NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620030 | 5ub0 | 30220 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 17.421 -8.263 7.666 2 HA MET 1 HA MET 1 20.171 -9.290 7.664 3 HB2 MET 1 2HB MET 1 18.276 -9.297 10.018 4 HB3 MET 1 3HB MET 1 19.765 -10.230 9.948 5 HG2 MET 1 2HG MET 1 19.668 -7.239 9.670 6 HG3 MET 1 3HG MET 1 19.899 -8.072 11.205 7 HE1 MET 1 1HE MET 1 21.845 -8.107 12.182 8 HE2 MET 1 2HE MET 1 22.399 -9.683 11.616 9 HE3 MET 1 3HE MET 1 23.470 -8.284 11.518 10 H THR 2 H THR 2 20.252 -11.200 6.699 11 HA THR 2 HA THR 2 17.808 -12.686 6.212 12 HB THR 2 HB THR 2 20.516 -13.645 5.356 13 HG1 THR 2 HG1 THR 2 20.781 -11.821 4.320 14 HG21 THR 2 1HG2 THR 2 18.325 -13.654 3.442 15 HG22 THR 2 2HG2 THR 2 17.927 -14.520 4.926 16 HG23 THR 2 3HG2 THR 2 19.349 -14.980 3.990 17 H PHE 3 H PHE 3 17.203 -14.511 7.209 18 HA PHE 3 HA PHE 3 19.045 -15.644 9.205 19 HB2 PHE 3 2HB PHE 3 16.110 -15.198 9.158 20 HB3 PHE 3 3HB PHE 3 16.674 -16.665 9.952 21 HD1 PHE 3 HD1 PHE 3 16.343 -13.085 10.173 22 HD2 PHE 3 HD2 PHE 3 18.256 -16.489 11.868 23 HE1 PHE 3 HE1 PHE 3 16.857 -11.784 12.198 24 HE2 PHE 3 HE2 PHE 3 18.772 -15.194 13.895 25 HZ PHE 3 HZ PHE 3 18.071 -12.839 14.062 26 H LYS 4 H LYS 4 18.813 -17.993 9.609 27 HA LYS 4 HA LYS 4 18.055 -19.477 7.183 28 HB2 LYS 4 2HB LYS 4 20.629 -19.046 7.764 29 HB3 LYS 4 3HB LYS 4 20.364 -20.454 8.784 30 HG2 LYS 4 2HG LYS 4 19.341 -21.480 6.617 31 HG3 LYS 4 3HG LYS 4 20.285 -20.224 5.813 32 HD2 LYS 4 2HD LYS 4 21.652 -21.858 7.879 33 HD3 LYS 4 3HD LYS 4 21.279 -22.636 6.339 34 HE2 LYS 4 2HE LYS 4 23.485 -21.706 6.208 35 HE3 LYS 4 3HE LYS 4 22.415 -20.753 5.182 36 HZ1 LYS 4 1HZ LYS 4 22.894 -19.908 7.958 37 HZ2 LYS 4 2HZ LYS 4 22.482 -18.973 6.610 38 HZ3 LYS 4 3HZ LYS 4 24.056 -19.572 6.775 39 H LEU 5 H LEU 5 16.812 -21.212 7.529 40 HA LEU 5 HA LEU 5 16.290 -21.985 10.307 41 HB2 LEU 5 2HB LEU 5 14.380 -21.307 8.923 42 HB3 LEU 5 3HB LEU 5 14.748 -22.607 7.791 43 HG LEU 5 HG LEU 5 14.161 -24.269 9.429 44 HD11 LEU 5 1HD1 LEU 5 14.656 -23.704 11.545 45 HD12 LEU 5 2HD1 LEU 5 13.008 -23.080 11.568 46 HD13 LEU 5 3HD1 LEU 5 14.359 -21.988 11.268 47 HD21 LEU 5 1HD2 LEU 5 11.754 -23.440 9.935 48 HD22 LEU 5 2HD2 LEU 5 12.257 -23.673 8.261 49 HD23 LEU 5 3HD2 LEU 5 12.215 -22.050 8.952 50 H ILE 6 H ILE 6 16.685 -23.991 11.076 51 HA ILE 6 HA ILE 6 17.764 -25.978 9.185 52 HB ILE 6 HB ILE 6 18.730 -25.278 11.950 53 HG12 ILE 6 2HG1 ILE 6 19.660 -24.035 10.009 54 HG13 ILE 6 3HG1 ILE 6 20.874 -24.994 10.848 55 HG21 ILE 6 1HG2 ILE 6 19.221 -27.777 10.350 56 HG22 ILE 6 2HG2 ILE 6 20.292 -27.241 11.643 57 HG23 ILE 6 3HG2 ILE 6 18.612 -27.639 11.999 58 HD11 ILE 6 1HD1 ILE 6 21.406 -25.972 8.944 59 HD12 ILE 6 2HD1 ILE 6 19.763 -26.597 8.796 60 HD13 ILE 6 3HD1 ILE 6 20.175 -25.025 8.109 61 H ILE 7 H ILE 7 16.171 -27.431 8.975 62 HA ILE 7 HA ILE 7 14.693 -28.289 11.357 63 HB ILE 7 HB ILE 7 14.118 -29.005 8.483 64 HG12 ILE 7 2HG1 ILE 7 12.907 -26.808 10.177 65 HG13 ILE 7 3HG1 ILE 7 13.997 -26.566 8.815 66 HG21 ILE 7 1HG2 ILE 7 13.124 -29.995 10.915 67 HG22 ILE 7 2HG2 ILE 7 11.855 -28.973 10.240 68 HG23 ILE 7 3HG2 ILE 7 12.512 -30.306 9.291 69 HD11 ILE 7 1HD1 ILE 7 11.932 -28.135 7.812 70 HD12 ILE 7 2HD1 ILE 7 11.148 -26.937 8.842 71 HD13 ILE 7 3HD1 ILE 7 12.205 -26.416 7.530 72 H ASN 8 H ASN 8 16.232 -29.635 12.311 73 HA ASN 8 HA ASN 8 17.548 -31.721 10.880 74 HB2 ASN 8 2HB ASN 8 18.383 -30.649 13.006 75 HB3 ASN 8 3HB ASN 8 17.133 -31.542 13.868 76 HD21 ASN 8 1HD2 ASN 8 19.902 -31.767 14.325 77 HD22 ASN 8 2HD2 ASN 8 20.378 -33.380 13.930 78 H GLY 9 H GLY 9 15.712 -32.708 9.823 79 HA2 GLY 9 2HA GLY 9 13.946 -34.259 11.586 80 HA3 GLY 9 3HA GLY 9 13.675 -33.948 9.877 81 H LYS 10 H LYS 10 14.427 -36.296 12.017 82 HA LYS 10 HA LYS 10 16.512 -37.717 10.763 83 HB2 LYS 10 2HB LYS 10 15.606 -39.682 12.021 84 HB3 LYS 10 3HB LYS 10 15.910 -38.265 13.018 85 HG2 LYS 10 2HG LYS 10 13.833 -38.372 13.763 86 HG3 LYS 10 3HG LYS 10 13.241 -38.083 12.126 87 HD2 LYS 10 2HD LYS 10 13.338 -40.498 11.681 88 HD3 LYS 10 3HD LYS 10 13.899 -40.772 13.332 89 HE2 LYS 10 2HE LYS 10 11.753 -39.528 14.031 90 HE3 LYS 10 3HE LYS 10 11.213 -39.836 12.381 91 HZ1 LYS 10 1HZ LYS 10 11.078 -41.558 14.543 92 HZ2 LYS 10 2HZ LYS 10 12.259 -42.202 13.518 93 HZ3 LYS 10 3HZ LYS 10 10.700 -41.904 12.931 94 H THR 11 H THR 11 13.114 -37.454 10.090 95 HA THR 11 HA THR 11 13.267 -39.636 8.135 96 HB THR 11 HB THR 11 10.716 -39.046 7.952 97 HG1 THR 11 HG1 THR 11 10.262 -37.437 9.263 98 HG21 THR 11 1HG2 THR 11 10.529 -40.370 10.302 99 HG22 THR 11 2HG2 THR 11 12.222 -40.663 9.905 100 HG23 THR 11 3HG2 THR 11 10.955 -41.139 8.774 101 H LEU 12 H LEU 12 12.804 -36.181 8.428 102 HA LEU 12 HA LEU 12 13.308 -35.865 5.594 103 HB2 LEU 12 2HB LEU 12 10.788 -36.128 5.979 104 HB3 LEU 12 3HB LEU 12 10.870 -34.540 6.740 105 HG LEU 12 HG LEU 12 11.878 -33.735 4.528 106 HD11 LEU 12 1HD1 LEU 12 12.404 -35.449 3.168 107 HD12 LEU 12 2HD1 LEU 12 10.708 -35.335 2.701 108 HD13 LEU 12 3HD1 LEU 12 11.215 -36.532 3.892 109 HD21 LEU 12 1HD2 LEU 12 9.046 -34.522 5.032 110 HD22 LEU 12 2HD2 LEU 12 9.488 -33.849 3.463 111 HD23 LEU 12 3HD2 LEU 12 9.771 -32.917 4.934 112 H LYS 13 H LYS 13 14.953 -34.487 5.648 113 HA LYS 13 HA LYS 13 14.948 -32.317 7.621 114 HB2 LYS 13 2HB LYS 13 16.927 -33.961 7.252 115 HB3 LYS 13 3HB LYS 13 17.259 -32.989 5.824 116 HG2 LYS 13 2HG LYS 13 17.295 -30.981 7.360 117 HG3 LYS 13 3HG LYS 13 17.295 -32.129 8.701 118 HD2 LYS 13 2HD LYS 13 19.297 -32.456 6.514 119 HD3 LYS 13 3HD LYS 13 19.549 -31.196 7.724 120 HE2 LYS 13 2HE LYS 13 20.667 -33.009 8.637 121 HE3 LYS 13 3HE LYS 13 19.097 -33.083 9.435 122 HZ1 LYS 13 1HZ LYS 13 20.136 -35.206 8.389 123 HZ2 LYS 13 2HZ LYS 13 19.509 -34.586 6.945 124 HZ3 LYS 13 3HZ LYS 13 18.474 -34.920 8.242 125 H GLY 14 H GLY 14 15.558 -30.162 6.961 126 HA2 GLY 14 2HA GLY 14 15.626 -29.453 4.185 127 HA3 GLY 14 3HA GLY 14 14.073 -29.087 4.921 128 H GLU 15 H GLU 15 15.068 -26.927 4.044 129 HA GLU 15 HA GLU 15 15.778 -25.402 6.359 130 HB2 GLU 15 2HB GLU 15 17.888 -24.478 5.397 131 HB3 GLU 15 3HB GLU 15 18.000 -26.167 5.870 132 HG2 GLU 15 2HG GLU 15 17.637 -26.801 3.501 133 HG3 GLU 15 3HG GLU 15 17.686 -25.091 3.079 134 H THR 16 H THR 16 15.603 -23.147 6.027 135 HA THR 16 HA THR 16 14.964 -22.125 3.402 136 HB THR 16 HB THR 16 12.787 -22.972 3.908 137 HG1 THR 16 HG1 THR 16 12.466 -21.000 3.055 138 HG21 THR 16 1HG2 THR 16 13.112 -21.620 6.587 139 HG22 THR 16 2HG2 THR 16 12.964 -23.349 6.275 140 HG23 THR 16 3HG2 THR 16 11.591 -22.281 5.989 141 H THR 17 H THR 17 14.885 -19.838 3.319 142 HA THR 17 HA THR 17 15.814 -18.494 5.773 143 HB THR 17 HB THR 17 17.159 -16.983 4.330 144 HG1 THR 17 HG1 THR 17 16.712 -18.889 2.267 145 HG21 THR 17 1HG2 THR 17 18.773 -18.377 4.988 146 HG22 THR 17 2HG2 THR 17 18.555 -19.244 3.468 147 HG23 THR 17 3HG2 THR 17 17.685 -19.762 4.911 148 H THR 18 H THR 18 15.133 -16.364 6.106 149 HA THR 18 HA THR 18 13.270 -15.176 4.210 150 HB THR 18 HB THR 18 11.876 -16.615 5.694 151 HG1 THR 18 HG1 THR 18 10.917 -14.773 4.817 152 HG21 THR 18 1HG2 THR 18 11.643 -16.181 8.005 153 HG22 THR 18 2HG2 THR 18 12.566 -14.682 7.896 154 HG23 THR 18 3HG2 THR 18 13.380 -16.235 7.712 155 H GLU 19 H GLU 19 13.264 -12.982 4.264 156 HA GLU 19 HA GLU 19 15.322 -11.672 5.739 157 HB2 GLU 19 2HB GLU 19 13.230 -10.819 3.784 158 HB3 GLU 19 3HB GLU 19 14.036 -9.590 4.747 159 HG2 GLU 19 2HG GLU 19 16.069 -9.937 3.748 160 HG3 GLU 19 3HG GLU 19 15.687 -11.598 3.299 161 H ALA 20 H ALA 20 15.234 -10.680 7.650 162 HA ALA 20 HA ALA 20 12.726 -9.660 8.693 163 HB1 ALA 20 1HB ALA 20 13.458 -10.974 10.918 164 HB2 ALA 20 2HB ALA 20 12.310 -11.615 9.743 165 HB3 ALA 20 3HB ALA 20 13.997 -12.126 9.696 166 H VAL 21 H VAL 21 13.089 -8.592 10.870 167 HA VAL 21 HA VAL 21 15.674 -7.201 10.789 168 HB VAL 21 HB VAL 21 14.539 -5.500 12.237 169 HG11 VAL 21 1HG1 VAL 21 13.447 -4.415 10.441 170 HG12 VAL 21 2HG1 VAL 21 14.730 -5.387 9.719 171 HG13 VAL 21 3HG1 VAL 21 13.058 -5.946 9.657 172 HG21 VAL 21 1HG2 VAL 21 12.534 -5.868 13.121 173 HG22 VAL 21 2HG2 VAL 21 11.846 -6.215 11.534 174 HG23 VAL 21 3HG2 VAL 21 12.597 -7.507 12.471 175 H ASP 22 H ASP 22 13.644 -9.194 12.785 176 HA ASP 22 HA ASP 22 15.792 -9.317 14.777 177 HB2 ASP 22 2HB ASP 22 12.866 -8.834 15.339 178 HB3 ASP 22 3HB ASP 22 13.979 -9.441 16.562 179 H ALA 23 H ALA 23 15.693 -11.252 16.132 180 HA ALA 23 HA ALA 23 15.382 -13.593 14.659 181 HB1 ALA 23 1HB ALA 23 15.132 -14.288 17.378 182 HB2 ALA 23 2HB ALA 23 16.581 -14.329 16.373 183 HB3 ALA 23 3HB ALA 23 16.194 -12.882 17.305 184 H ALA 24 H ALA 24 13.074 -11.788 16.510 185 HA ALA 24 HA ALA 24 11.159 -13.942 16.686 186 HB1 ALA 24 1HB ALA 24 11.258 -12.258 18.443 187 HB2 ALA 24 2HB ALA 24 10.847 -11.000 17.275 188 HB3 ALA 24 3HB ALA 24 9.676 -12.260 17.663 189 H THR 25 H THR 25 11.826 -11.245 14.573 190 HA THR 25 HA THR 25 9.328 -11.173 13.240 191 HB THR 25 HB THR 25 12.030 -10.337 12.168 192 HG1 THR 25 HG1 THR 25 11.301 -9.329 14.194 193 HG21 THR 25 1HG2 THR 25 10.218 -8.652 11.069 194 HG22 THR 25 2HG2 THR 25 9.268 -10.136 11.158 195 HG23 THR 25 3HG2 THR 25 10.800 -10.120 10.284 196 H ALA 26 H ALA 26 12.385 -12.826 12.533 197 HA ALA 26 HA ALA 26 11.412 -14.013 10.113 198 HB1 ALA 26 1HB ALA 26 13.891 -13.556 11.095 199 HB2 ALA 26 2HB ALA 26 13.712 -15.277 11.435 200 HB3 ALA 26 3HB ALA 26 13.534 -14.681 9.785 201 H GLU 27 H GLU 27 11.952 -15.152 13.429 202 HA GLU 27 HA GLU 27 11.367 -17.836 13.098 203 HB2 GLU 27 2HB GLU 27 12.224 -16.985 15.193 204 HB3 GLU 27 3HB GLU 27 10.771 -16.026 15.442 205 HG2 GLU 27 2HG GLU 27 9.451 -18.059 15.659 206 HG3 GLU 27 3HG GLU 27 10.893 -19.033 15.381 207 H LYS 28 H LYS 28 9.229 -15.092 13.155 208 HA LYS 28 HA LYS 28 6.800 -16.385 13.692 209 HB2 LYS 28 2HB LYS 28 7.183 -13.904 13.632 210 HB3 LYS 28 3HB LYS 28 7.200 -14.002 11.876 211 HG2 LYS 28 2HG LYS 28 5.030 -13.393 12.259 212 HG3 LYS 28 3HG LYS 28 4.875 -15.151 12.216 213 HD2 LYS 28 2HD LYS 28 5.272 -14.983 14.781 214 HD3 LYS 28 3HD LYS 28 4.802 -13.296 14.564 215 HE2 LYS 28 2HE LYS 28 3.123 -15.545 13.501 216 HE3 LYS 28 3HE LYS 28 2.976 -14.997 15.170 217 HZ1 LYS 28 1HZ LYS 28 2.073 -13.022 14.543 218 HZ2 LYS 28 2HZ LYS 28 1.511 -13.980 13.268 219 HZ3 LYS 28 3HZ LYS 28 2.862 -12.986 13.047 220 H VAL 29 H VAL 29 8.512 -15.824 10.645 221 HA VAL 29 HA VAL 29 6.459 -17.173 9.110 222 HB VAL 29 HB VAL 29 9.174 -16.196 8.214 223 HG11 VAL 29 1HG1 VAL 29 7.903 -16.179 5.968 224 HG12 VAL 29 2HG1 VAL 29 8.486 -17.721 6.597 225 HG13 VAL 29 3HG1 VAL 29 6.786 -17.284 6.768 226 HG21 VAL 29 1HG2 VAL 29 7.671 -14.367 7.168 227 HG22 VAL 29 2HG2 VAL 29 6.502 -14.855 8.395 228 HG23 VAL 29 3HG2 VAL 29 8.087 -14.254 8.879 229 H LEU 30 H LEU 30 9.724 -17.816 10.275 230 HA LEU 30 HA LEU 30 10.169 -20.210 8.871 231 HB2 LEU 30 2HB LEU 30 11.235 -19.302 11.540 232 HB3 LEU 30 3HB LEU 30 11.851 -20.677 10.626 233 HG LEU 30 HG LEU 30 11.943 -17.791 9.748 234 HD11 LEU 30 1HD1 LEU 30 13.452 -18.661 11.675 235 HD12 LEU 30 2HD1 LEU 30 14.166 -17.730 10.359 236 HD13 LEU 30 3HD1 LEU 30 14.319 -19.487 10.380 237 HD21 LEU 30 1HD2 LEU 30 12.381 -18.529 7.704 238 HD22 LEU 30 2HD2 LEU 30 12.074 -20.180 8.242 239 HD23 LEU 30 3HD2 LEU 30 13.706 -19.516 8.323 240 H LYS 31 H LYS 31 8.919 -19.641 12.152 241 HA LYS 31 HA LYS 31 8.548 -22.304 12.891 242 HB2 LYS 31 2HB LYS 31 7.153 -21.499 14.635 243 HB3 LYS 31 3HB LYS 31 8.369 -20.257 14.366 244 HG2 LYS 31 2HG LYS 31 6.706 -19.041 12.957 245 HG3 LYS 31 3HG LYS 31 5.500 -20.228 13.460 246 HD2 LYS 31 2HD LYS 31 7.098 -18.518 15.363 247 HD3 LYS 31 3HD LYS 31 5.476 -18.118 14.791 248 HE2 LYS 31 2HE LYS 31 4.568 -20.089 15.812 249 HE3 LYS 31 3HE LYS 31 6.178 -20.676 16.224 250 HZ1 LYS 31 1HZ LYS 31 4.531 -19.143 17.801 251 HZ2 LYS 31 2HZ LYS 31 5.732 -18.074 17.278 252 HZ3 LYS 31 3HZ LYS 31 6.160 -19.498 18.087 253 H GLN 32 H GLN 32 6.602 -20.200 10.890 254 HA GLN 32 HA GLN 32 4.297 -21.902 10.871 255 HB2 GLN 32 2HB GLN 32 4.384 -19.380 10.401 256 HB3 GLN 32 3HB GLN 32 4.949 -19.822 8.795 257 HG2 GLN 32 2HG GLN 32 2.562 -19.412 8.792 258 HG3 GLN 32 3HG GLN 32 2.909 -21.100 8.419 259 HE21 GLN 32 1HE2 GLN 32 1.878 -22.604 9.537 260 HE22 GLN 32 2HE2 GLN 32 0.994 -22.345 10.999 261 H TYR 33 H TYR 33 7.140 -21.481 8.855 262 HA TYR 33 HA TYR 33 6.288 -23.000 6.644 263 HB2 TYR 33 2HB TYR 33 8.249 -21.508 6.589 264 HB3 TYR 33 3HB TYR 33 9.101 -22.591 7.684 265 HD1 TYR 33 HD1 TYR 33 9.882 -24.784 6.905 266 HD2 TYR 33 HD2 TYR 33 7.998 -22.040 4.255 267 HE1 TYR 33 HE1 TYR 33 10.728 -26.068 4.985 268 HE2 TYR 33 HE2 TYR 33 8.838 -23.316 2.327 269 HH TYR 33 HH TYR 33 9.729 -26.234 2.300 270 H ALA 34 H ALA 34 8.051 -23.904 9.583 271 HA ALA 34 HA ALA 34 8.380 -26.636 8.856 272 HB1 ALA 34 1HB ALA 34 8.463 -26.467 11.649 273 HB2 ALA 34 2HB ALA 34 9.827 -26.460 10.530 274 HB3 ALA 34 3HB ALA 34 9.108 -24.937 11.054 275 H ASN 35 H ASN 35 6.153 -24.988 11.096 276 HA ASN 35 HA ASN 35 4.726 -27.199 11.963 277 HB2 ASN 35 2HB ASN 35 4.584 -24.696 12.675 278 HB3 ASN 35 3HB ASN 35 3.340 -24.589 11.433 279 HD21 ASN 35 1HD2 ASN 35 3.456 -24.556 14.501 280 HD22 ASN 35 2HD2 ASN 35 2.167 -25.613 14.955 281 H ASP 36 H ASP 36 4.350 -25.295 9.025 282 HA ASP 36 HA ASP 36 1.911 -26.338 8.139 283 HB2 ASP 36 2HB ASP 36 3.181 -24.369 7.175 284 HB3 ASP 36 3HB ASP 36 4.205 -25.538 6.345 285 H ASN 37 H ASN 37 5.097 -27.702 8.165 286 HA ASN 37 HA ASN 37 4.252 -29.906 6.427 287 HB2 ASN 37 2HB ASN 37 6.952 -29.011 7.433 288 HB3 ASN 37 3HB ASN 37 6.714 -30.563 6.636 289 HD21 ASN 37 1HD2 ASN 37 6.706 -27.109 6.254 290 HD22 ASN 37 2HD2 ASN 37 6.734 -27.098 4.526 291 H GLY 38 H GLY 38 3.440 -29.421 9.300 292 HA2 GLY 38 2HA GLY 38 3.024 -30.696 11.162 293 HA3 GLY 38 3HA GLY 38 3.354 -32.089 10.143 294 H ILE 39 H ILE 39 5.582 -29.490 11.026 295 HA ILE 39 HA ILE 39 7.346 -31.522 12.202 296 HB ILE 39 HB ILE 39 8.008 -28.731 11.255 297 HG12 ILE 39 2HG1 ILE 39 8.804 -31.379 10.035 298 HG13 ILE 39 3HG1 ILE 39 7.421 -30.439 9.486 299 HG21 ILE 39 1HG2 ILE 39 10.376 -30.006 11.426 300 HG22 ILE 39 2HG2 ILE 39 9.704 -29.007 12.713 301 HG23 ILE 39 3HG2 ILE 39 9.514 -30.759 12.768 302 HD11 ILE 39 1HD1 ILE 39 8.931 -29.641 8.024 303 HD12 ILE 39 2HD1 ILE 39 9.322 -28.557 9.359 304 HD13 ILE 39 3HD1 ILE 39 10.301 -29.996 9.076 305 H ASP 40 H ASP 40 7.731 -31.550 14.318 306 HA ASP 40 HA ASP 40 7.606 -29.136 15.906 307 HB2 ASP 40 2HB ASP 40 5.685 -31.423 16.389 308 HB3 ASP 40 3HB ASP 40 5.976 -30.109 17.526 309 H GLY 41 H GLY 41 9.078 -29.206 17.491 310 HA2 GLY 41 2HA GLY 41 9.718 -31.489 19.017 311 HA3 GLY 41 3HA GLY 41 10.898 -31.319 17.726 312 H GLU 42 H GLU 42 12.598 -30.897 19.139 313 HA GLU 42 HA GLU 42 12.460 -28.809 21.089 314 HB2 GLU 42 2HB GLU 42 14.580 -30.629 20.049 315 HB3 GLU 42 3HB GLU 42 15.083 -29.175 20.900 316 HG2 GLU 42 2HG GLU 42 14.155 -29.862 22.900 317 HG3 GLU 42 3HG GLU 42 13.054 -30.994 22.117 318 H TRP 43 H TRP 43 12.100 -26.805 20.321 319 HA TRP 43 HA TRP 43 13.481 -25.866 17.943 320 HB2 TRP 43 2HB TRP 43 11.261 -24.831 19.659 321 HB3 TRP 43 3HB TRP 43 12.161 -23.695 18.657 322 HD1 TRP 43 HD1 TRP 43 9.869 -26.772 18.350 323 HE1 TRP 43 HE1 TRP 43 8.851 -26.789 15.986 324 HE3 TRP 43 HE3 TRP 43 12.479 -22.876 16.313 325 HZ2 TRP 43 HZ2 TRP 43 9.120 -25.344 13.576 326 HZ3 TRP 43 HZ3 TRP 43 12.040 -22.258 13.972 327 HH2 TRP 43 HH2 TRP 43 10.395 -23.467 12.634 328 H THR 44 H THR 44 15.446 -25.030 18.080 329 HA THR 44 HA THR 44 16.216 -23.631 20.558 330 HB THR 44 HB THR 44 18.485 -24.268 20.208 331 HG1 THR 44 HG1 THR 44 19.099 -24.418 18.191 332 HG21 THR 44 1HG2 THR 44 16.457 -26.144 20.590 333 HG22 THR 44 2HG2 THR 44 18.167 -26.339 20.978 334 HG23 THR 44 3HG2 THR 44 17.547 -26.888 19.421 335 H TYR 45 H TYR 45 17.766 -21.856 20.295 336 HA TYR 45 HA TYR 45 17.862 -20.615 17.662 337 HB2 TYR 45 2HB TYR 45 16.978 -18.478 18.481 338 HB3 TYR 45 3HB TYR 45 15.778 -19.758 18.628 339 HD1 TYR 45 HD1 TYR 45 18.031 -17.519 20.468 340 HD2 TYR 45 HD2 TYR 45 15.043 -20.530 20.798 341 HE1 TYR 45 HE1 TYR 45 17.759 -16.981 22.852 342 HE2 TYR 45 HE2 TYR 45 14.762 -19.999 23.183 343 HH TYR 45 HH TYR 45 16.808 -17.589 24.781 344 H ASP 46 H ASP 46 19.670 -19.430 17.339 345 HA ASP 46 HA ASP 46 21.444 -19.043 19.661 346 HB2 ASP 46 2HB ASP 46 21.929 -20.144 16.970 347 HB3 ASP 46 3HB ASP 46 23.139 -18.990 17.526 348 H ASP 47 H ASP 47 22.178 -17.047 20.067 349 HA ASP 47 HA ASP 47 21.252 -14.881 18.358 350 HB2 ASP 47 2HB ASP 47 20.895 -14.715 20.783 351 HB3 ASP 47 3HB ASP 47 22.634 -14.808 21.050 352 H ALA 48 H ALA 48 24.197 -16.500 19.240 353 HA ALA 48 HA ALA 48 25.986 -14.474 18.323 354 HB1 ALA 48 1HB ALA 48 27.228 -15.789 19.642 355 HB2 ALA 48 2HB ALA 48 26.196 -17.195 19.379 356 HB3 ALA 48 3HB ALA 48 27.437 -16.779 18.197 357 H THR 49 H THR 49 25.015 -17.621 16.950 358 HA THR 49 HA THR 49 26.203 -16.943 14.398 359 HB THR 49 HB THR 49 25.662 -19.151 13.689 360 HG1 THR 49 HG1 THR 49 24.225 -19.763 16.021 361 HG21 THR 49 1HG2 THR 49 26.265 -19.448 16.626 362 HG22 THR 49 2HG2 THR 49 27.453 -18.869 15.458 363 HG23 THR 49 3HG2 THR 49 26.777 -20.490 15.300 364 H LYS 50 H LYS 50 23.191 -16.555 15.918 365 HA LYS 50 HA LYS 50 21.156 -15.819 15.216 366 HB2 LYS 50 2HB LYS 50 22.960 -14.849 13.020 367 HB3 LYS 50 3HB LYS 50 21.222 -14.600 12.918 368 HG2 LYS 50 2HG LYS 50 22.967 -13.661 15.185 369 HG3 LYS 50 3HG LYS 50 22.423 -12.660 13.837 370 HD2 LYS 50 2HD LYS 50 20.050 -13.427 14.558 371 HD3 LYS 50 3HD LYS 50 20.834 -13.841 16.085 372 HE2 LYS 50 2HE LYS 50 20.071 -11.663 16.421 373 HE3 LYS 50 3HE LYS 50 21.775 -11.455 16.019 374 HZ1 LYS 50 1HZ LYS 50 21.052 -10.024 14.495 375 HZ2 LYS 50 2HZ LYS 50 19.448 -10.547 14.614 376 HZ3 LYS 50 3HZ LYS 50 20.532 -11.366 13.606 377 H THR 51 H THR 51 21.509 -18.497 14.873 378 HA THR 51 HA THR 51 19.982 -18.998 12.410 379 HB THR 51 HB THR 51 22.216 -20.744 13.463 380 HG1 THR 51 HG1 THR 51 23.271 -19.335 12.246 381 HG21 THR 51 1HG2 THR 51 20.181 -21.143 11.288 382 HG22 THR 51 2HG2 THR 51 20.626 -22.237 12.598 383 HG23 THR 51 3HG2 THR 51 21.739 -21.968 11.258 384 H PHE 52 H PHE 52 18.369 -20.528 12.555 385 HA PHE 52 HA PHE 52 17.746 -21.430 15.283 386 HB2 PHE 52 2HB PHE 52 15.983 -20.900 12.890 387 HB3 PHE 52 3HB PHE 52 15.406 -21.717 14.339 388 HD1 PHE 52 HD1 PHE 52 15.104 -20.514 16.412 389 HD2 PHE 52 HD2 PHE 52 16.506 -18.541 12.911 390 HE1 PHE 52 HE1 PHE 52 14.636 -18.336 17.456 391 HE2 PHE 52 HE2 PHE 52 16.041 -16.360 13.950 392 HZ PHE 52 HZ PHE 52 15.105 -16.255 16.225 393 H THR 53 H THR 53 17.513 -23.546 15.749 394 HA THR 53 HA THR 53 17.514 -25.478 13.535 395 HB THR 53 HB THR 53 19.282 -25.654 15.984 396 HG1 THR 53 HG1 THR 53 20.956 -25.489 14.414 397 HG21 THR 53 1HG2 THR 53 18.998 -27.870 15.633 398 HG22 THR 53 2HG2 THR 53 20.136 -27.605 14.312 399 HG23 THR 53 3HG2 THR 53 18.403 -27.638 13.990 400 H VAL 54 H VAL 54 16.067 -27.067 13.763 401 HA VAL 54 HA VAL 54 14.809 -27.414 16.407 402 HB VAL 54 HB VAL 54 13.530 -27.988 13.734 403 HG11 VAL 54 1HG1 VAL 54 11.486 -27.668 15.409 404 HG12 VAL 54 2HG1 VAL 54 12.280 -29.227 15.174 405 HG13 VAL 54 3HG1 VAL 54 12.692 -28.227 16.567 406 HG21 VAL 54 1HG2 VAL 54 13.295 -25.558 15.503 407 HG22 VAL 54 2HG2 VAL 54 13.921 -25.620 13.855 408 HG23 VAL 54 3HG2 VAL 54 12.211 -25.923 14.160 409 H THR 55 H THR 55 15.516 -29.220 17.332 410 HA THR 55 HA THR 55 16.395 -31.475 15.733 411 HB THR 55 HB THR 55 16.232 -31.453 18.737 412 HG1 THR 55 HG1 THR 55 17.479 -29.719 18.542 413 HG21 THR 55 1HG2 THR 55 17.978 -32.842 16.707 414 HG22 THR 55 2HG2 THR 55 16.819 -33.575 17.816 415 HG23 THR 55 3HG2 THR 55 18.302 -32.854 18.440 416 H GLU 56 H GLU 56 14.690 -32.540 14.858 417 HA GLU 56 HA GLU 56 12.269 -33.034 16.316 418 HB2 GLU 56 2HB GLU 56 13.318 -33.836 13.624 419 HB3 GLU 56 3HB GLU 56 11.884 -34.614 14.276 420 HG2 GLU 56 2HG GLU 56 10.992 -32.233 14.615 421 HG3 GLU 56 3HG GLU 56 12.283 -31.748 13.517 Start of MODEL 2 1 H1 MET 1 H MET 1 16.824 -8.584 8.012 2 HA MET 1 HA MET 1 19.702 -9.013 7.902 3 HB2 MET 1 2HB MET 1 18.027 -9.413 10.373 4 HB3 MET 1 3HB MET 1 19.549 -10.259 10.129 5 HG2 MET 1 2HG MET 1 20.785 -8.256 10.166 6 HG3 MET 1 3HG MET 1 19.334 -7.270 10.007 7 HE1 MET 1 1HE MET 1 19.070 -5.833 12.907 8 HE2 MET 1 2HE MET 1 20.785 -6.172 13.143 9 HE3 MET 1 3HE MET 1 20.166 -5.840 11.525 10 H THR 2 H THR 2 20.182 -10.928 7.022 11 HA THR 2 HA THR 2 18.044 -12.679 6.221 12 HB THR 2 HB THR 2 21.002 -13.170 5.867 13 HG1 THR 2 HG1 THR 2 20.504 -12.163 3.731 14 HG21 THR 2 1HG2 THR 2 20.163 -15.082 5.023 15 HG22 THR 2 2HG2 THR 2 19.701 -14.085 3.644 16 HG23 THR 2 3HG2 THR 2 18.529 -14.427 4.915 17 H PHE 3 H PHE 3 17.408 -14.515 7.161 18 HA PHE 3 HA PHE 3 19.111 -15.649 9.281 19 HB2 PHE 3 2HB PHE 3 16.225 -14.955 9.270 20 HB3 PHE 3 3HB PHE 3 16.669 -16.460 10.066 21 HD1 PHE 3 HD1 PHE 3 18.305 -16.408 11.952 22 HD2 PHE 3 HD2 PHE 3 16.637 -12.869 10.277 23 HE1 PHE 3 HE1 PHE 3 18.960 -15.152 13.963 24 HE2 PHE 3 HE2 PHE 3 17.290 -11.607 12.284 25 HZ PHE 3 HZ PHE 3 18.454 -12.748 14.130 26 H LYS 4 H LYS 4 19.031 -17.921 9.569 27 HA LYS 4 HA LYS 4 18.002 -19.385 7.226 28 HB2 LYS 4 2HB LYS 4 20.597 -19.122 7.710 29 HB3 LYS 4 3HB LYS 4 20.289 -20.454 8.816 30 HG2 LYS 4 2HG LYS 4 19.237 -21.659 6.854 31 HG3 LYS 4 3HG LYS 4 19.932 -20.395 5.837 32 HD2 LYS 4 2HD LYS 4 21.816 -21.588 7.739 33 HD3 LYS 4 3HD LYS 4 21.189 -22.715 6.534 34 HE2 LYS 4 2HE LYS 4 21.983 -21.387 4.744 35 HE3 LYS 4 3HE LYS 4 22.305 -20.018 5.807 36 HZ1 LYS 4 1HZ LYS 4 23.704 -22.544 6.314 37 HZ2 LYS 4 2HZ LYS 4 24.215 -20.957 6.594 38 HZ3 LYS 4 3HZ LYS 4 24.223 -21.582 5.021 39 H LEU 5 H LEU 5 17.149 -21.464 7.567 40 HA LEU 5 HA LEU 5 16.457 -22.051 10.371 41 HB2 LEU 5 2HB LEU 5 14.532 -21.306 9.063 42 HB3 LEU 5 3HB LEU 5 14.837 -22.580 7.885 43 HG LEU 5 HG LEU 5 14.258 -24.275 9.504 44 HD11 LEU 5 1HD1 LEU 5 13.769 -22.023 11.446 45 HD12 LEU 5 2HD1 LEU 5 15.150 -23.119 11.490 46 HD13 LEU 5 3HD1 LEU 5 13.522 -23.744 11.739 47 HD21 LEU 5 1HD2 LEU 5 12.451 -23.239 8.206 48 HD22 LEU 5 2HD2 LEU 5 12.213 -22.057 9.494 49 HD23 LEU 5 3HD2 LEU 5 11.900 -23.766 9.796 50 H ILE 6 H ILE 6 16.817 -24.064 11.129 51 HA ILE 6 HA ILE 6 17.792 -26.078 9.207 52 HB ILE 6 HB ILE 6 18.801 -25.437 11.972 53 HG12 ILE 6 2HG1 ILE 6 19.760 -24.215 10.030 54 HG13 ILE 6 3HG1 ILE 6 20.945 -25.219 10.861 55 HG21 ILE 6 1HG2 ILE 6 18.604 -27.787 12.015 56 HG22 ILE 6 2HG2 ILE 6 19.175 -27.942 10.354 57 HG23 ILE 6 3HG2 ILE 6 20.292 -27.453 11.628 58 HD11 ILE 6 1HD1 ILE 6 21.432 -26.213 8.952 59 HD12 ILE 6 2HD1 ILE 6 19.764 -26.767 8.801 60 HD13 ILE 6 3HD1 ILE 6 20.239 -25.210 8.124 61 H ILE 7 H ILE 7 16.146 -27.470 8.994 62 HA ILE 7 HA ILE 7 14.639 -28.289 11.370 63 HB ILE 7 HB ILE 7 14.069 -28.979 8.488 64 HG12 ILE 7 2HG1 ILE 7 12.831 -26.805 10.191 65 HG13 ILE 7 3HG1 ILE 7 14.002 -26.529 8.905 66 HG21 ILE 7 1HG2 ILE 7 12.547 -30.349 9.338 67 HG22 ILE 7 2HG2 ILE 7 12.977 -29.859 10.976 68 HG23 ILE 7 3HG2 ILE 7 11.748 -28.965 10.082 69 HD11 ILE 7 1HD1 ILE 7 11.307 -27.801 8.508 70 HD12 ILE 7 2HD1 ILE 7 11.669 -26.097 8.233 71 HD13 ILE 7 3HD1 ILE 7 12.459 -27.334 7.257 72 H ASN 8 H ASN 8 16.131 -29.677 12.339 73 HA ASN 8 HA ASN 8 17.390 -31.809 10.918 74 HB2 ASN 8 2HB ASN 8 18.237 -30.733 13.051 75 HB3 ASN 8 3HB ASN 8 16.983 -31.627 13.906 76 HD21 ASN 8 1HD2 ASN 8 19.771 -31.859 14.327 77 HD22 ASN 8 2HD2 ASN 8 20.230 -33.476 13.927 78 H GLY 9 H GLY 9 15.473 -32.699 9.875 79 HA2 GLY 9 2HA GLY 9 13.762 -34.278 11.678 80 HA3 GLY 9 3HA GLY 9 13.360 -33.836 10.025 81 H LYS 10 H LYS 10 14.393 -36.304 11.986 82 HA LYS 10 HA LYS 10 16.249 -37.691 10.420 83 HB2 LYS 10 2HB LYS 10 14.122 -38.932 12.172 84 HB3 LYS 10 3HB LYS 10 15.661 -39.645 11.708 85 HG2 LYS 10 2HG LYS 10 16.609 -37.479 12.893 86 HG3 LYS 10 3HG LYS 10 15.063 -37.568 13.740 87 HD2 LYS 10 2HD LYS 10 16.940 -39.911 13.497 88 HD3 LYS 10 3HD LYS 10 17.001 -38.765 14.838 89 HE2 LYS 10 2HE LYS 10 14.726 -39.311 15.454 90 HE3 LYS 10 3HE LYS 10 14.570 -40.369 14.053 91 HZ1 LYS 10 1HZ LYS 10 16.709 -40.873 16.002 92 HZ2 LYS 10 2HZ LYS 10 15.899 -41.964 14.995 93 HZ3 LYS 10 3HZ LYS 10 15.130 -41.352 16.372 94 H THR 11 H THR 11 12.777 -37.419 10.178 95 HA THR 11 HA THR 11 12.681 -39.465 8.089 96 HB THR 11 HB THR 11 10.932 -39.464 9.863 97 HG1 THR 11 HG1 THR 11 10.089 -40.443 8.158 98 HG21 THR 11 1HG2 THR 11 9.825 -37.009 8.519 99 HG22 THR 11 2HG2 THR 11 10.841 -36.916 9.957 100 HG23 THR 11 3HG2 THR 11 9.298 -37.768 10.020 101 H LEU 12 H LEU 12 12.484 -36.017 8.548 102 HA LEU 12 HA LEU 12 12.681 -35.608 5.692 103 HB2 LEU 12 2HB LEU 12 10.192 -35.726 6.441 104 HB3 LEU 12 3HB LEU 12 10.498 -34.115 7.089 105 HG LEU 12 HG LEU 12 11.056 -34.765 4.212 106 HD11 LEU 12 1HD1 LEU 12 8.432 -34.186 5.522 107 HD12 LEU 12 2HD1 LEU 12 8.820 -35.349 4.255 108 HD13 LEU 12 3HD1 LEU 12 8.753 -33.628 3.879 109 HD21 LEU 12 1HD2 LEU 12 11.810 -32.674 4.304 110 HD22 LEU 12 2HD2 LEU 12 11.153 -32.432 5.923 111 HD23 LEU 12 3HD2 LEU 12 10.132 -32.170 4.510 112 H LYS 13 H LYS 13 14.466 -34.397 5.695 113 HA LYS 13 HA LYS 13 14.732 -32.249 7.677 114 HB2 LYS 13 2HB LYS 13 16.546 -34.074 7.163 115 HB3 LYS 13 3HB LYS 13 16.919 -33.041 5.790 116 HG2 LYS 13 2HG LYS 13 16.951 -31.177 7.667 117 HG3 LYS 13 3HG LYS 13 17.322 -32.569 8.689 118 HD2 LYS 13 2HD LYS 13 18.814 -32.026 6.137 119 HD3 LYS 13 3HD LYS 13 19.290 -31.293 7.670 120 HE2 LYS 13 2HE LYS 13 19.929 -33.303 8.586 121 HE3 LYS 13 3HE LYS 13 18.850 -34.238 7.554 122 HZ1 LYS 13 1HZ LYS 13 21.432 -34.187 7.155 123 HZ2 LYS 13 2HZ LYS 13 21.048 -32.793 6.277 124 HZ3 LYS 13 3HZ LYS 13 20.345 -34.274 5.861 125 H GLY 14 H GLY 14 15.433 -30.142 7.006 126 HA2 GLY 14 2HA GLY 14 15.611 -29.365 4.288 127 HA3 GLY 14 3HA GLY 14 13.987 -29.060 4.886 128 H GLU 15 H GLU 15 15.483 -26.967 4.005 129 HA GLU 15 HA GLU 15 15.763 -25.415 6.448 130 HB2 GLU 15 2HB GLU 15 17.951 -24.489 5.755 131 HB3 GLU 15 3HB GLU 15 18.028 -26.207 6.125 132 HG2 GLU 15 2HG GLU 15 17.950 -26.717 3.731 133 HG3 GLU 15 3HG GLU 15 17.907 -24.992 3.373 134 H THR 16 H THR 16 15.771 -23.114 6.072 135 HA THR 16 HA THR 16 15.320 -22.091 3.424 136 HB THR 16 HB THR 16 13.099 -22.962 3.786 137 HG1 THR 16 HG1 THR 16 12.690 -21.108 2.818 138 HG21 THR 16 1HG2 THR 16 12.914 -21.290 6.286 139 HG22 THR 16 2HG2 THR 16 13.308 -23.010 6.303 140 HG23 THR 16 3HG2 THR 16 11.750 -22.466 5.680 141 H THR 17 H THR 17 15.130 -19.773 3.376 142 HA THR 17 HA THR 17 15.923 -18.467 5.895 143 HB THR 17 HB THR 17 17.373 -16.948 4.610 144 HG1 THR 17 HG1 THR 17 16.594 -18.620 2.441 145 HG21 THR 17 1HG2 THR 17 18.964 -18.397 5.188 146 HG22 THR 17 2HG2 THR 17 18.729 -19.217 3.644 147 HG23 THR 17 3HG2 THR 17 17.834 -19.745 5.068 148 H THR 18 H THR 18 15.311 -16.262 6.129 149 HA THR 18 HA THR 18 13.493 -15.120 4.170 150 HB THR 18 HB THR 18 11.904 -16.382 5.437 151 HG1 THR 18 HG1 THR 18 11.246 -14.245 5.011 152 HG21 THR 18 1HG2 THR 18 13.333 -15.269 7.842 153 HG22 THR 18 2HG2 THR 18 13.064 -16.958 7.413 154 HG23 THR 18 3HG2 THR 18 11.712 -15.956 7.939 155 H GLU 19 H GLU 19 13.532 -12.934 4.164 156 HA GLU 19 HA GLU 19 15.456 -11.630 5.874 157 HB2 GLU 19 2HB GLU 19 13.771 -10.733 3.549 158 HB3 GLU 19 3HB GLU 19 14.685 -9.580 4.511 159 HG2 GLU 19 2HG GLU 19 16.743 -10.862 4.000 160 HG3 GLU 19 3HG GLU 19 15.790 -11.891 2.933 161 H ALA 20 H ALA 20 14.992 -10.756 7.770 162 HA ALA 20 HA ALA 20 12.331 -9.583 8.188 163 HB1 ALA 20 1HB ALA 20 13.509 -10.896 10.542 164 HB2 ALA 20 2HB ALA 20 11.833 -10.827 9.997 165 HB3 ALA 20 3HB ALA 20 12.951 -11.979 9.266 166 H VAL 21 H VAL 21 12.400 -8.402 10.460 167 HA VAL 21 HA VAL 21 14.742 -6.638 10.346 168 HB VAL 21 HB VAL 21 13.344 -5.074 11.707 169 HG11 VAL 21 1HG1 VAL 21 11.948 -5.878 9.168 170 HG12 VAL 21 2HG1 VAL 21 12.093 -4.267 9.869 171 HG13 VAL 21 3HG1 VAL 21 13.511 -5.062 9.184 172 HG21 VAL 21 1HG2 VAL 21 10.797 -6.233 11.070 173 HG22 VAL 21 2HG2 VAL 21 11.744 -7.355 12.047 174 HG23 VAL 21 3HG2 VAL 21 11.432 -5.722 12.635 175 H ASP 22 H ASP 22 13.087 -8.901 12.378 176 HA ASP 22 HA ASP 22 15.193 -8.594 14.388 177 HB2 ASP 22 2HB ASP 22 12.232 -8.650 15.003 178 HB3 ASP 22 3HB ASP 22 13.504 -8.819 16.211 179 H ALA 23 H ALA 23 15.503 -10.470 15.717 180 HA ALA 23 HA ALA 23 15.487 -12.881 14.360 181 HB1 ALA 23 1HB ALA 23 16.901 -13.184 16.059 182 HB2 ALA 23 2HB ALA 23 16.076 -11.995 17.070 183 HB3 ALA 23 3HB ALA 23 15.484 -13.656 16.999 184 H ALA 24 H ALA 24 13.024 -11.457 16.396 185 HA ALA 24 HA ALA 24 11.451 -13.861 16.577 186 HB1 ALA 24 1HB ALA 24 10.684 -11.016 17.221 187 HB2 ALA 24 2HB ALA 24 9.803 -12.470 17.691 188 HB3 ALA 24 3HB ALA 24 11.409 -12.161 18.349 189 H THR 25 H THR 25 11.575 -11.033 14.521 190 HA THR 25 HA THR 25 9.054 -11.249 13.308 191 HB THR 25 HB THR 25 11.596 -10.221 12.032 192 HG1 THR 25 HG1 THR 25 9.632 -8.652 13.340 193 HG21 THR 25 1HG2 THR 25 9.808 -10.553 10.420 194 HG22 THR 25 2HG2 THR 25 10.047 -8.830 10.707 195 HG23 THR 25 3HG2 THR 25 8.685 -9.666 11.451 196 H ALA 26 H ALA 26 12.177 -12.689 12.463 197 HA ALA 26 HA ALA 26 11.178 -13.980 10.107 198 HB1 ALA 26 1HB ALA 26 13.323 -14.774 9.787 199 HB2 ALA 26 2HB ALA 26 13.612 -13.289 10.696 200 HB3 ALA 26 3HB ALA 26 13.666 -14.850 11.514 201 H GLU 27 H GLU 27 11.751 -14.928 13.456 202 HA GLU 27 HA GLU 27 11.416 -17.685 13.200 203 HB2 GLU 27 2HB GLU 27 12.243 -16.694 15.252 204 HB3 GLU 27 3HB GLU 27 10.717 -15.861 15.506 205 HG2 GLU 27 2HG GLU 27 10.669 -18.818 15.277 206 HG3 GLU 27 3HG GLU 27 11.311 -18.106 16.755 207 H LYS 28 H LYS 28 9.057 -15.098 13.419 208 HA LYS 28 HA LYS 28 6.761 -16.588 13.954 209 HB2 LYS 28 2HB LYS 28 7.063 -14.036 13.832 210 HB3 LYS 28 3HB LYS 28 6.787 -14.212 12.104 211 HG2 LYS 28 2HG LYS 28 4.582 -14.810 12.378 212 HG3 LYS 28 3HG LYS 28 4.832 -15.379 14.030 213 HD2 LYS 28 2HD LYS 28 4.981 -13.152 14.859 214 HD3 LYS 28 3HD LYS 28 5.057 -12.485 13.227 215 HE2 LYS 28 2HE LYS 28 2.694 -14.004 14.316 216 HE3 LYS 28 3HE LYS 28 2.835 -12.248 14.361 217 HZ1 LYS 28 1HZ LYS 28 1.857 -13.793 12.292 218 HZ2 LYS 28 2HZ LYS 28 3.349 -13.212 11.751 219 HZ3 LYS 28 3HZ LYS 28 2.160 -12.128 12.269 220 H VAL 29 H VAL 29 8.419 -15.948 10.909 221 HA VAL 29 HA VAL 29 6.405 -17.370 9.376 222 HB VAL 29 HB VAL 29 9.060 -16.262 8.452 223 HG11 VAL 29 1HG1 VAL 29 8.086 -16.402 6.218 224 HG12 VAL 29 2HG1 VAL 29 8.141 -17.990 6.985 225 HG13 VAL 29 3HG1 VAL 29 6.618 -17.106 6.895 226 HG21 VAL 29 1HG2 VAL 29 6.490 -14.983 9.029 227 HG22 VAL 29 2HG2 VAL 29 8.097 -14.276 8.858 228 HG23 VAL 29 3HG2 VAL 29 7.131 -14.628 7.424 229 H LEU 30 H LEU 30 9.781 -17.811 10.357 230 HA LEU 30 HA LEU 30 10.325 -20.167 8.982 231 HB2 LEU 30 2HB LEU 30 11.332 -19.158 11.631 232 HB3 LEU 30 3HB LEU 30 11.975 -20.592 10.835 233 HG LEU 30 HG LEU 30 12.095 -17.760 9.804 234 HD11 LEU 30 1HD1 LEU 30 13.677 -18.035 11.545 235 HD12 LEU 30 2HD1 LEU 30 14.564 -18.187 10.029 236 HD13 LEU 30 3HD1 LEU 30 14.150 -19.628 10.958 237 HD21 LEU 30 1HD2 LEU 30 12.392 -20.340 8.473 238 HD22 LEU 30 2HD2 LEU 30 13.795 -19.287 8.284 239 HD23 LEU 30 3HD2 LEU 30 12.197 -18.725 7.790 240 H LYS 31 H LYS 31 8.946 -19.714 12.220 241 HA LYS 31 HA LYS 31 8.741 -22.428 12.903 242 HB2 LYS 31 2HB LYS 31 7.287 -21.735 14.660 243 HB3 LYS 31 3HB LYS 31 8.481 -20.462 14.455 244 HG2 LYS 31 2HG LYS 31 6.825 -19.206 13.097 245 HG3 LYS 31 3HG LYS 31 5.633 -20.447 13.485 246 HD2 LYS 31 2HD LYS 31 7.125 -18.812 15.535 247 HD3 LYS 31 3HD LYS 31 5.505 -18.435 14.944 248 HE2 LYS 31 2HE LYS 31 5.030 -20.925 15.645 249 HE3 LYS 31 3HE LYS 31 6.425 -20.668 16.690 250 HZ1 LYS 31 1HZ LYS 31 3.878 -20.013 17.303 251 HZ2 LYS 31 2HZ LYS 31 4.503 -18.530 16.784 252 HZ3 LYS 31 3HZ LYS 31 5.253 -19.367 18.049 253 H GLN 32 H GLN 32 6.816 -20.422 10.833 254 HA GLN 32 HA GLN 32 4.546 -22.198 10.803 255 HB2 GLN 32 2HB GLN 32 5.300 -19.698 9.333 256 HB3 GLN 32 3HB GLN 32 3.965 -20.687 8.757 257 HG2 GLN 32 2HG GLN 32 4.147 -19.618 11.559 258 HG3 GLN 32 3HG GLN 32 3.331 -18.778 10.242 259 HE21 GLN 32 1HE2 GLN 32 2.822 -20.682 12.820 260 HE22 GLN 32 2HE2 GLN 32 1.356 -21.463 12.343 261 H TYR 33 H TYR 33 7.346 -21.544 8.771 262 HA TYR 33 HA TYR 33 6.623 -23.000 6.509 263 HB2 TYR 33 2HB TYR 33 8.616 -21.493 6.725 264 HB3 TYR 33 3HB TYR 33 9.416 -22.764 7.644 265 HD1 TYR 33 HD1 TYR 33 9.810 -25.001 6.503 266 HD2 TYR 33 HD2 TYR 33 8.663 -21.499 4.378 267 HE1 TYR 33 HE1 TYR 33 10.617 -26.013 4.412 268 HE2 TYR 33 HE2 TYR 33 9.466 -22.501 2.280 269 HH TYR 33 HH TYR 33 11.015 -24.221 1.538 270 H ALA 34 H ALA 34 8.179 -24.061 9.504 271 HA ALA 34 HA ALA 34 8.466 -26.779 8.609 272 HB1 ALA 34 1HB ALA 34 8.684 -26.739 11.394 273 HB2 ALA 34 2HB ALA 34 9.997 -26.712 10.216 274 HB3 ALA 34 3HB ALA 34 9.346 -25.199 10.847 275 H ASN 35 H ASN 35 6.325 -25.055 10.857 276 HA ASN 35 HA ASN 35 4.873 -27.213 11.823 277 HB2 ASN 35 2HB ASN 35 4.748 -24.800 12.590 278 HB3 ASN 35 3HB ASN 35 3.687 -24.503 11.217 279 HD21 ASN 35 1HD2 ASN 35 1.682 -25.671 11.120 280 HD22 ASN 35 2HD2 ASN 35 0.915 -26.180 12.582 281 H ASP 36 H ASP 36 4.494 -25.401 8.827 282 HA ASP 36 HA ASP 36 2.029 -26.437 8.005 283 HB2 ASP 36 2HB ASP 36 3.098 -24.523 6.908 284 HB3 ASP 36 3HB ASP 36 4.378 -25.573 6.305 285 H ASN 37 H ASN 37 5.194 -27.845 8.040 286 HA ASN 37 HA ASN 37 4.313 -30.081 6.366 287 HB2 ASN 37 2HB ASN 37 7.032 -29.263 7.398 288 HB3 ASN 37 3HB ASN 37 6.741 -30.781 6.553 289 HD21 ASN 37 1HD2 ASN 37 6.887 -27.324 6.275 290 HD22 ASN 37 2HD2 ASN 37 6.919 -27.260 4.547 291 H GLY 38 H GLY 38 3.490 -29.507 9.219 292 HA2 GLY 38 2HA GLY 38 3.036 -30.726 11.109 293 HA3 GLY 38 3HA GLY 38 3.346 -32.151 10.129 294 H ILE 39 H ILE 39 5.615 -29.571 10.971 295 HA ILE 39 HA ILE 39 7.339 -31.608 12.195 296 HB ILE 39 HB ILE 39 8.070 -28.827 11.268 297 HG12 ILE 39 2HG1 ILE 39 8.609 -31.505 9.965 298 HG13 ILE 39 3HG1 ILE 39 7.420 -30.332 9.412 299 HG21 ILE 39 1HG2 ILE 39 9.518 -29.606 13.043 300 HG22 ILE 39 2HG2 ILE 39 9.772 -31.133 12.201 301 HG23 ILE 39 3HG2 ILE 39 10.388 -29.634 11.509 302 HD11 ILE 39 1HD1 ILE 39 10.284 -30.436 8.969 303 HD12 ILE 39 2HD1 ILE 39 9.027 -29.574 8.083 304 HD13 ILE 39 3HD1 ILE 39 9.733 -28.859 9.532 305 H ASP 40 H ASP 40 7.805 -31.576 14.303 306 HA ASP 40 HA ASP 40 7.657 -29.153 15.860 307 HB2 ASP 40 2HB ASP 40 6.045 -30.231 17.519 308 HB3 ASP 40 3HB ASP 40 5.346 -29.641 16.014 309 H GLY 41 H GLY 41 9.147 -29.212 17.425 310 HA2 GLY 41 2HA GLY 41 9.766 -31.524 18.954 311 HA3 GLY 41 3HA GLY 41 10.974 -31.285 17.698 312 H GLU 42 H GLU 42 12.647 -30.820 19.105 313 HA GLU 42 HA GLU 42 12.357 -28.699 21.051 314 HB2 GLU 42 2HB GLU 42 13.721 -30.582 21.676 315 HB3 GLU 42 3HB GLU 42 14.711 -30.403 20.233 316 HG2 GLU 42 2HG GLU 42 15.766 -28.491 21.048 317 HG3 GLU 42 3HG GLU 42 14.531 -28.222 22.276 318 H TRP 43 H TRP 43 11.982 -26.836 19.869 319 HA TRP 43 HA TRP 43 13.683 -26.051 17.698 320 HB2 TRP 43 2HB TRP 43 11.427 -24.767 19.198 321 HB3 TRP 43 3HB TRP 43 12.439 -23.789 18.138 322 HD1 TRP 43 HD1 TRP 43 10.134 -26.892 17.960 323 HE1 TRP 43 HE1 TRP 43 9.160 -27.026 15.582 324 HE3 TRP 43 HE3 TRP 43 12.691 -23.019 15.818 325 HZ2 TRP 43 HZ2 TRP 43 9.439 -25.669 13.122 326 HZ3 TRP 43 HZ3 TRP 43 12.280 -22.502 13.447 327 HH2 TRP 43 HH2 TRP 43 10.688 -23.802 12.129 328 H THR 44 H THR 44 15.652 -25.238 17.906 329 HA THR 44 HA THR 44 16.343 -23.827 20.397 330 HB THR 44 HB THR 44 18.447 -24.907 18.567 331 HG1 THR 44 HG1 THR 44 17.144 -26.706 18.869 332 HG21 THR 44 1HG2 THR 44 19.070 -25.399 21.231 333 HG22 THR 44 2HG2 THR 44 18.255 -23.836 21.255 334 HG23 THR 44 3HG2 THR 44 19.676 -24.075 20.236 335 H TYR 45 H TYR 45 18.006 -22.118 20.167 336 HA TYR 45 HA TYR 45 18.212 -20.874 17.549 337 HB2 TYR 45 2HB TYR 45 17.264 -18.763 18.213 338 HB3 TYR 45 3HB TYR 45 16.078 -20.022 18.538 339 HD1 TYR 45 HD1 TYR 45 17.985 -17.324 19.921 340 HD2 TYR 45 HD2 TYR 45 15.864 -20.872 20.930 341 HE1 TYR 45 HE1 TYR 45 17.817 -16.554 22.252 342 HE2 TYR 45 HE2 TYR 45 15.690 -20.112 23.262 343 HH TYR 45 HH TYR 45 17.521 -17.625 24.525 344 H ASP 46 H ASP 46 19.908 -19.399 17.378 345 HA ASP 46 HA ASP 46 21.645 -19.179 19.747 346 HB2 ASP 46 2HB ASP 46 22.475 -20.817 18.022 347 HB3 ASP 46 3HB ASP 46 22.620 -19.465 16.902 348 H ASP 47 H ASP 47 22.470 -17.208 20.192 349 HA ASP 47 HA ASP 47 21.511 -14.980 18.583 350 HB2 ASP 47 2HB ASP 47 21.334 -15.075 21.121 351 HB3 ASP 47 3HB ASP 47 23.076 -14.817 21.158 352 H ALA 48 H ALA 48 24.444 -16.683 19.265 353 HA ALA 48 HA ALA 48 26.210 -14.608 18.348 354 HB1 ALA 48 1HB ALA 48 27.962 -16.081 18.786 355 HB2 ALA 48 2HB ALA 48 26.748 -16.500 19.993 356 HB3 ALA 48 3HB ALA 48 26.947 -17.505 18.558 357 H THR 49 H THR 49 25.126 -17.734 17.032 358 HA THR 49 HA THR 49 26.314 -17.131 14.456 359 HB THR 49 HB THR 49 25.553 -19.342 13.770 360 HG1 THR 49 HG1 THR 49 23.578 -19.432 14.896 361 HG21 THR 49 1HG2 THR 49 26.927 -19.111 16.429 362 HG22 THR 49 2HG2 THR 49 27.620 -19.483 14.851 363 HG23 THR 49 3HG2 THR 49 26.638 -20.685 15.689 364 H LYS 50 H LYS 50 23.315 -16.706 16.017 365 HA LYS 50 HA LYS 50 21.284 -15.944 15.334 366 HB2 LYS 50 2HB LYS 50 23.084 -14.969 13.139 367 HB3 LYS 50 3HB LYS 50 21.347 -14.704 13.048 368 HG2 LYS 50 2HG LYS 50 23.026 -13.845 15.389 369 HG3 LYS 50 3HG LYS 50 22.686 -12.811 13.999 370 HD2 LYS 50 2HD LYS 50 20.425 -12.663 14.505 371 HD3 LYS 50 3HD LYS 50 20.446 -14.132 15.483 372 HE2 LYS 50 2HE LYS 50 20.318 -12.495 17.101 373 HE3 LYS 50 3HE LYS 50 22.057 -12.765 17.004 374 HZ1 LYS 50 1HZ LYS 50 21.188 -10.785 15.146 375 HZ2 LYS 50 2HZ LYS 50 22.382 -10.686 16.339 376 HZ3 LYS 50 3HZ LYS 50 20.767 -10.368 16.731 377 H THR 51 H THR 51 21.726 -18.645 14.902 378 HA THR 51 HA THR 51 20.149 -19.100 12.457 379 HB THR 51 HB THR 51 22.368 -20.868 13.507 380 HG1 THR 51 HG1 THR 51 23.439 -20.239 11.651 381 HG21 THR 51 1HG2 THR 51 21.765 -21.891 11.095 382 HG22 THR 51 2HG2 THR 51 20.165 -21.330 11.585 383 HG23 THR 51 3HG2 THR 51 21.046 -22.475 12.596 384 H PHE 52 H PHE 52 18.529 -20.632 12.580 385 HA PHE 52 HA PHE 52 17.860 -21.516 15.300 386 HB2 PHE 52 2HB PHE 52 16.173 -20.975 12.863 387 HB3 PHE 52 3HB PHE 52 15.548 -21.869 14.246 388 HD1 PHE 52 HD1 PHE 52 16.669 -18.610 13.024 389 HD2 PHE 52 HD2 PHE 52 15.100 -20.766 16.342 390 HE1 PHE 52 HE1 PHE 52 16.109 -16.487 14.136 391 HE2 PHE 52 HE2 PHE 52 14.538 -18.646 17.459 392 HZ PHE 52 HZ PHE 52 15.042 -16.504 16.355 393 H THR 53 H THR 53 17.722 -23.620 15.800 394 HA THR 53 HA THR 53 17.662 -25.600 13.637 395 HB THR 53 HB THR 53 19.546 -25.845 15.985 396 HG1 THR 53 HG1 THR 53 19.856 -24.653 13.477 397 HG21 THR 53 1HG2 THR 53 18.581 -27.689 14.048 398 HG22 THR 53 2HG2 THR 53 19.795 -27.951 15.302 399 HG23 THR 53 3HG2 THR 53 20.284 -27.382 13.707 400 H VAL 54 H VAL 54 16.026 -26.940 13.976 401 HA VAL 54 HA VAL 54 15.143 -27.424 16.744 402 HB VAL 54 HB VAL 54 13.412 -26.375 15.422 403 HG11 VAL 54 1HG1 VAL 54 13.179 -26.749 13.248 404 HG12 VAL 54 2HG1 VAL 54 14.463 -27.957 13.334 405 HG13 VAL 54 3HG1 VAL 54 12.781 -28.439 13.555 406 HG21 VAL 54 1HG2 VAL 54 12.720 -28.050 17.056 407 HG22 VAL 54 2HG2 VAL 54 11.633 -28.040 15.668 408 HG23 VAL 54 3HG2 VAL 54 12.844 -29.311 15.828 409 H THR 55 H THR 55 15.483 -29.378 17.554 410 HA THR 55 HA THR 55 16.277 -31.549 15.774 411 HB THR 55 HB THR 55 16.195 -31.824 18.756 412 HG1 THR 55 HG1 THR 55 18.378 -30.903 18.701 413 HG21 THR 55 1HG2 THR 55 18.312 -33.104 18.245 414 HG22 THR 55 2HG2 THR 55 17.932 -32.891 16.535 415 HG23 THR 55 3HG2 THR 55 16.831 -33.792 17.578 416 H GLU 56 H GLU 56 14.740 -32.837 15.014 417 HA GLU 56 HA GLU 56 12.213 -33.128 16.394 418 HB2 GLU 56 2HB GLU 56 13.297 -34.032 13.749 419 HB3 GLU 56 3HB GLU 56 11.828 -34.755 14.388 420 HG2 GLU 56 2HG GLU 56 10.850 -33.093 13.239 421 HG3 GLU 56 3HG GLU 56 11.214 -32.167 14.694 Start of MODEL 3 1 H1 MET 1 H MET 1 17.062 -8.190 8.101 2 HA MET 1 HA MET 1 19.739 -9.143 7.579 3 HB2 MET 1 2HB MET 1 18.595 -8.582 9.874 4 HB3 MET 1 3HB MET 1 18.005 -10.234 9.761 5 HG2 MET 1 2HG MET 1 19.917 -10.598 10.919 6 HG3 MET 1 3HG MET 1 20.544 -10.740 9.278 7 HE1 MET 1 1HE MET 1 22.601 -10.222 9.023 8 HE2 MET 1 2HE MET 1 22.443 -8.640 8.260 9 HE3 MET 1 3HE MET 1 23.546 -8.857 9.620 10 H THR 2 H THR 2 20.350 -11.266 7.174 11 HA THR 2 HA THR 2 18.250 -12.917 5.966 12 HB THR 2 HB THR 2 21.206 -13.437 5.738 13 HG1 THR 2 HG1 THR 2 19.687 -11.852 3.928 14 HG21 THR 2 1HG2 THR 2 19.372 -13.908 3.486 15 HG22 THR 2 2HG2 THR 2 19.066 -14.896 4.915 16 HG23 THR 2 3HG2 THR 2 20.651 -14.931 4.142 17 H PHE 3 H PHE 3 17.405 -14.425 7.240 18 HA PHE 3 HA PHE 3 19.129 -15.718 9.242 19 HB2 PHE 3 2HB PHE 3 16.251 -14.987 9.184 20 HB3 PHE 3 3HB PHE 3 16.671 -16.490 10.000 21 HD1 PHE 3 HD1 PHE 3 16.486 -12.948 10.266 22 HD2 PHE 3 HD2 PHE 3 18.465 -16.382 11.815 23 HE1 PHE 3 HE1 PHE 3 17.123 -11.672 12.270 24 HE2 PHE 3 HE2 PHE 3 19.105 -15.112 13.823 25 HZ PHE 3 HZ PHE 3 18.433 -12.754 14.053 26 H LYS 4 H LYS 4 19.108 -17.970 9.473 27 HA LYS 4 HA LYS 4 18.022 -19.431 7.154 28 HB2 LYS 4 2HB LYS 4 20.647 -19.155 7.681 29 HB3 LYS 4 3HB LYS 4 20.310 -20.583 8.651 30 HG2 LYS 4 2HG LYS 4 19.179 -21.465 6.484 31 HG3 LYS 4 3HG LYS 4 20.157 -20.226 5.692 32 HD2 LYS 4 2HD LYS 4 21.477 -22.052 7.640 33 HD3 LYS 4 3HD LYS 4 21.067 -22.678 6.041 34 HE2 LYS 4 2HE LYS 4 22.403 -21.037 4.964 35 HE3 LYS 4 3HE LYS 4 22.609 -20.127 6.460 36 HZ1 LYS 4 1HZ LYS 4 23.513 -22.842 6.663 37 HZ2 LYS 4 2HZ LYS 4 24.307 -21.406 7.074 38 HZ3 LYS 4 3HZ LYS 4 24.345 -21.965 5.478 39 H LEU 5 H LEU 5 17.020 -21.392 7.504 40 HA LEU 5 HA LEU 5 16.434 -22.023 10.319 41 HB2 LEU 5 2HB LEU 5 14.500 -21.290 9.005 42 HB3 LEU 5 3HB LEU 5 14.793 -22.594 7.854 43 HG LEU 5 HG LEU 5 14.211 -24.248 9.502 44 HD11 LEU 5 1HD1 LEU 5 13.176 -23.093 11.693 45 HD12 LEU 5 2HD1 LEU 5 14.486 -21.965 11.349 46 HD13 LEU 5 3HD1 LEU 5 14.837 -23.676 11.592 