545 H MET 74 HN MET 74 -4.884 -7.813 -1.918 546 HA MET 74 HA MET 74 -4.728 -5.107 -1.562 547 1HB MET 74 HB2 MET 74 -5.608 -5.043 -3.963 548 2HB MET 74 HB3 MET 74 -4.284 -6.167 -3.725 549 1HG MET 74 HG2 MET 74 -5.588 -7.867 -4.473 550 2HG MET 74 HG3 MET 74 -6.698 -7.609 -3.142 551 1HE MET 74 HE1 MET 74 -9.117 -8.123 -4.761 552 2HE MET 74 HE2 MET 74 -8.777 -7.185 -3.288 553 3HE MET 74 HE3 MET 74 -9.748 -6.467 -4.596 554 H ALA 75 HN ALA 75 -7.560 -7.272 -1.528 555 HA ALA 75 HA ALA 75 -9.613 -5.563 -2.012 556 1HB ALA 75 HB1 ALA 75 -10.800 -7.030 -0.209 557 2HB ALA 75 HB2 ALA 75 -10.140 -7.825 -1.659 558 3HB ALA 75 HB3 ALA 75 -9.246 -7.894 -0.121 559 H ALA 76 HN ALA 76 -8.098 -6.189 1.238 560 HA ALA 76 HA ALA 76 -9.544 -4.235 2.581 561 1HB ALA 76 HB1 ALA 76 -7.020 -4.439 3.816 562 2HB ALA 76 HB2 ALA 76 -8.481 -5.382 4.198 563 3HB ALA 76 HB3 ALA 76 -7.289 -6.018 3.040 564 H ILE 77 HN ILE 77 -6.156 -4.079 1.258 565 HA ILE 77 HA ILE 77 -5.626 -1.479 1.837 566 HB ILE 77 HB ILE 77 -4.665 -3.504 -0.002 567 1HG1 ILE 77 HG12 ILE 77 -3.367 -3.096 1.890 568 2HG1 ILE 77 HG13 ILE 77 -2.477 -2.310 0.602 569 1HG2 ILE 77 HG21 ILE 77 -4.507 -0.613 -0.885 570 2HG2 ILE 77 HG22 ILE 77 -3.433 -1.901 -1.482 571 3HG2 ILE 77 HG23 ILE 77 -5.186 -1.995 -1.778 572 1HD1 ILE 77 HD11 ILE 77 -2.475 -0.569 2.121 573 2HD1 ILE 77 HD12 ILE 77 -4.033 -0.218 1.335 574 3HD1 ILE 77 HD13 ILE 77 -3.996 -1.095 2.884 575 H VAL 78 HN VAL 78 -7.090 -2.680 -1.270 576 HA VAL 78 HA VAL 78 -7.565 -0.248 -2.409 577 HB VAL 78 HB VAL 78 -9.436 -2.614 -2.531 578 1HG1 VAL 78 HG11 VAL 78 -8.754 -1.207 -5.010 579 2HG1 VAL 78 HG12 VAL 78 -10.343 -1.650 -4.342 580 3HG1 VAL 78 HG13 VAL 78 -9.537 -0.157 -3.805 581 1HG2 VAL 78 HG21 VAL 78 -7.782 -3.893 -3.303 582 2HG2 VAL 78 HG22 VAL 78 -7.516 -2.733 -4.627 583 3HG2 VAL 78 HG23 VAL 78 -6.624 -2.557 -3.096 584 H GLU 79 HN GLU 79 -9.939 -2.153 -0.412 585 HA GLU 79 HA GLU 79 -11.850 -0.213 -0.331 586 1HB GLU 79 HB2 GLU 79 -11.196 -2.663 1.160 587 2HB GLU 79 HB3 GLU 79 -12.022 -1.489 2.165 588 1HG GLU 79 HG2 GLU 79 -13.310 -1.556 -0.435 589 2HG GLU 79 HG3 GLU 79 -13.154 -3.199 0.156 590 H THR 80 HN THR 80 -8.993 -0.712 1.814 591 HA THR 80 HA THR 80 -9.667 1.333 3.641 592 HB THR 80 HB THR 80 -7.619 -0.659 3.202 593 HG1 THR 80 HG1 THR 80 -8.311 1.321 5.255 594 1HG2 THR 80 HG21 THR 80 -5.896 0.852 2.627 595 2HG2 THR 80 HG22 THR 80 -6.669 2.207 3.485 596 3HG2 THR 80 HG23 THR 80 -5.839 0.929 4.405 597 H LEU 81 HN LEU 81 -7.483 1.285 0.752 598 HA LEU 81 HA LEU 81 -6.467 3.771 0.884 599 1HB LEU 81 HB2 LEU 81 -7.336 2.020 -1.371 600 2HB LEU 81 HB3 LEU 81 -6.848 3.664 -1.734 601 HG LEU 81 HG LEU 81 -5.167 1.544 -1.661 602 1HD1 LEU 81 HD11 LEU 81 -4.844 3.937 -2.486 603 2HD1 LEU 81 HD12 LEU 81 -4.215 4.294 -0.859 604 3HD1 LEU 81 HD13 LEU 81 -3.404 3.083 -1.881 605 1HD2 LEU 81 HD21 LEU 81 -3.854 1.484 0.319 606 2HD2 LEU 81 HD22 LEU 81 -4.710 2.883 1.012 607 3HD2 LEU 81 HD23 LEU 81 -5.555 1.329 0.818 608 H GLN 82 HN GLN 82 -9.775 2.865 -0.247 609 HA GLN 82 HA GLN 82 -10.368 5.688 -0.470 610 1HB GLN 82 HB2 GLN 82 -12.660 4.074 -1.071 611 2HB GLN 82 HB3 GLN 82 -11.682 5.020 -2.176 612 1HG GLN 82 HG2 GLN 82 -11.082 3.041 -3.124 613 2HG GLN 82 HG3 GLN 82 -10.063 2.797 -1.719 614 1HE2 GLN 82 HE21 GLN 82 -12.411 2.710 0.085 615 2HE2 GLN 82 HE22 GLN 82 -13.117 1.138 -0.097 616 H LYS 83 HN LYS 83 -10.588 3.070 1.759 617 HA LYS 83 HA LYS 83 -13.002 3.958 3.030 618 1HB LYS 83 HB2 LYS 83 -12.946 1.847 3.720 619 2HB LYS 83 HB3 LYS 83 -11.338 1.632 3.059 620 1HG LYS 83 HG2 LYS 83 -10.318 2.516 5.126 621 2HG LYS 83 HG3 LYS 83 -11.898 2.896 5.783 622 1HD LYS 83 HD2 LYS 83 -10.607 0.591 6.365 623 2HD LYS 83 HD3 LYS 83 -12.356 0.701 6.332 624 1HE LYS 83 HE2 LYS 83 -12.280 0.002 3.878 625 2HE LYS 83 HE3 LYS 83 -10.558 -0.266 4.060 626 1HZ LYS 83 HZ1 LYS 83 -12.744 -1.823 5.049 627 2HZ LYS 83 HZ2 LYS 83 -11.223 -2.283 4.671 628 3HZ LYS 83 HZ3 LYS 83 -11.536 -1.616 6.128 629 H GLU 84 HN GLU 84 -9.468 4.378 3.403 630 HA GLU 84 HA GLU 84 -9.977 5.963 5.775 631 1HB GLU 84 HB2 GLU 84 -7.220 5.424 4.656 632 2HB GLU 84 HB3 GLU 84 -7.698 5.687 6.321 633 1HG GLU 84 HG2 GLU 84 -8.572 3.245 4.713 634 2HG GLU 84 HG3 GLU 84 -7.123 3.266 5.697 635 H GLY 85 HN GLY 85 -10.511 6.635 2.762 636 1HA GLY 85 HA1 GLY 85 -10.298 8.396 1.374 637 2HA GLY 85 HA2 GLY 85 -10.199 9.348 2.842 638 H LEU 86 HN LEU 86 -7.733 6.881 2.285 639 HA LEU 86 HA LEU 86 -5.776 9.012 2.004 640 1HB LEU 86 HB2 LEU 86 -5.847 6.759 3.536 641 2HB LEU 86 HB3 LEU 86 -4.892 6.208 2.174 642 HG LEU 86 HG LEU 86 -3.801 8.707 2.835 643 1HD1 LEU 86 HD11 LEU 86 -3.893 7.162 5.402 644 2HD1 LEU 86 HD12 LEU 86 -3.540 8.882 5.114 645 3HD1 LEU 86 HD13 LEU 86 -5.213 8.286 5.000 646 1HD2 LEU 86 HD21 LEU 86 -2.996 5.844 3.049 647 2HD2 LEU 86 HD22 LEU 86 -2.266 7.181 2.129 648 3HD2 LEU 86 HD23 LEU 86 -1.997 7.058 3.885 649 H ALA 87 HN ALA 87 -7.748 7.247 -0.016 650 HA ALA 87 HA ALA 87 -6.216 7.908 -2.292 651 1HB ALA 87 HB1 ALA 87 -4.873 6.082 -2.307 652 2HB ALA 87 HB2 ALA 87 -5.872 5.222 -1.111 653 3HB ALA 87 HB3 ALA 87 -6.331 5.205 -2.831 654 H GLU 88 HN GLU 88 -7.405 7.261 -4.317 655 HA GLU 88 HA GLU 88 -10.208 7.399 -3.746 656 1HB GLU 88 HB2 GLU 88 -8.552 7.612 -6.286 657 2HB GLU 88 HB3 GLU 88 -10.303 7.565 -6.337 658 1HG GLU 88 HG2 GLU 88 -9.817 9.466 -4.350 659 2HG GLU 88 HG3 GLU 88 -8.504 9.756 -5.475 660 H GLN 89 HN GLN 89 -8.460 5.515 -6.311 661 HA GLN 89 HA GLN 89 -9.426 3.066 -5.247 662 1HB GLN 89 HB2 GLN 89 -10.764 4.348 -7.629 663 2HB GLN 89 HB3 GLN 89 -10.585 2.605 -7.606 664 1HG GLN 89 HG2 GLN 89 -11.541 2.921 -5.095 665 2HG GLN 89 HG3 GLN 89 -12.222 4.373 -5.801 666 1HE2 GLN 89 HE21 GLN 89 -14.158 4.174 -6.599 667 2HE2 GLN 89 HE22 GLN 89 -14.880 2.755 -7.280 Start of MODEL 5 1 H MET 1 HN MET 1 0.604 -10.753 -11.685 2 HA MET 1 HA MET 1 0.056 -11.391 -8.891 3 1HB MET 1 HB2 MET 1 1.704 -9.085 -10.070 4 2HB MET 1 HB3 MET 1 1.259 -9.187 -8.378 5 1HG MET 1 HG2 MET 1 3.382 -10.173 -8.323 6 2HG MET 1 HG3 MET 1 2.375 -11.595 -8.505 7 1HE MET 1 HE1 MET 1 2.342 -13.034 -11.176 8 2HE MET 1 HE2 MET 1 4.098 -13.307 -11.072 9 3HE MET 1 HE3 MET 1 3.122 -13.210 -9.586 10 H GLU 2 HN GLU 2 -1.287 -9.753 -7.740 11 HA GLU 2 HA GLU 2 -3.057 -8.456 -9.654 12 1HB GLU 2 HB2 GLU 2 -3.478 -9.879 -7.069 13 2HB GLU 2 HB3 GLU 2 -4.450 -8.437 -7.286 14 1HG GLU 2 HG2 GLU 2 -4.431 -9.983 -9.758 15 2HG GLU 2 HG3 GLU 2 -4.891 -11.019 -8.422 16 H LYS 3 HN LYS 3 -1.746 -6.535 -9.880 17 HA LYS 3 HA LYS 3 -1.191 -5.036 -7.466 18 1HB LYS 3 HB2 LYS 3 0.551 -4.365 -8.669 19 2HB LYS 3 HB3 LYS 3 -0.034 -5.260 -10.057 20 1HG LYS 3 HG2 LYS 3 -1.471 -3.329 -10.713 21 2HG LYS 3 HG3 LYS 3 -0.926 -2.434 -9.308 22 1HD LYS 3 HD2 LYS 3 0.939 -3.470 -11.495 23 2HD LYS 3 HD3 LYS 3 0.291 -1.842 -11.454 24 1HE LYS 3 HE2 LYS 3 1.294 -1.822 -8.980 25 2HE LYS 3 HE3 LYS 3 2.290 -3.132 -9.583 26 1HZ LYS 3 HZ1 LYS 3 3.324 -1.001 -9.920 27 2HZ LYS 3 HZ2 LYS 3 3.009 -1.696 -11.364 28 3HZ LYS 3 HZ3 LYS 3 2.068 -0.476 -10.822 29 H LYS 4 HN LYS 4 -1.961 -2.836 -7.132 30 HA LYS 4 HA LYS 4 -4.265 -2.081 -8.733 31 1HB LYS 4 HB2 LYS 4 -4.975 -3.569 -6.751 32 2HB LYS 4 HB3 LYS 4 -4.529 -2.219 -5.727 33 1HG LYS 4 HG2 LYS 4 -6.874 -1.952 -6.187 34 2HG LYS 4 HG3 LYS 4 -6.055 -0.742 -7.154 35 1HD LYS 4 HD2 LYS 4 -6.126 -2.333 -9.125 36 2HD LYS 4 HD3 LYS 4 -7.051 -3.455 -8.145 37 1HE LYS 4 HE2 LYS 4 -8.791 -1.636 -7.801 38 2HE LYS 4 HE3 LYS 4 -7.889 -0.616 -8.904 39 1HZ LYS 4 HZ1 LYS 4 -8.246 -3.087 -10.110 40 2HZ LYS 4 HZ2 LYS 4 -9.698 -2.614 -9.531 41 3HZ LYS 4 HZ3 LYS 4 -8.874 -1.648 -10.558 42 H GLU 5 HN GLU 5 -3.704 -0.089 -9.424 43 HA GLU 5 HA GLU 5 -1.937 1.470 -7.804 44 1HB GLU 5 HB2 GLU 5 -3.274 2.236 -10.433 45 2HB GLU 5 HB3 GLU 5 -1.866 2.992 -9.715 46 1HG GLU 5 HG2 GLU 5 -0.613 1.548 -10.945 47 2HG GLU 5 HG3 GLU 5 -1.118 0.301 -9.822 48 H PHE 6 HN PHE 6 -2.417 3.521 -6.848 49 HA PHE 6 HA PHE 6 -5.157 4.442 -7.003 50 1HB PHE 6 HB2 PHE 6 -3.674 3.609 -4.437 51 2HB PHE 6 HB3 PHE 6 -5.212 4.449 -4.440 52 HD1 PHE 6 HD1 PHE 6 -6.633 3.011 -6.615 53 HD2 PHE 6 HD2 PHE 6 -4.167 1.539 -3.492 54 HE1 PHE 6 HE1 PHE 6 -7.834 0.810 -6.704 55 HE2 PHE 6 HE2 PHE 6 -5.368 -0.663 -3.581 56 HZ PHE 6 HZ PHE 6 -7.188 -1.001 -5.186 57 H HIS 7 HN HIS 7 -5.290 6.454 -5.295 58 HA HIS 7 HA HIS 7 -2.748 7.865 -5.353 59 1HB HIS 7 HB2 HIS 7 -3.397 8.965 -7.195 60 2HB HIS 7 HB3 HIS 7 -5.067 8.459 -7.039 61 HD1 HIS 7 HD1 HIS 7 -3.408 11.457 -7.343 62 HD2 HIS 7 HD2 HIS 7 -6.060 10.041 -4.417 63 HE1 HIS 7 HE1 HIS 7 -4.379 13.521 -6.200 64 H ILE 8 HN ILE 8 -2.470 9.288 -3.613 65 HA ILE 8 HA ILE 8 -4.117 8.811 -1.381 66 HB ILE 8 HB ILE 8 -1.972 10.877 -1.879 67 1HG1 ILE 8 HG12 ILE 8 -0.763 8.959 -2.031 68 2HG1 ILE 8 HG13 ILE 8 -0.782 9.114 -0.285 69 1HG2 ILE 8 HG21 ILE 8 -3.209 11.695 -0.053 70 2HG2 ILE 8 HG22 ILE 8 -3.435 10.069 0.635 71 3HG2 ILE 8 HG23 ILE 8 -1.827 10.831 0.664 72 1HD1 ILE 8 HD11 ILE 8 -2.844 7.639 -0.229 73 2HD1 ILE 8 HD12 ILE 8 -2.641 7.387 -1.980 74 3HD1 ILE 8 HD13 ILE 8 -1.387 6.826 -0.849 75 H VAL 9 HN VAL 9 -5.954 9.789 -0.692 76 HA VAL 9 HA VAL 9 -6.629 12.343 -1.978 77 HB VAL 9 HB VAL 9 -9.012 11.557 -1.790 78 1HG1 VAL 9 HG11 VAL 9 -7.256 11.349 -3.830 79 2HG1 VAL 9 HG12 VAL 9 -7.695 9.635 -3.638 80 3HG1 VAL 9 HG13 VAL 9 -8.960 10.849 -3.949 81 1HG2 VAL 9 HG21 VAL 9 -9.066 9.767 -0.321 82 2HG2 VAL 9 HG22 VAL 9 -9.124 8.938 -1.896 83 3HG2 VAL 9 HG23 VAL 9 -7.592 9.029 -0.993 84 H ALA 10 HN ALA 10 -5.445 11.114 0.751 85 HA ALA 10 HA ALA 10 -7.360 12.389 2.549 86 1HB ALA 10 HB1 ALA 10 -5.862 11.322 4.298 87 2HB ALA 10 HB2 ALA 10 -6.687 10.178 3.212 88 3HB ALA 10 HB3 ALA 10 -4.967 10.561 2.961 89 H GLU 11 HN GLU 11 -4.478 13.011 0.765 90 HA GLU 11 HA GLU 11 -2.889 14.509 0.903 91 1HB GLU 11 HB2 GLU 11 -3.654 16.805 1.095 92 2HB GLU 11 HB3 GLU 11 -4.916 15.872 0.314 93 1HG GLU 11 HG2 GLU 11 -6.203 15.730 2.383 94 2HG GLU 11 HG3 GLU 11 -4.881 16.400 3.319 95 H THR 12 HN THR 12 -3.590 12.895 3.481 96 HA THR 12 HA THR 12 -2.973 14.567 5.673 97 HB THR 12 HB THR 12 -4.149 12.254 5.596 98 HG1 THR 12 HG1 THR 12 -3.633 12.601 7.718 99 1HG2 THR 12 HG21 THR 12 -2.776 10.289 5.726 100 2HG2 THR 12 HG22 THR 12 -2.130 11.177 4.326 101 3HG2 THR 12 HG23 THR 12 -1.286 11.248 5.891 102 H GLY 13 HN GLY 13 -0.931 12.160 3.878 103 1HA GLY 13 HA1 GLY 13 1.274 13.254 3.257 104 2HA GLY 13 HA2 GLY 13 1.426 13.556 4.977 105 H ILE 14 HN ILE 14 -0.349 10.667 4.396 106 HA ILE 14 HA ILE 14 0.122 8.566 4.937 107 HB ILE 14 HB ILE 14 2.284 9.213 2.944 108 1HG1 ILE 14 HG12 ILE 14 0.806 8.630 1.329 109 2HG1 ILE 14 HG13 ILE 14 0.040 7.391 2.303 110 1HG2 ILE 14 HG21 ILE 14 3.280 7.264 3.285 111 2HG2 ILE 14 HG22 ILE 14 2.191 6.941 4.655 112 3HG2 ILE 14 HG23 ILE 14 1.741 6.413 3.016 113 1HD1 ILE 14 HD11 ILE 14 -1.088 9.187 3.659 114 2HD1 ILE 14 HD12 ILE 14 -0.370 10.404 2.576 115 3HD1 ILE 14 HD13 ILE 14 -1.543 9.227 1.938 116 H HIS 15 HN HIS 15 0.592 9.654 7.167 117 HA HIS 15 HA HIS 15 3.402 9.325 7.856 118 1HB HIS 15 HB2 HIS 15 2.436 10.318 10.093 119 2HB HIS 15 HB3 HIS 15 2.805 11.345 8.722 120 HD2 HIS 15 HD2 HIS 15 0.567 12.510 7.438 121 HE1 HIS 15 HE1 HIS 15 -2.309 11.112 10.246 122 HE2 HIS 15 HE2 HIS 15 -1.831 12.716 8.272 123 H ALA 16 HN ALA 16 3.503 8.507 10.386 124 HA ALA 16 HA ALA 16 3.236 5.841 10.372 125 1HB ALA 16 HB1 ALA 16 3.251 5.987 12.844 126 2HB ALA 16 HB2 ALA 16 4.383 7.150 12.113 127 3HB ALA 16 HB3 ALA 16 2.814 7.709 12.741 128 H ARG 17 HN ARG 17 0.668 8.255 10.985 129 HA ARG 17 HA ARG 17 -1.182 6.420 11.960 130 1HB ARG 17 HB2 ARG 17 -1.175 9.241 11.008 131 2HB ARG 17 HB3 ARG 17 -2.713 8.430 10.788 132 1HG ARG 17 HG2 ARG 17 -2.681 9.500 12.993 133 2HG ARG 17 HG3 ARG 17 -2.705 7.760 13.201 134 1HD ARG 17 HD2 ARG 17 -0.882 8.023 14.542 135 2HD ARG 17 HD3 ARG 17 0.034 8.314 13.078 136 HE ARG 17 HE ARG 17 -0.946 10.803 13.537 137 1HH1 ARG 17 HH22 ARG 17 0.526 8.492 15.745 138 2HH1 ARG 17 HH21 ARG 17 1.169 9.711 16.794 139 1HH2 ARG 17 HH12 ARG 17 -0.097 12.411 14.921 140 2HH2 ARG 17 HH11 ARG 17 0.812 11.955 16.322 141 HA PRO 18 HA PRO 18 -2.910 6.254 7.572 142 1HB PRO 18 HB2 PRO 18 -2.050 7.967 5.624 143 2HB PRO 18 HB3 PRO 18 -3.444 8.290 6.636 144 1HG PRO 18 HG2 PRO 18 -0.742 9.483 6.765 145 2HG PRO 18 HG3 PRO 18 -2.238 10.074 7.462 146 1HD PRO 18 HD2 PRO 18 -0.100 8.760 8.851 147 2HD PRO 18 HD3 PRO 18 -1.643 9.247 9.523 148 H ALA 19 HN ALA 19 0.485 6.862 7.749 149 HA ALA 19 HA ALA 19 1.225 5.437 5.464 150 1HB ALA 19 HB1 ALA 19 2.623 7.018 6.872 151 2HB ALA 19 HB2 ALA 19 2.781 5.705 8.064 152 3HB ALA 19 HB3 ALA 19 3.433 5.499 6.420 153 H THR 20 HN THR 20 0.852 4.425 8.927 154 HA THR 20 HA THR 20 1.478 1.704 8.340 155 HB THR 20 HB THR 20 -0.050 2.541 10.800 156 HG1 THR 20 HG1 THR 20 2.224 3.434 11.399 157 1HG2 THR 20 HG21 THR 20 2.130 1.452 11.784 158 2HG2 THR 20 HG22 THR 20 0.948 0.377 10.999 159 3HG2 THR 20 HG23 THR 20 2.412 0.881 10.122 160 H LEU 21 HN LEU 21 -1.537 3.624 8.653 161 HA LEU 21 HA LEU 21 -3.415 1.730 8.847 162 1HB LEU 21 HB2 LEU 21 -3.471 4.325 8.392 163 2HB LEU 21 HB3 LEU 21 -3.756 3.819 6.738 164 HG LEU 21 HG LEU 21 -5.461 3.178 9.157 165 1HD1 LEU 21 HD11 LEU 21 -7.179 4.481 7.983 166 2HD1 LEU 21 HD12 LEU 21 -5.729 5.453 8.331 167 3HD1 LEU 21 HD13 LEU 21 -6.016 4.841 6.684 168 1HD2 LEU 21 HD21 LEU 21 -5.561 1.215 7.859 169 2HD2 LEU 21 HD22 LEU 21 -7.012 2.149 7.423 170 3HD2 LEU 21 HD23 LEU 21 -5.607 2.126 6.330 171 H LEU 22 HN LEU 22 -1.939 2.761 5.686 172 HA LEU 22 HA LEU 22 -3.177 0.650 4.277 173 1HB LEU 22 HB2 LEU 22 -1.494 1.326 2.505 174 2HB LEU 22 HB3 LEU 22 -2.671 2.519 3.017 175 HG LEU 22 HG LEU 22 -0.418 2.908 4.677 176 1HD1 LEU 22 HD11 LEU 22 0.506 1.562 2.463 177 2HD1 LEU 22 HD12 LEU 22 0.736 3.267 2.008 178 3HD1 LEU 22 HD13 LEU 22 1.465 2.640 3.506 179 1HD2 LEU 22 HD21 LEU 22 -1.107 4.555 2.243 180 2HD2 LEU 22 HD22 LEU 22 -2.117 4.543 3.709 181 3HD2 LEU 22 HD23 LEU 22 -0.426 5.089 3.798 182 H VAL 23 HN VAL 23 0.335 1.206 5.053 183 HA VAL 23 HA VAL 23 1.266 -1.233 4.319 184 HB VAL 23 HB VAL 23 2.702 0.568 4.948 185 1HG1 VAL 23 HG11 VAL 23 1.008 1.168 6.932 186 2HG1 VAL 23 HG12 VAL 23 2.226 0.280 7.879 187 3HG1 VAL 23 HG13 VAL 23 2.704 1.706 6.927 188 1HG2 VAL 23 HG21 VAL 23 3.790 -1.526 5.157 189 2HG2 VAL 23 HG22 VAL 23 4.220 -0.614 6.624 190 3HG2 VAL 23 HG23 VAL 23 2.976 -1.886 6.699 191 H GLN 24 HN GLN 24 -0.028 -0.309 7.584 192 HA GLN 24 HA GLN 24 0.316 -2.700 8.802 193 1HB GLN 24 HB2 GLN 24 -1.296 -1.964 10.408 194 2HB GLN 24 HB3 GLN 24 -0.550 -0.506 9.785 195 1HG GLN 24 HG2 GLN 24 -2.484 0.215 8.776 196 2HG GLN 24 HG3 GLN 24 -2.918 -1.390 8.223 197 1HE2 GLN 24 HE21 GLN 24 -4.963 -1.537 8.874 198 2HE2 GLN 24 HE22 GLN 24 -5.518 -1.454 10.513 199 H THR 25 HN THR 25 -2.250 -1.692 6.508 200 HA THR 25 HA THR 25 -3.670 -4.194 6.860 201 HB THR 25 HB THR 25 -4.126 -1.503 5.721 202 HG1 THR 25 HG1 THR 25 -6.295 -2.293 6.379 203 1HG2 THR 25 HG21 THR 25 -6.002 -2.581 4.222 204 2HG2 THR 25 HG22 THR 25 -4.360 -2.463 3.545 205 3HG2 THR 25 HG23 THR 25 -4.943 -4.012 4.200 206 H ALA 26 HN ALA 26 -1.254 -2.751 4.711 207 HA ALA 26 HA ALA 26 -1.630 -4.799 2.720 208 1HB ALA 26 HB1 ALA 26 0.442 -3.658 1.757 209 2HB ALA 26 HB2 ALA 26 -0.999 -2.628 1.936 210 3HB ALA 26 HB3 ALA 26 0.331 -2.512 3.114 211 H SER 27 HN SER 27 0.456 -4.091 5.532 212 HA SER 27 HA SER 27 2.108 -6.360 4.875 213 1HB SER 27 HB2 SER 27 2.838 -4.020 5.903 214 2HB SER 27 HB3 SER 27 2.364 -4.752 7.423 215 HG SER 27 HG SER 27 3.830 -6.568 6.865 216 H LYS 28 HN LYS 28 -0.438 -7.276 5.228 217 HA LYS 28 HA LYS 28 -0.162 -8.852 7.612 218 1HB LYS 28 HB2 LYS 28 -2.490 -8.261 8.407 219 2HB LYS 28 HB3 LYS 28 -1.248 -7.059 8.695 220 1HG LYS 28 HG2 LYS 28 -3.051 -5.788 7.827 221 2HG LYS 28 HG3 LYS 28 -1.993 -5.987 6.444 222 1HD LYS 28 HD2 LYS 28 -4.208 -6.489 5.655 223 2HD LYS 28 HD3 LYS 28 -3.385 -8.030 5.782 224 1HE LYS 28 HE2 LYS 28 -5.597 -8.287 6.762 225 2HE LYS 28 HE3 LYS 28 -4.426 -8.358 8.064 226 1HZ LYS 28 HZ1 LYS 28 -5.369 -5.723 7.462 227 2HZ LYS 28 HZ2 LYS 28 -6.521 -6.733 8.026 228 3HZ LYS 28 HZ3 LYS 28 -5.175 -6.456 8.908 229 H PHE 29 HN PHE 29 -0.185 -9.021 4.584 230 HA PHE 29 HA PHE 29 -2.438 -10.896 4.388 231 1HB PHE 29 HB2 PHE 29 -1.012 -9.178 2.268 232 2HB PHE 29 HB3 PHE 29 -2.318 -10.291 1.913 233 HD1 PHE 29 HD1 PHE 29 -4.105 -9.678 4.258 234 HD2 PHE 29 HD2 PHE 29 -1.958 -7.129 1.632 235 HE1 PHE 29 HE1 PHE 29 -5.775 -7.850 4.668 236 HE2 PHE 29 HE2 PHE 29 -3.628 -5.300 2.041 237 HZ PHE 29 HZ PHE 29 -5.516 -5.682 3.554 238 H ASN 30 HN ASN 30 -2.013 -12.959 3.581 239 HA ASN 30 HA ASN 30 0.645 -13.802 3.767 240 1HB ASN 30 HB2 ASN 30 -2.014 -15.021 3.096 241 2HB ASN 30 HB3 ASN 30 -0.622 -15.878 2.465 242 1HD2 ASN 30 HD21 ASN 30 -2.696 -15.829 4.914 243 2HD2 ASN 30 HD22 ASN 30 -1.742 -16.438 6.225 244 H SER 31 HN SER 31 -0.878 -12.001 1.399 245 HA SER 31 HA SER 31 0.429 -13.372 -0.799 246 1HB SER 31 HB2 SER 31 -1.862 -11.448 -0.554 247 2HB SER 31 HB3 SER 31 -0.905 -11.352 -2.019 248 HG SER 31 HG SER 31 -1.626 -13.968 -1.229 249 H ASP 32 HN ASP 32 1.203 -11.546 -2.566 250 HA ASP 32 HA ASP 32 3.168 -10.049 -1.092 251 1HB ASP 32 HB2 ASP 32 2.875 -11.172 -3.813 252 2HB ASP 32 HB3 ASP 32 3.550 -9.555 -3.829 253 H ILE 33 HN ILE 33 2.064 -8.166 -0.317 254 HA ILE 33 HA ILE 33 0.845 -6.503 -2.411 255 HB ILE 33 HB ILE 33 -0.711 -7.489 -0.698 256 1HG1 ILE 33 HG12 ILE 33 -0.899 -5.235 -2.063 257 2HG1 ILE 33 HG13 ILE 33 -2.096 -5.684 -0.864 258 1HG2 ILE 33 HG21 ILE 33 0.068 -7.473 1.404 259 2HG2 ILE 33 HG22 ILE 33 1.180 -6.118 1.094 260 3HG2 ILE 33 HG23 ILE 33 -0.537 -5.799 1.440 261 1HD1 ILE 33 HD11 ILE 33 -1.313 -4.134 0.715 262 2HD1 ILE 33 HD12 ILE 33 0.322 -4.093 0.012 263 3HD1 ILE 33 HD13 ILE 33 -1.023 -3.266 -0.812 264 H ASN 34 HN ASN 34 1.811 -4.574 -2.792 265 HA ASN 34 HA ASN 34 3.446 -3.503 -0.647 266 1HB ASN 34 HB2 ASN 34 4.313 -3.662 -3.583 267 2HB ASN 34 HB3 ASN 34 5.239 -2.930 -2.287 268 1HD2 ASN 34 HD21 ASN 34 6.407 -4.827 -3.759 269 2HD2 ASN 34 HD22 ASN 34 6.607 -6.308 -2.883 270 H LEU 35 HN LEU 35 4.242 -1.120 -1.573 271 HA LEU 35 HA LEU 35 1.908 0.052 -2.918 272 1HB LEU 35 HB2 LEU 35 1.573 1.478 -1.268 273 2HB LEU 35 HB3 LEU 35 2.582 0.427 -0.293 274 HG LEU 35 HG LEU 35 4.559 1.811 -0.867 275 1HD1 LEU 35 HD11 LEU 35 4.507 3.163 -2.623 276 2HD1 LEU 35 HD12 LEU 35 2.754 2.918 -2.814 277 3HD1 LEU 35 HD13 LEU 35 3.362 4.209 -1.749 278 1HD2 LEU 35 HD21 LEU 35 2.178 3.030 0.513 279 2HD2 LEU 35 HD22 LEU 35 3.659 2.331 1.212 280 3HD2 LEU 35 HD23 LEU 35 3.721 3.910 0.391 281 H GLU 36 HN GLU 36 2.319 1.519 -4.565 282 HA GLU 36 HA GLU 36 5.157 1.951 -5.089 283 1HB GLU 36 HB2 GLU 36 4.244 0.350 -6.708 284 2HB GLU 36 HB3 GLU 36 2.908 1.422 -7.079 285 1HG GLU 36 HG2 GLU 36 5.711 2.493 -7.404 286 2HG GLU 36 HG3 GLU 36 5.124 1.354 -8.600 287 H TYR 37 HN TYR 37 5.743 4.077 -5.062 288 HA TYR 37 HA TYR 37 3.658 6.039 -5.734 289 1HB TYR 37 HB2 TYR 37 4.054 5.953 -3.277 290 2HB TYR 37 HB3 TYR 37 5.789 5.913 -3.517 291 HD1 TYR 37 HD1 TYR 37 6.051 7.813 -1.964 292 HD2 TYR 37 HD2 TYR 37 3.784 8.186 -5.574 293 HE1 TYR 37 HE1 TYR 37 6.134 10.346 -1.763 294 HE2 TYR 37 HE2 TYR 37 3.875 10.717 -5.361 295 HH TYR 37 HH TYR 37 4.148 12.333 -3.214 296 H LYS 38 HN LYS 38 4.242 7.488 -7.285 297 HA LYS 38 HA LYS 38 5.502 8.719 -8.626 298 1HB LYS 38 HB2 LYS 38 7.865 7.988 -6.871 299 2HB LYS 38 HB3 LYS 38 7.813 9.272 -8.062 300 1HG LYS 38 HG2 LYS 38 5.618 9.963 -6.608 301 2HG LYS 38 HG3 LYS 38 6.520 9.135 -5.354 302 1HD LYS 38 HD2 LYS 38 7.675 11.364 -7.095 303 2HD LYS 38 HD3 LYS 38 6.995 11.622 -5.501 304 1HE LYS 38 HE2 LYS 38 9.120 9.500 -5.780 305 2HE LYS 38 HE3 LYS 38 9.630 11.174 -5.872 306 1HZ LYS 38 HZ1 LYS 38 9.308 9.884 -3.606 307 2HZ LYS 38 HZ2 LYS 38 9.137 11.504 -3.729 308 3HZ LYS 38 HZ3 LYS 38 7.818 10.541 -3.729 309 H GLY 39 HN GLY 39 5.758 5.398 -8.104 310 1HA GLY 39 HA1 GLY 39 5.848 4.151 -10.223 311 2HA GLY 39 HA2 GLY 39 7.299 5.055 -10.608 312 H LYS 40 HN LYS 40 7.263 4.571 -7.251 313 HA LYS 40 HA LYS 40 9.049 2.270 -7.566 314 1HB LYS 40 HB2 LYS 40 10.185 4.163 -6.652 315 2HB LYS 40 HB3 LYS 40 8.902 4.475 -5.500 316 1HG LYS 40 HG2 LYS 40 9.369 2.288 -4.380 317 2HG LYS 40 HG3 LYS 40 10.644 1.964 -5.538 318 1HD LYS 40 HD2 LYS 40 12.099 3.101 -4.226 319 2HD LYS 40 HD3 LYS 40 11.184 4.569 -4.505 320 1HE LYS 40 HE2 LYS 40 9.694 3.059 -2.585 321 2HE LYS 40 HE3 LYS 40 11.369 2.970 -2.079 322 1HZ LYS 40 HZ1 LYS 40 10.943 4.963 -1.232 323 2HZ LYS 40 HZ2 LYS 40 11.121 5.537 -2.750 324 3HZ LYS 40 HZ3 LYS 40 9.629 5.231 -2.163 325 H SER 41 HN SER 41 8.151 0.335 -7.127 326 HA SER 41 HA SER 41 5.980 0.342 -5.186 327 1HB SER 41 HB2 SER 41 4.995 -1.436 -6.338 328 2HB SER 41 HB3 SER 41 5.716 -0.529 -7.653 329 HG SER 41 HG SER 41 6.946 -2.213 -8.113 330 H VAL 42 HN VAL 42 6.582 -0.350 -3.168 331 HA VAL 42 HA VAL 42 8.328 -2.668 -3.000 332 HB VAL 42 HB VAL 42 9.979 -1.696 -1.756 333 1HG1 VAL 42 HG11 VAL 42 10.567 0.541 -2.812 334 2HG1 VAL 42 HG12 VAL 42 10.274 -0.805 -3.940 335 3HG1 VAL 42 HG13 VAL 42 9.020 0.432 -3.686 336 1HG2 VAL 42 HG21 VAL 42 9.827 0.239 -0.387 337 2HG2 VAL 42 HG22 VAL 42 8.332 0.780 -1.186 338 3HG2 VAL 42 HG23 VAL 42 8.311 -0.660 -0.140 339 H ASN 43 HN ASN 43 8.050 -3.853 -1.022 340 HA ASN 43 HA ASN 43 5.567 -4.090 -0.125 341 1HB ASN 43 HB2 ASN 43 7.829 -4.348 1.888 342 2HB ASN 43 HB3 ASN 43 6.454 -5.409 1.656 343 1HD2 ASN 43 HD21 ASN 43 9.686 -5.042 1.178 344 2HD2 ASN 43 HD22 ASN 43 9.970 -6.175 -0.101 345 H LEU 44 HN LEU 44 4.534 -1.994 0.206 346 HA LEU 44 HA LEU 44 5.127 0.226 1.301 347 1HB LEU 44 HB2 LEU 44 2.922 -0.665 2.905 348 2HB LEU 44 HB3 LEU 44 2.954 0.467 1.568 349 HG LEU 44 HG LEU 44 2.839 -1.508 -0.002 350 1HD1 LEU 44 HD11 LEU 44 2.123 -3.658 0.837 351 2HD1 LEU 44 HD12 LEU 44 3.666 -3.201 1.599 352 3HD1 LEU 44 HD13 LEU 44 2.145 -3.051 2.511 353 1HD2 LEU 44 HD21 LEU 44 0.565 -0.989 1.927 354 2HD2 LEU 44 HD22 LEU 44 0.879 -0.191 0.367 355 3HD2 LEU 44 HD23 LEU 44 0.401 -1.905 0.410 356 H LYS 45 HN LYS 45 5.129 -2.815 3.201 357 HA LYS 45 HA LYS 45 5.622 -1.592 5.681 358 1HB LYS 45 HB2 LYS 45 6.367 -3.903 6.329 359 2HB LYS 45 HB3 LYS 45 4.755 -3.800 5.650 360 1HG LYS 45 HG2 LYS 45 6.594 -4.168 3.460 361 2HG LYS 45 HG3 LYS 45 7.008 -5.338 4.696 362 1HD LYS 45 HD2 LYS 45 4.095 -5.139 4.343 363 2HD LYS 45 HD3 LYS 45 4.894 -5.533 2.835 364 1HE LYS 45 HE2 LYS 45 5.428 -7.018 5.450 365 2HE LYS 45 HE3 LYS 45 4.243 -7.543 4.271 366 1HZ LYS 45 HZ1 LYS 45 6.271 -7.303 2.686 367 2HZ LYS 45 HZ2 LYS 45 7.132 -7.514 4.057 368 3HZ LYS 45 HZ3 LYS 45 6.067 -8.656 3.578 369 H SER 46 HN SER 46 7.432 -1.442 2.895 370 HA SER 46 HA SER 46 9.976 -1.801 4.170 371 1HB SER 46 HB2 SER 46 9.409 -2.396 1.725 372 2HB SER 46 HB3 SER 46 9.436 -0.675 1.394 373 HG SER 46 HG SER 46 11.589 -2.411 2.141 374 H ILE 47 HN ILE 47 9.460 -0.078 5.844 375 HA ILE 47 HA ILE 47 8.865 2.497 5.433 376 HB ILE 47 HB ILE 47 10.003 0.955 7.467 377 1HG1 ILE 47 HG12 ILE 47 9.165 2.683 8.915 378 2HG1 ILE 47 HG13 ILE 47 9.192 3.868 7.624 379 1HG2 ILE 47 HG21 ILE 47 11.606 2.688 8.440 380 2HG2 ILE 47 HG22 ILE 47 12.214 1.666 7.116 381 3HG2 ILE 47 HG23 ILE 47 11.718 3.344 6.790 382 1HD1 ILE 47 HD11 ILE 47 7.262 3.067 6.648 383 2HD1 ILE 47 HD12 ILE 47 7.628 1.377 7.069 384 3HD1 ILE 47 HD13 ILE 47 6.961 2.476 8.300 385 H MET 48 HN MET 48 12.258 1.193 5.299 386 HA MET 48 HA MET 48 13.585 3.379 4.628 387 1HB MET 48 HB2 MET 48 14.766 1.592 2.904 388 2HB MET 48 HB3 MET 48 15.001 1.535 4.639 389 1HG MET 48 HG2 MET 48 13.627 -0.322 4.914 390 2HG MET 48 HG3 MET 48 12.558 0.135 3.603 391 1HE MET 48 HE1 MET 48 14.640 -0.793 0.438 392 2HE MET 48 HE2 MET 48 12.998 -0.444 1.031 393 3HE MET 48 HE3 MET 48 14.296 0.755 1.248 394 H GLY 49 HN GLY 49 12.397 1.144 2.010 395 1HA GLY 49 HA1 GLY 49 12.771 2.912 -0.095 396 2HA GLY 49 HA2 GLY 49 11.663 1.555 -0.073 397 H VAL 50 HN VAL 50 9.770 2.224 1.842 398 HA VAL 50 HA VAL 50 8.155 4.019 0.444 399 HB VAL 50 HB VAL 50 8.029 2.297 2.752 400 1HG1 VAL 50 HG11 VAL 50 7.882 4.254 4.136 401 2HG1 VAL 50 HG12 VAL 50 6.714 5.017 3.031 402 3HG1 VAL 50 HG13 VAL 50 6.242 3.581 3.970 403 1HG2 VAL 50 HG21 VAL 50 6.691 1.819 0.860 404 2HG2 VAL 50 HG22 VAL 50 5.555 2.369 2.115 405 3HG2 VAL 50 HG23 VAL 50 6.034 3.473 0.803 406 H MET 51 HN MET 51 10.073 4.383 3.499 407 HA MET 51 HA MET 51 9.362 6.807 4.286 408 1HB MET 51 HB2 MET 51 12.019 5.365 4.131 409 2HB MET 51 HB3 MET 51 12.050 7.037 4.653 410 1HG MET 51 HG2 MET 51 10.372 4.819 5.924 411 2HG MET 51 HG3 MET 51 11.851 5.482 6.592 412 1HE MET 51 HE1 MET 51 10.340 9.360 6.355 413 2HE MET 51 HE2 MET 51 11.800 8.423 5.956 414 3HE MET 51 HE3 MET 51 10.405 8.410 4.851 415 H SER 52 HN SER 52 11.927 6.205 1.775 416 HA SER 52 HA SER 52 12.379 8.866 1.239 417 1HB SER 52 HB2 SER 52 13.788 8.088 -0.414 418 2HB SER 52 HB3 SER 52 13.568 6.591 0.471 419 HG SER 52 HG SER 52 11.517 6.801 -1.295 420 H LEU 53 HN LEU 53 9.731 6.732 0.366 421 HA LEU 53 HA LEU 53 8.872 8.475 -1.793 422 1HB LEU 53 HB2 LEU 53 8.547 5.717 -1.090 423 2HB LEU 53 HB3 LEU 53 6.965 6.461 -1.210 424 HG LEU 53 HG LEU 53 7.288 7.066 -3.478 425 1HD1 LEU 53 HD11 LEU 53 10.079 7.099 -2.769 426 2HD1 LEU 53 HD12 LEU 53 9.829 6.119 -4.234 427 3HD1 LEU 53 HD13 LEU 53 9.257 7.804 -4.182 428 1HD2 LEU 53 HD21 LEU 53 7.054 4.533 -2.763 429 2HD2 LEU 53 HD22 LEU 53 7.257 5.005 -4.468 430 3HD2 LEU 53 HD23 LEU 53 8.652 4.407 -3.537 431 H GLY 54 HN GLY 54 6.687 6.896 0.552 432 1HA GLY 54 HA1 GLY 54 5.033 7.736 1.821 433 2HA GLY 54 HA2 GLY 54 6.171 8.991 2.272 434 H VAL 55 HN VAL 55 3.156 8.424 0.897 435 HA VAL 55 HA VAL 55 3.293 10.818 -0.785 436 HB VAL 55 HB VAL 55 0.791 9.677 -1.080 437 1HG1 VAL 55 HG11 VAL 55 1.388 9.627 -3.260 438 2HG1 VAL 55 HG12 VAL 55 2.851 10.459 -2.681 439 3HG1 VAL 55 HG13 VAL 55 2.873 8.698 -2.942 440 1HG2 VAL 55 HG21 VAL 55 1.107 7.305 -1.428 441 2HG2 VAL 55 HG22 VAL 55 2.829 7.428 -0.993 442 3HG2 VAL 55 HG23 VAL 55 1.577 7.712 0.240 443 H GLY 56 HN GLY 56 0.708 11.731 -0.706 444 1HA GLY 56 HA1 GLY 56 -0.677 11.865 1.633 445 2HA GLY 56 HA2 GLY 56 0.635 13.001 1.873 446 H GLN 57 HN GLN 57 0.687 14.981 0.737 447 HA GLN 57 HA GLN 57 -1.536 16.236 0.146 448 1HB GLN 57 HB2 GLN 57 1.276 16.531 -0.667 449 2HB GLN 57 HB3 GLN 57 0.181 17.242 -1.836 450 1HG GLN 57 HG2 GLN 57 -0.836 18.669 -0.165 451 2HG GLN 57 HG3 GLN 57 -0.084 17.788 1.150 452 1HE2 GLN 57 HE21 GLN 57 2.170 17.935 1.479 453 2HE2 GLN 57 HE22 GLN 57 3.088 19.297 0.930 454 H GLY 58 HN GLY 58 -3.144 14.875 -0.822 455 1HA GLY 58 HA1 GLY 58 -4.169 13.710 -2.483 456 2HA GLY 58 HA2 GLY 58 -3.779 15.153 -3.397 457 H SER 59 HN SER 59 -1.027 13.351 -2.208 458 HA SER 59 HA SER 59 0.067 13.010 -4.670 459 1HB SER 59 HB2 SER 59 0.530 11.159 -2.294 460 2HB SER 59 HB3 SER 59 1.659 11.506 -3.589 461 HG SER 59 HG SER 59 0.659 13.428 -1.661 462 H ASP 60 HN ASP 60 0.748 10.641 -5.527 463 HA ASP 60 HA ASP 60 -1.635 8.975 -5.442 464 1HB ASP 60 HB2 ASP 60 -1.525 8.612 -7.841 465 2HB ASP 60 HB3 ASP 60 -1.554 10.341 -7.559 466 H VAL 61 HN VAL 61 -1.150 6.663 -5.735 467 HA VAL 61 HA VAL 61 1.618 5.922 -6.124 468 HB VAL 61 HB VAL 61 1.648 4.579 -4.046 469 1HG1 VAL 61 HG11 VAL 61 2.345 6.346 -2.628 470 2HG1 VAL 61 HG12 VAL 61 2.648 6.912 -4.288 471 3HG1 VAL 61 HG13 VAL 61 1.230 7.505 -3.391 472 1HG2 VAL 61 HG21 VAL 61 -0.898 4.604 -3.806 473 2HG2 VAL 61 HG22 VAL 61 0.052 4.827 -2.318 474 3HG2 VAL 61 HG23 VAL 61 -0.708 6.230 -3.107 475 H THR 62 HN THR 62 1.636 3.300 -5.783 476 HA THR 62 HA THR 62 -0.869 2.244 -6.881 477 HB THR 62 HB THR 62 1.825 2.450 -8.190 478 HG1 THR 62 HG1 THR 62 0.305 3.216 -9.601 479 1HG2 THR 62 HG21 THR 62 1.945 0.104 -8.252 480 2HG2 THR 62 HG22 THR 62 0.188 -0.088 -8.040 481 3HG2 THR 62 HG23 THR 62 0.847 0.391 -9.623 482 H ILE 63 HN ILE 63 -1.536 0.452 -5.871 483 HA ILE 63 HA ILE 63 0.388 -0.792 -4.059 484 HB ILE 63 HB ILE 63 -2.194 0.093 -3.697 485 1HG1 ILE 63 HG12 ILE 63 -1.814 -1.680 -1.628 486 2HG1 ILE 63 HG13 ILE 63 -0.175 -1.443 -2.200 487 1HG2 ILE 63 HG21 ILE 63 -2.768 -2.085 -5.040 488 2HG2 ILE 63 HG22 ILE 63 -2.440 -2.886 -3.485 489 3HG2 ILE 63 HG23 ILE 63 -3.704 -1.638 -3.594 490 1HD1 ILE 63 HD11 ILE 63 -1.983 0.956 -1.812 491 2HD1 ILE 63 HD12 ILE 63 -1.159 0.219 -0.417 492 3HD1 ILE 63 HD13 ILE 63 -0.205 0.876 -1.768 493 H THR 64 HN THR 64 0.387 -3.194 -3.889 494 HA THR 64 HA THR 64 -0.540 -4.542 -6.309 495 HB THR 64 HB THR 64 2.312 -4.938 -5.334 496 HG1 THR 64 HG1 THR 64 1.404 -3.117 -7.429 497 1HG2 THR 64 HG21 THR 64 2.336 -6.292 -7.175 498 2HG2 THR 64 HG22 THR 64 0.667 -5.823 -7.578 499 3HG2 THR 64 HG23 THR 64 2.033 -4.853 -8.177 500 H VAL 65 HN VAL 65 -0.969 -6.748 -6.058 501 HA VAL 65 HA VAL 65 -0.433 -7.883 -3.437 502 HB VAL 65 HB VAL 65 -2.685 -6.612 -3.534 503 1HG1 VAL 65 HG11 VAL 65 -3.063 -8.565 -5.640 504 2HG1 VAL 65 HG12 VAL 65 -4.277 -8.782 -4.356 505 3HG1 VAL 65 HG13 VAL 65 -4.101 -7.202 -5.157 506 1HG2 VAL 65 HG21 VAL 65 -2.516 -7.801 -1.603 507 2HG2 VAL 65 HG22 VAL 65 -3.757 -8.805 -2.391 508 3HG2 VAL 65 HG23 VAL 65 -2.049 -9.303 -2.437 509 H ASP 66 HN ASP 66 0.283 -9.939 -3.689 510 HA ASP 66 HA ASP 66 -0.706 -11.388 -5.996 511 1HB ASP 66 HB2 ASP 66 1.312 -11.160 -7.019 512 2HB ASP 66 HB3 ASP 66 2.014 -10.406 -5.602 513 H GLY 67 HN GLY 67 -0.947 -13.651 -5.538 514 1HA GLY 67 HA1 GLY 67 -0.029 -15.526 -4.207 515 2HA GLY 67 HA2 GLY 67 -0.149 -14.476 -2.809 516 H ALA 68 HN ALA 68 -1.672 -15.679 -1.625 517 HA ALA 68 HA ALA 68 -4.141 -16.425 -2.949 518 1HB ALA 68 HB1 ALA 68 -2.717 -17.800 -1.224 519 2HB ALA 68 HB2 ALA 68 -3.534 -16.783 -0.013 520 3HB ALA 68 HB3 ALA 68 -4.493 -17.816 -1.102 521 H ASP 69 HN ASP 69 -3.009 -14.377 -0.175 522 HA ASP 69 HA ASP 69 -5.446 -13.413 0.550 523 1HB ASP 69 HB2 ASP 69 -2.630 -12.665 0.883 524 2HB ASP 69 HB3 ASP 69 -3.638 -11.235 0.790 525 H GLU 70 HN GLU 70 -3.277 -12.553 -2.159 526 HA GLU 70 HA GLU 70 -3.511 -10.364 -3.169 527 1HB GLU 70 HB2 GLU 70 -4.641 -11.220 -5.340 528 2HB GLU 70 HB3 GLU 70 -3.209 -12.062 -4.782 529 1HG GLU 70 HG2 GLU 70 -4.420 -13.980 -4.808 530 2HG GLU 70 HG3 GLU 70 -5.319 -13.361 -3.437 531 H ALA 71 HN ALA 71 -6.688 -12.127 -3.422 532 HA ALA 71 HA ALA 71 -8.217 -9.897 -3.918 533 1HB ALA 71 HB1 ALA 71 -8.600 -12.629 -3.622 534 2HB ALA 71 HB2 ALA 71 -9.542 -11.948 -2.274 535 3HB ALA 71 HB3 ALA 71 -9.877 -11.432 -3.945 536 H GLU 72 HN GLU 72 -8.269 -11.645 -0.736 537 HA GLU 72 HA GLU 72 -9.411 -9.627 0.658 538 1HB GLU 72 HB2 GLU 72 -7.544 -10.930 2.409 539 2HB GLU 72 HB3 GLU 72 -9.269 -11.205 2.263 540 1HG GLU 72 HG2 GLU 72 -8.898 -12.816 0.424 541 2HG GLU 72 HG3 GLU 72 -7.178 -12.481 0.438 542 H GLY 73 HN GLY 73 -5.879 -10.258 0.150 543 1HA GLY 73 HA1 GLY 73 -4.744 -8.367 1.740 544 2HA GLY 73 HA2 GLY 73 -4.131 -8.834 0.166 545 H MET 74 HN MET 74 -4.993 -7.678 -1.791 546 HA MET 74 HA MET 74 -4.825 -4.969 -1.466 547 1HB MET 74 HB2 MET 74 -5.765 -4.933 -3.850 548 2HB MET 74 HB3 MET 74 -4.424 -6.039 -3.628 549 1HG MET 74 HG2 MET 74 -5.720 -7.779 -4.296 550 2HG MET 74 HG3 MET 74 -6.837 -7.478 -2.980 551 1HE MET 74 HE1 MET 74 -8.804 -7.090 -3.084 552 2HE MET 74 HE2 MET 74 -9.371 -5.534 -3.737 553 3HE MET 74 HE3 MET 74 -9.805 -7.054 -4.555 554 H ALA 75 HN ALA 75 -7.660 -7.129 -1.361 555 HA ALA 75 HA ALA 75 -9.723 -5.433 -1.821 556 1HB ALA 75 HB1 ALA 75 -9.266 -7.791 -0.020 557 2HB ALA 75 HB2 ALA 75 -10.781 -6.874 0.160 558 3HB ALA 75 HB3 ALA 75 -10.369 -7.613 -1.406 559 H ALA 76 HN ALA 76 -8.021 -5.932 1.352 560 HA ALA 76 HA ALA 76 -9.478 -3.944 2.689 561 1HB ALA 76 HB1 ALA 76 -7.443 -5.861 3.238 562 2HB ALA 76 HB2 ALA 76 -6.827 -4.280 3.775 563 3HB ALA 76 HB3 ALA 76 -8.377 -4.891 4.401 564 H ILE 77 HN ILE 77 -6.103 -3.911 1.325 565 HA ILE 77 HA ILE 77 -5.498 -1.312 1.837 566 HB ILE 77 HB ILE 77 -4.615 -3.404 0.023 567 1HG1 ILE 77 HG12 ILE 77 -3.346 -2.980 1.964 568 2HG1 ILE 77 HG13 ILE 77 -2.386 -2.370 0.630 569 1HG2 ILE 77 HG21 ILE 77 -5.258 -1.513 -1.578 570 2HG2 ILE 77 HG22 ILE 77 -3.909 -0.605 -0.854 571 3HG2 ILE 77 HG23 ILE 77 -3.599 -2.152 -1.678 572 1HD1 ILE 77 HD11 ILE 77 -3.987 -0.172 1.353 573 2HD1 ILE 77 HD12 ILE 77 -3.533 -0.919 2.904 574 3HD1 ILE 77 HD13 ILE 77 -2.270 -0.406 1.759 575 H VAL 78 HN VAL 78 -7.102 -2.581 -1.169 576 HA VAL 78 HA VAL 78 -7.504 -0.143 -2.375 577 HB VAL 78 HB VAL 78 -9.422 -2.470 -2.468 578 1HG1 VAL 78 HG11 VAL 78 -10.373 -1.034 -3.933 579 2HG1 VAL 78 HG12 VAL 78 -8.884 -0.077 -4.127 580 3HG1 VAL 78 HG13 VAL 78 -9.087 -1.599 -5.027 581 1HG2 VAL 78 HG21 VAL 78 -7.450 -2.677 -4.523 582 2HG2 VAL 78 HG22 VAL 78 -6.606 -2.536 -2.962 583 3HG2 VAL 78 HG23 VAL 78 -7.812 -3.821 -3.208 584 H GLU 79 HN GLU 79 -9.886 -1.996 -0.339 585 HA GLU 79 HA GLU 79 -11.775 -0.028 -0.281 586 1HB GLU 79 HB2 GLU 79 -11.165 -2.483 1.212 587 2HB GLU 79 HB3 GLU 79 -11.953 -1.291 2.227 588 1HG GLU 79 HG2 GLU 79 -13.263 -1.340 -0.368 589 2HG GLU 79 HG3 GLU 79 -13.153 -2.977 0.247 590 H THR 80 HN THR 80 -9.015 -0.621 1.988 591 HA THR 80 HA THR 80 -9.630 1.456 3.762 592 HB THR 80 HB THR 80 -7.610 -0.558 3.332 593 HG1 THR 80 HG1 THR 80 -7.475 -0.110 5.625 594 1HG2 THR 80 HG21 THR 80 -6.612 2.273 3.412 595 2HG2 THR 80 HG22 THR 80 -5.874 1.150 4.580 596 3HG2 THR 80 HG23 THR 80 -5.791 0.803 2.836 597 H LEU 81 HN LEU 81 -7.482 1.395 0.851 598 HA LEU 81 HA LEU 81 -6.444 3.886 1.008 599 1HB LEU 81 HB2 LEU 81 -7.329 2.192 -1.303 600 2HB LEU 81 HB3 LEU 81 -6.686 3.797 -1.584 601 HG LEU 81 HG LEU 81 -5.256 1.406 -1.295 602 1HD1 LEU 81 HD11 LEU 81 -4.820 3.691 -2.507 603 2HD1 LEU 81 HD12 LEU 81 -3.901 4.065 -1.029 604 3HD1 LEU 81 HD13 LEU 81 -3.462 2.650 -2.015 605 1HD2 LEU 81 HD21 LEU 81 -5.557 1.729 1.186 606 2HD2 LEU 81 HD22 LEU 81 -3.872 1.621 0.624 607 3HD2 LEU 81 HD23 LEU 81 -4.571 3.204 1.039 608 H GLN 82 HN GLN 82 -9.717 2.968 -0.224 609 HA GLN 82 HA GLN 82 -10.319 5.786 -0.452 610 1HB GLN 82 HB2 GLN 82 -12.559 4.774 -1.361 611 2HB GLN 82 HB3 GLN 82 -11.118 4.671 -2.352 612 1HG GLN 82 HG2 GLN 82 -10.850 2.373 -1.989 613 2HG GLN 82 HG3 GLN 82 -11.633 2.416 -0.422 614 1HE2 GLN 82 HE21 GLN 82 -13.986 3.568 -0.786 615 2HE2 GLN 82 HE22 GLN 82 -14.992 2.702 -1.899 616 H LYS 83 HN LYS 83 -10.531 3.217 1.811 617 HA LYS 83 HA LYS 83 -12.990 4.095 3.021 618 1HB LYS 83 HB2 LYS 83 -12.952 1.981 3.706 619 2HB LYS 83 HB3 LYS 83 -11.325 1.765 3.092 620 1HG LYS 83 HG2 LYS 83 -10.361 2.638 5.185 621 2HG LYS 83 HG3 LYS 83 -11.953 3.048 5.792 622 1HD LYS 83 HD2 LYS 83 -10.741 0.744 6.464 623 2HD LYS 83 HD3 LYS 83 -12.483 0.853 6.310 624 1HE LYS 83 HE2 LYS 83 -12.262 0.108 3.891 625 2HE LYS 83 HE3 LYS 83 -10.545 -0.119 4.157 626 1HZ LYS 83 HZ1 LYS 83 -11.539 -2.169 4.537 627 2HZ LYS 83 HZ2 LYS 83 -11.235 -1.602 6.038 628 3HZ LYS 83 HZ3 LYS 83 -12.753 -1.553 5.439 629 H GLU 84 HN GLU 84 -9.449 4.425 3.529 630 HA GLU 84 HA GLU 84 -9.997 6.038 5.865 631 1HB GLU 84 HB2 GLU 84 -7.228 5.479 4.781 632 2HB GLU 84 HB3 GLU 84 -7.720 5.764 6.439 633 1HG GLU 84 HG2 GLU 84 -8.613 3.315 4.854 634 2HG GLU 84 HG3 GLU 84 -7.161 3.329 5.834 635 H GLY 85 HN GLY 85 -10.336 6.647 2.749 636 1HA GLY 85 HA1 GLY 85 -10.208 8.470 1.444 637 2HA GLY 85 HA2 GLY 85 -9.983 9.406 2.908 638 H LEU 86 HN LEU 86 -7.591 6.958 2.699 639 HA LEU 86 HA LEU 86 -5.544 8.872 2.323 640 1HB LEU 86 HB2 LEU 86 -5.818 6.096 3.093 641 2HB LEU 86 HB3 LEU 86 -4.476 6.304 1.985 642 HG LEU 86 HG LEU 86 -4.843 7.930 4.514 643 1HD1 LEU 86 HD11 LEU 86 -2.629 6.141 4.693 644 2HD1 LEU 86 HD12 LEU 86 -4.087 6.226 5.711 645 3HD1 LEU 86 HD13 LEU 86 -4.076 5.201 4.255 646 1HD2 LEU 86 HD21 LEU 86 -3.023 9.094 3.954 647 2HD2 LEU 86 HD22 LEU 86 -2.150 7.642 3.407 648 3HD2 LEU 86 HD23 LEU 86 -3.280 8.468 2.307 649 H ALA 87 HN ALA 87 -7.266 6.552 0.224 650 HA ALA 87 HA ALA 87 -6.050 7.873 -2.060 651 1HB ALA 87 HB1 ALA 87 -5.372 5.182 -1.136 652 2HB ALA 87 HB2 ALA 87 -6.041 5.169 -2.786 653 3HB ALA 87 HB3 ALA 87 -4.618 6.169 -2.411 654 H GLU 88 HN GLU 88 -7.177 6.756 -4.149 655 HA GLU 88 HA GLU 88 -9.962 7.109 -3.612 656 1HB GLU 88 HB2 GLU 88 -8.432 6.614 -6.204 657 2HB GLU 88 HB3 GLU 88 -10.154 6.930 -6.127 658 1HG GLU 88 HG2 GLU 88 -9.422 9.070 -4.732 659 2HG GLU 88 HG3 GLU 88 -7.859 8.797 -5.477 660 H GLN 89 HN GLN 89 -11.340 5.494 -5.323 661 HA GLN 89 HA GLN 89 -11.427 3.109 -3.949 662 1HB GLN 89 HB2 GLN 89 -13.357 3.986 -5.162 663 2HB GLN 89 HB3 GLN 89 -12.512 3.873 -6.693 664 1HG GLN 89 HG2 GLN 89 -12.801 1.582 -6.853 665 2HG GLN 89 HG3 GLN 89 -12.658 1.331 -5.124 666 1HE2 GLN 89 HE21 GLN 89 -14.771 2.795 -7.575 667 2HE2 GLN 89 HE22 GLN 89 -16.284 2.408 -6.827 Start of MODEL 6 1 H MET 1 HN MET 1 0.097 -10.875 -7.538 2 HA MET 1 HA MET 1 -0.528 -12.310 -9.254 3 1HB MET 1 HB2 MET 1 -3.440 -11.846 -8.436 4 2HB MET 1 HB3 MET 1 -2.832 -13.064 -9.540 5 1HG MET 1 HG2 MET 1 -1.406 -13.749 -7.314 6 2HG MET 1 HG3 MET 1 -2.806 -13.037 -6.538 7 1HE MET 1 HE1 MET 1 -1.888 -16.813 -7.575 8 2HE MET 1 HE2 MET 1 -2.382 -16.555 -9.265 9 3HE MET 1 HE3 MET 1 -1.181 -15.478 -8.515 10 H GLU 2 HN GLU 2 -1.952 -9.299 -8.087 11 HA GLU 2 HA GLU 2 -1.613 -8.214 -10.723 12 1HB GLU 2 HB2 GLU 2 -4.288 -7.902 -9.297 13 2HB GLU 2 HB3 GLU 2 -3.861 -7.263 -10.872 14 1HG GLU 2 HG2 GLU 2 -3.464 -9.668 -11.647 15 2HG GLU 2 HG3 GLU 2 -4.116 -10.208 -10.113 16 H LYS 3 HN LYS 3 -2.042 -5.705 -10.623 17 HA LYS 3 HA LYS 3 -1.245 -4.771 -7.953 18 1HB LYS 3 HB2 LYS 3 0.599 -3.839 -8.778 19 2HB LYS 3 HB3 LYS 3 0.324 -4.749 -10.250 20 1HG LYS 3 HG2 LYS 3 -1.235 -2.800 -10.977 21 2HG LYS 3 HG3 LYS 3 -0.550 -1.895 -9.641 22 1HD LYS 3 HD2 LYS 3 0.744 -1.339 -11.609 23 2HD LYS 3 HD3 LYS 3 1.761 -2.342 -10.595 24 1HE LYS 3 HE2 LYS 3 1.665 -4.167 -12.044 25 2HE LYS 3 HE3 LYS 3 0.058 -3.770 -12.620 26 1HZ LYS 3 HZ1 LYS 3 1.450 -3.232 -14.356 27 2HZ LYS 3 HZ2 LYS 3 1.194 -1.776 -13.662 28 3HZ LYS 3 HZ3 LYS 3 2.600 -2.566 -13.407 29 H LYS 4 HN LYS 4 -2.428 -3.109 -7.095 30 HA LYS 4 HA LYS 4 -4.450 -1.955 -8.888 31 1HB LYS 4 HB2 LYS 4 -5.219 -3.530 -7.023 32 2HB LYS 4 HB3 LYS 4 -4.726 -2.284 -5.894 33 1HG LYS 4 HG2 LYS 4 -7.052 -1.880 -6.309 34 2HG LYS 4 HG3 LYS 4 -6.198 -0.646 -7.215 35 1HD LYS 4 HD2 LYS 4 -6.359 -2.105 -9.277 36 2HD LYS 4 HD3 LYS 4 -7.306 -3.256 -8.354 37 1HE LYS 4 HE2 LYS 4 -8.963 -1.380 -7.853 38 2HE LYS 4 HE3 LYS 4 -8.058 -0.357 -8.951 39 1HZ LYS 4 HZ1 LYS 4 -8.494 -1.903 -10.706 40 2HZ LYS 4 HZ2 LYS 4 -9.254 -2.936 -9.695 41 3HZ LYS 4 HZ3 LYS 4 -9.912 -1.477 -10.015 42 H GLU 5 HN GLU 5 -3.883 0.070 -9.469 43 HA GLU 5 HA GLU 5 -2.109 1.534 -7.775 44 1HB GLU 5 HB2 GLU 5 -3.472 2.473 -10.333 45 2HB GLU 5 HB3 GLU 5 -2.036 3.153 -9.594 46 1HG GLU 5 HG2 GLU 5 -0.863 1.776 -10.981 47 2HG GLU 5 HG3 GLU 5 -1.304 0.489 -9.876 48 H PHE 6 HN PHE 6 -2.582 3.780 -7.029 49 HA PHE 6 HA PHE 6 -5.332 4.588 -6.979 50 1HB PHE 6 HB2 PHE 6 -3.776 3.787 -4.445 51 2HB PHE 6 HB3 PHE 6 -5.363 4.532 -4.436 52 HD1 PHE 6 HD1 PHE 6 -3.559 1.460 -4.568 53 HD2 PHE 6 HD2 PHE 6 -7.282 3.246 -5.545 54 HE1 PHE 6 HE1 PHE 6 -4.626 -0.811 -4.658 55 HE2 PHE 6 HE2 PHE 6 -8.349 0.976 -5.635 56 HZ PHE 6 HZ PHE 6 -7.007 -1.026 -5.191 57 H HIS 7 HN HIS 7 -5.383 6.529 -5.116 58 HA HIS 7 HA HIS 7 -2.880 7.989 -5.299 59 1HB HIS 7 HB2 HIS 7 -3.662 9.114 -7.081 60 2HB HIS 7 HB3 HIS 7 -5.320 8.616 -6.808 61 HD1 HIS 7 HD1 HIS 7 -3.569 11.602 -7.094 62 HD2 HIS 7 HD2 HIS 7 -6.184 10.148 -4.154 63 HE1 HIS 7 HE1 HIS 7 -4.455 13.647 -5.851 64 H ILE 8 HN ILE 8 -2.466 9.203 -3.468 65 HA ILE 8 HA ILE 8 -4.022 8.686 -1.199 66 HB ILE 8 HB ILE 8 -1.880 10.756 -1.696 67 1HG1 ILE 8 HG12 ILE 8 -0.694 8.849 -2.031 68 2HG1 ILE 8 HG13 ILE 8 -0.624 8.887 -0.280 69 1HG2 ILE 8 HG21 ILE 8 -3.024 11.457 0.244 70 2HG2 ILE 8 HG22 ILE 8 -3.196 9.790 0.845 71 3HG2 ILE 8 HG23 ILE 8 -1.595 10.567 0.821 72 1HD1 ILE 8 HD11 ILE 8 -1.288 6.640 -1.217 73 2HD1 ILE 8 HD12 ILE 8 -2.492 7.321 -0.097 74 3HD1 ILE 8 HD13 ILE 8 -2.770 7.392 -1.854 75 H VAL 9 HN VAL 9 -5.814 9.649 -0.384 76 HA VAL 9 HA VAL 9 -6.518 12.263 -1.529 77 HB VAL 9 HB VAL 9 -8.896 11.501 -1.207 78 1HG1 VAL 9 HG11 VAL 9 -7.673 9.642 -3.197 79 2HG1 VAL 9 HG12 VAL 9 -9.009 10.803 -3.380 80 3HG1 VAL 9 HG13 VAL 9 -7.325 11.379 -3.371 81 1HG2 VAL 9 HG21 VAL 9 -9.265 9.025 -1.219 82 2HG2 VAL 9 HG22 VAL 9 -7.536 8.811 -0.855 83 3HG2 VAL 9 HG23 VAL 9 -8.592 9.651 0.306 84 H ALA 10 HN ALA 10 -5.254 10.829 1.111 85 HA ALA 10 HA ALA 10 -7.024 11.903 3.109 86 1HB ALA 10 HB1 ALA 10 -4.646 10.155 2.952 87 2HB ALA 10 HB2 ALA 10 -4.672 11.223 4.376 88 3HB ALA 10 HB3 ALA 10 -6.027 10.109 4.074 89 H GLU 11 HN GLU 11 -4.413 13.013 1.095 90 HA GLU 11 HA GLU 11 -3.120 14.774 1.128 91 1HB GLU 11 HB2 GLU 11 -4.272 16.924 1.487 92 2HB GLU 11 HB3 GLU 11 -5.312 15.805 0.629 93 1HG GLU 11 HG2 GLU 11 -6.589 15.308 2.631 94 2HG GLU 11 HG3 GLU 11 -5.421 16.113 3.659 95 H THR 12 HN THR 12 -3.305 13.071 3.716 96 HA THR 12 HA THR 12 -2.669 14.990 5.779 97 HB THR 12 HB THR 12 -3.758 12.414 5.670 98 HG1 THR 12 HG1 THR 12 -2.387 14.017 7.706 99 1HG2 THR 12 HG21 THR 12 -2.087 11.233 7.277 100 2HG2 THR 12 HG22 THR 12 -1.677 11.200 5.545 101 3HG2 THR 12 HG23 THR 12 -0.860 12.349 6.631 102 H GLY 13 HN GLY 13 -0.867 12.200 4.307 103 1HA GLY 13 HA1 GLY 13 1.355 13.182 3.389 104 2HA GLY 13 HA2 GLY 13 1.625 13.548 5.082 105 H ILE 14 HN ILE 14 -0.329 10.714 4.336 106 HA ILE 14 HA ILE 14 0.025 8.624 5.102 107 HB ILE 14 HB ILE 14 1.953 9.126 2.863 108 1HG1 ILE 14 HG12 ILE 14 0.341 8.189 1.501 109 2HG1 ILE 14 HG13 ILE 14 -0.372 7.239 2.789 110 1HG2 ILE 14 HG21 ILE 14 2.189 6.975 4.715 111 2HG2 ILE 14 HG22 ILE 14 1.566 6.320 3.182 112 3HG2 ILE 14 HG23 ILE 14 3.083 7.251 3.201 113 1HD1 ILE 14 HD11 ILE 14 -0.538 10.281 2.576 114 2HD1 ILE 14 HD12 ILE 14 -1.833 9.147 2.124 115 3HD1 ILE 14 HD13 ILE 14 -1.317 9.277 3.823 116 H HIS 15 HN HIS 15 0.669 9.474 7.295 117 HA HIS 15 HA HIS 15 3.529 9.197 7.766 118 1HB HIS 15 HB2 HIS 15 2.677 10.012 10.128 119 2HB HIS 15 HB3 HIS 15 2.951 11.133 8.809 120 HD2 HIS 15 HD2 HIS 15 0.644 12.375 7.772 121 HE1 HIS 15 HE1 HIS 15 -2.079 10.658 10.555 122 HE2 HIS 15 HE2 HIS 15 -1.718 12.451 8.724 123 H ALA 16 HN ALA 16 3.861 8.214 10.201 124 HA ALA 16 HA ALA 16 3.656 5.551 10.040 125 1HB ALA 16 HB1 ALA 16 4.126 7.535 12.099 126 2HB ALA 16 HB2 ALA 16 3.227 6.155 12.776 127 3HB ALA 16 HB3 ALA 16 4.783 5.887 11.954 128 H ARG 17 HN ARG 17 1.080 7.842 10.989 129 HA ARG 17 HA ARG 17 -0.641 5.916 12.007 130 1HB ARG 17 HB2 ARG 17 -0.790 8.766 11.155 131 2HB ARG 17 HB3 ARG 17 -2.314 7.912 11.019 132 1HG ARG 17 HG2 ARG 17 -2.152 8.911 13.251 133 2HG ARG 17 HG3 ARG 17 -2.109 7.166 13.400 134 1HD ARG 17 HD2 ARG 17 -0.220 7.483 14.645 135 2HD ARG 17 HD3 ARG 17 0.590 7.764 13.117 136 HE ARG 17 HE ARG 17 -0.403 10.251 13.642 137 1HH1 ARG 17 HH22 ARG 17 1.356 7.976 15.671 138 2HH1 ARG 17 HH21 ARG 17 2.092 9.210 16.638 139 1HH2 ARG 17 HH12 ARG 17 0.568 11.880 14.917 140 2HH2 ARG 17 HH11 ARG 17 1.641 11.446 16.206 141 HA PRO 18 HA PRO 18 -2.695 5.827 7.764 142 1HB PRO 18 HB2 PRO 18 -2.094 7.665 5.833 143 2HB PRO 18 HB3 PRO 18 -3.412 7.866 6.971 144 1HG PRO 18 HG2 PRO 18 -0.776 9.204 6.934 145 2HG PRO 18 HG3 PRO 18 -2.237 9.680 7.776 146 1HD PRO 18 HD2 PRO 18 0.077 8.432 8.924 147 2HD PRO 18 HD3 PRO 18 -1.428 8.802 9.741 148 H ALA 19 HN ALA 19 0.664 6.664 7.640 149 HA ALA 19 HA ALA 19 1.304 5.397 5.259 150 1HB ALA 19 HB1 ALA 19 3.565 5.492 6.067 151 2HB ALA 19 HB2 ALA 19 2.729 6.931 6.698 152 3HB ALA 19 HB3 ALA 19 3.023 5.535 7.762 153 H THR 20 HN THR 20 1.382 4.113 8.660 154 HA THR 20 HA THR 20 1.953 1.465 7.767 155 HB THR 20 HB THR 20 0.786 1.983 10.480 156 HG1 THR 20 HG1 THR 20 3.303 3.075 9.433 157 1HG2 THR 20 HG21 THR 20 3.437 0.839 9.453 158 2HG2 THR 20 HG22 THR 20 2.954 0.904 11.165 159 3HG2 THR 20 HG23 THR 20 2.044 -0.112 10.021 160 H LEU 21 HN LEU 21 -1.003 3.316 8.526 161 HA LEU 21 HA LEU 21 -2.837 1.407 8.914 162 1HB LEU 21 HB2 LEU 21 -3.498 3.649 8.927 163 2HB LEU 21 HB3 LEU 21 -2.921 3.935 7.297 164 HG LEU 21 HG LEU 21 -5.132 1.955 7.676 165 1HD1 LEU 21 HD11 LEU 21 -5.746 4.904 7.536 166 2HD1 LEU 21 HD12 LEU 21 -6.837 3.545 7.895 167 3HD1 LEU 21 HD13 LEU 21 -5.610 4.040 9.086 168 1HD2 LEU 21 HD21 LEU 21 -5.411 3.904 5.547 169 2HD2 LEU 21 HD22 LEU 21 -3.822 3.102 5.492 170 3HD2 LEU 21 HD23 LEU 21 -5.312 2.128 5.468 171 H LEU 22 HN LEU 22 -1.592 2.426 5.659 172 HA LEU 22 HA LEU 22 -3.039 0.363 4.346 173 1HB LEU 22 HB2 LEU 22 -1.608 1.056 2.403 174 2HB LEU 22 HB3 LEU 22 -2.635 2.291 3.103 175 HG LEU 22 HG LEU 22 -0.185 2.554 4.451 176 1HD1 LEU 22 HD11 LEU 22 0.771 1.080 2.660 177 2HD1 LEU 22 HD12 LEU 22 0.350 2.344 1.480 178 3HD1 LEU 22 HD13 LEU 22 1.513 2.694 2.782 179 1HD2 LEU 22 HD21 LEU 22 -0.512 4.383 2.203 180 2HD2 LEU 22 HD22 LEU 22 -2.021 4.144 3.117 181 3HD2 LEU 22 HD23 LEU 22 -0.550 4.694 3.955 182 H VAL 23 HN VAL 23 0.467 0.877 5.145 183 HA VAL 23 HA VAL 23 1.373 -1.532 4.154 184 HB VAL 23 HB VAL 23 3.337 -0.908 5.043 185 1HG1 VAL 23 HG11 VAL 23 2.122 1.671 5.968 186 2HG1 VAL 23 HG12 VAL 23 3.576 1.380 4.983 187 3HG1 VAL 23 HG13 VAL 23 1.959 1.212 4.256 188 1HG2 VAL 23 HG21 VAL 23 3.036 -1.603 7.277 189 2HG2 VAL 23 HG22 VAL 23 3.538 0.101 7.391 190 3HG2 VAL 23 HG23 VAL 23 1.826 -0.338 7.600 191 H GLN 24 HN GLN 24 0.073 -0.701 7.426 192 HA GLN 24 HA GLN 24 0.542 -3.144 8.578 193 1HB GLN 24 HB2 GLN 24 -1.078 -2.475 10.259 194 2HB GLN 24 HB3 GLN 24 -0.187 -1.051 9.759 195 1HG GLN 24 HG2 GLN 24 -2.009 -0.127 8.621 196 2HG GLN 24 HG3 GLN 24 -2.717 -1.688 8.257 197 1HE2 GLN 24 HE21 GLN 24 -1.776 0.254 11.094 198 2HE2 GLN 24 HE22 GLN 24 -3.198 -0.035 12.039 199 H THR 25 HN THR 25 -2.115 -2.025 6.449 200 HA THR 25 HA THR 25 -3.570 -4.506 6.798 201 HB THR 25 HB THR 25 -4.003 -1.781 5.702 202 HG1 THR 25 HG1 THR 25 -6.062 -2.378 6.634 203 1HG2 THR 25 HG21 THR 25 -5.901 -2.602 4.234 204 2HG2 THR 25 HG22 THR 25 -4.295 -2.971 3.559 205 3HG2 THR 25 HG23 THR 25 -5.236 -4.248 4.368 206 H ALA 26 HN ALA 26 -1.130 -3.132 4.668 207 HA ALA 26 HA ALA 26 -1.665 -5.081 2.603 208 1HB ALA 26 HB1 ALA 26 0.545 -3.981 1.730 209 2HB ALA 26 HB2 ALA 26 -0.954 -3.022 1.741 210 3HB ALA 26 HB3 ALA 26 0.259 -2.791 3.023 211 H SER 27 HN SER 27 0.608 -4.491 5.314 212 HA SER 27 HA SER 27 2.080 -6.854 4.570 213 1HB SER 27 HB2 SER 27 3.137 -4.662 5.427 214 2HB SER 27 HB3 SER 27 2.517 -5.088 7.010 215 HG SER 27 HG SER 27 4.654 -6.206 5.547 216 H LYS 28 HN LYS 28 -0.573 -7.487 5.147 217 HA LYS 28 HA LYS 28 -0.215 -9.078 7.540 218 1HB LYS 28 HB2 LYS 28 -2.488 -8.387 8.385 219 2HB LYS 28 HB3 LYS 28 -1.216 -7.196 8.567 220 1HG LYS 28 HG2 LYS 28 -3.035 -5.940 7.702 221 2HG LYS 28 HG3 LYS 28 -2.022 -6.217 6.299 222 1HD LYS 28 HD2 LYS 28 -4.282 -6.713 5.618 223 2HD LYS 28 HD3 LYS 28 -3.455 -8.252 5.751 224 1HE LYS 28 HE2 LYS 28 -4.719 -7.378 8.291 225 2HE LYS 28 HE3 LYS 28 -5.868 -7.608 6.988 226 1HZ LYS 28 HZ1 LYS 28 -5.684 -9.754 7.360 227 2HZ LYS 28 HZ2 LYS 28 -4.128 -9.725 6.866 228 3HZ LYS 28 HZ3 LYS 28 -4.485 -9.548 8.450 229 H PHE 29 HN PHE 29 -0.349 -9.329 4.506 230 HA PHE 29 HA PHE 29 -2.683 -11.110 4.425 231 1HB PHE 29 HB2 PHE 29 -1.135 -9.613 2.224 232 2HB PHE 29 HB3 PHE 29 -2.505 -10.662 1.918 233 HD1 PHE 29 HD1 PHE 29 -4.218 -9.775 4.270 234 HD2 PHE 29 HD2 PHE 29 -1.999 -7.582 1.394 235 HE1 PHE 29 HE1 PHE 29 -5.775 -7.826 4.555 236 HE2 PHE 29 HE2 PHE 29 -3.556 -5.633 1.678 237 HZ PHE 29 HZ PHE 29 -5.425 -5.779 3.255 238 H ASN 30 HN ASN 30 -2.324 -13.262 4.031 239 HA ASN 30 HA ASN 30 0.137 -14.339 4.308 240 1HB ASN 30 HB2 ASN 30 -2.473 -15.289 3.129 241 2HB ASN 30 HB3 ASN 30 -1.066 -16.289 2.828 242 1HD2 ASN 30 HD21 ASN 30 -2.689 -17.648 4.138 243 2HD2 ASN 30 HD22 ASN 30 -2.428 -17.720 5.849 244 H SER 31 HN SER 31 -1.204 -12.647 1.596 245 HA SER 31 HA SER 31 0.673 -13.914 -0.226 246 1HB SER 31 HB2 SER 31 -0.641 -12.632 -1.994 247 2HB SER 31 HB3 SER 31 -1.537 -13.880 -1.150 248 HG SER 31 HG SER 31 -2.406 -11.491 -1.440 249 H ASP 32 HN ASP 32 1.248 -11.963 -2.052 250 HA ASP 32 HA ASP 32 2.847 -10.200 -0.464 251 1HB ASP 32 HB2 ASP 32 3.142 -11.465 -2.941 252 2HB ASP 32 HB3 ASP 32 2.825 -9.805 -3.403 253 H ILE 33 HN ILE 33 2.868 -7.794 -0.931 254 HA ILE 33 HA ILE 33 1.023 -6.522 -2.542 255 HB ILE 33 HB ILE 33 -0.637 -7.613 -1.072 256 1HG1 ILE 33 HG12 ILE 33 -0.809 -5.254 -2.218 257 2HG1 ILE 33 HG13 ILE 33 -2.068 -5.827 -1.143 258 1HG2 ILE 33 HG21 ILE 33 -0.080 -7.796 1.086 259 2HG2 ILE 33 HG22 ILE 33 1.051 -6.424 1.015 260 3HG2 ILE 33 HG23 ILE 33 -0.691 -6.131 1.236 261 1HD1 ILE 33 HD11 ILE 33 0.255 -4.260 0.003 262 2HD1 ILE 33 HD12 ILE 33 -1.082 -3.406 -0.805 263 3HD1 ILE 33 HD13 ILE 33 -1.406 -4.418 0.623 264 H ASN 34 HN ASN 34 2.055 -4.639 -2.900 265 HA ASN 34 HA ASN 34 3.274 -3.382 -0.579 266 1HB ASN 34 HB2 ASN 34 4.535 -3.553 -3.367 267 2HB ASN 34 HB3 ASN 34 5.234 -2.736 -1.983 268 1HD2 ASN 34 HD21 ASN 34 6.700 -4.587 -3.229 269 2HD2 ASN 34 HD22 ASN 34 6.869 -6.033 -2.290 270 H LEU 35 HN LEU 35 4.067 -0.983 -1.515 271 HA LEU 35 HA LEU 35 1.795 0.015 -3.089 272 1HB LEU 35 HB2 LEU 35 1.384 1.594 -1.590 273 2HB LEU 35 HB3 LEU 35 2.280 0.573 -0.483 274 HG LEU 35 HG LEU 35 4.341 1.877 -0.988 275 1HD1 LEU 35 HD11 LEU 35 3.499 4.271 -2.009 276 2HD1 LEU 35 HD12 LEU 35 4.330 2.994 -2.929 277 3HD1 LEU 35 HD13 LEU 35 2.554 3.109 -2.971 278 1HD2 LEU 35 HD21 LEU 35 2.859 4.122 -0.086 279 2HD2 LEU 35 HD22 LEU 35 2.062 2.663 0.551 280 3HD2 LEU 35 HD23 LEU 35 3.789 2.945 0.873 281 H GLU 36 HN GLU 36 2.232 1.657 -4.651 282 HA GLU 36 HA GLU 36 5.075 2.046 -5.146 283 1HB GLU 36 HB2 GLU 36 4.296 0.329 -6.714 284 2HB GLU 36 HB3 GLU 36 2.938 1.325 -7.197 285 1HG GLU 36 HG2 GLU 36 5.592 2.657 -7.456 286 2HG GLU 36 HG3 GLU 36 5.379 1.261 -8.494 287 H TYR 37 HN TYR 37 5.504 4.200 -4.981 288 HA TYR 37 HA TYR 37 3.381 6.044 -5.851 289 1HB TYR 37 HB2 TYR 37 3.836 6.130 -3.416 290 2HB TYR 37 HB3 TYR 37 5.567 6.080 -3.688 291 HD1 TYR 37 HD1 TYR 37 5.959 8.066 -2.327 292 HD2 TYR 37 HD2 TYR 37 3.408 8.228 -5.757 293 HE1 TYR 37 HE1 TYR 37 6.038 10.606 -2.274 294 HE2 TYR 37 HE2 TYR 37 3.495 10.768 -5.693 295 HH TYR 37 HH TYR 37 4.503 12.470 -3.059 296 H LYS 38 HN LYS 38 3.856 7.339 -7.557 297 HA LYS 38 HA LYS 38 5.016 8.515 -9.029 298 1HB LYS 38 HB2 LYS 38 7.445 8.150 -7.252 299 2HB LYS 38 HB3 LYS 38 7.252 9.328 -8.535 300 1HG LYS 38 HG2 LYS 38 4.996 9.833 -7.022 301 2HG LYS 38 HG3 LYS 38 6.120 9.327 -5.777 302 1HD LYS 38 HD2 LYS 38 6.895 11.396 -7.873 303 2HD LYS 38 HD3 LYS 38 6.067 11.854 -6.398 304 1HE LYS 38 HE2 LYS 38 7.962 10.502 -5.171 305 2HE LYS 38 HE3 LYS 38 8.823 10.608 -6.693 306 1HZ LYS 38 HZ1 LYS 38 7.731 12.945 -5.289 307 2HZ LYS 38 HZ2 LYS 38 9.276 12.437 -5.143 308 3HZ LYS 38 HZ3 LYS 38 8.721 12.958 -6.588 309 H GLY 39 HN GLY 39 5.314 5.303 -8.339 310 1HA GLY 39 HA1 GLY 39 5.575 3.889 -10.297 311 2HA GLY 39 HA2 GLY 39 6.983 4.836 -10.738 312 H LYS 40 HN LYS 40 7.128 4.765 -7.418 313 HA LYS 40 HA LYS 40 8.989 2.524 -7.505 314 1HB LYS 40 HB2 LYS 40 9.988 4.510 -6.690 315 2HB LYS 40 HB3 LYS 40 8.626 4.882 -5.654 316 1HG LYS 40 HG2 LYS 40 9.113 2.813 -4.304 317 2HG LYS 40 HG3 LYS 40 10.505 2.495 -5.321 318 1HD LYS 40 HD2 LYS 40 11.787 4.022 -4.220 319 2HD LYS 40 HD3 LYS 40 10.547 5.255 -4.325 320 1HE LYS 40 HE2 LYS 40 9.330 3.977 -2.418 321 2HE LYS 40 HE3 LYS 40 10.816 3.072 -2.216 322 1HZ LYS 40 HZ1 LYS 40 11.972 5.056 -1.744 323 2HZ LYS 40 HZ2 LYS 40 10.711 6.005 -2.164 324 3HZ LYS 40 HZ3 LYS 40 10.623 5.078 -0.823 325 H SER 41 HN SER 41 8.097 0.572 -7.087 326 HA SER 41 HA SER 41 5.924 0.526 -5.162 327 1HB SER 41 HB2 SER 41 5.144 -1.418 -6.208 328 2HB SER 41 HB3 SER 41 5.818 -0.531 -7.560 329 HG SER 41 HG SER 41 7.888 -1.814 -6.978 330 H VAL 42 HN VAL 42 6.422 -0.067 -3.086 331 HA VAL 42 HA VAL 42 8.378 -2.172 -2.691 332 HB VAL 42 HB VAL 42 9.869 -0.984 -1.434 333 1HG1 VAL 42 HG11 VAL 42 10.394 1.158 -2.605 334 2HG1 VAL 42 HG12 VAL 42 10.094 -0.205 -3.710 335 3HG1 VAL 42 HG13 VAL 42 8.837 1.030 -3.458 336 1HG2 VAL 42 HG21 VAL 42 7.848 1.252 -1.059 337 2HG2 VAL 42 HG22 VAL 42 8.182 -0.041 0.118 338 3HG2 VAL 42 HG23 VAL 42 9.454 1.131 -0.302 339 H ASN 43 HN ASN 43 8.107 -3.259 -0.655 340 HA ASN 43 HA ASN 43 5.605 -3.666 0.136 341 1HB ASN 43 HB2 ASN 43 7.756 -3.628 2.275 342 2HB ASN 43 HB3 ASN 43 6.510 -4.829 2.003 343 1HD2 ASN 43 HD21 ASN 43 9.689 -4.355 1.880 344 2HD2 ASN 43 HD22 ASN 43 10.176 -5.434 0.615 345 H LEU 44 HN LEU 44 4.398 -1.639 0.292 346 HA LEU 44 HA LEU 44 4.786 0.673 1.314 347 1HB LEU 44 HB2 LEU 44 2.515 -0.239 2.784 348 2HB LEU 44 HB3 LEU 44 2.589 0.769 1.352 349 HG LEU 44 HG LEU 44 2.661 -1.292 -0.054 350 1HD1 LEU 44 HD11 LEU 44 2.064 -3.449 0.937 351 2HD1 LEU 44 HD12 LEU 44 3.604 -2.836 1.585 352 3HD1 LEU 44 HD13 LEU 44 2.120 -2.724 2.562 353 1HD2 LEU 44 HD21 LEU 44 0.328 -1.699 0.023 354 2HD2 LEU 44 HD22 LEU 44 0.232 -1.262 1.746 355 3HD2 LEU 44 HD23 LEU 44 0.562 -0.008 0.527 356 H LYS 45 HN LYS 45 4.777 -2.281 3.356 357 HA LYS 45 HA LYS 45 5.107 -0.837 5.777 358 1HB LYS 45 HB2 LYS 45 4.089 -3.009 5.822 359 2HB LYS 45 HB3 LYS 45 5.463 -3.748 5.024 360 1HG LYS 45 HG2 LYS 45 6.671 -3.890 6.962 361 2HG LYS 45 HG3 LYS 45 6.234 -2.270 7.467 362 1HD LYS 45 HD2 LYS 45 3.997 -3.093 8.210 363 2HD LYS 45 HD3 LYS 45 4.409 -4.712 7.680 364 1HE LYS 45 HE2 LYS 45 5.427 -5.123 9.663 365 2HE LYS 45 HE3 LYS 45 6.551 -3.810 9.375 366 1HZ LYS 45 HZ1 LYS 45 5.467 -3.176 11.270 367 2HZ LYS 45 HZ2 LYS 45 4.608 -2.362 10.144 368 3HZ LYS 45 HZ3 LYS 45 4.008 -3.735 10.794 369 H SER 46 HN SER 46 7.035 -0.768 3.179 370 HA SER 46 HA SER 46 9.501 -1.328 4.552 371 1HB SER 46 HB2 SER 46 9.055 -1.917 2.104 372 2HB SER 46 HB3 SER 46 9.105 -0.202 1.748 373 HG SER 46 HG SER 46 11.265 -1.577 3.091 374 H ILE 47 HN ILE 47 9.402 0.344 6.207 375 HA ILE 47 HA ILE 47 8.808 2.941 5.966 376 HB ILE 47 HB ILE 47 10.435 1.306 7.688 377 1HG1 ILE 47 HG12 ILE 47 9.400 2.560 9.403 378 2HG1 ILE 47 HG13 ILE 47 9.122 3.940 8.359 379 1HG2 ILE 47 HG21 ILE 47 12.380 2.474 7.295 380 2HG2 ILE 47 HG22 ILE 47 11.528 3.998 6.947 381 3HG2 ILE 47 HG23 ILE 47 11.665 3.418 8.624 382 1HD1 ILE 47 HD11 ILE 47 7.168 2.193 8.902 383 2HD1 ILE 47 HD12 ILE 47 7.291 2.965 7.303 384 3HD1 ILE 47 HD13 ILE 47 7.902 1.310 7.542 385 H MET 48 HN MET 48 12.251 1.827 5.619 386 HA MET 48 HA MET 48 13.243 4.103 4.607 387 1HB MET 48 HB2 MET 48 14.702 2.260 3.199 388 2HB MET 48 HB3 MET 48 14.916 2.513 4.919 389 1HG MET 48 HG2 MET 48 13.878 0.521 5.489 390 2HG MET 48 HG3 MET 48 12.720 0.621 4.178 391 1HE MET 48 HE1 MET 48 14.761 -0.527 1.084 392 2HE MET 48 HE2 MET 48 13.190 0.014 1.721 393 3HE MET 48 HE3 MET 48 14.556 1.152 1.638 394 H GLY 49 HN GLY 49 12.038 1.316 2.593 395 1HA GLY 49 HA1 GLY 49 12.302 2.578 0.118 396 2HA GLY 49 HA2 GLY 49 11.238 1.238 0.496 397 H VAL 50 HN VAL 50 10.207 3.347 2.745 398 HA VAL 50 HA VAL 50 8.288 4.579 0.893 399 HB VAL 50 HB VAL 50 8.059 3.170 3.464 400 1HG1 VAL 50 HG11 VAL 50 7.602 5.315 4.395 401 2HG1 VAL 50 HG12 VAL 50 6.607 5.789 2.997 402 3HG1 VAL 50 HG13 VAL 50 6.026 4.536 4.120 403 1HG2 VAL 50 HG21 VAL 50 6.620 3.461 0.909 404 2HG2 VAL 50 HG22 VAL 50 6.779 2.053 1.986 405 3HG2 VAL 50 HG23 VAL 50 5.562 3.306 2.332 406 H MET 51 HN MET 51 10.324 5.031 3.836 407 HA MET 51 HA MET 51 9.667 7.546 4.499 408 1HB MET 51 HB2 MET 51 11.373 6.068 5.631 409 2HB MET 51 HB3 MET 51 12.488 6.347 4.309 410 1HG MET 51 HG2 MET 51 13.063 7.847 6.163 411 2HG MET 51 HG3 MET 51 12.469 8.807 4.823 412 1HE MET 51 HE1 MET 51 10.828 6.527 7.499 413 2HE MET 51 HE2 MET 51 9.360 7.449 7.903 414 3HE MET 51 HE3 MET 51 9.573 6.789 6.264 415 H SER 52 HN SER 52 11.986 6.536 1.907 416 HA SER 52 HA SER 52 12.663 9.173 1.246 417 1HB SER 52 HB2 SER 52 13.998 8.222 -0.423 418 2HB SER 52 HB3 SER 52 13.877 6.904 0.725 419 HG SER 52 HG SER 52 12.725 7.174 -1.856 420 H LEU 53 HN LEU 53 10.001 7.004 0.428 421 HA LEU 53 HA LEU 53 9.208 8.696 -1.806 422 1HB LEU 53 HB2 LEU 53 8.963 5.933 -1.149 423 2HB LEU 53 HB3 LEU 53 7.349 6.605 -1.263 424 HG LEU 53 HG LEU 53 9.488 6.526 -3.393 425 1HD1 LEU 53 HD11 LEU 53 6.997 5.070 -2.826 426 2HD1 LEU 53 HD12 LEU 53 7.152 5.641 -4.504 427 3HD1 LEU 53 HD13 LEU 53 8.413 4.603 -3.797 428 1HD2 LEU 53 HD21 LEU 53 8.703 8.332 -4.410 429 2HD2 LEU 53 HD22 LEU 53 7.044 7.690 -4.357 430 3HD2 LEU 53 HD23 LEU 53 7.671 8.649 -2.995 431 H GLY 54 HN GLY 54 6.994 7.056 0.477 432 1HA GLY 54 HA1 GLY 54 5.315 7.845 1.743 433 2HA GLY 54 HA2 GLY 54 6.344 9.217 2.106 434 H VAL 55 HN VAL 55 3.337 8.892 1.451 435 HA VAL 55 HA VAL 55 3.300 10.979 -0.613 436 HB VAL 55 HB VAL 55 0.881 9.724 -0.864 437 1HG1 VAL 55 HG11 VAL 55 1.519 9.582 -3.018 438 2HG1 VAL 55 HG12 VAL 55 3.011 10.383 -2.470 439 3HG1 VAL 55 HG13 VAL 55 2.959 8.611 -2.630 440 1HG2 VAL 55 HG21 VAL 55 2.829 7.432 -0.848 441 2HG2 VAL 55 HG22 VAL 55 1.991 7.899 0.651 442 3HG2 VAL 55 HG23 VAL 55 1.051 7.412 -0.780 443 H GLY 56 HN GLY 56 0.647 11.705 -0.497 444 1HA GLY 56 HA1 GLY 56 -0.732 11.848 1.812 445 2HA GLY 56 HA2 GLY 56 0.549 13.012 2.083 446 H GLN 57 HN GLN 57 0.738 14.905 0.695 447 HA GLN 57 HA GLN 57 -1.549 16.174 0.168 448 1HB GLN 57 HB2 GLN 57 -0.260 17.784 -1.039 449 2HB GLN 57 HB3 GLN 57 0.841 17.082 0.129 450 1HG GLN 57 HG2 GLN 57 1.300 15.362 -1.912 451 2HG GLN 57 HG3 GLN 57 0.764 16.735 -2.860 452 1HE2 GLN 57 HE21 GLN 57 2.639 17.340 -3.750 453 2HE2 GLN 57 HE22 GLN 57 4.026 17.918 -2.888 454 H GLY 58 HN GLY 58 -3.072 14.630 -0.760 455 1HA GLY 58 HA1 GLY 58 -4.107 13.505 -2.424 456 2HA GLY 58 HA2 GLY 58 -3.691 14.918 -3.375 457 H SER 59 HN SER 59 -0.892 13.299 -2.147 458 HA SER 59 HA SER 59 0.145 12.792 -4.605 459 1HB SER 59 HB2 SER 59 0.774 11.172 -2.103 460 2HB SER 59 HB3 SER 59 1.847 11.483 -3.453 461 HG SER 59 HG SER 59 2.214 13.534 -2.772 462 H ASP 60 HN ASP 60 0.138 11.039 -6.055 463 HA ASP 60 HA ASP 60 -1.883 9.054 -5.466 464 1HB ASP 60 HB2 ASP 60 -1.883 8.605 -7.860 465 2HB ASP 60 HB3 ASP 60 -1.962 10.340 -7.623 466 H VAL 61 HN VAL 61 -1.375 6.751 -5.645 467 HA VAL 61 HA VAL 61 1.389 6.043 -6.169 468 HB VAL 61 HB VAL 61 1.540 4.761 -4.071 469 1HG1 VAL 61 HG11 VAL 61 2.434 7.126 -4.371 470 2HG1 VAL 61 HG12 VAL 61 1.014 7.679 -3.451 471 3HG1 VAL 61 HG13 VAL 61 2.194 6.581 -2.694 472 1HG2 VAL 61 HG21 VAL 61 -0.013 5.264 -2.214 473 2HG2 VAL 61 HG22 VAL 61 -1.016 6.224 -3.328 474 3HG2 VAL 61 HG23 VAL 61 -0.831 4.472 -3.582 475 H THR 62 HN THR 62 1.508 3.458 -5.880 476 HA THR 62 HA THR 62 -1.026 2.335 -6.859 477 HB THR 62 HB THR 62 1.674 2.490 -8.182 478 HG1 THR 62 HG1 THR 62 0.207 3.179 -9.698 479 1HG2 THR 62 HG21 THR 62 -0.129 0.038 -8.135 480 2HG2 THR 62 HG22 THR 62 0.776 0.465 -9.607 481 3HG2 THR 62 HG23 THR 62 1.649 0.104 -8.099 482 H ILE 63 HN ILE 63 -1.561 0.328 -6.107 483 HA ILE 63 HA ILE 63 0.358 -0.784 -4.183 484 HB ILE 63 HB ILE 63 -2.245 0.069 -3.802 485 1HG1 ILE 63 HG12 ILE 63 -1.724 -1.675 -1.704 486 2HG1 ILE 63 HG13 ILE 63 -0.125 -1.283 -2.303 487 1HG2 ILE 63 HG21 ILE 63 -3.638 -1.799 -3.437 488 2HG2 ILE 63 HG22 ILE 63 -2.931 -2.032 -5.054 489 3HG2 ILE 63 HG23 ILE 63 -2.298 -2.948 -3.666 490 1HD1 ILE 63 HD11 ILE 63 -1.440 1.192 -2.345 491 2HD1 ILE 63 HD12 ILE 63 -2.042 0.416 -0.861 492 3HD1 ILE 63 HD13 ILE 63 -0.293 0.638 -1.102 493 H THR 64 HN THR 64 0.614 -3.105 -4.104 494 HA THR 64 HA THR 64 -0.421 -4.503 -6.470 495 HB THR 64 HB THR 64 2.416 -4.992 -5.567 496 HG1 THR 64 HG1 THR 64 1.568 -2.867 -7.385 497 1HG2 THR 64 HG21 THR 64 0.737 -5.468 -7.922 498 2HG2 THR 64 HG22 THR 64 2.187 -4.534 -8.364 499 3HG2 THR 64 HG23 THR 64 2.356 -6.113 -7.559 500 H VAL 65 HN VAL 65 -0.854 -6.697 -6.209 501 HA VAL 65 HA VAL 65 -0.312 -7.798 -3.563 502 HB VAL 65 HB VAL 65 -2.585 -6.651 -3.682 503 1HG1 VAL 65 HG11 VAL 65 -3.979 -7.160 -5.344 504 2HG1 VAL 65 HG12 VAL 65 -2.816 -8.349 -5.979 505 3HG1 VAL 65 HG13 VAL 65 -4.032 -8.846 -4.777 506 1HG2 VAL 65 HG21 VAL 65 -3.679 -8.926 -2.754 507 2HG2 VAL 65 HG22 VAL 65 -1.968 -9.416 -2.762 508 3HG2 VAL 65 HG23 VAL 65 -2.480 -7.983 -1.838 509 H ASP 66 HN ASP 66 0.407 -9.875 -3.703 510 HA ASP 66 HA ASP 66 -0.390 -11.388 -6.031 511 1HB ASP 66 HB2 ASP 66 2.477 -11.688 -5.273 512 2HB ASP 66 HB3 ASP 66 1.738 -11.727 -6.861 513 H GLY 67 HN GLY 67 -1.032 -13.413 -5.269 514 1HA GLY 67 HA1 GLY 67 0.094 -15.314 -3.936 515 2HA GLY 67 HA2 GLY 67 -0.120 -14.214 -2.589 516 H ALA 68 HN ALA 68 -1.491 -16.034 -1.720 517 HA ALA 68 HA ALA 68 -3.917 -16.678 -3.035 518 1HB ALA 68 HB1 ALA 68 -3.632 -16.998 -0.078 519 2HB ALA 68 HB2 ALA 68 -4.171 -18.166 -1.309 520 3HB ALA 68 HB3 ALA 68 -2.435 -17.833 -1.098 521 H ASP 69 HN ASP 69 -3.065 -14.568 -0.205 522 HA ASP 69 HA ASP 69 -5.647 -13.713 0.241 523 1HB ASP 69 HB2 ASP 69 -2.922 -12.976 1.055 524 2HB ASP 69 HB3 ASP 69 -3.935 -11.554 0.907 525 H GLU 70 HN GLU 70 -3.272 -12.943 -2.231 526 HA GLU 70 HA GLU 70 -3.275 -10.620 -3.096 527 1HB GLU 70 HB2 GLU 70 -3.912 -11.317 -5.430 528 2HB GLU 70 HB3 GLU 70 -2.813 -12.429 -4.640 529 1HG GLU 70 HG2 GLU 70 -4.354 -13.976 -5.399 530 2HG GLU 70 HG3 GLU 70 -5.117 -13.597 -3.868 531 H ALA 71 HN ALA 71 -6.437 -12.397 -3.430 532 HA ALA 71 HA ALA 71 -7.897 -10.158 -4.225 533 1HB ALA 71 HB1 ALA 71 -9.095 -12.048 -4.653 534 2HB ALA 71 HB2 ALA 71 -8.408 -12.922 -3.263 535 3HB ALA 71 HB3 ALA 71 -9.744 -11.770 -3.019 536 H GLU 72 HN GLU 72 -8.189 -11.836 -1.015 537 HA GLU 72 HA GLU 72 -9.451 -9.776 0.225 538 1HB GLU 72 HB2 GLU 72 -7.784 -11.055 2.173 539 2HB GLU 72 HB3 GLU 72 -9.484 -11.335 1.853 540 1HG GLU 72 HG2 GLU 72 -8.924 -12.981 0.094 541 2HG GLU 72 HG3 GLU 72 -7.215 -12.645 0.282 542 H GLY 73 HN GLY 73 -5.903 -10.439 -0.018 543 1HA GLY 73 HA1 GLY 73 -4.861 -8.562 1.652 544 2HA GLY 73 HA2 GLY 73 -4.148 -9.031 0.122 545 H MET 74 HN MET 74 -4.953 -7.888 -1.898 546 HA MET 74 HA MET 74 -4.721 -5.183 -1.595 547 1HB MET 74 HB2 MET 74 -5.607 -5.140 -3.997 548 2HB MET 74 HB3 MET 74 -4.314 -6.294 -3.740 549 1HG MET 74 HG2 MET 74 -5.725 -7.826 -4.681 550 2HG MET 74 HG3 MET 74 -6.545 -7.831 -3.132 551 1HE MET 74 HE1 MET 74 -8.040 -8.737 -5.531 552 2HE MET 74 HE2 MET 74 -8.965 -8.420 -4.045 553 3HE MET 74 HE3 MET 74 -9.540 -7.782 -5.604 554 H ALA 75 HN ALA 75 -7.648 -7.251 -1.655 555 HA ALA 75 HA ALA 75 -9.619 -5.456 -2.111 556 1HB ALA 75 HB1 ALA 75 -9.306 -7.930 -0.470 557 2HB ALA 75 HB2 ALA 75 -10.751 -6.940 -0.154 558 3HB ALA 75 HB3 ALA 75 -10.444 -7.569 -1.790 559 H ALA 76 HN ALA 76 -8.070 -6.147 1.105 560 HA ALA 76 HA ALA 76 -9.491 -4.193 2.494 561 1HB ALA 76 HB1 ALA 76 -8.439 -5.333 4.118 562 2HB ALA 76 HB2 ALA 76 -7.334 -6.070 2.932 563 3HB ALA 76 HB3 ALA 76 -6.928 -4.503 3.674 564 H ILE 77 HN ILE 77 -6.083 -4.097 1.215 565 HA ILE 77 HA ILE 77 -5.500 -1.521 1.813 566 HB ILE 77 HB ILE 77 -4.590 -3.536 -0.073 567 1HG1 ILE 77 HG12 ILE 77 -3.313 -3.228 1.861 568 2HG1 ILE 77 HG13 ILE 77 -2.370 -2.465 0.597 569 1HG2 ILE 77 HG21 ILE 77 -4.057 -0.650 -0.822 570 2HG2 ILE 77 HG22 ILE 77 -3.425 -2.110 -1.620 571 3HG2 ILE 77 HG23 ILE 77 -5.165 -1.739 -1.692 572 1HD1 ILE 77 HD11 ILE 77 -2.301 -0.747 2.138 573 2HD1 ILE 77 HD12 ILE 77 -3.838 -0.313 1.352 574 3HD1 ILE 77 HD13 ILE 77 -3.847 -1.217 2.885 575 H VAL 78 HN VAL 78 -7.058 -2.671 -1.264 576 HA VAL 78 HA VAL 78 -7.448 -0.201 -2.390 577 HB VAL 78 HB VAL 78 -9.394 -2.499 -2.558 578 1HG1 VAL 78 HG11 VAL 78 -8.900 -1.482 -5.097 579 2HG1 VAL 78 HG12 VAL 78 -10.318 -1.137 -4.078 580 3HG1 VAL 78 HG13 VAL 78 -8.920 -0.035 -4.060 581 1HG2 VAL 78 HG21 VAL 78 -6.568 -2.569 -3.061 582 2HG2 VAL 78 HG22 VAL 78 -7.780 -3.854 -3.281 583 3HG2 VAL 78 HG23 VAL 78 -7.438 -2.716 -4.607 584 H GLU 79 HN GLU 79 -9.872 -2.088 -0.437 585 HA GLU 79 HA GLU 79 -11.727 -0.089 -0.321 586 1HB GLU 79 HB2 GLU 79 -11.171 -2.608 1.093 587 2HB GLU 79 HB3 GLU 79 -11.968 -1.441 2.129 588 1HG GLU 79 HG2 GLU 79 -13.232 -1.375 -0.481 589 2HG GLU 79 HG3 GLU 79 -13.133 -3.042 0.050 590 H THR 80 HN THR 80 -8.969 -0.799 1.908 591 HA THR 80 HA THR 80 -9.575 1.211 3.773 592 HB THR 80 HB THR 80 -7.596 -0.828 3.290 593 HG1 THR 80 HG1 THR 80 -7.427 0.827 5.583 594 1HG2 THR 80 HG21 THR 80 -5.878 0.732 2.678 595 2HG2 THR 80 HG22 THR 80 -6.522 1.986 3.765 596 3HG2 THR 80 HG23 THR 80 -5.698 0.561 4.441 597 H LEU 81 HN LEU 81 -7.584 1.229 0.771 598 HA LEU 81 HA LEU 81 -6.413 3.673 1.039 599 1HB LEU 81 HB2 LEU 81 -7.415 2.114 -1.317 600 2HB LEU 81 HB3 LEU 81 -6.736 3.713 -1.547 601 HG LEU 81 HG LEU 81 -5.376 1.251 -1.362 602 1HD1 LEU 81 HD11 LEU 81 -3.594 2.439 -2.188 603 2HD1 LEU 81 HD12 LEU 81 -4.940 3.532 -2.594 604 3HD1 LEU 81 HD13 LEU 81 -3.923 3.863 -1.171 605 1HD2 LEU 81 HD21 LEU 81 -4.538 3.035 0.934 606 2HD2 LEU 81 HD22 LEU 81 -5.536 1.574 1.126 607 3HD2 LEU 81 HD23 LEU 81 -3.881 1.444 0.482 608 H GLN 82 HN GLN 82 -9.744 2.919 -0.155 609 HA GLN 82 HA GLN 82 -10.262 5.761 -0.225 610 1HB GLN 82 HB2 GLN 82 -12.459 3.856 -0.865 611 2HB GLN 82 HB3 GLN 82 -11.937 5.291 -1.725 612 1HG GLN 82 HG2 GLN 82 -10.914 3.937 -3.228 613 2HG GLN 82 HG3 GLN 82 -9.760 3.510 -1.980 614 1HE2 GLN 82 HE21 GLN 82 -10.097 1.652 -3.744 615 2HE2 GLN 82 HE22 GLN 82 -11.086 0.335 -3.206 616 H LYS 83 HN LYS 83 -10.511 3.082 1.910 617 HA LYS 83 HA LYS 83 -12.896 4.002 3.236 618 1HB LYS 83 HB2 LYS 83 -12.946 1.840 3.752 619 2HB LYS 83 HB3 LYS 83 -11.321 1.597 3.145 620 1HG LYS 83 HG2 LYS 83 -10.362 2.342 5.303 621 2HG LYS 83 HG3 LYS 83 -11.961 2.714 5.915 622 1HD LYS 83 HD2 LYS 83 -10.755 0.357 6.422 623 2HD LYS 83 HD3 LYS 83 -12.497 0.494 6.282 624 1HE LYS 83 HE2 LYS 83 -12.284 -0.069 3.811 625 2HE LYS 83 HE3 LYS 83 -10.571 -0.339 4.061 626 1HZ LYS 83 HZ1 LYS 83 -12.525 -2.159 4.425 627 2HZ LYS 83 HZ2 LYS 83 -10.991 -2.295 4.966 628 3HZ LYS 83 HZ3 LYS 83 -12.158 -1.724 5.955 629 H GLU 84 HN GLU 84 -9.327 4.039 3.730 630 HA GLU 84 HA GLU 84 -9.738 5.575 6.138 631 1HB GLU 84 HB2 GLU 84 -7.037 4.863 4.962 632 2HB GLU 84 HB3 GLU 84 -7.455 5.147 6.640 633 1HG GLU 84 HG2 GLU 84 -8.514 2.796 5.002 634 2HG GLU 84 HG3 GLU 84 -7.110 2.701 6.045 635 H GLY 85 HN GLY 85 -10.176 6.436 3.141 636 1HA GLY 85 HA1 GLY 85 -9.854 8.267 1.874 637 2HA GLY 85 HA2 GLY 85 -9.673 9.122 3.393 638 H LEU 86 HN LEU 86 -7.462 6.491 2.421 639 HA LEU 86 HA LEU 86 -5.301 8.442 2.419 640 1HB LEU 86 HB2 LEU 86 -5.618 5.609 3.090 641 2HB LEU 86 HB3 LEU 86 -4.181 5.942 2.144 642 HG LEU 86 HG LEU 86 -4.920 7.246 4.779 643 1HD1 LEU 86 HD11 LEU 86 -3.655 5.739 5.859 644 2HD1 LEU 86 HD12 LEU 86 -3.946 4.729 4.422 645 3HD1 LEU 86 HD13 LEU 86 -2.440 5.668 4.560 646 1HD2 LEU 86 HD21 LEU 86 -3.254 8.731 4.553 647 2HD2 LEU 86 HD22 LEU 86 -2.179 7.562 3.747 648 3HD2 LEU 86 HD23 LEU 86 -3.433 8.411 2.811 649 H ALA 87 HN ALA 87 -7.356 6.678 0.262 650 HA ALA 87 HA ALA 87 -5.988 7.780 -1.982 651 1HB ALA 87 HB1 ALA 87 -5.344 5.075 -1.108 652 2HB ALA 87 HB2 ALA 87 -6.068 5.071 -2.734 653 3HB ALA 87 HB3 ALA 87 -4.616 6.048 -2.408 654 H GLU 88 HN GLU 88 -7.244 7.384 -4.006 655 HA GLU 88 HA GLU 88 -10.024 7.173 -3.298 656 1HB GLU 88 HB2 GLU 88 -10.292 7.887 -5.775 657 2HB GLU 88 HB3 GLU 88 -9.601 9.054 -4.665 658 1HG GLU 88 HG2 GLU 88 -7.469 8.889 -5.582 659 2HG GLU 88 HG3 GLU 88 -7.666 7.205 -6.025 660 H GLN 89 HN GLN 89 -11.293 6.196 -5.517 661 HA GLN 89 HA GLN 89 -10.521 3.436 -5.379 662 1HB GLN 89 HB2 GLN 89 -12.687 3.036 -6.538 663 2HB GLN 89 HB3 GLN 89 -12.885 4.007 -5.093 664 1HG GLN 89 HG2 GLN 89 -13.764 5.718 -6.293 665 2HG GLN 89 HG3 GLN 89 -12.353 5.774 -7.330 666 1HE2 GLN 89 HE21 GLN 89 -12.305 4.674 -9.263 667 2HE2 GLN 89 HE22 GLN 89 -13.714 4.014 -10.025 Start of MODEL 7 1 H MET 1 HN MET 1 -0.843 -12.592 -6.575 2 HA MET 1 HA MET 1 -0.259 -12.371 -8.792 3 1HB MET 1 HB2 MET 1 -3.034 -13.509 -8.298 4 2HB MET 1 HB3 MET 1 -2.440 -13.457 -9.946 5 1HG MET 1 HG2 MET 1 -0.264 -14.489 -8.463 6 2HG MET 1 HG3 MET 1 -1.669 -15.257 -7.752 7 1HE MET 1 HE1 MET 1 0.779 -14.939 -10.203 8 2HE MET 1 HE2 MET 1 0.791 -16.719 -10.240 9 3HE MET 1 HE3 MET 1 0.313 -15.801 -11.688 10 H GLU 2 HN GLU 2 -2.171 -9.967 -7.642 11 HA GLU 2 HA GLU 2 -2.362 -8.799 -10.275 12 1HB GLU 2 HB2 GLU 2 -4.717 -8.817 -8.336 13 2HB GLU 2 HB3 GLU 2 -4.672 -7.998 -9.884 14 1HG GLU 2 HG2 GLU 2 -4.074 -10.400 -10.840 15 2HG GLU 2 HG3 GLU 2 -4.740 -10.976 -9.325 16 H LYS 3 HN LYS 3 -2.684 -6.371 -10.146 17 HA LYS 3 HA LYS 3 -1.703 -5.363 -7.566 18 1HB LYS 3 HB2 LYS 3 0.078 -4.455 -8.545 19 2HB LYS 3 HB3 LYS 3 -0.303 -5.395 -9.973 20 1HG LYS 3 HG2 LYS 3 -1.960 -3.424 -10.545 21 2HG LYS 3 HG3 LYS 3 -1.036 -2.512 -9.367 22 1HD LYS 3 HD2 LYS 3 -0.077 -2.112 -11.577 23 2HD LYS 3 HD3 LYS 3 1.071 -3.042 -10.634 24 1HE LYS 3 HE2 LYS 3 0.736 -4.998 -11.878 25 2HE LYS 3 HE3 LYS 3 -0.913 -4.580 -12.301 26 1HZ LYS 3 HZ1 LYS 3 -0.097 -3.853 -14.197 27 2HZ LYS 3 HZ2 LYS 3 0.653 -2.635 -13.409 28 3HZ LYS 3 HZ3 LYS 3 1.451 -4.029 -13.707 29 H LYS 4 HN LYS 4 -2.287 -3.048 -7.155 30 HA LYS 4 HA LYS 4 -4.567 -2.121 -8.694 31 1HB LYS 4 HB2 LYS 4 -5.466 -3.626 -6.901 32 2HB LYS 4 HB3 LYS 4 -4.768 -2.557 -5.701 33 1HG LYS 4 HG2 LYS 4 -7.019 -1.806 -5.926 34 2HG LYS 4 HG3 LYS 4 -6.078 -0.640 -6.835 35 1HD LYS 4 HD2 LYS 4 -6.587 -1.894 -8.950 36 2HD LYS 4 HD3 LYS 4 -7.550 -3.035 -8.033 37 1HE LYS 4 HE2 LYS 4 -9.048 -1.163 -7.290 38 2HE LYS 4 HE3 LYS 4 -8.091 -0.032 -8.226 39 1HZ LYS 4 HZ1 LYS 4 -10.171 -1.129 -9.240 40 2HZ LYS 4 HZ2 LYS 4 -8.849 -0.899 -10.171 41 3HZ LYS 4 HZ3 LYS 4 -9.170 -2.379 -9.560 42 H GLU 5 HN GLU 5 -4.068 -0.070 -9.227 43 HA GLU 5 HA GLU 5 -2.157 1.307 -7.588 44 1HB GLU 5 HB2 GLU 5 -3.536 2.251 -10.138 45 2HB GLU 5 HB3 GLU 5 -2.109 2.957 -9.405 46 1HG GLU 5 HG2 GLU 5 -0.931 1.584 -10.796 47 2HG GLU 5 HG3 GLU 5 -1.326 0.314 -9.654 48 H PHE 6 HN PHE 6 -2.540 3.567 -6.828 49 HA PHE 6 HA PHE 6 -5.287 4.414 -6.690 50 1HB PHE 6 HB2 PHE 6 -3.591 3.741 -4.211 51 2HB PHE 6 HB3 PHE 6 -5.204 4.424 -4.164 52 HD1 PHE 6 HD1 PHE 6 -7.101 3.032 -4.213 53 HD2 PHE 6 HD2 PHE 6 -3.299 1.407 -5.169 54 HE1 PHE 6 HE1 PHE 6 -8.077 0.720 -4.163 55 HE2 PHE 6 HE2 PHE 6 -4.275 -0.905 -5.120 56 HZ PHE 6 HZ PHE 6 -6.653 -1.221 -4.617 57 H HIS 7 HN HIS 7 -5.230 6.422 -4.903 58 HA HIS 7 HA HIS 7 -2.734 7.848 -5.162 59 1HB HIS 7 HB2 HIS 7 -3.417 8.821 -7.075 60 2HB HIS 7 HB3 HIS 7 -5.102 8.415 -6.816 61 HD1 HIS 7 HD1 HIS 7 -3.277 11.295 -7.348 62 HD2 HIS 7 HD2 HIS 7 -5.920 10.200 -4.281 63 HE1 HIS 7 HE1 HIS 7 -4.097 13.472 -6.300 64 H ILE 8 HN ILE 8 -2.385 9.200 -3.414 65 HA ILE 8 HA ILE 8 -4.059 8.886 -1.191 66 HB ILE 8 HB ILE 8 -1.853 10.875 -1.741 67 1HG1 ILE 8 HG12 ILE 8 -0.704 8.917 -1.871 68 2HG1 ILE 8 HG13 ILE 8 -0.697 9.111 -0.130 69 1HG2 ILE 8 HG21 ILE 8 -3.343 10.158 0.783 70 2HG2 ILE 8 HG22 ILE 8 -1.702 10.845 0.811 71 3HG2 ILE 8 HG23 ILE 8 -3.038 11.764 0.078 72 1HD1 ILE 8 HD11 ILE 8 -1.381 6.799 -0.942 73 2HD1 ILE 8 HD12 ILE 8 -2.557 7.579 0.144 74 3HD1 ILE 8 HD13 ILE 8 -2.853 7.544 -1.611 75 H VAL 9 HN VAL 9 -5.908 9.893 -0.607 76 HA VAL 9 HA VAL 9 -6.468 12.462 -1.921 77 HB VAL 9 HB VAL 9 -8.870 11.761 -1.806 78 1HG1 VAL 9 HG11 VAL 9 -7.121 11.474 -3.795 79 2HG1 VAL 9 HG12 VAL 9 -7.487 9.751 -3.536 80 3HG1 VAL 9 HG13 VAL 9 -8.798 10.892 -3.925 81 1HG2 VAL 9 HG21 VAL 9 -7.588 9.263 -0.780 82 2HG2 VAL 9 HG22 VAL 9 -9.142 10.017 -0.348 83 3HG2 VAL 9 HG23 VAL 9 -8.991 9.096 -1.863 84 H ALA 10 HN ALA 10 -5.537 11.035 0.896 85 HA ALA 10 HA ALA 10 -7.422 12.355 2.643 86 1HB ALA 10 HB1 ALA 10 -6.659 10.236 3.396 87 2HB ALA 10 HB2 ALA 10 -4.963 10.618 3.016 88 3HB ALA 10 HB3 ALA 10 -5.771 11.419 4.385 89 H GLU 11 HN GLU 11 -4.653 13.197 0.814 90 HA GLU 11 HA GLU 11 -3.175 14.804 0.916 91 1HB GLU 11 HB2 GLU 11 -4.093 17.054 1.303 92 2HB GLU 11 HB3 GLU 11 -5.244 16.074 0.417 93 1HG GLU 11 HG2 GLU 11 -6.580 15.680 2.407 94 2HG GLU 11 HG3 GLU 11 -5.340 16.344 3.452 95 H THR 12 HN THR 12 -3.643 13.082 3.479 96 HA THR 12 HA THR 12 -2.981 14.774 5.663 97 HB THR 12 HB THR 12 -3.421 11.890 5.068 98 HG1 THR 12 HG1 THR 12 -3.707 13.744 7.329 99 1HG2 THR 12 HG21 THR 12 -1.299 12.826 6.997 100 2HG2 THR 12 HG22 THR 12 -2.444 11.592 7.575 101 3HG2 THR 12 HG23 THR 12 -1.437 11.271 6.143 102 H GLY 13 HN GLY 13 -0.934 12.070 4.422 103 1HA GLY 13 HA1 GLY 13 1.245 13.342 3.500 104 2HA GLY 13 HA2 GLY 13 1.427 13.540 5.232 105 H ILE 14 HN ILE 14 -0.396 10.733 4.758 106 HA ILE 14 HA ILE 14 0.067 8.602 5.148 107 HB ILE 14 HB ILE 14 2.091 9.276 3.025 108 1HG1 ILE 14 HG12 ILE 14 0.489 8.774 1.509 109 2HG1 ILE 14 HG13 ILE 14 -0.207 7.496 2.485 110 1HG2 ILE 14 HG21 ILE 14 3.050 7.280 3.154 111 2HG2 ILE 14 HG22 ILE 14 2.176 7.000 4.678 112 3HG2 ILE 14 HG23 ILE 14 1.468 6.465 3.135 113 1HD1 ILE 14 HD11 ILE 14 -1.816 9.325 2.332 114 2HD1 ILE 14 HD12 ILE 14 -1.207 9.251 4.003 115 3HD1 ILE 14 HD13 ILE 14 -0.596 10.496 2.887 116 H HIS 15 HN HIS 15 0.689 9.525 7.382 117 HA HIS 15 HA HIS 15 3.542 9.173 7.861 118 1HB HIS 15 HB2 HIS 15 2.750 10.068 10.199 119 2HB HIS 15 HB3 HIS 15 3.005 11.158 8.851 120 HD2 HIS 15 HD2 HIS 15 0.698 12.433 7.870 121 HE1 HIS 15 HE1 HIS 15 -1.991 10.772 10.719 122 HE2 HIS 15 HE2 HIS 15 -1.642 12.550 8.871 123 H ALA 16 HN ALA 16 3.778 8.255 10.364 124 HA ALA 16 HA ALA 16 3.528 5.592 10.248 125 1HB ALA 16 HB1 ALA 16 4.705 6.145 12.109 126 2HB ALA 16 HB2 ALA 16 3.754 7.624 12.388 127 3HB ALA 16 HB3 ALA 16 3.129 6.048 12.930 128 H ARG 17 HN ARG 17 0.974 7.951 11.105 129 HA ARG 17 HA ARG 17 -0.817 6.067 12.079 130 1HB ARG 17 HB2 ARG 17 -0.871 8.917 11.230 131 2HB ARG 17 HB3 ARG 17 -2.409 8.103 11.022 132 1HG ARG 17 HG2 ARG 17 -2.306 9.096 13.267 133 2HG ARG 17 HG3 ARG 17 -2.341 7.349 13.403 134 1HD ARG 17 HD2 ARG 17 -0.466 7.512 14.681 135 2HD ARG 17 HD3 ARG 17 0.405 7.922 13.217 136 HE ARG 17 HE ARG 17 -0.608 10.356 13.901 137 1HH1 ARG 17 HH22 ARG 17 1.030 7.914 15.834 138 2HH1 ARG 17 HH21 ARG 17 1.710 9.062 16.940 139 1HH2 ARG 17 HH12 ARG 17 0.288 11.870 15.359 140 2HH2 ARG 17 HH11 ARG 17 1.285 11.327 16.668 141 HA PRO 18 HA PRO 18 -2.745 6.010 7.774 142 1HB PRO 18 HB2 PRO 18 -2.025 7.813 5.851 143 2HB PRO 18 HB3 PRO 18 -3.372 8.064 6.943 144 1HG PRO 18 HG2 PRO 18 -0.696 9.319 6.982 145 2HG PRO 18 HG3 PRO 18 -2.168 9.847 7.773 146 1HD PRO 18 HD2 PRO 18 0.067 8.537 9.004 147 2HD PRO 18 HD3 PRO 18 -1.451 8.961 9.770 148 H ALA 19 HN ALA 19 0.640 6.736 7.760 149 HA ALA 19 HA ALA 19 1.309 5.422 5.407 150 1HB ALA 19 HB1 ALA 19 2.744 6.944 6.834 151 2HB ALA 19 HB2 ALA 19 2.955 5.582 7.960 152 3HB ALA 19 HB3 ALA 19 3.554 5.455 6.288 153 H THR 20 HN THR 20 1.200 4.202 8.828 154 HA THR 20 HA THR 20 1.769 1.527 8.019 155 HB THR 20 HB THR 20 0.463 2.129 10.653 156 HG1 THR 20 HG1 THR 20 2.990 3.205 9.614 157 1HG2 THR 20 HG21 THR 20 1.742 -0.011 10.175 158 2HG2 THR 20 HG22 THR 20 3.199 0.973 9.901 159 3HG2 THR 20 HG23 THR 20 2.443 0.933 11.512 160 H LEU 21 HN LEU 21 -1.189 3.444 8.590 161 HA LEU 21 HA LEU 21 -3.075 1.571 8.903 162 1HB LEU 21 HB2 LEU 21 -3.223 4.119 8.583 163 2HB LEU 21 HB3 LEU 21 -3.406 3.768 6.876 164 HG LEU 21 HG LEU 21 -5.244 2.909 9.123 165 1HD1 LEU 21 HD11 LEU 21 -5.361 5.286 8.321 166 2HD1 LEU 21 HD12 LEU 21 -5.834 4.657 6.725 167 3HD1 LEU 21 HD13 LEU 21 -6.867 4.354 8.143 168 1HD2 LEU 21 HD21 LEU 21 -6.677 1.990 7.254 169 2HD2 LEU 21 HD22 LEU 21 -5.242 2.110 6.207 170 3HD2 LEU 21 HD23 LEU 21 -5.211 1.060 7.644 171 H LEU 22 HN LEU 22 -1.609 2.511 5.720 172 HA LEU 22 HA LEU 22 -3.033 0.466 4.348 173 1HB LEU 22 HB2 LEU 22 -1.407 1.102 2.502 174 2HB LEU 22 HB3 LEU 22 -2.544 2.314 3.057 175 HG LEU 22 HG LEU 22 -0.108 2.551 4.574 176 1HD1 LEU 22 HD11 LEU 22 0.271 2.629 1.567 177 2HD1 LEU 22 HD12 LEU 22 1.453 3.151 2.792 178 3HD1 LEU 22 HD13 LEU 22 0.979 1.439 2.686 179 1HD2 LEU 22 HD21 LEU 22 -1.977 4.238 3.999 180 2HD2 LEU 22 HD22 LEU 22 -0.292 4.811 4.051 181 3HD2 LEU 22 HD23 LEU 22 -1.075 4.491 2.485 182 H VAL 23 HN VAL 23 0.408 0.914 5.409 183 HA VAL 23 HA VAL 23 1.325 -1.529 4.479 184 HB VAL 23 HB VAL 23 3.251 -0.967 5.510 185 1HG1 VAL 23 HG11 VAL 23 3.539 1.210 5.037 186 2HG1 VAL 23 HG12 VAL 23 1.802 1.221 4.649 187 3HG1 VAL 23 HG13 VAL 23 2.356 1.726 6.263 188 1HG2 VAL 23 HG21 VAL 23 2.833 -1.470 7.750 189 2HG2 VAL 23 HG22 VAL 23 3.249 0.260 7.801 190 3HG2 VAL 23 HG23 VAL 23 1.546 -0.249 7.890 191 H GLN 24 HN GLN 24 -0.176 -0.605 7.634 192 HA GLN 24 HA GLN 24 0.190 -3.021 8.879 193 1HB GLN 24 HB2 GLN 24 -1.557 -2.299 10.417 194 2HB GLN 24 HB3 GLN 24 -0.589 -0.908 9.970 195 1HG GLN 24 HG2 GLN 24 -2.283 0.034 8.650 196 2HG GLN 24 HG3 GLN 24 -3.019 -1.516 8.292 197 1HE2 GLN 24 HE21 GLN 24 -5.054 -0.844 8.864 198 2HE2 GLN 24 HE22 GLN 24 -5.558 -0.581 10.500 199 H THR 25 HN THR 25 -2.345 -1.919 6.587 200 HA THR 25 HA THR 25 -3.792 -4.417 6.869 201 HB THR 25 HB THR 25 -4.227 -1.686 5.807 202 HG1 THR 25 HG1 THR 25 -5.770 -4.031 6.663 203 1HG2 THR 25 HG21 THR 25 -4.344 -2.917 3.629 204 2HG2 THR 25 HG22 THR 25 -5.431 -4.113 4.374 205 3HG2 THR 25 HG23 THR 25 -5.966 -2.427 4.173 206 H ALA 26 HN ALA 26 -1.370 -2.925 4.763 207 HA ALA 26 HA ALA 26 -1.764 -4.949 2.736 208 1HB ALA 26 HB1 ALA 26 0.083 -2.570 3.096 209 2HB ALA 26 HB2 ALA 26 0.278 -3.726 1.757 210 3HB ALA 26 HB3 ALA 26 -1.226 -2.787 1.910 211 H SER 27 HN SER 27 0.283 -4.251 5.555 212 HA SER 27 HA SER 27 2.055 -6.404 4.815 213 1HB SER 27 HB2 SER 27 2.652 -4.060 5.940 214 2HB SER 27 HB3 SER 27 2.246 -4.898 7.424 215 HG SER 27 HG SER 27 4.051 -6.066 7.304 216 H LYS 28 HN LYS 28 -0.645 -7.199 5.264 217 HA LYS 28 HA LYS 28 -0.234 -8.930 7.556 218 1HB LYS 28 HB2 LYS 28 -2.589 -8.440 8.346 219 2HB LYS 28 HB3 LYS 28 -1.388 -7.209 8.678 220 1HG LYS 28 HG2 LYS 28 -3.191 -5.947 7.826 221 2HG LYS 28 HG3 LYS 28 -2.154 -6.122 6.424 222 1HD LYS 28 HD2 LYS 28 -4.349 -6.657 5.639 223 2HD LYS 28 HD3 LYS 28 -3.537 -8.202 5.800 224 1HE LYS 28 HE2 LYS 28 -5.554 -8.669 6.886 225 2HE LYS 28 HE3 LYS 28 -4.566 -8.183 8.250 226 1HZ LYS 28 HZ1 LYS 28 -5.837 -5.992 6.950 227 2HZ LYS 28 HZ2 LYS 28 -6.900 -7.070 7.562 228 3HZ LYS 28 HZ3 LYS 28 -5.790 -6.375 8.537 229 H PHE 29 HN PHE 29 -0.227 -9.047 4.533 230 HA PHE 29 HA PHE 29 -2.411 -10.996 4.284 231 1HB PHE 29 HB2 PHE 29 -1.050 -9.191 2.194 232 2HB PHE 29 HB3 PHE 29 -2.334 -10.326 1.832 233 HD1 PHE 29 HD1 PHE 29 -2.041 -7.148 1.614 234 HD2 PHE 29 HD2 PHE 29 -4.116 -9.800 4.196 235 HE1 PHE 29 HE1 PHE 29 -3.747 -5.366 2.074 236 HE2 PHE 29 HE2 PHE 29 -5.823 -8.018 4.656 237 HZ PHE 29 HZ PHE 29 -5.618 -5.822 3.590 238 H ASN 30 HN ASN 30 -1.868 -13.044 3.583 239 HA ASN 30 HA ASN 30 0.785 -13.796 3.730 240 1HB ASN 30 HB2 ASN 30 -1.696 -15.147 2.568 241 2HB ASN 30 HB3 ASN 30 -0.142 -15.958 2.585 242 1HD2 ASN 30 HD21 ASN 30 -2.945 -15.243 4.288 243 2HD2 ASN 30 HD22 ASN 30 -2.495 -15.795 5.867 244 H SER 31 HN SER 31 -0.792 -12.011 1.347 245 HA SER 31 HA SER 31 0.595 -13.248 -0.863 246 1HB SER 31 HB2 SER 31 -1.680 -11.343 -0.541 247 2HB SER 31 HB3 SER 31 -0.664 -11.064 -1.942 248 HG SER 31 HG SER 31 -1.757 -13.663 -1.294 249 H ASP 32 HN ASP 32 1.455 -11.357 -2.518 250 HA ASP 32 HA ASP 32 3.386 -9.940 -0.903 251 1HB ASP 32 HB2 ASP 32 3.185 -10.575 -3.877 252 2HB ASP 32 HB3 ASP 32 4.414 -9.499 -3.243 253 H ILE 33 HN ILE 33 1.731 -8.280 -0.227 254 HA ILE 33 HA ILE 33 0.849 -6.546 -2.410 255 HB ILE 33 HB ILE 33 -0.787 -7.495 -0.771 256 1HG1 ILE 33 HG12 ILE 33 -0.863 -5.204 -2.119 257 2HG1 ILE 33 HG13 ILE 33 -2.146 -5.693 -1.028 258 1HG2 ILE 33 HG21 ILE 33 1.036 -6.157 1.112 259 2HG2 ILE 33 HG22 ILE 33 -0.689 -5.813 1.381 260 3HG2 ILE 33 HG23 ILE 33 -0.109 -7.496 1.365 261 1HD1 ILE 33 HD11 ILE 33 -1.115 -3.276 -0.815 262 2HD1 ILE 33 HD12 ILE 33 -1.475 -4.199 0.664 263 3HD1 ILE 33 HD13 ILE 33 0.195 -4.108 0.056 264 H ASN 34 HN ASN 34 1.770 -4.584 -2.764 265 HA ASN 34 HA ASN 34 3.318 -3.468 -0.582 266 1HB ASN 34 HB2 ASN 34 4.314 -3.694 -3.472 267 2HB ASN 34 HB3 ASN 34 5.171 -2.899 -2.167 268 1HD2 ASN 34 HD21 ASN 34 6.496 -4.774 -3.456 269 2HD2 ASN 34 HD22 ASN 34 6.665 -6.236 -2.543 270 H LEU 35 HN LEU 35 4.107 -1.089 -1.475 271 HA LEU 35 HA LEU 35 1.813 0.034 -2.930 272 1HB LEU 35 HB2 LEU 35 1.460 1.515 -1.331 273 2HB LEU 35 HB3 LEU 35 2.442 0.483 -0.309 274 HG LEU 35 HG LEU 35 4.442 1.838 -0.891 275 1HD1 LEU 35 HD11 LEU 35 3.448 4.235 -1.827 276 2HD1 LEU 35 HD12 LEU 35 4.348 3.027 -2.776 277 3HD1 LEU 35 HD13 LEU 35 2.568 3.027 -2.794 278 1HD2 LEU 35 HD21 LEU 35 3.386 4.039 0.221 279 2HD2 LEU 35 HD22 LEU 35 2.070 2.888 0.555 280 3HD2 LEU 35 HD23 LEU 35 3.718 2.547 1.133 281 H GLU 36 HN GLU 36 2.243 1.520 -4.573 282 HA GLU 36 HA GLU 36 5.085 1.941 -5.074 283 1HB GLU 36 HB2 GLU 36 4.312 0.279 -6.666 284 2HB GLU 36 HB3 GLU 36 2.890 1.224 -7.059 285 1HG GLU 36 HG2 GLU 36 5.571 2.542 -7.441 286 2HG GLU 36 HG3 GLU 36 5.124 1.286 -8.578 287 H TYR 37 HN TYR 37 5.537 4.087 -4.853 288 HA TYR 37 HA TYR 37 3.427 5.975 -5.656 289 1HB TYR 37 HB2 TYR 37 3.986 5.980 -3.225 290 2HB TYR 37 HB3 TYR 37 5.701 5.986 -3.581 291 HD1 TYR 37 HD1 TYR 37 5.802 7.944 -1.987 292 HD2 TYR 37 HD2 TYR 37 3.689 8.122 -5.703 293 HE1 TYR 37 HE1 TYR 37 5.813 10.484 -1.880 294 HE2 TYR 37 HE2 TYR 37 3.707 10.662 -5.583 295 HH TYR 37 HH TYR 37 4.701 12.323 -2.715 296 H LYS 38 HN LYS 38 3.866 7.197 -7.418 297 HA LYS 38 HA LYS 38 4.992 8.371 -8.919 298 1HB LYS 38 HB2 LYS 38 7.436 8.066 -7.150 299 2HB LYS 38 HB3 LYS 38 7.238 9.205 -8.467 300 1HG LYS 38 HG2 LYS 38 4.966 9.683 -6.914 301 2HG LYS 38 HG3 LYS 38 6.180 9.321 -5.702 302 1HD LYS 38 HD2 LYS 38 6.706 11.296 -7.963 303 2HD LYS 38 HD3 LYS 38 5.959 11.793 -6.457 304 1HE LYS 38 HE2 LYS 38 8.342 10.165 -5.939 305 2HE LYS 38 HE3 LYS 38 8.735 11.523 -6.974 306 1HZ LYS 38 HZ1 LYS 38 7.116 12.587 -5.096 307 2HZ LYS 38 HZ2 LYS 38 8.006 11.520 -4.238 308 3HZ LYS 38 HZ3 LYS 38 8.746 12.685 -5.111 309 H GLY 39 HN GLY 39 5.337 5.175 -8.187 310 1HA GLY 39 HA1 GLY 39 5.593 3.753 -10.151 311 2HA GLY 39 HA2 GLY 39 7.009 4.691 -10.581 312 H LYS 40 HN LYS 40 7.038 4.585 -7.232 313 HA LYS 40 HA LYS 40 8.940 2.376 -7.295 314 1HB LYS 40 HB2 LYS 40 9.817 4.443 -6.437 315 2HB LYS 40 HB3 LYS 40 8.468 4.637 -5.337 316 1HG LYS 40 HG2 LYS 40 10.161 2.130 -5.172 317 2HG LYS 40 HG3 LYS 40 10.767 3.619 -4.473 318 1HD LYS 40 HD2 LYS 40 8.103 3.506 -3.572 319 2HD LYS 40 HD3 LYS 40 8.629 1.836 -3.504 320 1HE LYS 40 HE2 LYS 40 9.216 2.781 -1.376 321 2HE LYS 40 HE3 LYS 40 10.723 2.647 -2.261 322 1HZ LYS 40 HZ1 LYS 40 10.409 4.980 -2.918 323 2HZ LYS 40 HZ2 LYS 40 9.101 5.075 -1.944 324 3HZ LYS 40 HZ3 LYS 40 10.577 4.790 -1.304 325 H SER 41 HN SER 41 8.001 0.417 -6.991 326 HA SER 41 HA SER 41 5.814 0.317 -5.084 327 1HB SER 41 HB2 SER 41 4.978 -1.500 -6.256 328 2HB SER 41 HB3 SER 41 5.807 -0.669 -7.557 329 HG SER 41 HG SER 41 7.290 -2.240 -7.682 330 H VAL 42 HN VAL 42 6.383 -0.245 -3.018 331 HA VAL 42 HA VAL 42 8.259 -2.440 -2.685 332 HB VAL 42 HB VAL 42 9.669 -1.276 -1.179 333 1HG1 VAL 42 HG11 VAL 42 10.314 0.803 -2.706 334 2HG1 VAL 42 HG12 VAL 42 10.597 -0.872 -3.239 335 3HG1 VAL 42 HG13 VAL 42 9.176 0.023 -3.830 336 1HG2 VAL 42 HG21 VAL 42 7.820 0.126 -0.178 337 2HG2 VAL 42 HG22 VAL 42 9.369 0.969 -0.419 338 3HG2 VAL 42 HG23 VAL 42 8.022 1.242 -1.550 339 H ASN 43 HN ASN 43 7.887 -3.638 -0.773 340 HA ASN 43 HA ASN 43 5.415 -3.946 0.070 341 1HB ASN 43 HB2 ASN 43 7.638 -4.040 2.146 342 2HB ASN 43 HB3 ASN 43 6.292 -5.146 1.953 343 1HD2 ASN 43 HD21 ASN 43 9.502 -4.840 1.593 344 2HD2 ASN 43 HD22 ASN 43 9.832 -5.982 0.333 345 H LEU 44 HN LEU 44 4.310 -1.853 0.265 346 HA LEU 44 HA LEU 44 4.730 0.405 1.322 347 1HB LEU 44 HB2 LEU 44 2.530 -0.559 2.897 348 2HB LEU 44 HB3 LEU 44 2.541 0.540 1.532 349 HG LEU 44 HG LEU 44 2.556 -1.457 0.004 350 1HD1 LEU 44 HD11 LEU 44 3.478 -3.074 1.630 351 2HD1 LEU 44 HD12 LEU 44 1.946 -3.011 2.533 352 3HD1 LEU 44 HD13 LEU 44 1.973 -3.641 0.868 353 1HD2 LEU 44 HD21 LEU 44 0.505 -0.305 0.288 354 2HD2 LEU 44 HD22 LEU 44 0.138 -2.039 0.450 355 3HD2 LEU 44 HD23 LEU 44 0.244 -1.012 1.900 356 H LYS 45 HN LYS 45 4.733 -2.553 3.373 357 HA LYS 45 HA LYS 45 5.193 -1.158 5.780 358 1HB LYS 45 HB2 LYS 45 5.249 -3.233 6.762 359 2HB LYS 45 HB3 LYS 45 4.332 -3.586 5.311 360 1HG LYS 45 HG2 LYS 45 5.871 -5.192 4.854 361 2HG LYS 45 HG3 LYS 45 6.989 -3.899 4.469 362 1HD LYS 45 HD2 LYS 45 7.771 -3.836 6.826 363 2HD LYS 45 HD3 LYS 45 6.606 -5.069 7.266 364 1HE LYS 45 HE2 LYS 45 7.723 -6.748 5.937 365 2HE LYS 45 HE3 LYS 45 8.687 -5.552 5.094 366 1HZ LYS 45 HZ1 LYS 45 10.118 -6.315 6.670 367 2HZ LYS 45 HZ2 LYS 45 9.509 -5.021 7.459 368 3HZ LYS 45 HZ3 LYS 45 8.977 -6.523 7.819 369 H SER 46 HN SER 46 7.027 -1.122 3.062 370 HA SER 46 HA SER 46 9.551 -1.574 4.355 371 1HB SER 46 HB2 SER 46 8.924 -2.143 1.890 372 2HB SER 46 HB3 SER 46 9.129 -0.432 1.571 373 HG SER 46 HG SER 46 11.328 -0.644 2.501 374 H ILE 47 HN ILE 47 8.947 0.218 5.988 375 HA ILE 47 HA ILE 47 8.524 2.810 5.472 376 HB ILE 47 HB ILE 47 9.294 1.299 7.637 377 1HG1 ILE 47 HG12 ILE 47 8.711 3.255 8.948 378 2HG1 ILE 47 HG13 ILE 47 8.965 4.311 7.573 379 1HG2 ILE 47 HG21 ILE 47 11.412 3.396 7.111 380 2HG2 ILE 47 HG22 ILE 47 11.113 2.652 8.700 381 3HG2 ILE 47 HG23 ILE 47 11.638 1.645 7.330 382 1HD1 ILE 47 HD11 ILE 47 7.139 2.169 6.828 383 2HD1 ILE 47 HD12 ILE 47 6.561 2.990 8.298 384 3HD1 ILE 47 HD13 ILE 47 6.866 3.928 6.816 385 H MET 48 HN MET 48 11.779 1.206 5.445 386 HA MET 48 HA MET 48 13.358 3.270 4.940 387 1HB MET 48 HB2 MET 48 14.165 0.944 5.054 388 2HB MET 48 HB3 MET 48 13.302 0.519 3.589 389 1HG MET 48 HG2 MET 48 14.803 2.531 2.573 390 2HG MET 48 HG3 MET 48 15.854 2.090 3.904 391 1HE MET 48 HE1 MET 48 13.430 -0.397 1.824 392 2HE MET 48 HE2 MET 48 13.923 0.995 0.831 393 3HE MET 48 HE3 MET 48 14.530 -0.633 0.445 394 H GLY 49 HN GLY 49 12.189 1.290 2.125 395 1HA GLY 49 HA1 GLY 49 12.765 3.171 0.174 396 2HA GLY 49 HA2 GLY 49 11.591 1.878 0.040 397 H VAL 50 HN VAL 50 9.649 2.551 1.941 398 HA VAL 50 HA VAL 50 8.175 4.474 0.564 399 HB VAL 50 HB VAL 50 7.878 2.666 2.771 400 1HG1 VAL 50 HG11 VAL 50 6.192 3.987 4.070 401 2HG1 VAL 50 HG12 VAL 50 7.867 4.557 4.263 402 3HG1 VAL 50 HG13 VAL 50 6.741 5.446 3.209 403 1HG2 VAL 50 HG21 VAL 50 5.347 3.388 2.056 404 2HG2 VAL 50 HG22 VAL 50 6.264 3.888 0.614 405 3HG2 VAL 50 HG23 VAL 50 6.343 2.202 1.179 406 H MET 51 HN MET 51 9.960 4.644 3.719 407 HA MET 51 HA MET 51 9.348 7.105 4.506 408 1HB MET 51 HB2 MET 51 10.893 5.760 5.798 409 2HB MET 51 HB3 MET 51 12.012 5.612 4.457 410 1HG MET 51 HG2 MET 51 13.150 7.402 5.267 411 2HG MET 51 HG3 MET 51 11.765 8.409 4.895 412 1HE MET 51 HE1 MET 51 9.577 7.761 8.085 413 2HE MET 51 HE2 MET 51 9.591 7.392 6.344 414 3HE MET 51 HE3 MET 51 10.067 6.146 7.522 415 H SER 52 HN SER 52 11.981 6.321 2.125 416 HA SER 52 HA SER 52 12.731 8.935 1.697 417 1HB SER 52 HB2 SER 52 13.983 8.104 -0.147 418 2HB SER 52 HB3 SER 52 13.908 6.765 0.981 419 HG SER 52 HG SER 52 11.795 6.302 -0.422 420 H LEU 53 HN LEU 53 9.923 7.113 0.639 421 HA LEU 53 HA LEU 53 9.344 9.053 -1.458 422 1HB LEU 53 HB2 LEU 53 8.775 6.270 -0.993 423 2HB LEU 53 HB3 LEU 53 7.276 7.151 -1.213 424 HG LEU 53 HG LEU 53 9.617 7.163 -3.140 425 1HD1 LEU 53 HD11 LEU 53 7.395 5.323 -2.781 426 2HD1 LEU 53 HD12 LEU 53 7.395 6.058 -4.403 427 3HD1 LEU 53 HD13 LEU 53 8.837 5.194 -3.817 428 1HD2 LEU 53 HD21 LEU 53 8.689 8.881 -4.193 429 2HD2 LEU 53 HD22 LEU 53 7.112 8.059 -4.253 430 3HD2 LEU 53 HD23 LEU 53 7.549 9.044 -2.836 431 H GLY 54 HN GLY 54 6.937 7.421 0.626 432 1HA GLY 54 HA1 GLY 54 5.395 8.233 2.050 433 2HA GLY 54 HA2 GLY 54 6.444 9.604 2.351 434 H VAL 55 HN VAL 55 3.407 8.800 1.300 435 HA VAL 55 HA VAL 55 3.303 11.016 -0.622 436 HB VAL 55 HB VAL 55 0.898 9.728 -0.789 437 1HG1 VAL 55 HG11 VAL 55 1.517 9.523 -2.939 438 2HG1 VAL 55 HG12 VAL 55 3.037 10.303 -2.438 439 3HG1 VAL 55 HG13 VAL 55 2.935 8.529 -2.532 440 1HG2 VAL 55 HG21 VAL 55 1.930 7.979 0.799 441 2HG2 VAL 55 HG22 VAL 55 1.134 7.394 -0.682 442 3HG2 VAL 55 HG23 VAL 55 2.910 7.483 -0.602 443 H GLY 56 HN GLY 56 0.690 11.778 -0.498 444 1HA GLY 56 HA1 GLY 56 -0.708 11.980 1.785 445 2HA GLY 56 HA2 GLY 56 0.599 13.112 2.073 446 H GLN 57 HN GLN 57 0.857 14.995 0.685 447 HA GLN 57 HA GLN 57 -1.383 16.325 0.121 448 1HB GLN 57 HB2 GLN 57 1.451 16.534 -0.672 449 2HB GLN 57 HB3 GLN 57 0.374 17.275 -1.839 450 1HG GLN 57 HG2 GLN 57 -0.648 18.678 -0.107 451 2HG GLN 57 HG3 GLN 57 0.220 17.832 1.159 452 1HE2 GLN 57 HE21 GLN 57 0.278 20.603 0.722 453 2HE2 GLN 57 HE22 GLN 57 1.888 21.089 0.305 454 H GLY 58 HN GLY 58 -2.978 14.914 -0.836 455 1HA GLY 58 HA1 GLY 58 -4.038 13.812 -2.501 456 2HA GLY 58 HA2 GLY 58 -3.515 15.177 -3.467 457 H SER 59 HN SER 59 -0.843 13.426 -2.148 458 HA SER 59 HA SER 59 0.275 12.833 -4.519 459 1HB SER 59 HB2 SER 59 0.601 10.992 -2.125 460 2HB SER 59 HB3 SER 59 1.807 11.438 -3.316 461 HG SER 59 HG SER 59 2.339 13.105 -2.097 462 H ASP 60 HN ASP 60 0.772 10.533 -5.432 463 HA ASP 60 HA ASP 60 -1.635 8.906 -5.227 464 1HB ASP 60 HB2 ASP 60 -1.549 8.480 -7.634 465 2HB ASP 60 HB3 ASP 60 -1.615 10.210 -7.361 466 H VAL 61 HN VAL 61 -1.219 6.583 -5.456 467 HA VAL 61 HA VAL 61 1.520 5.760 -5.912 468 HB VAL 61 HB VAL 61 1.604 4.476 -3.823 469 1HG1 VAL 61 HG11 VAL 61 2.311 6.250 -2.441 470 2HG1 VAL 61 HG12 VAL 61 2.514 6.861 -4.101 471 3HG1 VAL 61 HG13 VAL 61 1.117 7.378 -3.126 472 1HG2 VAL 61 HG21 VAL 61 0.007 5.137 -1.975 473 2HG2 VAL 61 HG22 VAL 61 -1.000 5.907 -3.225 474 3HG2 VAL 61 HG23 VAL 61 -0.698 4.154 -3.280 475 H THR 62 HN THR 62 1.550 3.193 -5.716 476 HA THR 62 HA THR 62 -1.029 2.171 -6.691 477 HB THR 62 HB THR 62 1.654 2.294 -8.035 478 HG1 THR 62 HG1 THR 62 0.101 3.191 -9.331 479 1HG2 THR 62 HG21 THR 62 -0.094 -0.181 -7.899 480 2HG2 THR 62 HG22 THR 62 0.651 0.266 -9.453 481 3HG2 THR 62 HG23 THR 62 1.677 -0.070 -8.037 482 H ILE 63 HN ILE 63 -1.675 0.253 -5.859 483 HA ILE 63 HA ILE 63 0.216 -0.973 -3.986 484 HB ILE 63 HB ILE 63 -2.395 -0.082 -3.657 485 1HG1 ILE 63 HG12 ILE 63 -1.982 -1.707 -1.500 486 2HG1 ILE 63 HG13 ILE 63 -0.344 -1.532 -2.097 487 1HG2 ILE 63 HG21 ILE 63 -2.912 -2.330 -4.898 488 2HG2 ILE 63 HG22 ILE 63 -2.545 -3.056 -3.315 489 3HG2 ILE 63 HG23 ILE 63 -3.849 -1.854 -3.461 490 1HD1 ILE 63 HD11 ILE 63 -2.102 0.921 -1.859 491 2HD1 ILE 63 HD12 ILE 63 -1.303 0.255 -0.414 492 3HD1 ILE 63 HD13 ILE 63 -0.327 0.803 -1.798 493 H THR 64 HN THR 64 0.380 -3.314 -3.913 494 HA THR 64 HA THR 64 -0.694 -4.691 -6.259 495 HB THR 64 HB THR 64 2.225 -5.028 -5.502 496 HG1 THR 64 HG1 THR 64 1.104 -3.143 -7.436 497 1HG2 THR 64 HG21 THR 64 2.183 -6.287 -7.406 498 2HG2 THR 64 HG22 THR 64 0.457 -5.916 -7.626 499 3HG2 THR 64 HG23 THR 64 1.694 -4.841 -8.321 500 H VAL 65 HN VAL 65 -0.813 -6.995 -6.040 501 HA VAL 65 HA VAL 65 -0.202 -8.027 -3.393 502 HB VAL 65 HB VAL 65 -2.507 -7.041 -3.352 503 1HG1 VAL 65 HG11 VAL 65 -3.747 -7.368 -5.197 504 2HG1 VAL 65 HG12 VAL 65 -2.778 -8.769 -5.713 505 3HG1 VAL 65 HG13 VAL 65 -4.084 -8.979 -4.521 506 1HG2 VAL 65 HG21 VAL 65 -2.102 -8.613 -1.675 507 2HG2 VAL 65 HG22 VAL 65 -3.565 -9.242 -2.469 508 3HG2 VAL 65 HG23 VAL 65 -1.978 -9.963 -2.829 509 H ASP 66 HN ASP 66 1.141 -9.674 -3.943 510 HA ASP 66 HA ASP 66 0.195 -11.384 -6.107 511 1HB ASP 66 HB2 ASP 66 3.061 -11.625 -5.603 512 2HB ASP 66 HB3 ASP 66 2.233 -11.285 -7.110 513 H GLY 67 HN GLY 67 -0.418 -13.353 -5.199 514 1HA GLY 67 HA1 GLY 67 1.040 -15.183 -3.957 515 2HA GLY 67 HA2 GLY 67 0.671 -14.128 -2.608 516 H ALA 68 HN ALA 68 -0.909 -15.117 -1.411 517 HA ALA 68 HA ALA 68 -3.061 -16.462 -2.855 518 1HB ALA 68 HB1 ALA 68 -2.641 -17.969 -1.232 519 2HB ALA 68 HB2 ALA 68 -1.646 -16.812 -0.316 520 3HB ALA 68 HB3 ALA 68 -3.413 -16.827 -0.106 521 H ASP 69 HN ASP 69 -2.761 -14.373 0.111 522 HA ASP 69 HA ASP 69 -5.252 -13.623 0.427 523 1HB ASP 69 HB2 ASP 69 -2.637 -12.391 0.884 524 2HB ASP 69 HB3 ASP 69 -3.839 -11.155 0.568 525 H GLU 70 HN GLU 70 -3.113 -12.754 -2.270 526 HA GLU 70 HA GLU 70 -3.403 -10.909 -3.665 527 1HB GLU 70 HB2 GLU 70 -5.456 -12.907 -4.675 528 2HB GLU 70 HB3 GLU 70 -4.350 -11.927 -5.617 529 1HG GLU 70 HG2 GLU 70 -2.497 -13.283 -5.127 530 2HG GLU 70 HG3 GLU 70 -3.169 -13.845 -3.610 531 H ALA 71 HN ALA 71 -6.757 -12.235 -3.786 532 HA ALA 71 HA ALA 71 -7.956 -9.774 -4.126 533 1HB ALA 71 HB1 ALA 71 -9.532 -11.308 -4.616 534 2HB ALA 71 HB2 ALA 71 -8.725 -12.553 -3.632 535 3HB ALA 71 HB3 ALA 71 -9.851 -11.405 -2.867 536 H GLU 72 HN GLU 72 -8.373 -11.770 -1.125 537 HA GLU 72 HA GLU 72 -9.339 -9.910 0.477 538 1HB GLU 72 HB2 GLU 72 -7.291 -11.351 1.964 539 2HB GLU 72 HB3 GLU 72 -9.034 -11.518 2.039 540 1HG GLU 72 HG2 GLU 72 -7.357 -12.746 -0.195 541 2HG GLU 72 HG3 GLU 72 -7.730 -13.604 1.287 542 H GLY 73 HN GLY 73 -5.784 -10.463 -0.042 543 1HA GLY 73 HA1 GLY 73 -4.733 -8.564 1.610 544 2HA GLY 73 HA2 GLY 73 -4.051 -9.027 0.064 545 H MET 74 HN MET 74 -4.831 -7.881 -1.927 546 HA MET 74 HA MET 74 -4.672 -5.187 -1.651 547 1HB MET 74 HB2 MET 74 -5.839 -5.259 -4.023 548 2HB MET 74 HB3 MET 74 -4.303 -6.080 -3.830 549 1HG MET 74 HG2 MET 74 -5.565 -7.760 -4.866 550 2HG MET 74 HG3 MET 74 -5.802 -8.173 -3.180 551 1HE MET 74 HE1 MET 74 -8.745 -5.780 -5.776 552 2HE MET 74 HE2 MET 74 -7.594 -4.892 -4.750 553 3HE MET 74 HE3 MET 74 -6.994 -5.976 -6.027 554 H ALA 75 HN ALA 75 -7.595 -7.280 -1.700 555 HA ALA 75 HA ALA 75 -9.590 -5.517 -2.078 556 1HB ALA 75 HB1 ALA 75 -9.207 -7.964 -0.404 557 2HB ALA 75 HB2 ALA 75 -10.665 -6.992 -0.093 558 3HB ALA 75 HB3 ALA 75 -10.363 -7.648 -1.720 559 H ALA 76 HN ALA 76 -8.300 -6.304 1.235 560 HA ALA 76 HA ALA 76 -9.594 -4.314 2.582 561 1HB ALA 76 HB1 ALA 76 -8.513 -5.464 4.182 562 2HB ALA 76 HB2 ALA 76 -7.372 -6.135 2.993 563 3HB ALA 76 HB3 ALA 76 -7.036 -4.565 3.761 564 H ILE 77 HN ILE 77 -6.205 -4.156 1.262 565 HA ILE 77 HA ILE 77 -5.661 -1.569 1.859 566 HB ILE 77 HB ILE 77 -4.741 -3.562 -0.052 567 1HG1 ILE 77 HG12 ILE 77 -3.473 -3.250 1.899 568 2HG1 ILE 77 HG13 ILE 77 -2.528 -2.508 0.624 569 1HG2 ILE 77 HG21 ILE 77 -3.614 -2.115 -1.596 570 2HG2 ILE 77 HG22 ILE 77 -5.351 -1.732 -1.632 571 3HG2 ILE 77 HG23 ILE 77 -4.222 -0.665 -0.763 572 1HD1 ILE 77 HD11 ILE 77 -2.448 -0.840 2.258 573 2HD1 ILE 77 HD12 ILE 77 -3.860 -0.308 1.314 574 3HD1 ILE 77 HD13 ILE 77 -4.093 -1.190 2.842 575 H VAL 78 HN VAL 78 -7.217 -2.742 -1.210 