47 HD21 LEU 5 1HD2 LEU 5 12.427 -22.198 8.594 48 HD22 LEU 5 2HD2 LEU 5 11.903 -22.792 10.169 49 HD23 LEU 5 3HD2 LEU 5 12.123 -23.919 8.831 50 H ILE 6 H ILE 6 16.825 -24.025 11.087 51 HA ILE 6 HA ILE 6 17.774 -26.053 9.170 52 HB ILE 6 HB ILE 6 18.832 -25.380 11.907 53 HG12 ILE 6 2HG1 ILE 6 19.747 -24.169 9.938 54 HG13 ILE 6 3HG1 ILE 6 20.954 -25.160 10.750 55 HG21 ILE 6 1HG2 ILE 6 18.977 -27.935 10.384 56 HG22 ILE 6 2HG2 ILE 6 20.377 -27.420 11.325 57 HG23 ILE 6 3HG2 ILE 6 18.822 -27.664 12.120 58 HD11 ILE 6 1HD1 ILE 6 19.741 -26.732 8.729 59 HD12 ILE 6 2HD1 ILE 6 20.197 -25.179 8.031 60 HD13 ILE 6 3HD1 ILE 6 21.407 -26.170 8.844 61 H ILE 7 H ILE 7 16.133 -27.459 9.004 62 HA ILE 7 HA ILE 7 14.684 -28.261 11.421 63 HB ILE 7 HB ILE 7 14.050 -28.933 8.547 64 HG12 ILE 7 2HG1 ILE 7 12.835 -26.820 10.340 65 HG13 ILE 7 3HG1 ILE 7 13.923 -26.504 8.993 66 HG21 ILE 7 1HG2 ILE 7 13.075 -29.951 11.008 67 HG22 ILE 7 2HG2 ILE 7 11.791 -29.001 10.261 68 HG23 ILE 7 3HG2 ILE 7 12.538 -30.329 9.372 69 HD11 ILE 7 1HD1 ILE 7 11.224 -27.808 8.753 70 HD12 ILE 7 2HD1 ILE 7 11.567 -26.106 8.439 71 HD13 ILE 7 3HD1 ILE 7 12.300 -27.355 7.432 72 H ASN 8 H ASN 8 16.202 -29.640 12.360 73 HA ASN 8 HA ASN 8 17.437 -31.773 10.925 74 HB2 ASN 8 2HB ASN 8 18.377 -30.737 12.999 75 HB3 ASN 8 3HB ASN 8 17.082 -31.500 13.917 76 HD21 ASN 8 1HD2 ASN 8 19.732 -31.964 14.484 77 HD22 ASN 8 2HD2 ASN 8 20.122 -33.600 14.093 78 H GLY 9 H GLY 9 15.532 -32.695 9.913 79 HA2 GLY 9 2HA GLY 9 13.771 -34.196 11.722 80 HA3 GLY 9 3HA GLY 9 13.469 -33.884 10.018 81 H LYS 10 H LYS 10 14.023 -36.296 12.054 82 HA LYS 10 HA LYS 10 16.112 -37.775 10.843 83 HB2 LYS 10 2HB LYS 10 13.766 -38.631 12.541 84 HB3 LYS 10 3HB LYS 10 15.037 -39.730 12.022 85 HG2 LYS 10 2HG LYS 10 16.581 -37.884 13.114 86 HG3 LYS 10 3HG LYS 10 15.111 -37.551 14.033 87 HD2 LYS 10 2HD LYS 10 16.134 -39.129 15.366 88 HD3 LYS 10 3HD LYS 10 15.084 -40.143 14.372 89 HE2 LYS 10 2HE LYS 10 17.233 -41.178 14.448 90 HE3 LYS 10 3HE LYS 10 17.025 -40.498 12.835 91 HZ1 LYS 10 1HZ LYS 10 18.448 -39.055 14.992 92 HZ2 LYS 10 2HZ LYS 10 18.467 -38.732 13.333 93 HZ3 LYS 10 3HZ LYS 10 19.240 -40.111 13.935 94 H THR 11 H THR 11 12.702 -37.439 10.166 95 HA THR 11 HA THR 11 12.782 -39.587 8.191 96 HB THR 11 HB THR 11 10.342 -39.028 7.886 97 HG1 THR 11 HG1 THR 11 10.589 -37.545 10.286 98 HG21 THR 11 1HG2 THR 11 11.357 -39.803 10.620 99 HG22 THR 11 2HG2 THR 11 10.924 -40.878 9.290 100 HG23 THR 11 3HG2 THR 11 9.672 -39.954 10.121 101 H LEU 12 H LEU 12 12.593 -36.096 8.405 102 HA LEU 12 HA LEU 12 13.297 -35.871 5.609 103 HB2 LEU 12 2HB LEU 12 10.792 -35.984 5.686 104 HB3 LEU 12 3HB LEU 12 10.818 -34.488 6.616 105 HG LEU 12 HG LEU 12 12.134 -34.569 3.935 106 HD11 LEU 12 1HD1 LEU 12 9.185 -34.497 4.477 107 HD12 LEU 12 2HD1 LEU 12 10.072 -35.480 3.314 108 HD13 LEU 12 3HD1 LEU 12 9.888 -33.747 3.045 109 HD21 LEU 12 1HD2 LEU 12 12.473 -32.583 5.203 110 HD22 LEU 12 2HD2 LEU 12 10.761 -32.475 5.610 111 HD23 LEU 12 3HD2 LEU 12 11.293 -32.207 3.949 112 H LYS 13 H LYS 13 14.887 -34.443 5.551 113 HA LYS 13 HA LYS 13 14.962 -32.319 7.580 114 HB2 LYS 13 2HB LYS 13 16.885 -34.069 7.154 115 HB3 LYS 13 3HB LYS 13 17.300 -32.981 5.836 116 HG2 LYS 13 2HG LYS 13 17.294 -31.127 7.581 117 HG3 LYS 13 3HG LYS 13 17.279 -32.422 8.783 118 HD2 LYS 13 2HD LYS 13 19.543 -31.980 8.540 119 HD3 LYS 13 3HD LYS 13 19.301 -33.346 7.449 120 HE2 LYS 13 2HE LYS 13 20.498 -31.941 6.094 121 HE3 LYS 13 3HE LYS 13 18.855 -31.447 5.690 122 HZ1 LYS 13 1HZ LYS 13 19.267 -29.778 7.644 123 HZ2 LYS 13 2HZ LYS 13 19.817 -29.434 6.081 124 HZ3 LYS 13 3HZ LYS 13 20.892 -30.027 7.245 125 H GLY 14 H GLY 14 15.507 -30.175 6.974 126 HA2 GLY 14 2HA GLY 14 15.793 -29.418 4.229 127 HA3 GLY 14 3HA GLY 14 14.166 -29.114 4.821 128 H GLU 15 H GLU 15 15.227 -26.919 4.047 129 HA GLU 15 HA GLU 15 15.676 -25.418 6.458 130 HB2 GLU 15 2HB GLU 15 17.812 -24.443 5.800 131 HB3 GLU 15 3HB GLU 15 17.957 -26.186 5.981 132 HG2 GLU 15 2HG GLU 15 17.649 -26.342 3.480 133 HG3 GLU 15 3HG GLU 15 17.855 -24.591 3.440 134 H THR 16 H THR 16 15.672 -23.092 6.076 135 HA THR 16 HA THR 16 15.061 -22.080 3.464 136 HB THR 16 HB THR 16 12.877 -23.002 3.925 137 HG1 THR 16 HG1 THR 16 12.026 -21.215 3.187 138 HG21 THR 16 1HG2 THR 16 11.589 -22.462 5.880 139 HG22 THR 16 2HG2 THR 16 12.834 -21.350 6.451 140 HG23 THR 16 3HG2 THR 16 13.153 -23.084 6.408 141 H THR 17 H THR 17 14.862 -19.773 3.418 142 HA THR 17 HA THR 17 15.742 -18.455 5.904 143 HB THR 17 HB THR 17 17.162 -16.972 4.653 144 HG1 THR 17 HG1 THR 17 17.233 -16.975 2.441 145 HG21 THR 17 1HG2 THR 17 17.838 -19.599 3.405 146 HG22 THR 17 2HG2 THR 17 17.835 -19.460 5.163 147 HG23 THR 17 3HG2 THR 17 18.889 -18.428 4.198 148 H THR 18 H THR 18 15.210 -16.168 6.055 149 HA THR 18 HA THR 18 13.241 -15.071 4.258 150 HB THR 18 HB THR 18 11.728 -16.413 5.545 151 HG1 THR 18 HG1 THR 18 11.372 -13.985 5.231 152 HG21 THR 18 1HG2 THR 18 12.824 -15.129 8.047 153 HG22 THR 18 2HG2 THR 18 13.279 -16.737 7.485 154 HG23 THR 18 3HG2 THR 18 11.609 -16.403 7.939 155 H GLU 19 H GLU 19 13.456 -12.925 4.193 156 HA GLU 19 HA GLU 19 15.355 -11.611 5.855 157 HB2 GLU 19 2HB GLU 19 13.471 -10.728 3.696 158 HB3 GLU 19 3HB GLU 19 14.316 -9.529 4.668 159 HG2 GLU 19 2HG GLU 19 16.453 -10.434 3.981 160 HG3 GLU 19 3HG GLU 19 15.643 -11.705 3.067 161 H ALA 20 H ALA 20 15.058 -10.800 7.812 162 HA ALA 20 HA ALA 20 12.434 -9.705 8.531 163 HB1 ALA 20 1HB ALA 20 12.035 -11.128 10.206 164 HB2 ALA 20 2HB ALA 20 13.226 -12.170 9.426 165 HB3 ALA 20 3HB ALA 20 13.713 -11.105 10.746 166 H VAL 21 H VAL 21 12.681 -8.668 10.855 167 HA VAL 21 HA VAL 21 15.092 -6.985 10.733 168 HB VAL 21 HB VAL 21 13.762 -5.373 12.124 169 HG11 VAL 21 1HG1 VAL 21 13.963 -4.849 9.843 170 HG12 VAL 21 2HG1 VAL 21 12.865 -6.145 9.362 171 HG13 VAL 21 3HG1 VAL 21 12.240 -4.718 10.190 172 HG21 VAL 21 1HG2 VAL 21 11.428 -7.123 11.367 173 HG22 VAL 21 2HG2 VAL 21 12.151 -7.069 12.975 174 HG23 VAL 21 3HG2 VAL 21 11.381 -5.630 12.305 175 H ASP 22 H ASP 22 13.247 -9.140 12.730 176 HA ASP 22 HA ASP 22 15.343 -8.987 14.771 177 HB2 ASP 22 2HB ASP 22 12.375 -8.761 15.243 178 HB3 ASP 22 3HB ASP 22 13.481 -9.288 16.509 179 H ALA 23 H ALA 23 15.298 -10.883 16.250 180 HA ALA 23 HA ALA 23 15.336 -13.284 14.821 181 HB1 ALA 23 1HB ALA 23 16.639 -13.539 16.640 182 HB2 ALA 23 2HB ALA 23 15.630 -12.493 17.642 183 HB3 ALA 23 3HB ALA 23 15.158 -14.170 17.361 184 H ALA 24 H ALA 24 12.770 -11.706 16.564 185 HA ALA 24 HA ALA 24 11.073 -14.036 16.653 186 HB1 ALA 24 1HB ALA 24 10.541 -12.689 18.413 187 HB2 ALA 24 2HB ALA 24 10.846 -11.203 17.512 188 HB3 ALA 24 3HB ALA 24 9.359 -12.110 17.238 189 H THR 25 H THR 25 11.337 -11.101 14.705 190 HA THR 25 HA THR 25 8.996 -11.273 13.235 191 HB THR 25 HB THR 25 11.657 -10.397 12.102 192 HG1 THR 25 HG1 THR 25 9.817 -8.658 13.353 193 HG21 THR 25 1HG2 THR 25 10.137 -10.372 10.344 194 HG22 THR 25 2HG2 THR 25 10.022 -8.728 10.972 195 HG23 THR 25 3HG2 THR 25 8.789 -9.919 11.384 196 H ALA 26 H ALA 26 12.153 -12.748 12.530 197 HA ALA 26 HA ALA 26 11.242 -14.062 10.164 198 HB1 ALA 26 1HB ALA 26 13.567 -15.288 11.377 199 HB2 ALA 26 2HB ALA 26 13.410 -14.447 9.833 200 HB3 ALA 26 3HB ALA 26 13.711 -13.532 11.311 201 H GLU 27 H GLU 27 11.889 -15.131 13.490 202 HA GLU 27 HA GLU 27 11.399 -17.838 13.199 203 HB2 GLU 27 2HB GLU 27 12.257 -16.770 15.261 204 HB3 GLU 27 3HB GLU 27 10.656 -16.116 15.570 205 HG2 GLU 27 2HG GLU 27 10.970 -18.048 16.932 206 HG3 GLU 27 3HG GLU 27 9.781 -18.425 15.688 207 H LYS 28 H LYS 28 9.151 -15.176 13.322 208 HA LYS 28 HA LYS 28 6.792 -16.568 13.911 209 HB2 LYS 28 2HB LYS 28 6.853 -14.153 13.956 210 HB3 LYS 28 3HB LYS 28 7.240 -14.089 12.242 211 HG2 LYS 28 2HG LYS 28 5.089 -14.682 11.604 212 HG3 LYS 28 3HG LYS 28 4.702 -15.362 13.186 213 HD2 LYS 28 2HD LYS 28 4.888 -13.032 14.116 214 HD3 LYS 28 3HD LYS 28 4.997 -12.453 12.453 215 HE2 LYS 28 2HE LYS 28 2.814 -13.046 11.966 216 HE3 LYS 28 3HE LYS 28 2.741 -14.236 13.264 217 HZ1 LYS 28 1HZ LYS 28 1.433 -12.378 13.900 218 HZ2 LYS 28 2HZ LYS 28 2.669 -11.284 13.534 219 HZ3 LYS 28 3HZ LYS 28 2.834 -12.338 14.847 220 H VAL 29 H VAL 29 8.477 -16.034 10.858 221 HA VAL 29 HA VAL 29 6.415 -17.380 9.332 222 HB VAL 29 HB VAL 29 9.138 -16.409 8.453 223 HG11 VAL 29 1HG1 VAL 29 7.510 -16.448 6.249 224 HG12 VAL 29 2HG1 VAL 29 8.704 -17.680 6.662 225 HG13 VAL 29 3HG1 VAL 29 7.015 -17.903 7.115 226 HG21 VAL 29 1HG2 VAL 29 7.521 -14.666 9.306 227 HG22 VAL 29 2HG2 VAL 29 8.079 -14.446 7.647 228 HG23 VAL 29 3HG2 VAL 29 6.471 -15.101 7.957 229 H LEU 30 H LEU 30 9.694 -18.025 10.471 230 HA LEU 30 HA LEU 30 10.088 -20.457 9.116 231 HB2 LEU 30 2HB LEU 30 11.221 -19.563 11.762 232 HB3 LEU 30 3HB LEU 30 11.837 -20.885 10.774 233 HG LEU 30 HG LEU 30 11.869 -17.951 10.071 234 HD11 LEU 30 1HD1 LEU 30 14.370 -18.427 10.089 235 HD12 LEU 30 2HD1 LEU 30 13.969 -19.901 10.968 236 HD13 LEU 30 3HD1 LEU 30 13.559 -18.328 11.652 237 HD21 LEU 30 1HD2 LEU 30 13.513 -19.463 8.356 238 HD22 LEU 30 2HD2 LEU 30 12.053 -18.562 7.947 239 HD23 LEU 30 3HD2 LEU 30 11.943 -20.266 8.394 240 H LYS 31 H LYS 31 8.984 -19.822 12.441 241 HA LYS 31 HA LYS 31 8.601 -22.435 13.269 242 HB2 LYS 31 2HB LYS 31 7.188 -21.572 14.980 243 HB3 LYS 31 3HB LYS 31 8.411 -20.346 14.669 244 HG2 LYS 31 2HG LYS 31 6.735 -19.208 13.178 245 HG3 LYS 31 3HG LYS 31 5.533 -20.339 13.804 246 HD2 LYS 31 2HD LYS 31 6.243 -19.551 16.124 247 HD3 LYS 31 3HD LYS 31 7.075 -18.231 15.295 248 HE2 LYS 31 2HE LYS 31 4.981 -17.515 14.293 249 HE3 LYS 31 3HE LYS 31 4.138 -18.872 15.036 250 HZ1 LYS 31 1HZ LYS 31 5.581 -16.867 16.660 251 HZ2 LYS 31 2HZ LYS 31 4.386 -17.956 17.152 252 HZ3 LYS 31 3HZ LYS 31 3.975 -16.633 16.184 253 H GLN 32 H GLN 32 6.685 -20.491 11.117 254 HA GLN 32 HA GLN 32 4.396 -22.248 11.200 255 HB2 GLN 32 2HB GLN 32 5.108 -19.907 9.431 256 HB3 GLN 32 3HB GLN 32 3.615 -20.821 9.272 257 HG2 GLN 32 2HG GLN 32 4.361 -19.617 11.898 258 HG3 GLN 32 3HG GLN 32 3.643 -18.622 10.634 259 HE21 GLN 32 1HE2 GLN 32 3.119 -21.063 12.992 260 HE22 GLN 32 2HE2 GLN 32 1.410 -21.200 12.793 261 H TYR 33 H TYR 33 7.095 -21.609 9.009 262 HA TYR 33 HA TYR 33 6.351 -23.125 6.829 263 HB2 TYR 33 2HB TYR 33 8.413 -21.668 7.081 264 HB3 TYR 33 3HB TYR 33 9.170 -23.026 7.906 265 HD1 TYR 33 HD1 TYR 33 9.468 -25.195 6.650 266 HD2 TYR 33 HD2 TYR 33 8.323 -21.577 4.727 267 HE1 TYR 33 HE1 TYR 33 10.153 -26.136 4.482 268 HE2 TYR 33 HE2 TYR 33 9.004 -22.508 2.554 269 HH TYR 33 HH TYR 33 10.960 -24.916 2.119 270 H ALA 34 H ALA 34 8.301 -24.225 9.606 271 HA ALA 34 HA ALA 34 8.411 -26.927 8.837 272 HB1 ALA 34 1HB ALA 34 10.000 -26.360 10.409 273 HB2 ALA 34 2HB ALA 34 8.849 -25.475 11.410 274 HB3 ALA 34 3HB ALA 34 8.823 -27.239 11.386 275 H ASN 35 H ASN 35 6.256 -25.252 11.122 276 HA ASN 35 HA ASN 35 4.772 -27.401 12.009 277 HB2 ASN 35 2HB ASN 35 4.442 -25.269 13.031 278 HB3 ASN 35 3HB ASN 35 3.957 -24.538 11.504 279 HD21 ASN 35 1HD2 ASN 35 1.988 -23.835 12.209 280 HD22 ASN 35 2HD2 ASN 35 0.686 -24.901 12.605 281 H ASP 36 H ASP 36 4.103 -25.339 9.185 282 HA ASP 36 HA ASP 36 1.793 -26.627 8.311 283 HB2 ASP 36 2HB ASP 36 2.587 -24.465 7.422 284 HB3 ASP 36 3HB ASP 36 3.915 -25.293 6.615 285 H ASN 37 H ASN 37 5.188 -27.350 7.665 286 HA ASN 37 HA ASN 37 4.658 -29.423 5.780 287 HB2 ASN 37 2HB ASN 37 7.093 -28.577 7.333 288 HB3 ASN 37 3HB ASN 37 7.105 -30.038 6.349 289 HD21 ASN 37 1HD2 ASN 37 5.651 -26.845 5.854 290 HD22 ASN 37 2HD2 ASN 37 6.444 -26.527 4.352 291 H GLY 38 H GLY 38 4.519 -29.235 9.182 292 HA2 GLY 38 2HA GLY 38 3.500 -30.962 10.469 293 HA3 GLY 38 3HA GLY 38 4.093 -32.138 9.306 294 H ILE 39 H ILE 39 6.203 -29.647 10.480 295 HA ILE 39 HA ILE 39 7.602 -31.660 12.118 296 HB ILE 39 HB ILE 39 8.813 -29.389 10.538 297 HG12 ILE 39 2HG1 ILE 39 10.002 -31.522 9.523 298 HG13 ILE 39 3HG1 ILE 39 8.545 -32.332 10.087 299 HG21 ILE 39 1HG2 ILE 39 10.895 -30.943 11.292 300 HG22 ILE 39 2HG2 ILE 39 10.370 -29.499 12.157 301 HG23 ILE 39 3HG2 ILE 39 9.844 -31.093 12.700 302 HD11 ILE 39 1HD1 ILE 39 8.950 -30.730 7.749 303 HD12 ILE 39 2HD1 ILE 39 7.562 -31.719 8.206 304 HD13 ILE 39 3HD1 ILE 39 7.667 -30.044 8.746 305 H ASP 40 H ASP 40 7.664 -31.217 14.211 306 HA ASP 40 HA ASP 40 8.150 -28.544 15.170 307 HB2 ASP 40 2HB ASP 40 6.074 -28.799 16.744 308 HB3 ASP 40 3HB ASP 40 5.865 -28.162 15.115 309 H GLY 41 H GLY 41 9.476 -28.696 16.855 310 HA2 GLY 41 2HA GLY 41 9.104 -30.667 18.916 311 HA3 GLY 41 3HA GLY 41 10.507 -30.990 17.907 312 H GLU 42 H GLU 42 12.218 -30.497 19.129 313 HA GLU 42 HA GLU 42 12.203 -28.360 21.030 314 HB2 GLU 42 2HB GLU 42 13.551 -30.497 21.202 315 HB3 GLU 42 3HB GLU 42 14.619 -29.828 19.976 316 HG2 GLU 42 2HG GLU 42 15.245 -28.023 21.411 317 HG3 GLU 42 3HG GLU 42 14.032 -28.488 22.604 318 H TRP 43 H TRP 43 11.975 -26.365 20.169 319 HA TRP 43 HA TRP 43 13.510 -25.590 17.827 320 HB2 TRP 43 2HB TRP 43 11.291 -24.369 19.414 321 HB3 TRP 43 3HB TRP 43 12.306 -23.316 18.433 322 HD1 TRP 43 HD1 TRP 43 9.800 -26.209 18.096 323 HE1 TRP 43 HE1 TRP 43 8.908 -26.234 15.682 324 HE3 TRP 43 HE3 TRP 43 12.840 -22.633 16.070 325 HZ2 TRP 43 HZ2 TRP 43 9.425 -24.914 13.241 326 HZ3 TRP 43 HZ3 TRP 43 12.577 -22.073 13.688 327 HH2 TRP 43 HH2 TRP 43 10.906 -23.192 12.305 328 H THR 44 H THR 44 15.456 -24.697 17.938 329 HA THR 44 HA THR 44 16.256 -23.381 20.452 330 HB THR 44 HB THR 44 18.507 -24.089 20.120 331 HG1 THR 44 HG1 THR 44 19.264 -24.718 18.219 332 HG21 THR 44 1HG2 THR 44 16.772 -25.791 20.929 333 HG22 THR 44 2HG2 THR 44 18.328 -26.418 20.382 334 HG23 THR 44 3HG2 THR 44 16.918 -26.514 19.327 335 H TYR 45 H TYR 45 17.914 -21.680 20.204 336 HA TYR 45 HA TYR 45 18.038 -20.406 17.588 337 HB2 TYR 45 2HB TYR 45 17.142 -18.314 18.291 338 HB3 TYR 45 3HB TYR 45 15.983 -19.544 18.784 339 HD1 TYR 45 HD1 TYR 45 18.133 -16.875 19.875 340 HD2 TYR 45 HD2 TYR 45 15.945 -20.276 21.199 341 HE1 TYR 45 HE1 TYR 45 18.232 -16.032 22.184 342 HE2 