576 HA VAL 78 HA VAL 78 -7.662 -0.298 -2.347 577 HB VAL 78 HB VAL 78 -9.612 -2.596 -2.440 578 1HG1 VAL 78 HG11 VAL 78 -10.330 -1.752 -4.437 579 2HG1 VAL 78 HG12 VAL 78 -9.798 -0.231 -3.682 580 3HG1 VAL 78 HG13 VAL 78 -8.741 -1.063 -4.847 581 1HG2 VAL 78 HG21 VAL 78 -6.786 -2.656 -3.028 582 2HG2 VAL 78 HG22 VAL 78 -7.989 -3.964 -3.124 583 3HG2 VAL 78 HG23 VAL 78 -7.725 -2.894 -4.521 584 H GLU 79 HN GLU 79 -10.033 -2.162 -0.308 585 HA GLU 79 HA GLU 79 -11.905 -0.189 -0.183 586 1HB GLU 79 HB2 GLU 79 -11.284 -2.666 1.250 587 2HB GLU 79 HB3 GLU 79 -11.996 -1.483 2.329 588 1HG GLU 79 HG2 GLU 79 -13.420 -1.469 -0.217 589 2HG GLU 79 HG3 GLU 79 -13.338 -3.106 0.403 590 H THR 80 HN THR 80 -8.995 -0.722 1.877 591 HA THR 80 HA THR 80 -9.599 1.330 3.725 592 HB THR 80 HB THR 80 -7.630 -0.714 3.283 593 HG1 THR 80 HG1 THR 80 -7.361 -0.168 5.554 594 1HG2 THR 80 HG21 THR 80 -6.080 1.030 2.419 595 2HG2 THR 80 HG22 THR 80 -6.480 2.080 3.800 596 3HG2 THR 80 HG23 THR 80 -5.604 0.553 4.067 597 H LEU 81 HN LEU 81 -7.458 1.243 0.804 598 HA LEU 81 HA LEU 81 -6.433 3.734 0.923 599 1HB LEU 81 HB2 LEU 81 -7.290 1.965 -1.327 600 2HB LEU 81 HB3 LEU 81 -6.770 3.599 -1.690 601 HG LEU 81 HG LEU 81 -5.113 1.487 -1.625 602 1HD1 LEU 81 HD11 LEU 81 -4.698 3.873 -2.354 603 2HD1 LEU 81 HD12 LEU 81 -4.192 4.208 -0.680 604 3HD1 LEU 81 HD13 LEU 81 -3.303 3.015 -1.658 605 1HD2 LEU 81 HD21 LEU 81 -5.135 2.563 1.198 606 2HD2 LEU 81 HD22 LEU 81 -5.302 0.879 0.647 607 3HD2 LEU 81 HD23 LEU 81 -3.737 1.713 0.497 608 H GLN 82 HN GLN 82 -9.746 2.794 -0.135 609 HA GLN 82 HA GLN 82 -10.343 5.602 -0.485 610 1HB GLN 82 HB2 GLN 82 -12.373 3.411 -0.909 611 2HB GLN 82 HB3 GLN 82 -12.199 4.935 -1.757 612 1HG GLN 82 HG2 GLN 82 -10.695 4.077 -3.260 613 2HG GLN 82 HG3 GLN 82 -9.826 3.180 -2.030 614 1HE2 GLN 82 HE21 GLN 82 -11.710 1.592 -0.921 615 2HE2 GLN 82 HE22 GLN 82 -12.339 0.454 -2.066 616 H LYS 83 HN LYS 83 -10.535 3.085 1.871 617 HA LYS 83 HA LYS 83 -12.895 4.095 3.165 618 1HB LYS 83 HB2 LYS 83 -12.905 2.021 3.957 619 2HB LYS 83 HB3 LYS 83 -11.354 1.699 3.210 620 1HG LYS 83 HG2 LYS 83 -10.167 2.600 5.182 621 2HG LYS 83 HG3 LYS 83 -11.686 3.070 5.920 622 1HD LYS 83 HD2 LYS 83 -10.475 0.733 6.511 623 2HD LYS 83 HD3 LYS 83 -12.218 0.909 6.547 624 1HE LYS 83 HE2 LYS 83 -12.277 0.131 4.119 625 2HE LYS 83 HE3 LYS 83 -10.558 -0.190 4.230 626 1HZ LYS 83 HZ1 LYS 83 -11.936 -1.336 6.401 627 2HZ LYS 83 HZ2 LYS 83 -12.571 -1.854 4.988 628 3HZ LYS 83 HZ3 LYS 83 -10.979 -2.059 5.292 629 H GLU 84 HN GLU 84 -9.323 4.292 3.527 630 HA GLU 84 HA GLU 84 -9.676 5.936 5.863 631 1HB GLU 84 HB2 GLU 84 -7.027 5.364 4.504 632 2HB GLU 84 HB3 GLU 84 -7.331 5.708 6.195 633 1HG GLU 84 HG2 GLU 84 -8.340 3.204 4.767 634 2HG GLU 84 HG3 GLU 84 -6.851 3.264 5.689 635 H GLY 85 HN GLY 85 -10.238 6.538 2.751 636 1HA GLY 85 HA1 GLY 85 -10.166 8.338 1.408 637 2HA GLY 85 HA2 GLY 85 -10.027 9.289 2.874 638 H LEU 86 HN LEU 86 -7.488 6.951 2.539 639 HA LEU 86 HA LEU 86 -5.605 9.084 2.077 640 1HB LEU 86 HB2 LEU 86 -5.179 7.480 3.824 641 2HB LEU 86 HB3 LEU 86 -5.292 6.145 2.694 642 HG LEU 86 HG LEU 86 -3.263 8.120 1.924 643 1HD1 LEU 86 HD11 LEU 86 -2.917 8.475 4.245 644 2HD1 LEU 86 HD12 LEU 86 -3.051 6.737 4.605 645 3HD1 LEU 86 HD13 LEU 86 -1.646 7.353 3.702 646 1HD2 LEU 86 HD21 LEU 86 -1.911 6.133 1.579 647 2HD2 LEU 86 HD22 LEU 86 -3.116 5.135 2.428 648 3HD2 LEU 86 HD23 LEU 86 -3.532 5.906 0.879 649 H ALA 87 HN ALA 87 -7.540 7.122 0.137 650 HA ALA 87 HA ALA 87 -6.023 7.820 -2.178 651 1HB ALA 87 HB1 ALA 87 -5.809 5.117 -0.987 652 2HB ALA 87 HB2 ALA 87 -6.232 5.134 -2.716 653 3HB ALA 87 HB3 ALA 87 -4.748 5.941 -2.154 654 H GLU 88 HN GLU 88 -7.257 7.297 -4.180 655 HA GLU 88 HA GLU 88 -10.066 7.387 -3.549 656 1HB GLU 88 HB2 GLU 88 -10.208 7.859 -6.095 657 2HB GLU 88 HB3 GLU 88 -9.463 9.080 -5.082 658 1HG GLU 88 HG2 GLU 88 -7.368 8.748 -5.979 659 2HG GLU 88 HG3 GLU 88 -7.571 7.010 -6.083 660 H GLN 89 HN GLN 89 -11.320 6.294 -5.744 661 HA GLN 89 HA GLN 89 -11.563 3.709 -5.172 662 1HB GLN 89 HB2 GLN 89 -12.570 3.415 -7.399 663 2HB GLN 89 HB3 GLN 89 -13.037 4.961 -6.720 664 1HG GLN 89 HG2 GLN 89 -10.551 5.285 -8.193 665 2HG GLN 89 HG3 GLN 89 -11.719 4.468 -9.214 666 1HE2 GLN 89 HE21 GLN 89 -10.787 6.995 -9.767 667 2HE2 GLN 89 HE22 GLN 89 -12.057 8.163 -9.606 Start of MODEL 8 1 H MET 1 HN MET 1 -3.807 -10.625 -7.060 2 HA MET 1 HA MET 1 -1.533 -12.314 -7.721 3 1HB MET 1 HB2 MET 1 -4.443 -12.236 -8.408 4 2HB MET 1 HB3 MET 1 -3.406 -12.596 -9.773 5 1HG MET 1 HG2 MET 1 -2.400 -14.164 -7.609 6 2HG MET 1 HG3 MET 1 -4.144 -14.317 -7.534 7 1HE MET 1 HE1 MET 1 -3.446 -16.588 -7.670 8 2HE MET 1 HE2 MET 1 -3.938 -17.429 -9.160 9 3HE MET 1 HE3 MET 1 -2.211 -17.167 -8.815 10 H GLU 2 HN GLU 2 -2.385 -9.137 -7.969 11 HA GLU 2 HA GLU 2 -0.718 -8.820 -10.274 12 1HB GLU 2 HB2 GLU 2 -3.364 -7.358 -10.359 13 2HB GLU 2 HB3 GLU 2 -2.240 -7.668 -11.667 14 1HG GLU 2 HG2 GLU 2 -2.790 -10.092 -11.597 15 2HG GLU 2 HG3 GLU 2 -3.866 -9.826 -10.240 16 H LYS 3 HN LYS 3 -2.003 -5.948 -10.424 17 HA LYS 3 HA LYS 3 -0.972 -4.940 -7.878 18 1HB LYS 3 HB2 LYS 3 0.798 -3.951 -8.788 19 2HB LYS 3 HB3 LYS 3 0.482 -4.837 -10.266 20 1HG LYS 3 HG2 LYS 3 -1.208 -2.934 -10.840 21 2HG LYS 3 HG3 LYS 3 -0.454 -2.034 -9.538 22 1HD LYS 3 HD2 LYS 3 0.686 -1.388 -11.562 23 2HD LYS 3 HD3 LYS 3 1.797 -2.412 -10.674 24 1HE LYS 3 HE2 LYS 3 1.860 -3.932 -12.363 25 2HE LYS 3 HE3 LYS 3 0.113 -4.066 -12.385 26 1HZ LYS 3 HZ1 LYS 3 0.078 -2.012 -13.695 27 2HZ LYS 3 HZ2 LYS 3 1.710 -2.014 -13.751 28 3HZ LYS 3 HZ3 LYS 3 0.868 -3.224 -14.453 29 H LYS 4 HN LYS 4 -1.977 -3.024 -7.144 30 HA LYS 4 HA LYS 4 -4.198 -2.109 -8.829 31 1HB LYS 4 HB2 LYS 4 -4.874 -3.704 -6.951 32 2HB LYS 4 HB3 LYS 4 -4.395 -2.446 -5.830 33 1HG LYS 4 HG2 LYS 4 -6.742 -2.117 -6.188 34 2HG LYS 4 HG3 LYS 4 -5.950 -0.852 -7.107 35 1HD LYS 4 HD2 LYS 4 -6.105 -2.328 -9.168 36 2HD LYS 4 HD3 LYS 4 -7.020 -3.487 -8.224 37 1HE LYS 4 HE2 LYS 4 -8.741 -1.719 -7.744 38 2HE LYS 4 HE3 LYS 4 -7.832 -0.581 -8.718 39 1HZ LYS 4 HZ1 LYS 4 -8.149 -2.821 -10.262 40 2HZ LYS 4 HZ2 LYS 4 -9.605 -2.573 -9.566 41 3HZ LYS 4 HZ3 LYS 4 -8.907 -1.386 -10.443 42 H GLU 5 HN GLU 5 -3.732 -0.064 -9.426 43 HA GLU 5 HA GLU 5 -1.959 1.472 -7.808 44 1HB GLU 5 HB2 GLU 5 -3.502 2.366 -10.279 45 2HB GLU 5 HB3 GLU 5 -2.061 3.108 -9.613 46 1HG GLU 5 HG2 GLU 5 -0.911 1.799 -11.084 47 2HG GLU 5 HG3 GLU 5 -1.212 0.492 -9.957 48 H PHE 6 HN PHE 6 -2.528 3.799 -7.190 49 HA PHE 6 HA PHE 6 -5.281 4.453 -6.932 50 1HB PHE 6 HB2 PHE 6 -3.589 3.683 -4.477 51 2HB PHE 6 HB3 PHE 6 -5.191 4.386 -4.386 52 HD1 PHE 6 HD1 PHE 6 -3.315 1.362 -4.655 53 HD2 PHE 6 HD2 PHE 6 -7.132 3.062 -5.392 54 HE1 PHE 6 HE1 PHE 6 -4.326 -0.935 -4.716 55 HE2 PHE 6 HE2 PHE 6 -8.143 0.766 -5.453 56 HZ PHE 6 HZ PHE 6 -6.728 -1.206 -5.114 57 H HIS 7 HN HIS 7 -5.283 6.354 -4.987 58 HA HIS 7 HA HIS 7 -2.855 7.901 -5.237 59 1HB HIS 7 HB2 HIS 7 -3.654 8.999 -7.026 60 2HB HIS 7 HB3 HIS 7 -5.299 8.454 -6.764 61 HD1 HIS 7 HD1 HIS 7 -3.560 11.484 -6.983 62 HD2 HIS 7 HD2 HIS 7 -6.305 9.976 -4.192 63 HE1 HIS 7 HE1 HIS 7 -4.537 13.508 -5.775 64 H ILE 8 HN ILE 8 -2.559 9.340 -3.500 65 HA ILE 8 HA ILE 8 -4.101 8.740 -1.199 66 HB ILE 8 HB ILE 8 -1.951 10.793 -1.726 67 1HG1 ILE 8 HG12 ILE 8 -0.771 8.865 -1.919 68 2HG1 ILE 8 HG13 ILE 8 -0.756 8.991 -0.171 69 1HG2 ILE 8 HG21 ILE 8 -3.217 11.569 0.144 70 2HG2 ILE 8 HG22 ILE 8 -3.271 9.941 0.861 71 3HG2 ILE 8 HG23 ILE 8 -1.728 10.823 0.770 72 1HD1 ILE 8 HD11 ILE 8 -1.406 6.720 -0.780 73 2HD1 ILE 8 HD12 ILE 8 -2.826 7.541 -0.090 74 3HD1 ILE 8 HD13 ILE 8 -2.688 7.331 -1.852 75 H VAL 9 HN VAL 9 -5.889 9.720 -0.385 76 HA VAL 9 HA VAL 9 -6.628 12.286 -1.614 77 HB VAL 9 HB VAL 9 -8.991 11.523 -1.277 78 1HG1 VAL 9 HG11 VAL 9 -7.722 9.562 -3.147 79 2HG1 VAL 9 HG12 VAL 9 -9.099 10.663 -3.400 80 3HG1 VAL 9 HG13 VAL 9 -7.436 11.297 -3.426 81 1HG2 VAL 9 HG21 VAL 9 -8.857 9.776 0.296 82 2HG2 VAL 9 HG22 VAL 9 -9.247 8.966 -1.240 83 3HG2 VAL 9 HG23 VAL 9 -7.581 8.933 -0.614 84 H ALA 10 HN ALA 10 -5.339 10.948 1.068 85 HA ALA 10 HA ALA 10 -7.103 12.176 3.008 86 1HB ALA 10 HB1 ALA 10 -5.186 11.313 4.547 87 2HB ALA 10 HB2 ALA 10 -6.227 10.118 3.736 88 3HB ALA 10 HB3 ALA 10 -4.606 10.471 3.090 89 H GLU 11 HN GLU 11 -4.361 12.981 1.022 90 HA GLU 11 HA GLU 11 -2.917 14.623 1.031 91 1HB GLU 11 HB2 GLU 11 -3.886 16.879 1.291 92 2HB GLU 11 HB3 GLU 11 -4.986 15.825 0.425 93 1HG GLU 11 HG2 GLU 11 -6.358 15.485 2.409 94 2HG GLU 11 HG3 GLU 11 -5.172 16.263 3.438 95 H THR 12 HN THR 12 -3.335 13.048 3.680 96 HA THR 12 HA THR 12 -2.660 14.942 5.725 97 HB THR 12 HB THR 12 -3.949 12.646 5.853 98 HG1 THR 12 HG1 THR 12 -3.263 13.951 7.692 99 1HG2 THR 12 HG21 THR 12 -1.049 11.733 6.231 100 2HG2 THR 12 HG22 THR 12 -2.512 10.745 6.462 101 3HG2 THR 12 HG23 THR 12 -2.053 11.287 4.830 102 H GLY 13 HN GLY 13 -0.848 12.249 4.097 103 1HA GLY 13 HA1 GLY 13 1.391 13.175 3.295 104 2HA GLY 13 HA2 GLY 13 1.637 13.565 4.985 105 H ILE 14 HN ILE 14 -0.314 10.725 4.344 106 HA ILE 14 HA ILE 14 0.030 8.635 5.062 107 HB ILE 14 HB ILE 14 2.133 9.119 2.974 108 1HG1 ILE 14 HG12 ILE 14 0.612 8.276 1.467 109 2HG1 ILE 14 HG13 ILE 14 -0.221 7.301 2.663 110 1HG2 ILE 14 HG21 ILE 14 3.136 7.170 3.313 111 2HG2 ILE 14 HG22 ILE 14 2.214 6.996 4.826 112 3HG2 ILE 14 HG23 ILE 14 1.574 6.316 3.310 113 1HD1 ILE 14 HD11 ILE 14 -1.607 9.235 1.960 114 2HD1 ILE 14 HD12 ILE 14 -1.192 9.346 3.687 115 3HD1 ILE 14 HD13 ILE 14 -0.328 10.349 2.498 116 H HIS 15 HN HIS 15 0.518 9.490 7.287 117 HA HIS 15 HA HIS 15 3.345 9.277 7.945 118 1HB HIS 15 HB2 HIS 15 2.312 10.045 10.252 119 2HB HIS 15 HB3 HIS 15 2.647 11.185 8.964 120 HD2 HIS 15 HD2 HIS 15 0.345 12.246 7.653 121 HE1 HIS 15 HE1 HIS 15 -2.448 10.659 10.444 122 HE2 HIS 15 HE2 HIS 15 -2.058 12.320 8.498 123 H ALA 16 HN ALA 16 3.592 8.258 10.351 124 HA ALA 16 HA ALA 16 3.428 5.594 10.150 125 1HB ALA 16 HB1 ALA 16 3.413 5.610 12.687 126 2HB ALA 16 HB2 ALA 16 4.637 6.661 11.936 127 3HB ALA 16 HB3 ALA 16 3.146 7.367 12.604 128 H ARG 17 HN ARG 17 0.797 7.841 11.055 129 HA ARG 17 HA ARG 17 -0.933 5.886 11.991 130 1HB ARG 17 HB2 ARG 17 -1.091 8.741 11.158 131 2HB ARG 17 HB3 ARG 17 -2.599 7.869 10.965 132 1HG ARG 17 HG2 ARG 17 -2.544 8.836 13.207 133 2HG ARG 17 HG3 ARG 17 -2.437 7.093 13.351 134 1HD ARG 17 HD2 ARG 17 -0.625 7.526 14.686 135 2HD ARG 17 HD3 ARG 17 0.237 7.738 13.175 136 HE ARG 17 HE ARG 17 -0.796 10.239 13.543 137 1HH1 ARG 17 HH22 ARG 17 0.919 8.084 15.734 138 2HH1 ARG 17 HH21 ARG 17 1.614 9.372 16.661 139 1HH2 ARG 17 HH12 ARG 17 0.121 11.938 14.766 140 2HH2 ARG 17 HH11 ARG 17 1.157 11.578 16.106 141 HA PRO 18 HA PRO 18 -2.843 5.810 7.680 142 1HB PRO 18 HB2 PRO 18 -2.191 7.666 5.783 143 2HB PRO 18 HB3 PRO 18 -3.549 7.848 6.875 144 1HG PRO 18 HG2 PRO 18 -0.925 9.207 6.938 145 2HG PRO 18 HG3 PRO 18 -2.418 9.666 7.732 146 1HD PRO 18 HD2 PRO 18 -0.135 8.429 8.952 147 2HD PRO 18 HD3 PRO 18 -1.671 8.782 9.719 148 H ALA 19 HN ALA 19 0.511 6.680 7.673 149 HA ALA 19 HA ALA 19 1.239 5.427 5.308 150 1HB ALA 19 HB1 ALA 19 3.475 5.537 6.194 151 2HB ALA 19 HB2 ALA 19 2.605 6.975 6.781 152 3HB ALA 19 HB3 ALA 19 2.872 5.590 7.868 153 H THR 20 HN THR 20 1.204 4.139 8.708 154 HA THR 20 HA THR 20 1.837 1.498 7.826 155 HB THR 20 HB THR 20 0.594 1.984 10.508 156 HG1 THR 20 HG1 THR 20 2.796 3.111 10.941 157 1HG2 THR 20 HG21 THR 20 3.286 0.895 9.530 158 2HG2 THR 20 HG22 THR 20 2.789 0.968 11.237 159 3HG2 THR 20 HG23 THR 20 1.907 -0.076 10.097 160 H LEU 21 HN LEU 21 -1.146 3.340 8.431 161 HA LEU 21 HA LEU 21 -2.977 1.402 8.790 162 1HB LEU 21 HB2 LEU 21 -3.151 3.981 8.462 163 2HB LEU 21 HB3 LEU 21 -3.479 3.577 6.788 164 HG LEU 21 HG LEU 21 -5.090 2.747 9.213 165 1HD1 LEU 21 HD11 LEU 21 -5.758 4.538 6.861 166 2HD1 LEU 21 HD12 LEU 21 -6.876 4.068 8.163 167 3HD1 LEU 21 HD13 LEU 21 -5.443 5.056 8.534 168 1HD2 LEU 21 HD21 LEU 21 -6.663 1.734 7.534 169 2HD2 LEU 21 HD22 LEU 21 -5.368 1.895 6.323 170 3HD2 LEU 21 HD23 LEU 21 -5.125 0.865 7.754 171 H LEU 22 HN LEU 22 -1.590 2.429 5.600 172 HA LEU 22 HA LEU 22 -3.002 0.383 4.214 173 1HB LEU 22 HB2 LEU 22 -1.463 1.083 2.341 174 2HB LEU 22 HB3 LEU 22 -2.557 2.295 2.978 175 HG LEU 22 HG LEU 22 -0.139 2.546 4.443 176 1HD1 LEU 22 HD11 LEU 22 0.872 1.228 2.563 177 2HD1 LEU 22 HD12 LEU 22 0.414 2.554 1.467 178 3HD1 LEU 22 HD13 LEU 22 1.560 2.853 2.796 179 1HD2 LEU 22 HD21 LEU 22 -0.610 4.477 2.271 180 2HD2 LEU 22 HD22 LEU 22 -2.017 4.178 3.320 181 3HD2 LEU 22 HD23 LEU 22 -0.478 4.723 4.029 182 H VAL 23 HN VAL 23 0.444 0.874 5.234 183 HA VAL 23 HA VAL 23 1.387 -1.538 4.241 184 HB VAL 23 HB VAL 23 3.323 -0.937 5.216 185 1HG1 VAL 23 HG11 VAL 23 1.932 1.196 4.361 186 2HG1 VAL 23 HG12 VAL 23 2.191 1.689 6.052 187 3HG1 VAL 23 HG13 VAL 23 3.585 1.317 5.010 188 1HG2 VAL 23 HG21 VAL 23 3.394 0.171 7.548 189 2HG2 VAL 23 HG22 VAL 23 1.690 -0.324 7.680 190 3HG2 VAL 23 HG23 VAL 23 2.958 -1.552 7.449 191 H GLN 24 HN GLN 24 -0.060 -0.685 7.441 192 HA GLN 24 HA GLN 24 0.371 -3.112 8.642 193 1HB GLN 24 HB2 GLN 24 -1.348 -2.440 10.230 194 2HB GLN 24 HB3 GLN 24 -0.423 -1.023 9.775 195 1HG GLN 24 HG2 GLN 24 -2.167 -0.121 8.476 196 2HG GLN 24 HG3 GLN 24 -2.899 -1.685 8.176 197 1HE2 GLN 24 HE21 GLN 24 -3.979 -2.776 9.915 198 2HE2 GLN 24 HE22 GLN 24 -4.745 -1.880 11.184 199 H THR 25 HN THR 25 -2.246 -2.016 6.436 200 HA THR 25 HA THR 25 -3.650 -4.534 6.712 201 HB THR 25 HB THR 25 -4.145 -1.801 5.731 202 HG1 THR 25 HG1 THR 25 -5.734 -4.201 6.318 203 1HG2 THR 25 HG21 THR 25 -4.941 -4.204 4.031 204 2HG2 THR 25 HG22 THR 25 -5.975 -2.758 4.123 205 3HG2 THR 25 HG23 THR 25 -4.319 -2.628 3.485 206 H ALA 26 HN ALA 26 -1.154 -3.112 4.702 207 HA ALA 26 HA ALA 26 -1.603 -5.044 2.592 208 1HB ALA 26 HB1 ALA 26 -0.954 -2.914 1.805 209 2HB ALA 26 HB2 ALA 26 0.293 -2.730 3.062 210 3HB ALA 26 HB3 ALA 26 0.541 -3.876 1.723 211 H SER 27 HN SER 27 0.486 -4.462 5.425 212 HA SER 27 HA SER 27 2.119 -6.719 4.675 213 1HB SER 27 HB2 SER 27 3.013 -4.501 5.665 214 2HB SER 27 HB3 SER 27 2.355 -5.037 7.198 215 HG SER 27 HG SER 27 3.723 -7.134 6.303 216 H LYS 28 HN LYS 28 -0.622 -7.341 5.169 217 HA LYS 28 HA LYS 28 -0.284 -9.069 7.480 218 1HB LYS 28 HB2 LYS 28 -2.600 -8.456 8.275 219 2HB LYS 28 HB3 LYS 28 -1.353 -7.258 8.558 220 1HG LYS 28 HG2 LYS 28 -3.147 -5.978 7.688 221 2HG LYS 28 HG3 LYS 28 -2.097 -6.192 6.302 222 1HD LYS 28 HD2 LYS 28 -4.310 -6.687 5.516 223 2HD LYS 28 HD3 LYS 28 -3.506 -8.237 5.667 224 1HE LYS 28 HE2 LYS 28 -5.028 -7.205 8.060 225 2HE LYS 28 HE3 LYS 28 -5.956 -7.807 6.701 226 1HZ LYS 28 HZ1 LYS 28 -5.584 -9.765 7.645 227 2HZ LYS 28 HZ2 LYS 28 -4.088 -9.689 6.995 228 3HZ LYS 28 HZ3 LYS 28 -4.326 -9.245 8.548 229 H PHE 29 HN PHE 29 -0.268 -9.258 4.469 230 HA PHE 29 HA PHE 29 -2.591 -11.037 4.217 231 1HB PHE 29 HB2 PHE 29 -0.962 -9.442 2.148 232 2HB PHE 29 HB3 PHE 29 -2.288 -10.510 1.732 233 HD1 PHE 29 HD1 PHE 29 -1.914 -7.458 1.228 234 HD2 PHE 29 HD2 PHE 29 -4.060 -9.689 4.130 235 HE1 PHE 29 HE1 PHE 29 -3.530 -5.557 1.495 236 HE2 PHE 29 HE2 PHE 29 -5.677 -7.788 4.397 237 HZ PHE 29 HZ PHE 29 -5.392 -5.744 3.076 238 H ASN 30 HN ASN 30 -2.171 -13.175 3.862 239 HA ASN 30 HA ASN 30 0.325 -14.194 4.145 240 1HB ASN 30 HB2 ASN 30 -2.309 -15.191 3.143 241 2HB ASN 30 HB3 ASN 30 -0.933 -16.135 2.608 242 1HD2 ASN 30 HD21 ASN 30 -2.670 -17.382 4.145 243 2HD2 ASN 30 HD22 ASN 30 -2.090 -17.635 5.758 244 H SER 31 HN SER 31 -1.043 -12.519 1.455 245 HA SER 31 HA SER 31 0.809 -13.790 -0.392 246 1HB SER 31 HB2 SER 31 -0.530 -12.612 -2.165 247 2HB SER 31 HB3 SER 31 -1.471 -13.748 -1.219 248 HG SER 31 HG SER 31 -2.203 -11.328 -1.661 249 H ASP 32 HN ASP 32 1.302 -11.810 -2.241 250 HA ASP 32 HA ASP 32 2.954 -10.064 -0.695 251 1HB ASP 32 HB2 ASP 32 3.056 -11.246 -3.269 252 2HB ASP 32 HB3 ASP 32 2.866 -9.532 -3.582 253 H ILE 33 HN ILE 33 2.926 -7.655 -1.067 254 HA ILE 33 HA ILE 33 1.014 -6.356 -2.587 255 HB ILE 33 HB ILE 33 -0.561 -7.506 -1.050 256 1HG1 ILE 33 HG12 ILE 33 -0.832 -5.160 -2.197 257 2HG1 ILE 33 HG13 ILE 33 -2.031 -5.749 -1.063 258 1HG2 ILE 33 HG21 ILE 33 0.086 -7.669 1.084 259 2HG2 ILE 33 HG22 ILE 33 1.185 -6.274 0.962 260 3HG2 ILE 33 HG23 ILE 33 -0.552 -6.016 1.253 261 1HD1 ILE 33 HD11 ILE 33 -1.079 -3.307 -0.785 262 2HD1 ILE 33 HD12 ILE 33 -1.316 -4.315 0.663 263 3HD1 ILE 33 HD13 ILE 33 0.310 -4.128 -0.034 264 H ASN 34 HN ASN 34 2.099 -4.509 -2.971 265 HA ASN 34 HA ASN 34 3.345 -3.253 -0.663 266 1HB ASN 34 HB2 ASN 34 4.576 -3.506 -3.459 267 2HB ASN 34 HB3 ASN 34 5.278 -2.596 -2.137 268 1HD2 ASN 34 HD21 ASN 34 6.812 -4.439 -3.228 269 2HD2 ASN 34 HD22 ASN 34 7.001 -5.841 -2.229 270 H LEU 35 HN LEU 35 4.153 -0.864 -1.619 271 HA LEU 35 HA LEU 35 1.887 0.144 -3.197 272 1HB LEU 35 HB2 LEU 35 1.450 1.703 -1.688 273 2HB LEU 35 HB3 LEU 35 2.356 0.692 -0.579 274 HG LEU 35 HG LEU 35 4.398 2.022 -1.058 275 1HD1 LEU 35 HD11 LEU 35 2.695 3.132 -3.142 276 2HD1 LEU 35 HD12 LEU 35 3.435 4.396 -2.131 277 3HD1 LEU 35 HD13 LEU 35 4.464 3.195 -2.948 278 1HD2 LEU 35 HD21 LEU 35 3.692 2.942 0.845 279 2HD2 LEU 35 HD22 LEU 35 3.082 4.280 -0.157 280 3HD2 LEU 35 HD23 LEU 35 1.993 2.953 0.314 281 H GLU 36 HN GLU 36 2.340 1.663 -4.828 282 HA GLU 36 HA GLU 36 5.185 2.140 -5.239 283 1HB GLU 36 HB2 GLU 36 4.385 0.331 -6.759 284 2HB GLU 36 HB3 GLU 36 3.151 1.402 -7.391 285 1HG GLU 36 HG2 GLU 36 4.897 2.969 -8.214 286 2HG GLU 36 HG3 GLU 36 6.152 1.957 -7.528 287 H TYR 37 HN TYR 37 5.510 4.312 -5.041 288 HA TYR 37 HA TYR 37 3.392 6.068 -6.088 289 1HB TYR 37 HB2 TYR 37 3.692 6.196 -3.625 290 2HB TYR 37 HB3 TYR 37 5.436 6.228 -3.794 291 HD1 TYR 37 HD1 TYR 37 5.535 8.247 -2.377 292 HD2 TYR 37 HD2 TYR 37 3.415 8.239 -6.093 293 HE1 TYR 37 HE1 TYR 37 5.486 10.789 -2.363 294 HE2 TYR 37 HE2 TYR 37 3.374 10.781 -6.066 295 HH TYR 37 HH TYR 37 4.244 12.568 -3.274 296 H LYS 38 HN LYS 38 3.949 7.202 -7.875 297 HA LYS 38 HA LYS 38 5.155 8.346 -9.332 298 1HB LYS 38 HB2 LYS 38 7.386 8.406 -7.280 299 2HB LYS 38 HB3 LYS 38 7.214 9.449 -8.677 300 1HG LYS 38 HG2 LYS 38 4.738 9.664 -7.313 301 2HG LYS 38 HG3 LYS 38 5.945 9.661 -6.043 302 1HD LYS 38 HD2 LYS 38 6.316 11.412 -8.496 303 2HD LYS 38 HD3 LYS 38 5.284 11.943 -7.184 304 1HE LYS 38 HE2 LYS 38 7.582 11.056 -5.846 305 2HE LYS 38 HE3 LYS 38 8.234 11.782 -7.301 306 1HZ LYS 38 HZ1 LYS 38 7.419 13.806 -6.736 307 2HZ LYS 38 HZ2 LYS 38 6.172 13.226 -5.856 308 3HZ LYS 38 HZ3 LYS 38 7.684 13.214 -5.238 309 H GLY 39 HN GLY 39 5.663 5.256 -8.331 310 1HA GLY 39 HA1 GLY 39 6.316 3.786 -10.195 311 2HA GLY 39 HA2 GLY 39 7.744 4.785 -10.384 312 H LYS 40 HN LYS 40 7.567 5.038 -7.197 313 HA LYS 40 HA LYS 40 9.417 2.885 -6.771 314 1HB LYS 40 HB2 LYS 40 9.097 5.445 -5.756 315 2HB LYS 40 HB3 LYS 40 8.574 4.432 -4.426 316 1HG LYS 40 HG2 LYS 40 11.095 3.653 -5.892 317 2HG LYS 40 HG3 LYS 40 11.167 5.028 -4.807 318 1HD LYS 40 HD2 LYS 40 10.092 2.285 -4.000 319 2HD LYS 40 HD3 LYS 40 11.743 2.802 -3.723 320 1HE LYS 40 HE2 LYS 40 9.255 4.202 -2.631 321 2HE LYS 40 HE3 LYS 40 10.308 3.150 -1.707 322 1HZ LYS 40 HZ1 LYS 40 11.358 5.039 -1.260 323 2HZ LYS 40 HZ2 LYS 40 12.032 4.896 -2.740 324 3HZ LYS 40 HZ3 LYS 40 10.726 5.853 -2.527 325 H SER 41 HN SER 41 8.537 0.864 -6.678 326 HA SER 41 HA SER 41 6.148 0.606 -5.034 327 1HB SER 41 HB2 SER 41 6.181 -0.167 -7.506 328 2HB SER 41 HB3 SER 41 7.232 -1.467 -6.979 329 HG SER 41 HG SER 41 5.524 -2.517 -6.245 330 H VAL 42 HN VAL 42 6.627 -0.022 -2.960 331 HA VAL 42 HA VAL 42 8.412 -2.279 -2.618 332 HB VAL 42 HB VAL 42 10.029 -1.258 -1.430 333 1HG1 VAL 42 HG11 VAL 42 8.942 1.030 -3.099 334 2HG1 VAL 42 HG12 VAL 42 10.530 1.048 -2.296 335 3HG1 VAL 42 HG13 VAL 42 10.185 -0.159 -3.558 336 1HG2 VAL 42 HG21 VAL 42 9.773 0.630 0.052 337 2HG2 VAL 42 HG22 VAL 42 8.161 0.990 -0.611 338 3HG2 VAL 42 HG23 VAL 42 8.424 -0.498 0.330 339 H ASN 43 HN ASN 43 8.132 -3.303 -0.491 340 HA ASN 43 HA ASN 43 5.585 -3.652 0.209 341 1HB ASN 43 HB2 ASN 43 7.640 -3.635 2.435 342 2HB ASN 43 HB3 ASN 43 6.404 -4.831 2.095 343 1HD2 ASN 43 HD21 ASN 43 6.823 -6.528 0.822 344 2HD2 ASN 43 HD22 ASN 43 8.334 -6.855 0.042 345 H LEU 44 HN LEU 44 4.447 -1.572 0.276 346 HA LEU 44 HA LEU 44 4.827 0.736 1.269 347 1HB LEU 44 HB2 LEU 44 2.529 -0.168 2.733 348 2HB LEU 44 HB3 LEU 44 2.629 0.881 1.332 349 HG LEU 44 HG LEU 44 2.714 -1.155 -0.126 350 1HD1 LEU 44 HD11 LEU 44 3.580 -2.747 1.515 351 2HD1 LEU 44 HD12 LEU 44 2.065 -2.628 2.442 352 3HD1 LEU 44 HD13 LEU 44 2.052 -3.318 0.801 353 1HD2 LEU 44 HD21 LEU 44 0.217 -1.257 1.545 354 2HD2 LEU 44 HD22 LEU 44 0.613 0.188 0.584 355 3HD2 LEU 44 HD23 LEU 44 0.409 -1.387 -0.220 356 H LYS 45 HN LYS 45 4.781 -2.169 3.375 357 HA LYS 45 HA LYS 45 5.130 -0.642 5.757 358 1HB LYS 45 HB2 LYS 45 4.043 -2.939 5.521 359 2HB LYS 45 HB3 LYS 45 5.661 -3.595 5.369 360 1HG LYS 45 HG2 LYS 45 5.467 -1.732 7.638 361 2HG LYS 45 HG3 LYS 45 4.295 -3.028 7.773 362 1HD LYS 45 HD2 LYS 45 6.023 -4.730 7.617 363 2HD LYS 45 HD3 LYS 45 7.231 -3.553 7.143 364 1HE LYS 45 HE2 LYS 45 6.553 -2.418 9.486 365 2HE LYS 45 HE3 LYS 45 6.025 -4.045 9.867 366 1HZ LYS 45 HZ1 LYS 45 8.710 -3.335 8.905 367 2HZ LYS 45 HZ2 LYS 45 8.322 -3.677 10.453 368 3HZ LYS 45 HZ3 LYS 45 8.213 -4.837 9.309 369 H SER 46 HN SER 46 7.062 -0.696 3.192 370 HA SER 46 HA SER 46 9.495 -1.391 4.558 371 1HB SER 46 HB2 SER 46 8.747 -1.641 1.954 372 2HB SER 46 HB3 SER 46 9.547 -0.085 1.861 373 HG SER 46 HG SER 46 10.935 -2.091 3.301 374 H ILE 47 HN ILE 47 9.379 0.294 6.237 375 HA ILE 47 HA ILE 47 8.970 2.925 5.962 376 HB ILE 47 HB ILE 47 10.116 1.220 7.847 377 1HG1 ILE 47 HG12 ILE 47 9.596 2.981 9.406 378 2HG1 ILE 47 HG13 ILE 47 9.628 4.195 8.143 379 1HG2 ILE 47 HG21 ILE 47 12.351 1.689 7.377 380 2HG2 ILE 47 HG22 ILE 47 12.026 3.407 7.045 381 3HG2 ILE 47 HG23 ILE 47 11.959 2.796 8.715 382 1HD1 ILE 47 HD11 ILE 47 7.473 3.774 7.583 383 2HD1 ILE 47 HD12 ILE 47 7.803 2.033 7.415 384 3HD1 ILE 47 HD13 ILE 47 7.385 2.710 9.007 385 H MET 48 HN MET 48 12.260 1.415 5.590 386 HA MET 48 HA MET 48 13.654 3.528 4.826 387 1HB MET 48 HB2 MET 48 14.631 1.674 3.042 388 2HB MET 48 HB3 MET 48 14.975 1.617 4.759 389 1HG MET 48 HG2 MET 48 13.517 -0.159 5.144 390 2HG MET 48 HG3 MET 48 12.406 0.333 3.881 391 1HE MET 48 HE1 MET 48 12.693 -0.308 1.289 392 2HE MET 48 HE2 MET 48 14.045 0.840 1.440 393 3HE MET 48 HE3 MET 48 14.294 -0.727 0.633 394 H GLY 49 HN GLY 49 12.261 1.342 2.271 395 1HA GLY 49 HA1 GLY 49 12.581 3.074 0.145 396 2HA GLY 49 HA2 GLY 49 11.393 1.789 0.247 397 H VAL 50 HN VAL 50 9.649 2.575 2.242 398 HA VAL 50 HA VAL 50 8.093 4.487 0.926 399 HB VAL 50 HB VAL 50 8.033 3.028 3.525 400 1HG1 VAL 50 HG11 VAL 50 7.365 5.244 4.239 401 2HG1 VAL 50 HG12 VAL 50 6.238 5.387 2.869 402 3HG1 VAL 50 HG13 VAL 50 5.926 4.199 4.157 403 1HG2 VAL 50 HG21 VAL 50 5.577 2.770 2.408 404 2HG2 VAL 50 HG22 VAL 50 6.556 3.074 0.952 405 3HG2 VAL 50 HG23 VAL 50 6.957 1.712 2.026 406 H MET 51 HN MET 51 10.099 4.679 3.944 407 HA MET 51 HA MET 51 9.610 7.105 4.808 408 1HB MET 51 HB2 MET 51 12.178 5.548 4.424 409 2HB MET 51 HB3 MET 51 12.327 7.201 4.985 410 1HG MET 51 HG2 MET 51 10.637 5.028 6.317 411 2HG MET 51 HG3 MET 51 12.189 5.602 6.893 412 1HE MET 51 HE1 MET 51 12.240 8.554 6.338 413 2HE MET 51 HE2 MET 51 10.768 8.650 5.341 414 3HE MET 51 HE3 MET 51 10.866 9.550 6.874 415 H SER 52 HN SER 52 12.146 6.548 2.249 416 HA SER 52 HA SER 52 12.381 9.274 1.710 417 1HB SER 52 HB2 SER 52 13.803 8.593 -0.133 418 2HB SER 52 HB3 SER 52 14.118 7.524 1.220 419 HG SER 52 HG SER 52 12.071 6.553 -0.389 420 H LEU 53 HN LEU 53 10.078 6.823 0.760 421 HA LEU 53 HA LEU 53 9.229 8.346 -1.569 422 1HB LEU 53 HB2 LEU 53 9.443 5.689 -1.153 423 2HB LEU 53 HB3 LEU 53 7.769 5.925 -0.690 424 HG LEU 53 HG LEU 53 9.044 6.040 -3.352 425 1HD1 LEU 53 HD11 LEU 53 6.230 5.427 -2.408 426 2HD1 LEU 53 HD12 LEU 53 6.851 5.198 -4.060 427 3HD1 LEU 53 HD13 LEU 53 7.524 4.245 -2.716 428 1HD2 LEU 53 HD21 LEU 53 6.817 7.555 -3.874 429 2HD2 LEU 53 HD22 LEU 53 7.430 8.287 -2.372 430 3HD2 LEU 53 HD23 LEU 53 8.490 8.161 -3.797 431 H GLY 54 HN GLY 54 6.919 6.587 0.451 432 1HA GLY 54 HA1 GLY 54 5.077 7.263 1.544 433 2HA GLY 54 HA2 GLY 54 6.027 8.619 2.121 434 H VAL 55 HN VAL 55 3.220 8.773 1.508 435 HA VAL 55 HA VAL 55 3.362 10.736 -0.655 436 HB VAL 55 HB VAL 55 0.831 9.616 -0.862 437 1HG1 VAL 55 HG11 VAL 55 2.886 10.329 -2.522 438 2HG1 VAL 55 HG12 VAL 55 2.840 8.565 -2.752 439 3HG1 VAL 55 HG13 VAL 55 1.380 9.539 -3.048 440 1HG2 VAL 55 HG21 VAL 55 2.001 7.695 0.512 441 2HG2 VAL 55 HG22 VAL 55 0.935 7.311 -0.860 442 3HG2 VAL 55 HG23 VAL 55 2.702 7.278 -1.070 443 H GLY 56 HN GLY 56 0.714 11.606 -0.576 444 1HA GLY 56 HA1 GLY 56 -0.583 11.891 1.795 445 2HA GLY 56 HA2 GLY 56 0.718 13.059 1.908 446 H GLN 57 HN GLN 57 0.626 14.993 0.742 447 HA GLN 57 HA GLN 57 -1.662 16.100 0.088 448 1HB GLN 57 HB2 GLN 57 -0.449 17.762 -1.107 449 2HB GLN 57 HB3 GLN 57 0.705 17.103 0.035 450 1HG GLN 57 HG2 GLN 57 1.221 15.418 -2.005 451 2HG GLN 57 HG3 GLN 57 0.569 16.739 -2.954 452 1HE2 GLN 57 HE21 GLN 57 2.972 16.329 -3.605 453 2HE2 GLN 57 HE22 GLN 57 4.133 17.400 -2.894 454 H GLY 58 HN GLY 58 -3.215 14.723 -0.890 455 1HA GLY 58 HA1 GLY 58 -4.152 13.439 -2.520 456 2HA GLY 58 HA2 GLY 58 -3.779 14.854 -3.484 457 H SER 59 HN SER 59 -1.006 13.193 -2.150 458 HA SER 59 HA SER 59 0.115 12.753 -4.607 459 1HB SER 59 HB2 SER 59 0.721 11.118 -2.111 460 2HB SER 59 HB3 SER 59 1.819 11.493 -3.424 461 HG SER 59 HG SER 59 2.042 13.581 -2.724 462 H ASP 60 HN ASP 60 0.060 11.067 -6.104 463 HA ASP 60 HA ASP 60 -1.892 9.018 -5.528 464 1HB ASP 60 HB2 ASP 60 -1.937 8.630 -7.915 465 2HB ASP 60 HB3 ASP 60 -1.960 10.365 -7.672 466 H VAL 61 HN VAL 61 -1.338 6.727 -5.753 467 HA VAL 61 HA VAL 61 1.437 6.083 -6.298 468 HB VAL 61 HB VAL 61 1.703 4.839 -4.231 469 1HG1 VAL 61 HG11 VAL 61 0.857 7.640 -3.463 470 2HG1 VAL 61 HG12 VAL 61 2.188 6.657 -2.806 471 3HG1 VAL 61 HG13 VAL 61 2.302 7.321 -4.454 472 1HG2 VAL 61 HG21 VAL 61 0.102 4.489 -2.660 473 2HG2 VAL 61 HG22 VAL 61 -0.631 6.094 -2.889 474 3HG2 VAL 61 HG23 VAL 61 -0.994 4.779 -4.032 475 H THR 62 HN THR 62 1.582 3.476 -5.969 476 HA THR 62 HA THR 62 -0.927 2.320 -6.961 477 HB THR 62 HB THR 62 1.758 2.529 -8.316 478 HG1 THR 62 HG1 THR 62 0.210 3.445 -9.603 479 1HG2 THR 62 HG21 THR 62 0.855 0.537 -9.775 480 2HG2 THR 62 HG22 THR 62 1.724 0.137 -8.274 481 3HG2 THR 62 HG23 THR 62 -0.055 0.080 -8.315 482 H ILE 63 HN ILE 63 -1.464 0.395 -6.081 483 HA ILE 63 HA ILE 63 0.527 -0.726 -4.246 484 HB ILE 63 HB ILE 63 -2.132 0.034 -3.881 485 1HG1 ILE 63 HG12 ILE 63 -1.471 -1.584 -1.717 486 2HG1 ILE 63 HG13 ILE 63 0.089 -1.095 -2.348 487 1HG2 ILE 63 HG21 ILE 63 -3.400 -1.898 -3.431 488 2HG2 ILE 63 HG22 ILE 63 -2.674 -2.171 -5.033 489 3HG2 ILE 63 HG23 ILE 63 -1.988 -2.968 -3.598 490 1HD1 ILE 63 HD11 ILE 63 -0.308 0.758 -1.038 491 2HD1 ILE 63 HD12 ILE 63 -1.188 1.303 -2.486 492 3HD1 ILE 63 HD13 ILE 63 -2.076 0.571 -1.128 493 H THR 64 HN THR 64 0.627 -3.119 -4.079 494 HA THR 64 HA THR 64 -0.296 -4.482 -6.502 495 HB THR 64 HB THR 64 2.519 -4.953 -5.496 496 HG1 THR 64 HG1 THR 64 1.633 -2.894 -7.384 497 1HG2 THR 64 HG21 THR 64 2.377 -4.632 -8.312 498 2HG2 THR 64 HG22 THR 64 2.510 -6.173 -7.431 499 3HG2 THR 64 HG23 THR 64 0.908 -5.539 -7.879 500 H VAL 65 HN VAL 65 -0.864 -6.621 -6.235 501 HA VAL 65 HA VAL 65 -0.329 -7.792 -3.619 502 HB VAL 65 HB VAL 65 -2.536 -6.530 -3.651 503 1HG1 VAL 65 HG11 VAL 65 -4.135 -8.596 -4.778 504 2HG1 VAL 65 HG12 VAL 65 -3.983 -6.902 -5.305 505 3HG1 VAL 65 HG13 VAL 65 -2.912 -8.148 -5.991 506 1HG2 VAL 65 HG21 VAL 65 -2.018 -9.324 -2.801 507 2HG2 VAL 65 HG22 VAL 65 -2.527 -7.907 -1.852 508 3HG2 VAL 65 HG23 VAL 65 -3.725 -8.817 -2.803 509 H ASP 66 HN ASP 66 0.387 -9.849 -3.865 510 HA ASP 66 HA ASP 66 -0.628 -11.343 -6.115 511 1HB ASP 66 HB2 ASP 66 2.236 -11.836 -5.777 512 2HB ASP 66 HB3 ASP 66 1.343 -11.484 -7.243 513 H GLY 67 HN GLY 67 -1.146 -13.401 -5.337 514 1HA GLY 67 HA1 GLY 67 0.154 -15.264 -4.080 515 2HA GLY 67 HA2 GLY 67 -0.058 -14.178 -2.721 516 H ALA 68 HN ALA 68 -1.431 -15.633 -1.564 517 HA ALA 68 HA ALA 68 -3.825 -16.586 -2.843 518 1HB ALA 68 HB1 ALA 68 -4.215 -17.364 -0.380 519 2HB ALA 68 HB2 ALA 68 -2.898 -18.110 -1.317 520 3HB ALA 68 HB3 ALA 68 -2.533 -16.842 -0.122 521 H ASP 69 HN ASP 69 -2.923 -14.234 -0.236 522 HA ASP 69 HA ASP 69 -5.517 -13.474 0.319 523 1HB ASP 69 HB2 ASP 69 -2.847 -12.700 1.048 524 2HB ASP 69 HB3 ASP 69 -3.691 -11.233 0.595 525 H GLU 70 HN GLU 70 -3.275 -12.713 -2.305 526 HA GLU 70 HA GLU 70 -3.406 -10.568 -3.416 527 1HB GLU 70 HB2 GLU 70 -4.605 -11.488 -5.551 528 2HB GLU 70 HB3 GLU 70 -3.160 -12.299 -4.981 529 1HG GLU 70 HG2 GLU 70 -4.359 -14.221 -4.885 530 2HG GLU 70 HG3 GLU 70 -5.250 -13.535 -3.540 531 H ALA 71 HN ALA 71 -6.655 -12.193 -3.663 532 HA ALA 71 HA ALA 71 -8.049 -9.868 -4.218 533 1HB ALA 71 HB1 ALA 71 -9.876 -11.502 -2.945 534 2HB ALA 71 HB2 ALA 71 -9.406 -11.627 -4.657 535 3HB ALA 71 HB3 ALA 71 -8.616 -12.658 -3.440 536 H GLU 72 HN GLU 72 -8.384 -11.681 -1.095 537 HA GLU 72 HA GLU 72 -9.486 -9.692 0.318 538 1HB GLU 72 HB2 GLU 72 -7.746 -10.971 2.153 539 2HB GLU 72 HB3 GLU 72 -9.417 -11.378 1.815 540 1HG GLU 72 HG2 GLU 72 -8.790 -12.982 0.117 541 2HG GLU 72 HG3 GLU 72 -7.137 -12.402 0.075 542 H GLY 73 HN GLY 73 -5.941 -10.315 -0.103 543 1HA GLY 73 HA1 GLY 73 -4.850 -8.450 1.546 544 2HA GLY 73 HA2 GLY 73 -4.195 -8.890 -0.018 545 H MET 74 HN MET 74 -4.976 -7.694 -1.974 546 HA MET 74 HA MET 74 -4.778 -5.014 -1.662 547 1HB MET 74 HB2 MET 74 -5.990 -5.013 -4.003 548 2HB MET 74 HB3 MET 74 -4.487 -5.904 -3.862 549 1HG MET 74 HG2 MET 74 -5.807 -7.542 -4.862 550 2HG MET 74 HG3 MET 74 -6.111 -7.922 -3.179 551 1HE MET 74 HE1 MET 74 -8.772 -5.440 -5.949 552 2HE MET 74 HE2 MET 74 -7.823 -4.521 -4.757 553 3HE MET 74 HE3 MET 74 -6.997 -5.561 -5.942 554 H ALA 75 HN ALA 75 -7.765 -7.034 -1.764 555 HA ALA 75 HA ALA 75 -9.719 -5.223 -2.021 556 1HB ALA 75 HB1 ALA 75 -10.538 -7.342 -1.706 557 2HB ALA 75 HB2 ALA 75 -9.359 -7.726 -0.429 558 3HB ALA 75 HB3 ALA 75 -10.785 -6.730 -0.052 559 H ALA 76 HN ALA 76 -8.142 -6.042 1.156 560 HA ALA 76 HA ALA 76 -9.442 -4.085 2.622 561 1HB ALA 76 HB1 ALA 76 -8.318 -5.208 4.207 562 2HB ALA 76 HB2 ALA 76 -7.350 -6.023 2.955 563 3HB ALA 76 HB3 ALA 76 -6.796 -4.477 3.642 564 H ILE 77 HN ILE 77 -6.068 -3.989 1.253 565 HA ILE 77 HA ILE 77 -5.449 -1.431 1.872 566 HB ILE 77 HB ILE 77 -4.620 -3.414 -0.087 567 1HG1 ILE 77 HG12 ILE 77 -3.336 -3.102 1.883 568 2HG1 ILE 77 HG13 ILE 77 -2.373 -2.489 0.553 569 1HG2 ILE 77 HG21 ILE 77 -4.360 -0.486 -0.806 570 2HG2 ILE 77 HG22 ILE 77 -3.336 -1.773 -1.489 571 3HG2 ILE 77 HG23 ILE 77 -5.095 -1.792 -1.767 572 1HD1 ILE 77 HD11 ILE 77 -3.292 -1.085 2.907 573 2HD1 ILE 77 HD12 ILE 77 -2.213 -0.500 1.617 574 3HD1 ILE 77 HD13 ILE 77 -3.975 -0.299 1.464 575 H VAL 78 HN VAL 78 -7.038 -2.478 -1.229 576 HA VAL 78 HA VAL 78 -7.467 0.014 -2.262 577 HB VAL 78 HB VAL 78 -9.448 -2.248 -2.457 578 1HG1 VAL 78 HG11 VAL 78 -10.323 -0.999 -4.082 579 2HG1 VAL 78 HG12 VAL 78 -9.084 0.250 -3.811 580 3HG1 VAL 78 HG13 VAL 78 -8.778 -1.071 -4.964 581 1HG2 VAL 78 HG21 VAL 78 -7.786 -3.616 -3.072 582 2HG2 VAL 78 HG22 VAL 78 -7.613 -2.602 -4.524 583 3HG2 VAL 78 HG23 VAL 78 -6.601 -2.288 -3.094 584 H GLU 79 HN GLU 79 -9.844 -1.917 -0.295 585 HA GLU 79 HA GLU 79 -11.707 0.061 -0.091 586 1HB GLU 79 HB2 GLU 79 -11.079 -2.463 1.283 587 2HB GLU 79 HB3 GLU 79 -11.856 -1.314 2.353 588 1HG GLU 79 HG2 GLU 79 -13.203 -1.238 -0.214 589 2HG GLU 79 HG3 GLU 79 -13.066 -2.910 0.294 590 H THR 80 HN THR 80 -8.937 -0.684 2.128 591 HA THR 80 HA THR 80 -9.490 1.325 3.990 592 HB THR 80 HB THR 80 -7.516 -0.703 3.455 593 HG1 THR 80 HG1 THR 80 -8.671 -0.309 5.457 594 1HG2 THR 80 HG21 THR 80 -5.759 0.769 2.863 595 2HG2 THR 80 HG22 THR 80 -6.450 2.117 3.797 596 3HG2 THR 80 HG23 THR 80 -5.640 0.774 4.639 597 H LEU 81 HN LEU 81 -7.535 1.372 0.962 598 HA LEU 81 HA LEU 81 -6.379 3.820 1.223 599 1HB LEU 81 HB2 LEU 81 -7.438 2.307 -1.145 600 2HB LEU 81 HB3 LEU 81 -6.707 3.887 -1.345 601 HG LEU 81 HG LEU 81 -5.431 1.374 -1.215 602 1HD1 LEU 81 HD11 LEU 81 -4.929 3.657 -2.417 603 2HD1 LEU 81 HD12 LEU 81 -3.890 3.932 -0.998 604 3HD1 LEU 81 HD13 LEU 81 -3.618 2.514 -2.040 605 1HD2 LEU 81 HD21 LEU 81 -4.508 3.093 1.097 606 2HD2 LEU 81 HD22 LEU 81 -5.560 1.668 1.280 607 3HD2 LEU 81 HD23 LEU 81 -3.918 1.483 0.618 608 H GLN 82 HN GLN 82 -9.708 3.078 0.000 609 HA GLN 82 HA GLN 82 -10.242 5.913 0.002 610 1HB GLN 82 HB2 GLN 82 -12.427 3.995 -0.657 611 2HB GLN 82 HB3 GLN 82 -11.940 5.461 -1.484 612 1HG GLN 82 HG2 GLN 82 -10.915 4.162 -3.034 613 2HG GLN 82 HG3 GLN 82 -9.733 3.734 -1.813 614 1HE2 GLN 82 HE21 GLN 82 -10.157 1.946 -3.700 615 2HE2 GLN 82 HE22 GLN 82 -11.071 0.582 -3.148 616 H LYS 83 HN LYS 83 -10.456 3.211 2.104 617 HA LYS 83 HA LYS 83 -12.851 4.061 3.447 618 1HB LYS 83 HB2 LYS 83 -12.826 1.911 4.009 619 2HB LYS 83 HB3 LYS 83 -11.223 1.707 3.331 620 1HG LYS 83 HG2 LYS 83 -10.184 2.462 5.440 621 2HG LYS 83 HG3 LYS 83 -11.756 2.829 6.122 622 1HD LYS 83 HD2 LYS 83 -10.497 0.475 6.570 623 2HD LYS 83 HD3 LYS 83 -12.244 0.616 6.556 624 1HE LYS 83 HE2 LYS 83 -12.198 0.050 4.068 625 2HE LYS 83 HE3 LYS 83 -10.478 -0.252 4.219 626 1HZ LYS 83 HZ1 LYS 83 -11.278 -1.763 6.146 627 2HZ LYS 83 HZ2 LYS 83 -12.693 -1.759 5.331 628 3HZ LYS 83 HZ3 LYS 83 -11.333 -2.298 4.604 629 H GLU 84 HN GLU 84 -9.293 4.322 3.848 630 HA GLU 84 HA GLU 84 -9.747 5.816 6.284 631 1HB GLU 84 HB2 GLU 84 -7.016 5.246 5.114 632 2HB GLU 84 HB3 GLU 84 -7.467 5.456 6.794 633 1HG GLU 84 HG2 GLU 84 -8.452 3.114 5.105 634 2HG GLU 84 HG3 GLU 84 -6.980 3.043 6.052 635 H GLY 85 HN GLY 85 -10.205 6.620 3.259 636 1HA GLY 85 HA1 GLY 85 -10.044 8.493 2.029 637 2HA GLY 85 HA2 GLY 85 -9.750 9.345 3.532 638 H LEU 86 HN LEU 86 -7.472 6.793 2.949 639 HA LEU 86 HA LEU 86 -5.363 8.685 2.673 640 1HB LEU 86 HB2 LEU 86 -5.699 5.881 3.289 641 2HB LEU 86 HB3 LEU 86 -4.404 6.105 2.129 642 HG LEU 86 HG LEU 86 -4.618 7.459 4.832 643 1HD1 LEU 86 HD11 LEU 86 -2.294 5.781 4.429 644 2HD1 LEU 86 HD12 LEU 86 -3.520 5.745 5.719 645 3HD1 LEU 86 HD13 LEU 86 -3.799 4.858 4.201 646 1HD2 LEU 86 HD21 LEU 86 -3.188 8.267 2.522 647 2HD2 LEU 86 HD22 LEU 86 -3.101 8.932 4.170 648 3HD2 LEU 86 HD23 LEU 86 -2.002 7.619 3.680 649 H ALA 87 HN ALA 87 -7.082 6.371 0.515 650 HA ALA 87 HA ALA 87 -6.021 7.882 -1.741 651 1HB ALA 87 HB1 ALA 87 -4.558 6.237 -2.226 652 2HB ALA 87 HB2 ALA 87 -5.247 5.162 -0.985 653 3HB ALA 87 HB3 ALA 87 -5.969 5.223 -2.611 654 H GLU 88 HN GLU 88 -7.277 7.321 -3.788 655 HA GLU 88 HA GLU 88 -10.036 6.961 -2.990 656 1HB GLU 88 HB2 GLU 88 -10.436 7.800 -5.407 657 2HB GLU 88 HB3 GLU 88 -9.788 8.947 -4.250 658 1HG GLU 88 HG2 GLU 88 -7.709 9.024 -5.268 659 2HG GLU 88 HG3 GLU 88 -7.752 7.337 -5.738 660 H GLN 89 HN GLN 89 -11.407 5.904 -4.973 661 HA GLN 89 HA GLN 89 -11.035 3.281 -4.905 662 1HB GLN 89 HB2 GLN 89 -12.968 4.569 -5.939 663 2HB GLN 89 HB3 GLN 89 -12.008 4.747 -7.395 664 1HG GLN 89 HG2 GLN 89 -11.842 1.990 -6.783 665 2HG GLN 89 HG3 GLN 89 -13.507 2.411 -6.433 666 1HE2 GLN 89 HE21 GLN 89 -12.864 0.695 -8.458 667 2HE2 GLN 89 HE22 GLN 89 -13.212 1.398 -10.002 Start of MODEL 9 1 H MET 1 HN MET 1 -0.600 -12.603 -7.317 2 HA MET 1 HA MET 1 0.637 -11.029 -8.988 3 1HB MET 1 HB2 MET 1 -1.553 -13.087 -9.542 4 2HB MET 1 HB3 MET 1 -0.675 -12.348 -10.866 5 1HG MET 1 HG2 MET 1 1.037 -13.403 -8.653 6 2HG MET 1 HG3 MET 1 0.151 -14.621 -9.549 7 1HE MET 1 HE1 MET 1 2.561 -15.696 -10.949 8 2HE MET 1 HE2 MET 1 3.862 -14.489 -10.813 9 3HE MET 1 HE3 MET 1 2.856 -14.877 -9.397 10 H GLU 2 HN GLU 2 -2.051 -9.880 -7.618 11 HA GLU 2 HA GLU 2 -2.913 -8.496 -10.037 12 1HB GLU 2 HB2 GLU 2 -4.560 -8.521 -7.507 13 2HB GLU 2 HB3 GLU 2 -5.092 -8.346 -9.167 14 1HG GLU 2 HG2 GLU 2 -4.300 -10.775 -9.544 15 2HG GLU 2 HG3 GLU 2 -4.110 -10.892 -7.806 16 H LYS 3 HN LYS 3 -2.612 -6.290 -10.156 17 HA LYS 3 HA LYS 3 -1.650 -5.008 -7.694 18 1HB LYS 3 HB2 LYS 3 0.101 -4.269 -8.844 19 2HB LYS 3 HB3 LYS 3 -0.405 -5.261 -10.196 20 1HG LYS 3 HG2 LYS 3 -1.984 -3.315 -10.851 21 2HG LYS 3 HG3 LYS 3 -1.125 -2.348 -9.669 22 1HD LYS 3 HD2 LYS 3 -0.039 -1.925 -11.769 23 2HD LYS 3 HD3 LYS 3 1.048 -2.967 -10.874 24 1HE LYS 3 HE2 LYS 3 0.796 -4.713 -12.344 25 2HE LYS 3 HE3 LYS 3 -0.932 -4.464 -12.501 26 1HZ LYS 3 HZ1 LYS 3 -0.103 -2.350 -13.763 27 2HZ LYS 3 HZ2 LYS 3 1.224 -3.269 -14.013 28 3HZ LYS 3 HZ3 LYS 3 -0.238 -3.791 -14.520 29 H LYS 4 HN LYS 4 -2.370 -2.833 -7.250 30 HA LYS 4 HA LYS 4 -4.608 -1.917 -8.871 31 1HB LYS 4 HB2 LYS 4 -5.386 -3.433 -6.929 32 2HB LYS 4 HB3 LYS 4 -4.911 -2.117 -5.875 33 1HG LYS 4 HG2 LYS 4 -7.235 -1.756 -6.352 34 2HG LYS 4 HG3 LYS 4 -6.368 -0.568 -7.304 35 1HD LYS 4 HD2 LYS 4 -6.471 -2.168 -9.280 36 2HD LYS 4 HD3 LYS 4 -7.476 -3.229 -8.313 37 1HE LYS 4 HE2 LYS 4 -9.215 -1.514 -8.110 38 2HE LYS 4 HE3 LYS 4 -8.184 -0.308 -8.854 39 1HZ LYS 4 HZ1 LYS 4 -9.417 -2.640 -10.112 40 2HZ LYS 4 HZ2 LYS 4 -9.533 -1.070 -10.546 41 3HZ LYS 4 HZ3 LYS 4 -8.145 -1.889 -10.808 42 H GLU 5 HN GLU 5 -4.058 0.106 -9.462 43 HA GLU 5 HA GLU 5 -2.184 1.528 -7.832 44 1HB GLU 5 HB2 GLU 5 -3.572 2.431 -10.392 45 2HB GLU 5 HB3 GLU 5 -2.144 3.149 -9.673 46 1HG GLU 5 HG2 GLU 5 -0.903 1.733 -10.942 47 2HG GLU 5 HG3 GLU 5 -1.460 0.430 -9.911 48 H PHE 6 HN PHE 6 -2.570 3.772 -7.067 49 HA PHE 6 HA PHE 6 -5.268 4.714 -7.008 50 1HB PHE 6 HB2 PHE 6 -3.794 3.750 -4.483 51 2HB PHE 6 HB3 PHE 6 -5.319 4.613 -4.459 52 HD1 PHE 6 HD1 PHE 6 -3.864 1.454 -4.315 53 HD2 PHE 6 HD2 PHE 6 -7.215 3.470 -5.962 54 HE1 PHE 6 HE1 PHE 6 -5.099 -0.725 -4.470 55 HE2 PHE 6 HE2 PHE 6 -8.450 1.291 -6.117 56 HZ PHE 6 HZ PHE 6 -7.378 -0.781 -5.369 57 H HIS 7 HN HIS 7 -5.248 6.623 -5.124 58 HA HIS 7 HA HIS 7 -2.661 7.932 -5.197 59 1HB HIS 7 HB2 HIS 7 -3.274 9.137 -6.986 60 2HB HIS 7 HB3 HIS 7 -4.966 8.705 -6.831 61 HD1 HIS 7 HD1 HIS 7 -3.105 11.623 -6.974 62 HD2 HIS 7 HD2 HIS 7 -5.917 10.230 -4.190 63 HE1 HIS 7 HE1 HIS 7 -3.982 13.684 -5.750 64 H ILE 8 HN ILE 8 -2.285 9.216 -3.383 65 HA ILE 8 HA ILE 8 -3.943 8.742 -1.165 66 HB ILE 8 HB ILE 8 -1.704 10.727 -1.578 67 1HG1 ILE 8 HG12 ILE 8 -0.599 8.759 -1.884 68 2HG1 ILE 8 HG13 ILE 8 -0.556 8.827 -0.133 69 1HG2 ILE 8 HG21 ILE 8 -2.856 11.486 0.319 70 2HG2 ILE 8 HG22 ILE 8 -3.187 9.835 0.893 71 3HG2 ILE 8 HG23 ILE 8 -1.532 10.486 0.963 72 1HD1 ILE 8 HD11 ILE 8 -1.296 6.591 -1.087 73 2HD1 ILE 8 HD12 ILE 8 -2.448 7.315 0.062 74 3HD1 ILE 8 HD13 ILE 8 -2.761 7.404 -1.688 75 H VAL 9 HN VAL 9 -5.807 9.698 -0.562 76 HA VAL 9 HA VAL 9 -6.339 12.356 -1.701 77 HB VAL 9 HB VAL 9 -8.749 11.684 -1.478 78 1HG1 VAL 9 HG11 VAL 9 -7.150 11.499 -3.576 79 2HG1 VAL 9 HG12 VAL 9 -7.435 9.755 -3.361 80 3HG1 VAL 9 HG13 VAL 9 -8.809 10.855 -3.626 81 1HG2 VAL 9 HG21 VAL 9 -8.563 9.859 0.098 82 2HG2 VAL 9 HG22 VAL 9 -9.227 9.236 -1.431 83 3HG2 VAL 9 HG23 VAL 9 -7.520 8.946 -1.018 84 H ALA 10 HN ALA 10 -5.247 10.895 1.010 85 HA ALA 10 HA ALA 10 -7.051 12.073 2.918 86 1HB ALA 10 HB1 ALA 10 -6.141 10.106 3.736 87 2HB ALA 10 HB2 ALA 10 -4.564 10.384 2.958 88 3HB ALA 10 HB3 ALA 10 -5.004 11.290 4.426 89 H GLU 11 HN GLU 11 -4.310 13.043 1.006 90 HA GLU 11 HA GLU 11 -2.937 14.744 1.083 91 1HB GLU 11 HB2 GLU 11 -4.005 16.939 1.316 92 2HB GLU 11 HB3 GLU 11 -5.081 15.844 0.472 93 1HG GLU 11 HG2 GLU 11 -6.399 15.460 2.497 94 2HG GLU 11 HG3 GLU 11 -5.238 16.327 3.481 95 H THR 12 HN THR 12 -3.302 13.090 3.672 96 HA THR 12 HA THR 12 -2.719 15.004 5.751 97 HB THR 12 HB THR 12 -3.836 12.436 5.591 98 HG1 THR 12 HG1 THR 12 -2.648 14.164 7.619 99 1HG2 THR 12 HG21 THR 12 -1.786 11.183 5.617 100 2HG2 THR 12 HG22 THR 12 -0.993 12.356 6.695 101 3HG2 THR 12 HG23 THR 12 -2.262 11.281 7.329 102 H GLY 13 HN GLY 13 -0.897 12.171 4.390 103 1HA GLY 13 HA1 GLY 13 1.381 13.090 3.566 104 2HA GLY 13 HA2 GLY 13 1.578 13.496 5.259 105 H ILE 14 HN ILE 14 -0.381 10.672 4.485 106 HA ILE 14 HA ILE 14 -0.102 8.594 5.303 107 HB ILE 14 HB ILE 14 1.979 9.022 3.189 108 1HG1 ILE 14 HG12 ILE 14 0.444 8.111 1.735 109 2HG1 ILE 14 HG13 ILE 14 -0.353 7.162 2.975 110 1HG2 ILE 14 HG21 ILE 14 1.973 6.859 5.084 111 2HG2 ILE 14 HG22 ILE 14 1.573 6.244 3.463 112 3HG2 ILE 14 HG23 ILE 14 3.073 7.168 3.719 113 1HD1 ILE 14 HD11 ILE 14 -1.790 9.042 2.257 114 2HD1 ILE 14 HD12 ILE 14 -1.316 9.240 3.961 115 3HD1 ILE 14 HD13 ILE 14 -0.511 10.200 2.697 116 H HIS 15 HN HIS 15 0.420 9.529 7.509 117 HA HIS 15 HA HIS 15 3.236 9.191 8.173 118 1HB HIS 15 HB2 HIS 15 2.265 10.120 10.443 119 2HB HIS 15 HB3 HIS 15 2.649 11.182 9.104 120 HD2 HIS 15 HD2 HIS 15 0.455 12.469 7.907 121 HE1 HIS 15 HE1 HIS 15 -2.496 10.885 10.533 122 HE2 HIS 15 HE2 HIS 15 -1.962 12.629 8.697 123 H ALA 16 HN ALA 16 3.362 8.306 10.675 124 HA ALA 16 HA ALA 16 3.107 5.644 10.601 125 1HB ALA 16 HB1 ALA 16 3.623 7.650 12.547 126 2HB ALA 16 HB2 ALA 16 2.436 6.536 13.267 127 3HB ALA 16 HB3 ALA 16 3.985 5.910 12.651 128 H ARG 17 HN ARG 17 0.519 8.023 11.229 129 HA ARG 17 HA ARG 17 -1.319 6.172 12.192 130 1HB ARG 17 HB2 ARG 17 -1.334 8.992 11.236 131 2HB ARG 17 HB3 ARG 17 -2.863 8.167 11.009 132 1HG ARG 17 HG2 ARG 17 -2.853 9.239 13.212 133 2HG ARG 17 HG3 ARG 17 -2.860 7.499 13.423 134 1HD ARG 17 HD2 ARG 17 -1.060 7.811 14.792 135 2HD ARG 17 HD3 ARG 17 -0.131 8.050 13.325 136 HE ARG 17 HE ARG 17 -1.128 10.559 13.723 137 1HH1 ARG 17 HH22 ARG 17 0.437 8.307 15.927 138 2HH1 ARG 17 HH21 ARG 17 1.112 9.553 16.924 139 1HH2 ARG 17 HH12 ARG 17 -0.238 12.203 15.037 140 2HH2 ARG 17 HH11 ARG 17 0.725 11.784 16.414 141 HA PRO 18 HA PRO 18 -3.042 5.976 7.807 142 1HB PRO 18 HB2 PRO 18 -2.248 7.730 5.868 143 2HB PRO 18 HB3 PRO 18 -3.645 8.001 6.891 144 1HG PRO 18 HG2 PRO 18 -0.981 9.278 7.015 145 2HG PRO 18 HG3 PRO 18 -2.491 9.816 7.724 146 1HD PRO 18 HD2 PRO 18 -0.305 8.559 9.091 147 2HD PRO 18 HD3 PRO 18 -1.859 8.992 9.775 148 H ALA 19 HN ALA 19 0.332 6.674 7.989 149 HA ALA 19 HA ALA 19 1.119 5.315 5.683 150 1HB ALA 19 HB1 ALA 19 2.645 5.560 8.303 151 2HB ALA 19 HB2 ALA 19 3.319 5.394 6.664 152 3HB ALA 19 HB3 ALA 19 2.475 6.890 7.133 153 H THR 20 HN THR 20 0.716 4.211 9.113 154 HA THR 20 HA THR 20 1.406 1.516 8.456 155 HB THR 20 HB THR 20 -0.130 2.201 10.943 156 HG1 THR 20 HG1 THR 20 2.042 3.264 11.579 157 1HG2 THR 20 HG21 THR 20 2.090 1.228 11.906 158 2HG2 THR 20 HG22 THR 20 1.042 0.099 11.014 159 3HG2 THR 20 HG23 THR 20 2.480 0.791 10.225 160 H LEU 21 HN LEU 21 -1.638 3.377 8.830 161 HA LEU 21 HA LEU 21 -3.482 1.443 8.977 162 1HB LEU 21 HB2 LEU 21 -3.618 4.033 8.645 163 2HB LEU 21 HB3 LEU 21 -3.833 3.624 6.955 164 HG LEU 21 HG LEU 21 -5.601 2.782 9.265 165 1HD1 LEU 21 HD11 LEU 21 -5.946 5.085 8.649 166 2HD1 LEU 21 HD12 LEU 21 -6.058 4.652 6.926 167 3HD1 LEU 21 HD13 LEU 21 -7.317 4.113 8.063 168 1HD2 LEU 21 HD21 LEU 21 -5.655 1.954 6.359 169 2HD2 LEU 21 HD22 LEU 21 -5.591 0.921 7.807 170 3HD2 LEU 21 HD23 LEU 21 -7.071 1.836 7.431 171 H LEU 22 HN LEU 22 -2.012 2.591 5.856 172 HA LEU 22 HA LEU 22 -3.235 0.526 4.368 173 1HB LEU 22 HB2 LEU 22 -1.571 1.264 2.621 174 2HB LEU 22 HB3 LEU 22 -2.715 2.460 3.198 175 HG LEU 22 HG LEU 22 -0.484 2.783 4.859 176 1HD1 LEU 22 HD11 LEU 22 0.425 2.446 1.987 177 2HD1 LEU 22 HD12 LEU 22 1.404 3.058 3.342 178 3HD1 LEU 22 HD13 LEU 22 0.834 1.371 3.345 179 1HD2 LEU 22 HD21 LEU 22 -0.591 4.944 4.169 180 2HD2 LEU 22 HD22 LEU 22 -0.752 4.512 2.450 181 3HD2 LEU 22 HD23 LEU 22 -2.157 4.384 3.535 182 H VAL 23 HN VAL 23 0.272 1.058 5.179 183 HA VAL 23 HA VAL 23 1.217 -1.347 4.370 184 HB VAL 23 HB VAL 23 2.666 0.394 5.071 185 1HG1 VAL 23 HG11 VAL 23 2.106 0.112 7.986 186 2HG1 VAL 23 HG12 VAL 23 2.609 1.537 7.044 187 3HG1 VAL 23 HG13 VAL 23 0.911 1.000 7.009 188 1HG2 VAL 23 HG21 VAL 23 3.717 -1.716 5.312 189 2HG2 VAL 23 HG22 VAL 23 4.115 -0.809 6.791 190 3HG2 VAL 23 HG23 VAL 23 2.853 -2.064 6.829 191 H GLN 24 HN GLN 24 -0.108 -0.558 7.659 192 HA GLN 24 HA GLN 24 0.222 -3.006 8.770 193 1HB GLN 24 HB2 GLN 24 -1.401 -2.336 10.400 194 2HB GLN 24 HB3 GLN 24 -0.621 -0.863 9.862 195 1HG GLN 24 HG2 GLN 24 -2.527 -0.056 8.857 196 2HG GLN 24 HG3 GLN 24 -2.998 -1.628 8.245 197 1HE2 GLN 24 HE21 GLN 24 -2.445 -0.106 11.424 198 2HE2 GLN 24 HE22 GLN 24 -3.910 -0.640 12.179 199 H THR 25 HN THR 25 -2.316 -1.878 6.505 200 HA THR 25 HA THR 25 -3.779 -4.366 6.751 201 HB THR 25 HB THR 25 -4.153 -1.635 5.638 202 HG1 THR 25 HG1 THR 25 -6.348 -2.372 6.321 203 1HG2 THR 25 HG21 THR 25 -4.553 -2.488 3.484 204 2HG2 THR 25 HG22 THR 25 -4.948 -4.112 4.095 205 3HG2 THR 25 HG23 THR 25 -6.135 -2.794 4.240 206 H ALA 26 HN ALA 26 -1.217 -2.980 4.785 207 HA ALA 26 HA ALA 26 -1.628 -4.919 2.680 208 1HB ALA 26 HB1 ALA 26 -0.899 -2.808 1.911 209 2HB ALA 26 HB2 ALA 26 0.306 -2.649 3.212 210 3HB ALA 26 HB3 ALA 26 0.575 -3.805 1.885 211 H SER 27 HN SER 27 0.451 -4.341 5.538 212 HA SER 27 HA SER 27 1.990 -6.686 4.862 213 1HB SER 27 HB2 SER 27 3.566 -5.956 6.448 214 2HB SER 27 HB3 SER 27 2.941 -4.449 5.807 215 HG SER 27 HG SER 27 3.034 -5.104 8.346 216 H LYS 28 HN LYS 28 -0.677 -7.346 5.289 217 HA LYS 28 HA LYS 28 -0.444 -8.931 7.700 218 1HB LYS 28 HB2 LYS 28 -2.756 -8.250 8.430 219 2HB LYS 28 HB3 LYS 28 -1.503 -7.050 8.672 220 1HG LYS 28 HG2 LYS 28 -3.298 -5.817 7.719 221 2HG LYS 28 HG3 LYS 28 -2.201 -6.070 6.376 222 1HD LYS 28 HD2 LYS 28 -4.391 -6.603 5.542 223 2HD LYS 28 HD3 LYS 28 -3.573 -8.139 5.756 224 1HE LYS 28 HE2 LYS 28 -5.003 -7.246 8.193 225 2HE LYS 28 HE3 LYS 28 -6.068 -7.463 6.819 226 1HZ LYS 28 HZ1 LYS 28 -4.090 -9.498 7.532 227 2HZ LYS 28 HZ2 LYS 28 -5.565 -9.465 8.231 228 3HZ LYS 28 HZ3 LYS 28 -5.431 -9.667 6.616 229 H PHE 29 HN PHE 29 -0.399 -9.204 4.677 230 HA PHE 29 HA PHE 29 -2.728 -10.982 4.465 231 1HB PHE 29 HB2 PHE 29 -1.066 -9.476 2.356 232 2HB PHE 29 HB3 PHE 29 -2.404 -10.539 1.969 233 HD1 PHE 29 HD1 PHE 29 -4.267 -9.671 4.210 234 HD2 PHE 29 HD2 PHE 29 -1.895 -7.451 1.480 235 HE1 PHE 29 HE1 PHE 29 -5.857 -7.738 4.400 236 HE2 PHE 29 HE2 PHE 29 -3.485 -5.518 1.670 237 HZ PHE 29 HZ PHE 29 -5.447 -5.685 3.128 238 H ASN 30 HN ASN 30 -2.379 -13.123 3.914 239 HA ASN 30 HA ASN 30 0.103 -14.188 4.369 240 1HB ASN 30 HB2 ASN 30 -2.507 -15.141 3.260 241 2HB ASN 30 HB3 ASN 30 -1.125 -16.109 2.786 242 1HD2 ASN 30 HD21 ASN 30 -3.513 -16.109 4.845 243 2HD2 ASN 30 HD22 ASN 30 -2.810 -16.790 6.274 244 H SER 31 HN SER 31 -1.089 -12.443 1.660 245 HA SER 31 HA SER 31 0.817 -13.743 -0.118 246 1HB SER 31 HB2 SER 31 -0.449 -12.680 -1.967 247 2HB SER 31 HB3 SER 31 -1.484 -13.693 -0.979 248 HG SER 31 HG SER 31 -2.066 -11.276 -1.623 249 H ASP 32 HN ASP 32 1.396 -11.785 -1.949 250 HA ASP 32 HA ASP 32 2.931 -9.991 -0.330 251 1HB ASP 32 HB2 ASP 32 3.310 -11.268 -2.789 252 2HB ASP 32 HB3 ASP 32 2.984 -9.614 -3.269 253 H ILE 33 HN ILE 33 2.914 -7.591 -0.784 254 HA ILE 33 HA ILE 33 1.061 -6.378 -2.460 255 HB ILE 33 HB ILE 33 -0.594 -7.425 -0.983 256 1HG1 ILE 33 HG12 ILE 33 -0.748 -5.045 -2.093 257 2HG1 ILE 33 HG13 ILE 33 -2.007 -5.628 -1.024 258 1HG2 ILE 33 HG21 ILE 33 -0.630 -5.997 1.345 259 2HG2 ILE 33 HG22 ILE 33 0.011 -7.647 1.163 260 3HG2 ILE 33 HG23 ILE 33 1.115 -6.253 1.105 261 1HD1 ILE 33 HD11 ILE 33 -1.326 -4.256 0.765 262 2HD1 ILE 33 HD12 ILE 33 0.332 -4.097 0.138 263 3HD1 ILE 33 HD13 ILE 33 -1.004 -3.221 -0.646 264 H ASN 34 HN ASN 34 2.192 -4.573 -2.907 265 HA ASN 34 HA ASN 34 3.403 -3.234 -0.620 266 1HB ASN 34 HB2 ASN 34 4.587 -3.277 -3.439 267 2HB ASN 34 HB3 ASN 34 5.351 -2.662 -1.987 268 1HD2 ASN 34 HD21 ASN 34 7.000 -4.188 -2.945 269 2HD2 ASN 34 HD22 ASN 34 7.009 -5.821 -2.369 270 H LEU 35 HN LEU 35 4.154 -0.840 -1.628 271 HA LEU 35 HA LEU 35 1.830 0.120 -3.150 272 1HB LEU 35 HB2 LEU 35 1.414 1.714 -1.663 273 2HB LEU 35 HB3 LEU 35 2.294 0.681 -0.554 274 HG LEU 35 HG LEU 35 4.360 1.980 -1.001 275 1HD1 LEU 35 HD11 LEU 35 4.463 3.147 -2.895 276 2HD1 LEU 35 HD12 LEU 35 2.695 3.136 -3.095 277 3HD1 LEU 35 HD13 LEU 35 3.467 4.374 -2.076 278 1HD2 LEU 35 HD21 LEU 35 2.835 4.238 -0.171 279 2HD2 LEU 35 HD22 LEU 35 2.061 2.775 0.483 280 3HD2 LEU 35 HD23 LEU 35 3.778 3.100 0.820 281 H GLU 36 HN GLU 36 2.220 1.608 -4.815 282 HA GLU 36 HA GLU 36 5.056 2.076 -5.317 283 1HB GLU 36 HB2 GLU 36 4.095 0.355 -6.856 284 2HB GLU 36 HB3 GLU 36 2.889 1.509 -7.389 285 1HG GLU 36 HG2 GLU 36 5.889 2.027 -7.605 286 2HG GLU 36 HG3 GLU 36 4.955 1.289 -8.891 287 H TYR 37 HN TYR 37 5.491 4.225 -5.105 288 HA TYR 37 HA TYR 37 3.341 6.096 -5.827 289 1HB TYR 37 HB2 TYR 37 3.940 6.412 -3.521 290 2HB TYR 37 HB3 TYR 37 5.598 5.915 -3.793 291 HD1 TYR 37 HD1 TYR 37 3.204 8.720 -4.201 292 HD2 TYR 37 HD2 TYR 37 7.306 7.509 -4.321 293 HE1 TYR 37 HE1 TYR 37 3.928 11.156 -4.285 294 HE2 TYR 37 HE2 TYR 37 8.016 9.949 -4.405 295 HH TYR 37 HH TYR 37 7.376 12.010 -4.321 296 H LYS 38 HN LYS 38 4.297 8.348 -6.491 297 HA LYS 38 HA LYS 38 5.647 7.998 -8.887 298 1HB LYS 38 HB2 LYS 38 5.240 10.467 -7.176 299 2HB LYS 38 HB3 LYS 38 5.881 10.498 -8.806 300 1HG LYS 38 HG2 LYS 38 3.731 9.126 -9.447 301 2HG LYS 38 HG3 LYS 38 3.109 9.651 -7.896 302 1HD LYS 38 HD2 LYS 38 2.423 11.202 -9.715 303 2HD LYS 38 HD3 LYS 38 3.411 12.020 -8.521 304 1HE LYS 38 HE2 LYS 38 5.210 12.276 -9.969 305 2HE LYS 38 HE3 LYS 38 4.891 10.774 -10.812 306 1HZ LYS 38 HZ1 LYS 38 3.870 11.950 -12.343 307 2HZ LYS 38 HZ2 LYS 38 2.745 12.447 -11.269 308 3HZ LYS 38 HZ3 LYS 38 4.090 13.340 -11.515 309 H GLY 39 HN GLY 39 7.233 6.427 -7.479 310 1HA GLY 39 HA1 GLY 39 9.788 7.717 -7.655 311 2HA GLY 39 HA2 GLY 39 9.320 7.386 -5.998 312 H LYS 40 HN LYS 40 7.826 4.969 -6.338 313 HA LYS 40 HA LYS 40 8.902 3.033 -7.915 314 1HB LYS 40 HB2 LYS 40 10.519 1.908 -6.327 315 2HB LYS 40 HB3 LYS 40 11.103 3.351 -7.131 316 1HG LYS 40 HG2 LYS 40 11.748 3.760 -4.911 317 2HG LYS 40 HG3 LYS 40 10.223 4.620 -4.995 318 1HD LYS 40 HD2 LYS 40 9.287 2.170 -4.257 319 2HD LYS 40 HD3 LYS 40 10.892 2.068 -3.562 320 1HE LYS 40 HE2 LYS 40 8.617 3.891 -2.836 321 2HE LYS 40 HE3 LYS 40 9.764 3.075 -1.790 322 1HZ LYS 40 HZ1 LYS 40 11.333 4.742 -3.155 323 2HZ LYS 40 HZ2 LYS 40 9.968 5.631 -3.044 324 3HZ LYS 40 HZ3 LYS 40 10.692 5.074 -1.690 325 H SER 41 HN SER 41 8.815 0.743 -6.491 326 HA SER 41 HA SER 41 6.450 1.042 -4.818 327 1HB SER 41 HB2 SER 41 5.309 -0.707 -5.909 328 2HB SER 41 HB3 SER 41 6.035 0.178 -7.236 329 HG SER 41 HG SER 41 7.865 -1.409 -7.073 330 H VAL 42 HN VAL 42 6.709 0.083 -2.826 331 HA VAL 42 HA VAL 42 8.416 -2.257 -2.630 332 HB VAL 42 HB VAL 42 9.822 -1.364 -0.949 333 1HG1 VAL 42 HG11 VAL 42 10.926 0.566 -2.143 334 2HG1 VAL 42 HG12 VAL 42 10.644 -0.880 -3.143 335 3HG1 VAL 42 HG13 VAL 42 9.575 0.534 -3.301 336 1HG2 VAL 42 HG21 VAL 42 8.021 0.066 0.106 337 2HG2 VAL 42 HG22 VAL 42 9.640 0.802 0.038 338 3HG2 VAL 42 HG23 VAL 42 8.387 1.300 -1.123 339 H ASN 43 HN ASN 43 8.004 -3.492 -0.672 340 HA ASN 43 HA ASN 43 5.419 -3.746 -0.044 341 1HB ASN 43 HB2 ASN 43 7.604 -4.170 2.047 342 2HB ASN 43 HB3 ASN 43 6.134 -5.101 1.839 343 1HD2 ASN 43 HD21 ASN 43 6.085 -6.797 0.513 344 2HD2 ASN 43 HD22 ASN 43 7.390 -7.339 -0.489 345 H LEU 44 HN LEU 44 4.708 -1.393 0.133 346 HA LEU 44 HA LEU 44 5.050 0.659 1.383 347 1HB LEU 44 HB2 LEU 44 2.886 -0.419 2.984 348 2HB LEU 44 HB3 LEU 44 2.882 0.858 1.783 349 HG LEU 44 HG LEU 44 2.861 -0.994 0.015 350 1HD1 LEU 44 HD11 LEU 44 3.563 -2.854 1.403 351 2HD1 LEU 44 HD12 LEU 44 2.126 -2.664 2.436 352 3HD1 LEU 44 HD13 LEU 44 1.942 -3.165 0.738 353 1HD2 LEU 44 HD21 LEU 44 0.910 0.464 0.895 354 2HD2 LEU 44 HD22 LEU 44 0.540 -0.990 -0.063 355 3HD2 LEU 44 HD23 LEU 44 0.374 -1.026 1.709 356 H LYS 45 HN LYS 45 4.963 -2.361 3.359 357 HA LYS 45 HA LYS 45 5.648 -1.034 5.759 358 1HB LYS 45 HB2 LYS 45 4.615 -3.453 5.170 359 2HB LYS 45 HB3 LYS 45 6.289 -3.919 5.395 360 1HG LYS 45 HG2 LYS 45 5.492 -2.050 7.491 361 2HG LYS 45 HG3 LYS 45 4.354 -3.380 7.418 362 1HD LYS 45 HD2 LYS 45 6.656 -4.809 7.225 363 2HD LYS 45 HD3 LYS 45 7.285 -3.418 8.086 364 1HE LYS 45 HE2 LYS 45 5.137 -3.776 9.632 365 2HE LYS 45 HE3 LYS 45 5.177 -5.400 8.974 366 1HZ LYS 45 HZ1 LYS 45 7.712 -4.398 9.868 367 2HZ LYS 45 HZ2 LYS 45 6.608 -4.613 11.052 368 3HZ LYS 45 HZ3 LYS 45 7.032 -5.865 10.093 369 H SER 46 HN SER 46 7.347 -1.136 2.963 370 HA SER 46 HA SER 46 9.871 -1.870 4.112 371 1HB SER 46 HB2 SER 46 8.983 -2.199 1.630 372 2HB SER 46 HB3 SER 46 9.554 -0.558 1.406 373 HG SER 46 HG SER 46 11.331 -2.376 2.687 374 H ILE 47 HN ILE 47 10.029 -0.229 5.801 375 HA ILE 47 HA ILE 47 9.630 2.413 5.640 376 HB ILE 47 HB ILE 47 10.880 0.681 7.367 377 1HG1 ILE 47 HG12 ILE 47 10.840 2.547 8.934 378 2HG1 ILE 47 HG13 ILE 47 10.719 3.698 7.619 379 1HG2 ILE 47 HG21 ILE 47 12.999 1.958 7.965 380 2HG2 ILE 47 HG22 ILE 47 13.068 0.912 6.526 381 3HG2 ILE 47 HG23 ILE 47 12.901 2.674 6.338 382 1HD1 ILE 47 HD11 ILE 47 8.578 2.446 8.957 383 2HD1 ILE 47 HD12 ILE 47 8.476 3.405 7.461 384 3HD1 ILE 47 HD13 ILE 47 8.655 1.636 7.373 385 H MET 48 HN MET 48 12.758 0.803 4.716 386 HA MET 48 HA MET 48 14.147 2.890 3.881 387 1HB MET 48 HB2 MET 48 14.732 1.127 1.854 388 2HB MET 48 HB3 MET 48 15.317 0.919 3.493 389 1HG MET 48 HG2 MET 48 13.796 -0.786 3.978 390 2HG MET 48 HG3 MET 48 12.572 -0.158 2.892 391 1HE MET 48 HE1 MET 48 13.952 -1.132 -0.620 392 2HE MET 48 HE2 MET 48 12.492 -0.641 0.273 393 3HE MET 48 HE3 MET 48 13.934 0.402 0.283 394 H GLY 49 HN GLY 49 12.332 0.964 1.390 395 1HA GLY 49 HA1 GLY 49 12.402 2.873 -0.604 396 2HA GLY 49 HA2 GLY 49 11.212 1.595 -0.453 397 H VAL 50 HN VAL 50 9.926 2.324 1.987 398 HA VAL 50 HA VAL 50 8.128 4.248 1.034 399 HB VAL 50 HB VAL 50 8.467 2.487 3.305 400 1HG1 VAL 50 HG11 VAL 50 6.996 3.879 4.849 401 2HG1 VAL 50 HG12 VAL 50 8.699 4.378 4.721 402 3HG1 VAL 50 HG13 VAL 50 7.438 5.283 3.850 403 1HG2 VAL 50 HG21 VAL 50 6.680 1.955 1.950 404 2HG2 VAL 50 HG22 VAL 50 5.854 2.872 3.232 405 3HG2 VAL 50 HG23 VAL 50 6.233 3.656 1.680 406 H MET 51 HN MET 51 10.745 4.389 3.539 407 HA MET 51 HA MET 51 10.406 6.847 4.488 408 1HB MET 51 HB2 MET 51 12.252 5.363 5.178 409 2HB MET 51 HB3 MET 51 12.991 5.463 3.592 410 1HG MET 51 HG2 MET 51 14.203 7.241 4.317 411 2HG MET 51 HG3 MET 51 12.717 8.162 4.445 412 1HE MET 51 HE1 MET 51 11.836 5.522 7.096 413 2HE MET 51 HE2 MET 51 11.470 7.029 7.969 414 3HE MET 51 HE3 MET 51 11.043 6.872 6.248 415 H SER 52 HN SER 52 12.405 6.129 1.528 416 HA SER 52 HA SER 52 12.684 8.854 0.928 417 1HB SER 52 HB2 SER 52 14.180 8.085 -0.596 418 2HB SER 52 HB3 SER 52 13.896 6.506 0.110 419 HG SER 52 HG SER 52 11.953 6.551 -1.534 420 H LEU 53 HN LEU 53 10.050 6.697 0.674 421 HA LEU 53 HA LEU 53 8.960 7.970 -1.702 422 1HB LEU 53 HB2 LEU 53 8.887 5.504 -1.372 423 2HB LEU 53 HB3 LEU 53 7.837 5.749 0.010 424 HG LEU 53 HG LEU 53 7.187 6.575 -2.834 425 1HD1 LEU 53 HD11 LEU 53 6.698 4.438 -3.192 426 2HD1 LEU 53 HD12 LEU 53 6.995 4.016 -1.488 427 3HD1 LEU 53 HD13 LEU 53 5.392 4.604 -1.993 428 1HD2 LEU 53 HD21 LEU 53 6.044 8.033 -1.337 429 2HD2 LEU 53 HD22 LEU 53 4.865 6.825 -1.902 430 3HD2 LEU 53 HD23 LEU 53 5.574 6.683 -0.276 431 H GLY 54 HN GLY 54 6.947 6.939 1.035 432 1HA GLY 54 HA1 GLY 54 5.488 8.063 2.321 433 2HA GLY 54 HA2 GLY 54 6.661 9.364 2.372 434 H VAL 55 HN VAL 55 3.508 8.850 1.758 435 HA VAL 55 HA VAL 55 3.454 10.902 -0.343 436 HB VAL 55 HB VAL 55 1.084 9.583 -0.629 437 1HG1 VAL 55 HG11 VAL 55 3.312 10.175 -2.167 438 2HG1 VAL 55 HG12 VAL 55 3.189 8.404 -2.291 439 3HG1 VAL 55 HG13 VAL 55 1.805 9.425 -2.747 440 1HG2 VAL 55 HG21 VAL 55 3.050 7.317 -0.467 441 2HG2 VAL 55 HG22 VAL 55 2.186 7.840 0.999 442 3HG2 VAL 55 HG23 VAL 55 1.271 7.287 -0.424 443 H GLY 56 HN GLY 56 0.834 11.630 -0.313 444 1HA GLY 56 HA1 GLY 56 -0.663 11.776 1.910 445 2HA GLY 56 HA2 GLY 56 0.617 12.916 2.276 446 H GLN 57 HN GLN 57 0.977 14.777 0.822 447 HA GLN 57 HA GLN 57 -1.263 16.126 0.226 448 1HB GLN 57 HB2 GLN 57 0.123 17.708 -0.884 449 2HB GLN 57 HB3 GLN 57 1.176 16.937 0.285 450 1HG GLN 57 HG2 GLN 57 1.601 15.255 -1.801 451 2HG GLN 57 HG3 GLN 57 1.151 16.683 -2.712 452 1HE2 GLN 57 HE21 GLN 57 3.718 15.196 -2.278 453 2HE2 GLN 57 HE22 GLN 57 4.884 16.386 -1.805 454 H GLY 58 HN GLY 58 -2.780 14.610 -0.767 455 1HA GLY 58 HA1 GLY 58 -3.792 13.547 -2.481 456 2HA GLY 58 HA2 GLY 58 -3.250 14.922 -3.425 457 H SER 59 HN SER 59 -0.564 13.268 -2.065 458 HA SER 59 HA SER 59 0.568 12.648 -4.430 459 1HB SER 59 HB2 SER 59 0.963 10.987 -1.909 460 2HB SER 59 HB3 SER 59 2.135 11.282 -3.178 461 HG SER 59 HG SER 59 2.555 13.280 -2.409 462 H ASP 60 HN ASP 60 0.442 10.973 -5.932 463 HA ASP 60 HA ASP 60 -1.659 9.059 -5.426 464 1HB ASP 60 HB2 ASP 60 -1.539 8.606 -7.839 465 2HB ASP 60 HB3 ASP 60 -1.656 10.333 -7.563 466 H VAL 61 HN VAL 61 -1.254 6.727 -5.696 467 HA VAL 61 HA VAL 61 1.481 5.892 -6.125 468 HB VAL 61 HB VAL 61 1.561 4.614 -4.035 469 1HG1 VAL 61 HG11 VAL 61 1.067 7.503 -3.306 470 2HG1 VAL 61 HG12 VAL 61 2.292 6.378 -2.671 471 3HG1 VAL 61 HG13 VAL 61 2.445 7.022 -4.324 472 1HG2 VAL 61 HG21 VAL 61 -0.755 6.218 -2.967 473 2HG2 VAL 61 HG22 VAL 61 -1.036 4.679 -3.817 474 3HG2 VAL 61 HG23 VAL 61 -0.037 4.713 -2.344 475 H THR 62 HN THR 62 1.487 3.317 -5.895 476 HA THR 62 HA THR 62 -1.096 2.296 -6.849 477 HB THR 62 HB THR 62 1.568 2.411 -8.252 478 HG1 THR 62 HG1 THR 62 0.059 3.311 -9.594 479 1HG2 THR 62 HG21 THR 62 -0.314 0.019 -8.216 480 2HG2 THR 62 HG22 THR 62 0.541 0.466 -9.711 481 3HG2 THR 62 HG23 THR 62 1.465 0.029 -8.254 482 H ILE 63 HN ILE 63 -1.765 0.590 -5.718 483 HA ILE 63 HA ILE 63 0.219 -0.722 -4.031 484 HB ILE 63 HB ILE 63 -2.302 0.234 -3.531 485 1HG1 ILE 63 HG12 ILE 63 -1.904 -1.584 -1.508 486 2HG1 ILE 63 HG13 ILE 63 -0.284 -1.414 -2.155 487 1HG2 ILE 63 HG21 ILE 63 -2.622 -2.756 -3.433 488 2HG2 ILE 63 HG22 ILE 63 -3.856 -1.479 -3.305 489 3HG2 ILE 63 HG23 ILE 63 -3.095 -1.827 -4.876 490 1HD1 ILE 63 HD11 ILE 63 -1.733 0.424 -0.484 491 2HD1 ILE 63 HD12 ILE 63 -0.073 0.579 -1.109 492 3HD1 ILE 63 HD13 ILE 63 -1.442 1.217 -2.051 493 H THR 64 HN THR 64 0.594 -2.972 -4.082 494 HA THR 64 HA THR 64 -0.655 -4.387 -6.337 495 HB THR 64 HB THR 64 2.274 -4.754 -5.636 496 HG1 THR 64 HG1 THR 64 1.155 -2.857 -7.557 497 1HG2 THR 64 HG21 THR 64 0.442 -5.567 -7.759 498 2HG2 THR 64 HG22 THR 64 1.747 -4.565 -8.437 499 3HG2 THR 64 HG23 THR 64 2.141 -6.039 -7.521 500 H VAL 65 HN VAL 65 -1.169 -6.525 -6.005 501 HA VAL 65 HA VAL 65 -0.428 -7.597 -3.378 502 HB VAL 65 HB VAL 65 -2.748 -6.597 -3.466 503 1HG1 VAL 65 HG11 VAL 65 -4.226 -8.684 -4.561 504 2HG1 VAL 65 HG12 VAL 65 -3.981 -7.073 -5.275 505 3HG1 VAL 65 HG13 VAL 65 -2.919 -8.424 -5.741 506 1HG2 VAL 65 HG21 VAL 65 -2.524 -7.990 -1.662 507 2HG2 VAL 65 HG22 VAL 65 -3.766 -8.889 -2.566 508 3HG2 VAL 65 HG23 VAL 65 -2.060 -9.392 -2.656 509 H ASP 66 HN ASP 66 0.837 -9.337 -3.766 510 HA ASP 66 HA ASP 66 0.062 -10.979 -6.049 511 1HB ASP 66 HB2 ASP 66 2.814 -11.376 -5.098 512 2HB ASP 66 HB3 ASP 66 2.239 -11.078 -6.726 513 H GLY 67 HN GLY 67 -0.549 -13.070 -5.448 514 1HA GLY 67 HA1 GLY 67 0.346 -15.020 -4.135 515 2HA GLY 67 HA2 GLY 67 0.213 -13.971 -2.737 516 H ALA 68 HN ALA 68 -1.261 -15.741 -1.935 517 HA ALA 68 HA ALA 68 -3.708 -16.241 -3.234 518 1HB ALA 68 HB1 ALA 68 -2.381 -16.856 -0.651 519 2HB ALA 68 HB2 ALA 68 -4.160 -16.847 -0.604 520 3HB ALA 68 HB3 ALA 68 -3.306 -17.914 -1.744 521 H ASP 69 HN ASP 69 -3.051 -14.401 -0.161 522 HA ASP 69 HA ASP 69 -5.415 -13.358 0.292 523 1HB ASP 69 HB2 ASP 69 -2.705 -12.646 0.880 524 2HB ASP 69 HB3 ASP 69 -3.506 -11.160 0.410 525 H GLU 70 HN GLU 70 -3.235 -12.577 -2.409 526 HA GLU 70 HA GLU 70 -3.434 -10.461 -3.537 527 1HB GLU 70 HB2 GLU 70 -4.503 -13.018 -4.592 528 2HB GLU 70 HB3 GLU 70 -5.029 -11.611 -5.494 529 1HG GLU 70 HG2 GLU 70 -2.756 -10.920 -5.943 530 2HG GLU 70 HG3 GLU 70 -2.104 -12.033 -4.756 531 H ALA 71 HN ALA 71 -6.679 -12.088 -3.765 532 HA ALA 71 HA ALA 71 -8.088 -9.756 -4.227 533 1HB ALA 71 HB1 ALA 71 -10.052 -11.170 -3.438 534 2HB ALA 71 HB2 ALA 71 -9.049 -11.899 -4.715 535 3HB ALA 71 HB3 ALA 71 -8.870 -12.436 -3.028 536 H GLU 72 HN GLU 72 -8.263 -11.656 -1.136 537 HA GLU 72 HA GLU 72 -9.391 -9.715 0.348 538 1HB GLU 72 HB2 GLU 72 -7.488 -11.095 2.019 539 2HB GLU 72 HB3 GLU 72 -9.221 -11.335 1.909 540 1HG GLU 72 HG2 GLU 72 -8.922 -12.866 -0.017 541 2HG GLU 72 HG3 GLU 72 -7.194 -12.571 -0.014 542 H GLY 73 HN GLY 73 -5.844 -10.309 -0.128 543 1HA GLY 73 HA1 GLY 73 -4.749 -8.458 1.533 544 2HA GLY 73 HA2 GLY 73 -4.107 -8.873 -0.044 545 H MET 74 HN MET 74 -4.950 -7.665 -1.979 546 HA MET 74 HA MET 74 -4.795 -4.967 -1.578 547 1HB MET 74 HB2 MET 74 -5.714 -4.864 -3.967 548 2HB MET 74 HB3 MET 74 -4.380 -5.982 -3.767 549 1HG MET 74 HG2 MET 74 -5.694 -7.643 -4.584 550 2HG MET 74 HG3 MET 74 -6.721 -7.493 -3.172 551 1HE MET 74 HE1 MET 74 -9.006 -8.141 -4.510 552 2HE MET 74 HE2 MET 74 -8.969 -6.945 -3.192 553 3HE MET 74 HE3 MET 74 -9.933 -6.628 -4.654 554 H ALA 75 HN ALA 75 -7.621 -7.135 -1.526 555 HA ALA 75 HA ALA 75 -9.685 -5.423 -1.958 556 1HB ALA 75 HB1 ALA 75 -9.220 -7.879 -0.331 557 2HB ALA 75 HB2 ALA 75 -10.689 -6.946 0.044 558 3HB ALA 75 HB3 ALA 75 -10.421 -7.561 -1.605 559 H ALA 76 HN ALA 76 -8.034 -6.047 1.222 560 HA ALA 76 HA ALA 76 -9.490 -4.098 2.608 561 1HB ALA 76 HB1 ALA 76 -6.851 -4.478 3.707 562 2HB ALA 76 HB2 ALA 76 -8.408 -5.106 4.297 563 3HB ALA 76 HB3 ALA 76 -7.465 -6.038 3.109 564 H ILE 77 HN ILE 77 -6.081 -4.021 1.332 565 HA ILE 77 HA ILE 77 -5.506 -1.432 1.922 566 HB ILE 77 HB ILE 77 -4.542 -3.484 0.122 567 1HG1 ILE 77 HG12 ILE 77 -3.320 -3.021 2.082 568 2HG1 ILE 77 HG13 ILE 77 -2.349 -2.396 0.764 569 1HG2 ILE 77 HG21 ILE 77 -3.530 -2.231 -1.575 570 2HG2 ILE 77 HG22 ILE 77 -5.196 -1.608 -1.501 571 3HG2 ILE 77 HG23 ILE 77 -3.866 -0.683 -0.764 572 1HD1 ILE 77 HD11 ILE 77 -4.054 -0.250 1.480 573 2HD1 ILE 77 HD12 ILE 77 -3.518 -0.965 3.020 574 3HD1 ILE 77 HD13 ILE 77 -2.316 -0.401 1.835 575 H VAL 78 HN VAL 78 -7.035 -2.642 -1.145 576 HA VAL 78 HA VAL 78 -7.402 -0.180 -2.316 577 HB VAL 78 HB VAL 78 -9.247 -2.568 -2.481 578 1HG1 VAL 78 HG11 VAL 78 -9.117 -1.590 -4.990 579 2HG1 VAL 78 HG12 VAL 78 -10.331 -1.065 -3.799 580 3HG1 VAL 78 HG13 VAL 78 -8.872 -0.084 -4.075 581 1HG2 VAL 78 HG21 VAL 78 -7.655 -3.769 -3.488 582 2HG2 VAL 78 HG22 VAL 78 -7.230 -2.418 -4.566 583 3HG2 VAL 78 HG23 VAL 78 -6.482 -2.540 -2.955 584 H GLU 79 HN GLU 79 -9.849 -2.073 -0.398 585 HA GLU 79 HA GLU 79 -11.738 -0.113 -0.345 586 1HB GLU 79 HB2 GLU 79 -11.136 -2.572 1.167 587 2HB GLU 79 HB3 GLU 79 -12.006 -1.394 2.130 588 1HG GLU 79 HG2 GLU 79 -13.179 -1.481 -0.526 589 2HG GLU 79 HG3 GLU 79 -13.051 -3.117 0.089 590 H THR 80 HN THR 80 -8.980 -0.689 1.920 591 HA THR 80 HA THR 80 -9.663 1.356 3.726 592 HB THR 80 HB THR 80 -7.640 -0.657 3.336 593 HG1 THR 80 HG1 THR 80 -8.356 -0.495 5.428 594 1HG2 THR 80 HG21 THR 80 -5.909 1.036 4.601 595 2HG2 THR 80 HG22 THR 80 -5.811 0.700 2.856 596 3HG2 THR 80 HG23 THR 80 -6.628 2.171 3.435 597 H LEU 81 HN LEU 81 -7.461 1.323 0.856 598 HA LEU 81 HA LEU 81 -6.427 3.815 1.060 599 1HB LEU 81 HB2 LEU 81 -7.231 2.108 -1.262 600 2HB LEU 81 HB3 LEU 81 -6.647 3.734 -1.551 601 HG LEU 81 HG LEU 81 -5.116 1.434 -1.291 602 1HD1 LEU 81 HD11 LEU 81 -3.931 4.159 -0.841 603 2HD1 LEU 81 HD12 LEU 81 -3.324 2.801 -1.818 604 3HD1 LEU 81 HD13 LEU 81 -4.715 3.755 -2.388 605 1HD2 LEU 81 HD21 LEU 81 -3.825 1.563 0.687 606 2HD2 LEU 81 HD22 LEU 81 -4.557 3.116 1.157 607 3HD2 LEU 81 HD23 LEU 81 -5.529 1.625 1.200 608 H GLN 82 HN GLN 82 -9.697 2.886 -0.142 609 HA GLN 82 HA GLN 82 -10.293 5.703 -0.430 610 1HB GLN 82 HB2 GLN 82 -12.307 3.544 -1.023 611 2HB GLN 82 HB3 GLN 82 -12.056 5.078 -1.833 612 1HG GLN 82 HG2 GLN 82 -10.695 4.102 -3.360 613 2HG GLN 82 HG3 GLN 82 -9.636 3.513 -2.094 614 1HE2 GLN 82 HE21 GLN 82 -10.257 2.172 -4.496 615 2HE2 GLN 82 HE22 GLN 82 -11.072 0.689 -4.127 616 H LYS 83 HN LYS 83 -10.582 3.098 1.822 617 HA LYS 83 HA LYS 83 -13.002 4.064 3.041 618 1HB LYS 83 HB2 LYS 83 -13.050 1.932 3.667 619 2HB LYS 83 HB3 LYS 83 -11.413 1.671 3.099 620 1HG LYS 83 HG2 LYS 83 -10.493 2.511 5.235 621 2HG LYS 83 HG3 LYS 83 -12.101 2.917 5.802 622 1HD LYS 83 HD2 LYS 83 -10.930 0.595 6.465 623 2HD LYS 83 HD3 LYS 83 -12.664 0.712 6.244 624 1HE LYS 83 HE2 LYS 83 -12.361 0.008 3.829 625 2HE LYS 83 HE3 LYS 83 -10.649 -0.204 4.136 626 1HZ LYS 83 HZ1 LYS 83 -12.548 -2.062 4.532 627 2HZ LYS 83 HZ2 LYS 83 -11.040 -2.111 5.158 628 3HZ LYS 83 HZ3 LYS 83 -12.276 -1.527 6.051 629 H GLU 84 HN GLU 84 -9.452 4.241 3.556 630 HA GLU 84 HA GLU 84 -9.954 5.878 5.892 631 1HB GLU 84 HB2 GLU 84 -7.185 5.169 4.923 632 2HB GLU 84 HB3 GLU 84 -7.751 5.415 6.564 633 1HG GLU 84 HG2 GLU 84 -8.727 3.086 4.857 634 2HG GLU 84 HG3 GLU 84 -7.276 2.974 5.834 635 H GLY 85 HN GLY 85 -10.410 6.650 2.947 636 1HA GLY 85 HA1 GLY 85 -9.977 8.362 1.540 637 2HA GLY 85 HA2 GLY 85 -9.863 9.303 3.014 638 H LEU 86 HN LEU 86 -7.581 6.647 2.415 639 HA LEU 86 HA LEU 86 -5.443 8.608 2.342 640 1HB LEU 86 HB2 LEU 86 -5.775 5.821 3.178 641 2HB LEU 86 HB3 LEU 86 -4.295 6.107 2.284 642 HG LEU 86 HG LEU 86 -5.155 7.652 4.747 643 1HD1 LEU 86 HD11 LEU 86 -2.785 5.909 4.901 644 2HD1 LEU 86 HD12 LEU 86 -4.092 6.189 6.075 645 3HD1 LEU 86 HD13 LEU 86 -4.336 5.053 4.727 646 1HD2 LEU 86 HD21 LEU 86 -2.367 7.629 3.644 647 2HD2 LEU 86 HD22 LEU 86 -3.593 8.701 2.926 648 3HD2 LEU 86 HD23 LEU 86 -3.188 8.844 4.653 649 H ALA 87 HN ALA 87 -7.481 7.048 0.152 650 HA ALA 87 HA ALA 87 -5.932 7.878 -2.051 651 1HB ALA 87 HB1 ALA 87 -4.608 6.073 -2.306 652 2HB ALA 87 HB2 ALA 87 -5.476 5.173 -1.039 653 3HB ALA 87 HB3 ALA 87 -6.081 5.160 -2.713 654 H GLU 88 HN GLU 88 -7.105 7.432 -4.119 655 HA GLU 88 HA GLU 88 -9.930 7.270 -3.519 656 1HB GLU 88 HB2 GLU 88 -10.111 8.108 -5.954 657 2HB GLU 88 HB3 GLU 88 -9.430 9.216 -4.779 658 1HG GLU 88 HG2 GLU 88 -7.294 9.087 -5.674 659 2HG GLU 88 HG3 GLU 88 -7.469 7.407 -6.140 660 H GLN 89 HN GLN 89 -11.091 6.390 -5.840 661 HA GLN 89 HA GLN 89 -10.635 3.636 -5.665 662 1HB GLN 89 HB2 GLN 89 -12.813 4.894 -6.255 663 2HB GLN 89 HB3 GLN 89 -12.169 5.054 -7.877 664 1HG GLN 89 HG2 GLN 89 -11.811 2.471 -7.799 665 2HG GLN 89 HG3 GLN 89 -12.843 2.489 -6.383 666 1HE2 GLN 89 HE21 GLN 89 -12.622 2.911 -9.813 667 2HE2 GLN 89 HE22 GLN 89 -14.313 2.992 -10.177 Start of MODEL 10 1 H MET 1 HN MET 1 -2.289 -11.079 -6.862 2 HA MET 1 HA MET 1 -0.628 -12.553 -8.752 3 1HB MET 1 HB2 MET 1 -3.679 -12.604 -8.428 4 2HB MET 1 HB3 MET 1 -2.851 -13.298 -9.808 5 1HG MET 1 HG2 MET 1 -1.459 -14.638 -8.014 6 2HG MET 1 HG3 MET 1 -2.740 -14.193 -6.905 7 1HE MET 1 HE1 MET 1 -1.749 -16.913 -7.640 8 2HE MET 1 HE2 MET 1 -2.931 -17.965 -8.455 9 3HE MET 1 HE3 MET 1 -1.755 -17.035 -9.415 10 H GLU 2 HN GLU 2 -2.191 -9.656 -7.864 11 HA GLU 2 HA GLU 2 -1.663 -8.602 -10.485 12 1HB GLU 2 HB2 GLU 2 -4.380 -8.131 -9.192 13 2HB GLU 2 HB3 GLU 2 -3.852 -7.577 -10.769 14 1HG GLU 2 HG2 GLU 2 -3.553 -10.026 -11.438 15 2HG GLU 2 HG3 GLU 2 -4.293 -10.474 -9.914 16 H LYS 3 HN LYS 3 -2.251 -6.034 -10.345 17 HA LYS 3 HA LYS 3 -1.332 -5.153 -7.697 18 1HB LYS 3 HB2 LYS 3 0.448 -4.156 -8.585 19 2HB LYS 3 HB3 LYS 3 0.121 -5.034 -10.065 20 1HG LYS 3 HG2 LYS 3 -1.547 -3.084 -10.612 21 2HG LYS 3 HG3 LYS 3 -0.721 -2.205 -9.340 22 1HD LYS 3 HD2 LYS 3 0.372 -1.625 -11.417 23 2HD LYS 3 HD3 LYS 3 1.477 -2.659 -10.533 24 1HE LYS 3 HE2 LYS 3 1.461 -4.213 -12.191 25 2HE LYS 3 HE3 LYS 3 -0.289 -4.305 -12.164 26 1HZ LYS 3 HZ1 LYS 3 0.622 -3.515 -14.271 27 2HZ LYS 3 HZ2 LYS 3 -0.400 -2.431 -13.601 28 3HZ LYS 3 HZ3 LYS 3 1.213 -2.184 -13.533 29 H LYS 4 HN LYS 4 -1.998 -2.914 -7.130 30 HA LYS 4 HA LYS 4 -4.298 -1.980 -8.660 31 1HB LYS 4 HB2 LYS 4 -5.112 -3.515 -6.853 32 2HB LYS 4 HB3 LYS 4 -4.403 -2.440 -5.665 33 1HG LYS 4 HG2 LYS 4 -6.681 -1.744 -5.823 34 2HG LYS 4 HG3 LYS 4 -5.788 -0.544 -6.736 35 1HD LYS 4 HD2 LYS 4 -6.321 -1.772 -8.858 36 2HD LYS 4 HD3 LYS 4 -7.229 -2.956 -7.939 37 1HE LYS 4 HE2 LYS 4 -8.764 -1.148 -7.129 38 2HE LYS 4 HE3 LYS 4 -7.857 0.034 -8.051 39 1HZ LYS 4 HZ1 LYS 4 -8.845 -2.293 -9.465 40 2HZ LYS 4 HZ2 LYS 4 -9.933 -1.153 -9.035 41 3HZ LYS 4 HZ3 LYS 4 -8.668 -0.756 -9.990 42 H GLU 5 HN GLU 5 -3.833 0.075 -9.208 43 HA GLU 5 HA GLU 5 -1.933 1.494 -7.589 44 1HB GLU 5 HB2 GLU 5 -3.349 2.412 -10.128 45 2HB GLU 5 HB3 GLU 5 -1.922 3.134 -9.411 46 1HG GLU 5 HG2 GLU 5 -0.656 1.735 -10.669 47 2HG GLU 5 HG3 GLU 5 -1.254 0.400 -9.704 48 H PHE 6 HN PHE 6 -2.342 3.640 -6.681 49 HA PHE 6 HA PHE 6 -5.115 4.465 -6.567 50 1HB PHE 6 HB2 PHE 6 -3.364 3.869 -4.107 51 2HB PHE 6 HB3 PHE 6 -5.013 4.461 -4.053 52 HD1 PHE 6 HD1 PHE 6 -2.913 1.543 -4.865 53 HD2 PHE 6 HD2 PHE 6 -6.865 2.974 -4.279 54 HE1 PHE 6 HE1 PHE 6 -3.759 -0.820 -4.801 55 HE2 PHE 6 HE2 PHE 6 -7.711 0.611 -4.215 56 HZ PHE 6 HZ PHE 6 -6.148 -1.257 -4.477 57 H HIS 7 HN HIS 7 -5.051 6.458 -4.734 58 HA HIS 7 HA HIS 7 -2.610 7.950 -5.020 59 1HB HIS 7 HB2 HIS 7 -3.287 8.894 -6.948 60 2HB HIS 7 HB3 HIS 7 -4.965 8.449 -6.711 61 HD1 HIS 7 HD1 HIS 7 -3.188 11.370 -7.225 62 HD2 HIS 7 HD2 HIS 7 -5.881 10.234 -4.217 63 HE1 HIS 7 HE1 HIS 7 -4.081 13.534 -6.211 64 H ILE 8 HN ILE 8 -2.336 9.404 -3.323 65 HA ILE 8 HA ILE 8 -4.027 9.051 -1.101 66 HB ILE 8 HB ILE 8 -1.848 11.071 -1.643 67 1HG1 ILE 8 HG12 ILE 8 -0.679 9.117 -1.741 68 2HG1 ILE 8 HG13 ILE 8 -0.671 9.361 -0.006 69 1HG2 ILE 8 HG21 ILE 8 -3.321 11.817 0.157 70 2HG2 ILE 8 HG22 ILE 8 -3.129 10.250 0.979 71 3HG2 ILE 8 HG23 ILE 8 -1.729 11.332 0.787 72 1HD1 ILE 8 HD11 ILE 8 -1.317 7.018 -0.727 73 2HD1 ILE 8 HD12 ILE 8 -2.526 7.818 0.306 74 3HD1 ILE 8 HD13 ILE 8 -2.790 7.708 -1.450 75 H VAL 9 HN VAL 9 -5.893 10.044 -0.542 76 HA VAL 9 HA VAL 9 -6.480 12.582 -1.902 77 HB VAL 9 HB VAL 9 -8.875 11.837 -1.807 78 1HG1 VAL 9 HG11 VAL 9 -7.449 9.843 -3.514 79 2HG1 VAL 9 HG12 VAL 9 -8.755 10.981 -3.924 80 3HG1 VAL 9 HG13 VAL 9 -7.081 11.566 -3.770 81 1HG2 VAL 9 HG21 VAL 9 -9.405 9.998 -0.663 82 2HG2 VAL 9 HG22 VAL 9 -8.530 9.032 -1.875 83 3HG2 VAL 9 HG23 VAL 9 -7.686 9.607 -0.417 84 H ALA 10 HN ALA 10 -5.314 11.569 0.848 85 HA ALA 10 HA ALA 10 -7.317 12.842 2.565 86 1HB ALA 10 HB1 ALA 10 -6.738 10.713 3.415 87 2HB ALA 10 HB2 ALA 10 -5.014 10.930 3.033 88 3HB ALA 10 HB3 ALA 10 -5.751 11.844 4.370 89 H GLU 11 HN GLU 11 -4.320 13.344 0.899 90 HA GLU 11 HA GLU 11 -2.744 14.850 1.029 91 1HB GLU 11 HB2 GLU 11 -3.496 17.165 1.140 92 2HB GLU 11 HB3 GLU 11 -4.713 16.218 0.308 93 1HG GLU 11 HG2 GLU 11 -6.145 16.160 2.257 94 2HG GLU 11 HG3 GLU 11 -4.870 16.752 3.303 95 H THR 12 HN THR 12 -3.543 13.326 3.626 96 HA THR 12 HA THR 12 -2.911 15.113 5.755 97 HB THR 12 HB THR 12 -4.244 12.791 5.627 98 HG1 THR 12 HG1 THR 12 -3.997 14.026 7.566 99 1HG2 THR 12 HG21 THR 12 -1.353 12.010 6.269 100 2HG2 THR 12 HG22 THR 12 -2.766 11.014 6.695 101 3HG2 THR 12 HG23 THR 12 -2.378 11.324 4.985 102 H GLY 13 HN GLY 13 -1.069 12.327 4.324 103 1HA GLY 13 HA1 GLY 13 1.253 13.112 3.659 104 2HA GLY 13 HA2 GLY 13 1.384 13.627 5.329 105 H ILE 14 HN ILE 14 -0.393 10.707 4.216 106 HA ILE 14 HA ILE 14 -0.252 8.661 5.196 107 HB ILE 14 HB ILE 14 2.093 9.123 3.400 108 1HG1 ILE 14 HG12 ILE 14 0.852 7.947 1.816 109 2HG1 ILE 14 HG13 ILE 14 -0.134 7.139 3.019 110 1HG2 ILE 14 HG21 ILE 14 2.099 6.427 3.555 111 2HG2 ILE 14 HG22 ILE 14 3.205 7.479 4.472 112 3HG2 ILE 14 HG23 ILE 14 1.738 6.838 5.249 113 1HD1 ILE 14 HD11 ILE 14 -0.218 10.140 2.462 114 2HD1 ILE 14 HD12 ILE 14 -1.376 8.953 1.816 115 3HD1 ILE 14 HD13 ILE 14 -1.284 9.243 3.570 116 H HIS 15 HN HIS 15 -0.146 9.517 7.450 117 HA HIS 15 HA HIS 15 2.538 9.358 8.569 118 1HB HIS 15 HB2 HIS 15 1.142 10.168 10.656 119 2HB HIS 15 HB3 HIS 15 1.668 11.284 9.411 120 HD2 HIS 15 HD2 HIS 15 -0.396 12.348 7.781 121 HE1 HIS 15 HE1 HIS 15 -3.600 10.682 10.032 122 HE2 HIS 15 HE2 HIS 15 -2.908 12.378 8.205 123 H ALA 16 HN ALA 16 2.480 8.345 10.946 124 HA ALA 16 HA ALA 16 2.292 5.682 10.763 125 1HB ALA 16 HB1 ALA 16 3.257 6.947 12.658 126 2HB ALA 16 HB2 ALA 16 1.618 7.368 13.208 127 3HB ALA 16 HB3 ALA 16 2.153 5.671 13.223 128 H ARG 17 HN ARG 17 -0.388 7.986 11.228 129 HA ARG 17 HA ARG 17 -2.265 6.128 12.051 130 1HB ARG 17 HB2 ARG 17 -2.265 8.903 10.949 131 2HB ARG 17 HB3 ARG 17 -3.756 8.023 10.679 132 1HG ARG 17 HG2 ARG 17 -3.892 9.229 12.816 133 2HG ARG 17 HG3 ARG 17 -3.900 7.502 13.118 134 1HD ARG 17 HD2 ARG 17 -2.227 7.972 14.613 135 2HD ARG 17 HD3 ARG 17 -1.192 8.002 13.199 136 HE ARG 17 HE ARG 17 -2.107 10.572 13.225 137 1HH1 ARG 17 HH22 ARG 17 -0.797 8.551 15.791 138 2HH1 ARG 17 HH21 ARG 17 -0.141 9.885 16.681 139 1HH2 ARG 17 HH12 ARG 17 -1.242 12.332 14.399 140 2HH2 ARG 17 HH11 ARG 17 -0.397 12.050 15.884 141 HA PRO 18 HA PRO 18 -3.623 5.698 7.564 142 1HB PRO 18 HB2 PRO 18 -2.819 7.460 5.635 143 2HB PRO 18 HB3 PRO 18 -4.297 7.656 6.557 144 1HG PRO 18 HG2 PRO 18 -1.740 9.116 6.821 145 2HG PRO 18 HG3 PRO 18 -3.326 9.564 7.415 146 1HD PRO 18 HD2 PRO 18 -1.157 8.491 8.955 147 2HD PRO 18 HD3 PRO 18 -2.779 8.831 9.524 148 H ALA 19 HN ALA 19 -0.324 6.613 7.968 149 HA ALA 19 HA ALA 19 0.710 5.271 5.749 150 1HB ALA 19 HB1 ALA 19 2.817 5.562 6.834 151 2HB ALA 19 HB2 ALA 19 1.827 6.961 7.313 152 3HB ALA 19 HB3 ALA 19 2.064 5.609 8.446 153 H THR 20 HN THR 20 0.156 4.205 9.171 154 HA THR 20 HA THR 20 1.051 1.547 8.614 155 HB THR 20 HB THR 20 -0.676 2.194 10.988 156 HG1 THR 20 HG1 THR 20 1.126 3.539 11.771 157 1HG2 THR 20 HG21 THR 20 0.981 0.142 10.566 158 2HG2 THR 20 HG22 THR 20 2.230 1.328 11.016 159 3HG2 THR 20 HG23 THR 20 0.931 0.924 12.164 160 H LEU 21 HN LEU 21 -2.134 3.202 8.821 161 HA LEU 21 HA LEU 21 -3.841 1.143 8.869 162 1HB LEU 21 HB2 LEU 21 -4.147 3.715 8.539 163 2HB LEU 21 HB3 LEU 21 -4.237 3.309 6.837 164 HG LEU 21 HG LEU 21 -6.014 2.013 8.914 165 1HD1 LEU 21 HD11 LEU 21 -6.147 4.715 7.767 166 2HD1 LEU 21 HD12 LEU 21 -7.641 3.766 7.582 167 3HD1 LEU 21 HD13 LEU 21 -6.947 4.027 9.200 168 1HD2 LEU 21 HD21 LEU 21 -6.622 0.723 7.215 169 2HD2 LEU 21 HD22 LEU 21 -7.269 2.168 6.402 170 3HD2 LEU 21 HD23 LEU 21 -5.599 1.641 6.085 171 H LEU 22 HN LEU 22 -2.225 2.378 5.859 172 HA LEU 22 HA LEU 22 -3.255 0.272 4.280 173 1HB LEU 22 HB2 LEU 22 -1.494 1.098 2.661 174 2HB LEU 22 HB3 LEU 22 -2.749 2.223 3.142 175 HG LEU 22 HG LEU 22 -0.668 2.661 4.973 176 1HD1 LEU 22 HD11 LEU 22 1.320 2.367 4.019 177 2HD1 LEU 22 HD12 LEU 22 0.489 1.379 2.794 178 3HD1 LEU 22 HD13 LEU 22 0.783 3.108 2.492 179 1HD2 LEU 22 HD21 LEU 22 -0.633 4.845 4.089 180 2HD2 LEU 22 HD22 LEU 22 -1.159 4.294 2.480 181 3HD2 LEU 22 HD23 LEU 22 -2.296 4.260 3.849 182 H VAL 23 HN VAL 23 0.169 0.961 5.302 183 HA VAL 23 HA VAL 23 1.247 -1.419 4.567 184 HB VAL 23 HB VAL 23 2.609 0.374 5.284 185 1HG1 VAL 23 HG11 VAL 23 1.960 0.212 8.177 186 2HG1 VAL 23 HG12 VAL 23 2.366 1.619 7.164 187 3HG1 VAL 23 HG13 VAL 23 0.718 0.948 7.136 188 1HG2 VAL 23 HG21 VAL 23 3.563 -1.836 5.690 189 2HG2 VAL 23 HG22 VAL 23 4.097 -0.692 6.945 190 3HG2 VAL 23 HG23 VAL 23 2.823 -1.881 7.309 191 H GLN 24 HN GLN 24 -0.290 -0.619 7.757 192 HA GLN 24 HA GLN 24 0.102 -3.020 8.952 193 1HB GLN 24 HB2 GLN 24 -1.647 -2.395 10.471 194 2HB GLN 24 HB3 GLN 24 -0.895 -0.901 9.948 195 1HG GLN 24 HG2 GLN 24 -2.752 -0.213 8.752 196 2HG GLN 24 HG3 GLN 24 -3.171 -1.840 8.252 197 1HE2 GLN 24 HE21 GLN 24 -5.339 -1.246 8.777 198 2HE2 GLN 24 HE22 GLN 24 -5.923 -1.336 10.405 199 H THR 25 HN THR 25 -2.370 -2.070 6.536 200 HA THR 25 HA THR 25 -3.682 -4.651 6.755 201 HB THR 25 HB THR 25 -4.280 -1.946 5.790 202 HG1 THR 25 HG1 THR 25 -5.604 -3.099 7.283 203 1HG2 THR 25 HG21 THR 25 -4.818 -4.334 3.962 204 2HG2 THR 25 HG22 THR 25 -5.883 -2.908 3.985 205 3HG2 THR 25 HG23 THR 25 -4.176 -2.736 3.509 206 H ALA 26 HN ALA 26 -1.378 -2.926 4.649 207 HA ALA 26 HA ALA 26 -1.526 -4.957 2.627 208 1HB ALA 26 HB1 ALA 26 0.195 -2.511 3.128 209 2HB ALA 26 HB2 ALA 26 0.509 -3.626 1.777 210 3HB ALA 26 HB3 ALA 26 -1.042 -2.758 1.872 211 H SER 27 HN SER 27 0.323 -4.269 5.573 212 HA SER 27 HA SER 27 2.194 -6.362 4.869 213 1HB SER 27 HB2 SER 27 2.729 -3.994 5.972 214 2HB SER 27 HB3 SER 27 2.306 -4.817 7.461 215 HG SER 27 HG SER 27 4.347 -5.475 7.414 216 H LYS 28 HN LYS 28 -0.343 -7.394 5.176 217 HA LYS 28 HA LYS 28 0.010 -9.039 7.505 218 1HB LYS 28 HB2 LYS 28 -2.333 -8.589 8.322 219 2HB LYS 28 HB3 LYS 28 -1.164 -7.322 8.630 220 1HG LYS 28 HG2 LYS 28 -3.060 -6.155 7.799 221 2HG LYS 28 HG3 LYS 28 -1.980 -6.234 6.421 222 1HD LYS 28 HD2 LYS 28 -4.172 -6.854 5.619 223 2HD LYS 28 HD3 LYS 28 -3.216 -8.322 5.653 224 1HE LYS 28 HE2 LYS 28 -4.518 -7.911 8.240 225 2HE LYS 28 HE3 LYS 28 -5.706 -7.862 6.952 226 1HZ LYS 28 HZ1 LYS 28 -4.401 -9.939 6.161 227 2HZ LYS 28 HZ2 LYS 28 -3.955 -10.040 7.729 228 3HZ LYS 28 HZ3 LYS 28 -5.538 -10.074 7.326 229 H PHE 29 HN PHE 29 -0.001 -9.106 4.471 230 HA PHE 29 HA PHE 29 -2.165 -11.074 4.202 231 1HB PHE 29 HB2 PHE 29 -0.785 -9.249 2.142 232 2HB PHE 29 HB3 PHE 29 -2.050 -10.396 1.749 233 HD1 PHE 29 HD1 PHE 29 -1.776 -7.205 1.582 234 HD2 PHE 29 HD2 PHE 29 -3.894 -9.917 4.064 235 HE1 PHE 29 HE1 PHE 29 -3.510 -5.445 2.024 236 HE2 PHE 29 HE2 PHE 29 -5.628 -8.158 4.507 237 HZ PHE 29 HZ PHE 29 -5.415 -5.943 3.482 238 H ASN 30 HN ASN 30 -1.620 -13.118 3.481 239 HA ASN 30 HA ASN 30 1.052 -13.849 3.635 240 1HB ASN 30 HB2 ASN 30 -1.492 -15.200 2.665 241 2HB ASN 30 HB3 ASN 30 0.045 -16.006 2.420 242 1HD2 ASN 30 HD21 ASN 30 -2.361 -16.482 4.173 243 2HD2 ASN 30 HD22 ASN 30 -1.736 -16.728 5.770 244 H SER 31 HN SER 31 -0.599 -12.134 1.241 245 HA SER 31 HA SER 31 0.790 -13.385 -0.961 246 1HB SER 31 HB2 SER 31 -1.611 -11.724 -0.633 247 2HB SER 31 HB3 SER 31 -0.588 -11.125 -1.923 248 HG SER 31 HG SER 31 -1.871 -13.681 -1.673 249 H ASP 32 HN ASP 32 1.538 -11.468 -2.672 250 HA ASP 32 HA ASP 32 3.490 -10.005 -1.127 251 1HB ASP 32 HB2 ASP 32 3.197 -10.836 -4.020 252 2HB ASP 32 HB3 ASP 32 4.242 -9.481 -3.643 253 H ILE 33 HN ILE 33 2.128 -8.235 -0.361 254 HA ILE 33 HA ILE 33 1.033 -6.548 -2.501 255 HB ILE 33 HB ILE 33 -0.569 -7.531 -0.863 256 1HG1 ILE 33 HG12 ILE 33 -0.670 -5.194 -2.125 257 2HG1 ILE 33 HG13 ILE 33 -1.930 -5.719 -1.025 258 1HG2 ILE 33 HG21 ILE 33 -0.373 -5.873 1.337 259 2HG2 ILE 33 HG22 ILE 33 0.077 -7.594 1.271 260 3HG2 ILE 33 HG23 ILE 33 1.317 -6.340 1.026 261 1HD1 ILE 33 HD11 ILE 33 0.420 -4.221 0.130 262 2HD1 ILE 33 HD12 ILE 33 -0.812 -3.309 -0.775 263 3HD1 ILE 33 HD13 ILE 33 -1.277 -4.246 0.665 264 H ASN 34 HN ASN 34 1.961 -4.595 -2.860 265 HA ASN 34 HA ASN 34 3.510 -3.474 -0.682 266 1HB ASN 34 HB2 ASN 34 4.511 -3.667 -3.572 267 2HB ASN 34 HB3 ASN 34 5.372 -2.919 -2.241 268 1HD2 ASN 34 HD21 ASN 34 6.498 -4.904 -3.749 269 2HD2 ASN 34 HD22 ASN 34 6.707 -6.348 -2.815 270 H LEU 35 HN LEU 35 4.305 -1.098 -1.606 271 HA LEU 35 HA LEU 35 1.999 0.017 -3.046 272 1HB LEU 35 HB2 LEU 35 1.671 1.535 -1.471 273 2HB LEU 35 HB3 LEU 35 2.609 0.476 -0.437 274 HG LEU 35 HG LEU 35 4.651 1.775 -0.969 275 1HD1 LEU 35 HD11 LEU 35 4.630 2.923 -2.886 276 2HD1 LEU 35 HD12 LEU 35 2.853 3.019 -2.923 277 3HD1 LEU 35 HD13 LEU 35 3.787 4.188 -1.960 278 1HD2 LEU 35 HD21 LEU 35 2.382 2.634 0.588 279 2HD2 LEU 35 HD22 LEU 35 4.122 2.787 0.933 280 3HD2 LEU 35 HD23 LEU 35 3.288 4.044 -0.012 281 H GLU 36 HN GLU 36 2.424 1.634 -4.612 282 HA GLU 36 HA GLU 36 5.259 2.023 -5.153 283 1HB GLU 36 HB2 GLU 36 4.538 0.340 -6.738 284 2HB GLU 36 HB3 GLU 36 3.082 1.234 -7.130 285 1HG GLU 36 HG2 GLU 36 5.768 2.563 -7.552 286 2HG GLU 36 HG3 GLU 36 5.226 1.366 -8.712 287 H TYR 37 HN TYR 37 5.665 4.178 -4.929 288 HA TYR 37 HA TYR 37 3.523 6.024 -5.744 289 1HB TYR 37 HB2 TYR 37 4.143 6.038 -3.317 290 2HB TYR 37 HB3 TYR 37 5.845 6.121 -3.723 291 HD1 TYR 37 HD1 TYR 37 5.803 8.084 -2.083 292 HD2 TYR 37 HD2 TYR 37 3.772 8.157 -5.848 293 HE1 TYR 37 HE1 TYR 37 5.699 10.623 -1.987 294 HE2 TYR 37 HE2 TYR 37 3.675 10.695 -5.739 295 HH TYR 37 HH TYR 37 3.769 12.433 -4.196 296 H LYS 38 HN LYS 38 3.918 7.299 -7.484 297 HA LYS 38 HA LYS 38 4.983 8.323 -9.123 298 1HB LYS 38 HB2 LYS 38 6.878 9.627 -8.630 299 2HB LYS 38 HB3 LYS 38 5.989 9.517 -7.124 300 1HG LYS 38 HG2 LYS 38 7.604 8.224 -6.095 301 2HG LYS 38 HG3 LYS 38 7.994 7.346 -7.561 302 1HD LYS 38 HD2 LYS 38 8.874 10.186 -6.864 303 2HD LYS 38 HD3 LYS 38 9.898 8.765 -6.913 304 1HE LYS 38 HE2 LYS 38 8.606 8.859 -9.453 305 2HE LYS 38 HE3 LYS 38 9.077 10.511 -9.106 306 1HZ LYS 38 HZ1 LYS 38 10.710 8.303 -9.741 307 2HZ LYS 38 HZ2 LYS 38 11.086 9.892 -9.724 308 3HZ LYS 38 HZ3 LYS 38 11.211 9.009 -8.357 309 H GLY 39 HN GLY 39 5.277 5.280 -8.482 310 1HA GLY 39 HA1 GLY 39 5.941 3.768 -10.173 311 2HA GLY 39 HA2 GLY 39 7.287 4.813 -10.584 312 H LYS 40 HN LYS 40 6.799 4.629 -7.169 313 HA LYS 40 HA LYS 40 9.080 2.806 -6.990 314 1HB LYS 40 HB2 LYS 40 8.620 5.312 -5.872 315 2HB LYS 40 HB3 LYS 40 8.297 4.213 -4.547 316 1HG LYS 40 HG2 LYS 40 10.727 3.592 -6.184 317 2HG LYS 40 HG3 LYS 40 10.807 5.061 -5.231 318 1HD LYS 40 HD2 LYS 40 10.137 2.279 -4.159 319 2HD LYS 40 HD3 LYS 40 11.665 3.110 -3.951 320 1HE LYS 40 HE2 LYS 40 8.995 4.214 -2.956 321 2HE LYS 40 HE3 LYS 40 10.087 3.275 -1.957 322 1HZ LYS 40 HZ1 LYS 40 11.738 5.097 -2.905 323 2HZ LYS 40 HZ2 LYS 40 10.360 5.974 -2.903 324 3HZ LYS 40 HZ3 LYS 40 10.897 5.295 -1.518 325 H SER 41 HN SER 41 8.184 0.755 -7.068 326 HA SER 41 HA SER 41 5.950 0.274 -5.290 327 1HB SER 41 HB2 SER 41 5.415 -1.561 -6.620 328 2HB SER 41 HB3 SER 41 6.161 -0.508 -7.806 329 HG SER 41 HG SER 41 8.238 -1.701 -7.207 330 H VAL 42 HN VAL 42 6.570 -0.208 -3.207 331 HA VAL 42 HA VAL 42 8.501 -2.349 -2.871 332 HB VAL 42 HB VAL 42 10.014 -1.200 -1.602 333 1HG1 VAL 42 HG11 VAL 42 10.218 -0.384 -3.874 334 2HG1 VAL 42 HG12 VAL 42 8.992 0.871 -3.574 335 3HG1 VAL 42 HG13 VAL 42 10.564 0.946 -2.743 336 1HG2 VAL 42 HG21 VAL 42 8.207 1.192 -1.211 337 2HG2 VAL 42 HG22 VAL 42 8.144 -0.224 -0.134 338 3HG2 VAL 42 HG23 VAL 42 9.649 0.716 -0.282 339 H ASN 43 HN ASN 43 8.122 -3.578 -0.989 340 HA ASN 43 HA ASN 43 5.647 -3.899 -0.146 341 1HB ASN 43 HB2 ASN 43 7.861 -4.046 1.933 342 2HB ASN 43 HB3 ASN 43 6.529 -5.158 1.685 343 1HD2 ASN 43 HD21 ASN 43 6.687 -6.803 0.267 344 2HD2 ASN 43 HD22 ASN 43 8.107 -7.204 -0.640 345 H LEU 44 HN LEU 44 4.514 -1.846 0.135 346 HA LEU 44 HA LEU 44 4.962 0.402 1.229 347 1HB LEU 44 HB2 LEU 44 2.766 -0.561 2.791 348 2HB LEU 44 HB3 LEU 44 2.773 0.528 1.418 349 HG LEU 44 HG LEU 44 2.764 -1.469 -0.100 350 1HD1 LEU 44 HD11 LEU 44 2.180 -3.655 0.792 351 2HD1 LEU 44 HD12 LEU 44 3.724 -3.092 1.475 352 3HD1 LEU 44 HD13 LEU 44 2.238 -3.017 2.452 353 1HD2 LEU 44 HD21 LEU 44 0.707 -0.350 0.193 354 2HD2 LEU 44 HD22 LEU 44 0.353 -2.080 0.415 355 3HD2 LEU 44 HD23 LEU 44 0.486 -1.010 1.831 356 H LYS 45 HN LYS 45 5.025 -2.613 3.178 357 HA LYS 45 HA LYS 45 5.444 -1.309 5.639 358 1HB LYS 45 HB2 LYS 45 6.161 -3.586 6.387 359 2HB LYS 45 HB3 LYS 45 4.581 -3.529 5.633 360 1HG LYS 45 HG2 LYS 45 6.697 -3.970 3.641 361 2HG LYS 45 HG3 LYS 45 6.741 -5.193 4.896 362 1HD LYS 45 HD2 LYS 45 3.989 -4.887 4.314 363 2HD LYS 45 HD3 LYS 45 4.773 -4.806 2.749 364 1HE LYS 45 HE2 LYS 45 6.088 -6.923 4.111 365 2HE LYS 45 HE3 LYS 45 4.392 -7.121 4.504 366 1HZ LYS 45 HZ1 LYS 45 4.358 -8.110 2.524 367 2HZ LYS 45 HZ2 LYS 45 4.266 -6.599 1.911 368 3HZ LYS 45 HZ3 LYS 45 5.704 -7.370 1.969 369 H SER 46 HN SER 46 7.282 -1.130 2.911 370 HA SER 46 HA SER 46 9.818 -1.518 4.190 371 1HB SER 46 HB2 SER 46 9.310 -2.073 1.745 372 2HB SER 46 HB3 SER 46 9.248 -0.350 1.434 373 HG SER 46 HG SER 46 11.489 -1.985 2.148 374 H ILE 47 HN ILE 47 9.096 0.193 5.887 375 HA ILE 47 HA ILE 47 8.600 2.785 5.457 376 HB ILE 47 HB ILE 47 9.255 1.268 7.592 377 1HG1 ILE 47 HG12 ILE 47 8.831 3.241 8.939 378 2HG1 ILE 47 HG13 ILE 47 9.212 4.299 7.595 379 1HG2 ILE 47 HG21 ILE 47 11.689 1.569 7.087 380 2HG2 ILE 47 HG22 ILE 47 11.488 3.305 7.427 381 3HG2 ILE 47 HG23 ILE 47 11.192 2.106 8.710 382 1HD1 ILE 47 HD11 ILE 47 6.674 3.359 8.232 383 2HD1 ILE 47 HD12 ILE 47 7.151 4.043 6.659 384 3HD1 ILE 47 HD13 ILE 47 7.167 2.280 6.904 385 H MET 48 HN MET 48 11.822 1.181 5.195 386 HA MET 48 HA MET 48 13.392 3.338 4.880 387 1HB MET 48 HB2 MET 48 14.255 1.033 4.881 388 2HB MET 48 HB3 MET 48 13.386 0.650 3.408 389 1HG MET 48 HG2 MET 48 14.836 2.740 2.468 390 2HG MET 48 HG3 MET 48 15.910 2.254 3.764 391 1HE MET 48 HE1 MET 48 13.480 -0.113 1.609 392 2HE MET 48 HE2 MET 48 13.998 1.270 0.616 393 3HE MET 48 HE3 MET 48 14.572 -0.369 0.226 394 H GLY 49 HN GLY 49 12.397 1.473 1.934 395 1HA GLY 49 HA1 GLY 49 12.887 3.476 0.106 396 2HA GLY 49 HA2 GLY 49 11.764 2.148 -0.114 397 H VAL 50 HN VAL 50 9.857 2.734 1.947 398 HA VAL 50 HA VAL 50 8.267 4.608 0.604 399 HB VAL 50 HB VAL 50 8.108 2.800 2.863 400 1HG1 VAL 50 HG11 VAL 50 6.845 5.535 3.155 401 2HG1 VAL 50 HG12 VAL 50 6.195 4.090 3.967 402 3HG1 VAL 50 HG13 VAL 50 7.849 4.643 4.323 403 1HG2 VAL 50 HG21 VAL 50 5.764 2.629 2.126 404 2HG2 VAL 50 HG22 VAL 50 6.005 4.021 1.042 405 3HG2 VAL 50 HG23 VAL 50 6.895 2.506 0.756 406 H MET 51 HN MET 51 9.916 4.787 3.843 407 HA MET 51 HA MET 51 9.281 7.223 4.611 408 1HB MET 51 HB2 MET 51 11.920 5.713 4.640 409 2HB MET 51 HB3 MET 51 11.874 7.329 5.317 410 1HG MET 51 HG2 MET 51 9.626 5.605 6.216 411 2HG MET 51 HG3 MET 51 11.202 5.000 6.686 412 1HE MET 51 HE1 MET 51 9.954 8.408 5.834 413 2HE MET 51 HE2 MET 51 10.115 9.391 7.309 414 3HE MET 51 HE3 MET 51 11.562 8.946 6.374 415 H SER 52 HN SER 52 12.113 6.579 2.411 416 HA SER 52 HA SER 52 12.751 9.199 1.988 417 1HB SER 52 HB2 SER 52 13.865 8.377 -0.099 418 2HB SER 52 HB3 SER 52 14.222 7.386 1.301 419 HG SER 52 HG SER 52 12.138 6.774 -0.616 420 H LEU 53 HN LEU 53 10.148 7.202 0.632 421 HA LEU 53 HA LEU 53 9.533 9.256 -1.341 422 1HB LEU 53 HB2 LEU 53 9.386 6.462 -1.314 423 2HB LEU 53 HB3 LEU 53 7.720 7.000 -1.231 424 HG LEU 53 HG LEU 53 9.748 7.745 -3.356 425 1HD1 LEU 53 HD11 LEU 53 7.693 5.646 -3.122 426 2HD1 LEU 53 HD12 LEU 53 7.649 6.571 -4.642 427 3HD1 LEU 53 HD13 LEU 53 9.143 5.736 -4.152 428 1HD2 LEU 53 HD21 LEU 53 7.402 9.151 -2.511 429 2HD2 LEU 53 HD22 LEU 53 8.524 9.527 -3.841 430 3HD2 LEU 53 HD23 LEU 53 7.119 8.473 -4.132 431 H GLY 54 HN GLY 54 7.179 7.230 0.447 432 1HA GLY 54 HA1 GLY 54 5.404 7.777 1.711 433 2HA GLY 54 HA2 GLY 54 6.345 9.120 2.327 434 H VAL 55 HN VAL 55 3.410 8.611 1.199 435 HA VAL 55 HA VAL 55 3.420 10.924 -0.611 436 HB VAL 55 HB VAL 55 0.958 9.694 -0.831 437 1HG1 VAL 55 HG11 VAL 55 2.967 10.512 -2.489 438 2HG1 VAL 55 HG12 VAL 55 3.010 8.750 -2.738 439 3HG1 VAL 55 HG13 VAL 55 1.502 9.652 -3.022 440 1HG2 VAL 55 HG21 VAL 55 1.970 7.784 0.513 441 2HG2 VAL 55 HG22 VAL 55 1.254 7.350 -1.058 442 3HG2 VAL 55 HG23 VAL 55 3.022 7.479 -0.891 443 H GLY 56 HN GLY 56 0.852 11.797 -0.465 444 1HA GLY 56 HA1 GLY 56 -0.525 11.882 1.872 445 2HA GLY 56 HA2 GLY 56 0.788 13.009 2.148 446 H GLN 57 HN GLN 57 0.978 14.943 0.842 447 HA GLN 57 HA GLN 57 -1.288 16.257 0.352 448 1HB GLN 57 HB2 GLN 57 0.022 17.897 -0.749 449 2HB GLN 57 HB3 GLN 57 1.158 17.085 0.309 450 1HG GLN 57 HG2 GLN 57 1.532 15.511 -1.825 451 2HG GLN 57 HG3 GLN 57 0.889 16.889 -2.695 452 1HE2 GLN 57 HE21 GLN 57 3.543 15.753 -2.770 453 2HE2 GLN 57 HE22 GLN 57 4.666 16.989 -2.311 454 H GLY 58 HN GLY 58 -2.942 15.050 -0.675 455 1HA GLY 58 HA1 GLY 58 -3.975 13.905 -2.352 456 2HA GLY 58 HA2 GLY 58 -3.512 15.335 -3.254 457 H SER 59 HN SER 59 -0.839 13.448 -2.034 458 HA SER 59 HA SER 59 0.253 13.051 -4.494 459 1HB SER 59 HB2 SER 59 0.672 11.238 -2.081 460 2HB SER 59 HB3 SER 59 1.806 11.523 -3.385 461 HG SER 59 HG SER 59 0.910 13.425 -1.396 462 H ASP 60 HN ASP 60 0.870 10.668 -5.331 463 HA ASP 60 HA ASP 60 -1.541 9.045 -5.201 464 1HB ASP 60 HB2 ASP 60 -1.482 8.665 -7.592 465 2HB ASP 60 HB3 ASP 60 -1.440 10.398 -7.336 466 H VAL 61 HN VAL 61 -1.100 6.725 -5.442 467 HA VAL 61 HA VAL 61 1.656 5.934 -5.851 468 HB VAL 61 HB VAL 61 1.675 4.609 -3.767 469 1HG1 VAL 61 HG11 VAL 61 2.476 6.338 -2.423 470 2HG1 VAL 61 HG12 VAL 61 2.602 7.020 -4.062 471 3HG1 VAL 61 HG13 VAL 61 1.253 7.494 -3.002 472 1HG2 VAL 61 HG21 VAL 61 0.086 4.973 -2.004 473 2HG2 VAL 61 HG22 VAL 61 -0.734 6.253 -2.930 474 3HG2 VAL 61 HG23 VAL 61 -0.822 4.562 -3.479 475 H THR 62 HN THR 62 1.659 3.331 -5.557 476 HA THR 62 HA THR 62 -0.877 2.285 -6.587 477 HB THR 62 HB THR 62 1.794 2.459 -7.972 478 HG1 THR 62 HG1 THR 62 0.059 3.619 -8.872 479 1HG2 THR 62 HG21 THR 62 0.877 0.528 -9.466 480 2HG2 THR 62 HG22 THR 62 1.673 0.055 -7.946 481 3HG2 THR 62 HG23 THR 62 -0.104 0.070 -8.054 482 H ILE 63 HN ILE 63 -1.429 0.294 -5.838 483 HA ILE 63 HA ILE 63 0.536 -0.910 -4.024 484 HB ILE 63 HB ILE 63 -2.128 -0.125 -3.644 485 1HG1 ILE 63 HG12 ILE 63 -1.481 -1.713 -1.477 486 2HG1 ILE 63 HG13 ILE 63 0.094 -1.297 -2.122 487 1HG2 ILE 63 HG21 ILE 63 -2.003 -3.113 -3.297 488 2HG2 ILE 63 HG22 ILE 63 -3.414 -2.028 -3.267 489 3HG2 ILE 63 HG23 ILE 63 -2.595 -2.380 -4.808 490 1HD1 ILE 63 HD11 ILE 63 -1.987 0.879 -1.848 491 2HD1 ILE 63 HD12 ILE 63 -1.103 0.326 -0.406 492 3HD1 ILE 63 HD13 ILE 63 -0.212 1.006 -1.789 493 H THR 64 HN THR 64 0.621 -3.297 -3.951 494 HA THR 64 HA THR 64 -0.378 -4.576 -6.389 495 HB THR 64 HB THR 64 2.462 -5.106 -5.498 496 HG1 THR 64 HG1 THR 64 1.495 -2.929 -7.212 497 1HG2 THR 64 HG21 THR 64 0.807 -5.743 -7.760 498 2HG2 THR 64 HG22 THR 64 2.039 -4.587 -8.324 499 3HG2 THR 64 HG23 THR 64 2.536 -6.110 -7.547 500 H VAL 65 HN VAL 65 -0.670 -6.847 -6.236 501 HA VAL 65 HA VAL 65 -0.228 -7.988 -3.594 502 HB VAL 65 HB VAL 65 -2.623 -6.867 -4.122 503 1HG1 VAL 65 HG11 VAL 65 -3.315 -8.171 -5.956 504 2HG1 VAL 65 HG12 VAL 65 -2.728 -9.681 -5.220 505 3HG1 VAL 65 HG13 VAL 65 -4.171 -8.873 -4.562 506 1HG2 VAL 65 HG21 VAL 65 -3.432 -8.906 -2.526 507 2HG2 VAL 65 HG22 VAL 65 -1.666 -9.051 -2.360 508 3HG2 VAL 65 HG23 VAL 65 -2.475 -7.517 -1.958 509 H ASP 66 HN ASP 66 0.841 -9.864 -3.915 510 HA ASP 66 HA ASP 66 0.007 -11.450 -6.196 511 1HB ASP 66 HB2 ASP 66 2.849 -11.791 -5.742 512 2HB ASP 66 HB3 ASP 66 2.029 -11.324 -7.218 513 H GLY 67 HN GLY 67 -0.474 -13.512 -5.422 514 1HA GLY 67 HA1 GLY 67 0.862 -15.337 -4.157 515 2HA GLY 67 HA2 GLY 67 0.592 -14.274 -2.791 516 H ALA 68 HN ALA 68 -0.954 -15.256 -1.536 517 HA ALA 68 HA ALA 68 -3.214 -16.506 -2.886 518 1HB ALA 68 HB1 ALA 68 -3.545 -17.686 -0.874 519 2HB ALA 68 HB2 ALA 68 -1.773 -17.559 -0.993 520 3HB ALA 68 HB3 ALA 68 -2.673 -16.472 0.092 521 H ASP 69 HN ASP 69 -2.638 -14.275 -0.066 522 HA ASP 69 HA ASP 69 -5.112 -13.470 0.396 523 1HB ASP 69 HB2 ASP 69 -2.506 -12.483 0.904 524 2HB ASP 69 HB3 ASP 69 -3.358 -11.118 0.210 525 H GLU 70 HN GLU 70 -2.875 -12.183 -2.164 526 HA GLU 70 HA GLU 70 -3.324 -10.479 -3.599 527 1HB GLU 70 HB2 GLU 70 -5.277 -12.318 -4.906 528 2HB GLU 70 HB3 GLU 70 -3.815 -11.599 -5.552 529 1HG GLU 70 HG2 GLU 70 -2.470 -13.333 -4.830 530 2HG GLU 70 HG3 GLU 70 -3.379 -13.571 -3.352 531 H ALA 71 HN ALA 71 -6.565 -12.029 -3.869 532 HA ALA 71 HA ALA 71 -7.948 -9.683 -4.181 533 1HB ALA 71 HB1 ALA 71 -8.813 -12.361 -3.021 534 2HB ALA 71 HB2 ALA 71 -9.935 -11.075 -3.526 535 3HB ALA 71 HB3 ALA 71 -8.880 -11.858 -4.727 536 H GLU 72 HN GLU 72 -8.013 -11.694 -1.149 537 HA GLU 72 HA GLU 72 -9.170 -9.812 0.413 538 1HB GLU 72 HB2 GLU 72 -7.115 -11.356 1.855 539 2HB GLU 72 HB3 GLU 72 -8.855 -11.350 2.061 540 1HG GLU 72 HG2 GLU 72 -8.988 -12.733 -0.117 541 2HG GLU 72 HG3 GLU 72 -7.249 -12.914 -0.005 542 H GLY 73 HN GLY 73 -5.635 -10.350 -0.171 543 1HA GLY 73 HA1 GLY 73 -4.531 -8.549 1.554 544 2HA GLY 73 HA2 GLY 73 -3.898 -8.921 -0.037 545 H MET 74 HN MET 74 -4.776 -7.675 -1.938 546 HA MET 74 HA MET 74 -4.635 -4.982 -1.461 547 1HB MET 74 HB2 MET 74 -5.660 -4.873 -3.857 548 2HB MET 74 HB3 MET 74 -4.187 -5.805 -3.681 549 1HG MET 74 HG2 MET 74 -5.234 -7.709 -4.348 550 2HG MET 74 HG3 MET 74 -6.471 -7.521 -3.121 551 1HE MET 74 HE1 MET 74 -8.761 -5.390 -3.883 552 2HE MET 74 HE2 MET 74 -9.474 -6.741 -4.797 553 3HE MET 74 HE3 MET 74 -8.520 -7.065 -3.329 554 H ALA 75 HN ALA 75 -7.434 -7.182 -1.473 555 HA ALA 75 HA ALA 75 -9.519 -5.490 -1.876 556 1HB ALA 75 HB1 ALA 75 -9.052 -7.924 -0.174 557 2HB ALA 75 HB2 ALA 75 -10.590 -7.044 -0.003 558 3HB ALA 75 HB3 ALA 75 -10.116 -7.710 -1.584 559 H ALA 76 HN ALA 76 -7.876 -6.156 1.301 560 HA ALA 76 HA ALA 76 -9.358 -4.269 2.729 561 1HB ALA 76 HB1 ALA 76 -6.711 -4.577 3.813 562 2HB ALA 76 HB2 ALA 76 -8.237 -5.297 4.380 563 3HB ALA 76 HB3 ALA 76 -7.250 -6.146 3.166 564 H ILE 77 HN ILE 77 -6.033 -4.072 1.272 565 HA ILE 77 HA ILE 77 -5.448 -1.504 1.957 566 HB ILE 77 HB ILE 77 -4.590 -3.447 -0.020 567 1HG1 ILE 77 HG12 ILE 77 -3.257 -3.110 1.895 568 2HG1 ILE 77 HG13 ILE 77 -2.364 -2.399 0.565 569 1HG2 ILE 77 HG21 ILE 77 -3.330 -1.611 -1.344 570 2HG2 ILE 77 HG22 ILE 77 -5.019 -1.982 -1.767 571 3HG2 ILE 77 HG23 ILE 77 -4.642 -0.541 -0.792 572 1HD1 ILE 77 HD11 ILE 77 -3.695 -0.187 1.286 573 2HD1 ILE 77 HD12 ILE 77 -3.786 -1.041 2.845 574 3HD1 ILE 77 HD13 ILE 77 -2.201 -0.677 2.120 575 H VAL 78 HN VAL 78 -7.080 -2.565 -1.115 576 HA VAL 78 HA VAL 78 -7.575 -0.089 -2.144 577 HB VAL 78 HB VAL 78 -9.504 -2.408 -2.245 578 1HG1 VAL 78 HG11 VAL 78 -10.488 -1.324 -3.935 579 2HG1 VAL 78 HG12 VAL 78 -9.524 0.102 -3.478 580 3HG1 VAL 78 HG13 VAL 78 -8.928 -1.010 -4.733 581 1HG2 VAL 78 HG21 VAL 78 -7.687 -2.527 -4.427 582 2HG2 VAL 78 HG22 VAL 78 -6.718 -2.409 -2.938 583 3HG2 VAL 78 HG23 VAL 78 -7.920 -3.710 -3.117 584 H GLU 79 HN GLU 79 -9.874 -2.023 -0.088 585 HA GLU 79 HA GLU 79 -11.739 -0.052 0.163 586 1HB GLU 79 HB2 GLU 79 -11.069 -2.575 1.507 587 2HB GLU 79 HB3 GLU 79 -11.787 -1.427 2.620 588 1HG GLU 79 HG2 GLU 79 -13.229 -1.370 0.085 589 2HG GLU 79 HG3 GLU 79 -13.125 -3.019 0.668 590 H THR 80 HN THR 80 -8.705 -0.599 1.997 591 HA THR 80 HA THR 80 -9.261 1.358 3.984 592 HB THR 80 HB THR 80 -7.239 -0.621 3.306 593 HG1 THR 80 HG1 THR 80 -7.346 -0.606 5.550 594 1HG2 THR 80 HG21 THR 80 -5.273 0.600 4.223 595 2HG2 THR 80 HG22 THR 80 -5.806 1.354 2.701 596 3HG2 THR 80 HG23 THR 80 -6.219 2.107 4.260 597 H LEU 81 HN LEU 81 -7.067 1.384 1.091 598 HA LEU 81 HA LEU 81 -6.097 3.861 1.226 599 1HB LEU 81 HB2 LEU 81 -7.041 2.193 -1.067 600 2HB LEU 81 HB3 LEU 81 -6.508 3.834 -1.375 601 HG LEU 81 HG LEU 81 -4.877 1.714 -1.464 602 1HD1 LEU 81 HD11 LEU 81 -3.006 3.244 -1.292 603 2HD1 LEU 81 HD12 LEU 81 -4.359 4.030 -2.139 604 3HD1 LEU 81 HD13 LEU 81 -4.019 4.434 -0.440 605 1HD2 LEU 81 HD21 LEU 81 -5.161 1.069 0.856 606 2HD2 