TYR 45 HE2 TYR 45 16.037 -19.441 23.511 343 HH TYR 45 HH TYR 45 16.675 -17.790 24.849 344 H ASP 46 H ASP 46 19.925 -19.376 17.253 345 HA ASP 46 HA ASP 46 21.739 -19.106 19.558 346 HB2 ASP 46 2HB ASP 46 22.136 -20.077 16.793 347 HB3 ASP 46 3HB ASP 46 23.420 -19.059 17.440 348 H ASP 47 H ASP 47 22.548 -17.158 20.033 349 HA ASP 47 HA ASP 47 21.706 -14.894 18.410 350 HB2 ASP 47 2HB ASP 47 21.388 -14.852 20.869 351 HB3 ASP 47 3HB ASP 47 23.135 -14.928 21.077 352 H ALA 48 H ALA 48 24.558 -16.708 19.144 353 HA ALA 48 HA ALA 48 26.388 -14.681 18.197 354 HB1 ALA 48 1HB ALA 48 27.048 -17.575 18.666 355 HB2 ALA 48 2HB ALA 48 28.119 -16.176 18.740 356 HB3 ALA 48 3HB ALA 48 26.895 -16.416 19.987 357 H THR 49 H THR 49 25.048 -17.734 17.010 358 HA THR 49 HA THR 49 26.421 -17.397 14.458 359 HB THR 49 HB THR 49 25.730 -19.608 13.904 360 HG1 THR 49 HG1 THR 49 23.626 -19.714 14.555 361 HG21 THR 49 1HG2 THR 49 27.479 -19.253 15.766 362 HG22 THR 49 2HG2 THR 49 26.803 -20.869 15.555 363 HG23 THR 49 3HG2 THR 49 26.220 -19.832 16.857 364 H LYS 50 H LYS 50 23.398 -16.746 15.895 365 HA LYS 50 HA LYS 50 21.426 -15.933 15.106 366 HB2 LYS 50 2HB LYS 50 23.338 -15.161 12.924 367 HB3 LYS 50 3HB LYS 50 21.620 -14.823 12.760 368 HG2 LYS 50 2HG LYS 50 23.267 -13.914 15.105 369 HG3 LYS 50 3HG LYS 50 23.013 -12.944 13.653 370 HD2 LYS 50 2HD LYS 50 20.756 -12.652 14.087 371 HD3 LYS 50 3HD LYS 50 20.666 -14.085 15.116 372 HE2 LYS 50 2HE LYS 50 20.508 -12.181 16.537 373 HE3 LYS 50 3HE LYS 50 22.112 -12.874 16.767 374 HZ1 LYS 50 1HZ LYS 50 21.773 -10.742 14.781 375 HZ2 LYS 50 2HZ LYS 50 23.119 -11.123 15.731 376 HZ3 LYS 50 3HZ LYS 50 21.799 -10.322 16.421 377 H THR 51 H THR 51 21.827 -18.688 14.798 378 HA THR 51 HA THR 51 20.238 -19.195 12.372 379 HB THR 51 HB THR 51 22.439 -20.962 13.459 380 HG1 THR 51 HG1 THR 51 22.207 -19.238 11.235 381 HG21 THR 51 1HG2 THR 51 20.320 -21.396 11.388 382 HG22 THR 51 2HG2 THR 51 20.900 -22.493 12.642 383 HG23 THR 51 3HG2 THR 51 21.890 -22.177 11.218 384 H PHE 52 H PHE 52 18.599 -20.700 12.548 385 HA PHE 52 HA PHE 52 17.970 -21.538 15.296 386 HB2 PHE 52 2HB PHE 52 16.173 -21.018 12.923 387 HB3 PHE 52 3HB PHE 52 15.611 -21.722 14.435 388 HD1 PHE 52 HD1 PHE 52 16.956 -18.692 12.851 389 HD2 PHE 52 HD2 PHE 52 15.274 -20.384 16.376 390 HE1 PHE 52 HE1 PHE 52 16.622 -16.435 13.770 391 HE2 PHE 52 HE2 PHE 52 14.936 -18.130 17.300 392 HZ PHE 52 HZ PHE 52 15.610 -16.151 15.997 393 H THR 53 H THR 53 17.709 -23.641 15.783 394 HA THR 53 HA THR 53 17.639 -25.585 13.576 395 HB THR 53 HB THR 53 19.350 -25.800 16.061 396 HG1 THR 53 HG1 THR 53 20.974 -25.254 14.782 397 HG21 THR 53 1HG2 THR 53 18.324 -27.804 14.219 398 HG22 THR 53 2HG2 THR 53 19.140 -28.010 15.768 399 HG23 THR 53 3HG2 THR 53 20.086 -27.798 14.295 400 H VAL 54 H VAL 54 16.133 -27.122 13.780 401 HA VAL 54 HA VAL 54 14.782 -27.384 16.387 402 HB VAL 54 HB VAL 54 13.588 -27.998 13.685 403 HG11 VAL 54 1HG1 VAL 54 11.689 -28.584 14.752 404 HG12 VAL 54 2HG1 VAL 54 12.790 -28.906 16.093 405 HG13 VAL 54 3HG1 VAL 54 11.906 -27.382 16.025 406 HG21 VAL 54 1HG2 VAL 54 14.037 -25.640 13.752 407 HG22 VAL 54 2HG2 VAL 54 12.309 -25.888 14.007 408 HG23 VAL 54 3HG2 VAL 54 13.356 -25.511 15.374 409 H THR 55 H THR 55 15.344 -29.196 17.389 410 HA THR 55 HA THR 55 16.213 -31.519 15.865 411 HB THR 55 HB THR 55 16.049 -31.345 18.868 412 HG1 THR 55 HG1 THR 55 18.113 -30.415 17.136 413 HG21 THR 55 1HG2 THR 55 16.489 -33.554 18.086 414 HG22 THR 55 2HG2 THR 55 18.026 -32.894 18.648 415 HG23 THR 55 3HG2 THR 55 17.678 -32.971 16.921 416 H GLU 56 H GLU 56 14.633 -32.781 15.108 417 HA GLU 56 HA GLU 56 12.133 -33.079 16.538 418 HB2 GLU 56 2HB GLU 56 13.174 -34.090 13.902 419 HB3 GLU 56 3HB GLU 56 11.665 -34.690 14.579 420 HG2 GLU 56 2HG GLU 56 10.911 -33.012 13.223 421 HG3 GLU 56 3HG GLU 56 11.065 -32.162 14.758 Start of MODEL 4 1 H1 MET 1 H MET 1 17.839 -8.300 7.329 2 HA MET 1 HA MET 1 20.498 -9.503 7.459 3 HB2 MET 1 2HB MET 1 18.622 -9.668 9.815 4 HB3 MET 1 3HB MET 1 20.297 -10.196 9.728 5 HG2 MET 1 2HG MET 1 20.740 -7.660 9.235 6 HG3 MET 1 3HG MET 1 19.183 -7.458 10.035 7 HE1 MET 1 1HE MET 1 19.757 -10.224 12.238 8 HE2 MET 1 2HE MET 1 19.782 -9.011 13.518 9 HE3 MET 1 3HE MET 1 18.649 -8.853 12.175 10 H THR 2 H THR 2 20.482 -11.536 6.739 11 HA THR 2 HA THR 2 17.913 -12.782 6.150 12 HB THR 2 HB THR 2 20.692 -13.689 5.375 13 HG1 THR 2 HG1 THR 2 20.215 -12.714 3.386 14 HG21 THR 2 1HG2 THR 2 17.939 -14.570 4.516 15 HG22 THR 2 2HG2 THR 2 19.191 -15.543 5.288 16 HG23 THR 2 3HG2 THR 2 19.412 -14.974 3.634 17 H PHE 3 H PHE 3 17.190 -14.663 7.024 18 HA PHE 3 HA PHE 3 18.810 -15.802 9.206 19 HB2 PHE 3 2HB PHE 3 15.938 -15.137 8.976 20 HB3 PHE 3 3HB PHE 3 16.300 -16.670 9.761 21 HD1 PHE 3 HD1 PHE 3 16.072 -13.147 10.158 22 HD2 PHE 3 HD2 PHE 3 17.974 -16.630 11.698 23 HE1 PHE 3 HE1 PHE 3 16.558 -11.951 12.252 24 HE2 PHE 3 HE2 PHE 3 18.462 -15.439 13.795 25 HZ PHE 3 HZ PHE 3 17.754 -13.098 14.075 26 H LYS 4 H LYS 4 18.595 -18.100 9.592 27 HA LYS 4 HA LYS 4 17.733 -19.640 7.240 28 HB2 LYS 4 2HB LYS 4 20.350 -19.186 7.711 29 HB3 LYS 4 3HB LYS 4 20.119 -20.623 8.698 30 HG2 LYS 4 2HG LYS 4 19.410 -21.897 6.814 31 HG3 LYS 4 3HG LYS 4 19.344 -20.456 5.795 32 HD2 LYS 4 2HD LYS 4 21.578 -20.438 5.451 33 HD3 LYS 4 3HD LYS 4 21.940 -20.990 7.089 34 HE2 LYS 4 2HE LYS 4 20.966 -23.247 6.278 35 HE3 LYS 4 3HE LYS 4 21.229 -22.596 4.662 36 HZ1 LYS 4 1HZ LYS 4 23.165 -23.471 6.649 37 HZ2 LYS 4 2HZ LYS 4 23.586 -22.096 5.761 38 HZ3 LYS 4 3HZ LYS 4 23.237 -23.544 4.960 39 H LEU 5 H LEU 5 16.804 -21.608 7.655 40 HA LEU 5 HA LEU 5 16.404 -22.264 10.499 41 HB2 LEU 5 2HB LEU 5 14.460 -21.578 8.864 42 HB3 LEU 5 3HB LEU 5 14.582 -23.263 8.363 43 HG LEU 5 HG LEU 5 14.137 -22.433 11.223 44 HD11 LEU 5 1HD1 LEU 5 11.950 -23.426 9.449 45 HD12 LEU 5 2HD1 LEU 5 12.354 -21.709 9.473 46 HD13 LEU 5 3HD1 LEU 5 11.850 -22.515 10.958 47 HD21 LEU 5 1HD2 LEU 5 14.525 -24.939 9.820 48 HD22 LEU 5 2HD2 LEU 5 13.010 -24.911 10.720 49 HD23 LEU 5 3HD2 LEU 5 14.536 -24.599 11.550 50 H ILE 6 H ILE 6 16.768 -24.314 11.209 51 HA ILE 6 HA ILE 6 17.764 -26.248 9.219 52 HB ILE 6 HB ILE 6 18.765 -25.674 12.000 53 HG12 ILE 6 2HG1 ILE 6 19.700 -24.381 10.094 54 HG13 ILE 6 3HG1 ILE 6 20.903 -25.387 10.893 55 HG21 ILE 6 1HG2 ILE 6 18.705 -27.991 12.072 56 HG22 ILE 6 2HG2 ILE 6 19.050 -28.154 10.351 57 HG23 ILE 6 3HG2 ILE 6 20.327 -27.665 11.464 58 HD11 ILE 6 1HD1 ILE 6 20.196 -25.314 8.159 59 HD12 ILE 6 2HD1 ILE 6 21.402 -26.322 8.958 60 HD13 ILE 6 3HD1 ILE 6 19.744 -26.897 8.792 61 H ILE 7 H ILE 7 16.135 -27.656 8.960 62 HA ILE 7 HA ILE 7 14.624 -28.565 11.291 63 HB ILE 7 HB ILE 7 14.149 -29.258 8.393 64 HG12 ILE 7 2HG1 ILE 7 12.823 -27.114 10.066 65 HG13 ILE 7 3HG1 ILE 7 14.004 -26.816 8.795 66 HG21 ILE 7 1HG2 ILE 7 12.313 -30.387 9.047 67 HG22 ILE 7 2HG2 ILE 7 13.177 -30.505 10.579 68 HG23 ILE 7 3HG2 ILE 7 11.953 -29.257 10.350 69 HD11 ILE 7 1HD1 ILE 7 11.790 -28.438 7.872 70 HD12 ILE 7 2HD1 ILE 7 11.269 -26.879 8.509 71 HD13 ILE 7 3HD1 ILE 7 12.458 -26.948 7.209 72 H ASN 8 H ASN 8 16.130 -29.911 12.291 73 HA ASN 8 HA ASN 8 17.479 -32.002 10.884 74 HB2 ASN 8 2HB ASN 8 18.260 -30.893 13.033 75 HB3 ASN 8 3HB ASN 8 17.033 -31.845 13.866 76 HD21 ASN 8 1HD2 ASN 8 19.800 -31.983 14.355 77 HD22 ASN 8 2HD2 ASN 8 20.338 -33.570 13.935 78 H GLY 9 H GLY 9 15.531 -32.883 9.830 79 HA2 GLY 9 2HA GLY 9 13.856 -34.518 11.607 80 HA3 GLY 9 3HA GLY 9 13.485 -34.109 9.939 81 H LYS 10 H LYS 10 14.404 -36.562 11.914 82 HA LYS 10 HA LYS 10 16.391 -37.925 10.493 83 HB2 LYS 10 2HB LYS 10 15.655 -39.916 11.684 84 HB3 LYS 10 3HB LYS 10 15.678 -38.533 12.769 85 HG2 LYS 10 2HG LYS 10 13.671 -39.379 13.360 86 HG3 LYS 10 3HG LYS 10 13.133 -38.396 11.995 87 HD2 LYS 10 2HD LYS 10 12.777 -40.213 10.652 88 HD3 LYS 10 3HD LYS 10 14.024 -41.179 11.446 89 HE2 LYS 10 2HE LYS 10 11.542 -40.420 12.931 90 HE3 LYS 10 3HE LYS 10 11.507 -41.761 11.787 91 HZ1 LYS 10 1HZ LYS 10 12.917 -43.009 13.065 92 HZ2 LYS 10 2HZ LYS 10 12.074 -42.177 14.272 93 HZ3 LYS 10 3HZ LYS 10 13.624 -41.671 13.821 94 H THR 11 H THR 11 12.991 -37.564 9.899 95 HA THR 11 HA THR 11 12.899 -39.723 7.965 96 HB THR 11 HB THR 11 10.560 -38.579 7.531 97 HG1 THR 11 HG1 THR 11 10.984 -36.737 8.825 98 HG21 THR 11 1HG2 THR 11 10.460 -39.759 10.190 99 HG22 THR 11 2HG2 THR 11 11.453 -40.692 9.070 100 HG23 THR 11 3HG2 THR 11 9.773 -40.335 8.673 101 H LEU 12 H LEU 12 12.733 -36.178 7.953 102 HA LEU 12 HA LEU 12 13.849 -36.121 5.286 103 HB2 LEU 12 2HB LEU 12 11.217 -36.275 5.275 104 HB3 LEU 12 3HB LEU 12 11.341 -34.553 5.626 105 HG LEU 12 HG LEU 12 11.010 -34.960 3.245 106 HD11 LEU 12 1HD1 LEU 12 13.807 -33.983 3.801 107 HD12 LEU 12 2HD1 LEU 12 12.343 -33.026 4.024 108 HD13 LEU 12 3HD1 LEU 12 12.795 -33.582 2.413 109 HD21 LEU 12 1HD2 LEU 12 12.242 -36.376 1.975 110 HD22 LEU 12 2HD2 LEU 12 12.463 -37.187 3.526 111 HD23 LEU 12 3HD2 LEU 12 13.715 -36.108 2.908 112 H LYS 13 H LYS 13 15.457 -34.725 5.536 113 HA LYS 13 HA LYS 13 15.280 -32.565 7.455 114 HB2 LYS 13 2HB LYS 13 17.345 -34.080 6.820 115 HB3 LYS 13 3HB LYS 13 17.575 -32.870 5.562 116 HG2 LYS 13 2HG LYS 13 17.485 -31.142 7.419 117 HG3 LYS 13 3HG LYS 13 17.640 -32.498 8.539 118 HD2 LYS 13 2HD LYS 13 19.717 -33.168 7.352 119 HD3 LYS 13 3HD LYS 13 19.580 -31.709 6.368 120 HE2 LYS 13 2HE LYS 13 19.984 -30.303 8.188 121 HE3 LYS 13 3HE LYS 13 19.600 -31.561 9.363 122 HZ1 LYS 13 1HZ LYS 13 21.867 -31.539 9.466 123 HZ2 LYS 13 2HZ LYS 13 22.069 -31.133 7.838 124 HZ3 LYS 13 3HZ LYS 13 21.652 -32.715 8.270 125 H GLY 14 H GLY 14 15.641 -30.341 6.931 126 HA2 GLY 14 2HA GLY 14 15.665 -29.419 4.232 127 HA3 GLY 14 3HA GLY 14 14.055 -29.307 4.926 128 H GLU 15 H GLU 15 15.430 -27.062 4.059 129 HA GLU 15 HA GLU 15 15.657 -25.601 6.576 130 HB2 GLU 15 2HB GLU 15 17.748 -25.406 4.402 131 HB3 GLU 15 3HB GLU 15 17.707 -24.471 5.891 132 HG2 GLU 15 2HG GLU 15 18.127 -26.413 7.207 133 HG3 GLU 15 3HG GLU 15 17.932 -27.467 5.808 134 H THR 16 H THR 16 15.755 -23.193 6.158 135 HA THR 16 HA THR 16 14.747 -22.262 3.624 136 HB THR 16 HB THR 16 12.676 -23.115 4.643 137 HG1 THR 16 HG1 THR 16 12.677 -21.161 3.348 138 HG21 THR 16 1HG2 THR 16 11.773 -21.914 6.644 139 HG22 THR 16 2HG2 THR 16 13.365 -21.187 6.859 140 HG23 THR 16 3HG2 THR 16 13.171 -22.935 6.983 141 H THR 17 H THR 17 14.274 -19.871 3.716 142 HA THR 17 HA THR 17 15.653 -18.482 5.887 143 HB THR 17 HB THR 17 17.012 -17.149 4.364 144 HG1 THR 17 HG1 THR 17 15.745 -17.256 2.490 145 HG21 THR 17 1HG2 THR 17 18.700 -18.682 4.124 146 HG22 THR 17 2HG2 THR 17 17.626 -19.928 3.488 147 HG23 THR 17 3HG2 THR 17 17.643 -19.575 5.216 148 H THR 18 H THR 18 15.295 -16.143 5.849 149 HA THR 18 HA THR 18 13.326 -15.023 4.100 150 HB THR 18 HB THR 18 11.763 -16.248 5.456 151 HG1 THR 18 HG1 THR 18 11.497 -13.841 5.011 152 HG21 THR 18 1HG2 THR 18 11.669 -15.651 7.959 153 HG22 THR 18 2HG2 THR 18 13.335 -15.113 7.750 154 HG23 THR 18 3HG2 THR 18 12.903 -16.792 7.426 155 H GLU 19 H GLU 19 13.326 -12.813 4.165 156 HA GLU 19 HA GLU 19 15.449 -11.567 5.651 157 HB2 GLU 19 2HB GLU 19 13.514 -10.693 3.551 158 HB3 GLU 19 3HB GLU 19 14.319 -9.463 4.516 159 HG2 GLU 19 2HG GLU 19 16.491 -10.358 3.837 160 HG3 GLU 19 3HG GLU 19 15.678 -11.581 2.862 161 H ALA 20 H ALA 20 15.309 -10.555 7.543 162 HA ALA 20 HA ALA 20 12.783 -9.392 8.410 163 HB1 ALA 20 1HB ALA 20 13.691 -10.699 10.705 164 HB2 ALA 20 2HB ALA 20 12.254 -11.078 9.756 165 HB3 ALA 20 3HB ALA 20 13.777 -11.900 9.416 166 H VAL 21 H VAL 21 13.156 -8.374 10.697 167 HA VAL 21 HA VAL 21 15.742 -6.966 10.583 168 HB VAL 21 HB VAL 21 14.549 -5.196 11.946 169 HG11 VAL 21 1HG1 VAL 21 13.967 -5.865 9.103 170 HG12 VAL 21 2HG1 VAL 21 13.133 -4.497 9.844 171 HG13 VAL 21 3HG1 VAL 21 14.896 -4.528 9.780 172 HG21 VAL 21 1HG2 VAL 21 12.081 -6.656 11.015 173 HG22 VAL 21 2HG2 VAL 21 12.687 -6.668 12.671 174 HG23 VAL 21 3HG2 VAL 21 12.142 -5.158 11.941 175 H ASP 22 H ASP 22 13.585 -8.813 12.587 176 HA ASP 22 HA ASP 22 15.627 -8.824 14.699 177 HB2 ASP 22 2HB ASP 22 12.650 -8.481 15.087 178 HB3 ASP 22 3HB ASP 22 13.762 -8.886 16.389 179 H ALA 23 H ALA 23 15.200 -10.663 16.284 180 HA ALA 23 HA ALA 23 15.182 -13.099 14.864 181 HB1 ALA 23 1HB ALA 23 16.291 -12.557 17.105 182 HB2 ALA 23 2HB ALA 23 14.716 -12.899 17.821 183 HB3 ALA 23 3HB ALA 23 15.563 -14.153 16.916 184 H ALA 24 H ALA 24 12.699 -11.381 16.662 185 HA ALA 24 HA ALA 24 10.812 -13.540 16.595 186 HB1 ALA 24 1HB ALA 24 9.204 -11.827 17.397 187 HB2 ALA 24 2HB ALA 24 10.665 -11.942 18.378 188 HB3 ALA 24 3HB ALA 24 10.475 -10.614 17.232 189 H THR 25 H THR 25 11.648 -10.886 14.517 190 HA THR 25 HA THR 25 9.264 -10.736 13.016 191 HB THR 25 HB THR 25 12.071 -10.107 12.084 192 HG1 THR 25 HG1 THR 25 10.961 -9.014 14.059 193 HG21 THR 25 1HG2 THR 25 10.938 -8.577 10.522 194 HG22 THR 25 2HG2 THR 25 9.378 -9.170 11.088 195 HG23 THR 25 3HG2 THR 25 10.482 -10.256 10.245 196 H ALA 26 H ALA 26 12.309 -12.475 12.404 197 HA ALA 26 HA ALA 26 11.305 -13.755 10.047 198 HB1 ALA 26 1HB ALA 26 13.422 -14.435 9.722 199 HB2 ALA 26 2HB ALA 26 13.798 -13.275 10.998 200 HB3 ALA 26 3HB ALA 26 13.611 -14.985 11.388 201 H GLU 27 H GLU 27 11.647 -14.636 13.439 202 HA GLU 27 HA GLU 27 11.223 -17.362 13.329 203 HB2 GLU 27 2HB GLU 27 11.775 -16.233 15.404 204 HB3 GLU 27 3HB GLU 27 10.237 -15.379 15.387 205 HG2 GLU 27 2HG GLU 27 9.041 -17.457 15.697 206 HG3 GLU 27 3HG GLU 27 10.550 -18.365 15.617 207 H LYS 28 H LYS 28 8.900 -14.744 13.053 208 HA LYS 28 HA LYS 28 6.524 -16.153 13.364 209 HB2 LYS 28 2HB LYS 28 6.648 -13.703 13.199 210 HB3 LYS 28 3HB LYS 28 7.081 -13.839 11.500 211 HG2 LYS 28 2HG LYS 28 4.825 -13.353 11.423 212 HG3 LYS 28 3HG LYS 28 4.850 -15.109 11.264 213 HD2 LYS 28 2HD LYS 28 3.245 -14.903 12.875 214 HD3 LYS 28 3HD LYS 28 4.675 -14.981 13.905 215 HE2 LYS 28 2HE LYS 28 3.748 -12.326 12.920 216 HE3 LYS 28 3HE LYS 28 2.861 -13.102 14.230 217 HZ1 LYS 28 1HZ LYS 28 4.383 -12.221 15.566 218 HZ2 LYS 28 2HZ LYS 28 5.402 -11.798 14.285 219 HZ3 LYS 28 3HZ LYS 28 5.481 -13.351 14.949 220 H VAL 29 H VAL 29 8.642 -15.867 10.573 221 HA VAL 29 HA VAL 29 6.815 -17.360 8.879 222 HB VAL 29 HB VAL 29 9.633 -16.485 8.242 223 HG11 VAL 29 1HG1 VAL 29 9.261 -17.122 6.097 224 HG12 VAL 29 2HG1 VAL 29 8.167 -18.258 6.889 225 HG13 VAL 29 3HG1 VAL 29 7.534 -16.774 6.177 226 HG21 VAL 29 1HG2 VAL 29 8.413 -14.625 6.994 227 HG22 VAL 29 2HG2 VAL 29 7.016 -15.026 7.993 228 HG23 VAL 29 3HG2 VAL 29 8.514 -14.480 8.749 229 H LEU 30 H LEU 30 10.083 -17.778 10.223 230 HA LEU 30 HA LEU 30 10.650 -20.293 9.220 231 HB2 LEU 30 2HB LEU 30 11.461 -18.837 11.697 232 HB3 LEU 30 3HB LEU 30 11.947 -20.518 11.476 233 HG LEU 30 HG LEU 30 12.815 -19.567 9.154 234 HD11 LEU 30 1HD1 LEU 30 12.807 -17.183 10.992 235 HD12 LEU 30 2HD1 LEU 30 12.062 -17.318 9.401 236 HD13 LEU 30 3HD1 LEU 30 13.819 -17.317 9.554 237 HD21 LEU 30 1HD2 LEU 30 14.635 -18.828 11.332 238 HD22 LEU 30 2HD2 LEU 30 14.850 -19.975 10.010 239 HD23 LEU 30 3HD2 LEU 30 13.959 -20.452 11.456 240 H LYS 31 H LYS 31 8.831 -19.407 12.118 241 HA LYS 31 HA LYS 31 8.469 -22.058 13.063 242 HB2 LYS 31 2HB LYS 31 6.950 -21.133 14.637 243 HB3 LYS 31 3HB LYS 31 8.209 -19.929 14.404 244 HG2 LYS 31 2HG LYS 31 6.648 -18.840 12.722 245 HG3 LYS 31 3HG LYS 31 5.394 -19.903 13.365 246 HD2 LYS 31 2HD LYS 31 7.040 -17.987 15.018 247 HD3 LYS 31 3HD LYS 31 5.414 -17.655 14.413 248 HE2 LYS 31 2HE LYS 31 6.233 -19.830 16.337 249 HE3 LYS 31 3HE LYS 31 5.276 -18.394 16.703 250 HZ1 LYS 31 1HZ LYS 31 4.495 -20.816 15.231 251 HZ2 LYS 31 2HZ LYS 31 3.718 -19.354 14.889 252 HZ3 LYS 31 3HZ LYS 31 3.668 -19.991 16.455 253 H GLN 32 H GLN 32 6.817 -20.091 10.719 254 HA GLN 32 HA GLN 32 4.478 -21.776 10.613 255 HB2 GLN 32 2HB GLN 32 4.509 -19.292 10.108 256 HB3 GLN 32 3HB GLN 32 5.321 -19.692 8.600 257 HG2 GLN 32 2HG GLN 32 2.874 -19.350 8.385 258 HG3 GLN 32 3HG GLN 32 3.437 -20.924 7.825 259 HE21 GLN 32 1HE2 GLN 32 2.628 -19.608 11.018 260 HE22 GLN 32 2HE2 GLN 32 1.486 -20.840 11.426 261 H TYR 33 H TYR 33 7.520 -21.479 8.930 262 HA TYR 33 HA TYR 33 6.884 -22.971 6.630 263 HB2 TYR 33 2HB TYR 33 8.918 -21.545 6.917 264 HB3 TYR 33 3HB TYR 33 9.579 -22.776 7.986 265 HD1 TYR 33 HD1 TYR 33 10.035 -25.076 7.051 266 HD2 TYR 33 HD2 TYR 33 9.103 -21.745 4.574 267 HE1 TYR 33 HE1 TYR 33 10.971 -26.264 5.112 268 HE2 TYR 33 HE2 TYR 33 10.038 -22.924 2.627 269 HH TYR 33 HH TYR 33 11.053 -26.274 2.821 270 H ALA 34 H ALA 34 8.250 -23.935 9.759 271 HA ALA 34 HA ALA 34 8.404 -26.710 9.035 272 HB1 ALA 34 1HB ALA 34 9.270 -25.052 11.228 273 HB2 ALA 34 2HB ALA 34 8.518 -26.535 11.815 274 HB3 ALA 34 3HB ALA 34 9.877 -26.620 10.696 275 H ASN 35 H ASN 35 6.309 -24.776 11.161 276 HA ASN 35 HA ASN 35 4.684 -26.829 12.102 277 HB2 ASN 35 2HB ASN 35 4.654 -24.540 13.011 278 HB3 ASN 35 3HB ASN 35 3.901 -23.962 11.526 279 HD21 ASN 35 1HD2 ASN 35 1.750 -24.391 11.138 280 HD22 ASN 35 2HD2 ASN 35 0.685 -24.995 12.357 281 H ASP 36 H ASP 36 4.401 -24.879 9.164 282 HA ASP 36 HA ASP 36 1.920 -25.719 8.269 283 HB2 ASP 36 2HB ASP 36 3.064 -23.938 7.135 284 HB3 ASP 36 3HB ASP 36 4.404 -24.999 6.708 285 H ASN 37 H ASN 37 5.011 -27.362 8.155 286 HA ASN 37 HA ASN 37 3.953 -29.508 6.503 287 HB2 ASN 37 2HB ASN 37 6.666 -28.941 7.691 288 HB3 ASN 37 3HB ASN 37 6.294 -30.474 6.911 289 HD21 ASN 37 1HD2 ASN 37 5.894 -27.000 6.298 290 HD22 ASN 37 2HD2 ASN 37 6.371 -27.067 4.638 291 H GLY 38 H GLY 38 4.277 -28.735 9.814 292 HA2 GLY 38 2HA GLY 38 3.173 -29.973 11.511 293 HA3 GLY 38 3HA GLY 38 3.318 -31.415 10.516 294 H ILE 39 H ILE 39 5.990 -29.236 11.118 295 HA ILE 39 HA ILE 39 7.488 -31.425 12.296 296 HB ILE 39 HB ILE 39 8.364 -28.606 11.659 297 HG12 ILE 39 2HG1 ILE 39 9.024 -31.135 10.151 298 HG13 ILE 39 3HG1 ILE 39 7.659 -30.108 9.725 299 HG21 ILE 39 1HG2 ILE 39 9.621 -30.743 13.127 300 HG22 ILE 39 2HG2 ILE 39 10.563 -30.317 11.699 301 HG23 ILE 39 3HG2 ILE 39 10.156 -29.079 12.887 302 HD11 ILE 39 1HD1 ILE 39 10.014 -28.510 9.972 303 HD12 ILE 39 2HD1 ILE 39 10.319 -29.872 8.893 304 HD13 ILE 39 3HD1 ILE 39 8.980 -28.772 8.568 305 H ASP 40 H ASP 40 7.987 -31.649 14.391 306 HA ASP 40 HA ASP 40 7.831 -29.395 16.212 307 HB2 ASP 40 2HB ASP 40 6.245 -30.429 17.726 308 HB3 ASP 40 3HB ASP 40 5.511 -30.283 16.132 309 H GLY 41 H GLY 41 9.378 -29.533 17.714 310 HA2 GLY 41 2HA GLY 41 10.178 -31.902 19.014 311 HA3 GLY 41 3HA GLY 41 11.291 -31.578 17.694 312 H GLU 42 H GLU 42 13.030 -31.211 19.080 313 HA GLU 42 HA GLU 42 12.864 -29.203 21.139 314 HB2 GLU 42 2HB GLU 42 14.978 -31.035 20.104 315 HB3 GLU 42 3HB GLU 42 15.481 -29.615 21.009 316 HG2 GLU 42 2HG GLU 42 13.928 -30.355 22.837 317 HG3 GLU 42 3HG GLU 42 13.726 -31.864 21.949 318 H TRP 43 H TRP 43 12.380 -27.254 20.181 319 HA TRP 43 HA TRP 43 13.877 -26.275 17.926 320 HB2 TRP 43 2HB TRP 43 11.641 -25.257 19.616 321 HB3 TRP 43 3HB TRP 43 12.589 -24.085 18.707 322 HD1 TRP 43 HD1 TRP 43 10.405 -27.216 18.100 323 HE1 TRP 43 HE1 TRP 43 9.419 -27.055 15.728 324 HE3 TRP 43 HE3 TRP 43 12.817 -23.001 16.504 325 HZ2 TRP 43 HZ2 TRP 43 9.637 -25.364 13.478 326 HZ3 TRP 43 HZ3 TRP 43 12.371 -22.178 14.229 327 HH2 TRP 43 HH2 TRP 43 10.815 -23.337 12.748 328 H THR 44 H THR 44 15.731 -25.193 17.980 329 HA THR 44 HA THR 44 16.519 -23.861 20.486 330 HB THR 44 HB THR 44 18.775 -24.595 20.277 331 HG1 THR 44 HG1 THR 44 19.592 -25.416 18.458 332 HG21 THR 44 1HG2 THR 44 17.090 -27.011 19.623 333 HG22 THR 44 2HG2 THR 44 17.117 -26.233 21.206 334 HG23 THR 44 3HG2 THR 44 18.584 -26.964 20.557 335 H TYR 45 H TYR 45 17.166 -21.810 20.269 336 HA TYR 45 HA TYR 45 17.796 -20.838 17.559 337 HB2 TYR 45 2HB TYR 45 16.750 -18.720 18.123 338 HB3 TYR 45 3HB TYR 45 15.604 -20.030 18.384 339 HD1 TYR 45 HD1 TYR 45 17.785 -17.573 20.049 340 HD2 TYR 45 HD2 TYR 45 14.762 -20.521 20.571 341 HE1 TYR 45 HE1 TYR 45 17.424 -16.786 22.353 342 HE2 TYR 45 HE2 TYR 45 14.392 -19.742 22.875 343 HH TYR 45 HH TYR 45 16.502 -17.844 24.535 344 H ASP 46 H ASP 46 19.568 -19.572 17.303 345 HA ASP 46 HA ASP 46 21.191 -19.075 19.710 346 HB2 ASP 46 2HB ASP 46 21.829 -20.275 17.158 347 HB3 ASP 46 3HB ASP 46 22.859 -18.880 17.463 348 H ASP 47 H ASP 47 21.875 -17.055 20.144 349 HA ASP 47 HA ASP 47 20.848 -14.908 18.470 350 HB2 ASP 47 2HB ASP 47 20.627 -14.998 21.020 351 HB3 ASP 47 3HB ASP 47 22.338 -14.585 21.068 352 H ALA 48 H ALA 48 23.847 -16.435 19.273 353 HA ALA 48 HA ALA 48 25.541 -14.294 18.406 354 HB1 ALA 48 1HB ALA 48 27.332 -15.684 18.890 355 HB2 ALA 48 2HB ALA 48 26.092 -16.242 20.014 356 HB3 ALA 48 3HB ALA 48 26.419 -17.152 18.539 357 H THR 49 H THR 49 24.695 -17.464 17.011 358 HA THR 49 HA THR 49 25.870 -16.723 14.466 359 HB THR 49 HB THR 49 25.255 -18.967 13.723 360 HG1 THR 49 HG1 THR 49 24.273 -19.635 16.266 361 HG21 THR 49 1HG2 THR 49 26.560 -20.278 15.364 362 HG22 THR 49 2HG2 THR 49 26.472 -18.921 16.487 363 HG23 THR 49 3HG2 THR 49 27.333 -18.745 14.958 364 H LYS 50 H LYS 50 22.834 -16.499 15.981 365 HA LYS 50 HA LYS 50 20.769 -15.856 15.277 366 HB2 LYS 50 2HB LYS 50 22.535 -14.764 13.110 367 HB3 LYS 50 3HB LYS 50 20.787 -14.604 12.995 368 HG2 LYS 50 2HG LYS 50 22.362 -13.665 15.376 369 HG3 LYS 50 3HG LYS 50 22.017 -12.642 13.980 370 HD2 LYS 50 2HD LYS 50 19.741 -12.594 14.418 371 HD3 LYS 50 3HD LYS 50 19.793 -14.074 15.377 372 HE2 LYS 50 2HE LYS 50 21.000 -12.879 17.141 373 HE3 LYS 50 3HE LYS 50 20.941 -11.403 16.181 374 HZ1 LYS 50 1HZ LYS 50 18.526 -11.467 16.306 375 HZ2 LYS 50 2HZ LYS 50 19.209 -11.423 17.853 376 HZ3 LYS 50 3HZ LYS 50 18.591 -12.875 17.243 377 H THR 51 H THR 51 21.288 -18.513 14.882 378 HA THR 51 HA THR 51 19.755 -19.052 12.434 379 HB THR 51 HB THR 51 22.143 -20.652 13.375 380 HG1 THR 51 HG1 THR 51 22.828 -18.874 12.218 381 HG21 THR 51 1HG2 THR 51 20.589 -22.218 12.521 382 HG22 THR 51 2HG2 THR 51 21.709 -21.895 11.198 383 HG23 THR 51 3HG2 THR 51 20.113 -21.144 11.206 384 H PHE 52 H PHE 52 18.263 -20.702 12.570 385 HA PHE 52 HA PHE 52 17.729 -21.673 15.285 386 HB2 PHE 52 2HB PHE 52 15.957 -21.396 12.856 387 HB3 PHE 52 3HB PHE 52 15.451 -22.221 14.326 388 HD1 PHE 52 HD1 PHE 52 14.338 -21.018 15.938 389 HD2 PHE 52 HD2 PHE 52 16.883 -18.966 13.212 390 HE1 PHE 52 HE1 PHE 52 13.627 -18.868 16.898 391 HE2 PHE 52 HE2 PHE 52 16.176 -16.812 14.168 392 HZ PHE 52 HZ PHE 52 14.548 -16.761 16.014 393 H THR 53 H THR 53 17.142 -23.865 15.643 394 HA THR 53 HA THR 53 17.484 -25.802 13.530 395 HB THR 53 HB THR 53 19.450 -25.736 15.827 396 HG1 THR 53 HG1 THR 53 20.571 -24.631 14.418 397 HG21 THR 53 1HG2 THR 53 19.710 -27.928 15.541 398 HG22 THR 53 2HG2 THR 53 20.139 -27.650 13.854 399 HG23 THR 53 3HG2 THR 53 18.456 -27.930 14.301 400 H VAL 54 H VAL 54 15.713 -26.976 13.895 401 HA VAL 54 HA VAL 54 14.946 -27.612 16.651 402 HB VAL 54 HB VAL 54 13.164 -26.681 15.308 403 HG11 VAL 54 1HG1 VAL 54 12.960 -27.090 13.135 404 HG12 VAL 54 2HG1 VAL 54 14.326 -28.204 13.239 405 HG13 VAL 54 3HG1 VAL 54 12.681 -28.802 13.456 406 HG21 VAL 54 1HG2 VAL 54 12.701 -29.640 15.650 407 HG22 VAL 54 2HG2 VAL 54 12.642 -28.459 16.959 408 HG23 VAL 54 3HG2 VAL 54 11.478 -28.369 15.637 409 H THR 55 H THR 55 15.397 -29.534 17.482 410 HA THR 55 HA THR 55 16.356 -31.663 15.741 411 HB THR 55 HB THR 55 16.195 -31.846 18.737 412 HG1 THR 55 HG1 THR 55 17.902 -30.276 17.158 413 HG21 THR 55 1HG2 THR 55 18.586 -32.888 17.635 414 HG22 THR 55 2HG2 THR 55 17.254 -33.456 16.630 415 HG23 THR 55 3HG2 THR 55 17.247 -33.773 18.366 416 H GLU 56 H GLU 56 14.845 -32.938 14.883 417 HA GLU 56 HA GLU 56 12.355 -33.452 16.270 418 HB2 GLU 56 2HB GLU 56 13.430 -34.209 13.562 419 HB3 GLU 56 3HB GLU 56 11.932 -34.888 14.183 420 HG2 GLU 56 2HG GLU 56 11.378 -32.327 14.580 421 HG3 GLU 56 3HG GLU 56 12.536 -32.139 13.265 Start of MODEL 5 1 H1 MET 1 H MET 1 17.037 -8.632 7.753 2 HA MET 1 HA MET 1 19.778 -9.402 8.461 3 HB2 MET 1 2HB MET 1 17.389 -9.746 10.281 4 HB3 MET 1 3HB MET 1 19.022 -10.313 10.604 5 HG2 MET 1 2HG MET 1 19.731 -7.878 10.417 6 HG3 MET 1 3HG MET 1 18.013 -7.492 10.502 7 HE1 MET 1 1HE MET 1 18.576 -6.179 13.582 8 HE2 MET 1 2HE MET 1 20.262 -6.698 13.575 9 HE3 MET 1 3HE MET 1 19.519 -6.093 12.093 10 H THR 2 H THR 2 20.199 -11.163 7.313 11 HA THR 2 HA THR 2 18.096 -12.901 6.381 12 HB THR 2 HB THR 2 21.095 -13.181 6.083 13 HG1 THR 2 HG1 THR 2 20.900 -11.869 4.424 14 HG21 THR 2 1HG2 THR 2 19.807 -14.422 3.953 15 HG22 THR 2 2HG2 THR 2 18.874 -14.903 5.369 16 HG23 THR 2 3HG2 THR 2 20.608 -15.220 5.306 17 H PHE 3 H PHE 3 17.320 -14.570 7.476 18 HA PHE 3 HA PHE 3 19.021 -15.819 9.531 19 HB2 PHE 3 2HB PHE 3 16.128 -15.133 9.462 20 HB3 PHE 3 3HB PHE 3 16.581 -16.622 10.284 21 HD1 PHE 3 HD1 PHE 3 18.197 -16.519 12.188 22 HD2 PHE 3 HD2 PHE 3 16.487 -13.030 10.452 23 HE1 PHE 3 HE1 PHE 3 18.804 -15.229 14.193 24 HE2 PHE 3 HE2 PHE 3 17.092 -11.733 12.453 25 HZ PHE 3 HZ PHE 3 18.252 -12.832 14.327 26 H LYS 4 H LYS 4 18.967 -18.085 9.761 27 HA LYS 4 HA LYS 4 17.893 -19.527 7.425 28 HB2 LYS 4 2HB LYS 4 20.519 -19.210 7.863 29 HB3 LYS 4 3HB LYS 4 20.247 -20.634 8.861 30 HG2 LYS 4 2HG LYS 4 19.381 -21.847 6.961 31 HG3 LYS 4 3HG LYS 4 19.522 -20.410 5.946 32 HD2 LYS 4 2HD LYS 4 21.991 -20.432 6.457 33 HD3 LYS 4 3HD LYS 4 21.744 -22.018 7.193 34 HE2 LYS 4 2HE LYS 4 22.313 -22.660 5.078 35 HE3 LYS 4 3HE LYS 4 20.568 -22.513 4.881 36 HZ1 LYS 4 1HZ LYS 4 21.657 -21.426 3.068 37 HZ2 LYS 4 2HZ LYS 4 22.611 -20.502 4.116 38 HZ3 LYS 4 3HZ LYS 4 20.942 -20.240 4.040 39 H LEU 5 H LEU 5 17.010 -21.565 7.770 40 HA LEU 5 HA LEU 5 16.515 -22.246 10.594 41 HB2 LEU 5 2HB LEU 5 14.607 -21.471 8.966 42 HB3 LEU 5 3HB LEU 5 14.698 -23.139 8.404 43 HG LEU 5 HG LEU 5 14.117 -22.278 11.239 44 HD11 LEU 5 1HD1 LEU 5 12.420 -22.057 9.141 45 HD12 LEU 5 2HD1 LEU 5 11.917 -22.367 10.802 46 HD13 LEU 5 3HD1 LEU 5 12.088 -23.707 9.669 47 HD21 LEU 5 1HD2 LEU 5 13.297 -24.845 11.022 48 HD22 LEU 5 2HD2 LEU 5 14.871 -24.357 11.651 49 HD23 LEU 5 3HD2 LEU 5 14.712 -24.863 9.969 50 H ILE 6 H ILE 6 17.103 -24.208 11.278 51 HA ILE 6 HA ILE 6 17.955 -26.169 9.249 52 HB ILE 6 HB ILE 6 19.007 -25.631 12.016 53 HG12 ILE 6 2HG1 ILE 6 19.923 -24.329 10.106 54 HG13 ILE 6 3HG1 ILE 6 21.129 -25.353 10.875 55 HG21 ILE 6 1HG2 ILE 6 20.543 -27.631 11.431 56 HG22 ILE 6 2HG2 ILE 6 18.933 -27.943 12.076 57 HG23 ILE 6 3HG2 ILE 6 19.236 -28.099 10.345 58 HD11 ILE 6 1HD1 ILE 6 21.588 -26.273 8.923 59 HD12 ILE 6 2HD1 ILE 6 19.921 -26.833 8.782 60 HD13 ILE 6 3HD1 ILE 6 20.375 -25.248 8.156 61 H ILE 7 H ILE 7 16.304 -27.557 9.004 62 HA ILE 7 HA ILE 7 14.816 -28.470 11.346 63 HB ILE 7 HB ILE 7 14.319 -29.148 8.447 64 HG12 ILE 7 2HG1 ILE 7 12.986 -27.029 10.147 65 HG13 ILE 7 3HG1 ILE 7 14.176 -26.705 8.890 66 HG21 ILE 7 1HG2 ILE 7 13.338 -30.341 10.712 67 HG22 ILE 7 2HG2 ILE 7 12.085 -29.165 10.323 68 HG23 ILE 7 3HG2 ILE 7 12.570 -30.364 9.125 69 HD11 ILE 7 1HD1 ILE 7 12.511 -27.996 7.369 70 HD12 ILE 7 2HD1 ILE 7 11.349 -27.602 8.636 71 HD13 ILE 7 3HD1 ILE 7 12.204 -26.311 7.791 72 H ASN 8 H ASN 8 16.322 -29.825 12.334 73 HA ASN 8 HA ASN 8 17.652 -31.921 10.917 74 HB2 ASN 8 2HB ASN 8 18.531 -30.877 13.007 75 HB3 ASN 8 3HB ASN 8 17.224 -31.651 13.899 76 HD21 ASN 8 1HD2 ASN 8 19.806 -32.116 14.595 77 HD22 ASN 8 2HD2 ASN 8 20.246 -33.738 14.194 78 H GLY 9 H GLY 9 15.700 -32.795 9.870 79 HA2 GLY 9 2HA GLY 9 14.069 -34.467 11.665 80 HA3 GLY 9 3HA GLY 9 13.614 -33.983 10.037 81 H LYS 10 H LYS 10 14.673 -36.509 11.869 82 HA LYS 10 HA LYS 10 16.559 -37.812 10.273 83 HB2 LYS 10 2HB LYS 10 15.853 -39.866 11.408 84 HB3 LYS 10 3HB LYS 10 16.017 -38.536 12.546 85 HG2 LYS 10 2HG LYS 10 13.957 -38.907 13.254 86 HG3 LYS 10 3HG LYS 10 13.342 -38.538 11.642 87 HD2 LYS 10 2HD LYS 10 13.970 -40.971 11.077 88 HD3 LYS 10 3HD LYS 10 14.047 -41.203 12.826 89 HE2 LYS 10 2HE LYS 10 11.658 -39.855 12.423 90 HE3 LYS 10 3HE LYS 10 11.742 -40.987 11.074 91 HZ1 LYS 10 1HZ LYS 10 11.245 -42.653 12.425 92 HZ2 LYS 10 2HZ LYS 10 10.993 -41.540 13.674 