LEU 81 HD22 LEU 81 -3.490 1.613 0.571 607 3HD2 LEU 81 HD23 LEU 81 -4.646 2.684 1.398 608 H GLN 82 HN GLN 82 -9.449 2.978 0.248 609 HA GLN 82 HA GLN 82 -10.040 5.800 0.024 610 1HB GLN 82 HB2 GLN 82 -12.335 4.848 -0.730 611 2HB GLN 82 HB3 GLN 82 -10.965 4.622 -1.799 612 1HG GLN 82 HG2 GLN 82 -10.908 2.341 -1.476 613 2HG GLN 82 HG3 GLN 82 -11.313 2.462 0.224 614 1HE2 GLN 82 HE21 GLN 82 -13.546 3.092 0.765 615 2HE2 GLN 82 HE22 GLN 82 -14.849 2.491 -0.206 616 H LYS 83 HN LYS 83 -10.216 3.158 2.262 617 HA LYS 83 HA LYS 83 -12.536 4.028 3.658 618 1HB LYS 83 HB2 LYS 83 -12.335 1.992 4.521 619 2HB LYS 83 HB3 LYS 83 -10.833 1.771 3.646 620 1HG LYS 83 HG2 LYS 83 -9.529 2.694 5.495 621 2HG LYS 83 HG3 LYS 83 -10.980 3.204 6.336 622 1HD LYS 83 HD2 LYS 83 -9.753 0.922 6.985 623 2HD LYS 83 HD3 LYS 83 -11.499 1.054 7.057 624 1HE LYS 83 HE2 LYS 83 -11.548 0.184 4.630 625 2HE LYS 83 HE3 LYS 83 -9.840 -0.166 4.805 626 1HZ LYS 83 HZ1 LYS 83 -11.109 -1.192 7.025 627 2HZ LYS 83 HZ2 LYS 83 -12.006 -1.645 5.737 628 3HZ LYS 83 HZ3 LYS 83 -10.418 -2.023 5.800 629 H GLU 84 HN GLU 84 -9.058 4.767 3.719 630 HA GLU 84 HA GLU 84 -9.540 6.412 6.069 631 1HB GLU 84 HB2 GLU 84 -6.782 6.461 5.475 632 2HB GLU 84 HB3 GLU 84 -7.568 5.557 6.755 633 1HG GLU 84 HG2 GLU 84 -6.511 3.819 5.612 634 2HG GLU 84 HG3 GLU 84 -8.077 3.801 4.824 635 H GLY 85 HN GLY 85 -10.204 6.880 3.056 636 1HA GLY 85 HA1 GLY 85 -10.082 8.545 1.541 637 2HA GLY 85 HA2 GLY 85 -9.989 9.594 2.942 638 H LEU 86 HN LEU 86 -7.415 7.233 2.603 639 HA LEU 86 HA LEU 86 -5.576 9.413 2.049 640 1HB LEU 86 HB2 LEU 86 -5.407 7.624 3.928 641 2HB LEU 86 HB3 LEU 86 -4.808 6.577 2.656 642 HG LEU 86 HG LEU 86 -3.217 8.737 2.258 643 1HD1 LEU 86 HD11 LEU 86 -2.506 9.094 4.847 644 2HD1 LEU 86 HD12 LEU 86 -3.569 10.195 3.937 645 3HD1 LEU 86 HD13 LEU 86 -4.274 8.962 5.010 646 1HD2 LEU 86 HD21 LEU 86 -2.012 6.834 2.370 647 2HD2 LEU 86 HD22 LEU 86 -1.692 7.385 4.032 648 3HD2 LEU 86 HD23 LEU 86 -2.963 6.177 3.724 649 H ALA 87 HN ALA 87 -7.500 7.462 0.223 650 HA ALA 87 HA ALA 87 -6.041 7.919 -2.120 651 1HB ALA 87 HB1 ALA 87 -5.896 5.226 -2.451 652 2HB ALA 87 HB2 ALA 87 -4.537 6.217 -1.870 653 3HB ALA 87 HB3 ALA 87 -5.561 5.341 -0.707 654 H GLU 88 HN GLU 88 -7.244 7.137 -4.031 655 HA GLU 88 HA GLU 88 -9.967 7.360 -3.632 656 1HB GLU 88 HB2 GLU 88 -8.564 6.134 -6.046 657 2HB GLU 88 HB3 GLU 88 -10.162 6.853 -6.026 658 1HG GLU 88 HG2 GLU 88 -8.832 8.977 -5.062 659 2HG GLU 88 HG3 GLU 88 -7.468 8.207 -5.850 660 H GLN 89 HN GLN 89 -11.347 5.454 -5.058 661 HA GLN 89 HA GLN 89 -11.692 3.467 -3.216 662 1HB GLN 89 HB2 GLN 89 -13.044 2.338 -5.001 663 2HB GLN 89 HB3 GLN 89 -13.423 4.040 -4.825 664 1HG GLN 89 HG2 GLN 89 -11.535 4.325 -6.706 665 2HG GLN 89 HG3 GLN 89 -11.922 2.650 -7.049 666 1HE2 GLN 89 HE21 GLN 89 -12.872 5.918 -7.301 667 2HE2 GLN 89 HE22 GLN 89 -14.380 5.712 -8.127 Start of MODEL 11 1 H MET 1 HN MET 1 -2.104 -10.759 -6.775 2 HA MET 1 HA MET 1 -1.020 -12.682 -8.675 3 1HB MET 1 HB2 MET 1 -3.979 -11.980 -8.248 4 2HB MET 1 HB3 MET 1 -3.377 -13.073 -9.478 5 1HG MET 1 HG2 MET 1 -2.416 -14.540 -7.654 6 2HG MET 1 HG3 MET 1 -3.120 -13.472 -6.457 7 1HE MET 1 HE1 MET 1 -3.622 -16.154 -9.107 8 2HE MET 1 HE2 MET 1 -3.608 -16.772 -7.437 9 3HE MET 1 HE3 MET 1 -5.074 -16.935 -8.434 10 H GLU 2 HN GLU 2 -2.305 -9.503 -7.902 11 HA GLU 2 HA GLU 2 -1.411 -8.601 -10.477 12 1HB GLU 2 HB2 GLU 2 -4.215 -7.850 -9.564 13 2HB GLU 2 HB3 GLU 2 -3.464 -7.498 -11.108 14 1HG GLU 2 HG2 GLU 2 -3.399 -9.921 -11.658 15 2HG GLU 2 HG3 GLU 2 -4.079 -10.313 -10.091 16 H LYS 3 HN LYS 3 -2.086 -5.959 -10.438 17 HA LYS 3 HA LYS 3 -1.266 -5.057 -7.766 18 1HB LYS 3 HB2 LYS 3 0.550 -4.045 -8.571 19 2HB LYS 3 HB3 LYS 3 0.330 -5.002 -10.022 20 1HG LYS 3 HG2 LYS 3 -1.337 -3.078 -10.740 21 2HG LYS 3 HG3 LYS 3 -0.525 -2.137 -9.505 22 1HD LYS 3 HD2 LYS 3 0.596 -1.729 -11.632 23 2HD LYS 3 HD3 LYS 3 1.685 -2.642 -10.606 24 1HE LYS 3 HE2 LYS 3 1.415 -4.632 -11.844 25 2HE LYS 3 HE3 LYS 3 -0.157 -4.163 -12.460 26 1HZ LYS 3 HZ1 LYS 3 1.398 -3.932 -14.186 27 2HZ LYS 3 HZ2 LYS 3 1.021 -2.412 -13.725 28 3HZ LYS 3 HZ3 LYS 3 2.443 -3.074 -13.270 29 H LYS 4 HN LYS 4 -2.183 -3.085 -7.036 30 HA LYS 4 HA LYS 4 -4.340 -2.077 -8.755 31 1HB LYS 4 HB2 LYS 4 -5.052 -3.602 -6.809 32 2HB LYS 4 HB3 LYS 4 -4.561 -2.296 -5.750 33 1HG LYS 4 HG2 LYS 4 -6.902 -1.953 -6.155 34 2HG LYS 4 HG3 LYS 4 -6.075 -0.742 -7.115 35 1HD LYS 4 HD2 LYS 4 -6.241 -2.255 -9.123 36 2HD LYS 4 HD3 LYS 4 -7.124 -3.418 -8.155 37 1HE LYS 4 HE2 LYS 4 -8.786 -1.479 -7.640 38 2HE LYS 4 HE3 LYS 4 -7.997 -0.607 -8.939 39 1HZ LYS 4 HZ1 LYS 4 -9.368 -3.194 -9.143 40 2HZ LYS 4 HZ2 LYS 4 -9.813 -1.781 -9.832 41 3HZ LYS 4 HZ3 LYS 4 -8.474 -2.558 -10.353 42 H GLU 5 HN GLU 5 -3.763 -0.076 -9.406 43 HA GLU 5 HA GLU 5 -1.961 1.423 -7.764 44 1HB GLU 5 HB2 GLU 5 -3.294 2.246 -10.378 45 2HB GLU 5 HB3 GLU 5 -1.886 2.988 -9.645 46 1HG GLU 5 HG2 GLU 5 -0.647 1.566 -10.918 47 2HG GLU 5 HG3 GLU 5 -1.122 0.313 -9.790 48 H PHE 6 HN PHE 6 -2.413 3.442 -6.744 49 HA PHE 6 HA PHE 6 -5.155 4.386 -6.865 50 1HB PHE 6 HB2 PHE 6 -3.615 3.562 -4.329 51 2HB PHE 6 HB3 PHE 6 -5.165 4.378 -4.307 52 HD1 PHE 6 HD1 PHE 6 -4.115 1.513 -3.318 53 HD2 PHE 6 HD2 PHE 6 -6.543 2.889 -6.515 54 HE1 PHE 6 HE1 PHE 6 -5.283 -0.707 -3.387 55 HE2 PHE 6 HE2 PHE 6 -7.711 0.669 -6.583 56 HZ PHE 6 HZ PHE 6 -7.067 -1.103 -5.018 57 H HIS 7 HN HIS 7 -5.262 6.402 -5.177 58 HA HIS 7 HA HIS 7 -2.720 7.811 -5.266 59 1HB HIS 7 HB2 HIS 7 -3.404 8.877 -7.123 60 2HB HIS 7 HB3 HIS 7 -5.081 8.418 -6.905 61 HD1 HIS 7 HD1 HIS 7 -3.275 11.362 -7.233 62 HD2 HIS 7 HD2 HIS 7 -6.022 10.062 -4.341 63 HE1 HIS 7 HE1 HIS 7 -4.175 13.466 -6.104 64 H ILE 8 HN ILE 8 -2.376 9.101 -3.469 65 HA ILE 8 HA ILE 8 -4.037 8.681 -1.253 66 HB ILE 8 HB ILE 8 -1.875 10.740 -1.708 67 1HG1 ILE 8 HG12 ILE 8 -0.681 8.826 -2.009 68 2HG1 ILE 8 HG13 ILE 8 -0.636 8.901 -0.259 69 1HG2 ILE 8 HG21 ILE 8 -3.319 9.805 0.767 70 2HG2 ILE 8 HG22 ILE 8 -1.683 10.502 0.839 71 3HG2 ILE 8 HG23 ILE 8 -3.032 11.464 0.191 72 1HD1 ILE 8 HD11 ILE 8 -1.283 6.632 -1.239 73 2HD1 ILE 8 HD12 ILE 8 -2.423 7.289 -0.041 74 3HD1 ILE 8 HD13 ILE 8 -2.802 7.387 -1.777 75 H VAL 9 HN VAL 9 -5.868 9.673 -0.579 76 HA VAL 9 HA VAL 9 -6.476 12.268 -1.819 77 HB VAL 9 HB VAL 9 -8.878 11.531 -1.642 78 1HG1 VAL 9 HG11 VAL 9 -8.850 10.827 -3.810 79 2HG1 VAL 9 HG12 VAL 9 -7.153 11.351 -3.693 80 3HG1 VAL 9 HG13 VAL 9 -7.566 9.628 -3.524 81 1HG2 VAL 9 HG21 VAL 9 -7.525 8.899 -1.020 82 2HG2 VAL 9 HG22 VAL 9 -8.844 9.713 -0.143 83 3HG2 VAL 9 HG23 VAL 9 -9.153 8.979 -1.735 84 H ALA 10 HN ALA 10 -5.404 10.865 0.920 85 HA ALA 10 HA ALA 10 -7.282 12.113 2.744 86 1HB ALA 10 HB1 ALA 10 -6.575 10.035 3.543 87 2HB ALA 10 HB2 ALA 10 -4.909 10.263 2.960 88 3HB ALA 10 HB3 ALA 10 -5.478 11.149 4.394 89 H GLU 11 HN GLU 11 -4.457 12.908 0.930 90 HA GLU 11 HA GLU 11 -2.945 14.484 1.074 91 1HB GLU 11 HB2 GLU 11 -3.831 16.739 1.300 92 2HB GLU 11 HB3 GLU 11 -5.030 15.747 0.494 93 1HG GLU 11 HG2 GLU 11 -6.324 15.502 2.549 94 2HG GLU 11 HG3 GLU 11 -5.052 16.234 3.506 95 H THR 12 HN THR 12 -3.526 12.813 3.635 96 HA THR 12 HA THR 12 -2.928 14.550 5.813 97 HB THR 12 HB THR 12 -4.154 12.252 5.782 98 HG1 THR 12 HG1 THR 12 -3.587 13.097 7.808 99 1HG2 THR 12 HG21 THR 12 -1.297 11.232 6.119 100 2HG2 THR 12 HG22 THR 12 -2.795 10.277 6.020 101 3HG2 THR 12 HG23 THR 12 -2.161 11.091 4.570 102 H GLY 13 HN GLY 13 -0.959 12.063 4.047 103 1HA GLY 13 HA1 GLY 13 1.265 13.070 3.384 104 2HA GLY 13 HA2 GLY 13 1.439 13.438 5.089 105 H ILE 14 HN ILE 14 -0.361 10.527 4.324 106 HA ILE 14 HA ILE 14 0.062 8.453 5.077 107 HB ILE 14 HB ILE 14 2.077 9.033 2.931 108 1HG1 ILE 14 HG12 ILE 14 0.553 8.111 1.480 109 2HG1 ILE 14 HG13 ILE 14 -0.166 7.073 2.695 110 1HG2 ILE 14 HG21 ILE 14 3.263 7.225 3.426 111 2HG2 ILE 14 HG22 ILE 14 2.170 6.810 4.768 112 3HG2 ILE 14 HG23 ILE 14 1.812 6.241 3.120 113 1HD1 ILE 14 HD11 ILE 14 -1.732 8.875 2.108 114 2HD1 ILE 14 HD12 ILE 14 -1.191 9.084 3.791 115 3HD1 ILE 14 HD13 ILE 14 -0.504 10.102 2.502 116 H HIS 15 HN HIS 15 0.636 9.574 7.256 117 HA HIS 15 HA HIS 15 3.466 9.268 7.848 118 1HB HIS 15 HB2 HIS 15 2.585 10.240 10.117 119 2HB HIS 15 HB3 HIS 15 2.833 11.279 8.728 120 HD2 HIS 15 HD2 HIS 15 0.465 12.309 7.541 121 HE1 HIS 15 HE1 HIS 15 -2.158 10.884 10.574 122 HE2 HIS 15 HE2 HIS 15 -1.879 12.446 8.530 123 H ALA 16 HN ALA 16 3.680 8.442 10.368 124 HA ALA 16 HA ALA 16 3.467 5.769 10.348 125 1HB ALA 16 HB1 ALA 16 3.551 5.918 12.834 126 2HB ALA 16 HB2 ALA 16 4.674 7.053 12.047 127 3HB ALA 16 HB3 ALA 16 3.138 7.646 12.725 128 H ARG 17 HN ARG 17 0.877 8.130 11.023 129 HA ARG 17 HA ARG 17 -0.894 6.250 12.083 130 1HB ARG 17 HB2 ARG 17 -1.809 8.737 10.600 131 2HB ARG 17 HB3 ARG 17 -2.499 8.014 12.039 132 1HG ARG 17 HG2 ARG 17 0.274 9.291 11.959 133 2HG ARG 17 HG3 ARG 17 -1.173 10.152 12.448 134 1HD ARG 17 HD2 ARG 17 -0.743 7.530 13.818 135 2HD ARG 17 HD3 ARG 17 0.452 8.759 14.182 136 HE ARG 17 HE ARG 17 -2.148 9.950 14.341 137 1HH1 ARG 17 HH22 ARG 17 -0.132 7.629 16.054 138 2HH1 ARG 17 HH21 ARG 17 -0.873 7.928 17.591 139 1HH2 ARG 17 HH12 ARG 17 -3.125 10.345 16.368 140 2HH2 ARG 17 HH11 ARG 17 -2.586 9.483 17.771 141 HA PRO 18 HA PRO 18 -2.785 6.113 7.757 142 1HB PRO 18 HB2 PRO 18 -1.992 7.838 5.791 143 2HB PRO 18 HB3 PRO 18 -3.352 8.153 6.852 144 1HG PRO 18 HG2 PRO 18 -0.649 9.350 6.898 145 2HG PRO 18 HG3 PRO 18 -2.122 9.935 7.646 146 1HD PRO 18 HD2 PRO 18 0.063 8.617 8.957 147 2HD PRO 18 HD3 PRO 18 -1.458 9.097 9.682 148 H ALA 19 HN ALA 19 0.613 6.713 7.840 149 HA ALA 19 HA ALA 19 1.289 5.317 5.520 150 1HB ALA 19 HB1 ALA 19 2.736 6.869 6.896 151 2HB ALA 19 HB2 ALA 19 2.900 5.558 8.089 152 3HB ALA 19 HB3 ALA 19 3.522 5.339 6.435 153 H THR 20 HN THR 20 0.997 4.255 8.975 154 HA THR 20 HA THR 20 1.597 1.541 8.334 155 HB THR 20 HB THR 20 0.125 2.339 10.838 156 HG1 THR 20 HG1 THR 20 2.277 3.332 11.455 157 1HG2 THR 20 HG21 THR 20 1.247 0.500 11.593 158 2HG2 THR 20 HG22 THR 20 2.003 0.305 9.994 159 3HG2 THR 20 HG23 THR 20 2.790 1.311 11.234 160 H LEU 21 HN LEU 21 -1.405 3.463 8.749 161 HA LEU 21 HA LEU 21 -3.282 1.567 8.950 162 1HB LEU 21 HB2 LEU 21 -3.401 4.141 8.618 163 2HB LEU 21 HB3 LEU 21 -3.595 3.755 6.920 164 HG LEU 21 HG LEU 21 -5.421 2.993 9.207 165 1HD1 LEU 21 HD11 LEU 21 -5.713 5.259 8.400 166 2HD1 LEU 21 HD12 LEU 21 -5.839 4.678 6.722 167 3HD1 LEU 21 HD13 LEU 21 -7.097 4.254 7.908 168 1HD2 LEU 21 HD21 LEU 21 -5.407 1.976 6.360 169 2HD2 LEU 21 HD22 LEU 21 -5.367 1.038 7.872 170 3HD2 LEU 21 HD23 LEU 21 -6.842 1.920 7.411 171 H LEU 22 HN LEU 22 -1.879 2.659 5.777 172 HA LEU 22 HA LEU 22 -3.155 0.582 4.354 173 1HB LEU 22 HB2 LEU 22 -1.431 1.288 2.587 174 2HB LEU 22 HB3 LEU 22 -2.683 2.414 3.069 175 HG LEU 22 HG LEU 22 -0.382 2.819 4.745 176 1HD1 LEU 22 HD11 LEU 22 0.526 1.760 2.432 177 2HD1 LEU 22 HD12 LEU 22 0.445 3.480 1.981 178 3HD1 LEU 22 HD13 LEU 22 1.411 2.974 3.387 179 1HD2 LEU 22 HD21 LEU 22 -2.262 4.403 4.133 180 2HD2 LEU 22 HD22 LEU 22 -0.616 5.079 4.089 181 3HD2 LEU 22 HD23 LEU 22 -1.438 4.636 2.573 182 H VAL 23 HN VAL 23 0.377 1.104 5.055 183 HA VAL 23 HA VAL 23 1.281 -1.321 4.254 184 HB VAL 23 HB VAL 23 2.738 0.459 4.896 185 1HG1 VAL 23 HG11 VAL 23 1.086 1.023 6.925 186 2HG1 VAL 23 HG12 VAL 23 2.314 0.105 7.829 187 3HG1 VAL 23 HG13 VAL 23 2.786 1.550 6.902 188 1HG2 VAL 23 HG21 VAL 23 3.025 -2.054 6.552 189 2HG2 VAL 23 HG22 VAL 23 3.847 -1.616 5.036 190 3HG2 VAL 23 HG23 VAL 23 4.264 -0.777 6.549 191 H GLN 24 HN GLN 24 0.065 -0.467 7.569 192 HA GLN 24 HA GLN 24 0.419 -2.884 8.725 193 1HB GLN 24 HB2 GLN 24 -1.161 -2.181 10.375 194 2HB GLN 24 HB3 GLN 24 -0.424 -0.710 9.771 195 1HG GLN 24 HG2 GLN 24 -2.376 0.037 8.818 196 2HG GLN 24 HG3 GLN 24 -2.820 -1.554 8.231 197 1HE2 GLN 24 HE21 GLN 24 -4.229 -2.772 9.314 198 2HE2 GLN 24 HE22 GLN 24 -4.974 -2.364 10.824 199 H THR 25 HN THR 25 -2.186 -1.822 6.501 200 HA THR 25 HA THR 25 -3.602 -4.331 6.823 201 HB THR 25 HB THR 25 -4.076 -1.613 5.744 202 HG1 THR 25 HG1 THR 25 -5.494 -2.268 7.337 203 1HG2 THR 25 HG21 THR 25 -4.899 -4.093 4.194 204 2HG2 THR 25 HG22 THR 25 -6.018 -2.714 4.311 205 3HG2 THR 25 HG23 THR 25 -4.415 -2.499 3.568 206 H ALA 26 HN ALA 26 -1.156 -2.894 4.737 207 HA ALA 26 HA ALA 26 -1.593 -4.892 2.688 208 1HB ALA 26 HB1 ALA 26 0.320 -2.564 3.063 209 2HB ALA 26 HB2 ALA 26 0.456 -3.706 1.704 210 3HB ALA 26 HB3 ALA 26 -1.013 -2.720 1.894 211 H SER 27 HN SER 27 0.553 -4.179 5.454 212 HA SER 27 HA SER 27 2.224 -6.414 4.733 213 1HB SER 27 HB2 SER 27 2.919 -4.064 5.789 214 2HB SER 27 HB3 SER 27 2.525 -4.856 7.302 215 HG SER 27 HG SER 27 4.287 -6.071 5.363 216 H LYS 28 HN LYS 28 -0.417 -7.218 5.208 217 HA LYS 28 HA LYS 28 -0.026 -8.860 7.559 218 1HB LYS 28 HB2 LYS 28 -2.342 -8.313 8.389 219 2HB LYS 28 HB3 LYS 28 -1.137 -7.065 8.629 220 1HG LYS 28 HG2 LYS 28 -2.962 -5.846 7.767 221 2HG LYS 28 HG3 LYS 28 -1.971 -6.093 6.344 222 1HD LYS 28 HD2 LYS 28 -4.219 -6.650 5.691 223 2HD LYS 28 HD3 LYS 28 -3.366 -8.175 5.835 224 1HE LYS 28 HE2 LYS 28 -4.637 -7.264 8.367 225 2HE LYS 28 HE3 LYS 28 -5.778 -7.579 7.074 226 1HZ LYS 28 HZ1 LYS 28 -3.959 -9.634 7.026 227 2HZ LYS 28 HZ2 LYS 28 -4.332 -9.418 8.601 228 3HZ LYS 28 HZ3 LYS 28 -5.516 -9.704 7.513 229 H PHE 29 HN PHE 29 -0.137 -8.967 4.494 230 HA PHE 29 HA PHE 29 -2.341 -10.901 4.334 231 1HB PHE 29 HB2 PHE 29 -0.925 -9.199 2.194 232 2HB PHE 29 HB3 PHE 29 -2.237 -10.311 1.859 233 HD1 PHE 29 HD1 PHE 29 -1.941 -7.198 1.450 234 HD2 PHE 29 HD2 PHE 29 -3.935 -9.625 4.304 235 HE1 PHE 29 HE1 PHE 29 -3.603 -5.360 1.853 236 HE2 PHE 29 HE2 PHE 29 -5.596 -7.787 4.706 237 HZ PHE 29 HZ PHE 29 -5.410 -5.677 3.476 238 H ASN 30 HN ASN 30 -1.926 -12.943 3.408 239 HA ASN 30 HA ASN 30 0.734 -13.795 3.658 240 1HB ASN 30 HB2 ASN 30 -1.865 -15.054 2.714 241 2HB ASN 30 HB3 ASN 30 -0.363 -15.923 2.471 242 1HD2 ASN 30 HD21 ASN 30 -2.775 -14.926 4.677 243 2HD2 ASN 30 HD22 ASN 30 -2.153 -15.652 6.121 244 H SER 31 HN SER 31 -0.748 -11.960 1.294 245 HA SER 31 HA SER 31 0.568 -13.308 -0.910 246 1HB SER 31 HB2 SER 31 -1.811 -11.612 -0.616 247 2HB SER 31 HB3 SER 31 -0.770 -11.035 -1.902 248 HG SER 31 HG SER 31 -1.714 -13.762 -1.629 249 H ASP 32 HN ASP 32 1.359 -11.428 -2.639 250 HA ASP 32 HA ASP 32 3.328 -9.981 -1.102 251 1HB ASP 32 HB2 ASP 32 3.040 -10.906 -3.953 252 2HB ASP 32 HB3 ASP 32 4.025 -9.484 -3.674 253 H ILE 33 HN ILE 33 2.008 -8.176 -0.353 254 HA ILE 33 HA ILE 33 0.941 -6.489 -2.508 255 HB ILE 33 HB ILE 33 -0.677 -7.436 -0.857 256 1HG1 ILE 33 HG12 ILE 33 -0.738 -5.111 -2.153 257 2HG1 ILE 33 HG13 ILE 33 -2.014 -5.614 -1.063 258 1HG2 ILE 33 HG21 ILE 33 1.162 -6.065 1.022 259 2HG2 ILE 33 HG22 ILE 33 -0.580 -5.882 1.340 260 3HG2 ILE 33 HG23 ILE 33 0.141 -7.506 1.247 261 1HD1 ILE 33 HD11 ILE 33 0.365 -4.052 -0.009 262 2HD1 ILE 33 HD12 ILE 33 -1.008 -3.218 -0.776 263 3HD1 ILE 33 HD13 ILE 33 -1.267 -4.200 0.686 264 H ASN 34 HN ASN 34 1.872 -4.533 -2.861 265 HA ASN 34 HA ASN 34 3.492 -3.468 -0.701 266 1HB ASN 34 HB2 ASN 34 4.383 -3.547 -3.631 267 2HB ASN 34 HB3 ASN 34 5.309 -2.902 -2.290 268 1HD2 ASN 34 HD21 ASN 34 6.278 -4.849 -3.991 269 2HD2 ASN 34 HD22 ASN 34 6.498 -6.341 -3.139 270 H LEU 35 HN LEU 35 4.271 -1.072 -1.594 271 HA LEU 35 HA LEU 35 1.928 0.097 -2.926 272 1HB LEU 35 HB2 LEU 35 1.616 1.522 -1.269 273 2HB LEU 35 HB3 LEU 35 2.638 0.469 -0.310 274 HG LEU 35 HG LEU 35 4.601 1.849 -0.856 275 1HD1 LEU 35 HD11 LEU 35 4.551 3.046 -2.733 276 2HD1 LEU 35 HD12 LEU 35 2.774 2.995 -2.817 277 3HD1 LEU 35 HD13 LEU 35 3.584 4.237 -1.832 278 1HD2 LEU 35 HD21 LEU 35 2.198 3.150 0.411 279 2HD2 LEU 35 HD22 LEU 35 3.631 2.431 1.182 280 3HD2 LEU 35 HD23 LEU 35 3.769 3.983 0.323 281 H GLU 36 HN GLU 36 2.313 1.603 -4.554 282 HA GLU 36 HA GLU 36 5.140 2.070 -5.101 283 1HB GLU 36 HB2 GLU 36 4.267 0.391 -6.679 284 2HB GLU 36 HB3 GLU 36 2.931 1.440 -7.107 285 1HG GLU 36 HG2 GLU 36 5.541 2.790 -7.393 286 2HG GLU 36 HG3 GLU 36 5.433 1.345 -8.378 287 H TYR 37 HN TYR 37 5.644 4.216 -5.101 288 HA TYR 37 HA TYR 37 3.472 6.086 -5.775 289 1HB TYR 37 HB2 TYR 37 4.011 6.103 -3.348 290 2HB TYR 37 HB3 TYR 37 5.731 6.091 -3.686 291 HD1 TYR 37 HD1 TYR 37 3.498 8.248 -5.653 292 HD2 TYR 37 HD2 TYR 37 6.100 8.051 -2.262 293 HE1 TYR 37 HE1 TYR 37 3.543 10.787 -5.530 294 HE2 TYR 37 HE2 TYR 37 6.136 10.590 -2.151 295 HH TYR 37 HH TYR 37 5.680 12.489 -4.231 296 H LYS 38 HN LYS 38 3.904 7.401 -7.477 297 HA LYS 38 HA LYS 38 5.029 8.619 -8.944 298 1HB LYS 38 HB2 LYS 38 7.562 8.166 -7.349 299 2HB LYS 38 HB3 LYS 38 7.234 9.449 -8.496 300 1HG LYS 38 HG2 LYS 38 5.153 9.910 -6.848 301 2HG LYS 38 HG3 LYS 38 6.185 9.093 -5.691 302 1HD LYS 38 HD2 LYS 38 6.701 11.437 -5.506 303 2HD LYS 38 HD3 LYS 38 8.057 10.705 -6.340 304 1HE LYS 38 HE2 LYS 38 7.480 11.651 -8.417 305 2HE LYS 38 HE3 LYS 38 5.782 11.786 -8.007 306 1HZ LYS 38 HZ1 LYS 38 7.133 13.335 -6.194 307 2HZ LYS 38 HZ2 LYS 38 7.817 13.670 -7.639 308 3HZ LYS 38 HZ3 LYS 38 6.207 13.853 -7.436 309 H GLY 39 HN GLY 39 5.381 5.374 -8.301 310 1HA GLY 39 HA1 GLY 39 5.522 4.015 -10.328 311 2HA GLY 39 HA2 GLY 39 6.927 4.954 -10.790 312 H LYS 40 HN LYS 40 7.123 4.757 -7.459 313 HA LYS 40 HA LYS 40 8.962 2.500 -7.673 314 1HB LYS 40 HB2 LYS 40 10.065 4.397 -6.836 315 2HB LYS 40 HB3 LYS 40 8.724 4.852 -5.805 316 1HG LYS 40 HG2 LYS 40 9.102 2.816 -4.404 317 2HG LYS 40 HG3 LYS 40 10.435 2.346 -5.440 318 1HD LYS 40 HD2 LYS 40 11.872 3.803 -4.433 319 2HD LYS 40 HD3 LYS 40 10.724 5.124 -4.518 320 1HE LYS 40 HE2 LYS 40 9.485 3.898 -2.552 321 2HE LYS 40 HE3 LYS 40 10.974 2.993 -2.364 322 1HZ LYS 40 HZ1 LYS 40 10.914 5.925 -2.426 323 2HZ LYS 40 HZ2 LYS 40 10.795 5.068 -1.041 324 3HZ LYS 40 HZ3 LYS 40 12.147 4.965 -1.952 325 H SER 41 HN SER 41 8.056 0.554 -7.261 326 HA SER 41 HA SER 41 5.958 0.508 -5.250 327 1HB SER 41 HB2 SER 41 5.701 -0.459 -7.673 328 2HB SER 41 HB3 SER 41 6.679 -1.792 -7.093 329 HG SER 41 HG SER 41 4.195 -1.887 -6.911 330 H VAL 42 HN VAL 42 6.507 -0.208 -3.225 331 HA VAL 42 HA VAL 42 8.447 -2.355 -3.005 332 HB VAL 42 HB VAL 42 9.992 -1.247 -1.736 333 1HG1 VAL 42 HG11 VAL 42 10.178 -0.366 -3.970 334 2HG1 VAL 42 HG12 VAL 42 8.923 0.854 -3.648 335 3HG1 VAL 42 HG13 VAL 42 10.495 0.955 -2.820 336 1HG2 VAL 42 HG21 VAL 42 8.127 1.086 -1.225 337 2HG2 VAL 42 HG22 VAL 42 8.234 -0.333 -0.155 338 3HG2 VAL 42 HG23 VAL 42 9.660 0.702 -0.406 339 H ASN 43 HN ASN 43 8.104 -3.650 -1.166 340 HA ASN 43 HA ASN 43 5.639 -3.963 -0.265 341 1HB ASN 43 HB2 ASN 43 7.957 -4.267 1.687 342 2HB ASN 43 HB3 ASN 43 6.557 -5.306 1.508 343 1HD2 ASN 43 HD21 ASN 43 6.660 -7.027 0.248 344 2HD2 ASN 43 HD22 ASN 43 7.946 -7.432 -0.840 345 H LEU 44 HN LEU 44 4.582 -1.889 0.147 346 HA LEU 44 HA LEU 44 5.136 0.284 1.347 347 1HB LEU 44 HB2 LEU 44 2.942 -0.697 2.907 348 2HB LEU 44 HB3 LEU 44 2.958 0.476 1.606 349 HG LEU 44 HG LEU 44 2.884 -1.461 -0.022 350 1HD1 LEU 44 HD11 LEU 44 2.173 -3.635 0.762 351 2HD1 LEU 44 HD12 LEU 44 3.709 -3.188 1.543 352 3HD1 LEU 44 HD13 LEU 44 2.181 -3.068 2.449 353 1HD2 LEU 44 HD21 LEU 44 0.884 -0.311 0.165 354 2HD2 LEU 44 HD22 LEU 44 0.408 -1.975 0.578 355 3HD2 LEU 44 HD23 LEU 44 0.652 -0.774 1.868 356 H LYS 45 HN LYS 45 5.212 -2.843 3.091 357 HA LYS 45 HA LYS 45 5.677 -1.721 5.630 358 1HB LYS 45 HB2 LYS 45 4.821 -4.015 5.199 359 2HB LYS 45 HB3 LYS 45 6.394 -4.473 4.576 360 1HG LYS 45 HG2 LYS 45 6.301 -5.155 6.905 361 2HG LYS 45 HG3 LYS 45 7.421 -3.811 6.792 362 1HD LYS 45 HD2 LYS 45 4.645 -2.911 7.243 363 2HD LYS 45 HD3 LYS 45 5.206 -3.982 8.512 364 1HE LYS 45 HE2 LYS 45 7.366 -2.177 7.931 365 2HE LYS 45 HE3 LYS 45 5.911 -1.207 8.047 366 1HZ LYS 45 HZ1 LYS 45 7.323 -2.494 10.097 367 2HZ LYS 45 HZ2 LYS 45 6.101 -1.417 10.216 368 3HZ LYS 45 HZ3 LYS 45 5.775 -3.013 10.097 369 H SER 46 HN SER 46 7.484 -1.438 2.851 370 HA SER 46 HA SER 46 10.031 -1.826 4.108 371 1HB SER 46 HB2 SER 46 9.665 -2.410 1.712 372 2HB SER 46 HB3 SER 46 9.304 -0.733 1.354 373 HG SER 46 HG SER 46 11.766 -1.238 2.678 374 H ILE 47 HN ILE 47 9.355 -0.158 5.843 375 HA ILE 47 HA ILE 47 8.809 2.435 5.477 376 HB ILE 47 HB ILE 47 9.561 0.880 7.561 377 1HG1 ILE 47 HG12 ILE 47 9.139 2.832 8.961 378 2HG1 ILE 47 HG13 ILE 47 9.403 3.908 7.603 379 1HG2 ILE 47 HG21 ILE 47 11.468 2.077 8.665 380 2HG2 ILE 47 HG22 ILE 47 11.918 1.084 7.257 381 3HG2 ILE 47 HG23 ILE 47 11.808 2.854 7.100 382 1HD1 ILE 47 HD11 ILE 47 6.941 2.945 8.348 383 2HD1 ILE 47 HD12 ILE 47 7.335 3.499 6.703 384 3HD1 ILE 47 HD13 ILE 47 7.399 1.764 7.097 385 H MET 48 HN MET 48 12.162 1.036 5.422 386 HA MET 48 HA MET 48 13.604 3.208 4.982 387 1HB MET 48 HB2 MET 48 14.606 0.978 5.035 388 2HB MET 48 HB3 MET 48 13.723 0.475 3.607 389 1HG MET 48 HG2 MET 48 15.043 2.609 2.547 390 2HG MET 48 HG3 MET 48 16.179 2.196 3.816 391 1HE MET 48 HE1 MET 48 14.134 1.056 0.841 392 2HE MET 48 HE2 MET 48 14.823 -0.514 0.361 393 3HE MET 48 HE3 MET 48 13.794 -0.399 1.809 394 H GLY 49 HN GLY 49 12.559 1.240 2.108 395 1HA GLY 49 HA1 GLY 49 13.033 3.214 0.216 396 2HA GLY 49 HA2 GLY 49 11.951 1.848 0.033 397 H VAL 50 HN VAL 50 9.908 2.276 1.830 398 HA VAL 50 HA VAL 50 8.327 4.137 0.533 399 HB VAL 50 HB VAL 50 8.168 2.305 2.755 400 1HG1 VAL 50 HG11 VAL 50 6.360 3.451 4.011 401 2HG1 VAL 50 HG12 VAL 50 7.935 4.265 4.173 402 3HG1 VAL 50 HG13 VAL 50 6.692 4.938 3.091 403 1HG2 VAL 50 HG21 VAL 50 6.653 1.618 1.257 404 2HG2 VAL 50 HG22 VAL 50 5.589 2.897 1.889 405 3HG2 VAL 50 HG23 VAL 50 6.605 3.210 0.462 406 H MET 51 HN MET 51 10.065 4.386 3.711 407 HA MET 51 HA MET 51 9.272 6.793 4.513 408 1HB MET 51 HB2 MET 51 11.971 5.391 4.538 409 2HB MET 51 HB3 MET 51 11.863 7.006 5.210 410 1HG MET 51 HG2 MET 51 9.689 5.194 6.121 411 2HG MET 51 HG3 MET 51 11.290 4.660 6.591 412 1HE MET 51 HE1 MET 51 11.623 8.597 6.323 413 2HE MET 51 HE2 MET 51 10.066 8.032 5.671 414 3HE MET 51 HE3 MET 51 10.105 9.022 7.150 415 H SER 52 HN SER 52 11.974 6.200 2.156 416 HA SER 52 HA SER 52 12.509 8.897 1.770 417 1HB SER 52 HB2 SER 52 14.259 7.663 0.955 418 2HB SER 52 HB3 SER 52 13.236 6.317 0.494 419 HG SER 52 HG SER 52 12.618 7.442 -1.418 420 H LEU 53 HN LEU 53 10.007 6.740 0.549 421 HA LEU 53 HA LEU 53 9.341 8.572 -1.610 422 1HB LEU 53 HB2 LEU 53 9.142 5.784 -1.196 423 2HB LEU 53 HB3 LEU 53 7.500 6.393 -1.271 424 HG LEU 53 HG LEU 53 9.656 6.564 -3.377 425 1HD1 LEU 53 HD11 LEU 53 8.626 4.654 -3.941 426 2HD1 LEU 53 HD12 LEU 53 7.181 5.021 -2.968 427 3HD1 LEU 53 HD13 LEU 53 7.362 5.725 -4.593 428 1HD2 LEU 53 HD21 LEU 53 7.837 8.626 -2.820 429 2HD2 LEU 53 HD22 LEU 53 8.821 8.408 -4.288 430 3HD2 LEU 53 HD23 LEU 53 7.164 7.760 -4.222 431 H GLY 54 HN GLY 54 7.055 6.772 0.496 432 1HA GLY 54 HA1 GLY 54 5.260 7.467 1.655 433 2HA GLY 54 HA2 GLY 54 6.243 8.824 2.166 434 H VAL 55 HN VAL 55 3.307 8.636 1.420 435 HA VAL 55 HA VAL 55 3.373 10.749 -0.616 436 HB VAL 55 HB VAL 55 0.911 9.539 -0.891 437 1HG1 VAL 55 HG11 VAL 55 2.960 8.504 -2.732 438 2HG1 VAL 55 HG12 VAL 55 1.525 9.507 -3.055 439 3HG1 VAL 55 HG13 VAL 55 3.032 10.266 -2.488 440 1HG2 VAL 55 HG21 VAL 55 2.039 7.649 0.528 441 2HG2 VAL 55 HG22 VAL 55 1.084 7.226 -0.914 442 3HG2 VAL 55 HG23 VAL 55 2.862 7.251 -0.999 443 H GLY 56 HN GLY 56 0.721 11.530 -0.532 444 1HA GLY 56 HA1 GLY 56 -0.667 11.683 1.776 445 2HA GLY 56 HA2 GLY 56 0.627 12.833 2.046 446 H GLN 57 HN GLN 57 0.716 14.801 0.863 447 HA GLN 57 HA GLN 57 -1.541 16.027 0.247 448 1HB GLN 57 HB2 GLN 57 1.291 16.398 -0.451 449 2HB GLN 57 HB3 GLN 57 0.228 17.094 -1.658 450 1HG GLN 57 HG2 GLN 57 -0.896 18.475 -0.014 451 2HG GLN 57 HG3 GLN 57 -0.164 17.606 1.321 452 1HE2 GLN 57 HE21 GLN 57 2.081 17.802 1.715 453 2HE2 GLN 57 HE22 GLN 57 2.975 19.199 1.213 454 H GLY 58 HN GLY 58 -3.067 14.609 -0.789 455 1HA GLY 58 HA1 GLY 58 -4.039 13.497 -2.506 456 2HA GLY 58 HA2 GLY 58 -3.570 14.920 -3.414 457 H SER 59 HN SER 59 -0.853 13.219 -2.099 458 HA SER 59 HA SER 59 0.269 12.745 -4.535 459 1HB SER 59 HB2 SER 59 0.813 11.064 -2.056 460 2HB SER 59 HB3 SER 59 1.935 11.447 -3.348 461 HG SER 59 HG SER 59 2.286 13.435 -2.533 462 H ASP 60 HN ASP 60 0.351 10.968 -5.973 463 HA ASP 60 HA ASP 60 -1.728 9.011 -5.485 464 1HB ASP 60 HB2 ASP 60 -1.644 8.578 -7.880 465 2HB ASP 60 HB3 ASP 60 -1.716 10.312 -7.635 466 H VAL 61 HN VAL 61 -1.231 6.692 -5.764 467 HA VAL 61 HA VAL 61 1.550 5.979 -6.143 468 HB VAL 61 HB VAL 61 1.566 4.632 -4.065 469 1HG1 VAL 61 HG11 VAL 61 1.118 7.547 -3.390 470 2HG1 VAL 61 HG12 VAL 61 2.259 6.396 -2.654 471 3HG1 VAL 61 HG13 VAL 61 2.536 6.990 -4.309 472 1HG2 VAL 61 HG21 VAL 61 -0.717 4.324 -3.530 473 2HG2 VAL 61 HG22 VAL 61 -0.074 5.387 -2.254 474 3HG2 VAL 61 HG23 VAL 61 -1.051 6.072 -3.576 475 H THR 62 HN THR 62 1.551 3.337 -5.722 476 HA THR 62 HA THR 62 -0.913 2.267 -6.887 477 HB THR 62 HB THR 62 1.819 2.448 -8.132 478 HG1 THR 62 HG1 THR 62 0.352 3.261 -9.573 479 1HG2 THR 62 HG21 THR 62 1.856 0.083 -8.149 480 2HG2 THR 62 HG22 THR 62 0.081 -0.039 -8.091 481 3HG2 THR 62 HG23 THR 62 0.893 0.427 -9.606 482 H ILE 63 HN ILE 63 -1.551 0.376 -6.015 483 HA ILE 63 HA ILE 63 0.322 -0.809 -4.102 484 HB ILE 63 HB ILE 63 -2.238 0.070 -3.758 485 1HG1 ILE 63 HG12 ILE 63 -1.985 -1.783 -1.759 486 2HG1 ILE 63 HG13 ILE 63 -0.321 -1.631 -2.288 487 1HG2 ILE 63 HG21 ILE 63 -2.640 -2.252 -5.162 488 2HG2 ILE 63 HG22 ILE 63 -2.764 -2.805 -3.475 489 3HG2 ILE 63 HG23 ILE 63 -3.812 -1.490 -4.060 490 1HD1 ILE 63 HD11 ILE 63 -0.285 0.735 -1.878 491 2HD1 ILE 63 HD12 ILE 63 -2.058 0.808 -1.734 492 3HD1 ILE 63 HD13 ILE 63 -1.094 0.014 -0.466 493 H THR 64 HN THR 64 0.518 -3.154 -4.001 494 HA THR 64 HA THR 64 -0.395 -4.533 -6.421 495 HB THR 64 HB THR 64 2.430 -4.943 -5.409 496 HG1 THR 64 HG1 THR 64 1.464 -2.915 -7.295 497 1HG2 THR 64 HG21 THR 64 2.226 -4.643 -8.244 498 2HG2 THR 64 HG22 THR 64 2.496 -6.156 -7.344 499 3HG2 THR 64 HG23 THR 64 0.840 -5.647 -7.754 500 H VAL 65 HN VAL 65 -0.682 -6.790 -6.206 501 HA VAL 65 HA VAL 65 -0.219 -7.905 -3.569 502 HB VAL 65 HB VAL 65 -2.478 -6.727 -3.634 503 1HG1 VAL 65 HG11 VAL 65 -2.767 -8.193 -6.008 504 2HG1 VAL 65 HG12 VAL 65 -3.843 -8.991 -4.836 505 3HG1 VAL 65 HG13 VAL 65 -4.020 -7.251 -5.163 506 1HG2 VAL 65 HG21 VAL 65 -2.297 -8.123 -1.823 507 2HG2 VAL 65 HG22 VAL 65 -3.610 -8.946 -2.698 508 3HG2 VAL 65 HG23 VAL 65 -1.942 -9.555 -2.818 509 H ASP 66 HN ASP 66 0.705 -9.858 -3.884 510 HA ASP 66 HA ASP 66 -0.258 -11.403 -6.139 511 1HB ASP 66 HB2 ASP 66 2.582 -11.865 -5.778 512 2HB ASP 66 HB3 ASP 66 1.731 -11.373 -7.229 513 H GLY 67 HN GLY 67 -0.810 -13.434 -5.331 514 1HA GLY 67 HA1 GLY 67 0.538 -15.289 -4.075 515 2HA GLY 67 HA2 GLY 67 0.257 -14.218 -2.717 516 H ALA 68 HN ALA 68 -1.175 -15.535 -1.544 517 HA ALA 68 HA ALA 68 -3.501 -16.581 -2.926 518 1HB ALA 68 HB1 ALA 68 -3.924 -17.679 -0.743 519 2HB ALA 68 HB2 ALA 68 -2.277 -18.002 -1.335 520 3HB ALA 68 HB3 ALA 68 -2.540 -16.805 -0.044 521 H ASP 69 HN ASP 69 -2.662 -14.297 -0.240 522 HA ASP 69 HA ASP 69 -5.198 -13.592 0.434 523 1HB ASP 69 HB2 ASP 69 -2.524 -12.618 0.858 524 2HB ASP 69 HB3 ASP 69 -3.511 -11.232 0.436 525 H GLU 70 HN GLU 70 -3.074 -12.500 -2.255 526 HA GLU 70 HA GLU 70 -3.463 -10.602 -3.535 527 1HB GLU 70 HB2 GLU 70 -5.332 -11.858 -5.217 528 2HB GLU 70 HB3 GLU 70 -3.587 -11.988 -5.314 529 1HG GLU 70 HG2 GLU 70 -4.034 -14.233 -5.049 530 2HG GLU 70 HG3 GLU 70 -4.008 -13.809 -3.349 531 H ALA 71 HN ALA 71 -6.749 -12.025 -3.856 532 HA ALA 71 HA ALA 71 -8.077 -9.652 -4.028 533 1HB ALA 71 HB1 ALA 71 -9.014 -12.309 -2.872 534 2HB ALA 71 HB2 ALA 71 -10.084 -10.990 -3.404 535 3HB ALA 71 HB3 ALA 71 -9.049 -11.827 -4.585 536 H GLU 72 HN GLU 72 -8.179 -11.736 -1.050 537 HA GLU 72 HA GLU 72 -9.239 -9.913 0.602 538 1HB GLU 72 HB2 GLU 72 -9.037 -11.870 1.750 539 2HB GLU 72 HB3 GLU 72 -7.578 -12.334 0.897 540 1HG GLU 72 HG2 GLU 72 -7.031 -12.003 3.257 541 2HG GLU 72 HG3 GLU 72 -6.255 -10.742 2.321 542 H GLY 73 HN GLY 73 -5.696 -10.410 -0.025 543 1HA GLY 73 HA1 GLY 73 -4.639 -8.537 1.672 544 2HA GLY 73 HA2 GLY 73 -3.965 -8.979 0.116 545 H MET 74 HN MET 74 -4.760 -7.814 -1.857 546 HA MET 74 HA MET 74 -4.629 -5.118 -1.534 547 1HB MET 74 HB2 MET 74 -5.631 -5.102 -3.921 548 2HB MET 74 HB3 MET 74 -4.220 -6.119 -3.704 549 1HG MET 74 HG2 MET 74 -5.394 -7.987 -4.256 550 2HG MET 74 HG3 MET 74 -6.620 -7.642 -3.052 551 1HE MET 74 HE1 MET 74 -8.657 -7.772 -3.606 552 2HE MET 74 HE2 MET 74 -9.029 -6.044 -3.816 553 3HE MET 74 HE3 MET 74 -9.532 -7.220 -5.055 554 H ALA 75 HN ALA 75 -7.473 -7.272 -1.452 555 HA ALA 75 HA ALA 75 -9.527 -5.566 -1.905 556 1HB ALA 75 HB1 ALA 75 -10.665 -7.008 -0.032 557 2HB ALA 75 HB2 ALA 75 -10.081 -7.806 -1.512 558 3HB ALA 75 HB3 ALA 75 -9.118 -7.887 -0.017 559 H ALA 76 HN ALA 76 -7.983 -6.165 1.337 560 HA ALA 76 HA ALA 76 -9.389 -4.181 2.670 561 1HB ALA 76 HB1 ALA 76 -7.258 -6.039 3.160 562 2HB ALA 76 HB2 ALA 76 -6.762 -4.445 3.779 563 3HB ALA 76 HB3 ALA 76 -8.280 -5.186 4.342 564 H ILE 77 HN ILE 77 -6.029 -4.065 1.277 565 HA ILE 77 HA ILE 77 -5.483 -1.453 1.820 566 HB ILE 77 HB ILE 77 -4.557 -3.501 -0.038 567 1HG1 ILE 77 HG12 ILE 77 -3.366 -3.102 1.986 568 2HG1 ILE 77 HG13 ILE 77 -2.351 -2.559 0.664 569 1HG2 ILE 77 HG21 ILE 77 -3.884 -2.322 -1.823 570 2HG2 ILE 77 HG22 ILE 77 -5.177 -1.194 -1.349 571 3HG2 ILE 77 HG23 ILE 77 -3.496 -0.878 -0.857 572 1HD1 ILE 77 HD11 ILE 77 -2.179 -0.578 1.756 573 2HD1 ILE 77 HD12 ILE 77 -3.877 -0.283 1.310 574 3HD1 ILE 77 HD13 ILE 77 -3.485 -1.017 2.883 575 H VAL 78 HN VAL 78 -7.035 -2.744 -1.203 576 HA VAL 78 HA VAL 78 -7.486 -0.331 -2.420 577 HB VAL 78 HB VAL 78 -9.362 -2.697 -2.456 578 1HG1 VAL 78 HG11 VAL 78 -10.376 -1.132 -3.799 579 2HG1 VAL 78 HG12 VAL 78 -8.839 -0.354 -4.248 580 3HG1 VAL 78 HG13 VAL 78 -9.300 -1.907 -4.987 581 1HG2 VAL 78 HG21 VAL 78 -6.564 -2.667 -3.048 582 2HG2 VAL 78 HG22 VAL 78 -7.733 -3.993 -3.250 583 3HG2 VAL 78 HG23 VAL 78 -7.458 -2.840 -4.577 584 H GLU 79 HN GLU 79 -9.840 -2.171 -0.340 585 HA GLU 79 HA GLU 79 -11.741 -0.215 -0.290 586 1HB GLU 79 HB2 GLU 79 -11.095 -2.641 1.239 587 2HB GLU 79 HB3 GLU 79 -11.889 -1.440 2.237 588 1HG GLU 79 HG2 GLU 79 -13.219 -1.540 -0.343 589 2HG GLU 79 HG3 GLU 79 -13.080 -3.170 0.285 590 H THR 80 HN THR 80 -8.957 -0.757 1.965 591 HA THR 80 HA THR 80 -9.571 1.349 3.707 592 HB THR 80 HB THR 80 -7.548 -0.668 3.303 593 HG1 THR 80 HG1 THR 80 -8.883 0.005 5.221 594 1HG2 THR 80 HG21 THR 80 -5.950 1.022 2.549 595 2HG2 THR 80 HG22 THR 80 -6.523 2.177 3.776 596 3HG2 THR 80 HG23 THR 80 -5.626 0.722 4.274 597 H LEU 81 HN LEU 81 -7.355 1.246 0.841 598 HA LEU 81 HA LEU 81 -6.362 3.746 0.939 599 1HB LEU 81 HB2 LEU 81 -7.174 1.949 -1.307 600 2HB LEU 81 HB3 LEU 81 -6.649 3.580 -1.675 601 HG LEU 81 HG LEU 81 -5.000 1.446 -1.529 602 1HD1 LEU 81 HD11 LEU 81 -3.171 2.990 -1.550 603 2HD1 LEU 81 HD12 LEU 81 -4.540 3.740 -2.405 604 3HD1 LEU 81 HD13 LEU 81 -4.146 4.242 -0.743 605 1HD2 LEU 81 HD21 LEU 81 -4.983 2.682 1.233 606 2HD2 LEU 81 HD22 LEU 81 -5.254 0.979 0.792 607 3HD2 LEU 81 HD23 LEU 81 -3.646 1.710 0.572 608 H GLN 82 HN GLN 82 -9.641 2.771 -0.207 609 HA GLN 82 HA GLN 82 -10.255 5.576 -0.557 610 1HB GLN 82 HB2 GLN 82 -12.248 3.371 -1.067 611 2HB GLN 82 HB3 GLN 82 -12.056 4.901 -1.899 612 1HG GLN 82 HG2 GLN 82 -10.481 4.070 -3.346 613 2HG GLN 82 HG3 GLN 82 -9.667 3.153 -2.095 614 1HE2 GLN 82 HE21 GLN 82 -11.385 1.448 -1.103 615 2HE2 GLN 82 HE22 GLN 82 -12.042 0.366 -2.285 616 H LYS 83 HN LYS 83 -10.553 2.992 1.740 617 HA LYS 83 HA LYS 83 -12.943 3.993 2.971 618 1HB LYS 83 HB2 LYS 83 -12.967 1.870 3.635 619 2HB LYS 83 HB3 LYS 83 -11.322 1.616 3.088 620 1HG LYS 83 HG2 LYS 83 -10.448 2.573 5.215 621 2HG LYS 83 HG3 LYS 83 -12.083 2.890 5.760 622 1HD LYS 83 HD2 LYS 83 -10.713 0.606 6.369 623 2HD LYS 83 HD3 LYS 83 -12.462 0.698 6.328 624 1HE LYS 83 HE2 LYS 83 -12.418 -0.023 3.911 625 2HE LYS 83 HE3 LYS 83 -10.675 -0.174 4.007 626 1HZ LYS 83 HZ1 LYS 83 -12.710 -1.848 5.173 627 2HZ LYS 83 HZ2 LYS 83 -11.250 -2.253 4.564 628 3HZ LYS 83 HZ3 LYS 83 -11.363 -1.630 6.069 629 H GLU 84 HN GLU 84 -9.385 4.119 3.534 630 HA GLU 84 HA GLU 84 -9.863 5.811 5.820 631 1HB GLU 84 HB2 GLU 84 -7.117 5.137 4.748 632 2HB GLU 84 HB3 GLU 84 -7.607 5.435 6.404 633 1HG GLU 84 HG2 GLU 84 -8.598 3.029 4.812 634 2HG GLU 84 HG3 GLU 84 -7.135 2.980 5.776 635 H GLY 85 HN GLY 85 -10.256 6.446 2.749 636 1HA GLY 85 HA1 GLY 85 -9.987 8.211 1.383 637 2HA GLY 85 HA2 GLY 85 -9.810 9.164 2.843 638 H LEU 86 HN LEU 86 -7.479 6.590 2.506 639 HA LEU 86 HA LEU 86 -5.400 8.556 2.149 640 1HB LEU 86 HB2 LEU 86 -5.622 5.758 3.076 641 2HB LEU 86 HB3 LEU 86 -4.128 6.169 2.257 642 HG LEU 86 HG LEU 86 -5.219 7.756 4.592 643 1HD1 LEU 86 HD11 LEU 86 -4.360 6.338 6.094 644 2HD1 LEU 86 HD12 LEU 86 -4.423 5.140 4.779 645 3HD1 LEU 86 HD13 LEU 86 -2.910 6.017 5.112 646 1HD2 LEU 86 HD21 LEU 86 -2.350 7.617 3.693 647 2HD2 LEU 86 HD22 LEU 86 -3.503 8.732 2.923 648 3HD2 LEU 86 HD23 LEU 86 -3.173 8.858 4.668 649 H ALA 87 HN ALA 87 -7.506 7.199 0.051 650 HA ALA 87 HA ALA 87 -5.960 7.759 -2.194 651 1HB ALA 87 HB1 ALA 87 -6.162 5.085 -2.828 652 2HB ALA 87 HB2 ALA 87 -4.675 5.892 -2.275 653 3HB ALA 87 HB3 ALA 87 -5.701 5.022 -1.109 654 H GLU 88 HN GLU 88 -7.184 7.218 -4.229 655 HA GLU 88 HA GLU 88 -10.009 7.137 -3.557 656 1HB GLU 88 HB2 GLU 88 -10.225 8.021 -5.981 657 2HB GLU 88 HB3 GLU 88 -9.554 9.108 -4.782 658 1HG GLU 88 HG2 GLU 88 -7.445 9.072 -5.717 659 2HG GLU 88 HG3 GLU 88 -7.547 7.377 -6.149 660 H GLN 89 HN GLN 89 -11.344 6.205 -5.635 661 HA GLN 89 HA GLN 89 -11.047 3.527 -5.574 662 1HB GLN 89 HB2 GLN 89 -12.619 3.436 -7.394 663 2HB GLN 89 HB3 GLN 89 -13.015 4.862 -6.455 664 1HG GLN 89 HG2 GLN 89 -11.332 6.057 -8.168 665 2HG GLN 89 HG3 GLN 89 -11.725 4.682 -9.181 666 1HE2 GLN 89 HE21 GLN 89 -13.342 7.002 -7.011 667 2HE2 GLN 89 HE22 GLN 89 -14.717 7.319 -8.015 Start of MODEL 12 1 H MET 1 HN MET 1 -1.775 -12.057 -6.445 2 HA MET 1 HA MET 1 -1.084 -12.483 -8.472 3 1HB MET 1 HB2 MET 1 -3.925 -13.310 -8.288 4 2HB MET 1 HB3 MET 1 -3.433 -13.053 -9.950 5 1HG MET 1 HG2 MET 1 -1.474 -14.581 -9.604 6 2HG MET 1 HG3 MET 1 -1.971 -14.840 -7.943 7 1HE MET 1 HE1 MET 1 -2.110 -16.974 -7.832 8 2HE MET 1 HE2 MET 1 -3.501 -17.977 -8.306 9 3HE MET 1 HE3 MET 1 -2.088 -17.851 -9.380 10 H GLU 2 HN GLU 2 -2.614 -9.682 -7.866 11 HA GLU 2 HA GLU 2 -2.037 -8.712 -10.510 12 1HB GLU 2 HB2 GLU 2 -4.735 -8.110 -9.227 13 2HB GLU 2 HB3 GLU 2 -4.181 -7.581 -10.804 14 1HG GLU 2 HG2 GLU 2 -3.967 -10.051 -11.454 15 2HG GLU 2 HG3 GLU 2 -4.752 -10.452 -9.940 16 H LYS 3 HN LYS 3 -2.624 -6.098 -10.385 17 HA LYS 3 HA LYS 3 -1.583 -5.218 -7.783 18 1HB LYS 3 HB2 LYS 3 0.167 -4.222 -8.739 19 2HB LYS 3 HB3 LYS 3 -0.195 -5.156 -10.176 20 1HG LYS 3 HG2 LYS 3 -1.902 -3.201 -10.707 21 2HG LYS 3 HG3 LYS 3 -0.956 -2.289 -9.548 22 1HD LYS 3 HD2 LYS 3 -0.064 -1.887 -11.793 23 2HD LYS 3 HD3 LYS 3 1.121 -2.780 -10.862 24 1HE LYS 3 HE2 LYS 3 0.777 -4.773 -12.060 25 2HE LYS 3 HE3 LYS 3 -0.868 -4.357 -12.496 26 1HZ LYS 3 HZ1 LYS 3 1.144 -2.588 -13.525 27 2HZ LYS 3 HZ2 LYS 3 1.193 -4.106 -14.126 28 3HZ LYS 3 HZ3 LYS 3 -0.170 -3.216 -14.264 29 H LYS 4 HN LYS 4 -2.140 -2.906 -7.274 30 HA LYS 4 HA LYS 4 -4.485 -1.952 -8.707 31 1HB LYS 4 HB2 LYS 4 -5.249 -3.483 -6.848 32 2HB LYS 4 HB3 LYS 4 -4.536 -2.363 -5.706 33 1HG LYS 4 HG2 LYS 4 -6.823 -1.697 -5.858 34 2HG LYS 4 HG3 LYS 4 -5.954 -0.517 -6.818 35 1HD LYS 4 HD2 LYS 4 -6.487 -1.855 -8.891 36 2HD LYS 4 HD3 LYS 4 -7.417 -2.968 -7.908 37 1HE LYS 4 HE2 LYS 4 -8.901 -1.073 -7.185 38 2HE LYS 4 HE3 LYS 4 -7.981 0.023 -8.196 39 1HZ LYS 4 HZ1 LYS 4 -9.845 -0.699 -9.406 40 2HZ LYS 4 HZ2 LYS 4 -8.560 -1.451 -10.077 41 3HZ LYS 4 HZ3 LYS 4 -9.567 -2.277 -9.092 42 H GLU 5 HN GLU 5 -3.958 0.081 -9.284 43 HA GLU 5 HA GLU 5 -2.033 1.470 -7.656 44 1HB GLU 5 HB2 GLU 5 -3.332 2.295 -10.290 45 2HB GLU 5 HB3 GLU 5 -1.976 3.096 -9.524 46 1HG GLU 5 HG2 GLU 5 -0.581 1.685 -10.617 47 2HG GLU 5 HG3 GLU 5 -1.220 0.365 -9.657 48 H PHE 6 HN PHE 6 -2.405 3.668 -6.842 49 HA PHE 6 HA PHE 6 -5.158 4.564 -6.828 50 1HB PHE 6 HB2 PHE 6 -3.488 4.004 -4.304 51 2HB PHE 6 HB3 PHE 6 -5.120 4.643 -4.312 52 HD1 PHE 6 HD1 PHE 6 -6.987 3.201 -4.398 53 HD2 PHE 6 HD2 PHE 6 -3.105 1.643 -5.113 54 HE1 PHE 6 HE1 PHE 6 -7.901 0.866 -4.279 55 HE2 PHE 6 HE2 PHE 6 -4.019 -0.691 -4.993 56 HZ PHE 6 HZ PHE 6 -6.406 -1.052 -4.578 57 H HIS 7 HN HIS 7 -5.127 6.636 -5.126 58 HA HIS 7 HA HIS 7 -2.628 8.061 -5.472 59 1HB HIS 7 HB2 HIS 7 -3.395 9.039 -7.341 60 2HB HIS 7 HB3 HIS 7 -5.056 8.566 -7.039 61 HD1 HIS 7 HD1 HIS 7 -3.364 11.517 -7.619 62 HD2 HIS 7 HD2 HIS 7 -5.878 10.320 -4.482 63 HE1 HIS 7 HE1 HIS 7 -4.243 13.660 -6.549 64 H ILE 8 HN ILE 8 -2.233 9.522 -3.803 65 HA ILE 8 HA ILE 8 -3.723 9.182 -1.461 66 HB ILE 8 HB ILE 8 -1.684 11.271 -2.232 67 1HG1 ILE 8 HG12 ILE 8 -0.413 9.398 -2.340 68 2HG1 ILE 8 HG13 ILE 8 -0.350 9.630 -0.605 69 1HG2 ILE 8 HG21 ILE 8 -2.963 10.594 0.415 70 2HG2 ILE 8 HG22 ILE 8 -1.365 11.371 0.302 71 3HG2 ILE 8 HG23 ILE 8 -2.798 12.179 -0.378 72 1HD1 ILE 8 HD11 ILE 8 -2.172 8.028 -0.258 73 2HD1 ILE 8 HD12 ILE 8 -2.414 7.878 -2.015 74 3HD1 ILE 8 HD13 ILE 8 -0.917 7.271 -1.268 75 H VAL 9 HN VAL 9 -5.569 10.111 -0.742 76 HA VAL 9 HA VAL 9 -6.374 12.612 -2.054 77 HB VAL 9 HB VAL 9 -8.722 11.758 -1.818 78 1HG1 VAL 9 HG11 VAL 9 -8.701 10.929 -3.949 79 2HG1 VAL 9 HG12 VAL 9 -7.049 11.592 -3.895 80 3HG1 VAL 9 HG13 VAL 9 -7.319 9.851 -3.640 81 1HG2 VAL 9 HG21 VAL 9 -8.814 9.987 -0.376 82 2HG2 VAL 9 HG22 VAL 9 -8.656 9.086 -1.903 83 3HG2 VAL 9 HG23 VAL 9 -7.228 9.351 -0.874 84 H ALA 10 HN ALA 10 -5.209 11.259 0.706 85 HA ALA 10 HA ALA 10 -7.090 12.430 2.554 86 1HB ALA 10 HB1 ALA 10 -4.446 10.957 2.827 87 2HB ALA 10 HB2 ALA 10 -5.341 11.616 4.218 88 3HB ALA 10 HB3 ALA 10 -6.079 10.355 3.201 89 H GLU 11 HN GLU 11 -4.333 13.393 0.676 90 HA GLU 11 HA GLU 11 -2.989 15.114 0.727 91 1HB GLU 11 HB2 GLU 11 -4.070 17.303 0.983 92 2HB GLU 11 HB3 GLU 11 -5.143 16.203 0.141 93 1HG GLU 11 HG2 GLU 11 -6.466 15.817 2.145 94 2HG GLU 11 HG3 GLU 11 -5.288 16.629 3.157 95 H THR 12 HN THR 12 -3.448 13.486 3.377 96 HA THR 12 HA THR 12 -2.834 15.378 5.438 97 HB THR 12 HB THR 12 -4.046 12.989 5.454 98 HG1 THR 12 HG1 THR 12 -3.773 14.230 7.364 99 1HG2 THR 12 HG21 THR 12 -1.086 12.370 5.942 100 2HG2 THR 12 HG22 THR 12 -2.423 11.310 6.449 101 3HG2 THR 12 HG23 THR 12 -2.135 11.614 4.719 102 H GLY 13 HN GLY 13 -0.938 12.676 3.922 103 1HA GLY 13 HA1 GLY 13 1.302 13.674 3.139 104 2HA GLY 13 HA2 GLY 13 1.503 14.040 4.841 105 H ILE 14 HN ILE 14 -0.394 11.186 4.124 106 HA ILE 14 HA ILE 14 -0.051 9.070 4.709 107 HB ILE 14 HB ILE 14 2.312 9.664 2.944 108 1HG1 ILE 14 HG12 ILE 14 0.996 9.057 1.193 109 2HG1 ILE 14 HG13 ILE 14 0.090 7.878 2.120 110 1HG2 ILE 14 HG21 ILE 14 1.654 6.855 3.057 111 2HG2 ILE 14 HG22 ILE 14 3.221 7.669 3.281 112 3HG2 ILE 14 HG23 ILE 14 2.124 7.455 4.666 113 1HD1 ILE 14 HD11 ILE 14 -1.379 9.753 1.554 114 2HD1 ILE 14 HD12 ILE 14 -1.090 9.758 3.311 115 3HD1 ILE 14 HD13 ILE 14 -0.228 10.910 2.263 116 H HIS 15 HN HIS 15 0.125 9.788 7.007 117 HA HIS 15 HA HIS 15 2.866 9.612 7.993 118 1HB HIS 15 HB2 HIS 15 1.566 10.333 10.175 119 2HB HIS 15 HB3 HIS 15 2.049 11.500 8.960 120 HD2 HIS 15 HD2 HIS 15 -0.069 12.659 7.475 121 HE1 HIS 15 HE1 HIS 15 -3.194 10.901 9.767 122 HE2 HIS 15 HE2 HIS 15 -2.562 12.684 8.001 123 H ALA 16 HN ALA 16 2.934 8.485 10.307 124 HA ALA 16 HA ALA 16 2.707 5.836 10.016 125 1HB ALA 16 HB1 ALA 16 1.958 6.621 12.731 126 2HB ALA 16 HB2 ALA 16 3.461 5.873 12.139 127 3HB ALA 16 HB3 ALA 16 3.266 7.641 12.086 128 H ARG 17 HN ARG 17 0.081 8.137 10.736 129 HA ARG 17 HA ARG 17 -1.770 6.281 11.597 130 1HB ARG 17 HB2 ARG 17 -1.788 9.079 10.574 131 2HB ARG 17 HB3 ARG 17 -3.296 8.225 10.314 132 1HG ARG 17 HG2 ARG 17 -3.368 9.356 12.492 133 2HG ARG 17 HG3 ARG 17 -3.378 7.622 12.740 134 1HD ARG 17 HD2 ARG 17 -1.645 7.998 14.182 135 2HD ARG 17 HD3 ARG 17 -0.656 8.147 12.743 136 HE ARG 17 HE ARG 17 -1.648 10.689 12.990 137 1HH1 ARG 17 HH22 ARG 17 -0.116 8.526 15.304 138 2HH1 ARG 17 HH21 ARG 17 0.564 9.810 16.247 139 1HH2 ARG 17 HH12 ARG 17 -0.752 12.383 14.234 140 2HH2 ARG 17 HH11 ARG 17 0.200 12.019 15.634 141 HA PRO 18 HA PRO 18 -3.365 5.941 7.183 142 1HB PRO 18 HB2 PRO 18 -2.661 7.737 5.247 143 2HB PRO 18 HB3 PRO 18 -4.085 7.921 6.252 144 1HG PRO 18 HG2 PRO 18 -1.511 9.366 6.404 145 2HG PRO 18 HG3 PRO 18 -3.060 9.809 7.092 146 1HD PRO 18 HD2 PRO 18 -0.815 8.698 8.491 147 2HD PRO 18 HD3 PRO 18 -2.402 9.033 9.154 148 H ALA 19 HN ALA 19 -0.045 6.854 7.403 149 HA ALA 19 HA ALA 19 0.829 5.497 5.111 150 1HB ALA 19 HB1 ALA 19 2.992 5.919 5.956 151 2HB ALA 19 HB2 ALA 19 2.009 7.246 6.621 152 3HB ALA 19 HB3 ALA 19 2.443 5.859 7.648 153 H THR 20 HN THR 20 0.554 4.513 8.590 154 HA THR 20 HA THR 20 1.452 1.854 8.025 155 HB THR 20 HB THR 20 -0.070 2.555 10.524 156 HG1 THR 20 HG1 THR 20 1.916 3.839 11.097 157 1HG2 THR 20 HG21 THR 20 2.370 1.805 11.357 158 2HG2 THR 20 HG22 THR 20 1.178 0.586 10.846 159 3HG2 THR 20 HG23 THR 20 2.461 1.100 9.725 160 H LEU 21 HN LEU 21 -1.721 3.485 8.427 161 HA LEU 21 HA LEU 21 -3.392 1.404 8.692 162 1HB LEU 21 HB2 LEU 21 -3.762 3.961 8.322 163 2HB LEU 21 HB3 LEU 21 -3.985 3.510 6.643 164 HG LEU 21 HG LEU 21 -5.561 2.185 8.851 165 1HD1 LEU 21 HD11 LEU 21 -6.614 4.088 9.292 166 2HD1 LEU 21 HD12 LEU 21 -5.732 4.945 8.005 167 3HD1 LEU 21 HD13 LEU 21 -7.233 4.069 7.623 168 1HD2 LEU 21 HD21 LEU 21 -5.410 1.912 5.994 169 2HD2 LEU 21 HD22 LEU 21 -6.362 0.977 7.173 170 3HD2 LEU 21 HD23 LEU 21 -7.038 2.462 6.460 171 H LEU 22 HN LEU 22 -1.998 2.553 5.542 172 HA LEU 22 HA LEU 22 -3.148 0.404 4.101 173 1HB LEU 22 HB2 LEU 22 -1.572 1.193 2.313 174 2HB LEU 22 HB3 LEU 22 -2.738 2.359 2.905 175 HG LEU 22 HG LEU 22 -0.485 2.790 4.501 176 1HD1 LEU 22 HD11 LEU 22 1.417 2.478 3.370 177 2HD1 LEU 22 HD12 LEU 22 0.472 1.353 2.364 178 3HD1 LEU 22 HD13 LEU 22 0.711 3.036 1.835 179 1HD2 LEU 22 HD21 LEU 22 -0.963 4.403 2.019 180 2HD2 LEU 22 HD22 LEU 22 -2.207 4.343 3.290 181 3HD2 LEU 22 HD23 LEU 22 -0.573 4.936 3.672 182 H VAL 23 HN VAL 23 0.335 1.142 4.855 183 HA VAL 23 HA VAL 23 1.375 -1.252 4.096 184 HB VAL 23 HB VAL 23 2.760 0.587 4.664 185 1HG1 VAL 23 HG11 VAL 23 2.345 0.436 7.605 186 2HG1 VAL 23 HG12 VAL 23 2.683 1.837 6.561 187 3HG1 VAL 23 HG13 VAL 23 1.034 1.174 6.654 188 1HG2 VAL 23 HG21 VAL 23 4.460 -0.452 5.992 189 2HG2 VAL 23 HG22 VAL 23 3.271 -1.496 6.808 190 3HG2 VAL 23 HG23 VAL 23 3.634 -1.740 5.083 191 H GLN 24 HN GLN 24 0.041 -0.371 7.353 192 HA GLN 24 HA GLN 24 0.556 -2.736 8.589 193 1HB GLN 24 HB2 GLN 24 -1.080 -2.078 10.217 194 2HB GLN 24 HB3 GLN 24 -0.379 -0.596 9.599 195 1HG GLN 24 HG2 GLN 24 -2.330 0.062 8.557 196 2HG GLN 24 HG3 GLN 24 -2.755 -1.571 8.081 197 1HE2 GLN 24 HE21 GLN 24 -2.103 0.086 11.171 198 2HE2 GLN 24 HE22 GLN 24 -3.552 -0.397 11.988 199 H THR 25 HN THR 25 -2.119 -1.859 6.363 200 HA THR 25 HA THR 25 -3.408 -4.422 6.752 201 HB THR 25 HB THR 25 -4.030 -1.761 5.666 202 HG1 THR 25 HG1 THR 25 -6.180 -2.795 6.174 203 1HG2 THR 25 HG21 THR 25 -4.726 -4.256 4.050 204 2HG2 THR 25 HG22 THR 25 -5.780 -2.822 4.058 205 3HG2 THR 25 HG23 THR 25 -4.113 -2.698 3.445 206 H ALA 26 HN ALA 26 -1.186 -2.842 4.464 207 HA ALA 26 HA ALA 26 -1.481 -4.943 2.531 208 1HB ALA 26 HB1 ALA 26 0.483 -2.635 2.829 209 2HB ALA 26 HB2 ALA 26 0.394 -3.717 1.418 210 3HB ALA 26 HB3 ALA 26 -0.983 -2.664 1.820 211 H SER 27 HN SER 27 0.621 -4.122 5.294 212 HA SER 27 HA SER 27 2.388 -6.290 4.601 213 1HB SER 27 HB2 SER 27 3.849 -5.445 6.285 214 2HB SER 27 HB3 SER 27 3.176 -4.026 5.509 215 HG SER 27 HG SER 27 2.681 -3.455 7.520 216 H LYS 28 HN LYS 28 -0.094 -7.354 4.986 217 HA LYS 28 HA LYS 28 0.313 -8.957 7.321 218 1HB LYS 28 HB2 LYS 28 -1.981 -8.466 8.249 219 2HB LYS 28 HB3 LYS 28 -0.775 -7.220 8.497 220 1HG LYS 28 HG2 LYS 28 -2.684 -6.017 7.755 221 2HG LYS 28 HG3 LYS 28 -1.678 -6.123 6.325 222 1HD LYS 28 HD2 LYS 28 -3.941 -6.695 5.664 223 2HD LYS 28 HD3 LYS 28 -2.991 -8.166 5.605 224 1HE LYS 28 HE2 LYS 28 -4.097 -7.829 8.282 225 2HE LYS 28 HE3 LYS 28 -5.381 -7.700 7.097 226 1HZ LYS 28 HZ1 LYS 28 -3.448 -9.904 7.295 227 2HZ LYS 28 HZ2 LYS 28 -5.030 -9.967 7.698 228 3HZ LYS 28 HZ3 LYS 28 -4.592 -9.776 6.136 229 H PHE 29 HN PHE 29 0.164 -9.051 4.299 230 HA PHE 29 HA PHE 29 -2.047 -10.979 4.144 231 1HB PHE 29 HB2 PHE 29 -0.749 -9.170 2.017 232 2HB PHE 29 HB3 PHE 29 -2.034 -10.312 1.679 233 HD1 PHE 29 HD1 PHE 29 -3.744 -9.809 4.113 234 HD2 PHE 29 HD2 PHE 29 -1.785 -7.139 1.460 235 HE1 PHE 29 HE1 PHE 29 -5.450 -8.043 4.630 236 HE2 PHE 29 HE2 PHE 29 -3.491 -5.373 1.977 237 HZ PHE 29 HZ PHE 29 -5.303 -5.846 3.556 238 H ASN 30 HN ASN 30 -1.578 -13.028 3.368 239 HA ASN 30 HA ASN 30 1.094 -13.797 3.396 240 1HB ASN 30 HB2 ASN 30 -1.533 -15.104 2.639 241 2HB ASN 30 HB3 ASN 30 -0.049 -15.931 2.208 242 1HD2 ASN 30 HD21 ASN 30 -2.318 -16.207 4.284 243 2HD2 ASN 30 HD22 ASN 30 -1.503 -16.570 5.769 244 H SER 31 HN SER 31 -0.641 -12.051 1.097 245 HA SER 31 HA SER 31 0.552 -13.349 -1.186 246 1HB SER 31 HB2 SER 31 -1.708 -11.518 -0.702 247 2HB SER 31 HB3 SER 31 -0.747 -11.036 -2.086 248 HG SER 31 HG SER 31 -1.937 -13.642 -1.646 249 H ASP 32 HN ASP 32 1.303 -11.474 -2.936 250 HA ASP 32 HA ASP 32 3.437 -10.145 -1.523 251 1HB ASP 32 HB2 ASP 32 2.871 -10.670 -4.473 252 2HB ASP 32 HB3 ASP 32 4.216 -9.679 -3.944 253 H ILE 33 HN ILE 33 1.874 -8.477 -0.622 254 HA ILE 33 HA ILE 33 0.869 -6.628 -2.653 255 HB ILE 33 HB ILE 33 -0.608 -7.654 -0.851 256 1HG1 ILE 33 HG12 ILE 33 -0.908 -5.470 -2.295 257 2HG1 ILE 33 HG13 ILE 33 -2.036 -5.878 -1.018 258 1HG2 ILE 33 HG21 ILE 33 -0.367 -5.850 1.204 259 2HG2 ILE 33 HG22 ILE 33 0.212 -7.533 1.226 260 3HG2 ILE 33 HG23 ILE 33 1.332 -6.212 0.814 261 1HD1 ILE 33 HD11 ILE 33 -1.258 -4.209 0.409 262 2HD1 ILE 33 HD12 ILE 33 0.384 -4.243 -0.276 263 3HD1 ILE 33 HD13 ILE 33 -0.936 -3.446 -1.166 264 H ASN 34 HN ASN 34 1.822 -4.680 -2.996 265 HA ASN 34 HA ASN 34 3.609 -3.741 -0.907 266 1HB ASN 34 HB2 ASN 34 4.252 -3.734 -3.904 267 2HB ASN 34 HB3 ASN 34 5.280 -3.082 -2.644 268 1HD2 ASN 34 HD21 ASN 34 6.300 -4.908 -4.314 269 2HD2 ASN 34 HD22 ASN 34 6.555 -6.435 -3.536 270 H LEU 35 HN LEU 35 4.349 -1.311 -1.708 271 HA LEU 35 HA LEU 35 1.943 -0.041 -2.819 272 1HB LEU 35 HB2 LEU 35 1.812 1.414 -1.134 273 2HB LEU 35 HB3 LEU 35 2.638 0.149 -0.246 274 HG LEU 35 HG LEU 35 4.787 1.266 -0.573 275 1HD1 LEU 35 HD11 LEU 35 3.226 2.886 -2.485 276 2HD1 LEU 35 HD12 LEU 35 4.359 3.798 -1.458 277 3HD1 LEU 35 HD13 LEU 35 4.954 2.459 -2.470 278 1HD2 LEU 35 HD21 LEU 35 2.517 2.453 0.843 279 2HD2 LEU 35 HD22 LEU 35 4.176 2.121 1.396 280 3HD2 LEU 35 HD23 LEU 35 3.819 3.615 0.496 281 H GLU 36 HN GLU 36 2.271 1.712 -4.253 282 HA GLU 36 HA GLU 36 5.063 2.078 -5.009 283 1HB GLU 36 HB2 GLU 36 4.153 0.693 -6.737 284 2HB GLU 36 HB3 GLU 36 2.649 1.592 -6.787 285 1HG GLU 36 HG2 GLU 36 3.496 2.994 -8.352 286 2HG GLU 36 HG3 GLU 36 4.800 3.454 -7.275 287 H TYR 37 HN TYR 37 5.416 4.098 -4.091 288 HA TYR 37 HA TYR 37 3.417 6.167 -4.666 289 1HB TYR 37 HB2 TYR 37 5.686 5.690 -2.655 290 2HB TYR 37 HB3 TYR 37 5.022 7.299 -2.856 291 HD1 TYR 37 HD1 TYR 37 4.474 7.155 -0.397 292 HD2 TYR 37 HD2 TYR 37 2.660 4.587 -3.298 293 HE1 TYR 37 HE1 TYR 37 2.620 6.594 1.249 294 HE2 TYR 37 HE2 TYR 37 0.812 4.034 -1.642 295 HH TYR 37 HH TYR 37 0.621 5.690 1.465 296 H LYS 38 HN LYS 38 4.020 8.154 -5.624 297 HA LYS 38 HA LYS 38 5.083 9.361 -7.146 298 1HB LYS 38 HB2 LYS 38 7.481 8.649 -5.431 299 2HB LYS 38 HB3 LYS 38 7.426 9.954 -6.598 300 1HG LYS 38 HG2 LYS 38 5.187 10.575 -5.186 301 2HG LYS 38 HG3 LYS 38 6.068 9.733 -3.927 302 1HD LYS 38 HD2 LYS 38 7.090 12.112 -5.549 303 2HD LYS 38 HD3 LYS 38 6.583 12.152 -3.872 304 1HE LYS 38 HE2 LYS 38 8.479 10.963 -3.121 305 2HE LYS 38 HE3 LYS 38 8.755 10.206 -4.677 306 1HZ LYS 38 HZ1 LYS 38 10.336 11.820 -4.633 307 2HZ LYS 38 HZ2 LYS 38 9.151 12.625 -5.417 308 3HZ LYS 38 HZ3 LYS 38 9.418 12.906 -3.831 309 H GLY 39 HN GLY 39 4.857 6.307 -7.492 310 1HA GLY 39 HA1 GLY 39 5.214 5.100 -9.414 311 2HA GLY 39 HA2 GLY 39 6.471 6.217 -9.908 312 H LYS 40 HN LYS 40 6.203 4.606 -6.694 313 HA LYS 40 HA LYS 40 8.462 2.904 -7.428 314 1HB LYS 40 HB2 LYS 40 9.774 4.427 -6.375 315 2HB LYS 40 HB3 LYS 40 8.455 5.103 -5.441 316 1HG LYS 40 HG2 LYS 40 8.553 3.360 -3.807 317 2HG LYS 40 HG3 LYS 40 9.467 2.298 -4.860 318 1HD LYS 40 HD2 LYS 40 11.470 3.237 -4.275 319 2HD LYS 40 HD3 LYS 40 10.843 4.870 -4.372 320 1HE LYS 40 HE2 LYS 40 9.546 3.734 -2.118 321 2HE LYS 40 HE3 LYS 40 11.200 3.164 -2.014 322 1HZ LYS 40 HZ1 LYS 40 10.398 5.972 -2.348 323 2HZ LYS 40 HZ2 LYS 40 10.933 5.294 -0.962 324 3HZ LYS 40 HZ3 LYS 40 11.938 5.438 -2.241 325 H SER 41 HN SER 41 7.652 0.885 -7.226 326 HA SER 41 HA SER 41 5.667 0.461 -5.168 327 1HB SER 41 HB2 SER 41 4.861 -1.252 -6.469 328 2HB SER 41 HB3 SER 41 5.687 -0.367 -7.737 329 HG SER 41 HG SER 41 6.618 -2.693 -6.299 330 H VAL 42 HN VAL 42 6.360 -0.237 -3.183 331 HA VAL 42 HA VAL 42 8.418 -2.282 -3.105 332 HB VAL 42 HB VAL 42 9.955 -1.135 -1.886 333 1HG1 VAL 42 HG11 VAL 42 8.675 1.151 -3.422 334 2HG1 VAL 42 HG12 VAL 42 10.367 1.047 -2.881 335 3HG1 VAL 42 HG13 VAL 42 9.758 -0.077 -4.119 336 1HG2 VAL 42 HG21 VAL 42 7.935 0.979 -1.078 337 2HG2 VAL 42 HG22 VAL 42 8.276 -0.485 -0.124 338 3HG2 VAL 42 HG23 VAL 42 9.563 0.712 -0.409 339 H ASN 43 HN ASN 43 8.201 -3.667 -1.314 340 HA ASN 43 HA ASN 43 5.810 -4.194 -0.365 341 1HB ASN 43 HB2 ASN 43 8.112 -4.330 1.611 342 2HB ASN 43 HB3 ASN 43 6.862 -5.522 1.312 343 1HD2 ASN 43 HD21 ASN 43 6.919 -6.784 -0.589 344 2HD2 ASN 43 HD22 ASN 43 8.396 -7.088 -1.441 345 H LEU 44 HN LEU 44 4.589 -2.212 0.081 346 HA LEU 44 HA LEU 44 4.983 -0.025 1.329 347 1HB LEU 44 HB2 LEU 44 2.852 -1.326 2.809 348 2HB LEU 44 HB3 LEU 44 2.799 0.029 1.699 349 HG LEU 44 HG LEU 44 2.949 -1.729 -0.182 350 1HD1 LEU 44 HD11 LEU 44 2.172 -3.522 2.134 351 2HD1 LEU 44 HD12 LEU 44 2.026 -3.951 0.412 352 3HD1 LEU 44 HD13 LEU 44 3.630 -3.643 1.120 353 1HD2 LEU 44 HD21 LEU 44 0.426 -2.271 0.166 354 2HD2 LEU 44 HD22 LEU 44 0.570 -1.185 1.570 355 3HD2 LEU 44 HD23 LEU 44 0.945 -0.584 -0.063 356 H LYS 45 HN LYS 45 5.199 -3.178 3.034 357 HA LYS 45 HA LYS 45 5.568 -2.105 5.592 358 1HB LYS 45 HB2 LYS 45 4.991 -4.505 4.860 359 2HB LYS 45 HB3 LYS 45 6.713 -4.725 4.621 360 1HG LYS 45 HG2 LYS 45 6.782 -3.604 7.098 361 2HG LYS 45 HG3 LYS 45 5.184 -4.320 7.175 362 1HD LYS 45 HD2 LYS 45 7.223 -6.141 6.026 363 2HD LYS 45 HD3 LYS 45 7.583 -5.654 7.670 364 1HE LYS 45 HE2 LYS 45 5.029 -6.228 8.116 365 2HE LYS 45 HE3 LYS 45 5.159 -7.148 6.631 366 1HZ LYS 45 HZ1 LYS 45 5.695 -8.500 8.510 367 2HZ LYS 45 HZ2 LYS 45 7.041 -8.309 7.606 368 3HZ LYS 45 HZ3 LYS 45 6.868 -7.475 8.999 369 H SER 46 HN SER 46 7.401 -1.613 2.844 370 HA SER 46 HA SER 46 9.942 -1.778 4.166 371 1HB SER 46 HB2 SER 46 9.416 -2.272 1.653 372 2HB SER 46 HB3 SER 46 9.419 -0.531 1.447 373 HG SER 46 HG SER 46 11.553 -0.559 1.459 374 H ILE 47 HN ILE 47 8.825 -0.161 5.835 375 HA ILE 47 HA ILE 47 8.188 2.395 5.361 376 HB ILE 47 HB ILE 47 8.729 0.889 7.551 377 1HG1 ILE 47 HG12 ILE 47 8.081 2.922 8.852 378 2HG1 ILE 47 HG13 ILE 47 8.264 3.881 7.397 379 1HG2 ILE 47 HG21 ILE 47 10.854 3.043 7.432 380 2HG2 ILE 47 HG22 ILE 47 10.369 2.179 8.910 381 3HG2 ILE 47 HG23 ILE 47 11.097 1.284 7.555 382 1HD1 ILE 47 HD11 ILE 47 6.543 2.517 6.245 383 2HD1 ILE 47 HD12 ILE 47 6.379 1.497 7.694 384 3HD1 ILE 47 HD13 ILE 47 5.897 3.209 7.752 385 H MET 48 HN MET 48 11.564 1.107 5.648 386 HA MET 48 HA MET 48 12.981 3.342 5.483 387 1HB MET 48 HB2 MET 48 13.998 1.100 5.554 388 2HB MET 48 HB3 MET 48 13.357 0.702 3.973 389 1HG MET 48 HG2 MET 48 14.762 2.931 3.293 390 2HG MET 48 HG3 MET 48 15.701 2.443 4.690 391 1HE MET 48 HE1 MET 48 13.743 -0.108 2.214 392 2HE MET 48 HE2 MET 48 14.106 1.436 1.407 393 3HE MET 48 HE3 MET 48 14.946 -0.050 0.904 394 H GLY 49 HN GLY 49 12.394 1.477 2.421 395 1HA GLY 49 HA1 GLY 49 13.007 3.517 0.671 396 2HA GLY 49 HA2 GLY 49 11.955 2.159 0.325 397 H VAL 50 HN VAL 50 9.791 2.609 2.092 398 HA VAL 50 HA VAL 50 8.336 4.512 0.642 399 HB VAL 50 HB VAL 50 7.921 2.534 2.680 400 1HG1 VAL 50 HG11 VAL 50 5.883 3.777 3.695 401 2HG1 VAL 50 HG12 VAL 50 7.504 4.115 4.348 402 3HG1 VAL 50 HG13 VAL 50 6.745 5.259 3.215 403 1HG2 VAL 50 HG21 VAL 50 6.147 2.046 1.381 404 2HG2 VAL 50 HG22 VAL 50 5.559 3.727 1.380 405 3HG2 VAL 50 HG23 VAL 50 6.846 3.233 0.254 406 H MET 51 HN MET 51 9.773 4.565 3.971 407 HA MET 51 HA MET 51 8.894 6.895 4.879 408 1HB MET 51 HB2 MET 51 11.476 5.378 5.061 409 2HB MET 51 HB3 MET 51 11.577 7.048 5.582 410 1HG MET 51 HG2 MET 51 9.209 5.524 6.604 411 2HG MET 51 HG3 MET 51 10.765 4.992 7.209 412 1HE MET 51 HE1 MET 51 9.897 9.485 7.214 413 2HE MET 51 HE2 MET 51 11.197 8.723 6.267 414 3HE MET 51 HE3 MET 51 9.496 8.329 5.921 415 H SER 52 HN SER 52 11.893 6.584 2.833 416 HA SER 52 HA SER 52 12.271 9.314 2.612 417 1HB SER 52 HB2 SER 52 13.951 8.784 1.017 418 2HB SER 52 HB3 SER 52 13.904 7.397 2.087 419 HG SER 52 HG SER 52 12.134 6.769 0.248 420 H LEU 53 HN LEU 53 9.911 7.207 1.199 421 HA LEU 53 HA LEU 53 9.478 8.969 -1.077 422 1HB LEU 53 HB2 LEU 53 9.364 6.264 -0.811 423 2HB LEU 53 HB3 LEU 53 7.676 6.685 -0.598 424 HG LEU 53 HG LEU 53 9.379 7.484 -2.975 425 1HD1 LEU 53 HD11 LEU 53 8.042 5.008 -2.351 426 2HD1 LEU 53 HD12 LEU 53 7.296 5.771 -3.776 427 3HD1 LEU 53 HD13 LEU 53 9.044 5.436 -3.758 428 1HD2 LEU 53 HD21 LEU 53 6.790 7.740 -3.774 429 2HD2 LEU 53 HD22 LEU 53 6.679 8.250 -2.072 430 3HD2 LEU 53 HD23 LEU 53 7.807 9.073 -3.176 431 H GLY 54 HN GLY 54 6.895 7.295 0.729 432 1HA GLY 54 HA1 GLY 54 5.023 8.071 1.699 433 2HA GLY 54 HA2 GLY 54 6.010 9.364 2.350 434 H VAL 55 HN VAL 55 3.194 9.452 1.357 435 HA VAL 55 HA VAL 55 3.606 11.583 -0.607 436 HB VAL 55 HB VAL 55 1.184 10.508 -1.317 437 1HG1 VAL 55 HG11 VAL 55 3.131 11.353 -2.722 438 2HG1 VAL 55 HG12 VAL 55 3.803 9.708 -2.610 439 3HG1 VAL 55 HG13 VAL 55 2.222 9.972 -3.384 440 1HG2 VAL 55 HG21 VAL 55 2.573 8.028 -1.651 441 2HG2 VAL 55 HG22 VAL 55 2.568 8.442 0.080 442 3HG2 VAL 55 HG23 VAL 55 1.033 8.342 -0.815 443 H GLY 56 HN GLY 56 1.072 12.551 -0.855 444 1HA GLY 56 HA1 GLY 56 -0.590 12.607 1.341 445 2HA GLY 56 HA2 GLY 56 0.653 13.796 1.675 446 H GLN 57 HN GLN 57 1.051 15.538 0.036 447 HA GLN 57 HA GLN 57 -1.108 16.940 -0.571 448 1HB GLN 57 HB2 GLN 57 0.252 18.260 -2.023 449 2HB GLN 57 HB3 GLN 57 1.355 17.579 -0.845 450 1HG GLN 57 HG2 GLN 57 1.451 15.603 -2.728 451 2HG GLN 57 HG3 GLN 57 1.078 16.965 -3.767 452 1HE2 GLN 57 HE21 GLN 57 3.518 15.225 -3.134 453 2HE2 GLN 57 HE22 GLN 57 4.825 16.346 -2.940 454 H GLY 58 HN GLY 58 -2.694 15.166 -1.148 455 1HA GLY 58 HA1 GLY 58 -3.904 13.960 -2.623 456 2HA GLY 58 HA2 GLY 58 -3.607 15.309 -3.701 457 H SER 59 HN SER 59 -0.605 13.977 -2.809 458 HA SER 59 HA SER 59 0.205 13.296 -5.235 459 1HB SER 59 HB2 SER 59 0.896 11.917 -2.605 460 2HB SER 59 HB3 SER 59 1.804 11.673 -4.084 461 HG SER 59 HG SER 59 2.274 13.965 -4.125 462 H ASP 60 HN ASP 60 0.752 11.000 -6.140 463 HA ASP 60 HA ASP 60 -1.653 9.390 -5.819 464 1HB ASP 60 HB2 ASP 60 -1.302 8.616 -8.096 465 2HB ASP 60 HB3 ASP 60 -1.210 10.366 -8.098 466 H VAL 61 HN VAL 61 -1.276 6.955 -6.040 467 HA VAL 61 HA VAL 61 1.451 6.069 -5.694 468 HB VAL 61 HB VAL 61 0.898 4.860 -3.602 469 1HG1 VAL 61 HG11 VAL 61 0.683 7.886 -3.451 470 2HG1 VAL 61 HG12 VAL 61 1.133 6.807 -2.110 471 3HG1 VAL 61 HG13 VAL 61 2.187 6.939 -3.538 472 1HG2 VAL 61 HG21 VAL 61 -1.475 6.707 -3.303 473 2HG2 VAL 61 HG22 VAL 61 -1.634 5.077 -4.001 474 3HG2 VAL 61 HG23 VAL 61 -1.040 5.278 -2.335 475 H THR 62 HN THR 62 1.239 3.480 -5.229 476 HA THR 62 HA THR 62 -1.059 2.378 -6.610 477 HB THR 62 HB THR 62 1.666 2.733 -7.818 478 HG1 THR 62 HG1 THR 62 0.162 3.468 -9.263 479 1HG2 THR 62 HG21 THR 62 0.732 0.651 -9.316 480 2HG2 THR 62 HG22 THR 62 1.925 0.427 -8.014 481 3HG2 THR 62 HG23 THR 62 0.201 0.110 -7.705 482 H ILE 63 HN ILE 63 -1.526 0.296 -6.006 483 HA ILE 63 HA ILE 63 0.391 -0.867 -4.107 484 HB ILE 63 HB ILE 63 -2.216 -0.018 -3.650 485 1HG1 ILE 63 HG12 ILE 63 -1.669 -1.717 -1.563 486 2HG1 ILE 63 HG13 ILE 63 -0.067 -1.438 -2.216 487 1HG2 ILE 63 HG21 ILE 63 -2.317 -2.997 -3.361 488 2HG2 ILE 63 HG22 ILE 63 -3.639 -1.809 -3.453 489 3HG2 ILE 63 HG23 ILE 63 -2.740 -2.255 -4.923 490 1HD1 ILE 63 HD11 ILE 63 -0.021 0.705 -1.461 491 2HD1 ILE 63 HD12 ILE 63 -1.646 1.044 -2.102 492 3HD1 ILE 63 HD13 ILE 63 -1.461 0.279 -0.506 493 H THR 64 HN THR 64 0.416 -3.264 -4.033 494 HA THR 64 HA THR 64 -0.635 -4.527 -6.451 495 HB THR 64 HB THR 64 2.250 -4.989 -5.629 496 HG1 THR 64 HG1 THR 64 1.283 -3.030 -7.566 497 1HG2 THR 64 HG21 THR 64 2.188 -6.217 -7.555 498 2HG2 THR 64 HG22 THR 64 0.501 -5.727 -7.840 499 3HG2 THR 64 HG23 THR 64 1.836 -4.719 -8.449 500 H VAL 65 HN VAL 65 -0.970 -6.780 -6.283 501 HA VAL 65 HA VAL 65 -0.392 -7.958 -3.688 502 HB VAL 65 HB VAL 65 -2.652 -6.792 -3.664 503 1HG1 VAL 65 HG11 VAL 65 -4.096 -8.980 -4.865 504 2HG1 VAL 65 HG12 VAL 65 -4.186 -7.238 -5.219 505 3HG1 VAL 65 HG13 VAL 65 -2.993 -8.256 -6.060 506 1HG2 VAL 65 HG21 VAL 65 -3.767 -9.017 -2.753 507 2HG2 VAL 65 HG22 VAL 65 -2.119 -9.655 -2.959 508 3HG2 VAL 65 HG23 VAL 65 -2.404 -8.251 -1.903 509 H ASP 66 HN ASP 66 0.841 -9.660 -4.327 510 HA ASP 66 HA ASP 66 -0.289 -11.272 -6.475 511 1HB ASP 66 HB2 ASP 66 2.598 -11.600 -6.230 512 2HB ASP 66 HB3 ASP 66 1.655 -11.190 -7.649 513 H GLY 67 HN GLY 67 -0.732 -13.340 -5.694 514 1HA GLY 67 HA1 GLY 67 0.737 -15.181 -4.564 515 2HA GLY 67 HA2 GLY 67 0.503 -14.155 -3.163 516 H ALA 68 HN ALA 68 -1.011 -15.092 -1.853 517 HA ALA 68 HA ALA 68 -3.283 -16.408 -3.133 518 1HB ALA 68 HB1 ALA 68 -3.643 -17.260 -0.768 519 2HB ALA 68 HB2 ALA 68 -2.116 -17.769 -1.530 520 3HB ALA 68 HB3 ALA 68 -2.116 -16.458 -0.326 521 H ASP 69 HN ASP 69 -2.759 -14.368 -0.165 522 HA ASP 69 HA ASP 69 -5.188 -13.575 0.343 523 1HB ASP 69 HB2 ASP 69 -2.582 -12.528 0.781 524 2HB ASP 69 HB3 ASP 69 -3.522 -11.169 0.200 525 H GLU 70 HN GLU 70 -3.154 -12.467 -2.409 526 HA GLU 70 HA GLU 70 -3.613 -10.681 -3.781 527 1HB GLU 70 HB2 GLU 70 -5.678 -12.680 -4.747 528 2HB GLU 70 HB3 GLU 70 -4.589 -11.694 -5.702 529 1HG GLU 70 HG2 GLU 70 -2.737 -13.074 -5.287 530 2HG GLU 70 HG3 GLU 70 -3.368 -13.650 -3.757 531 H ALA 71 HN ALA 71 -6.925 -12.126 -3.671 532 HA ALA 71 HA ALA 71 -8.231 -9.707 -3.930 533 1HB ALA 71 HB1 ALA 71 -10.100 -11.220 -2.715 534 2HB ALA 71 HB2 ALA 71 -9.599 -11.490 -4.402 535 3HB ALA 71 HB3 ALA 71 -8.920 -12.496 -3.100 536 H GLU 72 HN GLU 72 -8.301 -11.714 -0.904 537 HA GLU 72 HA GLU 72 -9.212 -9.832 0.750 538 1HB GLU 72 HB2 GLU 72 -7.101 -11.309 2.110 539 2HB GLU 72 HB3 GLU 72 -8.839 -11.443 2.293 540 1HG GLU 72 HG2 GLU 72 -8.936 -12.891 0.247 541 2HG GLU 72 HG3 GLU 72 -7.195 -12.769 0.084 542 H GLY 73 HN GLY 73 -5.720 -10.410 -0.055 543 1HA GLY 73 HA1 GLY 73 -4.513 -8.563 1.553 544 2HA GLY 73 HA2 GLY 73 -3.966 -8.998 -0.054 545 H MET 74 HN MET 74 -4.936 -7.812 -1.952 546 HA MET 74 HA MET 74 -4.748 -5.104 -1.576 547 1HB MET 74 HB2 MET 74 -5.814 -5.038 -3.923 548 2HB MET 74 HB3 MET 74 -4.417 -6.086 -3.777 549 1HG MET 74 HG2 MET 74 -5.657 -7.881 -4.405 550 2HG MET 74 HG3 MET 74 -6.754 -7.629 -3.062 551 1HE MET 74 HE1 MET 74 -8.726 -7.273 -3.098 552 2HE MET 74 HE2 MET 74 -9.408 -5.783 -3.793 553 3HE MET 74 HE3 MET 74 -9.751 -7.358 -4.550 554 H ALA 75 HN ALA 75 -7.552 -7.280 -1.354 555 HA ALA 75 HA ALA 75 -9.646 -5.587 -1.724 556 1HB ALA 75 HB1 ALA 75 -10.670 -7.060 0.208 557 2HB ALA 75 HB2 ALA 75 -10.192 -7.819 -1.329 558 3HB ALA 75 HB3 ALA 75 -9.126 -7.938 0.091 559 H ALA 76 HN ALA 76 -7.905 -6.180 1.417 560 HA ALA 76 HA ALA 76 -9.288 -4.205 2.822 561 1HB ALA 76 HB1 ALA 76 -7.117 -6.072 3.220 562 2HB ALA 76 HB2 ALA 76 -6.676 -4.490 3.906 563 3HB ALA 76 HB3 ALA 76 -8.170 -5.302 4.431 564 H ILE 77 HN ILE 77 -5.982 -4.139 1.304 565 HA ILE 77 HA ILE 77 -5.324 -1.567 1.862 566 HB ILE 77 HB ILE 77 -4.552 -3.609 -0.030 567 1HG1 ILE 77 HG12 ILE 77 -3.118 -3.163 1.770 568 2HG1 ILE 77 HG13 ILE 77 -2.303 -2.486 0.374 569 1HG2 ILE 77 HG21 ILE 77 -3.412 -2.032 -1.624 570 2HG2 ILE 77 HG22 ILE 77 -5.180 -2.145 -1.796 571 3HG2 ILE 77 HG23 ILE 77 -4.453 -0.739 -0.981 572 1HD1 ILE 77 HD11 ILE 77 -3.338 -1.128 2.767 573 2HD1 ILE 77 HD12 ILE 77 -2.163 -0.554 1.560 574 3HD1 ILE 77 HD13 ILE 77 -3.907 -0.365 1.263 575 H VAL 78 HN VAL 78 -7.076 -2.688 -1.122 576 HA VAL 78 HA VAL 78 -7.537 -0.242 -2.227 577 HB VAL 78 HB VAL 78 -9.491 -2.547 -2.160 578 1HG1 VAL 78 HG11 VAL 78 -9.864 -0.133 -3.301 579 2HG1 VAL 78 HG12 VAL 78 -8.989 -0.948 -4.619 580 3HG1 VAL 78 HG13 VAL 78 -10.500 -1.646 -3.989 581 1HG2 VAL 78 HG21 VAL 78 -7.728 -2.564 -4.449 582 2HG2 VAL 78 HG22 VAL 78 -6.780 -2.627 -2.944 583 3HG2 VAL 78 HG23 VAL 78 -8.042 -3.844 -3.253 584 H GLU 79 HN GLU 79 -9.846 -2.025 -0.048 585 HA GLU 79 HA GLU 79 -11.623 0.027 0.197 586 1HB GLU 79 HB2 GLU 79 -11.021 -2.486 1.591 587 2HB GLU 79 HB3 GLU 79 -11.660 -1.281 2.691 588 1HG GLU 79 HG2 GLU 79 -13.167 -1.230 0.193 589 2HG GLU 79 HG3 GLU 79 -13.116 -2.866 0.820 590 H THR 80 HN THR 80 -8.554 -0.581 1.943 591 HA THR 80 HA THR 80 -8.976 1.430 3.908 592 HB THR 80 HB THR 80 -7.032 -0.618 3.188 593 HG1 THR 80 HG1 THR 80 -7.822 1.144 5.368 594 1HG2 THR 80 HG21 THR 80 -5.559 1.296 2.518 595 2HG2 THR 80 HG22 THR 80 -5.922 2.102 4.063 596 3HG2 THR 80 HG23 THR 80 -5.014 0.571 4.050 597 H LEU 81 HN LEU 81 -6.923 1.332 0.916 598 HA LEU 81 HA LEU 81 -5.865 3.783 0.971 599 1HB LEU 81 HB2 LEU 81 -6.926 2.079 -1.237 600 2HB LEU 81 HB3 LEU 81 -6.400 3.707 -1.617 601 HG LEU 81 HG LEU 81 -4.785 1.571 -1.714 602 1HD1 LEU 81 HD11 LEU 81 -3.786 4.272 -0.781 603 2HD1 LEU 81 HD12 LEU 81 -2.930 3.071 -1.779 604 3HD1 LEU 81 HD13 LEU 81 -4.344 3.931 -2.437 605 1HD2 LEU 81 HD21 LEU 81 -4.266 2.673 1.060 606 2HD2 LEU 81 HD22 LEU 81 -5.052 1.114 0.714 607 3HD2 LEU 81 HD23 LEU 81 -3.364 1.389 0.221 608 H GLN 82 HN GLN 82 -9.277 2.976 0.154 609 HA GLN 82 HA GLN 82 -9.797 5.809 -0.119 610 1HB GLN 82 HB2 GLN 82 -12.137 4.926 -0.771 611 2HB GLN 82 HB3 GLN 82 -10.818 4.588 -1.873 612 1HG GLN 82 HG2 GLN 82 -10.917 2.328 -1.505 613 2HG GLN 82 HG3 GLN 82 -11.127 2.519 0.225 614 1HE2 GLN 82 HE21 GLN 82 -13.078 4.029 -2.294 615 2HE2 GLN 82 HE22 GLN 82 -14.569 3.214 -1.957 616 H LYS 83 HN LYS 83 -9.885 3.276 2.219 617 HA LYS 83 HA LYS 83 -12.134 4.265 3.685 618 1HB LYS 83 HB2 LYS 83 -12.014 2.219 4.540 619 2HB LYS 83 HB3 LYS 83 -10.539 1.917 3.643 620 1HG LYS 83 HG2 LYS 83 -9.167 2.826 5.460 621 2HG LYS 83 HG3 LYS 83 -10.589 3.371 6.326 622 1HD LYS 83 HD2 LYS 83 -9.407 1.057 6.950 623 2HD LYS 83 HD3 LYS 83 -11.146 1.236 7.059 624 1HE LYS 83 HE2 LYS 83 -11.241 0.388 4.609 625 2HE LYS 83 HE3 LYS 83 -9.556 -0.054 4.801 626 1HZ LYS 83 HZ1 LYS 83 -11.827 -1.383 5.755 627 2HZ LYS 83 HZ2 LYS 83 -10.273 -1.885 5.758 628 3HZ LYS 83 HZ3 LYS 83 -10.852 -1.016 7.014 629 H GLU 84 HN GLU 84 -8.577 4.671 3.695 630 HA GLU 84 HA GLU 84 -8.814 6.332 6.046 631 1HB GLU 84 HB2 GLU 84 -6.138 6.341 5.041 632 2HB GLU 84 HB3 GLU 84 -6.748 5.536 6.472 633 1HG GLU 84 HG2 GLU 84 -5.983 3.678 5.313 634 2HG GLU 84 HG3 GLU 84 -7.619 3.732 4.688 635 H GLY 85 HN GLY 85 -9.491 6.769 2.887 636 1HA GLY 85 HA1 GLY 85 -9.635 8.560 1.539 637 2HA GLY 85 HA2 GLY 85 -9.349 9.561 2.949 638 H LEU 86 HN LEU 86 -6.788 7.339 2.703 639 HA LEU 86 HA LEU 86 -4.992 9.403 1.907 640 1HB LEU 86 HB2 LEU 86 -4.199 8.003 3.575 641 2HB LEU 86 HB3 LEU 86 -4.757 6.547 2.776 642 HG LEU 86 HG LEU 86 -2.583 8.207 1.525 643 1HD1 LEU 86 HD11 LEU 86 -2.333 6.383 3.902 644 2HD1 LEU 86 HD12 LEU 86 -0.999 6.552 2.736 645 3HD1 LEU 86 HD13 LEU 86 -1.600 7.979 3.614 646 1HD2 LEU 86 HD21 LEU 86 -1.874 5.878 0.773 647 2HD2 LEU 86 HD22 LEU 86 -3.451 5.319 1.380 648 3HD2 LEU 86 HD23 LEU 86 -3.376 6.531 0.078 649 H ALA 87 HN ALA 87 -6.973 7.131 0.249 650 HA ALA 87 HA ALA 87 -5.762 7.896 -2.242 651 1HB ALA 87 HB1 ALA 87 -4.368 6.098 -2.260 652 2HB ALA 87 HB2 ALA 87 -5.286 5.247 -0.994 653 3HB ALA 87 HB3 ALA 87 -5.842 5.195 -2.685 654 H GLU 88 HN GLU 88 -7.114 6.996 -4.112 655 HA GLU 88 HA GLU 88 -9.817 7.400 -3.429 656 1HB GLU 88 HB2 GLU 88 -8.639 6.438 -6.072 657 2HB GLU 88 HB3 GLU 88 -10.229 7.138 -5.843 658 1HG GLU 88 HG2 GLU 88 -8.806 9.151 -4.762 659 2HG GLU 88 HG3 GLU 88 -7.531 8.485 -5.763 660 H GLN 89 HN GLN 89 -11.234 5.616 -5.117 661 HA GLN 89 HA GLN 89 -11.557 3.476 -3.418 662 1HB GLN 89 HB2 GLN 89 -13.292 4.307 -4.983 663 2HB GLN 89 HB3 GLN 89 -12.352 3.746 -6.351 664 1HG GLN 89 HG2 GLN 89 -12.457 1.391 -5.261 665 2HG GLN 89 HG3 GLN 89 -13.675 2.054 -4.190 666 1HE2 GLN 89 HE21 GLN 89 -13.964 -0.047 -6.113 667 2HE2 GLN 89 HE22 GLN 89 -15.166 0.428 -7.266 Start of MODEL 13 1 H MET 1 HN MET 1 0.404 -12.031 -7.491 2 HA MET 1 HA MET 1 -0.640 -12.712 -9.271 3 1HB MET 1 HB2 MET 1 -3.217 -11.835 -7.851 4 2HB MET 1 HB3 MET 1 -3.126 -12.977 -9.176 5 1HG MET 1 HG2 MET 1 -1.327 -14.074 -7.353 6 2HG MET 1 HG3 MET 1 -2.540 -13.385 -6.292 7 1HE MET 1 HE1 MET 1 -5.196 -13.625 -6.991 8 2HE MET 1 HE2 MET 1 -4.919 -13.555 -8.748 9 3HE MET 1 HE3 MET 1 -5.805 -14.928 -8.040 10 H GLU 2 HN GLU 2 -1.961 -9.599 -8.018 11 HA GLU 2 HA GLU 2 -1.548 -8.498 -10.642 12 1HB GLU 2 HB2 GLU 2 -4.243 -8.158 -9.264 13 2HB GLU 2 HB3 GLU 2 -3.787 -7.562 -10.847 14 1HG GLU 2 HG2 GLU 2 -3.415 -9.977 -11.573 15 2HG GLU 2 HG3 GLU 2 -4.055 -10.491 -10.025 16 H LYS 3 HN LYS 3 -2.070 -5.976 -10.515 17 HA LYS 3 HA LYS 3 -1.249 -5.063 -7.845 18 1HB LYS 3 HB2 LYS 3 0.571 -4.095 -8.682 19 2HB LYS 3 HB3 LYS 3 0.286 -4.976 -10.168 20 1HG LYS 3 HG2 LYS 3 -1.357 -3.008 -10.762 21 2HG LYS 3 HG3 LYS 3 -0.538 -2.134 -9.483 22 1HD LYS 3 HD2 LYS 3 0.564 -1.613 -11.597 23 2HD LYS 3 HD3 LYS 3 1.664 -2.567 -10.621 24 1HE LYS 3 HE2 LYS 3 1.724 -4.234 -12.167 25 2HE LYS 3 HE3 LYS 3 -0.025 -4.328 -12.230 26 1HZ LYS 3 HZ1 LYS 3 -0.104 -2.912 -13.962 27 2HZ LYS 3 HZ2 LYS 3 1.214 -2.055 -13.519 28 3HZ LYS 3 HZ3 LYS 3 1.390 -3.506 -14.248 29 H LYS 4 HN LYS 4 -2.063 -2.974 -7.191 30 HA LYS 4 HA LYS 4 -4.246 -1.981 -8.869 31 1HB LYS 4 HB2 LYS 4 -5.097 -3.549 -7.080 32 2HB LYS 4 HB3 LYS 4 -4.504 -2.416 -5.883 33 1HG LYS 4 HG2 LYS 4 -6.794 -1.817 -6.200 34 2HG LYS 4 HG3 LYS 4 -5.891 -0.605 -7.088 35 1HD LYS 4 HD2 LYS 4 -6.236 -1.922 -9.203 36 2HD LYS 4 HD3 LYS 4 -7.177 -3.096 -8.305 37 1HE LYS 4 HE2 LYS 4 -8.764 -1.236 -7.629 38 2HE LYS 4 HE3 LYS 4 -7.857 -0.137 -8.649 39 1HZ LYS 4 HZ1 LYS 4 -9.890 -1.679 -9.463 40 2HZ LYS 4 HZ2 LYS 4 -8.792 -0.985 -10.453 41 3HZ LYS 4 HZ3 LYS 4 -8.602 -2.537 -9.983 42 H GLU 5 HN GLU 5 -3.711 0.062 -9.404 43 HA GLU 5 HA GLU 5 -1.911 1.483 -7.688 44 1HB GLU 5 HB2 GLU 5 -3.232 2.467 -10.250 45 2HB GLU 5 HB3 GLU 5 -1.790 3.111 -9.491 46 1HG GLU 5 HG2 GLU 5 -0.611 1.720 -10.849 47 2HG GLU 5 HG3 GLU 5 -1.140 0.415 -9.806 48 H PHE 6 HN PHE 6 -2.373 3.743 -6.951 49 HA PHE 6 HA PHE 6 -5.137 4.528 -6.893 50 1HB PHE 6 HB2 PHE 6 -3.525 3.863 -4.357 51 2HB PHE 6 HB3 PHE 6 -5.153 4.511 -4.367 52 HD1 PHE 6 HD1 PHE 6 -7.052 3.098 -4.843 53 HD2 PHE 6 HD2 PHE 6 -3.112 1.529 -4.985 54 HE1 PHE 6 HE1 PHE 6 -7.981 0.766 -4.853 55 HE2 PHE 6 HE2 PHE 6 -4.040 -0.803 -4.996 56 HZ PHE 6 HZ PHE 6 -6.464 -1.157 -4.929 57 H HIS 7 HN HIS 7 -5.169 6.508 -5.056 58 HA HIS 7 HA HIS 7 -2.696 7.993 -5.279 59 1HB HIS 7 HB2 HIS 7 -3.434 9.020 -7.140 60 2HB HIS 7 HB3 HIS 7 -5.100 8.546 -6.879 61 HD1 HIS 7 HD1 HIS 7 -3.404 11.507 -7.341 62 HD2 HIS 7 HD2 HIS 7 -5.930 10.208 -4.254 63 HE1 HIS 7 HE1 HIS 7 -4.281 13.614 -6.201 64 H ILE 8 HN ILE 8 -2.361 9.336 -3.513 65 HA ILE 8 HA ILE 8 -3.985 8.895 -1.265 66 HB ILE 8 HB ILE 8 -1.825 10.940 -1.791 67 1HG1 ILE 8 HG12 ILE 8 -0.605 9.042 -1.952 68 2HG1 ILE 8 HG13 ILE 8 -0.659 9.126 -0.202 69 1HG2 ILE 8 HG21 ILE 8 -3.013 11.760 0.063 70 2HG2 ILE 8 HG22 ILE 8 -3.260 10.132 0.739 71 3HG2 ILE 8 HG23 ILE 8 -1.638 10.865 0.752 72 1HD1 ILE 8 HD11 ILE 8 -2.754 7.676 -0.271 73 2HD1 ILE 8 HD12 ILE 8 -2.464 7.466 -2.015 74 3HD1 ILE 8 HD13 ILE 8 -1.271 6.871 -0.836 75 H VAL 9 HN VAL 9 -5.850 9.837 -0.630 76 HA VAL 9 HA VAL 9 -6.491 12.427 -1.865 77 HB VAL 9 HB VAL 9 -8.880 11.661 -1.673 78 1HG1 VAL 9 HG11 VAL 9 -7.556 9.749 -3.536 79 2HG1 VAL 9 HG12 VAL 9 -8.851 10.933 -3.833 80 3HG1 VAL 9 HG13 VAL 9 -7.158 11.473 -3.727 81 1HG2 VAL 9 HG21 VAL 9 -9.113 9.097 -1.742 82 2HG2 VAL 9 HG22 VAL 9 -7.492 9.060 -1.007 83 3HG2 VAL 9 HG23 VAL 9 -8.836 9.862 -0.159 84 H ALA 10 HN ALA 10 -5.437 10.989 0.895 85 HA ALA 10 HA ALA 10 -7.302 12.255 2.711 86 1HB ALA 10 HB1 ALA 10 -4.820 10.533 3.024 87 2HB ALA 10 HB2 ALA 10 -5.658 11.272 4.409 88 3HB ALA 10 HB3 ALA 10 -6.511 10.102 3.374 89 H GLU 11 HN GLU 11 -4.454 13.040 0.911 90 HA GLU 11 HA GLU 11 -2.967 14.636 1.036 91 1HB GLU 11 HB2 GLU 11 -3.858 16.879 1.252 92 2HB GLU 11 HB3 GLU 11 -5.086 15.883 0.497 93 1HG GLU 11 HG2 GLU 11 -6.345 15.696 2.555 94 2HG GLU 11 HG3 GLU 11 -5.022 16.340 3.508 95 H THR 12 HN THR 12 -3.568 12.967 3.616 96 HA THR 12 HA THR 12 -2.959 14.679 5.795 97 HB THR 12 HB THR 12 -4.128 12.352 5.745 98 HG1 THR 12 HG1 THR 12 -3.599 13.081 7.801 99 1HG2 THR 12 HG21 THR 12 -2.684 10.415 6.005 100 2HG2 THR 12 HG22 THR 12 -2.175 11.217 4.499 101 3HG2 THR 12 HG23 THR 12 -1.222 11.430 5.988 102 H GLY 13 HN GLY 13 -0.938 12.254 4.001 103 1HA GLY 13 HA1 GLY 13 1.258 13.369 3.348 104 2HA GLY 13 HA2 GLY 13 1.434 13.645 5.069 105 H ILE 14 HN ILE 14 -0.346 10.759 4.377 106 HA ILE 14 HA ILE 14 0.131 8.653 4.926 107 HB ILE 14 HB ILE 14 2.226 9.331 2.875 108 1HG1 ILE 14 HG12 ILE 14 0.702 8.737 1.301 109 2HG1 ILE 14 HG13 ILE 14 -0.040 7.506 2.303 110 1HG2 ILE 14 HG21 ILE 14 2.295 7.088 4.568 111 2HG2 ILE 14 HG22 ILE 14 1.648 6.509 3.014 112 3HG2 ILE 14 HG23 ILE 14 3.214 7.354 3.067 113 1HD1 ILE 14 HD11 ILE 14 -1.111 9.312 3.689 114 2HD1 ILE 14 HD12 ILE 14 -0.421 10.522 2.581 115 3HD1 ILE 14 HD13 ILE 14 -1.621 9.350 1.984 116 H HIS 15 HN HIS 15 0.636 9.577 7.174 117 HA HIS 15 HA HIS 15 3.476 9.344 7.777 118 1HB HIS 15 HB2 HIS 15 2.507 10.145 10.096 119 2HB HIS 15 HB3 HIS 15 2.815 11.271 8.789 120 HD2 HIS 15 HD2 HIS 15 0.500 12.378 7.568 121 HE1 HIS 15 HE1 HIS 15 -2.252 10.762 10.384 122 HE2 HIS 15 HE2 HIS 15 -1.886 12.455 8.460 123 H ALA 16 HN ALA 16 3.741 8.349 10.200 124 HA ALA 16 HA ALA 16 3.555 5.683 10.023 125 1HB ALA 16 HB1 ALA 16 4.378 5.759 12.132 126 2HB ALA 16 HB2 ALA 16 4.317 7.526 11.934 127 3HB ALA 16 HB3 ALA 16 2.980 6.675 12.743 128 H ARG 17 HN ARG 17 0.951 7.961 10.931 129 HA ARG 17 HA ARG 17 -0.784 6.025 11.903 130 1HB ARG 17 HB2 ARG 17 -0.929 8.877 11.053 131 2HB ARG 17 HB3 ARG 17 -2.446 8.015 10.892 132 1HG ARG 17 HG2 ARG 17 -2.329 9.011 13.127 133 2HG ARG 17 HG3 ARG 17 -2.270 7.266 13.277 134 1HD ARG 17 HD2 ARG 17 -0.409 7.615 14.558 135 2HD ARG 17 HD3 ARG 17 0.425 7.879 13.039 136 HE ARG 17 HE ARG 17 -0.576 10.369 13.510 137 1HH1 ARG 17 HH22 ARG 17 1.122 8.126 15.623 138 2HH1 ARG 17 HH21 ARG 17 1.830 9.374 16.593 139 1HH2 ARG 17 HH12 ARG 17 0.357 12.017 14.789 140 2HH2 ARG 17 HH11 ARG 17 1.392 11.603 16.115 141 HA PRO 18 HA PRO 18 -2.742 5.948 7.612 142 1HB PRO 18 HB2 PRO 18 -2.084 7.784 5.697 143 2HB PRO 18 HB3 PRO 18 -3.429 7.990 6.801 144 1HG PRO 18 HG2 PRO 18 -0.787 9.316 6.830 145 2HG PRO 18 HG3 PRO 18 -2.267 9.799 7.636 146 1HD PRO 18 HD2 PRO 18 0.012 8.541 8.841 147 2HD PRO 18 HD3 PRO 18 -1.511 8.918 9.621 148 H ALA 19 HN ALA 19 0.622 6.801 7.537 149 HA ALA 19 HA ALA 19 1.306 5.511 5.184 150 1HB ALA 19 HB1 ALA 19 2.978 5.681 7.718 151 2HB ALA 19 HB2 ALA 19 3.554 5.613 6.035 152 3HB ALA 19 HB3 ALA 19 2.705 7.061 6.627 153 H THR 20 HN THR 20 1.298 4.257 8.596 154 HA THR 20 HA THR 20 1.905 1.602 7.737 155 HB THR 20 HB THR 20 0.680 2.154 10.421 156 HG1 THR 20 HG1 THR 20 2.515 3.490 10.945 157 1HG2 THR 20 HG21 THR 20 3.484 1.165 9.758 158 2HG2 THR 20 HG22 THR 20 2.514 0.837 11.213 159 3HG2 THR 20 HG23 THR 20 2.087 0.066 9.667 160 H LEU 21 HN LEU 21 -1.070 3.456 8.405 161 HA LEU 21 HA LEU 21 -2.910 1.550 8.778 162 1HB LEU 21 HB2 LEU 21 -3.131 4.083 8.476 163 2HB LEU 21 HB3 LEU 21 -3.322 3.750 6.766 164 HG LEU 21 HG LEU 21 -5.123 2.847 9.024 165 1HD1 LEU 21 HD11 LEU 21 -6.803 4.217 7.974 166 2HD1 LEU 21 HD12 LEU 21 -5.346 5.198 8.259 167 3HD1 LEU 21 HD13 LEU 21 -5.709 4.599 6.623 168 1HD2 LEU 21 HD21 LEU 21 -5.011 0.991 7.528 169 2HD2 LEU 21 HD22 LEU 21 -6.542 1.844 7.217 170 3HD2 LEU 21 HD23 LEU 21 -5.167 2.049 6.105 171 H LEU 22 HN LEU 22 -1.545 2.503 5.555 172 HA LEU 22 HA LEU 22 -2.974 0.425 4.231 173 1HB LEU 22 HB2 LEU 22 -1.466 1.092 2.321 174 2HB LEU 22 HB3 LEU 22 -2.557 2.311 2.948 175 HG LEU 22 HG LEU 22 -0.128 2.616 4.375 176 1HD1 LEU 22 HD11 LEU 22 1.580 2.810 2.766 177 2HD1 LEU 22 HD12 LEU 22 0.815 1.232 2.458 178 3HD1 LEU 22 HD13 LEU 22 0.442 2.621 1.410 179 1HD2 LEU 22 HD21 LEU 22 -1.200 4.293 2.092 180 2HD2 LEU 22 HD22 LEU 22 -1.803 4.352 3.765 181 3HD2 LEU 22 HD23 LEU 22 -0.122 4.817 3.408 182 H VAL 23 HN VAL 23 0.486 0.955 5.183 183 HA VAL 23 HA VAL 23 1.427 -1.472 4.230 184 HB VAL 23 HB VAL 23 3.375 -0.859 5.186 185 1HG1 VAL 23 HG11 VAL 23 2.355 1.812 5.942 186 2HG1 VAL 23 HG12 VAL 23 3.622 1.350 4.780 187 3HG1 VAL 23 HG13 VAL 23 1.907 1.266 4.308 188 1HG2 VAL 23 HG21 VAL 23 3.046 -1.364 7.442 189 2HG2 VAL 23 HG22 VAL 23 3.432 0.373 7.470 190 3HG2 VAL 23 HG23 VAL 23 1.742 -0.165 7.625 191 H GLN 24 HN GLN 24 0.003 -0.561 7.422 192 HA GLN 24 HA GLN 24 0.468 -2.973 8.659 193 1HB GLN 24 HB2 GLN 24 -1.210 -2.267 10.277 194 2HB GLN 24 HB3 GLN 24 -0.282 -0.865 9.783 195 1HG GLN 24 HG2 GLN 24 -2.045 0.026 8.490 196 2HG GLN 24 HG3 GLN 24 -2.812 -1.534 8.267 197 1HE2 GLN 24 HE21 GLN 24 -4.489 -2.019 9.465 198 2HE2 GLN 24 HE22 GLN 24 -4.975 -1.253 10.941 199 H THR 25 HN THR 25 -2.179 -1.895 6.485 200 HA THR 25 HA THR 25 -3.598 -4.398 6.835 201 HB THR 25 HB THR 25 -4.083 -1.677 5.773 202 HG1 THR 25 HG1 THR 25 -5.551 -4.030 6.724 203 1HG2 THR 25 HG21 THR 25 -4.319 -2.783 3.594 204 2HG2 THR 25 HG22 THR 25 -5.192 -4.144 4.338 205 3HG2 THR 25 HG23 THR 25 -5.950 -2.536 4.263 206 H ALA 26 HN ALA 26 -1.227 -2.945 4.660 207 HA ALA 26 HA ALA 26 -1.712 -4.929 2.622 208 1HB ALA 26 HB1 ALA 26 0.190 -2.605 3.007 209 2HB ALA 26 HB2 ALA 26 0.418 -3.773 1.683 210 3HB ALA 26 HB3 ALA 26 -1.081 -2.818 1.780 211 H SER 27 HN SER 27 0.522 -4.284 5.343 212 HA SER 27 HA SER 27 2.101 -6.570 4.579 213 1HB SER 27 HB2 SER 27 2.791 -4.190 5.725 214 2HB SER 27 HB3 SER 27 2.596 -5.160 7.172 215 HG SER 27 HG SER 27 3.990 -6.633 5.350 216 H LYS 28 HN LYS 28 -0.509 -7.355 5.093 217 HA LYS 28 HA LYS 28 -0.119 -8.974 7.455 218 1HB LYS 28 HB2 LYS 28 -2.404 -8.383 8.325 219 2HB LYS 28 HB3 LYS 28 -1.181 -7.146 8.525 220 1HG LYS 28 HG2 LYS 28 -3.025 -5.927 7.690 221 2HG LYS 28 HG3 LYS 28 -2.047 -6.180 6.258 222 1HD LYS 28 HD2 LYS 28 -4.327 -6.720 5.656 223 2HD LYS 28 HD3 LYS 28 -3.447 -8.234 5.733 224 1HE LYS 28 HE2 LYS 28 -4.570 -7.525 8.356 225 2HE LYS 28 HE3 LYS 28 -5.819 -7.590 7.129 226 1HZ LYS 28 HZ1 LYS 28 -5.678 -9.753 7.700 227 2HZ LYS 28 HZ2 LYS 28 -4.554 -9.767 6.515 228 3HZ LYS 28 HZ3 LYS 28 -4.090 -9.708 8.080 229 H PHE 29 HN PHE 29 -0.282 -9.096 4.392 230 HA PHE 29 HA PHE 29 -2.511 -11.005 4.284 231 1HB PHE 29 HB2 PHE 29 -1.139 -9.317 2.106 232 2HB PHE 29 HB3 PHE 29 -2.473 -10.414 1.810 233 HD1 PHE 29 HD1 PHE 29 -2.053 -7.248 1.510 234 HD2 PHE 29 HD2 PHE 29 -4.188 -9.761 4.180 235 HE1 PHE 29 HE1 PHE 29 -3.681 -5.390 1.958 236 HE2 PHE 29 HE2 PHE 29 -5.815 -7.903 4.628 237 HZ PHE 29 HZ PHE 29 -5.542 -5.740 3.512 238 H ASN 30 HN ASN 30 -2.096 -13.082 3.538 239 HA ASN 30 HA ASN 30 0.507 -13.980 3.705 240 1HB ASN 30 HB2 ASN 30 -2.100 -15.132 2.669 241 2HB ASN 30 HB3 ASN 30 -0.622 -16.026 2.375 242 1HD2 ASN 30 HD21 ASN 30 -3.065 -15.246 4.576 243 2HD2 ASN 30 HD22 ASN 30 -2.440 -16.013 5.998 244 H SER 31 HN SER 31 -0.970 -12.118 1.301 245 HA SER 31 HA SER 31 0.473 -13.387 -0.866 246 1HB SER 31 HB2 SER 31 -1.943 -11.734 -0.629 247 2HB SER 31 HB3 SER 31 -0.865 -11.114 -1.864 248 HG SER 31 HG SER 31 -1.883 -13.820 -1.674 249 H ASP 32 HN ASP 32 1.397 -11.562 -2.514 250 HA ASP 32 HA ASP 32 3.214 -10.046 -0.866 251 1HB ASP 32 HB2 ASP 32 3.231 -11.255 -3.560 252 2HB ASP 32 HB3 ASP 32 3.873 -9.624 -3.570 253 H ILE 33 HN ILE 33 1.962 -8.180 -0.257 254 HA ILE 33 HA ILE 33 0.975 -6.576 -2.513 255 HB ILE 33 HB ILE 33 -0.766 -7.466 -0.999 256 1HG1 ILE 33 HG12 ILE 33 -0.696 -5.114 -2.231 257 2HG1 ILE 33 HG13 ILE 33 -2.045 -5.600 -1.223 258 1HG2 ILE 33 HG21 ILE 33 -0.717 -5.899 1.239 259 2HG2 ILE 33 HG22 ILE 33 -0.197 -7.599 1.164 260 3HG2 ILE 33 HG23 ILE 33 1.006 -6.294 1.036 261 1HD1 ILE 33 HD11 ILE 33 0.320 -4.118 -0.025 262 2HD1 ILE 33 HD12 ILE 33 -1.010 -3.243 -0.822 263 3HD1 ILE 33 HD13 ILE 33 -1.339 -4.256 0.605 264 H ASN 34 HN ASN 34 1.935 -4.634 -2.859 265 HA ASN 34 HA ASN 34 3.397 -3.503 -0.622 266 1HB ASN 34 HB2 ASN 34 4.472 -3.732 -3.483 267 2HB ASN 34 HB3 ASN 34 5.291 -2.928 -2.159 268 1HD2 ASN 34 HD21 ASN 34 6.564 -4.880 -3.501 269 2HD2 ASN 34 HD22 ASN 34 6.745 -6.311 -2.541 270 H LEU 35 HN LEU 35 4.223 -1.126 -1.513 271 HA LEU 35 HA LEU 35 1.961 -0.001 -3.015 272 1HB LEU 35 HB2 LEU 35 1.578 1.481 -1.425 273 2HB LEU 35 HB3 LEU 35 2.547 0.457 -0.383 274 HG LEU 35 HG LEU 35 4.550 1.814 -0.926 275 1HD1 LEU 35 HD11 LEU 35 2.701 3.008 -2.869 276 2HD1 LEU 35 HD12 LEU 35 3.628 4.195 -1.921 277 3HD1 LEU 35 HD13 LEU 35 4.479 2.943 -2.856 278 1HD2 LEU 35 HD21 LEU 35 3.677 3.960 0.224 279 2HD2 LEU 35 HD22 LEU 35 2.126 3.091 0.317 280 3HD2 LEU 35 HD23 LEU 35 3.575 2.412 1.096 281 H GLU 36 HN GLU 36 2.430 1.560 -4.604 282 HA GLU 36 HA GLU 36 5.280 1.958 -5.058 283 1HB GLU 36 HB2 GLU 36 4.573 0.275 -6.657 284 2HB GLU 36 HB3 GLU 36 3.149 1.197 -7.095 285 1HG GLU 36 HG2 GLU 36 5.774 2.610 -7.412 286 2HG GLU 36 HG3 GLU 36 5.484 1.276 -8.511 287 H TYR 37 HN TYR 37 5.703 4.109 -4.840 288 HA TYR 37 HA TYR 37 3.592 5.970 -5.700 289 1HB TYR 37 HB2 TYR 37 4.131 6.008 -3.265 290 2HB TYR 37 HB3 TYR 37 5.849 6.024 -3.608 291 HD1 TYR 37 HD1 TYR 37 5.945 8.002 -2.050 292 HD2 TYR 37 HD2 TYR 37 3.808 8.118 -5.755 293 HE1 TYR 37 HE1 TYR 37 5.933 10.544 -1.973 294 HE2 TYR 37 HE2 TYR 37 3.804 10.659 -5.665 295 HH TYR 37 HH TYR 37 5.111 12.365 -2.853 296 H LYS 38 HN LYS 38 4.035 7.201 -7.457 297 HA LYS 38 HA LYS 38 5.167 8.379 -8.952 298 1HB LYS 38 HB2 LYS 38 7.602 8.050 -7.173 299 2HB LYS 38 HB3 LYS 38 7.434 9.179 -8.502 300 1HG LYS 38 HG2 LYS 38 5.157 9.718 -6.984 301 2HG LYS 38 HG3 LYS 38 6.340 9.332 -5.750 302 1HD LYS 38 HD2 LYS 38 7.030 11.250 -8.005 303 2HD LYS 38 HD3 LYS 38 6.157 11.813 -6.594 304 1HE LYS 38 HE2 LYS 38 8.067 10.667 -5.205 305 2HE LYS 38 HE3 LYS 38 8.957 10.632 -6.715 306 1HZ LYS 38 HZ1 LYS 38 8.546 13.041 -6.869 307 2HZ LYS 38 HZ2 LYS 38 7.888 13.016 -5.375 308 3HZ LYS 38 HZ3 LYS 38 9.460 12.624 -5.581 309 H GLY 39 HN GLY 39 5.545 5.173 -8.189 310 1HA GLY 39 HA1 GLY 39 5.768 3.757 -10.176 311 2HA GLY 39 HA2 GLY 39 7.193 4.685 -10.600 312 H LYS 40 HN LYS 40 7.265 4.604 -7.269 313 HA LYS 40 HA LYS 40 9.134 2.373 -7.327 314 1HB LYS 40 HB2 LYS 40 10.026 4.420 -6.455 315 2HB LYS 40 HB3 LYS 40 8.665 4.636 -5.373 316 1HG LYS 40 HG2 LYS 40 10.304 2.101 -5.166 317 2HG LYS 40 HG3 LYS 40 10.950 3.582 -4.490 318 1HD LYS 40 HD2 LYS 40 8.286 3.564 -3.589 319 2HD LYS 40 HD3 LYS 40 8.756 1.878 -3.501 320 1HE LYS 40 HE2 LYS 40 9.396 2.785 -1.388 321 2HE LYS 40 HE3 LYS 40 10.896 2.674 -2.287 322 1HZ LYS 40 HZ1 LYS 40 10.511 5.021 -2.930 323 2HZ LYS 40 HZ2 LYS 40 9.267 5.078 -1.873 324 3HZ LYS 40 HZ3 LYS 40 10.784 4.800 -1.335 325 H SER 41 HN SER 41 8.223 0.408 -7.003 326 HA SER 41 HA SER 41 6.007 0.305 -5.129 327 1HB SER 41 HB2 SER 41 5.214 -1.550 -6.284 328 2HB SER 41 HB3 SER 41 6.008 -0.687 -7.585 329 HG SER 41 HG SER 41 7.981 -2.085 -6.784 330 H VAL 42 HN VAL 42 6.530 -0.269 -3.053 331 HA VAL 42 HA VAL 42 8.423 -2.439 -2.682 332 HB VAL 42 HB VAL 42 9.810 -1.263 -1.172 333 1HG1 VAL 42 HG11 VAL 42 9.315 0.113 -3.797 334 2HG1 VAL 42 HG12 VAL 42 10.508 0.788 -2.661 335 3HG1 VAL 42 HG13 VAL 42 10.700 -0.873 -3.271 336 1HG2 VAL 42 HG21 VAL 42 9.481 0.962 -0.387 337 2HG2 VAL 42 HG22 VAL 42 8.163 1.252 -1.548 338 3HG2 VAL 42 HG23 VAL 42 7.923 0.121 -0.194 339 H ASN 43 HN ASN 43 8.051 -3.612 -0.745 340 HA ASN 43 HA ASN 43 5.558 -3.933 0.057 341 1HB ASN 43 HB2 ASN 43 7.741 -4.015 2.172 342 2HB ASN 43 HB3 ASN 43 6.416 -5.138 1.937 343 1HD2 ASN 43 HD21 ASN 43 9.519 -5.153 1.929 344 2HD2 ASN 43 HD22 ASN 43 9.936 -6.154 0.578 345 H LEU 44 HN LEU 44 4.437 -1.852 0.241 346 HA LEU 44 HA LEU 44 4.851 0.414 1.298 347 1HB LEU 44 HB2 LEU 44 2.618 -0.545 2.829 348 2HB LEU 44 HB3 LEU 44 2.657 0.554 1.466 349 HG LEU 44 HG LEU 44 2.700 -1.444 -0.062 350 1HD1 LEU 44 HD11 LEU 44 2.061 -3.623 0.806 351 2HD1 LEU 44 HD12 LEU 44 3.582 -3.075 1.553 352 3HD1 LEU 44 HD13 LEU 44 2.058 -2.984 2.468 353 1HD2 LEU 44 HD21 LEU 44 0.339 -1.038 1.787 354 2HD2 LEU 44 HD22 LEU 44 0.650 -0.255 0.219 355 3HD2 LEU 44 HD23 LEU 44 0.279 -1.994 0.286 356 H LYS 45 HN LYS 45 4.824 -2.547 3.341 357 HA LYS 45 HA LYS 45 5.224 -1.164 5.763 358 1HB LYS 45 HB2 LYS 45 4.511 -3.684 5.110 359 2HB LYS 45 HB3 LYS 45 6.205 -3.957 5.464 360 1HG LYS 45 HG2 LYS 45 4.870 -2.200 7.445 361 2HG LYS 45 HG3 LYS 45 4.159 -3.799 7.354 362 1HD LYS 45 HD2 LYS 45 7.026 -4.115 7.290 363 2HD LYS 45 HD3 LYS 45 6.645 -3.012 8.597 364 1HE LYS 45 HE2 LYS 45 6.139 -4.846 9.843 365 2HE LYS 45 HE3 LYS 45 4.686 -4.993 8.876 366 1HZ LYS 45 HZ1 LYS 45 6.030 -6.999 8.878 367 2HZ LYS 45 HZ2 LYS 45 5.864 -6.402 7.367 368 3HZ LYS 45 HZ3 LYS 45 7.270 -6.203 8.173 369 H SER 46 HN SER 46 7.117 -1.115 3.076 370 HA SER 46 HA SER 46 9.615 -1.522 4.433 371 1HB SER 46 HB2 SER 46 9.103 -2.161 1.984 372 2HB SER 46 HB3 SER 46 9.194 -0.450 1.616 373 HG SER 46 HG SER 46 11.232 -1.663 1.314 374 H ILE 47 HN ILE 47 8.935 0.283 6.028 375 HA ILE 47 HA ILE 47 8.498 2.863 5.465 376 HB ILE 47 HB ILE 47 9.188 1.401 7.673 377 1HG1 ILE 47 HG12 ILE 47 8.603 3.385 8.934 378 2HG1 ILE 47 HG13 ILE 47 8.936 4.419 7.559 379 1HG2 ILE 47 HG21 ILE 47 11.008 2.694 8.775 380 2HG2 ILE 47 HG22 ILE 47 11.555 1.702 7.402 381 3HG2 ILE 47 HG23 ILE 47 11.358 3.461 7.207 382 1HD1 ILE 47 HD11 ILE 47 6.459 3.297 8.198 383 2HD1 ILE 47 HD12 ILE 47 6.900 4.014 6.629 384 3HD1 ILE 47 HD13 ILE 47 7.051 2.258 6.879 385 H MET 48 HN MET 48 11.763 1.282 5.528 386 HA MET 48 HA MET 48 13.351 3.345 5.064 387 1HB MET 48 HB2 MET 48 14.167 1.028 5.174 388 2HB MET 48 HB3 MET 48 13.314 0.599 3.704 389 1HG MET 48 HG2 MET 48 14.822 2.618 2.701 390 2HG MET 48 HG3 MET 48 15.865 2.164 4.034 391 1HE MET 48 HE1 MET 48 14.537 -0.524 0.553 392 2HE MET 48 HE2 MET 48 13.451 -0.352 1.952 393 3HE MET 48 HE3 MET 48 13.898 1.079 0.991 394 H GLY 49 HN GLY 49 12.334 1.384 2.184 395 1HA GLY 49 HA1 GLY 49 12.911 3.310 0.287 396 2HA GLY 49 HA2 GLY 49 11.777 1.988 0.093 397 H VAL 50 HN VAL 50 9.765 2.593 1.956 398 HA VAL 50 HA VAL 50 8.274 4.481 0.551 399 HB VAL 50 HB VAL 50 7.970 2.655 2.738 400 1HG1 VAL 50 HG11 VAL 50 6.174 3.973 3.957 401 2HG1 VAL 50 HG12 VAL 50 7.854 4.460 4.285 402 3HG1 VAL 50 HG13 VAL 50 6.843 5.431 3.189 403 1HG2 VAL 50 HG21 VAL 50 6.278 3.952 0.643 404 2HG2 VAL 50 HG22 VAL 50 6.559 2.228 0.985 405 3HG2 VAL 50 HG23 VAL 50 5.456 3.172 2.015 406 H MET 51 HN MET 51 9.911 4.690 3.787 407 HA MET 51 HA MET 51 9.234 7.128 4.551 408 1HB MET 51 HB2 MET 51 10.793 5.775 5.849 409 2HB MET 51 HB3 MET 51 11.971 5.761 4.551 410 1HG MET 51 HG2 MET 51 12.736 7.348 6.235 411 2HG MET 51 HG3 MET 51 12.247 8.262 4.821 412 1HE MET 51 HE1 MET 51 9.148 6.741 6.363 413 2HE MET 51 HE2 MET 51 10.319 6.427 7.666 414 3HE MET 51 HE3 MET 51 8.970 7.556 7.935 415 H SER 52 HN SER 52 11.981 6.446 2.266 416 HA SER 52 HA SER 52 12.647 9.082 1.861 417 1HB SER 52 HB2 SER 52 13.796 8.268 -0.179 418 2HB SER 52 HB3 SER 52 14.085 7.206 1.184 419 HG SER 52 HG SER 52 11.816 6.437 -0.209 420 H LEU 53 HN LEU 53 9.973 7.131 0.645 421 HA LEU 53 HA LEU 53 9.385 9.072 -1.441 422 1HB LEU 53 HB2 LEU 53 8.912 6.272 -1.013 423 2HB LEU 53 HB3 LEU 53 7.381 7.089 -1.257 424 HG LEU 53 HG LEU 53 9.759 7.200 -3.134 425 1HD1 LEU 53 HD11 LEU 53 7.535 6.059 -4.414 426 2HD1 LEU 53 HD12 LEU 53 9.040 5.252 -3.914 427 3HD1 LEU 53 HD13 LEU 53 7.635 5.270 -2.821 428 1HD2 LEU 53 HD21 LEU 53 7.688 9.053 -2.851 429 2HD2 LEU 53 HD22 LEU 53 8.799 8.877 -4.231 430 3HD2 LEU 53 HD23 LEU 53 7.221 8.053 -4.247 431 H GLY 54 HN GLY 54 7.012 7.345 0.623 432 1HA GLY 54 HA1 GLY 54 5.335 8.101 1.912 433 2HA GLY 54 HA2 GLY 54 6.370 9.446 2.350 434 H VAL 55 HN VAL 55 3.380 8.793 1.176 435 HA VAL 55 HA VAL 55 3.406 11.061 -0.689 436 HB VAL 55 HB VAL 55 0.958 9.784 -0.902 437 1HG1 VAL 55 HG11 VAL 55 3.070 8.855 -2.758 438 2HG1 VAL 55 HG12 VAL 55 1.527 9.679 -3.089 439 3HG1 VAL 55 HG13 VAL 55 2.944 10.620 -2.564 440 1HG2 VAL 55 HG21 VAL 55 1.984 7.929 0.496 441 2HG2 VAL 55 HG22 VAL 55 1.321 7.440 -1.082 442 3HG2 VAL 55 HG23 VAL 55 3.079 7.622 -0.873 443 H GLY 56 HN GLY 56 0.779 11.851 -0.623 444 1HA GLY 56 HA1 GLY 56 -0.644 12.026 1.659 445 2HA GLY 56 HA2 GLY 56 0.656 13.164 1.951 446 H GLN 57 HN GLN 57 0.835 15.101 0.690 447 HA GLN 57 HA GLN 57 -1.350 16.425 0.098 448 1HB GLN 57 HB2 GLN 57 1.458 16.597 -0.726 449 2HB GLN 57 HB3 GLN 57 0.400 17.268 -1.952 450 1HG GLN 57 HG2 GLN 57 -0.636 18.782 -0.331 451 2HG GLN 57 HG3 GLN 57 0.194 18.006 1.003 452 1HE2 GLN 57 HE21 GLN 57 2.443 18.230 1.236 453 2HE2 GLN 57 HE22 GLN 57 3.316 19.553 0.537 454 H GLY 58 HN GLY 58 -2.965 14.936 -0.763 455 1HA GLY 58 HA1 GLY 58 -4.070 13.801 -2.380 456 2HA GLY 58 HA2 GLY 58 -3.668 15.206 -3.346 457 H SER 59 HN SER 59 -0.846 13.549 -2.234 458 HA SER 59 HA SER 59 0.151 13.056 -4.677 459 1HB SER 59 HB2 SER 59 0.646 11.282 -2.249 460 2HB SER 59 HB3 SER 59 1.745 11.551 -3.587 461 HG SER 59 HG SER 59 0.916 13.442 -1.566 462 H ASP 60 HN ASP 60 0.790 10.650 -5.471 463 HA ASP 60 HA ASP 60 -1.597 9.003 -5.271 464 1HB ASP 60 HB2 ASP 60 -1.580 8.585 -7.666 465 2HB ASP 60 HB3 ASP 60 -1.609 10.319 -7.418 466 H VAL 61 HN VAL 61 -1.126 6.692 -5.480 467 HA VAL 61 HA VAL 61 1.625 5.935 -5.982 468 HB VAL 61 HB VAL 61 1.741 4.644 -3.879 469 1HG1 VAL 61 HG11 VAL 61 2.489 6.438 -2.534 470 2HG1 VAL 61 HG12 VAL 61 2.694 6.996 -4.211 471 3HG1 VAL 61 HG13 VAL 61 1.316 7.572 -3.244 472 1HG2 VAL 61 HG21 VAL 61 -0.516 6.303 -2.776 473 2HG2 VAL 61 HG22 VAL 61 -0.853 4.764 -3.603 474 3HG2 VAL 61 HG23 VAL 61 0.185 4.788 -2.158 475 H THR 62 HN THR 62 1.719 3.367 -5.753 476 HA THR 62 HA THR 62 -0.839 2.293 -6.735 477 HB THR 62 HB THR 62 1.887 2.380 -7.998 478 HG1 THR 62 HG1 THR 62 0.193 3.433 -9.075 479 1HG2 THR 62 HG21 THR 62 0.030 -0.043 -8.017 480 2HG2 THR 62 HG22 THR 62 1.093 0.334 -9.394 481 3HG2 THR 62 HG23 THR 62 1.796 -0.023 -7.798 482 H ILE 63 HN ILE 63 -1.312 0.134 -6.210 483 HA ILE 63 HA ILE 63 0.472 -0.951 -4.142 484 HB ILE 63 HB ILE 63 -2.172 -0.090 -3.887 485 1HG1 ILE 63 HG12 ILE 63 -1.709 -1.658 -1.674 486 2HG1 ILE 63 HG13 ILE 63 -0.080 -1.369 -2.253 487 1HG2 ILE 63 HG21 ILE 63 -2.688 -2.325 -5.055 488 2HG2 ILE 63 HG22 ILE 63 -2.174 -3.082 -3.528 489 3HG2 ILE 63 HG23 ILE 63 -3.543 -1.945 -3.541 490 1HD1 ILE 63 HD11 ILE 63 -1.373 1.135 -2.506 491 2HD1 ILE 63 HD12 ILE 63 -1.922 0.480 -0.944 492 3HD1 ILE 63 HD13 ILE 63 -0.182 0.669 -1.268 493 H THR 64 HN THR 64 0.573 -3.316 -4.020 494 HA THR 64 HA THR 64 -0.395 -4.679 -6.422 495 HB THR 64 HB THR 64 2.436 -5.186 -5.508 496 HG1 THR 64 HG1 THR 64 1.627 -3.076 -7.356 497 1HG2 THR 64 HG21 THR 64 2.214 -4.744 -8.309 498 2HG2 THR 64 HG22 THR 64 2.378 -6.318 -7.494 499 3HG2 THR 64 HG23 THR 64 0.761 -5.670 -7.862 500 H VAL 65 HN VAL 65 -0.679 -6.944 -6.194 501 HA VAL 65 HA VAL 65 -0.221 -8.012 -3.529 502 HB VAL 65 HB VAL 65 -2.492 -6.895 -3.642 503 1HG1 VAL 65 HG11 VAL 65 -2.689 -8.483 -6.010 504 2HG1 VAL 65 HG12 VAL 65 -3.908 -9.063 -4.850 505 3HG1 VAL 65 HG13 VAL 65 -3.878 -7.348 -5.327 506 1HG2 VAL 65 HG21 VAL 65 -3.638 -9.093 -2.740 507 2HG2 VAL 65 HG22 VAL 65 -1.992 -9.756 -2.883 508 3HG2 VAL 65 HG23 VAL 65 -2.293 -8.337 -1.852 509 H ASP 66 HN ASP 66 0.684 -9.992 -3.738 510 HA ASP 66 HA ASP 66 -0.113 -11.541 -6.059 511 1HB ASP 66 HB2 ASP 66 2.705 -11.948 -5.318 512 2HB ASP 66 HB3 ASP 66 2.003 -11.701 -6.904 513 H GLY 67 HN GLY 67 -0.699 -13.609 -5.362 514 1HA GLY 67 HA1 GLY 67 0.418 -15.484 -3.990 515 2HA GLY 67 HA2 GLY 67 0.110 -14.404 -2.646 516 H ALA 68 HN ALA 68 -1.467 -15.598 -1.549 517 HA ALA 68 HA ALA 68 -3.763 -16.523 -3.077 518 1HB ALA 68 HB1 ALA 68 -3.539 -16.857 -0.111 519 2HB ALA 68 HB2 ALA 68 -4.099 -18.004 -1.350 520 3HB ALA 68 HB3 ALA 68 -2.357 -17.719 -1.124 521 H ASP 69 HN ASP 69 -2.915 -14.341 -0.313 522 HA ASP 69 HA ASP 69 -5.444 -13.519 0.269 523 1HB ASP 69 HB2 ASP 69 -2.745 -12.716 0.854 524 2HB ASP 69 HB3 ASP 69 -3.625 -11.263 0.424 525 H GLU 70 HN GLU 70 -3.305 -12.763 -2.451 526 HA GLU 70 HA GLU 70 -3.465 -10.706 -3.644 527 1HB GLU 70 HB2 GLU 70 -5.353 -11.904 -5.391 528 2HB GLU 70 HB3 GLU 70 -3.605 -12.004 -5.484 529 1HG GLU 70 HG2 GLU 70 -3.968 -14.255 -5.233 530 2HG GLU 70 HG3 GLU 70 -4.054 -13.860 -3.528 531 H ALA 71 HN ALA 71 -6.818 -12.074 -3.832 532 HA ALA 71 HA ALA 71 -8.047 -9.623 -4.158 533 1HB ALA 71 HB1 ALA 71 -9.642 -11.139 -4.626 534 2HB ALA 71 HB2 ALA 71 -8.773 -12.410 -3.732 535 3HB ALA 71 HB3 ALA 71 -9.891 -11.324 -2.873 536 H GLU 72 HN GLU 72 -8.413 -11.647 -1.167 537 HA GLU 72 HA GLU 72 -9.384 -9.773 0.442 538 1HB GLU 72 HB2 GLU 72 -7.444 -11.226 1.998 539 2HB GLU 72 HB3 GLU 72 -9.178 -11.465 1.919 540 1HG GLU 72 HG2 GLU 72 -8.940 -12.931 -0.047 541 2HG GLU 72 HG3 GLU 72 -7.221 -12.599 -0.133 542 H GLY 73 HN GLY 73 -5.851 -10.378 -0.134 543 1HA GLY 73 HA1 GLY 73 -4.754 -8.534 1.568 544 2HA GLY 73 HA2 GLY 73 -4.081 -8.996 0.017 545 H MET 74 HN MET 74 -4.800 -7.801 -1.957 546 HA MET 74 HA MET 74 -4.624 -5.104 -1.609 547 1HB MET 74 HB2 MET 74 -5.499 -5.043 -4.028 548 2HB MET 74 HB3 MET 74 -4.160 -6.142 -3.766 549 1HG MET 74 HG2 MET 74 -5.425 -7.871 -4.516 550 2HG MET 74 HG3 MET 74 -6.558 -7.620 -3.203 551 1HE MET 74 HE1 MET 74 -8.601 -7.203 -3.343 552 2HE MET 74 HE2 MET 74 -9.572 -6.386 -4.591 553 3HE MET 74 HE3 MET 74 -9.047 -8.070 -4.832 554 H ALA 75 HN ALA 75 -7.495 -7.216 -1.610 555 HA ALA 75 HA ALA 75 -9.508 -5.468 -2.132 556 1HB ALA 75 HB1 ALA 75 -9.240 -7.778 -0.188 557 2HB ALA 75 HB2 ALA 75 -10.780 -6.910 -0.401 558 3HB ALA 75 HB3 ALA 75 -10.032 -7.749 -1.782 559 H ALA 76 HN ALA 76 -8.081 -6.132 1.151 560 HA ALA 76 HA ALA 76 -9.503 -4.150 2.468 561 1HB ALA 76 HB1 ALA 76 -6.949 -4.429 3.689 562 2HB ALA 76 HB2 ALA 76 -8.469 -5.242 4.135 563 3HB ALA 76 HB3 ALA 76 -7.354 -6.010 2.979 564 H ILE 77 HN ILE 77 -6.104 -4.051 1.171 565 HA ILE 77 HA ILE 77 -5.520 -1.469 1.769 566 HB ILE 77 HB ILE 77 -4.606 -3.495 -0.098 567 1HG1 ILE 77 HG12 ILE 77 -3.322 -3.147 1.825 568 2HG1 ILE 77 HG13 ILE 77 -2.389 -2.398 0.544 569 1HG2 ILE 77 HG21 ILE 77 -4.097 -0.616 -0.892 570 2HG2 ILE 77 HG22 ILE 77 -3.461 -2.083 -1.673 571 3HG2 ILE 77 HG23 ILE 77 -5.203 -1.724 -1.739 572 1HD1 ILE 77 HD11 ILE 77 -3.861 -0.243 1.268 573 2HD1 ILE 77 HD12 ILE 77 -3.870 -1.122 2.816 574 3HD1 ILE 77 HD13 ILE 77 -2.324 -0.660 2.064 575 H VAL 78 HN VAL 78 -7.060 -2.633 -1.313 576 HA VAL 78 HA VAL 78 -7.462 -0.185 -2.460 577 HB VAL 78 HB VAL 78 -9.419 -2.480 -2.567 578 1HG1 VAL 78 HG11 VAL 78 -10.237 -1.540 -4.444 579 2HG1 VAL 78 HG12 VAL 78 -9.474 -0.051 -3.836 580 3HG1 VAL 78 HG13 VAL 78 -8.625 -1.063 -5.029 581 1HG2 VAL 78 HG21 VAL 78 -7.489 -2.698 -4.649 582 2HG2 VAL 78 HG22 VAL 78 -6.606 -2.560 -3.110 583 3HG2 VAL 78 HG23 VAL 78 -7.825 -3.839 -3.325 584 H GLU 79 HN GLU 79 -9.860 -2.017 -0.424 585 HA GLU 79 HA GLU 79 -11.705 -0.000 -0.329 586 1HB GLU 79 HB2 GLU 79 -11.162 -2.507 1.104 587 2HB GLU 79 HB3 GLU 79 -11.918 -1.320 2.147 588 1HG GLU 79 HG2 GLU 79 -13.223 -1.278 -0.454 589 2HG GLU 79 HG3 GLU 79 -13.164 -2.928 0.135 590 H THR 80 HN THR 80 -8.937 -0.711 1.892 591 HA THR 80 HA THR 80 -9.495 1.318 3.739 592 HB THR 80 HB THR 80 -7.483 -0.695 3.184 593 HG1 THR 80 HG1 THR 80 -8.610 -0.494 5.184 594 1HG2 THR 80 HG21 THR 80 -6.229 1.647 2.691 595 2HG2 THR 80 HG22 THR 80 -6.254 1.746 4.469 596 3HG2 THR 80 HG23 THR 80 -5.453 0.374 3.664 597 H LEU 81 HN LEU 81 -7.521 1.320 0.720 598 HA LEU 81 HA LEU 81 -6.390 3.788 0.957 599 1HB LEU 81 HB2 LEU 81 -7.360 2.183 -1.384 600 2HB LEU 81 HB3 LEU 81 -6.690 3.784 -1.628 601 HG LEU 81 HG LEU 81 -5.302 1.362 -1.462 602 1HD1 LEU 81 HD11 LEU 81 -4.839 3.682 -2.586 603 2HD1 LEU 81 HD12 LEU 81 -3.895 3.985 -1.108 604 3HD1 LEU 81 HD13 LEU 81 -3.492 2.602 -2.153 605 1HD2 LEU 81 HD21 LEU 81 -4.599 3.043 0.957 606 2HD2 LEU 81 HD22 LEU 81 -5.525 1.524 1.017 607 3HD2 LEU 81 HD23 LEU 81 -3.843 1.518 0.435 608 H GLN 82 HN GLN 82 -9.703 2.957 -0.231 609 HA GLN 82 HA GLN 82 -10.268 5.789 -0.349 610 1HB GLN 82 HB2 GLN 82 -12.516 4.898 -1.281 611 2HB GLN 82 HB3 GLN 82 -11.087 4.687 -2.273 612 1HG GLN 82 HG2 GLN 82 -10.971 2.377 -1.877 613 2HG GLN 82 HG3 GLN 82 -11.776 2.490 -0.325 614 1HE2 GLN 82 HE21 GLN 82 -12.440 0.630 -2.272 615 2HE2 GLN 82 HE22 GLN 82 -14.041 0.930 -2.862 616 H LYS 83 HN LYS 83 -10.412 3.199 1.865 617 HA LYS 83 HA LYS 83 -12.848 4.061 3.151 618 1HB LYS 83 HB2 LYS 83 -12.841 1.921 3.750 619 2HB LYS 83 HB3 LYS 83 -11.229 1.696 3.102 620 1HG LYS 83 HG2 LYS 83 -10.219 2.490 5.210 621 2HG LYS 83 HG3 LYS 83 -11.799 2.882 5.859 622 1HD LYS 83 HD2 LYS 83 -10.575 0.540 6.398 623 2HD LYS 83 HD3 LYS 83 -12.320 0.676 6.314 624 1HE LYS 83 HE2 LYS 83 -12.195 0.036 3.857 625 2HE LYS 83 HE3 LYS 83 -10.474 -0.228 4.053 626 1HZ LYS 83 HZ1 LYS 83 -10.836 -2.031 5.376 627 2HZ LYS 83 HZ2 LYS 83 -12.316 -1.553 5.874 628 3HZ LYS 83 HZ3 LYS 83 -12.116 -2.157 4.370 629 H GLU 84 HN GLU 84 -9.289 4.293 3.578 630 HA GLU 84 HA GLU 84 -9.724 5.806 5.996 631 1HB GLU 84 HB2 GLU 84 -7.025 5.252 4.729 632 2HB GLU 84 HB3 GLU 84 -7.395 5.539 6.418 633 1HG GLU 84 HG2 GLU 84 -8.436 3.113 4.888 634 2HG GLU 84 HG3 GLU 84 -6.925 3.098 5.776 635 H GLY 85 HN GLY 85 -10.140 6.545 2.891 636 1HA GLY 85 HA1 GLY 85 -10.089 8.445 1.694 637 2HA GLY 85 HA2 GLY 85 -9.789 9.306 3.190 638 H LEU 86 HN LEU 86 -7.416 6.880 2.800 639 HA LEU 86 HA LEU 86 -5.382 8.794 2.402 640 1HB LEU 86 HB2 LEU 86 -5.630 5.946 2.978 641 2HB LEU 86 HB3 LEU 86 -4.277 6.300 1.921 642 HG LEU 86 HG LEU 86 -4.765 7.597 4.617 643 1HD1 LEU 86 HD11 LEU 86 -2.380 6.054 4.579 644 2HD1 LEU 86 HD12 LEU 86 -3.848 5.811 5.555 645 3HD1 LEU 86 HD13 LEU 86 -3.698 5.028 3.964 646 1HD2 LEU 86 HD21 LEU 86 -3.392 8.721 2.598 647 2HD2 LEU 86 HD22 LEU 86 -2.951 8.912 4.312 648 3HD2 LEU 86 HD23 LEU 86 -2.106 7.712 3.304 649 H ALA 87 HN ALA 87 -7.061 6.416 0.288 650 HA ALA 87 HA ALA 87 -5.970 7.880 -1.993 651 1HB ALA 87 HB1 ALA 87 -4.588 6.163 -2.459 652 2HB ALA 87 HB2 ALA 87 -5.315 5.144 -1.193 653 3HB ALA 87 HB3 ALA 87 -6.044 5.204 -2.816 654 H GLU 88 HN GLU 88 -7.195 6.900 -4.081 655 HA GLU 88 HA GLU 88 -9.942 7.308 -3.453 656 1HB GLU 88 HB2 GLU 88 -8.499 6.782 -6.087 657 2HB GLU 88 HB3 GLU 88 -10.213 7.127 -5.970 658 1HG GLU 88 HG2 GLU 88 -9.366 9.239 -4.557 659 2HG GLU 88 HG3 GLU 88 -7.869 8.953 -5.421 660 H GLN 89 HN GLN 89 -11.317 5.719 -5.313 661 HA GLN 89 HA GLN 89 -11.644 3.397 -3.896 662 1HB GLN 89 HB2 GLN 89 -13.317 4.418 -5.451 663 2HB GLN 89 HB3 GLN 89 -12.341 3.922 -6.819 664 1HG GLN 89 HG2 GLN 89 -12.805 1.655 -5.027 665 2HG GLN 89 HG3 GLN 89 -14.328 2.391 -5.485 666 1HE2 GLN 89 HE21 GLN 89 -14.575 2.931 -7.829 667 2HE2 GLN 89 HE22 GLN 89 -14.006 1.784 -8.996 Start of MODEL 14 1 H MET 1 HN MET 1 1.132 -12.252 -10.795 2 HA MET 1 HA MET 1 0.020 -11.390 -8.852 3 1HB MET 1 HB2 MET 1 1.854 -9.444 -10.354 4 2HB MET 1 HB3 MET 1 1.426 -9.227 -8.668 5 1HG MET 1 HG2 MET 1 3.181 -10.575 -8.142 6 2HG MET 1 HG3 MET 1 2.259 -11.916 -8.794 7 1HE MET 1 HE1 MET 1 5.930 -10.655 -9.278 8 2HE MET 1 HE2 MET 1 5.023 -11.958 -8.472 9 3HE MET 1 HE3 MET 1 5.895 -12.286 -9.989 10 H GLU 2 HN GLU 2 -1.500 -9.972 -7.930 11 HA GLU 2 HA GLU 2 -2.994 -8.463 -9.903 12 1HB GLU 2 HB2 GLU 2 -3.641 -9.780 -7.287 13 2HB GLU 2 HB3 GLU 2 -4.558 -8.342 -7.690 14 1HG GLU 2 HG2 GLU 2 -4.449 -9.907 -10.081 15 2HG GLU 2 HG3 GLU 2 -4.805 -11.029 -8.783 16 H LYS 3 HN LYS 3 -1.989 -6.464 -10.128 17 HA LYS 3 HA LYS 3 -1.263 -5.060 -7.675 18 1HB LYS 3 HB2 LYS 3 0.477 -4.338 -8.851 19 2HB LYS 3 HB3 LYS 3 -0.050 -5.316 -10.206 20 1HG LYS 3 HG2 LYS 3 -1.641 -3.368 -10.816 21 2HG LYS 3 HG3 LYS 3 -0.772 -2.411 -9.632 22 1HD LYS 3 HD2 LYS 3 0.284 -1.958 -11.743 23 2HD LYS 3 HD3 LYS 3 1.389 -3.001 -10.870 24 1HE LYS 3 HE2 LYS 3 1.088 -4.771 -12.321 25 2HE LYS 3 HE3 LYS 3 -0.622 -4.449 -12.531 26 1HZ LYS 3 HZ1 LYS 3 1.493 -3.678 -14.170 27 2HZ LYS 3 HZ2 LYS 3 -0.109 -3.482 -14.422 28 3HZ LYS 3 HZ3 LYS 3 0.742 -2.328 -13.640 29 H LYS 4 HN LYS 4 -2.074 -2.952 -7.193 30 HA LYS 4 HA LYS 4 -4.302 -2.059 -8.844 31 1HB LYS 4 HB2 LYS 4 -5.179 -3.585 -7.036 32 2HB LYS 4 HB3 LYS 4 -4.581 -2.441 -5.852 33 1HG LYS 4 HG2 LYS 4 -6.871 -1.838 -6.195 34 2HG LYS 4 HG3 LYS 4 -5.948 -0.633 -7.071 35 1HD LYS 4 HD2 LYS 4 -6.261 -1.993 -9.185 36 2HD LYS 4 HD3 LYS 4 -7.276 -3.102 -8.285 37 1HE LYS 4 HE2 LYS 4 -8.875 -1.287 -7.768 38 2HE LYS 4 HE3 LYS 4 -7.833 -0.108 -8.539 39 1HZ LYS 4 HZ1 LYS 4 -8.143 -1.963 -10.445 40 2HZ LYS 4 HZ2 LYS 4 -9.611 -1.985 -9.729 41 3HZ LYS 4 HZ3 LYS 4 -9.017 -0.588 -10.332 42 H GLU 5 HN GLU 5 -3.811 -0.011 -9.396 43 HA GLU 5 HA GLU 5 -1.969 1.429 -7.749 44 1HB GLU 5 HB2 GLU 5 -3.408 2.385 -10.260 45 2HB GLU 5 HB3 GLU 5 -1.956 3.069 -9.556 46 1HG GLU 5 HG2 GLU 5 -0.859 1.720 -11.043 47 2HG GLU 5 HG3 GLU 5 -1.157 0.458 -9.865 48 H PHE 6 HN PHE 6 -2.434 3.756 -7.102 49 HA PHE 6 HA PHE 6 -5.183 4.509 -6.899 50 1HB PHE 6 HB2 PHE 6 -3.494 3.817 -4.419 51 2HB PHE 6 HB3 PHE 6 -5.112 4.489 -4.369 52 HD1 PHE 6 HD1 PHE 6 -3.133 1.480 -4.999 53 HD2 PHE 6 HD2 PHE 6 -7.050 3.106 -4.862 54 HE1 PHE 6 HE1 PHE 6 -4.095 -0.838 -4.990 55 HE2 PHE 6 HE2 PHE 6 -8.012 0.788 -4.853 56 HZ PHE 6 HZ PHE 6 -6.523 -1.157 -4.917 57 H HIS 7 HN HIS 7 -5.158 6.483 -5.060 58 HA HIS 7 HA HIS 7 -2.687 7.957 -5.309 59 1HB HIS 7 HB2 HIS 7 -3.409 8.969 -7.186 60 2HB HIS 7 HB3 HIS 7 -5.081 8.515 -6.924 61 HD1 HIS 7 HD1 HIS 7 -3.340 11.453 -7.403 62 HD2 HIS 7 HD2 HIS 7 -5.913 10.213 -4.329 63 HE1 HIS 7 HE1 HIS 7 -4.201 13.581 -6.289 64 H ILE 8 HN ILE 8 -2.343 9.288 -3.542 65 HA ILE 8 HA ILE 8 -3.985 8.888 -1.304 66 HB ILE 8 HB ILE 8 -1.812 10.918 -1.831 67 1HG1 ILE 8 HG12 ILE 8 -0.631 8.986 -2.012 68 2HG1 ILE 8 HG13 ILE 8 -0.623 9.129 -0.265 69 1HG2 ILE 8 HG21 ILE 8 -3.289 10.142 0.679 70 2HG2 ILE 8 HG22 ILE 8 -1.638 10.804 0.730 71 3HG2 ILE 8 HG23 ILE 8 -2.959 11.763 0.021 72 1HD1 ILE 8 HD11 ILE 8 -1.265 6.851 -0.844 73 2HD1 ILE 8 HD12 ILE 8 -2.697 7.677 -0.184 74 3HD1 ILE 8 HD13 ILE 8 -2.536 7.443 -1.941 75 H VAL 9 HN VAL 9 -5.818 9.880 -0.638 76 HA VAL 9 HA VAL 9 -6.448 12.449 -1.921 77 HB VAL 9 HB VAL 9 -8.834 11.725 -1.743 78 1HG1 VAL 9 HG11 VAL 9 -8.824 10.776 -3.845 79 2HG1 VAL 9 HG12 VAL 9 -7.187 11.472 -3.789 80 3HG1 VAL 9 HG13 VAL 9 -7.425 9.734 -3.491 81 1HG2 VAL 9 HG21 VAL 9 -9.089 9.988 -0.289 82 2HG2 VAL 9 HG22 VAL 9 -8.904 9.042 -1.786 83 3HG2 VAL 9 HG23 VAL 9 -7.513 9.266 -0.697 84 H ALA 10 HN ALA 10 -5.407 11.026 0.859 85 HA ALA 10 HA ALA 10 -7.241 12.377 2.653 86 1HB ALA 10 HB1 ALA 10 -4.780 10.638 3.081 87 2HB ALA 10 HB2 ALA 10 -5.777 11.314 4.392 88 3HB ALA 10 HB3 ALA 10 -6.482 10.146 3.249 89 H GLU 11 HN GLU 11 -4.360 13.023 0.855 90 HA GLU 11 HA GLU 11 -2.798 14.548 0.978 91 1HB GLU 11 HB2 GLU 11 -3.595 16.837 1.166 92 2HB GLU 11 HB3 GLU 11 -4.835 15.882 0.378 93 1HG GLU 11 HG2 GLU 11 -6.165 15.758 2.395 94 2HG GLU 11 HG3 GLU 11 -4.850 16.357 3.387 95 H THR 12 HN THR 12 -3.453 12.934 3.559 96 HA THR 12 HA THR 12 -2.846 14.643 5.736 97 HB THR 12 HB THR 12 -4.035 12.333 5.691 98 HG1 THR 12 HG1 THR 12 -2.948 13.639 7.538 99 1HG2 THR 12 HG21 THR 12 -2.669 10.366 5.857 100 2HG2 THR 12 HG22 THR 12 -2.019 11.228 4.441 101 3HG2 THR 12 HG23 THR 12 -1.175 11.322 6.006 102 H GLY 13 HN GLY 13 -0.830 12.253 3.896 103 1HA GLY 13 HA1 GLY 13 1.379 13.335 3.289 104 2HA GLY 13 HA2 GLY 13 1.544 13.611 5.012 105 H ILE 14 HN ILE 14 -0.252 10.740 4.387 106 HA ILE 14 HA ILE 14 0.211 8.629 4.907 107 HB ILE 14 HB ILE 14 2.401 9.249 2.927 108 1HG1 ILE 14 HG12 ILE 14 0.886 8.947 1.298 109 2HG1 ILE 14 HG13 ILE 14 0.127 7.589 2.105 110 1HG2 ILE 14 HG21 ILE 14 1.504 6.460 3.144 111 2HG2 ILE 14 HG22 ILE 14 3.138 7.136 2.938 112 3HG2 ILE 14 HG23 ILE 14 2.407 7.050 4.559 113 1HD1 ILE 14 HD11 ILE 14 -0.950 9.273 3.712 114 2HD1 ILE 14 HD12 ILE 14 -0.357 10.552 2.625 115 3HD1 ILE 14 HD13 ILE 14 -1.520 9.345 2.027 116 H HIS 15 HN HIS 15 0.716 9.664 7.147 117 HA HIS 15 HA HIS 15 3.534 9.383 7.794 118 1HB HIS 15 HB2 HIS 15 2.575 10.219 10.086 119 2HB HIS 15 HB3 HIS 15 2.836 11.332 8.758 120 HD2 HIS 15 HD2 HIS 15 0.484 12.394 7.581 121 HE1 HIS 15 HE1 HIS 15 -2.197 10.723 10.432 122 HE2 HIS 15 HE2 HIS 15 -1.891 12.421 8.504 123 H ALA 16 HN ALA 16 3.726 8.427 10.260 124 HA ALA 16 HA ALA 16 3.552 5.753 10.095 125 1HB ALA 16 HB1 ALA 16 4.674 7.139 11.872 126 2HB ALA 16 HB2 ALA 16 3.082 7.362 12.636 127 3HB ALA 16 HB3 ALA 16 3.787 5.733 12.508 128 H ARG 17 HN ARG 17 0.929 8.045 10.869 129 HA ARG 17 HA ARG 17 -0.828 6.118 11.845 130 1HB ARG 17 HB2 ARG 17 -1.738 8.633 10.400 131 2HB ARG 17 HB3 ARG 17 -2.471 7.857 11.790 132 1HG ARG 17 HG2 ARG 17 0.281 9.182 11.838 133 2HG ARG 17 HG3 ARG 17 -1.196 9.983 12.335 134 1HD ARG 17 HD2 ARG 17 -0.629 7.303 13.579 135 2HD ARG 17 HD3 ARG 17 0.392 8.637 14.078 136 HE ARG 17 HE ARG 17 -2.331 9.517 14.139 137 1HH1 ARG 17 HH22 ARG 17 -0.167 7.329 15.847 138 2HH1 ARG 17 HH21 ARG 17 -1.024 7.448 17.347 139 1HH2 ARG 17 HH12 ARG 17 -3.462 9.674 16.118 140 2HH2 ARG 17 HH11 ARG 17 -2.911 8.791 17.503 141 HA PRO 18 HA PRO 18 -2.678 6.028 7.504 142 1HB PRO 18 HB2 PRO 18 -1.929 7.825 5.586 143 2HB PRO 18 HB3 PRO 18 -3.302 8.072 6.647 144 1HG PRO 18 HG2 PRO 18 -0.637 9.348 6.737 145 2HG PRO 18 HG3 PRO 18 -2.129 9.869 7.492 146 1HD PRO 18 HD2 PRO 18 0.088 8.584 8.780 147 2HD PRO 18 HD3 PRO 18 -1.450 9.001 9.510 148 H ALA 19 HN ALA 19 0.702 6.796 7.542 149 HA ALA 19 HA ALA 19 1.430 5.465 5.218 150 1HB ALA 19 HB1 ALA 19 2.819 7.011 6.669 151 2HB ALA 19 HB2 ALA 19 3.026 5.652 7.799 152 3HB ALA 19 HB3 ALA 19 3.655 5.532 6.138 153 H THR 20 HN THR 20 1.333 4.264 8.649 154 HA THR 20 HA THR 20 1.902 1.588 7.850 155 HB THR 20 HB THR 20 0.609 2.174 10.488 156 HG1 THR 20 HG1 THR 20 2.332 3.594 11.042 157 1HG2 THR 20 HG21 THR 20 1.887 0.071 10.136 158 2HG2 THR 20 HG22 THR 20 3.308 1.010 9.620 159 3HG2 THR 20 HG23 THR 20 2.739 1.110 11.303 160 H LEU 21 HN LEU 21 -1.060 3.498 8.417 161 HA LEU 21 HA LEU 21 -2.939 1.624 8.757 162 1HB LEU 21 HB2 LEU 21 -3.077 4.177 8.389 163 2HB LEU 21 HB3 LEU 21 -3.305 3.781 6.697 164 HG LEU 21 HG LEU 21 -5.085 2.994 9.016 165 1HD1 LEU 21 HD11 LEU 21 -5.232 5.337 8.138 166 2HD1 LEU 21 HD12 LEU 21 -5.728 4.657 6.570 167 3HD1 LEU 21 HD13 LEU 21 -6.737 4.395 8.013 168 1HD2 LEU 21 HD21 LEU 21 -4.997 1.100 7.533 169 2HD2 LEU 21 HD22 LEU 21 -6.551 1.939 7.310 170 3HD2 LEU 21 HD23 LEU 21 -5.250 2.143 6.113 171 H LEU 22 HN LEU 22 -1.492 2.535 5.556 172 HA LEU 22 HA LEU 22 -2.912 0.465 4.216 173 1HB LEU 22 HB2 LEU 22 -1.330 1.091 2.344 174 2HB LEU 22 HB3 LEU 22 -2.435 2.323 2.920 175 HG LEU 22 HG LEU 22 -0.024 2.597 4.413 176 1HD1 LEU 22 HD11 LEU 22 1.654 2.941 2.726 177 2HD1 LEU 22 HD12 LEU 22 1.024 1.283 2.578 178 3HD1 LEU 22 HD13 LEU 22 0.502 2.540 1.430 179 1HD2 LEU 22 HD21 LEU 22 -0.302 4.785 3.928 180 2HD2 LEU 22 HD22 LEU 22 -0.593 4.484 2.197 181 3HD2 LEU 22 HD23 LEU 22 -1.901 4.228 3.378 182 H VAL 23 HN VAL 23 0.546 0.952 5.209 183 HA VAL 23 HA VAL 23 1.459 -1.503 4.315 184 HB VAL 23 HB VAL 23 3.398 -0.901 5.290 185 1HG1 VAL 23 HG11 VAL 23 2.310 1.776 6.011 186 2HG1 VAL 23 HG12 VAL 23 3.694 1.335 4.983 187 3HG1 VAL 23 HG13 VAL 23 2.038 1.219 4.342 188 1HG2 VAL 23 HG21 VAL 23 1.732 -0.241 7.709 189 2HG2 VAL 23 HG22 VAL 23 3.078 -1.394 7.537 190 3HG2 VAL 23 HG23 VAL 23 3.404 0.356 7.584 191 H GLN 24 HN GLN 24 -0.020 -0.533 7.464 192 HA GLN 24 HA GLN 24 0.383 -2.933 8.743 193 1HB GLN 24 HB2 GLN 24 -1.324 -2.185 10.309 194 2HB GLN 24 HB3 GLN 24 -0.371 -0.800 9.818 195 1HG GLN 24 HG2 GLN 24 -2.095 0.101 8.490 196 2HG GLN 24 HG3 GLN 24 -2.859 -1.456 8.235 197 1HE2 GLN 24 HE21 GLN 24 -4.865 -0.867 8.886 198 2HE2 GLN 24 HE22 GLN 24 -5.298 -0.479 10.518 199 H THR 25 HN THR 25 -2.189 -1.857 6.481 200 HA THR 25 HA THR 25 -3.644 -4.341 6.830 201 HB THR 25 HB THR 25 -4.087 -1.626 5.751 202 HG1 THR 25 HG1 THR 25 -5.589 -3.979 6.646 203 1HG2 THR 25 HG21 THR 25 -5.969 -2.586 4.229 204 2HG2 THR 25 HG22 THR 25 -4.321 -2.594 3.556 205 3HG2 THR 25 HG23 THR 25 -5.022 -4.092 4.214 206 H ALA 26 HN ALA 26 -1.262 -2.892 4.644 207 HA ALA 26 HA ALA 26 -1.695 -4.949 2.663 208 1HB ALA 26 HB1 ALA 26 0.198 -2.595 2.960 209 2HB ALA 26 HB2 ALA 26 0.330 -3.764 1.624 210 3HB ALA 26 HB3 ALA 26 -1.149 -2.791 1.813 211 H SER 27 HN SER 27 0.423 -4.213 5.426 212 HA SER 27 HA SER 27 2.145 -6.409 4.700 213 1HB SER 27 HB2 SER 27 3.700 -5.515 6.173 214 2HB SER 27 HB3 SER 27 2.823 -4.062 5.736 215 HG SER 27 HG SER 27 2.590 -5.636 8.141 216 H LYS 28 HN LYS 28 -0.497 -7.240 5.180 217 HA LYS 28 HA LYS 28 -0.077 -8.889 7.521 218 1HB LYS 28 HB2 LYS 28 -2.397 -8.370 8.360 219 2HB LYS 28 HB3 LYS 28 -1.202 -7.112 8.605 220 1HG LYS 28 HG2 LYS 28 -3.050 -5.911 7.757 221 2HG LYS 28 HG3 LYS 28 -2.049 -6.126 6.336 222 1HD LYS 28 HD2 LYS 28 -4.308 -6.696 5.693 223 2HD LYS 28 HD3 LYS 28 -3.406 -8.196 5.762 224 1HE LYS 28 HE2 LYS 28 -4.706 -7.398 8.330 225 2HE LYS 28 HE3 LYS 28 -5.818 -7.777 7.030 226 1HZ LYS 28 HZ1 LYS 28 -4.142 -9.779 6.795 227 2HZ LYS 28 HZ2 LYS 28 -3.964 -9.505 8.396 228 3HZ LYS 28 HZ3 LYS 28 -5.442 -9.837 7.783 229 H PHE 29 HN PHE 29 -0.191 -8.994 4.460 230 HA PHE 29 HA PHE 29 -2.378 -10.948 4.299 231 1HB PHE 29 HB2 PHE 29 -0.990 -9.220 2.162 232 2HB PHE 29 HB3 PHE 29 -2.289 -10.347 1.826 233 HD1 PHE 29 HD1 PHE 29 -4.020 -9.713 4.236 234 HD2 PHE 29 HD2 PHE 29 -1.999 -7.208 1.471 235 HE1 PHE 29 HE1 PHE 29 -5.702 -7.897 4.652 236 HE2 PHE 29 HE2 PHE 29 -3.681 -5.392 1.886 237 HZ PHE 29 HZ PHE 29 -5.513 -5.758 3.472 238 H ASN 30 HN ASN 30 -1.895 -13.022 3.616 239 HA ASN 30 HA ASN 30 0.764 -13.811 3.758 240 1HB ASN 30 HB2 ASN 30 -1.860 -15.095 3.006 241 2HB ASN 30 HB3 ASN 30 -0.404 -15.942 2.520 242 1HD2 ASN 30 HD21 ASN 30 -2.658 -15.821 4.811 243 2HD2 ASN 30 HD22 ASN 30 -1.791 -16.351 6.214 244 H SER 31 HN SER 31 -0.864 -12.112 1.347 245 HA SER 31 HA SER 31 0.493 -13.455 -0.830 246 1HB SER 31 HB2 SER 31 -1.727 -11.398 -0.667 247 2HB SER 31 HB3 SER 31 -0.856 -11.631 -2.169 248 HG SER 31 HG SER 31 -1.630 -14.053 -1.040 249 H ASP 32 HN ASP 32 1.212 -11.609 -2.617 250 HA ASP 32 HA ASP 32 3.174 -10.085 -1.162 251 1HB ASP 32 HB2 ASP 32 2.873 -11.214 -3.884 252 2HB ASP 32 HB3 ASP 32 3.548 -9.597 -3.894 253 H ILE 33 HN ILE 33 2.081 -8.198 -0.399 254 HA ILE 33 HA ILE 33 0.839 -6.558 -2.497 255 HB ILE 33 HB ILE 33 -0.726 -7.578 -0.808 256 1HG1 ILE 33 HG12 ILE 33 -0.929 -5.327 -2.180 257 2HG1 ILE 33 HG13 ILE 33 -2.142 -5.803 -1.009 258 1HG2 ILE 33 HG21 ILE 33 0.018 -7.543 1.306 259 2HG2 ILE 33 HG22 ILE 33 1.108 -6.167 1.012 260 3HG2 ILE 33 HG23 ILE 33 -0.620 -5.881 1.328 261 1HD1 ILE 33 HD11 ILE 33 0.225 -4.152 -0.097 262 2HD1 ILE 33 HD12 ILE 33 -1.143 -3.365 -0.920 263 3HD1 ILE 33 HD13 ILE 33 -1.410 -4.250 0.601 264 H ASN 34 HN ASN 34 1.803 -4.628 -2.863 265 HA ASN 34 HA ASN 34 3.338 -3.506 -0.676 266 1HB ASN 34 HB2 ASN 34 4.379 -3.692 -3.550 267 2HB ASN 34 HB3 ASN 34 5.235 -2.998 -2.188 268 1HD2 ASN 34 HD21 ASN 34 6.274 -5.014 -3.774 269 2HD2 ASN 34 HD22 ASN 34 6.452 -6.471 -2.853 270 H LEU 35 HN LEU 35 4.156 -1.141 -1.592 271 HA LEU 35 HA LEU 35 1.882 -0.017 -3.075 272 1HB LEU 35 HB2 LEU 35 1.528 1.485 -1.496 273 2HB LEU 35 HB3 LEU 35 2.493 0.457 -0.456 274 HG LEU 35 HG LEU 35 4.504 1.787 -1.007 275 1HD1 LEU 35 HD11 LEU 35 4.457 2.892 -2.951 276 2HD1 LEU 35 HD12 LEU 35 2.679 2.974 -2.976 277 3HD1 LEU 35 HD13 LEU 35 3.612 4.166 -2.039 278 1HD2 LEU 35 HD21 LEU 35 2.095 2.965 0.300 279 2HD2 LEU 35 HD22 LEU 35 3.677 2.521 0.985 280 3HD2 LEU 35 HD23 LEU 35 3.507 4.016 0.036 281 H GLU 36 HN GLU 36 2.346 1.639 -4.608 282 HA GLU 36 HA GLU 36 5.189 1.978 -5.127 283 1HB GLU 36 HB2 GLU 36 4.412 0.293 -6.712 284 2HB GLU 36 HB3 GLU 36 3.029 1.272 -7.157 285 1HG GLU 36 HG2 GLU 36 5.706 2.585 -7.459 286 2HG GLU 36 HG3 GLU 36 5.381 1.257 -8.554 287 H TYR 37 HN TYR 37 5.678 4.123 -5.032 288 HA TYR 37 HA TYR 37 3.542 6.003 -5.786 289 1HB TYR 37 HB2 TYR 37 4.171 6.081 -3.385 290 2HB TYR 37 HB3 TYR 37 5.877 6.019 -3.782 291 HD1 TYR 37 HD1 TYR 37 3.484 8.177 -5.602 292 HD2 TYR 37 HD2 TYR 37 6.479 8.003 -2.552 293 HE1 TYR 37 HE1 TYR 37 3.591 10.717 -5.552 294 HE2 TYR 37 HE2 TYR 37 6.576 10.543 -2.512 295 HH TYR 37 HH TYR 37 4.474 12.461 -4.646 296 H LYS 38 HN LYS 38 3.916 7.068 -7.659 297 HA LYS 38 HA LYS 38 4.974 8.167 -9.260 298 1HB LYS 38 HB2 LYS 38 7.428 8.160 -7.478 299 2HB LYS 38 HB3 LYS 38 7.151 9.186 -8.872 300 1HG LYS 38 HG2 LYS 38 4.854 9.639 -7.368 301 2HG LYS 38 HG3 LYS 38 6.061 9.409 -6.118 302 1HD LYS 38 HD2 LYS 38 6.471 11.297 -8.479 303 2HD LYS 38 HD3 LYS 38 5.764 11.817 -6.962 304 1HE LYS 38 HE2 LYS 38 7.796 11.226 -5.730 305 2HE LYS 38 HE3 LYS 38 8.491 10.455 -7.141 306 1HZ LYS 38 HZ1 LYS 38 9.126 12.406 -7.936 307 2HZ LYS 38 HZ2 LYS 38 7.705 13.147 -7.618 308 3HZ LYS 38 HZ3 LYS 38 8.839 13.020 -6.450 309 H GLY 39 HN GLY 39 5.389 5.067 -8.384 310 1HA GLY 39 HA1 GLY 39 5.790 3.563 -10.257 311 2HA GLY 39 HA2 GLY 39 7.210 4.511 -10.649 312 H LYS 40 HN LYS 40 7.259 4.687 -7.375 313 HA LYS 40 HA LYS 40 9.160 2.516 -7.203 314 1HB LYS 40 HB2 LYS 40 9.619 4.841 -6.359 315 2HB LYS 40 HB3 LYS 40 8.408 4.585 -5.120 316 1HG LYS 40 HG2 LYS 40 10.614 2.540 -5.462 317 2HG LYS 40 HG3 LYS 40 10.969 4.043 -4.636 318 1HD LYS 40 HD2 LYS 40 8.660 2.195 -3.874 319 2HD LYS 40 HD3 LYS 40 10.235 2.152 -3.106 320 1HE LYS 40 HE2 LYS 40 8.175 4.385 -3.043 321 2HE LYS 40 HE3 LYS 40 8.900 3.542 -1.689 322 1HZ LYS 40 HZ1 LYS 40 10.185 5.354 -1.684 323 2HZ LYS 40 HZ2 LYS 40 11.045 4.557 -2.821 324 3HZ LYS 40 HZ3 LYS 40 9.964 5.698 -3.265 325 H SER 41 HN SER 41 8.191 0.533 -7.041 326 HA SER 41 HA SER 41 5.969 0.345 -5.182 327 1HB SER 41 HB2 SER 41 5.944 -0.557 -7.647 328 2HB SER 41 HB3 SER 41 6.915 -1.874 -7.021 329 HG SER 41 HG SER 41 4.281 -1.724 -6.972 330 H VAL 42 HN VAL 42 6.463 -0.312 -3.125 331 HA VAL 42 HA VAL 42 8.362 -2.475 -2.799 332 HB VAL 42 HB VAL 42 9.747 -1.332 -1.243 333 1HG1 VAL 42 HG11 VAL 42 10.334 -1.047 -3.612 334 2HG1 VAL 42 HG12 VAL 42 9.355 0.438 -3.681 335 3HG1 VAL 42 HG13 VAL 42 10.806 0.376 -2.652 336 1HG2 VAL 42 HG21 VAL 42 8.356 1.301 -1.658 337 2HG2 VAL 42 HG22 VAL 42 7.725 0.146 -0.460 338 3HG2 VAL 42 HG23 VAL 42 9.389 0.759 -0.313 339 H ASN 43 HN ASN 43 7.961 -3.704 -0.914 340 HA ASN 43 HA ASN 43 5.471 -3.998 -0.101 341 1HB ASN 43 HB2 ASN 43 7.706 -4.183 1.963 342 2HB ASN 43 HB3 ASN 43 6.320 -5.241 1.779 343 1HD2 ASN 43 HD21 ASN 43 9.561 -4.745 1.093 344 2HD2 ASN 43 HD22 ASN 43 9.822 -5.985 -0.088 345 H LEU 44 HN LEU 44 4.418 -1.875 0.127 346 HA LEU 44 HA LEU 44 4.859 0.340 1.245 347 1HB LEU 44 HB2 LEU 44 2.644 -0.640 2.795 348 2HB LEU 44 HB3 LEU 44 2.672 0.507 1.470 349 HG LEU 44 HG LEU 44 2.679 -1.456 -0.121 350 1HD1 LEU 44 HD11 LEU 44 3.520 -3.150 1.443 351 2HD1 LEU 44 HD12 LEU 44 2.011 -3.033 2.380 352 3HD1 LEU 44 HD13 LEU 44 1.974 -3.636 0.706 353 1HD2 LEU 44 HD21 LEU 44 0.322 -1.074 1.742 354 2HD2 LEU 44 HD22 LEU 44 0.663 -0.198 0.230 355 3HD2 LEU 44 HD23 LEU 44 0.253 -1.930 0.183 356 H LYS 45 HN LYS 45 4.803 -2.660 3.236 357 HA LYS 45 HA LYS 45 5.267 -1.346 5.676 358 1HB LYS 45 HB2 LYS 45 4.527 -3.839 4.981 359 2HB LYS 45 HB3 LYS 45 6.228 -4.136 5.273 360 1HG LYS 45 HG2 LYS 45 5.603 -2.566 7.456 361 2HG LYS 45 HG3 LYS 45 4.077 -3.389 7.199 362 1HD LYS 45 HD2 LYS 45 5.153 -4.935 8.576 363 2HD LYS 45 HD3 LYS 45 5.596 -5.561 7.001 364 1HE LYS 45 HE2 LYS 45 7.678 -3.910 7.257 365 2HE LYS 45 HE3 LYS 45 7.293 -4.003 8.964 366 1HZ LYS 45 HZ1 LYS 45 7.396 -6.500 7.513 367 2HZ LYS 45 HZ2 LYS 45 8.820 -5.748 7.785 368 3HZ LYS 45 HZ3 LYS 45 7.863 -6.164 9.041 369 H SER 46 HN SER 46 7.123 -1.257 2.955 370 HA SER 46 HA SER 46 9.639 -1.701 4.260 371 1HB SER 46 HB2 SER 46 9.195 -2.326 1.849 372 2HB SER 46 HB3 SER 46 9.064 -0.620 1.466 373 HG SER 46 HG SER 46 11.248 -1.839 1.230 374 H ILE 47 HN ILE 47 9.348 -0.008 5.940 375 HA ILE 47 HA ILE 47 8.743 2.579 5.629 376 HB ILE 47 HB ILE 47 9.893 1.018 7.571 377 1HG1 ILE 47 HG12 ILE 47 9.474 2.900 9.048 378 2HG1 ILE 47 HG13 ILE 47 9.469 4.017 7.697 379 1HG2 ILE 47 HG21 ILE 47 11.859 3.165 6.759 380 2HG2 ILE 47 HG22 ILE 47 11.805 2.466 8.394 381 3HG2 ILE 47 HG23 ILE 47 12.148 1.424 6.992 382 1HD1 ILE 47 HD11 ILE 47 7.203 2.910 8.705 383 2HD1 ILE 47 HD12 ILE 47 7.361 3.394 6.999 384 3HD1 ILE 47 HD13 ILE 47 7.596 1.693 7.467 385 H MET 48 HN MET 48 12.081 1.220 5.146 386 HA MET 48 HA MET 48 13.393 3.409 4.439 387 1HB MET 48 HB2 MET 48 14.384 1.669 2.561 388 2HB MET 48 HB3 MET 48 14.757 1.532 4.267 389 1HG MET 48 HG2 MET 48 13.333 -0.290 4.585 390 2HG MET 48 HG3 MET 48 12.214 0.223 3.339 391 1HE MET 48 HE1 MET 48 14.075 -0.702 0.050 392 2HE MET 48 HE2 MET 48 12.516 -0.228 0.766 393 3HE MET 48 HE3 MET 48 13.922 0.857 0.895 394 H GLY 49 HN GLY 49 12.035 1.285 1.818 395 1HA GLY 49 HA1 GLY 49 12.206 3.180 -0.206 396 2HA GLY 49 HA2 GLY 49 11.151 1.780 -0.187 397 H VAL 50 HN VAL 50 9.526 2.429 2.107 398 HA VAL 50 HA VAL 50 7.654 4.121 0.867 399 HB VAL 50 HB VAL 50 7.806 2.322 3.051 400 1HG1 VAL 50 HG11 VAL 50 8.047 4.120 4.615 401 2HG1 VAL 50 HG12 VAL 50 6.760 5.062 3.823 402 3HG1 VAL 50 HG13 VAL 50 6.358 3.564 4.697 403 1HG2 VAL 50 HG21 VAL 50 5.325 2.409 2.882 404 2HG2 VAL 50 HG22 VAL 50 5.477 3.809 1.793 405 3HG2 VAL 50 HG23 VAL 50 6.128 2.226 1.304 406 H MET 51 HN MET 51 9.698 4.565 3.844 407 HA MET 51 HA MET 51 9.010 7.018 4.550 408 1HB MET 51 HB2 MET 51 10.805 5.622 5.613 409 2HB MET 51 HB3 MET 51 11.869 5.938 4.257 410 1HG MET 51 HG2 MET 51 12.464 7.446 6.095 411 2HG MET 51 HG3 MET 51 11.792 8.395 4.783 412 1HE MET 51 HE1 MET 51 10.307 6.045 7.486 413 2HE MET 51 HE2 MET 51 8.833 6.926 7.957 414 3HE MET 51 HE3 MET 51 9.002 6.292 6.302 415 H SER 52 HN SER 52 11.245 6.204 1.829 416 HA SER 52 HA SER 52 11.759 8.916 1.257 417 1HB SER 52 HB2 SER 52 12.807 7.991 -0.828 418 2HB SER 52 HB3 SER 52 13.390 7.228 0.637 419 HG SER 52 HG SER 52 11.220 5.827 -0.183 420 H LEU 53 HN LEU 53 9.239 6.593 0.458 421 HA LEU 53 HA LEU 53 8.336 8.138 -1.820 422 1HB LEU 53 HB2 LEU 53 7.200 6.315 -2.433 423 2HB LEU 53 HB3 LEU 53 8.346 5.513 -1.378 424 HG LEU 53 HG LEU 53 6.631 5.671 0.471 425 1HD1 LEU 53 HD11 LEU 53 4.315 5.864 -1.216 426 2HD1 LEU 53 HD12 LEU 53 4.752 6.819 0.221 427 3HD1 LEU 53 HD13 LEU 53 5.306 7.332 -1.391 428 1HD2 LEU 53 HD21 LEU 53 7.083 3.635 -0.927 429 2HD2 LEU 53 HD22 LEU 53 5.452 3.717 -0.219 430 3HD2 LEU 53 HD23 LEU 53 5.695 4.100 -1.940 431 H GLY 54 HN GLY 54 6.933 7.008 1.342 432 1HA GLY 54 HA1 GLY 54 4.919 7.828 2.219 433 2HA GLY 54 HA2 GLY 54 6.121 9.023 2.664 434 H VAL 55 HN VAL 55 3.201 8.408 0.903 435 HA VAL 55 HA VAL 55 3.449 10.874 -0.628 436 HB VAL 55 HB VAL 55 0.951 9.794 -1.097 437 1HG1 VAL 55 HG11 VAL 55 3.175 8.795 -2.798 438 2HG1 VAL 55 HG12 VAL 55 1.694 9.679 -3.240 439 3HG1 VAL 55 HG13 VAL 55 3.087 10.558 -2.565 440 1HG2 VAL 55 HG21 VAL 55 1.631 7.805 0.272 441 2HG2 VAL 55 HG22 VAL 55 1.199 7.423 -1.412 442 3HG2 VAL 55 HG23 VAL 55 2.910 7.483 -0.924 443 H GLY 56 HN GLY 56 0.932 11.893 -0.698 444 1HA GLY 56 HA1 GLY 56 -0.597 12.010 1.574 445 2HA GLY 56 HA2 GLY 56 0.714 13.135 1.871 446 H GLN 57 HN GLN 57 0.890 15.082 0.654 447 HA GLN 57 HA GLN 57 -1.247 16.424 0.012 448 1HB GLN 57 HB2 GLN 57 0.132 17.798 -1.536 449 2HB GLN 57 HB3 GLN 57 1.006 17.385 -0.075 450 1HG GLN 57 HG2 GLN 57 1.870 15.313 -1.473 451 2HG GLN 57 HG3 GLN 57 1.352 16.245 -2.864 452 1HE2 GLN 57 HE21 GLN 57 3.699 15.802 -0.433 453 2HE2 GLN 57 HE22 GLN 57 4.766 17.109 -0.824 454 H GLY 58 HN GLY 58 -2.857 14.878 -0.815 455 1HA GLY 58 HA1 GLY 58 -3.997 13.776 -2.423 456 2HA GLY 58 HA2 GLY 58 -3.563 15.155 -3.414 457 H SER 59 HN SER 59 -0.731 13.564 -2.319 458 HA SER 59 HA SER 59 0.217 12.963 -4.748 459 1HB SER 59 HB2 SER 59 0.768 11.230 -2.306 460 2HB SER 59 HB3 SER 59 1.855 11.554 -3.642 461 HG SER 59 HG SER 59 1.155 13.959 -2.666 462 H ASP 60 HN ASP 60 0.691 10.725 -5.746 463 HA ASP 60 HA ASP 60 -1.635 9.012 -5.348 464 1HB ASP 60 HB2 ASP 60 -1.594 8.513 -7.761 465 2HB ASP 60 HB3 ASP 60 -1.775 10.236 -7.502 466 H VAL 61 HN VAL 61 -1.180 6.690 -5.573 467 HA VAL 61 HA VAL 61 1.570 5.931 -6.091 468 HB VAL 61 HB VAL 61 1.660 4.610 -3.995 469 1HG1 VAL 61 HG11 VAL 61 2.669 6.939 -4.323 470 2HG1 VAL 61 HG12 VAL 61 1.304 7.546 -3.355 471 3HG1 VAL 61 HG13 VAL 61 2.451 6.384 -2.646 472 1HG2 VAL 61 HG21 VAL 61 -1.043 5.176 -3.794 473 2HG2 VAL 61 HG22 VAL 61 -0.019 4.483 -2.513 474 3HG2 VAL 61 HG23 VAL 61 -0.315 6.238 -2.566 475 H THR 62 HN THR 62 1.649 3.352 -5.851 476 HA THR 62 HA THR 62 -0.911 2.280 -6.821 477 HB THR 62 HB THR 62 1.774 2.427 -8.165 478 HG1 THR 62 HG1 THR 62 -0.013 3.497 -9.106 479 1HG2 THR 62 HG21 THR 62 1.775 0.046 -8.101 480 2HG2 THR 62 HG22 THR 62 -0.003 -0.042 -8.084 481 3HG2 THR 62 HG23 THR 62 0.852 0.395 -9.583 482 H ILE 63 HN ILE 63 -1.499 0.313 -6.034 483 HA ILE 63 HA ILE 63 0.412 -0.857 -4.141 484 HB ILE 63 HB ILE 63 -2.226 -0.012 -3.813 485 1HG1 ILE 63 HG12 ILE 63 -1.701 -1.607 -1.629 486 2HG1 ILE 63 HG13 ILE 63 -0.090 -1.292 -2.243 487 1HG2 ILE 63 HG21 ILE 63 -2.763 -2.240 -4.989 488 2HG2 ILE 63 HG22 ILE 63 -2.217 -3.005 -3.478 489 3HG2 ILE 63 HG23 ILE 63 -3.588 -1.870 -3.456 490 1HD1 ILE 63 HD11 ILE 63 -0.193 0.729 -1.222 491 2HD1 ILE 63 HD12 ILE 63 -1.410 1.200 -2.433 492 3HD1 ILE 63 HD13 ILE 63 -1.926 0.520 -0.871 493 H THR 64 HN THR 64 0.429 -3.253 -3.983 494 HA THR 64 HA THR 64 -0.524 -4.589 -6.405 495 HB THR 64 HB THR 64 2.303 -5.086 -5.438 496 HG1 THR 64 HG1 THR 64 1.448 -3.075 -7.383 497 1HG2 THR 64 HG21 THR 64 2.307 -6.304 -7.371 498 2HG2 THR 64 HG22 THR 64 0.654 -5.761 -7.747 499 3HG2 THR 64 HG23 THR 64 2.051 -4.791 -8.273 500 H VAL 65 HN VAL 65 -0.977 -6.792 -6.167 501 HA VAL 65 HA VAL 65 -0.474 -7.940 -3.544 502 HB VAL 65 HB VAL 65 -2.724 -6.649 -3.686 503 1HG1 VAL 65 HG11 VAL 65 -3.076 -8.575 -5.791 504 2HG1 VAL 65 HG12 VAL 65 -4.262 -8.892 -4.503 505 3HG1 VAL 65 HG13 VAL 65 -4.175 -7.281 -5.256 506 1HG2 VAL 65 HG21 VAL 65 -2.050 -9.279 -2.503 507 2HG2 VAL 65 HG22 VAL 65 -2.636 -7.785 -1.732 508 3HG2 VAL 65 HG23 VAL 65 -3.784 -8.879 -2.542 509 H ASP 66 HN ASP 66 0.269 -9.981 -3.815 510 HA ASP 66 HA ASP 66 -0.753 -11.457 -6.084 511 1HB ASP 66 HB2 ASP 66 2.073 -12.045 -5.701 512 2HB ASP 66 HB3 ASP 66 1.238 -11.575 -7.169 513 H GLY 67 HN GLY 67 -1.247 -13.565 -5.405 514 1HA GLY 67 HA1 GLY 67 -0.136 -15.479 -4.165 515 2HA GLY 67 HA2 GLY 67 -0.180 -14.403 -2.783 516 H ALA 68 HN ALA 68 -1.588 -15.820 -1.592 517 HA ALA 68 HA ALA 68 -4.111 -16.560 -2.727 518 1HB ALA 68 HB1 ALA 68 -3.877 -18.132 -1.142 519 2HB ALA 68 HB2 ALA 68 -2.442 -17.295 -0.503 520 3HB ALA 68 HB3 ALA 68 -4.061 -16.881 0.112 521 H ASP 69 HN ASP 69 -3.064 -14.447 0.046 522 HA ASP 69 HA ASP 69 -5.519 -13.448 0.620 523 1HB ASP 69 HB2 ASP 69 -2.695 -12.584 0.982 524 2HB ASP 69 HB3 ASP 69 -3.849 -11.268 1.048 525 H GLU 70 HN GLU 70 -3.264 -12.713 -2.032 526 HA GLU 70 HA GLU 70 -3.419 -10.485 -3.044 527 1HB GLU 70 HB2 GLU 70 -4.169 -11.310 -5.286 528 2HB GLU 70 HB3 GLU 70 -3.036 -12.395 -4.504 529 1HG GLU 70 HG2 GLU 70 -4.609 -13.983 -5.049 530 2HG GLU 70 HG3 GLU 70 -5.349 -13.459 -3.550 531 H ALA 71 HN ALA 71 -6.558 -12.332 -3.171 532 HA ALA 71 HA ALA 71 -8.107 -10.149 -3.924 533 1HB ALA 71 HB1 ALA 71 -9.976 -11.609 -2.934 534 2HB ALA 71 HB2 ALA 71 -8.974 -12.347 -4.207 535 3HB ALA 71 HB3 ALA 71 -8.692 -12.763 -2.500 536 H GLU 72 HN GLU 72 -8.277 -11.732 -0.664 537 HA GLU 72 HA GLU 72 -9.469 -9.638 0.572 538 1HB GLU 72 HB2 GLU 72 -7.791 -10.809 2.531 539 2HB GLU 72 HB3 GLU 72 -9.458 -11.221 2.179 540 1HG GLU 72 HG2 GLU 72 -8.798 -12.932 0.588 541 2HG GLU 72 HG3 GLU 72 -7.133 -12.386 0.589 542 H GLY 73 HN GLY 73 -5.935 -10.300 0.187 543 1HA GLY 73 HA1 GLY 73 -4.823 -8.381 1.761 544 2HA GLY 73 HA2 GLY 73 -4.180 -8.885 0.211 545 H MET 74 HN MET 74 -5.056 -7.786 -1.795 546 HA MET 74 HA MET 74 -4.846 -5.069 -1.545 547 1HB MET 74 HB2 MET 74 -5.758 -5.078 -3.928 548 2HB MET 74 HB3 MET 74 -4.468 -6.236 -3.673 549 1HG MET 74 HG2 MET 74 -5.875 -7.830 -4.484 550 2HG MET 74 HG3 MET 74 -6.779 -7.687 -2.990 551 1HE MET 74 HE1 MET 74 -9.213 -7.128 -2.955 552 2HE MET 74 HE2 MET 74 -10.080 -7.133 -4.509 553 3HE MET 74 HE3 MET 74 -8.947 -8.449 -4.117 554 H ALA 75 HN ALA 75 -7.711 -7.188 -1.384 555 HA ALA 75 HA ALA 75 -9.741 -5.449 -1.878 556 1HB ALA 75 HB1 ALA 75 -10.528 -7.554 -1.454 557 2HB ALA 75 HB2 ALA 75 -9.324 -7.863 -0.180 558 3HB ALA 75 HB3 ALA 75 -10.769 -6.887 0.178 559 H ALA 76 HN ALA 76 -8.059 -5.983 1.300 560 HA ALA 76 HA ALA 76 -9.486 -3.992 2.651 561 1HB ALA 76 HB1 ALA 76 -8.365 -4.945 4.347 562 2HB ALA 76 HB2 ALA 76 -7.441 -5.908 3.169 563 3HB ALA 76 HB3 ALA 76 -6.824 -4.327 3.706 564 H ILE 77 HN ILE 77 -6.104 -3.945 1.304 565 HA ILE 77 HA ILE 77 -5.500 -1.354 1.799 566 HB ILE 77 HB ILE 77 -4.650 -3.429 -0.054 567 1HG1 ILE 77 HG12 ILE 77 -3.350 -3.056 1.871 568 2HG1 ILE 77 HG13 ILE 77 -2.408 -2.406 0.544 569 1HG2 ILE 77 HG21 ILE 77 -5.191 -1.787 -1.763 570 2HG2 ILE 77 HG22 ILE 77 -4.260 -0.543 -0.894 571 3HG2 ILE 77 HG23 ILE 77 -3.427 -1.952 -1.593 572 1HD1 ILE 77 HD11 ILE 77 -3.545 -1.022 2.869 573 2HD1 ILE 77 HD12 ILE 77 -2.279 -0.482 1.741 574 3HD1 ILE 77 HD13 ILE 77 -3.995 -0.229 1.340 575 H VAL 78 HN VAL 78 -7.119 -2.588 -1.215 576 HA VAL 78 HA VAL 78 -7.537 -0.162 -2.407 577 HB VAL 78 HB VAL 78 -9.466 -2.485 -2.421 578 1HG1 VAL 78 HG11 VAL 78 -9.477 -0.026 -3.778 579 2HG1 VAL 78 HG12 VAL 78 -8.913 -1.219 -4.972 580 3HG1 VAL 78 HG13 VAL 78 -10.466 -1.462 -4.136 581 1HG2 VAL 78 HG21 VAL 78 -7.584 -2.620 -4.578 582 2HG2 VAL 78 HG22 VAL 78 -6.688 -2.532 -3.042 583 3HG2 VAL 78 HG23 VAL 78 -7.902 -3.810 -3.294 584 H GLU 79 HN GLU 79 -9.916 -1.954 -0.314 585 HA GLU 79 HA GLU 79 -11.747 0.072 -0.217 586 1HB GLU 79 HB2 GLU 79 -11.181 -2.407 1.266 587 2HB GLU 79 HB3 GLU 79 -11.945 -1.197 2.278 588 1HG GLU 79 HG2 GLU 79 -13.256 -1.224 -0.315 589 2HG GLU 79 HG3 GLU 79 -13.177 -2.863 0.299 590 H THR 80 HN THR 80 -9.007 -0.649 2.047 591 HA THR 80 HA THR 80 -9.519 1.440 3.829 592 HB THR 80 HB THR 80 -7.555 -0.627 3.339 593 HG1 THR 80 HG1 THR 80 -8.271 1.321 5.406 594 1HG2 THR 80 HG21 THR 80 -5.800 0.862 2.759 595 2HG2 THR 80 HG22 THR 80 -6.493 2.195 3.712 596 3HG2 THR 80 HG23 THR 80 -5.691 0.835 4.535 597 H LEU 81 HN LEU 81 -7.478 1.337 0.850 598 HA LEU 81 HA LEU 81 -6.314 3.776 1.012 599 1HB LEU 81 HB2 LEU 81 -7.298 2.085 -1.240 600 2HB LEU 81 HB3 LEU 81 -6.760 3.713 -1.599 601 HG LEU 81 HG LEU 81 -5.176 1.462 -1.478 602 1HD1 LEU 81 HD11 LEU 81 -3.385 2.900 -1.971 603 2HD1 LEU 81 HD12 LEU 81 -4.832 3.738 -2.580 604 3HD1 LEU 81 HD13 LEU 81 -4.091 4.245 -1.043 605 1HD2 LEU 81 HD21 LEU 81 -4.419 3.064 0.964 606 2HD2 LEU 81 HD22 LEU 81 -5.455 1.619 1.060 607 3HD2 LEU 81 HD23 LEU 81 -3.799 1.487 0.420 608 H GLN 82 HN GLN 82 -9.660 3.034 -0.152 609 HA GLN 82 HA GLN 82 -10.141 5.884 -0.260 610 1HB GLN 82 HB2 GLN 82 -12.418 5.040 -1.201 611 2HB GLN 82 HB3 GLN 82 -10.990 4.854 -2.200 612 1HG GLN 82 HG2 GLN 82 -10.818 2.519 -1.743 613 2HG GLN 82 HG3 GLN 82 -11.825 2.626 -0.314 614 1HE2 GLN 82 HE21 GLN 82 -12.153 0.831 -2.478 615 2HE2 GLN 82 HE22 GLN 82 -13.683 1.129 -3.233 616 H LYS 83 HN LYS 83 -10.398 3.258 1.912 617 HA LYS 83 HA LYS 83 -12.820 4.149 3.185 618 1HB LYS 83 HB2 LYS 83 -12.814 2.010 3.790 619 2HB LYS 83 HB3 LYS 83 -11.191 1.787 3.169 620 1HG LYS 83 HG2 LYS 83 -10.215 2.584 5.287 621 2HG LYS 83 HG3 LYS 83 -11.801 2.994 5.908 622 1HD LYS 83 HD2 LYS 83 -10.605 0.648 6.488 623 2HD LYS 83 HD3 LYS 83 -12.347 0.797 6.375 624 1HE LYS 83 HE2 LYS 83 -12.194 0.127 3.930 625 2HE LYS 83 HE3 LYS 83 -10.475 -0.137 4.147 626 1HZ LYS 83 HZ1 LYS 83 -11.736 -1.478 6.185 627 2HZ LYS 83 HZ2 LYS 83 -12.590 -1.824 4.836 628 3HZ LYS 83 HZ3 LYS 83 -10.987 -2.128 4.887 629 H GLU 84 HN GLU 84 -9.265 4.374 3.667 630 HA GLU 84 HA GLU 84 -9.727 5.895 6.072 631 1HB GLU 84 HB2 GLU 84 -7.012 5.376 4.828 632 2HB GLU 84 HB3 GLU 84 -7.407 5.633 6.516 633 1HG GLU 84 HG2 GLU 84 -8.436 3.224 4.955 634 2HG GLU 84 HG3 GLU 84 -6.902 3.203 5.802 635 H GLY 85 HN GLY 85 -10.048 6.598 2.916 636 1HA GLY 85 HA1 GLY 85 -10.077 8.536 1.771 637 2HA GLY 85 HA2 GLY 85 -9.687 9.384 3.254 638 H LEU 86 HN LEU 86 -7.307 7.089 3.108 639 HA LEU 86 HA LEU 86 -5.279 8.866 2.546 640 1HB LEU 86 HB2 LEU 86 -5.593 6.017 3.039 641 2HB LEU 86 HB3 LEU 86 -4.283 6.344 1.922 642 HG LEU 86 HG LEU 86 -4.586 7.543 4.690 643 1HD1 LEU 86 HD11 LEU 86 -3.684 4.993 3.927 644 2HD1 LEU 86 HD12 LEU 86 -2.221 5.939 4.288 645 3HD1 LEU 86 HD13 LEU 86 -3.507 5.786 5.510 646 1HD2 LEU 86 HD21 LEU 86 -3.291 8.704 2.591 647 2HD2 LEU 86 HD22 LEU 86 -2.862 8.925 4.304 648 3HD2 LEU 86 HD23 LEU 86 -1.987 7.732 3.314 649 H ALA 87 HN ALA 87 -6.840 6.409 0.385 650 HA ALA 87 HA ALA 87 -5.872 8.019 -1.869 651 1HB ALA 87 HB1 ALA 87 -5.805 4.990 -1.571 652 2HB ALA 87 HB2 ALA 87 -5.489 5.865 -3.088 653 3HB ALA 87 HB3 ALA 87 -4.406 6.084 -1.693 654 H GLU 88 HN GLU 88 -7.142 7.167 -3.963 655 HA GLU 88 HA GLU 88 -9.887 7.485 -3.238 656 1HB GLU 88 HB2 GLU 88 -10.107 7.361 -5.853 657 2HB GLU 88 HB3 GLU 88 -9.354 8.764 -5.122 658 1HG GLU 88 HG2 GLU 88 -7.244 8.219 -5.898 659 2HG GLU 88 HG3 GLU 88 -7.500 6.495 -5.713 660 H GLN 89 HN GLN 89 -11.436 6.072 -4.916 661 HA GLN 89 HA GLN 89 -11.441 3.555 -3.823 662 1HB GLN 89 HB2 GLN 89 -13.131 3.035 -5.620 663 2HB GLN 89 HB3 GLN 89 -13.462 4.518 -4.746 664 1HG GLN 89 HG2 GLN 89 -11.869 5.468 -6.794 665 2HG GLN 89 HG3 GLN 89 -12.675 4.133 -7.595 666 1HE2 GLN 89 HE21 GLN 89 -12.953 7.278 -6.260 667 2HE2 GLN 89 HE22 GLN 89 -14.614 7.593 -6.638 Start of MODEL 15 1 H MET 1 HN MET 1 -1.265 -11.182 -6.805 2 HA MET 1 HA MET 1 -0.165 -11.849 -8.693 3 1HB MET 1 HB2 MET 1 -2.744 -13.404 -9.117 4 2HB MET 1 HB3 MET 1 -1.737 -13.060 -10.509 5 1HG MET 1 HG2 MET 1 -0.302 -14.143 -8.111 6 2HG MET 1 HG3 MET 1 -1.401 -15.255 -8.902 7 1HE MET 1 HE1 MET 1 1.048 -16.100 -8.594 8 2HE MET 1 HE2 MET 1 0.988 -16.923 -10.171 9 3HE MET 1 HE3 MET 1 2.354 -15.851 -9.777 10 H GLU 2 HN GLU 2 -2.161 -9.642 -7.842 11 HA GLU 2 HA GLU 2 -2.261 -8.453 -10.478 12 1HB GLU 2 HB2 GLU 2 -4.643 -8.323 -8.583 13 2HB GLU 2 HB3 GLU 2 -4.556 -7.680 -10.211 14 1HG GLU 2 HG2 GLU 2 -3.993 -10.190 -10.878 15 2HG GLU 2 HG3 GLU 2 -4.711 -10.574 -9.326 16 H LYS 3 HN LYS 3 -2.389 -6.052 -10.397 17 HA LYS 3 HA LYS 3 -1.455 -5.056 -7.795 18 1HB LYS 3 HB2 LYS 3 0.316 -4.133 -8.781 19 2HB LYS 3 HB3 LYS 3 -0.059 -5.108 -10.188 20 1HG LYS 3 HG2 LYS 3 -1.713 -3.159 -10.820 21 2HG LYS 3 HG3 LYS 3 -0.810 -2.214 -9.653 22 1HD LYS 3 HD2 LYS 3 0.186 -1.845 -11.841 23 2HD LYS 3 HD3 LYS 3 1.319 -2.782 -10.886 24 1HE LYS 3 HE2 LYS 3 0.834 -4.804 -12.058 25 2HE LYS 3 HE3 LYS 3 -0.686 -4.192 -12.679 26 1HZ LYS 3 HZ1 LYS 3 0.420 -3.549 -14.451 27 2HZ LYS 3 HZ2 LYS 3 1.274 -2.479 -13.561 28 3HZ LYS 3 HZ3 LYS 3 1.857 -3.984 -13.809 29 H LYS 4 HN LYS 4 -2.325 -3.104 -7.018 30 HA LYS 4 HA LYS 4 -4.547 -2.051 -8.624 31 1HB LYS 4 HB2 LYS 4 -5.185 -3.563 -6.640 32 2HB LYS 4 HB3 LYS 4 -4.618 -2.263 -5.612 33 1HG LYS 4 HG2 LYS 4 -6.974 -1.888 -5.903 34 2HG LYS 4 HG3 LYS 4 -6.173 -0.685 -6.894 35 1HD LYS 4 HD2 LYS 4 -6.427 -2.265 -8.883 36 2HD LYS 4 HD3 LYS 4 -7.389 -3.314 -7.861 37 1HE LYS 4 HE2 LYS 4 -8.977 -1.396 -7.437 38 2HE LYS 4 HE3 LYS 4 -8.035 -0.402 -8.530 39 1HZ LYS 4 HZ1 LYS 4 -8.458 -2.509 -10.046 40 2HZ LYS 4 HZ2 LYS 4 -9.809 -2.583 -9.132 41 3HZ LYS 4 HZ3 LYS 4 -9.480 -1.237 -9.996 42 H GLU 5 HN GLU 5 -3.934 -0.073 -9.318 43 HA GLU 5 HA GLU 5 -2.044 1.395 -7.745 44 1HB GLU 5 HB2 GLU 5 -3.430 2.204 -10.338 45 2HB GLU 5 HB3 GLU 5 -2.005 2.952 -9.645 46 1HG GLU 5 HG2 GLU 5 -0.762 1.494 -10.863 47 2HG GLU 5 HG3 GLU 5 -1.307 0.233 -9.774 48 H PHE 6 HN PHE 6 -2.420 3.432 -6.731 49 HA PHE 6 HA PHE 6 -5.149 4.426 -6.777 50 1HB PHE 6 HB2 PHE 6 -3.522 3.649 -4.280 51 2HB PHE 6 HB3 PHE 6 -5.074 4.463 -4.227 52 HD1 PHE 6 HD1 PHE 6 -3.943 1.603 -3.247 53 HD2 PHE 6 HD2 PHE 6 -6.559 2.941 -6.309 54 HE1 PHE 6 HE1 PHE 6 -5.108 -0.621 -3.224 55 HE2 PHE 6 HE2 PHE 6 -7.724 0.717 -6.286 56 HZ PHE 6 HZ PHE 6 -6.984 -1.037 -4.744 57 H HIS 7 HN HIS 7 -5.112 6.444 -5.024 58 HA HIS 7 HA HIS 7 -2.572 7.815 -5.238 59 1HB HIS 7 HB2 HIS 7 -3.208 8.897 -7.090 60 2HB HIS 7 HB3 HIS 7 -4.879 8.391 -6.932 61 HD1 HIS 7 HD1 HIS 7 -3.171 11.383 -7.250 62 HD2 HIS 7 HD2 HIS 7 -5.942 10.036 -4.403 63 HE1 HIS 7 HE1 HIS 7 -4.167 13.473 -6.177 64 H ILE 8 HN ILE 8 -2.275 9.389 -3.604 65 HA ILE 8 HA ILE 8 -3.954 9.014 -1.337 66 HB ILE 8 HB ILE 8 -1.644 10.895 -1.834 67 1HG1 ILE 8 HG12 ILE 8 -0.597 8.878 -1.990 68 2HG1 ILE 8 HG13 ILE 8 -0.583 9.060 -0.247 69 1HG2 ILE 8 HG21 ILE 8 -3.241 10.245 0.633 70 2HG2 ILE 8 HG22 ILE 8 -1.542 10.763 0.741 71 3HG2 ILE 8 HG23 ILE 8 -2.752 11.830 -0.013 72 1HD1 ILE 8 HD11 ILE 8 -2.784 7.764 -0.178 73 2HD1 ILE 8 HD12 ILE 8 -2.548 7.428 -1.910 74 3HD1 ILE 8 HD13 ILE 8 -1.371 6.825 -0.717 75 H VAL 9 HN VAL 9 -5.972 9.864 -1.287 76 HA VAL 9 HA VAL 9 -6.403 12.429 -2.593 77 HB VAL 9 HB VAL 9 -8.802 11.888 -2.071 78 1HG1 VAL 9 HG11 VAL 9 -9.041 10.642 -4.001 79 2HG1 VAL 9 HG12 VAL 9 -7.390 11.274 -4.208 80 3HG1 VAL 9 HG13 VAL 9 -7.639 9.606 -3.639 81 1HG2 VAL 9 HG21 VAL 9 -9.373 10.174 -0.762 82 2HG2 VAL 9 HG22 VAL 9 -8.403 9.041 -1.733 83 3HG2 VAL 9 HG23 VAL 9 -7.647 9.941 -0.397 84 H ALA 10 HN ALA 10 -5.006 11.656 0.179 85 HA ALA 10 HA ALA 10 -6.437 13.754 1.659 86 1HB ALA 10 HB1 ALA 10 -6.589 11.179 2.389 87 2HB ALA 10 HB2 ALA 10 -5.019 11.564 3.133 88 3HB ALA 10 HB3 ALA 10 -6.470 12.491 3.585 89 H GLU 11 HN GLU 11 -5.148 15.508 1.864 90 HA GLU 11 HA GLU 11 -2.480 15.453 1.149 91 1HB GLU 11 HB2 GLU 11 -2.415 17.766 1.957 92 2HB GLU 11 HB3 GLU 11 -3.922 17.480 1.109 93 1HG GLU 11 HG2 GLU 11 -4.846 16.864 3.524 94 2HG GLU 11 HG3 GLU 11 -3.455 17.769 4.088 95 H THR 12 HN THR 12 -3.877 14.031 3.822 96 HA THR 12 HA THR 12 -2.666 14.640 6.086 97 HB THR 12 HB THR 12 -3.666 12.243 4.790 98 HG1 THR 12 HG1 THR 12 -4.655 12.516 6.749 99 1HG2 THR 12 HG21 THR 12 -1.799 10.885 5.035 100 2HG2 THR 12 HG22 THR 12 -1.019 12.005 6.178 101 3HG2 THR 12 HG23 THR 12 -2.290 10.896 6.746 102 H GLY 13 HN GLY 13 -0.932 12.206 4.054 103 1HA GLY 13 HA1 GLY 13 1.329 12.997 3.293 104 2HA GLY 13 HA2 GLY 13 1.581 13.476 4.960 105 H ILE 14 HN ILE 14 -0.289 10.569 4.019 106 HA ILE 14 HA ILE 14 -0.033 8.512 4.937 107 HB ILE 14 HB ILE 14 2.122 8.995 2.918 108 1HG1 ILE 14 HG12 ILE 14 0.721 7.835 1.448 109 2HG1 ILE 14 HG13 ILE 14 -0.173 7.056 2.738 110 1HG2 ILE 14 HG21 ILE 14 1.887 6.208 3.219 111 2HG2 ILE 14 HG22 ILE 14 3.307 7.230 3.549 112 3HG2 ILE 14 HG23 ILE 14 2.154 6.860 4.854 113 1HD1 ILE 14 HD11 ILE 14 -0.211 10.068 2.253 114 2HD1 ILE 14 HD12 ILE 14 -1.426 8.941 1.604 115 3HD1 ILE 14 HD13 ILE 14 -1.255 9.147 3.363 116 H HIS 15 HN HIS 15 0.322 9.403 7.171 117 HA HIS 15 HA HIS 15 3.106 9.212 7.998 118 1HB HIS 15 HB2 HIS 15 1.936 10.013 10.227 119 2HB HIS 15 HB3 HIS 15 2.342 11.133 8.942 120 HD2 HIS 15 HD2 HIS 15 0.143 12.265 7.575 121 HE1 HIS 15 HE1 HIS 15 -2.848 10.535 10.059 122 HE2 HIS 15 HE2 HIS 15 -2.318 12.290 8.232 123 H ALA 16 HN ALA 16 3.249 8.215 10.404 124 HA ALA 16 HA ALA 16 3.082 5.551 10.238 125 1HB ALA 16 HB1 ALA 16 4.032 5.874 12.246 126 2HB ALA 16 HB2 ALA 16 3.403 7.538 12.306 127 3HB ALA 16 HB3 ALA 16 2.420 6.192 12.931 128 H ARG 17 HN ARG 17 0.416 7.817 10.962 129 HA ARG 17 HA ARG 17 -1.366 5.913 11.883 130 1HB ARG 17 HB2 ARG 17 -1.479 8.716 10.876 131 2HB ARG 17 HB3 ARG 17 -2.975 7.828 10.666 132 1HG ARG 17 HG2 ARG 17 -2.993 8.953 12.849 133 2HG ARG 17 HG3 ARG 17 -2.962 7.217 13.089 134 1HD ARG 17 HD2 ARG 17 -1.212 7.674 14.502 135 2HD ARG 17 HD3 ARG 17 -0.264 7.735 13.029 136 HE ARG 17 HE ARG 17 -1.218 10.304 13.189 137 1HH1 ARG 17 HH22 ARG 17 0.391 8.226 15.527 138 2HH1 ARG 17 HH21 ARG 17 1.131 9.540 16.379 139 1HH2 ARG 17 HH12 ARG 17 -0.243 12.040 14.311 140 2HH2 ARG 17 HH11 ARG 17 0.767 11.724 15.682 141 HA PRO 18 HA PRO 18 -3.072 5.574 7.508 142 1HB PRO 18 HB2 PRO 18 -2.430 7.383 5.562 143 2HB PRO 18 HB3 PRO 18 -3.832 7.549 6.599 144 1HG PRO 18 HG2 PRO 18 -1.270 9.020 6.697 145 2HG PRO 18 HG3 PRO 18 -2.808 9.445 7.421 146 1HD PRO 18 HD2 PRO 18 -0.521 8.354 8.765 147 2HD PRO 18 HD3 PRO 18 -2.096 8.670 9.465 148 H ALA 19 HN ALA 19 0.243 6.527 7.648 149 HA ALA 19 HA ALA 19 1.124 5.260 5.338 150 1HB ALA 19 HB1 ALA 19 3.312 5.431 6.348 151 2HB ALA 19 HB2 ALA 19 2.381 6.871 6.826 152 3HB ALA 19 HB3 ALA 19 2.608 5.535 7.980 153 H THR 20 HN THR 20 0.916 4.036 8.753 154 HA THR 20 HA THR 20 1.673 1.395 7.956 155 HB THR 20 HB THR 20 0.288 1.923 10.566 156 HG1 THR 20 HG1 THR 20 1.760 3.535 11.080 157 1HG2 THR 20 HG21 THR 20 3.154 1.023 10.043 158 2HG2 THR 20 HG22 THR 20 2.140 0.695 11.469 159 3HG2 THR 20 HG23 THR 20 1.795 -0.121 9.925 160 H LEU 21 HN LEU 21 -1.403 3.131 8.539 161 HA LEU 21 HA LEU 21 -3.172 1.139 8.781 162 1HB LEU 21 HB2 LEU 21 -3.449 3.698 8.510 163 2HB LEU 21 HB3 LEU 21 -3.656 3.348 6.806 164 HG LEU 21 HG LEU 21 -5.358 2.191 9.032 165 1HD1 LEU 21 HD11 LEU 21 -7.037 3.760 7.588 166 2HD1 LEU 21 HD12 LEU 21 -6.211 4.272 9.080 167 3HD1 LEU 21 HD13 LEU 21 -5.532 4.707 7.493 168 1HD2 LEU 21 HD21 LEU 21 -5.085 1.550 6.197 169 2HD2 LEU 21 HD22 LEU 21 -5.905 0.663 7.505 170 3HD2 LEU 21 HD23 LEU 21 -6.753 1.975 6.652 171 H LEU 22 HN LEU 22 -1.665 2.223 5.671 172 HA LEU 22 HA LEU 22 -2.990 0.176 4.197 173 1HB LEU 22 HB2 LEU 22 -1.371 0.927 2.405 174 2HB LEU 22 HB3 LEU 22 -2.531 2.100 2.994 175 HG LEU 22 HG LEU 22 -0.192 2.399 4.581 176 1HD1 LEU 22 HD11 LEU 22 0.882 1.136 2.646 177 2HD1 LEU 22 HD12 LEU 22 0.525 2.569 1.652 178 3HD1 LEU 22 HD13 LEU 22 1.587 2.714 3.073 179 1HD2 LEU 22 HD21 LEU 22 -0.908 4.254 2.332 180 2HD2 LEU 22 HD22 LEU 22 -2.019 4.043 3.707 181 3HD2 LEU 22 HD23 LEU 22 -0.358 4.622 3.984 182 H VAL 23 HN VAL 23 0.408 0.720 5.349 183 HA VAL 23 HA VAL 23 1.411 -1.685 4.382 184 HB VAL 23 HB VAL 23 3.319 -1.076 5.428 185 1HG1 VAL 23 HG11 VAL 23 1.811 1.068 4.548 186 2HG1 VAL 23 HG12 VAL 23 2.354 1.597 6.159 187 3HG1 VAL 23 HG13 VAL 23 3.548 1.102 4.934 188 1HG2 VAL 23 HG21 VAL 23 3.284 0.152 7.708 189 2HG2 VAL 23 HG22 VAL 23 1.583 -0.368 7.792 190 3HG2 VAL 23 HG23 VAL 23 2.880 -1.582 7.669 191 H GLN 24 HN GLN 24 -0.136 -0.826 7.530 192 HA GLN 24 HA GLN 24 0.310 -3.241 8.762 193 1HB GLN 24 HB2 GLN 24 -1.448 -2.576 10.313 194 2HB GLN 24 HB3 GLN 24 -0.518 -1.157 9.873 195 1HG GLN 24 HG2 GLN 24 -2.233 -0.294 8.481 196 2HG GLN 24 HG3 GLN 24 -2.991 -1.860 8.270 197 1HE2 GLN 24 HE21 GLN 24 -4.727 -2.279 9.400 198 2HE2 GLN 24 HE22 GLN 24 -5.243 -1.499 10.858 199 H THR 25 HN THR 25 -2.257 -2.186 6.484 200 HA THR 25 HA THR 25 -3.631 -4.731 6.747 201 HB THR 25 HB THR 25 -4.199 -1.997 5.840 202 HG1 THR 25 HG1 THR 25 -5.780 -4.441 6.227 203 1HG2 THR 25 HG21 THR 25 -4.270 -2.766 3.555 204 2HG2 THR 25 HG22 THR 25 -4.913 -4.354 4.035 205 3HG2 THR 25 HG23 THR 25 -5.945 -2.908 4.138 206 H ALA 26 HN ALA 26 -1.397 -3.048 4.536 207 HA ALA 26 HA ALA 26 -1.736 -4.952 2.447 208 1HB ALA 26 HB1 ALA 26 -1.009 -2.817 1.772 209 2HB ALA 26 HB2 ALA 26 0.197 -2.711 3.076 210 3HB ALA 26 HB3 ALA 26 0.474 -3.799 1.695 211 H SER 27 HN SER 27 0.474 -4.508 5.245 212 HA SER 27 HA SER 27 1.961 -6.829 4.415 213 1HB SER 27 HB2 SER 27 3.644 -5.978 5.685 214 2HB SER 27 HB3 SER 27 2.683 -4.513 5.723 215 HG SER 27 HG SER 27 1.691 -5.302 7.719 216 H LYS 28 HN LYS 28 -1.000 -6.677 5.483 217 HA LYS 28 HA LYS 28 -0.657 -8.493 7.756 218 1HB LYS 28 HB2 LYS 28 -2.151 -7.095 8.661 219 2HB LYS 28 HB3 LYS 28 -2.536 -6.355 7.121 220 1HG LYS 28 HG2 LYS 28 -3.544 -9.153 7.643 221 2HG LYS 28 HG3 LYS 28 -4.342 -7.824 8.461 222 1HD LYS 28 HD2 LYS 28 -3.964 -7.050 5.708 223 2HD LYS 28 HD3 LYS 28 -4.632 -8.670 5.714 224 1HE LYS 28 HE2 LYS 28 -5.889 -6.741 7.633 225 2HE LYS 28 HE3 LYS 28 -6.156 -6.405 5.934 226 1HZ LYS 28 HZ1 LYS 28 -7.331 -8.293 5.677 227 2HZ LYS 28 HZ2 LYS 28 -6.506 -9.141 6.803 228 3HZ LYS 28 HZ3 LYS 28 -7.645 -8.065 7.263 229 H PHE 29 HN PHE 29 -0.660 -8.714 4.523 230 HA PHE 29 HA PHE 29 -2.528 -10.974 4.474 231 1HB PHE 29 HB2 PHE 29 -1.156 -9.460 2.178 232 2HB PHE 29 HB3 PHE 29 -2.515 -10.556 2.025 233 HD1 PHE 29 HD1 PHE 29 -1.909 -7.385 1.481 234 HD2 PHE 29 HD2 PHE 29 -4.327 -9.647 4.135 235 HE1 PHE 29 HE1 PHE 29 -3.493 -5.449 1.688 236 HE2 PHE 29 HE2 PHE 29 -5.911 -7.711 4.341 237 HZ PHE 29 HZ PHE 29 -5.475 -5.635 3.115 238 H ASN 30 HN ASN 30 -1.811 -12.824 2.983 239 HA ASN 30 HA ASN 30 0.915 -13.423 3.697 240 1HB ASN 30 HB2 ASN 30 -1.535 -14.981 2.935 241 2HB ASN 30 HB3 ASN 30 -0.014 -15.681 2.419 242 1HD2 ASN 30 HD21 ASN 30 -0.177 -17.406 3.806 243 2HD2 ASN 30 HD22 ASN 30 0.051 -17.289 5.518 244 H SER 31 HN SER 31 -0.626 -11.847 1.215 245 HA SER 31 HA SER 31 0.809 -13.177 -0.914 246 1HB SER 31 HB2 SER 31 -1.545 -11.373 -0.715 247 2HB SER 31 HB3 SER 31 -0.503 -11.042 -2.084 248 HG SER 31 HG SER 31 -1.775 -13.557 -1.421 249 H ASP 32 HN ASP 32 1.615 -11.325 -2.661 250 HA ASP 32 HA ASP 32 3.527 -9.817 -1.112 251 1HB ASP 32 HB2 ASP 32 3.288 -10.651 -4.020 252 2HB ASP 32 HB3 ASP 32 4.396 -9.370 -3.573 253 H ILE 33 HN ILE 33 1.947 -8.128 -0.427 254 HA ILE 33 HA ILE 33 1.017 -6.443 -2.640 255 HB ILE 33 HB ILE 33 -0.699 -7.406 -1.155 256 1HG1 ILE 33 HG12 ILE 33 -0.693 -5.018 -2.300 257 2HG1 ILE 33 HG13 ILE 33 -2.016 -5.553 -1.282 258 1HG2 ILE 33 HG21 ILE 33 -0.732 -6.004 1.147 259 2HG2 ILE 33 HG22 ILE 33 -0.024 -7.629 0.988 260 3HG2 ILE 33 HG23 ILE 33 1.024 -6.191 0.928 261 1HD1 ILE 33 HD11 ILE 33 -1.273 -4.265 0.581 262 2HD1 ILE 33 HD12 ILE 33 0.356 -4.059 -0.106 263 3HD1 ILE 33 HD13 ILE 33 -1.027 -3.197 -0.822 264 H ASN 34 HN ASN 34 1.977 -4.504 -2.970 265 HA ASN 34 HA ASN 34 3.370 -3.350 -0.701 266 1HB ASN 34 HB2 ASN 34 4.511 -3.554 -3.538 267 2HB ASN 34 HB3 ASN 34 5.287 -2.741 -2.194 268 1HD2 ASN 34 HD21 ASN 34 6.798 -4.510 -3.296 269 2HD2 ASN 34 HD22 ASN 34 6.921 -5.995 -2.413 270 H LEU 35 HN LEU 35 4.205 -0.966 -1.627 271 HA LEU 35 HA LEU 35 1.924 0.128 -3.123 272 1HB LEU 35 HB2 LEU 35 1.557 1.634 -1.551 273 2HB LEU 35 HB3 LEU 35 2.536 0.625 -0.506 274 HG LEU 35 HG LEU 35 4.529 1.973 -1.058 275 1HD1 LEU 35 HD11 LEU 35 3.556 4.327 -2.139 276 2HD1 LEU 35 HD12 LEU 35 4.518 3.092 -2.986 277 3HD1 LEU 35 HD13 LEU 35 2.741 3.064 -3.092 278 1HD2 LEU 35 HD21 LEU 35 3.891 2.938 0.845 279 2HD2 LEU 35 HD22 LEU 35 3.217 4.243 -0.161 280 3HD2 LEU 35 HD23 LEU 35 2.172 2.909 0.382 281 H GLU 36 HN GLU 36 2.365 1.603 -4.779 282 HA GLU 36 HA GLU 36 5.213 1.992 -5.279 283 1HB GLU 36 HB2 GLU 36 4.384 0.323 -6.854 284 2HB GLU 36 HB3 GLU 36 3.009 1.325 -7.275 285 1HG GLU 36 HG2 GLU 36 4.391 2.949 -8.391 286 2HG GLU 36 HG3 GLU 36 5.858 2.317 -7.671 287 H TYR 37 HN TYR 37 5.734 4.129 -5.175 288 HA TYR 37 HA TYR 37 3.623 6.045 -5.906 289 1HB TYR 37 HB2 TYR 37 4.278 6.091 -3.506 290 2HB TYR 37 HB3 TYR 37 5.978 6.031 -3.926 291 HD1 TYR 37 HD1 TYR 37 6.553 8.006 -2.644 292 HD2 TYR 37 HD2 TYR 37 3.612 8.204 -5.745 293 HE1 TYR 37 HE1 TYR 37 6.654 10.546 -2.588 294 HE2 TYR 37 HE2 TYR 37 3.723 10.743 -5.678 295 HH TYR 37 HH TYR 37 4.341 12.470 -3.912 296 H LYS 38 HN LYS 38 4.005 6.976 -7.853 297 HA LYS 38 HA LYS 38 5.060 8.032 -9.482 298 1HB LYS 38 HB2 LYS 38 7.537 8.216 -7.756 299 2HB LYS 38 HB3 LYS 38 7.068 9.255 -9.086 300 1HG LYS 38 HG2 LYS 38 4.854 9.384 -7.363 301 2HG LYS 38 HG3 LYS 38 6.215 9.330 -6.260 302 1HD LYS 38 HD2 LYS 38 6.167 11.226 -8.643 303 2HD LYS 38 HD3 LYS 38 5.452 11.666 -7.105 304 1HE LYS 38 HE2 LYS 38 7.739 11.042 -6.039 305 2HE LYS 38 HE3 LYS 38 8.373 11.008 -7.672 306 1HZ LYS 38 HZ1 LYS 38 7.729 13.267 -7.955 307 2HZ LYS 38 HZ2 LYS 38 6.975 13.315 -6.507 308 3HZ LYS 38 HZ3 LYS 38 8.599 13.162 -6.577 309 H GLY 39 HN GLY 39 5.592 5.000 -8.434 310 1HA GLY 39 HA1 GLY 39 6.113 3.450 -10.263 311 2HA GLY 39 HA2 GLY 39 7.535 4.421 -10.592 312 H LYS 40 HN LYS 40 7.364 4.693 -7.328 313 HA LYS 40 HA LYS 40 9.297 2.572 -6.968 314 1HB LYS 40 HB2 LYS 40 9.305 5.107 -6.122 315 2HB LYS 40 HB3 LYS 40 8.473 4.400 -4.752 316 1HG LYS 40 HG2 LYS 40 10.972 3.050 -5.798 317 2HG LYS 40 HG3 LYS 40 11.138 4.497 -4.823 318 1HD LYS 40 HD2 LYS 40 9.571 2.015 -3.974 319 2HD LYS 40 HD3 LYS 40 11.212 2.369 -3.472 320 1HE LYS 40 HE2 LYS 40 8.664 3.861 -2.764 321 2HE LYS 40 HE3 LYS 40 9.857 3.174 -1.680 322 1HZ LYS 40 HZ1 LYS 40 10.081 5.593 -3.302 323 2HZ LYS 40 HZ2 LYS 40 10.306 5.418 -1.694 324 3HZ LYS 40 HZ3 LYS 40 11.419 4.843 -2.741 325 H SER 41 HN SER 41 8.282 0.590 -6.878 326 HA SER 41 HA SER 41 6.011 0.415 -5.076 327 1HB SER 41 HB2 SER 41 5.267 -1.413 -6.312 328 2HB SER 41 HB3 SER 41 6.075 -0.485 -7.560 329 HG SER 41 HG SER 41 6.940 -2.879 -6.239 330 H VAL 42 HN VAL 42 6.544 -0.144 -2.997 331 HA VAL 42 HA VAL 42 8.380 -2.368 -2.638 332 HB VAL 42 HB VAL 42 9.772 -1.242 -1.095 333 1HG1 VAL 42 HG11 VAL 42 10.653 -0.853 -3.215 334 2HG1 VAL 42 HG12 VAL 42 9.326 0.239 -3.680 335 3HG1 VAL 42 HG13 VAL 42 10.566 0.786 -2.526 336 1HG2 VAL 42 HG21 VAL 42 8.533 1.447 -1.422 337 2HG2 VAL 42 HG22 VAL 42 7.666 0.276 -0.398 338 3HG2 VAL 42 HG23 VAL 42 9.348 0.719 -0.017 339 H ASN 43 HN ASN 43 7.997 -3.533 -0.682 340 HA ASN 43 HA ASN 43 5.485 -3.848 0.074 341 1HB ASN 43 HB2 ASN 43 7.623 -3.945 2.232 342 2HB ASN 43 HB3 ASN 43 6.308 -5.070 1.954 343 1HD2 ASN 43 HD21 ASN 43 6.571 -6.782 0.665 344 2HD2 ASN 43 HD22 ASN 43 8.013 -7.176 -0.210 345 H LEU 44 HN LEU 44 4.475 -1.664 0.158 346 HA LEU 44 HA LEU 44 4.852 0.559 1.250 347 1HB LEU 44 HB2 LEU 44 2.587 -0.359 2.753 348 2HB LEU 44 HB3 LEU 44 2.658 0.719 1.373 349 HG LEU 44 HG LEU 44 2.682 -1.285 -0.130 350 1HD1 LEU 44 HD11 LEU 44 2.066 -3.464 0.743 351 2HD1 LEU 44 HD12 LEU 44 3.578 -2.902 1.497 352 3HD1 LEU 44 HD13 LEU 44 2.047 -2.822 2.403 353 1HD2 LEU 44 HD21 LEU 44 0.629 0.012 0.399 354 2HD2 LEU 44 HD22 LEU 44 0.315 -1.697 0.011 355 3HD2 LEU 44 HD23 LEU 44 0.275 -1.147 1.704 356 H LYS 45 HN LYS 45 4.703 -2.382 3.329 357 HA LYS 45 HA LYS 45 5.139 -0.963 5.730 358 1HB LYS 45 HB2 LYS 45 4.079 -3.167 5.654 359 2HB LYS 45 HB3 LYS 45 5.550 -3.885 5.029 360 1HG LYS 45 HG2 LYS 45 6.453 -4.040 7.108 361 2HG LYS 45 HG3 LYS 45 6.148 -2.346 7.436 362 1HD LYS 45 HD2 LYS 45 4.411 -2.878 8.790 363 2HD LYS 45 HD3 LYS 45 3.612 -3.732 7.484 364 1HE LYS 45 HE2 LYS 45 5.004 -5.767 7.985 365 2HE LYS 45 HE3 LYS 45 5.760 -4.911 9.313 366 1HZ LYS 45 HZ1 LYS 45 3.083 -5.959 9.116 367 2HZ LYS 45 HZ2 LYS 45 4.075 -5.872 10.410 368 3HZ LYS 45 HZ3 LYS 45 3.243 -4.552 9.929 369 H SER 46 HN SER 46 7.052 -1.011 3.084 370 HA SER 46 HA SER 46 9.514 -1.573 4.456 371 1HB SER 46 HB2 SER 46 9.104 -2.244 2.056 372 2HB SER 46 HB3 SER 46 9.050 -0.547 1.620 373 HG SER 46 HG SER 46 11.276 -0.437 2.659 374 H ILE 47 HN ILE 47 9.382 0.154 6.080 375 HA ILE 47 HA ILE 47 8.873 2.759 5.744 376 HB ILE 47 HB ILE 47 10.032 1.175 7.674 377 1HG1 ILE 47 HG12 ILE 47 9.679 3.067 9.143 378 2HG1 ILE 47 HG13 ILE 47 9.691 4.184 7.793 379 1HG2 ILE 47 HG21 ILE 47 12.278 1.547 6.983 380 2HG2 ILE 47 HG22 ILE 47 12.012 3.299 6.823 381 3HG2 ILE 47 HG23 ILE 47 12.003 2.541 8.434 382 1HD1 ILE 47 HD11 ILE 47 7.742 1.929 7.569 383 2HD1 ILE 47 HD12 ILE 47 7.407 3.130 8.839 384 3HD1 ILE 47 HD13 ILE 47 7.550 3.645 7.141 385 H MET 48 HN MET 48 12.130 1.246 5.174 386 HA MET 48 HA MET 48 13.511 3.374 4.401 387 1HB MET 48 HB2 MET 48 14.443 1.092 4.439 388 2HB MET 48 HB3 MET 48 13.392 0.586 3.131 389 1HG MET 48 HG2 MET 48 14.630 2.662 1.880 390 2HG MET 48 HG3 MET 48 15.893 2.252 3.024 391 1HE MET 48 HE1 MET 48 14.104 -0.503 -0.187 392 2HE MET 48 HE2 MET 48 13.254 -0.351 1.369 393 3HE MET 48 HE3 MET 48 13.494 1.083 0.342 394 H GLY 49 HN GLY 49 12.088 1.260 1.813 395 1HA GLY 49 HA1 GLY 49 12.246 3.120 -0.225 396 2HA GLY 49 HA2 GLY 49 11.146 1.758 -0.165 397 H VAL 50 HN VAL 50 9.553 2.454 2.106 398 HA VAL 50 HA VAL 50 7.714 4.180 0.902 399 HB VAL 50 HB VAL 50 7.919 2.483 3.184 400 1HG1 VAL 50 HG11 VAL 50 6.972 5.293 3.775 401 2HG1 VAL 50 HG12 VAL 50 6.388 3.886 4.695 402 3HG1 VAL 50 HG13 VAL 50 8.122 4.287 4.688 403 1HG2 VAL 50 HG21 VAL 50 5.698 3.782 1.613 404 2HG2 VAL 50 HG22 VAL 50 6.189 2.072 1.672 405 3HG2 VAL 50 HG23 VAL 50 5.344 2.803 3.057 406 H MET 51 HN MET 51 9.787 4.684 3.852 407 HA MET 51 HA MET 51 9.196 7.190 4.435 408 1HB MET 51 HB2 MET 51 11.858 5.714 4.323 409 2HB MET 51 HB3 MET 51 11.827 7.377 4.877 410 1HG MET 51 HG2 MET 51 10.197 5.083 6.073 411 2HG MET 51 HG3 MET 51 11.639 5.781 6.782 412 1HE MET 51 HE1 MET 51 11.553 8.704 6.265 413 2HE MET 51 HE2 MET 51 10.194 8.740 5.116 414 3HE MET 51 HE3 MET 51 10.076 9.614 6.662 415 H SER 52 HN SER 52 11.320 6.147 1.715 416 HA SER 52 HA SER 52 11.973 8.813 1.032 417 1HB SER 52 HB2 SER 52 12.876 7.686 -1.082 418 2HB SER 52 HB3 SER 52 13.569 7.142 0.433 419 HG SER 52 HG SER 52 11.339 5.643 -0.150 420 H LEU 53 HN LEU 53 9.362 6.551 0.338 421 HA LEU 53 HA LEU 53 8.493 8.088 -1.969 422 1HB LEU 53 HB2 LEU 53 7.330 6.280 -2.587 423 2HB LEU 53 HB3 LEU 53 8.489 5.466 -1.556 424 HG LEU 53 HG LEU 53 6.766 5.679 0.323 425 1HD1 LEU 53 HD11 LEU 53 4.374 5.667 -0.940 426 2HD1 LEU 53 HD12 LEU 53 5.098 7.107 -0.183 427 3HD1 LEU 53 HD13 LEU 53 5.256 6.849 -1.937 428 1HD2 LEU 53 HD21 LEU 53 5.598 3.670 -0.357 429 2HD2 LEU 53 HD22 LEU 53 6.039 3.952 -2.059 430 3HD2 LEU 53 HD23 LEU 53 7.303 3.580 -0.862 431 H GLY 54 HN GLY 54 7.185 7.025 1.252 432 1HA GLY 54 HA1 GLY 54 5.158 7.829 2.139 433 2HA GLY 54 HA2 GLY 54 6.358 9.043 2.536 434 H VAL 55 HN VAL 55 3.364 8.430 0.973 435 HA VAL 55 HA VAL 55 3.569 10.876 -0.618 436 HB VAL 55 HB VAL 55 1.101 9.703 -1.084 437 1HG1 VAL 55 HG11 VAL 55 1.822 9.660 -3.242 438 2HG1 VAL 55 HG12 VAL 55 3.157 10.621 -2.562 439 3HG1 VAL 55 HG13 VAL 55 3.364 8.874 -2.831 440 1HG2 VAL 55 HG21 VAL 55 3.170 7.485 -1.021 441 2HG2 VAL 55 HG22 VAL 55 1.926 7.718 0.230 442 3HG2 VAL 55 HG23 VAL 55 1.446 7.359 -1.446 443 H GLY 56 HN GLY 56 1.031 11.828 -0.683 444 1HA GLY 56 HA1 GLY 56 -0.541 11.875 1.543 445 2HA GLY 56 HA2 GLY 56 0.757 12.985 1.932 446 H GLN 57 HN GLN 57 1.028 14.954 0.727 447 HA GLN 57 HA GLN 57 -1.098 16.350 0.109 448 1HB GLN 57 HB2 GLN 57 1.731 16.459 -0.654 449 2HB GLN 57 HB3 GLN 57 0.717 17.192 -1.881 450 1HG GLN 57 HG2 GLN 57 -0.303 18.698 -0.247 451 2HG GLN 57 HG3 GLN 57 0.467 17.860 1.086 452 1HE2 GLN 57 HE21 GLN 57 2.531 18.283 1.638 453 2HE2 GLN 57 HE22 GLN 57 3.529 19.496 0.908 454 H GLY 58 HN GLY 58 -2.756 14.987 -0.833 455 1HA GLY 58 HA1 GLY 58 -3.852 13.904 -2.496 456 2HA GLY 58 HA2 GLY 58 -3.385 15.319 -3.417 457 H SER 59 HN SER 59 -0.696 13.444 -2.242 458 HA SER 59 HA SER 59 0.352 13.007 -4.702 459 1HB SER 59 HB2 SER 59 0.782 11.112 -2.363 460 2HB SER 59 HB3 SER 59 1.927 11.535 -3.620 461 HG SER 59 HG SER 59 2.441 12.706 -1.720 462 H ASP 60 HN ASP 60 0.922 10.607 -5.539 463 HA ASP 60 HA ASP 60 -1.498 9.007 -5.370 464 1HB ASP 60 HB2 ASP 60 -1.435 8.611 -7.799 465 2HB ASP 60 HB3 ASP 60 -1.586 10.326 -7.473 466 H VAL 61 HN VAL 61 -1.068 6.697 -5.620 467 HA VAL 61 HA VAL 61 1.664 5.906 -6.181 468 HB VAL 61 HB VAL 61 1.786 4.563 -4.116 469 1HG1 VAL 61 HG11 VAL 61 1.385 7.467 -3.374 470 2HG1 VAL 61 HG12 VAL 61 2.573 6.305 -2.736 471 3HG1 VAL 61 HG13 VAL 61 2.741 6.930 -4.394 472 1HG2 VAL 61 HG21 VAL 61 0.056 4.292 -2.734 473 2HG2 VAL 61 HG22 VAL 61 -0.120 6.051 -2.532 474 3HG2 VAL 61 HG23 VAL 61 -0.944 5.223 -3.875 475 H THR 62 HN THR 62 1.669 3.294 -5.894 476 HA THR 62 HA THR 62 -0.905 2.292 -6.889 477 HB THR 62 HB THR 62 1.770 2.403 -8.257 478 HG1 THR 62 HG1 THR 62 0.275 3.189 -9.690 479 1HG2 THR 62 HG21 THR 62 0.666 0.405 -9.683 480 2HG2 THR 62 HG22 THR 62 1.774 0.054 -8.335 481 3HG2 THR 62 HG23 THR 62 0.014 -0.054 -8.092 482 H ILE 63 HN ILE 63 -1.547 0.380 -6.048 483 HA ILE 63 HA ILE 63 0.352 -0.846 -4.186 484 HB ILE 63 HB ILE 63 -2.243 0.027 -3.842 485 1HG1 ILE 63 HG12 ILE 63 -1.874 -1.709 -1.757 486 2HG1 ILE 63 HG13 ILE 63 -0.228 -1.513 -2.327 487 1HG2 ILE 63 HG21 ILE 63 -2.498 -2.933 -3.562 488 2HG2 ILE 63 HG22 ILE 63 -3.745 -1.688 -3.812 489 3HG2 ILE 63 HG23 ILE 63 -2.728 -2.216 -5.174 490 1HD1 ILE 63 HD11 ILE 63 -1.957 0.947 -2.020 491 2HD1 ILE 63 HD12 ILE 63 -1.241 0.198 -0.573 492 3HD1 ILE 63 HD13 ILE 63 -0.190 0.788 -1.882 493 H THR 64 HN THR 64 0.499 -3.203 -4.102 494 HA THR 64 HA THR 64 -0.504 -4.567 -6.485 495 HB THR 64 HB THR 64 2.388 -4.939 -5.669 496 HG1 THR 64 HG1 THR 64 1.334 -2.950 -7.538 497 1HG2 THR 64 HG21 THR 64 1.978 -4.635 -8.484 498 2HG2 THR 64 HG22 THR 64 2.346 -6.141 -7.611 499 3HG2 THR 64 HG23 THR 64 0.654 -5.669 -7.897 500 H VAL 65 HN VAL 65 -0.733 -6.833 -6.262 501 HA VAL 65 HA VAL 65 -0.140 -7.901 -3.619 502 HB VAL 65 HB VAL 65 -2.461 -6.870 -3.685 503 1HG1 VAL 65 HG11 VAL 65 -3.808 -7.378 -5.388 504 2HG1 VAL 65 HG12 VAL 65 -2.649 -8.583 -5.999 505 3HG1 VAL 65 HG13 VAL 65 -3.871 -9.055 -4.794 506 1HG2 VAL 65 HG21 VAL 65 -2.139 -8.281 -1.885 507 2HG2 VAL 65 HG22 VAL 65 -3.485 -9.094 -2.718 508 3HG2 VAL 65 HG23 VAL 65 -1.823 -9.701 -2.911 509 H ASP 66 HN ASP 66 1.087 -9.657 -4.049 510 HA ASP 66 HA ASP 66 0.194 -11.309 -6.276 511 1HB ASP 66 HB2 ASP 66 3.041 -11.616 -5.739 512 2HB ASP 66 HB3 ASP 66 2.244 -11.224 -7.250 513 H GLY 67 HN GLY 67 -0.280 -13.387 -5.534 514 1HA GLY 67 HA1 GLY 67 1.050 -15.200 -4.236 515 2HA GLY 67 HA2 GLY 67 0.708 -14.151 -2.875 516 H ALA 68 HN ALA 68 -0.918 -15.051 -1.681 517 HA ALA 68 HA ALA 68 -3.092 -16.362 -3.129 518 1HB ALA 68 HB1 ALA 68 -2.530 -17.878 -1.525 519 2HB ALA 68 HB2 ALA 68 -1.769 -16.650 -0.486 520 3HB ALA 68 HB3 ALA 68 -3.538 -16.850 -0.479 521 H ASP 69 HN ASP 69 -2.800 -14.365 -0.102 522 HA ASP 69 HA ASP 69 -5.265 -13.540 0.173 523 1HB ASP 69 HB2 ASP 69 -2.615 -12.311 0.635 524 2HB ASP 69 HB3 ASP 69 -3.886 -11.115 0.477 525 H GLU 70 HN GLU 70 -3.019 -12.619 -2.430 526 HA GLU 70 HA GLU 70 -3.257 -10.707 -3.756 527 1HB GLU 70 HB2 GLU 70 -5.179 -12.792 -4.872 528 2HB GLU 70 HB3 GLU 70 -4.226 -11.644 -5.791 529 1HG GLU 70 HG2 GLU 70 -2.124 -12.715 -4.920 530 2HG GLU 70 HG3 GLU 70 -3.095 -13.882 -4.044 531 H ALA 71 HN ALA 71 -6.582 -12.068 -4.093 532 HA ALA 71 HA ALA 71 -7.799 -9.613 -4.402 533 1HB ALA 71 HB1 ALA 71 -8.702 -12.386 -3.637 534 2HB ALA 71 HB2 ALA 71 -9.865 -11.039 -3.594 535 3HB ALA 71 HB3 ALA 71 -9.038 -11.454 -5.115 536 H GLU 72 HN GLU 72 -8.160 -11.734 -1.470 537 HA GLU 72 HA GLU 72 -9.279 -9.924 0.145 538 1HB GLU 72 HB2 GLU 72 -9.156 -11.918 1.251 539 2HB GLU 72 HB3 GLU 72 -7.625 -12.349 0.515 540 1HG GLU 72 HG2 GLU 72 -7.278 -12.051 2.915 541 2HG GLU 72 HG3 GLU 72 -6.446 -10.763 2.067 542 H GLY 73 HN GLY 73 -5.715 -10.420 -0.332 543 1HA GLY 73 HA1 GLY 73 -4.713 -8.613 1.459 544 2HA GLY 73 HA2 GLY 73 -3.992 -8.991 -0.093 545 H MET 74 HN MET 74 -4.758 -7.756 -2.045 546 HA MET 74 HA MET 74 -4.606 -5.078 -1.635 547 1HB MET 74 HB2 MET 74 -5.681 -5.000 -4.020 548 2HB MET 74 HB3 MET 74 -4.210 -5.937 -3.844 549 1HG MET 74 HG2 MET 74 -5.280 -7.844 -4.466 550 2HG MET 74 HG3 MET 74 -6.485 -7.634 -3.211 551 1HE MET 74 HE1 MET 74 -8.583 -5.521 -3.729 552 2HE MET 74 HE2 MET 74 -9.537 -6.503 -4.867 553 3HE MET 74 HE3 MET 74 -8.680 -7.286 -3.517 554 H ALA 75 HN ALA 75 -7.479 -7.195 -1.616 555 HA ALA 75 HA ALA 75 -9.507 -5.435 -2.005 556 1HB ALA 75 HB1 ALA 75 -10.352 -7.519 -1.666 557 2HB ALA 75 HB2 ALA 75 -9.079 -7.955 -0.502 558 3HB ALA 75 HB3 ALA 75 -10.478 -6.992 0.030 559 H ALA 76 HN ALA 76 -8.079 -6.248 1.245 560 HA ALA 76 HA ALA 76 -9.420 -4.302 2.656 561 1HB ALA 76 HB1 ALA 76 -8.332 -5.456 4.246 562 2HB ALA 76 HB2 ALA 76 -7.237 -6.161 3.032 563 3HB ALA 76 HB3 ALA 76 -6.835 -4.604 3.795 564 H ILE 77 HN ILE 77 -6.091 -4.139 1.199 565 HA ILE 77 HA ILE 77 -5.462 -1.591 1.890 566 HB ILE 77 HB ILE 77 -4.659 -3.529 -0.108 567 1HG1 ILE 77 HG12 ILE 77 -3.275 -3.202 1.766 568 2HG1 ILE 77 HG13 ILE 77 -2.414 -2.474 0.424 569 1HG2 ILE 77 HG21 ILE 77 -5.405 -1.641 -1.605 570 2HG2 ILE 77 HG22 ILE 77 -4.139 -0.643 -0.850 571 3HG2 ILE 77 HG23 ILE 77 -3.695 -2.112 -1.752 572 1HD1 ILE 77 HD11 ILE 77 -2.226 -0.710 1.891 573 2HD1 ILE 77 HD12 ILE 77 -3.835 -0.302 1.250 574 3HD1 ILE 77 HD13 ILE 77 -3.687 -1.174 2.795 575 H VAL 78 HN VAL 78 -7.237 -2.613 -1.113 576 HA VAL 78 HA VAL 78 -7.682 -0.108 -2.129 577 HB VAL 78 HB VAL 78 -9.689 -2.355 -2.214 578 1HG1 VAL 78 HG11 VAL 78 -9.273 -1.267 -4.761 579 2HG1 VAL 78 HG12 VAL 78 -10.662 -0.983 -3.685 580 3HG1 VAL 78 HG13 VAL 78 -9.275 0.132 -3.661 581 1HG2 VAL 78 HG21 VAL 78 -8.126 -3.741 -2.999 582 2HG2 VAL 78 HG22 VAL 78 -7.926 -2.648 -4.390 583 3HG2 VAL 78 HG23 VAL 78 -6.893 -2.458 -2.953 584 H GLU 79 HN GLU 79 -10.002 -2.021 -0.076 585 HA GLU 79 HA GLU 79 -11.805 -0.009 0.250 586 1HB GLU 79 HB2 GLU 79 -11.182 -2.574 1.529 587 2HB GLU 79 HB3 GLU 79 -11.836 -1.432 2.686 588 1HG GLU 79 HG2 GLU 79 -13.347 -1.258 0.203 589 2HG GLU 79 HG3 GLU 79 -13.264 -2.932 0.714 590 H THR 80 HN THR 80 -8.737 -0.638 1.985 591 HA THR 80 HA THR 80 -9.211 1.275 4.037 592 HB THR 80 HB THR 80 -7.199 -0.687 3.215 593 HG1 THR 80 HG1 THR 80 -7.963 0.918 5.544 594 1HG2 THR 80 HG21 THR 80 -5.206 0.420 4.005 595 2HG2 THR 80 HG22 THR 80 -5.906 1.531 2.804 596 3HG2 THR 80 HG23 THR 80 -6.127 1.846 4.542 597 H LEU 81 HN LEU 81 -7.153 1.336 1.049 598 HA LEU 81 HA LEU 81 -6.115 3.791 1.216 599 1HB LEU 81 HB2 LEU 81 -7.221 2.248 -1.103 600 2HB LEU 81 HB3 LEU 81 -6.573 3.857 -1.351 601 HG LEU 81 HG LEU 81 -5.154 1.488 -1.404 602 1HD1 LEU 81 HD11 LEU 81 -4.664 3.777 -2.397 603 2HD1 LEU 81 HD12 LEU 81 -3.887 4.171 -0.845 604 3HD1 LEU 81 HD13 LEU 81 -3.266 2.829 -1.836 605 1HD2 LEU 81 HD21 LEU 81 -5.283 1.314 1.050 606 2HD2 LEU 81 HD22 LEU 81 -3.612 1.511 0.469 607 3HD2 LEU 81 HD23 LEU 81 -4.471 2.892 1.194 608 H GLN 82 HN GLN 82 -9.520 2.997 0.346 609 HA GLN 82 HA GLN 82 -10.064 5.835 0.224 610 1HB GLN 82 HB2 GLN 82 -12.420 4.908 -0.433 611 2HB GLN 82 HB3 GLN 82 -11.108 4.769 -1.587 612 1HG GLN 82 HG2 GLN 82 -10.934 2.466 -1.339 613 2HG GLN 82 HG3 GLN 82 -11.398 2.499 0.350 614 1HE2 GLN 82 HE21 GLN 82 -12.305 1.171 -2.313 615 2HE2 GLN 82 HE22 GLN 82 -14.034 1.253 -2.257 616 H LYS 83 HN LYS 83 -10.176 3.156 2.409 617 HA LYS 83 HA LYS 83 -12.430 4.027 3.917 618 1HB LYS 83 HB2 LYS 83 -12.239 1.959 4.701 619 2HB LYS 83 HB3 LYS 83 -10.765 1.740 3.780 620 1HG LYS 83 HG2 LYS 83 -9.397 2.586 5.618 621 2HG LYS 83 HG3 LYS 83 -10.815 3.099 6.511 622 1HD LYS 83 HD2 LYS 83 -9.612 0.778 7.063 623 2HD LYS 83 HD3 LYS 83 -11.352 0.941 7.190 624 1HE LYS 83 HE2 LYS 83 -11.490 0.139 4.745 625 2HE LYS 83 HE3 LYS 83 -9.785 -0.248 4.859 626 1HZ LYS 83 HZ1 LYS 83 -10.659 -1.436 7.021 627 2HZ LYS 83 HZ2 LYS 83 -12.029 -1.527 6.137 628 3HZ LYS 83 HZ3 LYS 83 -10.644 -2.178 5.566 629 H GLU 84 HN GLU 84 -8.938 4.692 3.850 630 HA GLU 84 HA GLU 84 -9.220 6.189 6.315 631 1HB GLU 84 HB2 GLU 84 -6.556 6.322 5.188 632 2HB GLU 84 HB3 GLU 84 -7.076 5.592 6.694 633 1HG GLU 84 HG2 GLU 84 -6.428 3.632 5.699 634 2HG GLU 84 HG3 GLU 84 -7.999 3.712 4.926 635 H GLY 85 HN GLY 85 -10.058 6.772 3.263 636 1HA GLY 85 HA1 GLY 85 -10.310 8.615 2.005 637 2HA GLY 85 HA2 GLY 85 -9.964 9.557 3.441 638 H LEU 86 HN LEU 86 -7.392 7.379 2.882 639 HA LEU 86 HA LEU 86 -5.647 9.504 2.181 640 1HB LEU 86 HB2 LEU 86 -5.364 7.188 3.509 641 2HB LEU 86 HB3 LEU 86 -4.788 6.674 1.936 642 HG LEU 86 HG LEU 86 -3.285 8.827 2.086 643 1HD1 LEU 86 HD11 LEU 86 -4.244 8.458 4.901 644 2HD1 LEU 86 HD12 LEU 86 -2.575 9.000 4.604 645 3HD1 LEU 86 HD13 LEU 86 -3.944 9.951 3.980 646 1HD2 LEU 86 HD21 LEU 86 -1.961 7.019 1.956 647 2HD2 LEU 86 HD22 LEU 86 -1.759 7.263 3.708 648 3HD2 LEU 86 HD23 LEU 86 -2.945 6.081 3.105 649 H ALA 87 HN ALA 87 -6.613 6.447 0.461 650 HA ALA 87 HA ALA 87 -6.019 7.878 -2.039 651 1HB ALA 87 HB1 ALA 87 -5.957 5.191 -2.656 652 2HB ALA 87 HB2 ALA 87 -4.529 6.187 -2.287 653 3HB ALA 87 HB3 ALA 87 -5.286 5.208 -1.007 654 H GLU 88 HN GLU 88 -7.366 7.025 -3.938 655 HA GLU 88 HA GLU 88 -10.040 7.331 -3.276 656 1HB GLU 88 HB2 GLU 88 -8.837 6.176 -5.830 657 2HB GLU 88 HB3 GLU 88 -10.462 6.812 -5.665 658 1HG GLU 88 HG2 GLU 88 -9.464 9.045 -4.991 659 2HG GLU 88 HG3 GLU 88 -7.870 8.389 -5.305 660 H GLN 89 HN GLN 89 -11.466 5.408 -4.797 661 HA GLN 89 HA GLN 89 -11.995 3.505 -2.990 662 1HB GLN 89 HB2 GLN 89 -12.947 2.176 -4.939 663 2HB GLN 89 HB3 GLN 89 -13.478 3.844 -4.848 664 1HG GLN 89 HG2 GLN 89 -11.714 4.481 -6.523 665 2HG GLN 89 HG3 GLN 89 -11.225 2.802 -6.632 666 1HE2 GLN 89 HE21 GLN 89 -13.642 5.172 -7.389 667 2HE2 GLN 89 HE22 GLN 89 -14.587 4.234 -8.497 Start of MODEL 16 1 H MET 1 HN MET 1 -0.711 -11.823 -7.057 2 HA MET 1 HA MET 1 0.398 -11.187 -8.815 3 1HB MET 1 HB2 MET 1 -1.292 -13.422 -9.911 4 2HB MET 1 HB3 MET 1 -0.589 -12.360 -11.114 5 1HG MET 1 HG2 MET 1 1.667 -12.705 -9.835 6 2HG MET 1 HG3 MET 1 0.864 -14.038 -9.029 7 1HE MET 1 HE1 MET 1 2.796 -15.542 -9.987 8 2HE MET 1 HE2 MET 1 3.121 -15.787 -11.720 9 3HE MET 1 HE3 MET 1 3.500 -14.225 -10.955 10 H GLU 2 HN GLU 2 -1.800 -9.582 -7.937 11 HA GLU 2 HA GLU 2 -2.422 -8.308 -10.471 12 1HB GLU 2 HB2 GLU 2 -4.455 -8.595 -8.219 13 2HB GLU 2 HB3 GLU 2 -4.729 -7.884 -9.797 14 1HG GLU 2 HG2 GLU 2 -3.897 -10.278 -10.667 15 2HG GLU 2 HG3 GLU 2 -4.377 -10.794 -9.062 16 H LYS 3 HN LYS 3 -2.028 -6.112 -10.453 17 HA LYS 3 HA LYS 3 -1.351 -4.977 -7.837 18 1HB LYS 3 HB2 LYS 3 0.498 -4.234 -8.816 19 2HB LYS 3 HB3 LYS 3 0.033 -5.031 -10.306 20 1HG LYS 3 HG2 LYS 3 -1.317 -3.022 -10.956 21 2HG LYS 3 HG3 LYS 3 -0.845 -2.226 -9.468 22 1HD LYS 3 HD2 LYS 3 1.098 -3.180 -11.625 23 2HD LYS 3 HD3 LYS 3 0.557 -1.525 -11.430 24 1HE LYS 3 HE2 LYS 3 1.454 -1.699 -8.988 25 2HE LYS 3 HE3 LYS 3 2.260 -3.165 -9.511 26 1HZ LYS 3 HZ1 LYS 3 3.727 -1.996 -10.675 27 2HZ LYS 3 HZ2 LYS 3 2.628 -0.948 -11.274 28 3HZ LYS 3 HZ3 LYS 3 3.254 -0.712 -9.784 29 H LYS 4 HN LYS 4 -2.437 -3.205 -7.045 30 HA LYS 4 HA LYS 4 -4.508 -2.109 -8.819 31 1HB LYS 4 HB2 LYS 4 -5.353 -3.655 -7.005 32 2HB LYS 4 HB3 LYS 4 -4.766 -2.500 -5.826 33 1HG LYS 4 HG2 LYS 4 -7.069 -1.936 -6.168 34 2HG LYS 4 HG3 LYS 4 -6.161 -0.712 -7.034 35 1HD LYS 4 HD2 LYS 4 -6.433 -2.132 -9.147 36 2HD LYS 4 HD3 LYS 4 -7.515 -3.169 -8.238 37 1HE LYS 4 HE2 LYS 4 -9.047 -1.282 -7.811 38 2HE LYS 4 HE3 LYS 4 -7.932 -0.160 -8.566 39 1HZ LYS 4 HZ1 LYS 4 -9.191 -2.430 -9.944 40 2HZ LYS 4 HZ2 LYS 4 -9.687 -0.878 -10.053 41 3HZ LYS 4 HZ3 LYS 4 -8.222 -1.309 -10.631 42 H GLU 5 HN GLU 5 -3.940 -0.085 -9.397 43 HA GLU 5 HA GLU 5 -2.139 1.362 -7.718 44 1HB GLU 5 HB2 GLU 5 -3.523 2.270 -10.278 45 2HB GLU 5 HB3 GLU 5 -2.121 3.012 -9.535 46 1HG GLU 5 HG2 GLU 5 -0.908 1.673 -10.933 47 2HG GLU 5 HG3 GLU 5 -1.251 0.404 -9.774 48 H PHE 6 HN PHE 6 -2.593 3.640 -7.005 49 HA PHE 6 HA PHE 6 -5.348 4.427 -6.889 50 1HB PHE 6 HB2 PHE 6 -3.705 3.716 -4.384 51 2HB PHE 6 HB3 PHE 6 -5.312 4.415 -4.353 52 HD1 PHE 6 HD1 PHE 6 -3.378 1.375 -4.801 53 HD2 PHE 6 HD2 PHE 6 -7.264 3.065 -5.036 54 HE1 PHE 6 HE1 PHE 6 -4.379 -0.927 -4.808 55 HE2 PHE 6 HE2 PHE 6 -8.264 0.763 -5.043 56 HZ PHE 6 HZ PHE 6 -6.810 -1.206 -4.929 57 H HIS 7 HN HIS 7 -5.366 6.413 -5.082 58 HA HIS 7 HA HIS 7 -2.879 7.877 -5.299 59 1HB HIS 7 HB2 HIS 7 -3.598 8.913 -7.160 60 2HB HIS 7 HB3 HIS 7 -5.266 8.436 -6.917 61 HD1 HIS 7 HD1 HIS 7 -3.530 11.399 -7.325 62 HD2 HIS 7 HD2 HIS 7 -6.170 10.097 -4.337 63 HE1 HIS 7 HE1 HIS 7 -4.435 13.505 -6.204 64 H ILE 8 HN ILE 8 -2.519 9.153 -3.503 65 HA ILE 8 HA ILE 8 -4.158 8.755 -1.273 66 HB ILE 8 HB ILE 8 -1.988 10.790 -1.792 67 1HG1 ILE 8 HG12 ILE 8 -0.803 8.864 -1.985 68 2HG1 ILE 8 HG13 ILE 8 -0.799 8.988 -0.237 69 1HG2 ILE 8 HG21 ILE 8 -3.333 9.922 0.776 70 2HG2 ILE 8 HG22 ILE 8 -1.790 10.807 0.707 71 3HG2 ILE 8 HG23 ILE 8 -3.274 11.554 0.068 72 1HD1 ILE 8 HD11 ILE 8 -2.880 7.538 -0.184 73 2HD1 ILE 8 HD12 ILE 8 -2.697 7.314 -1.940 74 3HD1 ILE 8 HD13 ILE 8 -1.439 6.718 -0.831 75 H VAL 9 HN VAL 9 -5.922 9.814 -0.490 76 HA VAL 9 HA VAL 9 -6.572 12.377 -1.768 77 HB VAL 9 HB VAL 9 -8.965 11.653 -1.614 78 1HG1 VAL 9 HG11 VAL 9 -7.226 11.401 -3.644 79 2HG1 VAL 9 HG12 VAL 9 -7.660 9.687 -3.437 80 3HG1 VAL 9 HG13 VAL 9 -8.927 10.893 -3.764 81 1HG2 VAL 9 HG21 VAL 9 -9.052 9.874 -0.112 82 2HG2 VAL 9 HG22 VAL 9 -9.203 9.060 -1.688 83 3HG2 VAL 9 HG23 VAL 9 -7.642 9.061 -0.833 84 H ALA 10 HN ALA 10 -5.214 11.428 0.835 85 HA ALA 10 HA ALA 10 -7.179 12.477 2.737 86 1HB ALA 10 HB1 ALA 10 -4.714 10.739 2.938 87 2HB ALA 10 HB2 ALA 10 -5.327 11.607 4.365 88 3HB ALA 10 HB3 ALA 10 -6.363 10.425 3.530 89 H GLU 11 HN GLU 11 -4.387 13.295 0.854 90 HA GLU 11 HA GLU 11 -2.932 14.927 0.924 91 1HB GLU 11 HB2 GLU 11 -3.886 17.159 1.088 92 2HB GLU 11 HB3 GLU 11 -5.064 16.104 0.331 93 1HG GLU 11 HG2 GLU 11 -6.342 15.904 2.386 94 2HG GLU 11 HG3 GLU 11 -5.071 16.656 3.329 95 H THR 12 HN THR 12 -3.406 13.315 3.533 96 HA THR 12 HA THR 12 -2.719 15.212 5.595 97 HB THR 12 HB THR 12 -4.072 12.830 5.547 98 HG1 THR 12 HG1 THR 12 -4.152 13.890 7.500 99 1HG2 THR 12 HG21 THR 12 -2.155 11.361 5.190 100 2HG2 THR 12 HG22 THR 12 -1.183 12.259 6.380 101 3HG2 THR 12 HG23 THR 12 -2.562 11.273 6.920 102 H GLY 13 HN GLY 13 -1.055 12.318 4.162 103 1HA GLY 13 HA1 GLY 13 1.254 13.006 3.350 104 2HA GLY 13 HA2 GLY 13 1.493 13.554 4.998 105 H ILE 14 HN ILE 14 -0.044 10.614 3.492 106 HA ILE 14 HA ILE 14 -0.017 8.620 4.846 107 HB ILE 14 HB ILE 14 1.876 8.962 2.572 108 1HG1 ILE 14 HG12 ILE 14 0.329 7.628 1.396 109 2HG1 ILE 14 HG13 ILE 14 -0.398 7.001 2.862 110 1HG2 ILE 14 HG21 ILE 14 3.205 7.298 3.214 111 2HG2 ILE 14 HG22 ILE 14 2.164 6.902 4.602 112 3HG2 ILE 14 HG23 ILE 14 1.811 6.212 3.000 113 1HD1 ILE 14 HD11 ILE 14 -1.861 8.706 1.840 114 2HD1 ILE 14 HD12 ILE 14 -1.260 9.281 3.414 115 3HD1 ILE 14 HD13 ILE 14 -0.541 9.899 1.908 116 H HIS 15 HN HIS 15 0.570 9.470 7.015 117 HA HIS 15 HA HIS 15 3.418 9.246 7.576 118 1HB HIS 15 HB2 HIS 15 2.507 10.100 9.890 119 2HB HIS 15 HB3 HIS 15 2.758 11.199 8.548 120 HD2 HIS 15 HD2 HIS 15 0.423 12.341 7.460 121 HE1 HIS 15 HE1 HIS 15 -2.272 10.601 10.256 122 HE2 HIS 15 HE2 HIS 15 -1.950 12.362 8.388 123 H ALA 16 HN ALA 16 3.724 8.297 10.012 124 HA ALA 16 HA ALA 16 3.537 5.630 9.893 125 1HB ALA 16 HB1 ALA 16 3.939 7.657 11.941 126 2HB ALA 16 HB2 ALA 16 3.094 6.240 12.611 127 3HB ALA 16 HB3 ALA 16 4.664 6.037 11.796 128 H ARG 17 HN ARG 17 0.946 7.919 10.829 129 HA ARG 17 HA ARG 17 -0.775 6.012 11.856 130 1HB ARG 17 HB2 ARG 17 -0.937 8.833 10.917 131 2HB ARG 17 HB3 ARG 17 -2.453 7.963 10.787 132 1HG ARG 17 HG2 ARG 17 -2.314 9.037 12.992 133 2HG ARG 17 HG3 ARG 17 -2.283 7.296 13.190 134 1HD ARG 17 HD2 ARG 17 -0.404 7.626 14.442 135 2HD ARG 17 HD3 ARG 17 0.425 7.885 12.920 136 HE ARG 17 HE ARG 17 -0.557 10.379 13.381 137 1HH1 ARG 17 HH22 ARG 17 1.103 8.134 15.523 138 2HH1 ARG 17 HH21 ARG 17 1.808 9.383 16.494 139 1HH2 ARG 17 HH12 ARG 17 0.373 12.027 14.662 140 2HH2 ARG 17 HH11 ARG 17 1.390 11.612 16.001 141 HA PRO 18 HA PRO 18 -2.789 5.773 7.599 142 1HB PRO 18 HB2 PRO 18 -2.190 7.559 5.620 143 2HB PRO 18 HB3 PRO 18 -3.519 7.780 6.739 144 1HG PRO 18 HG2 PRO 18 -0.897 9.144 6.684 145 2HG PRO 18 HG3 PRO 18 -2.370 9.630 7.500 146 1HD PRO 18 HD2 PRO 18 -0.054 8.441 8.704 147 2HD PRO 18 HD3 PRO 18 -1.570 8.820 9.497 148 H ALA 19 HN ALA 19 0.562 6.652 7.467 149 HA ALA 19 HA ALA 19 1.240 5.326 5.134 150 1HB ALA 19 HB1 ALA 19 3.503 5.388 6.025 151 2HB ALA 19 HB2 ALA 19 2.667 6.894 6.473 152 3HB ALA 19 HB3 ALA 19 2.885 5.605 7.680 153 H THR 20 HN THR 20 1.253 4.121 8.564 154 HA THR 20 HA THR 20 1.869 1.458 7.745 155 HB THR 20 HB THR 20 0.639 2.026 10.420 156 HG1 THR 20 HG1 THR 20 3.239 3.050 9.542 157 1HG2 THR 20 HG21 THR 20 2.888 1.041 11.135 158 2HG2 THR 20 HG22 THR 20 1.898 -0.056 10.142 159 3HG2 THR 20 HG23 THR 20 3.265 0.819 9.410 160 H LEU 21 HN LEU 21 -1.117 3.303 8.392 161 HA LEU 21 HA LEU 21 -2.939 1.376 8.781 162 1HB LEU 21 HB2 LEU 21 -3.139 3.936 8.435 163 2HB LEU 21 HB3 LEU 21 -3.438 3.535 6.755 164 HG LEU 21 HG LEU 21 -5.088 2.715 9.156 165 1HD1 LEU 21 HD11 LEU 21 -5.744 4.443 6.753 166 2HD1 LEU 21 HD12 LEU 21 -6.859 4.011 8.071 167 3HD1 LEU 21 HD13 LEU 21 -5.429 5.016 8.408 168 1HD2 LEU 21 HD21 LEU 21 -5.165 1.725 6.313 169 2HD2 LEU 21 HD22 LEU 21 -5.208 0.801 7.834 170 3HD2 LEU 21 HD23 LEU 21 -6.628 1.748 7.327 171 H LEU 22 HN LEU 22 -1.603 2.354 5.553 172 HA LEU 22 HA LEU 22 -3.024 0.283 4.219 173 1HB LEU 22 HB2 LEU 22 -1.431 0.948 2.339 174 2HB LEU 22 HB3 LEU 22 -2.608 2.118 2.900 175 HG LEU 22 HG LEU 22 -0.123 2.414 4.362 176 1HD1 LEU 22 HD11 LEU 22 1.115 3.356 2.301 177 2HD1 LEU 22 HD12 LEU 22 1.142 1.599 2.586 178 3HD1 LEU 22 HD13 LEU 22 0.050 2.285 1.359 179 1HD2 LEU 22 HD21 LEU 22 -2.075 4.037 3.999 180 2HD2 LEU 22 HD22 LEU 22 -0.421 4.690 3.914 181 3HD2 LEU 22 HD23 LEU 22 -1.332 4.375 2.418 182 H VAL 23 HN VAL 23 0.445 0.789 5.158 183 HA VAL 23 HA VAL 23 1.375 -1.636 4.208 184 HB VAL 23 HB VAL 23 3.317 -1.035 5.177 185 1HG1 VAL 23 HG11 VAL 23 1.989 1.072 4.240 186 2HG1 VAL 23 HG12 VAL 23 2.134 1.609 5.931 187 3HG1 VAL 23 HG13 VAL 23 3.596 1.234 4.988 188 1HG2 VAL 23 HG21 VAL 23 3.392 0.122 7.486 189 2HG2 VAL 23 HG22 VAL 23 1.685 -0.363 7.628 190 3HG2 VAL 23 HG23 VAL 23 2.947 -1.601 7.423 191 H GLN 24 HN GLN 24 -0.043 -0.752 7.414 192 HA GLN 24 HA GLN 24 0.386 -3.184 8.616 193 1HB GLN 24 HB2 GLN 24 -1.290 -2.483 10.237 194 2HB GLN 24 HB3 GLN 24 -0.350 -1.082 9.763 195 1HG GLN 24 HG2 GLN 24 -2.103 -0.162 8.477 196 2HG GLN 24 HG3 GLN 24 -2.880 -1.713 8.232 197 1HE2 GLN 24 HE21 GLN 24 -4.859 -1.242 8.979 198 2HE2 GLN 24 HE22 GLN 24 -5.241 -0.825 10.617 199 H THR 25 HN THR 25 -2.225 -2.059 6.427 200 HA THR 25 HA THR 25 -3.691 -4.536 6.753 201 HB THR 25 HB THR 25 -4.113 -1.808 5.698 202 HG1 THR 25 HG1 THR 25 -5.196 -3.045 7.487 203 1HG2 THR 25 HG21 THR 25 -4.408 -2.682 3.497 204 2HG2 THR 25 HG22 THR 25 -4.995 -4.248 4.107 205 3HG2 THR 25 HG23 THR 25 -6.038 -2.809 4.201 206 H ALA 26 HN ALA 26 -1.202 -3.181 4.673 207 HA ALA 26 HA ALA 26 -1.704 -5.153 2.615 208 1HB ALA 26 HB1 ALA 26 0.145 -2.803 3.012 209 2HB ALA 26 HB2 ALA 26 0.516 -4.020 1.767 210 3HB ALA 26 HB3 ALA 26 -1.018 -3.119 1.701 211 H SER 27 HN SER 27 0.445 -4.539 5.399 212 HA SER 27 HA SER 27 2.022 -6.845 4.675 213 1HB SER 27 HB2 SER 27 3.178 -4.806 5.478 214 2HB SER 27 HB3 SER 27 2.279 -4.865 6.981 215 HG SER 27 HG SER 27 3.866 -7.116 6.145 216 H LYS 28 HN LYS 28 -0.710 -7.418 5.234 217 HA LYS 28 HA LYS 28 -0.358 -9.073 7.596 218 1HB LYS 28 HB2 LYS 28 -2.652 -8.411 8.403 219 2HB LYS 28 HB3 LYS 28 -1.395 -7.210 8.620 220 1HG LYS 28 HG2 LYS 28 -3.213 -5.966 7.733 221 2HG LYS 28 HG3 LYS 28 -2.166 -6.214 6.350 222 1HD LYS 28 HD2 LYS 28 -4.391 -6.735 5.598 223 2HD LYS 28 HD3 LYS 28 -3.565 -8.272 5.763 224 1HE LYS 28 HE2 LYS 28 -5.045 -7.250 8.177 225 2HE LYS 28 HE3 LYS 28 -6.013 -7.819 6.832 226 1HZ LYS 28 HZ1 LYS 28 -5.646 -9.793 7.747 227 2HZ LYS 28 HZ2 LYS 28 -4.171 -9.733 7.047 228 3HZ LYS 28 HZ3 LYS 28 -4.350 -9.305 8.613 229 H PHE 29 HN PHE 29 -0.420 -9.311 4.565 230 HA PHE 29 HA PHE 29 -2.749 -11.095 4.413 231 1HB PHE 29 HB2 PHE 29 -1.135 -9.587 2.267 232 2HB PHE 29 HB3 PHE 29 -2.488 -10.643 1.911 233 HD1 PHE 29 HD1 PHE 29 -4.222 -9.732 4.286 234 HD2 PHE 29 HD2 PHE 29 -2.044 -7.599 1.335 235 HE1 PHE 29 HE1 PHE 29 -5.798 -7.793 4.525 236 HE2 PHE 29 HE2 PHE 29 -3.620 -5.660 1.573 237 HZ PHE 29 HZ PHE 29 -5.478 -5.780 3.165 238 H ASN 30 HN ASN 30 -2.355 -13.247 4.112 239 HA ASN 30 HA ASN 30 0.098 -14.312 4.423 240 1HB ASN 30 HB2 ASN 30 -2.505 -15.272 3.267 241 2HB ASN 30 HB3 ASN 30 -1.106 -16.260 2.899 242 1HD2 ASN 30 HD21 ASN 30 0.411 -16.538 4.878 243 2HD2 ASN 30 HD22 ASN 30 -0.350 -17.037 6.351 244 H SER 31 HN SER 31 -1.201 -12.656 1.668 245 HA SER 31 HA SER 31 0.716 -13.935 -0.104 246 1HB SER 31 HB2 SER 31 -0.576 -12.698 -1.915 247 2HB SER 31 HB3 SER 31 -1.484 -13.930 -1.061 248 HG SER 31 HG SER 31 -2.330 -11.528 -1.412 249 H ASP 32 HN ASP 32 1.329 -12.018 -1.941 250 HA ASP 32 HA ASP 32 2.872 -10.213 -0.348 251 1HB ASP 32 HB2 ASP 32 3.236 -11.518 -2.793 252 2HB ASP 32 HB3 ASP 32 2.913 -9.870 -3.293 253 H ILE 33 HN ILE 33 2.881 -7.815 -0.845 254 HA ILE 33 HA ILE 33 1.058 -6.589 -2.523 255 HB ILE 33 HB ILE 33 -0.624 -7.654 -1.070 256 1HG1 ILE 33 HG12 ILE 33 -0.769 -5.295 -2.230 257 2HG1 ILE 33 HG13 ILE 33 -2.053 -5.874 -1.188 258 1HG2 ILE 33 HG21 ILE 33 1.036 -6.464 1.034 259 2HG2 ILE 33 HG22 ILE 33 -0.705 -6.145 1.226 260 3HG2 ILE 33 HG23 ILE 33 -0.116 -7.820 1.100 261 1HD1 ILE 33 HD11 ILE 33 -1.055 -3.446 -0.835 262 2HD1 ILE 33 HD12 ILE 33 -1.464 -4.447 0.580 263 3HD1 ILE 33 HD13 ILE 33 0.228 -4.315 0.041 264 H ASN 34 HN ASN 34 2.141 -4.743 -2.918 265 HA ASN 34 HA ASN 34 3.327 -3.440 -0.599 266 1HB ASN 34 HB2 ASN 34 4.549 -3.593 -3.405 267 2HB ASN 34 HB3 ASN 34 5.260 -2.774 -2.028 268 1HD2 ASN 34 HD21 ASN 34 6.717 -4.613 -3.311 269 2HD2 ASN 34 HD22 ASN 34 6.916 -6.058 -2.377 270 H LEU 35 HN LEU 35 4.104 -1.038 -1.585 271 HA LEU 35 HA LEU 35 1.796 -0.064 -3.121 272 1HB LEU 35 HB2 LEU 35 1.375 1.516 -1.623 273 2HB LEU 35 HB3 LEU 35 2.270 0.492 -0.518 274 HG LEU 35 HG LEU 35 4.330 1.808 -1.015 275 1HD1 LEU 35 HD11 LEU 35 4.336 2.981 -2.915 276 2HD1 LEU 35 HD12 LEU 35 2.559 3.013 -3.010 277 3HD1 LEU 35 HD13 LEU 35 3.419 4.210 -2.011 278 1HD2 LEU 35 HD21 LEU 35 2.963 4.048 -0.060 279 2HD2 LEU 35 HD22 LEU 35 1.988 2.655 0.467 280 3HD2 LEU 35 HD23 LEU 35 3.712 2.749 0.899 281 H GLU 36 HN GLU 36 2.206 1.614 -4.663 282 HA GLU 36 HA GLU 36 5.045 1.993 -5.195 283 1HB GLU 36 HB2 GLU 36 4.239 0.348 -6.804 284 2HB GLU 36 HB3 GLU 36 2.847 1.335 -7.200 285 1HG GLU 36 HG2 GLU 36 5.592 2.546 -7.541 286 2HG GLU 36 HG3 GLU 36 5.059 1.364 -8.720 287 H TYR 37 HN TYR 37 5.529 4.135 -5.019 288 HA TYR 37 HA TYR 37 3.416 6.037 -5.782 289 1HB TYR 37 HB2 TYR 37 3.899 6.049 -3.353 290 2HB TYR 37 HB3 TYR 37 5.625 5.972 -3.645 291 HD1 TYR 37 HD1 TYR 37 3.444 8.221 -5.594 292 HD2 TYR 37 HD2 TYR 37 6.116 7.909 -2.268 293 HE1 TYR 37 HE1 TYR 37 3.583 10.756 -5.459 294 HE2 TYR 37 HE2 TYR 37 6.247 10.445 -2.144 295 HH TYR 37 HH TYR 37 5.948 12.340 -3.718 296 H LYS 38 HN LYS 38 3.891 7.334 -7.484 297 HA LYS 38 HA LYS 38 5.051 8.536 -8.936 298 1HB LYS 38 HB2 LYS 38 7.496 8.119 -7.193 299 2HB LYS 38 HB3 LYS 38 7.288 9.332 -8.439 300 1HG LYS 38 HG2 LYS 38 5.052 9.794 -6.879 301 2HG LYS 38 HG3 LYS 38 6.199 9.260 -5.667 302 1HD LYS 38 HD2 LYS 38 6.896 11.400 -7.722 303 2HD LYS 38 HD3 LYS 38 6.147 11.793 -6.188 304 1HE LYS 38 HE2 LYS 38 8.204 10.170 -5.333 305 2HE LYS 38 HE3 LYS 38 8.934 10.881 -6.759 306 1HZ LYS 38 HZ1 LYS 38 7.979 12.210 -4.356 307 2HZ LYS 38 HZ2 LYS 38 9.385 12.415 -5.161 308 3HZ LYS 38 HZ3 LYS 38 8.002 13.045 -5.759 309 H GLY 39 HN GLY 39 5.325 5.310 -8.312 310 1HA GLY 39 HA1 GLY 39 5.565 3.929 -10.293 311 2HA GLY 39 HA2 GLY 39 6.973 4.876 -10.731 312 H LYS 40 HN LYS 40 7.108 4.720 -7.400 313 HA LYS 40 HA LYS 40 8.963 2.471 -7.548 314 1HB LYS 40 HB2 LYS 40 10.005 4.426 -6.721 315 2HB LYS 40 HB3 LYS 40 8.658 4.815 -5.670 316 1HG LYS 40 HG2 LYS 40 9.118 2.761 -4.316 317 2HG LYS 40 HG3 LYS 40 10.463 2.368 -5.368 318 1HD LYS 40 HD2 LYS 40 11.843 3.791 -4.261 319 2HD LYS 40 HD3 LYS 40 10.720 5.122 -4.454 320 1HE LYS 40 HE2 LYS 40 9.364 3.969 -2.513 321 2HE LYS 40 HE3 LYS 40 10.844 3.081 -2.208 322 1HZ LYS 40 HZ1 LYS 40 10.994 5.969 -2.496 323 2HZ LYS 40 HZ2 LYS 40 10.429 5.351 -1.093 324 3HZ LYS 40 HZ3 LYS 40 11.931 4.969 -1.608 325 H SER 41 HN SER 41 8.044 0.527 -7.148 326 HA SER 41 HA SER 41 5.895 0.485 -5.198 327 1HB SER 41 HB2 SER 41 5.065 -1.410 -6.272 328 2HB SER 41 HB3 SER 41 5.792 -0.558 -7.619 329 HG SER 41 HG SER 41 7.746 -1.889 -7.263 330 H VAL 42 HN VAL 42 6.433 -0.094 -3.128 331 HA VAL 42 HA VAL 42 8.349 -2.243 -2.766 332 HB VAL 42 HB VAL 42 9.897 -1.086 -1.566 333 1HG1 VAL 42 HG11 VAL 42 8.800 0.945 -3.534 334 2HG1 VAL 42 HG12 VAL 42 10.356 1.123 -2.689 335 3HG1 VAL 42 HG13 VAL 42 10.099 -0.243 -3.800 336 1HG2 VAL 42 HG21 VAL 42 9.557 0.942 -0.315 337 2HG2 VAL 42 HG22 VAL 42 7.969 1.205 -1.075 338 3HG2 VAL 42 HG23 VAL 42 8.206 -0.162 0.039 339 H ASN 43 HN ASN 43 8.059 -3.358 -0.763 340 HA ASN 43 HA ASN 43 5.587 -3.728 0.077 341 1HB ASN 43 HB2 ASN 43 7.754 -3.664 2.201 342 2HB ASN 43 HB3 ASN 43 6.502 -4.866 1.957 343 1HD2 ASN 43 HD21 ASN 43 6.959 -6.653 0.895 344 2HD2 ASN 43 HD22 ASN 43 8.381 -6.966 -0.044 345 H LEU 44 HN LEU 44 4.344 -1.742 0.257 346 HA LEU 44 HA LEU 44 4.755 0.599 1.242 347 1HB LEU 44 HB2 LEU 44 2.480 -0.379 2.710 348 2HB LEU 44 HB3 LEU 44 2.556 0.728 1.353 349 HG LEU 44 HG LEU 44 2.707 -1.302 -0.164 350 1HD1 LEU 44 HD11 LEU 44 3.432 -2.964 1.430 351 2HD1 LEU 44 HD12 LEU 44 1.952 -2.740 2.394 352 3HD1 LEU 44 HD13 LEU 44 1.853 -3.435 0.758 353 1HD2 LEU 44 HD21 LEU 44 0.468 -0.070 1.107 354 2HD2 LEU 44 HD22 LEU 44 0.580 -0.793 -0.516 355 3HD2 LEU 44 HD23 LEU 44 0.106 -1.797 0.875 356 H LYS 45 HN LYS 45 4.779 -2.346 3.287 357 HA LYS 45 HA LYS 45 5.128 -0.860 5.697 358 1HB LYS 45 HB2 LYS 45 4.041 -3.109 5.536 359 2HB LYS 45 HB3 LYS 45 5.604 -3.806 5.158 360 1HG LYS 45 HG2 LYS 45 6.104 -2.235 7.446 361 2HG LYS 45 HG3 LYS 45 4.529 -2.939 7.758 362 1HD LYS 45 HD2 LYS 45 6.056 -5.064 6.670 363 2HD LYS 45 HD3 LYS 45 7.164 -4.229 7.741 364 1HE LYS 45 HE2 LYS 45 4.352 -4.889 8.679 365 2HE LYS 45 HE3 LYS 45 5.601 -6.117 8.719 366 1HZ LYS 45 HZ1 LYS 45 5.949 -3.469 9.932 367 2HZ LYS 45 HZ2 LYS 45 5.376 -4.756 10.757 368 3HZ LYS 45 HZ3 LYS 45 6.889 -4.787 10.142 369 H SER 46 HN SER 46 7.028 -0.799 3.124 370 HA SER 46 HA SER 46 9.487 -1.465 4.481 371 1HB SER 46 HB2 SER 46 8.910 -2.002 1.993 372 2HB SER 46 HB3 SER 46 9.232 -0.308 1.684 373 HG SER 46 HG SER 46 11.028 -2.380 2.483 374 H ILE 47 HN ILE 47 9.253 0.280 6.119 375 HA ILE 47 HA ILE 47 8.835 2.899 5.716 376 HB ILE 47 HB ILE 47 9.776 1.310 7.750 377 1HG1 ILE 47 HG12 ILE 47 9.397 3.245 9.162 378 2HG1 ILE 47 HG13 ILE 47 9.545 4.331 7.795 379 1HG2 ILE 47 HG21 ILE 47 11.729 2.691 8.634 380 2HG2 ILE 47 HG22 ILE 47 12.075 1.545 7.318 381 3HG2 ILE 47 HG23 ILE 47 11.922 3.283 6.967 382 1HD1 ILE 47 HD11 ILE 47 7.553 2.172 7.380 383 2HD1 ILE 47 HD12 ILE 47 7.163 3.280 8.717 384 3HD1 ILE 47 HD13 ILE 47 7.416 3.920 7.075 385 H MET 48 HN MET 48 12.116 1.340 5.513 386 HA MET 48 HA MET 48 13.586 3.414 4.790 387 1HB MET 48 HB2 MET 48 14.588 1.531 3.054 388 2HB MET 48 HB3 MET 48 14.859 1.468 4.784 389 1HG MET 48 HG2 MET 48 13.350 -0.275 5.106 390 2HG MET 48 HG3 MET 48 12.295 0.248 3.808 391 1HE MET 48 HE1 MET 48 14.087 0.696 1.396 392 2HE MET 48 HE2 MET 48 14.196 -0.899 0.613 393 3HE MET 48 HE3 MET 48 12.639 -0.331 1.263 394 H GLY 49 HN GLY 49 12.121 1.265 2.239 395 1HA GLY 49 HA1 GLY 49 12.595 2.972 0.098 396 2HA GLY 49 HA2 GLY 49 11.375 1.716 0.169 397 H VAL 50 HN VAL 50 9.519 2.486 1.988 398 HA VAL 50 HA VAL 50 8.064 4.429 0.659 399 HB VAL 50 HB VAL 50 7.875 2.809 3.074 400 1HG1 VAL 50 HG11 VAL 50 6.147 4.182 4.189 401 2HG1 VAL 50 HG12 VAL 50 7.747 4.961 4.213 402 3HG1 VAL 50 HG13 VAL 50 6.503 5.519 3.069 403 1HG2 VAL 50 HG21 VAL 50 5.343 3.144 2.279 404 2HG2 VAL 50 HG22 VAL 50 6.159 3.690 0.795 405 3HG2 VAL 50 HG23 VAL 50 6.472 2.058 1.434 406 H MET 51 HN MET 51 10.041 4.659 3.691 407 HA MET 51 HA MET 51 9.546 7.148 4.448 408 1HB MET 51 HB2 MET 51 11.186 5.686 5.569 409 2HB MET 51 HB3 MET 51 12.249 5.727 4.177 410 1HG MET 51 HG2 MET 51 13.143 7.265 5.842 411 2HG MET 51 HG3 MET 51 12.528 8.221 4.509 412 1HE MET 51 HE1 MET 51 10.831 6.276 7.447 413 2HE MET 51 HE2 MET 51 9.487 7.384 7.816 414 3HE MET 51 HE3 MET 51 9.592 6.614 6.214 415 H SER 52 HN SER 52 11.989 6.266 1.902 416 HA SER 52 HA SER 52 12.644 8.905 1.337 417 1HB SER 52 HB2 SER 52 14.083 7.989 -0.201 418 2HB SER 52 HB3 SER 52 13.701 6.512 0.661 419 HG SER 52 HG SER 52 13.007 7.304 -1.941 420 H LEU 53 HN LEU 53 9.928 6.858 0.442 421 HA LEU 53 HA LEU 53 9.198 8.632 -1.750 422 1HB LEU 53 HB2 LEU 53 8.796 5.859 -1.101 423 2HB LEU 53 HB3 LEU 53 7.244 6.640 -1.330 424 HG LEU 53 HG LEU 53 9.526 6.463 -3.307 425 1HD1 LEU 53 HD11 LEU 53 8.471 4.570 -3.833 426 2HD1 LEU 53 HD12 LEU 53 7.037 4.993 -2.866 427 3HD1 LEU 53 HD13 LEU 53 7.203 5.608 -4.528 428 1HD2 LEU 53 HD21 LEU 53 7.771 8.629 -3.046 429 2HD2 LEU 53 HD22 LEU 53 8.804 8.231 -4.440 430 3HD2 LEU 53 HD23 LEU 53 7.120 7.655 -4.387 431 H GLY 54 HN GLY 54 6.846 7.023 0.382 432 1HA GLY 54 HA1 GLY 54 5.239 7.835 1.727 433 2HA GLY 54 HA2 GLY 54 6.295 9.187 2.088 434 H VAL 55 HN VAL 55 3.263 8.809 1.343 435 HA VAL 55 HA VAL 55 3.259 10.955 -0.664 436 HB VAL 55 HB VAL 55 0.828 9.656 -0.898 437 1HG1 VAL 55 HG11 VAL 55 1.395 9.647 -3.078 438 2HG1 VAL 55 HG12 VAL 55 2.856 10.507 -2.536 439 3HG1 VAL 55 HG13 VAL 55 2.901 8.745 -2.786 440 1HG2 VAL 55 HG21 VAL 55 1.132 7.342 -1.002 441 2HG2 VAL 55 HG22 VAL 55 2.907 7.475 -1.023 442 3HG2 VAL 55 HG23 VAL 55 2.009 7.800 0.478 443 H GLY 56 HN GLY 56 0.593 11.668 -0.565 444 1HA GLY 56 HA1 GLY 56 -0.824 11.793 1.706 445 2HA GLY 56 HA2 GLY 56 0.469 12.927 2.046 446 H GLN 57 HN GLN 57 0.750 14.838 0.677 447 HA GLN 57 HA GLN 57 -1.455 16.219 0.174 448 1HB GLN 57 HB2 GLN 57 -0.112 17.752 -1.067 449 2HB GLN 57 HB3 GLN 57 0.988 16.978 0.056 450 1HG GLN 57 HG2 GLN 57 1.267 15.245 -2.005 451 2HG GLN 57 HG3 GLN 57 0.776 16.651 -2.929 452 1HE2 GLN 57 HE21 GLN 57 3.313 15.295 -2.919 453 2HE2 GLN 57 HE22 GLN 57 4.532 16.432 -2.448 454 H GLY 58 HN GLY 58 -3.076 14.724 -0.693 455 1HA GLY 58 HA1 GLY 58 -4.196 13.622 -2.323 456 2HA GLY 58 HA2 GLY 58 -3.812 15.052 -3.260 457 H SER 59 HN SER 59 -0.960 13.403 -2.231 458 HA SER 59 HA SER 59 -0.016 12.958 -4.712 459 1HB SER 59 HB2 SER 59 0.560 11.261 -2.242 460 2HB SER 59 HB3 SER 59 1.591 11.384 -3.654 461 HG SER 59 HG SER 59 1.837 12.865 -1.554 462 H ASP 60 HN ASP 60 0.540 10.714 -5.734 463 HA ASP 60 HA ASP 60 -1.792 8.989 -5.440 464 1HB ASP 60 HB2 ASP 60 -1.743 8.569 -7.844 465 2HB ASP 60 HB3 ASP 60 -1.822 10.299 -7.577 466 H VAL 61 HN VAL 61 -1.319 6.688 -5.589 467 HA VAL 61 HA VAL 61 1.425 5.919 -6.124 468 HB VAL 61 HB VAL 61 1.589 4.667 -4.020 469 1HG1 VAL 61 HG11 VAL 61 2.217 6.505 -2.632 470 2HG1 VAL 61 HG12 VAL 61 2.507 7.005 -4.315 471 3HG1 VAL 61 HG13 VAL 61 1.071 7.598 -3.446 472 1HG2 VAL 61 HG21 VAL 61 -1.178 5.604 -3.710 473 2HG2 VAL 61 HG22 VAL 61 -0.341 4.224 -2.958 474 3HG2 VAL 61 HG23 VAL 61 -0.173 5.854 -2.262 475 H THR 62 HN THR 62 1.504 3.343 -5.843 476 HA THR 62 HA THR 62 -1.066 2.260 -6.776 477 HB THR 62 HB THR 62 1.605 2.389 -8.142 478 HG1 THR 62 HG1 THR 62 0.042 3.202 -9.480 479 1HG2 THR 62 HG21 THR 62 1.597 -0.006 -7.962 480 2HG2 THR 62 HG22 THR 62 -0.179 -0.083 -8.050 481 3HG2 THR 62 HG23 THR 62 0.768 0.318 -9.503 482 H ILE 63 HN ILE 63 -1.584 0.198 -6.099 483 HA ILE 63 HA ILE 63 0.312 -0.909 -4.147 484 HB ILE 63 HB ILE 63 -2.319 -0.057 -3.800 485 1HG1 ILE 63 HG12 ILE 63 -1.803 -1.621 -1.607 486 2HG1 ILE 63 HG13 ILE 63 -0.187 -1.371 -2.238 487 1HG2 ILE 63 HG21 ILE 63 -3.668 -1.931 -3.379 488 2HG2 ILE 63 HG22 ILE 63 -2.918 -2.252 -4.961 489 3HG2 ILE 63 HG23 ILE 63 -2.298 -3.059 -3.501 490 1HD1 ILE 63 HD11 ILE 63 -0.428 1.040 -2.164 491 2HD1 ILE 63 HD12 ILE 63 -2.171 0.908 -1.824 492 3HD1 ILE 63 HD13 ILE 63 -0.985 0.405 -0.596 493 H THR 64 HN THR 64 0.603 -3.209 -4.101 494 HA THR 64 HA THR 64 -0.498 -4.623 -6.425 495 HB THR 64 HB THR 64 2.396 -4.988 -5.599 496 HG1 THR 64 HG1 THR 64 1.450 -3.104 -7.605 497 1HG2 THR 64 HG21 THR 64 2.065 -4.799 -8.405 498 2HG2 THR 64 HG22 THR 64 2.286 -6.299 -7.473 499 3HG2 THR 64 HG23 THR 64 0.646 -5.717 -7.848 500 H VAL 65 HN VAL 65 -1.043 -6.749 -6.097 501 HA VAL 65 HA VAL 65 -0.365 -7.839 -3.464 502 HB VAL 65 HB VAL 65 -2.681 -6.756 -3.626 503 1HG1 VAL 65 HG11 VAL 65 -4.154 -7.443 -5.156 504 2HG1 VAL 65 HG12 VAL 65 -2.861 -8.419 -5.893 505 3HG1 VAL 65 HG13 VAL 65 -3.938 -9.143 -4.674 506 1HG2 VAL 65 HG21 VAL 65 -3.687 -9.022 -2.591 507 2HG2 VAL 65 HG22 VAL 65 -1.961 -9.457 -2.593 508 3HG2 VAL 65 HG23 VAL 65 -2.512 -8.003 -1.726 509 H ASP 66 HN ASP 66 0.525 -9.834 -3.627 510 HA ASP 66 HA ASP 66 -0.239 -11.406 -5.944 511 1HB ASP 66 HB2 ASP 66 2.556 -11.851 -5.212 512 2HB ASP 66 HB3 ASP 66 1.873 -11.499 -6.786 513 H GLY 67 HN GLY 67 -0.850 -13.456 -5.221 514 1HA GLY 67 HA1 GLY 67 0.214 -15.345 -3.860 515 2HA GLY 67 HA2 GLY 67 -0.002 -14.248 -2.511 516 H ALA 68 HN ALA 68 -1.396 -16.051 -1.651 517 HA ALA 68 HA ALA 68 -3.808 -16.693 -2.984 518 1HB ALA 68 HB1 ALA 68 -3.843 -17.057 -0.089 519 2HB ALA 68 HB2 ALA 68 -3.861 -18.277 -1.385 520 3HB ALA 68 HB3 ALA 68 -2.312 -17.624 -0.797 521 H ASP 69 HN ASP 69 -3.016 -14.588 -0.129 522 HA ASP 69 HA ASP 69 -5.588 -13.704 0.253 523 1HB ASP 69 HB2 ASP 69 -2.875 -12.971 1.102 524 2HB ASP 69 HB3 ASP 69 -3.875 -11.544 0.917 525 H GLU 70 HN GLU 70 -3.200 -12.992 -2.212 526 HA GLU 70 HA GLU 70 -3.170 -10.676 -3.103 527 1HB GLU 70 HB2 GLU 70 -3.805 -11.397 -5.433 528 2HB GLU 70 HB3 GLU 70 -2.713 -12.503 -4.624 529 1HG GLU 70 HG2 GLU 70 -4.252 -14.063 -5.348 530 2HG GLU 70 HG3 GLU 70 -5.042 -13.636 -3.843 531 H ALA 71 HN ALA 71 -6.346 -12.425 -3.452 532 HA ALA 71 HA ALA 71 -7.773 -10.169 -4.270 533 1HB ALA 71 HB1 ALA 71 -9.704 -11.690 -3.230 534 2HB ALA 71 HB2 ALA 71 -8.861 -12.156 -4.726 535 3HB ALA 71 HB3 ALA 71 -8.395 -12.894 -3.175 536 H GLU 72 HN GLU 72 -8.258 -11.849 -1.094 537 HA GLU 72 HA GLU 72 -9.489 -9.818 0.148 538 1HB GLU 72 HB2 GLU 72 -7.940 -10.955 2.189 539 2HB GLU 72 HB3 GLU 72 -9.519 -11.500 1.658 540 1HG GLU 72 HG2 GLU 72 -8.612 -13.179 0.240 541 2HG GLU 72 HG3 GLU 72 -7.042 -12.406 0.162 542 H GLY 73 HN GLY 73 -5.913 -10.425 0.051 543 1HA GLY 73 HA1 GLY 73 -4.950 -8.488 1.672 544 2HA GLY 73 HA2 GLY 73 -4.198 -8.958 0.160 545 H MET 74 HN MET 74 -5.019 -7.867 -1.891 546 HA MET 74 HA MET 74 -4.787 -5.180 -1.694 547 1HB MET 74 HB2 MET 74 -6.015 -5.260 -4.023 548 2HB MET 74 HB3 MET 74 -4.526 -6.169 -3.856 549 1HG MET 74 HG2 MET 74 -5.866 -7.838 -4.763 550 2HG MET 74 HG3 MET 74 -6.198 -8.121 -3.066 551 1HE MET 74 HE1 MET 74 -8.688 -5.735 -6.030 552 2HE MET 74 HE2 MET 74 -7.963 -4.735 -4.748 553 3HE MET 74 HE3 MET 74 -6.924 -5.727 -5.799 554 H ALA 75 HN ALA 75 -7.804 -7.162 -1.702 555 HA ALA 75 HA ALA 75 -9.724 -5.313 -2.006 556 1HB ALA 75 HB1 ALA 75 -11.030 -7.013 -1.304 557 2HB ALA 75 HB2 ALA 75 -9.524 -7.925 -1.046 558 3HB ALA 75 HB3 ALA 75 -10.267 -7.035 0.304 559 H ALA 76 HN ALA 76 -8.275 -6.155 1.227 560 HA ALA 76 HA ALA 76 -9.498 -4.157 2.656 561 1HB ALA 76 HB1 ALA 76 -8.378 -5.313 4.221 562 2HB ALA 76 HB2 ALA 76 -7.353 -6.065 2.975 563 3HB ALA 76 HB3 ALA 76 -6.877 -4.511 3.700 564 H ILE 77 HN ILE 77 -6.131 -4.073 1.272 565 HA ILE 77 HA ILE 77 -5.515 -1.506 1.854 566 HB ILE 77 HB ILE 77 -4.690 -3.511 -0.085 567 1HG1 ILE 77 HG12 ILE 77 -3.401 -3.182 1.878 568 2HG1 ILE 77 HG13 ILE 77 -2.442 -2.578 0.541 569 1HG2 ILE 77 HG21 ILE 77 -5.287 -1.711 -1.673 570 2HG2 ILE 77 HG22 ILE 77 -4.183 -0.613 -0.811 571 3HG2 ILE 77 HG23 ILE 77 -3.541 -2.055 -1.634 572 1HD1 ILE 77 HD11 ILE 77 -4.017 -0.369 1.406 573 2HD1 ILE 77 HD12 ILE 77 -3.401 -1.151 2.881 574 3HD1 ILE 77 HD13 ILE 77 -2.266 -0.600 1.625 575 H VAL 78 HN VAL 78 -7.187 -2.623 -1.175 576 HA VAL 78 HA VAL 78 -7.601 -0.144 -2.271 577 HB VAL 78 HB VAL 78 -9.581 -2.415 -2.382 578 1HG1 VAL 78 HG11 VAL 78 -8.822 -1.062 -4.865 579 2HG1 VAL 78 HG12 VAL 78 -10.433 -1.386 -4.182 580 3HG1 VAL 78 HG13 VAL 78 -9.516 0.046 -3.657 581 1HG2 VAL 78 HG21 VAL 78 -7.746 -2.727 -4.491 582 2HG2 VAL 78 HG22 VAL 78 -6.758 -2.484 -3.031 583 3HG2 VAL 78 HG23 VAL 78 -7.967 -3.790 -3.080 584 H GLU 79 HN GLU 79 -9.984 -2.023 -0.260 585 HA GLU 79 HA GLU 79 -11.818 -0.024 -0.060 586 1HB GLU 79 HB2 GLU 79 -11.216 -2.543 1.317 587 2HB GLU 79 HB3 GLU 79 -11.927 -1.375 2.413 588 1HG GLU 79 HG2 GLU 79 -13.355 -1.270 -0.112 589 2HG GLU 79 HG3 GLU 79 -13.251 -2.941 0.406 590 H THR 80 HN THR 80 -8.979 -0.726 2.072 591 HA THR 80 HA THR 80 -9.506 1.293 3.945 592 HB THR 80 HB THR 80 -7.505 -0.717 3.342 593 HG1 THR 80 HG1 THR 80 -7.866 1.138 5.585 594 1HG2 THR 80 HG21 THR 80 -6.298 1.802 4.533 595 2HG2 THR 80 HG22 THR 80 -5.467 0.364 3.892 596 3HG2 THR 80 HG23 THR 80 -6.211 1.534 2.775 597 H LEU 81 HN LEU 81 -7.605 1.307 0.881 598 HA LEU 81 HA LEU 81 -6.473 3.778 1.103 599 1HB LEU 81 HB2 LEU 81 -7.483 2.176 -1.224 600 2HB LEU 81 HB3 LEU 81 -6.818 3.778 -1.475 601 HG LEU 81 HG LEU 81 -5.431 1.344 -1.314 602 1HD1 LEU 81 HD11 LEU 81 -3.675 2.558 -2.133 603 2HD1 LEU 81 HD12 LEU 81 -5.014 3.682 -2.470 604 3HD1 LEU 81 HD13 LEU 81 -3.973 3.939 -1.049 605 1HD2 LEU 81 HD21 LEU 81 -4.723 3.080 1.067 606 2HD2 LEU 81 HD22 LEU 81 -5.554 1.508 1.147 607 3HD2 LEU 81 HD23 LEU 81 -3.886 1.603 0.532 608 H GLN 82 HN GLN 82 -9.809 2.933 -0.004 609 HA GLN 82 HA GLN 82 -10.387 5.760 -0.135 610 1HB GLN 82 HB2 GLN 82 -12.459 3.646 -0.688 611 2HB GLN 82 HB3 GLN 82 -12.232 5.203 -1.459 612 1HG GLN 82 HG2 GLN 82 -10.808 4.349 -3.025 613 2HG GLN 82 HG3 GLN 82 -9.893 3.449 -1.832 614 1HE2 GLN 82 HE21 GLN 82 -11.795 1.852 -0.695 615 2HE2 GLN 82 HE22 GLN 82 -12.411 0.708 -1.841 616 H LYS 83 HN LYS 83 -10.524 3.139 2.080 617 HA LYS 83 HA LYS 83 -12.896 4.033 3.440 618 1HB LYS 83 HB2 LYS 83 -12.861 1.898 4.055 619 2HB LYS 83 HB3 LYS 83 -11.261 1.676 3.378 620 1HG LYS 83 HG2 LYS 83 -10.216 2.504 5.457 621 2HG LYS 83 HG3 LYS 83 -11.786 2.887 6.132 622 1HD LYS 83 HD2 LYS 83 -10.521 0.557 6.659 623 2HD LYS 83 HD3 LYS 83 -12.269 0.686 6.634 624 1HE LYS 83 HE2 LYS 83 -12.219 0.031 4.173 625 2HE LYS 83 HE3 LYS 83 -10.494 -0.241 4.326 626 1HZ LYS 83 HZ1 LYS 83 -10.884 -1.934 5.891 627 2HZ LYS 83 HZ2 LYS 83 -12.468 -1.570 6.043 628 3HZ LYS 83 HZ3 LYS 83 -11.910 -2.222 4.654 629 H GLU 84 HN GLU 84 -9.320 4.221 3.826 630 HA GLU 84 HA GLU 84 -9.705 5.788 6.213 631 1HB GLU 84 HB2 GLU 84 -7.033 5.208 4.902 632 2HB GLU 84 HB3 GLU 84 -7.370 5.516 6.594 633 1HG GLU 84 HG2 GLU 84 -8.373 3.063 5.074 634 2HG GLU 84 HG3 GLU 84 -6.921 3.080 6.055 635 H GLY 85 HN GLY 85 -10.289 6.545 3.188 636 1HA GLY 85 HA1 GLY 85 -10.186 8.394 1.915 637 2HA GLY 85 HA2 GLY 85 -9.926 9.278 3.406 638 H LEU 86 HN LEU 86 -7.551 6.806 2.817 639 HA LEU 86 HA LEU 86 -5.516 8.777 2.539 640 1HB LEU 86 HB2 LEU 86 -5.744 5.972 3.165 641 2HB LEU 86 HB3 LEU 86 -4.482 6.221 1.975 642 HG LEU 86 HG LEU 86 -4.608 7.036 4.826 643 1HD1 LEU 86 HD11 LEU 86 -1.963 6.812 3.882 644 2HD1 LEU 86 HD12 LEU 86 -2.891 5.633 4.840 645 3HD1 LEU 86 HD13 LEU 86 -2.896 5.537 3.063 646 1HD2 LEU 86 HD21 LEU 86 -2.753 8.781 4.244 647 2HD2 LEU 86 HD22 LEU 86 -3.575 8.845 2.667 648 3HD2 LEU 86 HD23 LEU 86 -4.471 9.237 4.154 649 H ALA 87 HN ALA 87 -7.102 6.359 0.381 650 HA ALA 87 HA ALA 87 -6.030 7.894 -1.872 651 1HB ALA 87 HB1 ALA 87 -5.402 5.149 -1.116 652 2HB ALA 87 HB2 ALA 87 -6.165 5.218 -2.723 653 3HB ALA 87 HB3 ALA 87 -4.692 6.162 -2.396 654 H GLU 88 HN GLU 88 -7.315 7.417 -3.924 655 HA GLU 88 HA GLU 88 -10.092 7.248 -3.133 656 1HB GLU 88 HB2 GLU 88 -10.417 8.086 -5.570 657 2HB GLU 88 HB3 GLU 88 -9.724 9.199 -4.407 658 1HG GLU 88 HG2 GLU 88 -7.653 9.192 -5.420 659 2HG GLU 88 HG3 GLU 88 -7.729 7.485 -5.810 660 H GLN 89 HN GLN 89 -11.422 6.376 -5.352 661 HA GLN 89 HA GLN 89 -11.420 3.735 -5.202 662 1HB GLN 89 HB2 GLN 89 -11.953 5.473 -7.645 663 2HB GLN 89 HB3 GLN 89 -12.338 3.764 -7.602 664 1HG GLN 89 HG2 GLN 89 -14.344 4.425 -6.735 665 2HG GLN 89 HG3 GLN 89 -13.470 4.613 -5.227 666 1HE2 GLN 89 HE21 GLN 89 -15.742 6.040 -6.728 667 2HE2 GLN 89 HE22 GLN 89 -15.368 7.726 -6.590
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