93 HZ3 LYS 10 3HZ LYS 10 12.510 -42.264 13.481 94 H THR 11 H THR 11 13.146 -37.399 9.868 95 HA THR 11 HA THR 11 13.179 -39.265 7.587 96 HB THR 11 HB THR 11 11.520 -39.848 9.303 97 HG1 THR 11 HG1 THR 11 9.640 -39.676 7.804 98 HG21 THR 11 1HG2 THR 11 11.172 -37.475 10.074 99 HG22 THR 11 2HG2 THR 11 9.697 -38.421 9.872 100 HG23 THR 11 3HG2 THR 11 10.161 -37.237 8.650 101 H LEU 12 H LEU 12 12.431 -36.008 8.634 102 HA LEU 12 HA LEU 12 12.196 -35.219 5.813 103 HB2 LEU 12 2HB LEU 12 9.977 -35.338 7.073 104 HB3 LEU 12 3HB LEU 12 10.558 -33.946 7.985 105 HG LEU 12 HG LEU 12 10.764 -32.722 5.803 106 HD11 LEU 12 1HD1 LEU 12 9.247 -33.712 3.991 107 HD12 LEU 12 2HD1 LEU 12 9.472 -35.247 4.829 108 HD13 LEU 12 3HD1 LEU 12 10.866 -34.388 4.172 109 HD21 LEU 12 1HD2 LEU 12 8.068 -33.714 6.710 110 HD22 LEU 12 2HD2 LEU 12 8.299 -32.382 5.576 111 HD23 LEU 12 3HD2 LEU 12 8.908 -32.253 7.227 112 H LYS 13 H LYS 13 14.250 -34.381 5.719 113 HA LYS 13 HA LYS 13 14.951 -32.275 7.641 114 HB2 LYS 13 2HB LYS 13 16.467 -34.337 6.937 115 HB3 LYS 13 3HB LYS 13 16.886 -33.271 5.602 116 HG2 LYS 13 2HG LYS 13 17.608 -31.559 7.182 117 HG3 LYS 13 3HG LYS 13 17.176 -32.617 8.528 118 HD2 LYS 13 2HD LYS 13 19.459 -32.968 8.320 119 HD3 LYS 13 3HD LYS 13 18.778 -34.309 7.395 120 HE2 LYS 13 2HE LYS 13 20.366 -33.550 5.925 121 HE3 LYS 13 3HE LYS 13 18.971 -32.607 5.403 122 HZ1 LYS 13 1HZ LYS 13 21.448 -31.700 6.428 123 HZ2 LYS 13 2HZ LYS 13 20.185 -31.144 7.407 124 HZ3 LYS 13 3HZ LYS 13 20.184 -30.803 5.750 125 H GLY 14 H GLY 14 15.844 -30.275 6.873 126 HA2 GLY 14 2HA GLY 14 16.058 -29.460 4.232 127 HA3 GLY 14 3HA GLY 14 14.386 -29.181 4.693 128 H GLU 15 H GLU 15 15.578 -26.985 3.991 129 HA GLU 15 HA GLU 15 15.951 -25.556 6.503 130 HB2 GLU 15 2HB GLU 15 17.908 -25.302 4.212 131 HB3 GLU 15 3HB GLU 15 17.942 -24.388 5.714 132 HG2 GLU 15 2HG GLU 15 19.532 -25.997 6.098 133 HG3 GLU 15 3HG GLU 15 18.103 -26.718 6.836 134 H THR 16 H THR 16 15.832 -23.190 6.213 135 HA THR 16 HA THR 16 14.785 -22.176 3.727 136 HB THR 16 HB THR 16 12.745 -23.150 4.597 137 HG1 THR 16 HG1 THR 16 12.216 -21.276 3.637 138 HG21 THR 16 1HG2 THR 16 13.360 -21.556 7.087 139 HG22 THR 16 2HG2 THR 16 13.246 -23.310 6.941 140 HG23 THR 16 3HG2 THR 16 11.802 -22.315 6.758 141 H THR 17 H THR 17 14.472 -19.860 3.759 142 HA THR 17 HA THR 17 15.620 -18.488 6.088 143 HB THR 17 HB THR 17 17.092 -17.151 4.768 144 HG1 THR 17 HG1 THR 17 16.770 -16.866 2.694 145 HG21 THR 17 1HG2 THR 17 18.656 -18.774 3.931 146 HG22 THR 17 2HG2 THR 17 17.379 -19.977 3.749 147 HG23 THR 17 3HG2 THR 17 17.869 -19.448 5.358 148 H THR 18 H THR 18 15.096 -16.234 6.224 149 HA THR 18 HA THR 18 13.161 -15.128 4.384 150 HB THR 18 HB THR 18 11.634 -16.389 5.744 151 HG1 THR 18 HG1 THR 18 10.456 -14.641 5.646 152 HG21 THR 18 1HG2 THR 18 11.931 -15.189 8.309 153 HG22 THR 18 2HG2 THR 18 13.495 -15.836 7.816 154 HG23 THR 18 3HG2 THR 18 12.081 -16.890 7.868 155 H GLU 19 H GLU 19 13.674 -13.060 4.147 156 HA GLU 19 HA GLU 19 15.478 -11.745 5.924 157 HB2 GLU 19 2HB GLU 19 15.027 -11.431 3.334 158 HB3 GLU 19 3HB GLU 19 13.888 -10.223 3.908 159 HG2 GLU 19 2HG GLU 19 16.712 -10.215 4.880 160 HG3 GLU 19 3HG GLU 19 16.299 -9.520 3.314 161 H ALA 20 H ALA 20 14.941 -10.873 7.802 162 HA ALA 20 HA ALA 20 12.360 -9.483 8.030 163 HB1 ALA 20 1HB ALA 20 11.714 -10.590 9.893 164 HB2 ALA 20 2HB ALA 20 12.713 -11.866 9.196 165 HB3 ALA 20 3HB ALA 20 13.368 -10.824 10.461 166 H VAL 21 H VAL 21 12.367 -8.170 10.191 167 HA VAL 21 HA VAL 21 14.739 -6.484 10.087 168 HB VAL 21 HB VAL 21 13.465 -4.895 11.428 169 HG11 VAL 21 1HG1 VAL 21 12.849 -5.734 8.823 170 HG12 VAL 21 2HG1 VAL 21 11.303 -5.416 9.614 171 HG13 VAL 21 3HG1 VAL 21 12.538 -4.158 9.550 172 HG21 VAL 21 1HG2 VAL 21 12.247 -6.375 12.871 173 HG22 VAL 21 2HG2 VAL 21 11.087 -5.392 11.979 174 HG23 VAL 21 3HG2 VAL 21 11.373 -7.066 11.504 175 H ASP 22 H ASP 22 13.127 -8.698 12.251 176 HA ASP 22 HA ASP 22 15.423 -8.539 14.059 177 HB2 ASP 22 2HB ASP 22 13.302 -7.167 14.815 178 HB3 ASP 22 3HB ASP 22 12.701 -8.757 15.280 179 H ALA 23 H ALA 23 15.183 -10.365 15.781 180 HA ALA 23 HA ALA 23 15.097 -12.822 14.371 181 HB1 ALA 23 1HB ALA 23 15.019 -13.454 17.077 182 HB2 ALA 23 2HB ALA 23 16.456 -13.288 16.068 183 HB3 ALA 23 3HB ALA 23 15.871 -11.911 17.000 184 H ALA 24 H ALA 24 12.757 -11.042 16.210 185 HA ALA 24 HA ALA 24 10.978 -13.290 16.576 186 HB1 ALA 24 1HB ALA 24 11.134 -11.404 18.196 187 HB2 ALA 24 2HB ALA 24 10.384 -10.365 16.984 188 HB3 ALA 24 3HB ALA 24 9.495 -11.740 17.637 189 H THR 25 H THR 25 11.447 -10.719 14.278 190 HA THR 25 HA THR 25 8.883 -10.836 13.058 191 HB THR 25 HB THR 25 11.464 -9.933 11.771 192 HG1 THR 25 HG1 THR 25 9.607 -8.488 13.385 193 HG21 THR 25 1HG2 THR 25 8.558 -9.340 11.217 194 HG22 THR 25 2HG2 THR 25 9.710 -10.148 10.154 195 HG23 THR 25 3HG2 THR 25 9.896 -8.431 10.515 196 H ALA 26 H ALA 26 11.987 -12.391 12.365 197 HA ALA 26 HA ALA 26 11.023 -13.731 10.020 198 HB1 ALA 26 1HB ALA 26 13.511 -13.158 11.027 199 HB2 ALA 26 2HB ALA 26 13.379 -14.899 11.277 200 HB3 ALA 26 3HB ALA 26 13.172 -14.222 9.662 201 H GLU 27 H GLU 27 11.534 -14.604 13.405 202 HA GLU 27 HA GLU 27 11.171 -17.337 13.289 203 HB2 GLU 27 2HB GLU 27 11.754 -15.953 15.319 204 HB3 GLU 27 3HB GLU 27 10.044 -15.569 15.460 205 HG2 GLU 27 2HG GLU 27 9.475 -17.804 15.930 206 HG3 GLU 27 3HG GLU 27 11.058 -18.392 15.422 207 H LYS 28 H LYS 28 8.750 -14.781 13.266 208 HA LYS 28 HA LYS 28 6.441 -16.250 13.661 209 HB2 LYS 28 2HB LYS 28 7.062 -13.759 12.127 210 HB3 LYS 28 3HB LYS 28 5.462 -14.474 11.981 211 HG2 LYS 28 2HG LYS 28 6.617 -13.954 14.683 212 HG3 LYS 28 3HG LYS 28 5.903 -12.635 13.755 213 HD2 LYS 28 2HD LYS 28 3.864 -14.135 13.491 214 HD3 LYS 28 3HD LYS 28 4.585 -15.154 14.739 215 HE2 LYS 28 2HE LYS 28 3.236 -13.784 16.002 216 HE3 LYS 28 3HE LYS 28 4.764 -12.907 16.058 217 HZ1 LYS 28 1HZ LYS 28 2.979 -12.241 13.861 218 HZ2 LYS 28 2HZ LYS 28 3.955 -11.235 14.806 219 HZ3 LYS 28 3HZ LYS 28 2.465 -11.769 15.402 220 H VAL 29 H VAL 29 8.281 -15.762 10.680 221 HA VAL 29 HA VAL 29 6.430 -17.373 9.137 222 HB VAL 29 HB VAL 29 9.119 -16.305 8.274 223 HG11 VAL 29 1HG1 VAL 29 7.647 -16.368 6.047 224 HG12 VAL 29 2HG1 VAL 29 8.603 -17.746 6.598 225 HG13 VAL 29 3HG1 VAL 29 6.871 -17.683 6.929 226 HG21 VAL 29 1HG2 VAL 29 6.598 -14.933 8.763 227 HG22 VAL 29 2HG2 VAL 29 8.212 -14.274 8.492 228 HG23 VAL 29 3HG2 VAL 29 7.195 -14.711 7.118 229 H LEU 30 H LEU 30 9.696 -17.645 10.457 230 HA LEU 30 HA LEU 30 10.471 -20.038 9.273 231 HB2 LEU 30 2HB LEU 30 11.117 -18.913 11.990 232 HB3 LEU 30 3HB LEU 30 11.917 -20.323 11.298 233 HG LEU 30 HG LEU 30 11.987 -17.529 10.161 234 HD11 LEU 30 1HD1 LEU 30 14.546 -18.248 10.807 235 HD12 LEU 30 2HD1 LEU 30 13.615 -18.917 12.147 236 HD13 LEU 30 3HD1 LEU 30 13.504 -17.199 11.767 237 HD21 LEU 30 1HD2 LEU 30 13.097 -20.158 9.251 238 HD22 LEU 30 2HD2 LEU 30 13.909 -18.647 8.842 239 HD23 LEU 30 3HD2 LEU 30 12.246 -18.921 8.323 240 H LYS 31 H LYS 31 8.707 -19.502 12.309 241 HA LYS 31 HA LYS 31 8.489 -22.220 13.026 242 HB2 LYS 31 2HB LYS 31 6.910 -21.513 14.663 243 HB3 LYS 31 3HB LYS 31 8.111 -20.236 14.533 244 HG2 LYS 31 2HG LYS 31 6.604 -18.918 13.168 245 HG3 LYS 31 3HG LYS 31 5.406 -20.214 13.210 246 HD2 LYS 31 2HD LYS 31 4.766 -18.574 14.827 247 HD3 LYS 31 3HD LYS 31 5.365 -19.986 15.701 248 HE2 LYS 31 2HE LYS 31 7.316 -18.922 16.343 249 HE3 LYS 31 3HE LYS 31 7.232 -17.752 15.026 250 HZ1 LYS 31 1HZ LYS 31 5.473 -16.607 16.125 251 HZ2 LYS 31 2HZ LYS 31 6.720 -16.818 17.247 252 HZ3 LYS 31 3HZ LYS 31 5.345 -17.801 17.316 253 H GLN 32 H GLN 32 6.586 -20.152 10.941 254 HA GLN 32 HA GLN 32 4.365 -21.935 10.714 255 HB2 GLN 32 2HB GLN 32 5.252 -19.436 9.356 256 HB3 GLN 32 3HB GLN 32 4.067 -20.443 8.535 257 HG2 GLN 32 2HG GLN 32 3.779 -19.307 11.307 258 HG3 GLN 32 3HG GLN 32 3.016 -18.677 9.848 259 HE21 GLN 32 1HE2 GLN 32 2.198 -20.122 12.494 260 HE22 GLN 32 2HE2 GLN 32 1.003 -21.244 11.948 261 H TYR 33 H TYR 33 7.406 -21.540 9.059 262 HA TYR 33 HA TYR 33 6.779 -23.024 6.733 263 HB2 TYR 33 2HB TYR 33 8.730 -21.503 6.924 264 HB3 TYR 33 3HB TYR 33 9.482 -22.637 8.040 265 HD1 TYR 33 HD1 TYR 33 10.266 -24.836 7.232 266 HD2 TYR 33 HD2 TYR 33 8.734 -21.897 4.562 267 HE1 TYR 33 HE1 TYR 33 11.271 -26.042 5.338 268 HE2 TYR 33 HE2 TYR 33 9.735 -23.096 2.662 269 HH TYR 33 HH TYR 33 11.054 -24.774 2.032 270 H ALA 34 H ALA 34 8.332 -23.930 9.796 271 HA ALA 34 HA ALA 34 8.696 -26.661 9.094 272 HB1 ALA 34 1HB ALA 34 9.682 -25.088 11.054 273 HB2 ALA 34 2HB ALA 34 8.473 -26.004 11.954 274 HB3 ALA 34 3HB ALA 34 9.747 -26.851 11.077 275 H ASN 35 H ASN 35 6.357 -25.042 11.247 276 HA ASN 35 HA ASN 35 4.866 -27.258 11.971 277 HB2 ASN 35 2HB ASN 35 4.660 -24.901 12.873 278 HB3 ASN 35 3HB ASN 35 3.693 -24.524 11.449 279 HD21 ASN 35 1HD2 ASN 35 1.738 -25.784 11.119 280 HD22 ASN 35 2HD2 ASN 35 0.865 -26.352 12.497 281 H ASP 36 H ASP 36 4.681 -25.292 9.058 282 HA ASP 36 HA ASP 36 2.280 -26.267 8.013 283 HB2 ASP 36 2HB ASP 36 3.301 -24.344 7.012 284 HB3 ASP 36 3HB ASP 36 4.769 -25.243 6.641 285 H ASN 37 H ASN 37 5.423 -27.712 8.212 286 HA ASN 37 HA ASN 37 4.654 -29.858 6.375 287 HB2 ASN 37 2HB ASN 37 7.273 -29.027 7.606 288 HB3 ASN 37 3HB ASN 37 7.078 -30.603 6.840 289 HD21 ASN 37 1HD2 ASN 37 6.619 -27.146 6.254 290 HD22 ASN 37 2HD2 ASN 37 7.014 -27.202 4.573 291 H GLY 38 H GLY 38 3.606 -29.406 9.175 292 HA2 GLY 38 2HA GLY 38 2.974 -30.711 10.955 293 HA3 GLY 38 3HA GLY 38 3.370 -32.092 9.942 294 H ILE 39 H ILE 39 5.880 -29.825 10.563 295 HA ILE 39 HA ILE 39 7.422 -31.826 11.935 296 HB ILE 39 HB ILE 39 8.080 -28.932 11.374 297 HG12 ILE 39 2HG1 ILE 39 9.005 -31.417 9.923 298 HG13 ILE 39 3HG1 ILE 39 7.685 -30.391 9.368 299 HG21 ILE 39 1HG2 ILE 39 10.458 -30.198 11.586 300 HG22 ILE 39 2HG2 ILE 39 9.674 -29.336 12.910 301 HG23 ILE 39 3HG2 ILE 39 9.507 -31.086 12.775 302 HD11 ILE 39 1HD1 ILE 39 9.868 -28.691 9.832 303 HD12 ILE 39 2HD1 ILE 39 10.493 -30.096 8.968 304 HD13 ILE 39 3HD1 ILE 39 9.163 -29.162 8.285 305 H ASP 40 H ASP 40 7.774 -32.036 14.060 306 HA ASP 40 HA ASP 40 7.145 -29.826 15.864 307 HB2 ASP 40 2HB ASP 40 5.785 -31.227 17.321 308 HB3 ASP 40 3HB ASP 40 5.082 -31.176 15.706 309 H GLY 41 H GLY 41 8.672 -29.602 17.366 310 HA2 GLY 41 2HA GLY 41 9.888 -31.718 18.770 311 HA3 GLY 41 3HA GLY 41 10.953 -31.228 17.460 312 H GLU 42 H GLU 42 12.482 -30.623 19.103 313 HA GLU 42 HA GLU 42 11.787 -28.350 20.783 314 HB2 GLU 42 2HB GLU 42 13.981 -28.652 21.787 315 HB3 GLU 42 3HB GLU 42 13.127 -30.188 21.727 316 HG2 GLU 42 2HG GLU 42 14.450 -30.405 19.442 317 HG3 GLU 42 3HG GLU 42 15.546 -29.299 20.269 318 H TRP 43 H TRP 43 12.201 -26.304 20.273 319 HA TRP 43 HA TRP 43 13.755 -25.756 17.858 320 HB2 TRP 43 2HB TRP 43 11.751 -24.167 19.445 321 HB3 TRP 43 3HB TRP 43 12.794 -23.392 18.254 322 HD1 TRP 43 HD1 TRP 43 10.156 -26.229 18.413 323 HE1 TRP 43 HE1 TRP 43 8.957 -26.324 16.137 324 HE3 TRP 43 HE3 TRP 43 12.868 -22.686 15.918 325 HZ2 TRP 43 HZ2 TRP 43 9.139 -25.066 13.617 326 HZ3 TRP 43 HZ3 TRP 43 12.293 -22.191 13.577 327 HH2 TRP 43 HH2 TRP 43 10.467 -23.358 12.453 328 H THR 44 H THR 44 15.716 -24.859 17.903 329 HA THR 44 HA THR 44 16.647 -23.675 20.437 330 HB THR 44 HB THR 44 18.832 -24.575 20.108 331 HG1 THR 44 HG1 THR 44 19.327 -24.647 18.024 332 HG21 THR 44 1HG2 THR 44 16.961 -26.825 19.388 333 HG22 THR 44 2HG2 THR 44 17.030 -26.108 20.997 334 HG23 THR 44 3HG2 THR 44 18.450 -26.911 20.326 335 H TYR 45 H TYR 45 17.481 -21.682 20.324 336 HA TYR 45 HA TYR 45 18.053 -20.582 17.650 337 HB2 TYR 45 2HB TYR 45 17.399 -18.373 18.583 338 HB3 TYR 45 3HB TYR 45 16.078 -19.536 18.582 339 HD1 TYR 45 HD1 TYR 45 18.444 -17.672 20.680 340 HD2 TYR 45 HD2 TYR 45 15.156 -20.372 20.652 341 HE1 TYR 45 HE1 TYR 45 18.106 -17.275 23.084 342 HE2 TYR 45 HE2 TYR 45 14.807 -19.982 23.055 343 HH TYR 45 HH TYR 45 16.863 -18.920 25.062 344 H ASP 46 H ASP 46 19.977 -19.626 17.315 345 HA ASP 46 HA ASP 46 21.781 -19.365 19.632 346 HB2 ASP 46 2HB ASP 46 22.236 -21.110 17.726 347 HB3 ASP 46 3HB ASP 46 22.805 -19.701 16.837 348 H ASP 47 H ASP 47 22.630 -17.422 20.033 349 HA ASP 47 HA ASP 47 21.958 -15.223 18.248 350 HB2 ASP 47 2HB ASP 47 21.702 -15.255 20.839 351 HB3 ASP 47 3HB ASP 47 23.432 -14.917 20.847 352 H ALA 48 H ALA 48 24.681 -17.130 19.173 353 HA ALA 48 HA ALA 48 26.703 -15.276 18.373 354 HB1 ALA 48 1HB ALA 48 26.596 -17.889 19.546 355 HB2 ALA 48 2HB ALA 48 27.749 -17.875 18.210 356 HB3 ALA 48 3HB ALA 48 27.919 -16.723 19.534 357 H THR 49 H THR 49 24.792 -17.702 16.764 358 HA THR 49 HA THR 49 26.282 -17.192 14.271 359 HB THR 49 HB THR 49 25.395 -19.368 13.459 360 HG1 THR 49 HG1 THR 49 24.676 -19.888 16.155 361 HG21 THR 49 1HG2 THR 49 26.943 -19.596 16.042 362 HG22 THR 49 2HG2 THR 49 27.644 -19.184 14.477 363 HG23 THR 49 3HG2 THR 49 26.912 -20.769 14.727 364 H LYS 50 H LYS 50 23.350 -16.765 15.892 365 HA LYS 50 HA LYS 50 21.313 -15.953 15.284 366 HB2 LYS 50 2HB LYS 50 23.060 -15.004 13.034 367 HB3 LYS 50 3HB LYS 50 21.327 -14.698 13.004 368 HG2 LYS 50 2HG LYS 50 23.205 -13.843 15.199 369 HG3 LYS 50 3HG LYS 50 22.600 -12.807 13.903 370 HD2 LYS 50 2HD LYS 50 20.262 -13.501 14.733 371 HD3 LYS 50 3HD LYS 50 21.099 -14.033 16.194 372 HE2 LYS 50 2HE LYS 50 22.146 -11.674 16.178 373 HE3 LYS 50 3HE LYS 50 20.841 -11.269 15.064 374 HZ1 LYS 50 1HZ LYS 50 20.341 -10.799 17.429 375 HZ2 LYS 50 2HZ LYS 50 20.414 -12.458 17.749 376 HZ3 LYS 50 3HZ LYS 50 19.231 -11.851 16.702 377 H THR 51 H THR 51 21.618 -18.648 14.857 378 HA THR 51 HA THR 51 19.878 -19.051 12.529 379 HB THR 51 HB THR 51 22.162 -20.909 13.214 380 HG1 THR 51 HG1 THR 51 23.320 -19.876 11.740 381 HG21 THR 51 1HG2 THR 51 21.596 -21.862 10.961 382 HG22 THR 51 2HG2 THR 51 20.141 -20.863 10.975 383 HG23 THR 51 3HG2 THR 51 20.365 -22.114 12.198 384 H PHE 52 H PHE 52 18.424 -20.785 12.701 385 HA PHE 52 HA PHE 52 18.037 -21.736 15.455 386 HB2 PHE 52 2HB PHE 52 16.035 -21.593 13.191 387 HB3 PHE 52 3HB PHE 52 15.691 -22.076 14.849 388 HD1 PHE 52 HD1 PHE 52 16.032 -19.338 12.557 389 HD2 PHE 52 HD2 PHE 52 15.958 -20.379 16.684 390 HE1 PHE 52 HE1 PHE 52 15.568 -16.992 13.135 391 HE2 PHE 52 HE2 PHE 52 15.493 -18.035 17.269 392 HZ PHE 52 HZ PHE 52 15.297 -16.338 15.495 393 H THR 53 H THR 53 17.391 -23.916 15.820 394 HA THR 53 HA THR 53 17.726 -25.801 13.619 395 HB THR 53 HB THR 53 19.401 -25.941 16.135 396 HG1 THR 53 HG1 THR 53 20.377 -25.875 13.482 397 HG21 THR 53 1HG2 THR 53 20.319 -27.841 14.347 398 HG22 THR 53 2HG2 THR 53 18.563 -27.975 14.229 399 HG23 THR 53 3HG2 THR 53 19.360 -28.151 15.794 400 H VAL 54 H VAL 54 15.855 -26.868 13.722 401 HA VAL 54 HA VAL 54 14.648 -27.469 16.309 402 HB VAL 54 HB VAL 54 13.541 -28.075 13.567 403 HG11 VAL 54 1HG1 VAL 54 12.656 -29.259 15.653 404 HG12 VAL 54 2HG1 VAL 54 12.008 -27.685 16.118 405 HG13 VAL 54 3HG1 VAL 54 11.482 -28.446 14.617 406 HG21 VAL 54 1HG2 VAL 54 13.804 -25.737 13.580 407 HG22 VAL 54 2HG2 VAL 54 12.124 -26.012 14.040 408 HG23 VAL 54 3HG2 VAL 54 13.319 -25.609 15.271 409 H THR 55 H THR 55 15.428 -29.234 17.275 410 HA THR 55 HA THR 55 16.303 -31.522 15.710 411 HB THR 55 HB THR 55 16.243 -31.396 18.717 412 HG1 THR 55 HG1 THR 55 17.609 -29.791 18.556 413 HG21 THR 55 1HG2 THR 55 16.838 -33.544 18.025 414 HG22 THR 55 2HG2 THR 55 18.396 -32.754 18.277 415 HG23 THR 55 3HG2 THR 55 17.757 -32.947 16.644 416 H GLU 56 H GLU 56 14.655 -32.724 14.956 417 HA GLU 56 HA GLU 56 12.254 -33.154 16.485 418 HB2 GLU 56 2HB GLU 56 13.245 -33.969 13.789 419 HB3 GLU 56 3HB GLU 56 11.918 -34.873 14.503 420 HG2 GLU 56 2HG GLU 56 10.707 -33.323 13.397 421 HG3 GLU 56 3HG GLU 56 10.968 -32.426 14.891 Start of MODEL 6 1 H1 MET 1 H MET 1 17.254 -8.472 7.842 2 HA MET 1 HA MET 1 20.068 -9.290 7.795 3 HB2 MET 1 2HB MET 1 18.243 -9.248 10.180 4 HB3 MET 1 3HB MET 1 19.559 -10.411 10.079 5 HG2 MET 1 2HG MET 1 21.155 -8.564 9.837 6 HG3 MET 1 3HG MET 1 19.827 -7.415 9.986 7 HE1 MET 1 1HE MET 1 22.324 -9.316 13.061 8 HE2 MET 1 2HE MET 1 22.525 -9.043 11.330 9 HE3 MET 1 3HE MET 1 22.572 -7.680 12.450 10 H THR 2 H THR 2 20.264 -11.170 6.786 11 HA THR 2 HA THR 2 17.945 -12.773 6.190 12 HB THR 2 HB THR 2 20.811 -13.491 5.579 13 HG1 THR 2 HG1 THR 2 19.066 -11.980 3.912 14 HG21 THR 2 1HG2 THR 2 19.933 -14.859 3.883 15 HG22 THR 2 2HG2 THR 2 18.354 -14.075 3.946 16 HG23 THR 2 3HG2 THR 2 18.867 -15.133 5.261 17 H PHE 3 H PHE 3 17.328 -14.639 7.114 18 HA PHE 3 HA PHE 3 19.065 -15.753 9.219 19 HB2 PHE 3 2HB PHE 3 16.140 -15.210 9.136 20 HB3 PHE 3 3HB PHE 3 16.669 -16.657 9.989 21 HD1 PHE 3 HD1 PHE 3 18.191 -16.457 11.929 22 HD2 PHE 3 HD2 PHE 3 16.474 -13.049 10.043 23 HE1 PHE 3 HE1 PHE 3 18.727 -15.095 13.907 24 HE2 PHE 3 HE2 PHE 3 17.008 -11.683 12.017 25 HZ PHE 3 HZ PHE 3 18.136 -12.705 13.952 26 H LYS 4 H LYS 4 18.920 -18.056 9.576 27 HA LYS 4 HA LYS 4 18.055 -19.546 7.184 28 HB2 LYS 4 2HB LYS 4 20.594 -19.239 7.583 29 HB3 LYS 4 3HB LYS 4 20.380 -20.394 8.893 30 HG2 LYS 4 2HG LYS 4 19.567 -22.058 7.332 31 HG3 LYS 4 3HG LYS 4 19.682 -20.899 6.007 32 HD2 LYS 4 2HD LYS 4 22.092 -20.767 6.306 33 HD3 LYS 4 3HD LYS 4 21.997 -21.872 7.680 34 HE2 LYS 4 2HE LYS 4 20.803 -23.420 5.908 35 HE3 LYS 4 3HE LYS 4 21.703 -22.420 4.768 36 HZ1 LYS 4 1HZ LYS 4 23.738 -23.079 5.718 37 HZ2 LYS 4 2HZ LYS 4 22.844 -24.502 5.539 38 HZ3 LYS 4 3HZ LYS 4 22.991 -23.781 7.063 39 H LEU 5 H LEU 5 17.167 -21.589 7.500 40 HA LEU 5 HA LEU 5 16.444 -22.209 10.289 41 HB2 LEU 5 2HB LEU 5 14.553 -21.485 8.886 42 HB3 LEU 5 3HB LEU 5 14.889 -22.812 7.776 43 HG LEU 5 HG LEU 5 14.260 -24.433 9.442 44 HD11 LEU 5 1HD1 LEU 5 14.268 -22.061 11.251 45 HD12 LEU 5 2HD1 LEU 5 14.949 -23.668 11.498 46 HD13 LEU 5 3HD1 LEU 5 13.206 -23.424 11.600 47 HD21 LEU 5 1HD2 LEU 5 12.395 -22.191 8.847 48 HD22 LEU 5 2HD2 LEU 5 11.875 -23.456 9.962 49 HD23 LEU 5 3HD2 LEU 5 12.349 -23.871 8.313 50 H ILE 6 H ILE 6 16.805 -24.223 11.050 51 HA ILE 6 HA ILE 6 17.871 -26.212 9.153 52 HB ILE 6 HB ILE 6 18.782 -25.563 11.948 53 HG12 ILE 6 2HG1 ILE 6 19.789 -24.330 10.038 54 HG13 ILE 6 3HG1 ILE 6 20.958 -25.321 10.904 55 HG21 ILE 6 1HG2 ILE 6 19.241 -28.065 10.346 56 HG22 ILE 6 2HG2 ILE 6 20.310 -27.562 11.654 57 HG23 ILE 6 3HG2 ILE 6 18.615 -27.917 11.988 58 HD11 ILE 6 1HD1 ILE 6 20.334 -25.323 8.147 59 HD12 ILE 6 2HD1 ILE 6 21.516 -26.306 9.012 60 HD13 ILE 6 3HD1 ILE 6 19.863 -26.886 8.814 61 H ILE 7 H ILE 7 16.275 -27.649 8.883 62 HA ILE 7 HA ILE 7 14.658 -28.465 11.179 63 HB ILE 7 HB ILE 7 14.319 -29.253 8.285 64 HG12 ILE 7 2HG1 ILE 7 12.852 -27.110 9.838 65 HG13 ILE 7 3HG1 ILE 7 14.125 -26.793 8.665 66 HG21 ILE 7 1HG2 ILE 7 11.978 -29.739 9.073 67 HG22 ILE 7 2HG2 ILE 7 13.226 -30.820 9.688 68 HG23 ILE 7 3HG2 ILE 7 12.577 -29.546 10.720 69 HD11 ILE 7 1HD1 ILE 7 11.454 -28.061 8.114 70 HD12 ILE 7 2HD1 ILE 7 11.978 -26.441 7.651 71 HD13 ILE 7 3HD1 ILE 7 12.741 -27.857 6.927 72 H ASN 8 H ASN 8 16.121 -29.769 12.297 73 HA ASN 8 HA ASN 8 17.519 -31.918 11.026 74 HB2 ASN 8 2HB ASN 8 18.228 -30.707 13.148 75 HB3 ASN 8 3HB ASN 8 16.985 -31.631 13.983 76 HD21 ASN 8 1HD2 ASN 8 19.376 -31.979 14.946 77 HD22 ASN 8 2HD2 ASN 8 20.076 -33.481 14.459 78 H GLY 9 H GLY 9 15.581 -32.826 9.957 79 HA2 GLY 9 2HA GLY 9 13.854 -34.381 11.754 80 HA3 GLY 9 3HA GLY 9 13.539 -34.052 10.057 81 H LYS 10 H LYS 10 13.993 -36.520 11.955 82 HA LYS 10 HA LYS 10 16.171 -37.981 11.022 83 HB2 LYS 10 2HB LYS 10 13.469 -39.046 11.866 84 HB3 LYS 10 3HB LYS 10 14.962 -39.971 11.787 85 HG2 LYS 10 2HG LYS 10 15.034 -37.541 13.454 86 HG3 LYS 10 3HG LYS 10 14.018 -38.861 14.036 87 HD2 LYS 10 2HD LYS 10 16.135 -40.312 13.480 88 HD3 LYS 10 3HD LYS 10 16.974 -38.767 13.634 89 HE2 LYS 10 2HE LYS 10 17.053 -39.752 15.774 90 HE3 LYS 10 3HE LYS 10 15.803 -38.515 15.867 91 HZ1 LYS 10 1HZ LYS 10 15.174 -41.349 15.293 92 HZ2 LYS 10 2HZ LYS 10 14.120 -40.125 15.795 93 HZ3 LYS 10 3HZ LYS 10 15.265 -40.752 16.872 94 H THR 11 H THR 11 13.160 -37.242 9.498 95 HA THR 11 HA THR 11 13.935 -38.933 7.212 96 HB THR 11 HB THR 11 12.002 -39.974 8.185 97 HG1 THR 11 HG1 THR 11 11.315 -40.190 6.204 98 HG21 THR 11 1HG2 THR 11 11.199 -38.043 9.487 99 HG22 THR 11 2HG2 THR 11 9.903 -38.793 8.553 100 HG23 THR 11 3HG2 THR 11 10.634 -37.288 7.998 101 H LEU 12 H LEU 12 12.374 -35.977 8.320 102 HA LEU 12 HA LEU 12 12.515 -34.910 5.583 103 HB2 LEU 12 2HB LEU 12 10.384 -34.948 7.236 104 HB3 LEU 12 3HB LEU 12 11.085 -33.390 7.666 105 HG LEU 12 HG LEU 12 10.137 -34.251 4.934 106 HD11 LEU 12 1HD1 LEU 12 8.402 -32.661 5.211 107 HD12 LEU 12 2HD1 LEU 12 9.117 -32.035 6.695 108 HD13 LEU 12 3HD1 LEU 12 8.418 -33.653 6.669 109 HD21 LEU 12 1HD2 LEU 12 12.063 -32.872 4.628 110 HD22 LEU 12 2HD2 LEU 12 11.506 -31.727 5.850 111 HD23 LEU 12 3HD2 LEU 12 10.637 -31.881 4.322 112 H LYS 13 H LYS 13 14.584 -34.156 5.460 113 HA LYS 13 HA LYS 13 15.379 -32.139 7.457 114 HB2 LYS 13 2HB LYS 13 16.743 -34.427 6.686 115 HB3 LYS 13 3HB LYS 13 17.529 -33.152 5.762 116 HG2 LYS 13 2HG LYS 13 18.125 -31.972 7.726 117 HG3 LYS 13 3HG LYS 13 17.088 -32.988 8.732 118 HD2 LYS 13 2HD LYS 13 19.277 -33.771 9.102 119 HD3 LYS 13 3HD LYS 13 18.550 -34.937 7.995 120 HE2 LYS 13 2HE LYS 13 20.058 -32.627 6.870 121 HE3 LYS 13 3HE LYS 13 20.960 -33.972 7.565 122 HZ1 LYS 13 1HZ LYS 13 19.446 -33.842 5.110 123 HZ2 LYS 13 2HZ LYS 13 19.177 -35.243 6.017 124 HZ3 LYS 13 3HZ LYS 13 20.746 -34.840 5.529 125 H GLY 14 H GLY 14 16.016 -30.139 6.779 126 HA2 GLY 14 2HA GLY 14 16.752 -29.508 4.115 127 HA3 GLY 14 3HA GLY 14 15.059 -29.118 4.376 128 H GLU 15 H GLU 15 15.607 -26.902 3.992 129 HA GLU 15 HA GLU 15 16.083 -25.452 6.383 130 HB2 GLU 15 2HB GLU 15 18.137 -24.247 5.557 131 HB3 GLU 15 3HB GLU 15 18.396 -25.913 6.056 132 HG2 GLU 15 2HG GLU 15 17.817 -25.412 3.194 133 HG3 GLU 15 3HG GLU 15 19.396 -24.929 3.812 134 H THR 16 H THR 16 15.831 -23.156 6.104 135 HA THR 16 HA THR 16 15.144 -22.135 3.489 136 HB THR 16 HB THR 16 13.019 -23.107 3.982 137 HG1 THR 16 HG1 THR 16 12.760 -21.055 3.155 138 HG21 THR 16 1HG2 THR 16 13.355 -23.429 6.401 139 HG22 THR 16 2HG2 THR 16 11.797 -22.686 6.046 140 HG23 THR 16 3HG2 THR 16 13.125 -21.699 6.652 141 H THR 17 H THR 17 14.977 -19.862 3.424 142 HA THR 17 HA THR 17 15.854 -18.505 5.889 143 HB THR 17 HB THR 17 17.099 -16.912 4.502 144 HG1 THR 17 HG1 THR 17 17.386 -17.571 2.227 145 HG21 THR 17 1HG2 THR 17 17.838 -19.500 5.100 146 HG22 THR 17 2HG2 THR 17 18.919 -18.222 4.547 147 HG23 THR 17 3HG2 THR 17 18.231 -19.358 3.388 148 H THR 18 H THR 18 15.229 -16.257 6.091 149 HA THR 18 HA THR 18 13.149 -15.242 4.358 150 HB THR 18 HB THR 18 11.828 -16.677 5.827 151 HG1 THR 18 HG1 THR 18 11.378 -14.051 6.767 152 HG21 THR 18 1HG2 THR 18 12.522 -15.015 8.205 153 HG22 THR 18 2HG2 THR 18 13.603 -16.330 7.743 154 HG23 THR 18 3HG2 THR 18 11.915 -16.667 8.125 155 H GLU 19 H GLU 19 13.331 -13.099 4.223 156 HA GLU 19 HA GLU 19 15.246 -11.696 5.796 157 HB2 GLU 19 2HB GLU 19 13.351 -10.978 3.603 158 HB3 GLU 19 3HB GLU 19 14.058 -9.683 4.560 159 HG2 GLU 19 2HG GLU 19 15.491 -9.881 2.750 160 HG3 GLU 19 3HG GLU 19 16.310 -10.772 4.032 161 H ALA 20 H ALA 20 14.981 -10.738 7.695 162 HA ALA 20 HA ALA 20 12.360 -9.671 8.431 163 HB1 ALA 20 1HB ALA 20 13.445 -10.891 10.760 164 HB2 ALA 20 2HB ALA 20 11.918 -11.229 9.945 165 HB3 ALA 20 3HB ALA 20 13.378 -12.096 9.473 166 H VAL 21 H VAL 21 12.686 -8.675 10.813 167 HA VAL 21 HA VAL 21 15.070 -6.961 10.599 168 HB VAL 21 HB VAL 21 13.754 -5.384 12.081 169 HG11 VAL 21 1HG1 VAL 21 13.064 -4.278 10.242 170 HG12 VAL 21 2HG1 VAL 21 13.886 -5.586 9.390 171 HG13 VAL 21 3HG1 VAL 21 12.140 -5.650 9.634 172 HG21 VAL 21 1HG2 VAL 21 11.381 -7.020 11.215 173 HG22 VAL 21 2HG2 VAL 21 12.139 -7.196 12.797 174 HG23 VAL 21 3HG2 VAL 21 11.417 -5.656 12.333 175 H ASP 22 H ASP 22 13.283 -9.103 12.672 176 HA ASP 22 HA ASP 22 15.469 -8.982 14.619 177 HB2 ASP 22 2HB ASP 22 12.543 -8.597 15.194 178 HB3 ASP 22 3HB ASP 22 13.620 -9.263 16.419 179 H ALA 23 H ALA 23 15.238 -10.846 16.237 180 HA ALA 23 HA ALA 23 15.259 -13.273 14.818 181 HB1 ALA 23 1HB ALA 23 15.012 -12.909 17.801 182 HB2 ALA 23 2HB ALA 23 15.592 -14.343 16.951 183 HB3 ALA 23 3HB ALA 23 16.528 -12.847 16.900 184 H ALA 24 H ALA 24 12.766 -11.666 16.693 185 HA ALA 24 HA ALA 24 10.990 -13.923 16.712 186 HB1 ALA 24 1HB ALA 24 9.385 -12.429 17.716 187 HB2 ALA 24 2HB ALA 24 10.960 -12.187 18.470 188 HB3 ALA 24 3HB ALA 24 10.367 -11.029 17.281 189 H THR 25 H THR 25 11.627 -11.252 14.595 190 HA THR 25 HA THR 25 9.160 -11.256 13.193 191 HB THR 25 HB THR 25 11.845 -10.373 12.126 192 HG1 THR 25 HG1 THR 25 9.951 -8.674 13.366 193 HG21 THR 25 1HG2 THR 25 10.537 -8.894 10.708 194 HG22 THR 25 2HG2 THR 25 9.043 -9.476 11.441 195 HG23 THR 25 3HG2 THR 25 10.029 -10.565 10.465 196 H ALA 26 H ALA 26 12.314 -12.751 12.522 197 HA ALA 26 HA ALA 26 11.434 -14.019 10.118 198 HB1 ALA 26 1HB ALA 26 13.578 -14.754 9.884 199 HB2 ALA 26 2HB ALA 26 13.854 -13.414 10.998 200 HB3 ALA 26 3HB ALA 26 13.779 -15.067 11.610 201 H GLU 27 H GLU 27 11.952 -15.111 13.455 202 HA GLU 27 HA GLU 27 11.476 -17.819 13.129 203 HB2 GLU 27 2HB GLU 27 12.248 -16.708 15.229 204 HB3 GLU 27 3HB GLU 27 10.603 -16.143 15.487 205 HG2 GLU 27 2HG GLU 27 9.937 -18.609 15.378 206 HG3 GLU 27 3HG GLU 27 11.658 -18.944 15.575 207 H LYS 28 H LYS 28 9.212 -15.154 13.283 208 HA LYS 28 HA LYS 28 6.842 -16.559 13.733 209 HB2 LYS 28 2HB LYS 28 7.199 -14.036 13.680 210 HB3 LYS 28 3HB LYS 28 7.074 -14.153 11.930 211 HG2 LYS 28 2HG LYS 28 4.838 -14.584 11.978 212 HG3 LYS 28 3HG LYS 28 4.905 -15.357 13.562 213 HD2 LYS 28 2HD LYS 28 5.123 -13.228 14.654 214 HD3 LYS 28 3HD LYS 28 5.272 -12.399 13.103 215 HE2 LYS 28 2HE LYS 28 2.938 -13.522 12.650 216 HE3 LYS 28 3HE LYS 28 2.865 -13.573 14.410 217 HZ1 LYS 28 1HZ LYS 28 1.862 -11.557 13.461 218 HZ2 LYS 28 2HZ LYS 28 3.364 -11.118 12.816 219 HZ3 LYS 28 3HZ LYS 28 3.156 -11.204 14.492 220 H VAL 29 H VAL 29 8.583 -15.898 10.728 221 HA VAL 29 HA VAL 29 6.588 -17.244 9.122 222 HB VAL 29 HB VAL 29 9.317 -16.219 8.327 223 HG11 VAL 29 1HG1 VAL 29 6.966 -17.181 6.708 224 HG12 VAL 29 2HG1 VAL 29 8.321 -16.275 6.030 225 HG13 VAL 29 3HG1 VAL 29 8.594 -17.860 6.755 226 HG21 VAL 29 1HG2 VAL 29 8.202 -14.262 7.496 227 HG22 VAL 29 2HG2 VAL 29 6.623 -14.924 7.919 228 HG23 VAL 29 3HG2 VAL 29 7.762 -14.477 9.191 229 H LEU 30 H LEU 30 9.922 -17.836 10.176 230 HA LEU 30 HA LEU 30 10.384 -20.214 8.809 231 HB2 LEU 30 2HB LEU 30 11.382 -19.315 11.506 232 HB3 LEU 30 3HB LEU 30 12.011 -20.709 10.632 233 HG LEU 30 HG LEU 30 12.183 -17.823 9.772 234 HD11 LEU 30 1HD1 LEU 30 14.697 -18.564 9.914 235 HD12 LEU 30 2HD1 LEU 30 14.058 -19.738 11.064 236 HD13 LEU 30 3HD1 LEU 30 13.830 -18.013 11.347 237 HD21 LEU 30 1HD2 LEU 30 12.413 -18.586 7.699 238 HD22 LEU 30 2HD2 LEU 30 12.322 -20.259 8.249 239 HD23 LEU 30 3HD2 LEU 30 13.875 -19.422 8.224 240 H LYS 31 H LYS 31 9.008 -19.717 12.047 241 HA LYS 31 HA LYS 31 8.640 -22.438 12.664 242 HB2 LYS 31 2HB LYS 31 7.303 -21.703 14.483 243 HB3 LYS 31 3HB LYS 31 8.551 -20.483 14.268 244 HG2 LYS 31 2HG LYS 31 6.863 -19.179 12.916 245 HG3 LYS 31 3HG LYS 31 5.652 -20.323 13.501 246 HD2 LYS 31 2HD LYS 31 6.562 -19.732 15.846 247 HD3 LYS 31 3HD LYS 31 7.267 -18.324 15.047 248 HE2 LYS 31 2HE LYS 31 5.252 -17.457 15.697 249 HE3 LYS 31 3HE LYS 31 4.830 -18.058 14.094 250 HZ1 LYS 31 1HZ LYS 31 3.441 -18.631 16.278 251 HZ2 LYS 31 2HZ LYS 31 4.515 -19.937 16.288 252 HZ3 LYS 31 3HZ LYS 31 3.527 -19.667 14.944 253 H GLN 32 H GLN 32 6.749 -20.175 10.803 254 HA GLN 32 HA GLN 32 4.368 -21.762 10.748 255 HB2 GLN 32 2HB GLN 32 4.411 -19.291 10.392 256 HB3 GLN 32 3HB GLN 32 5.207 -19.567 8.846 257 HG2 GLN 32 2HG GLN 32 2.745 -19.161 8.725 258 HG3 GLN 32 3HG GLN 32 3.301 -20.646 7.954 259 HE21 GLN 32 1HE2 GLN 32 2.575 -19.798 11.321 260 HE22 GLN 32 2HE2 GLN 32 1.423 -21.062 11.571 261 H TYR 33 H TYR 33 7.258 -21.522 8.802 262 HA TYR 33 HA TYR 33 6.292 -22.916 6.533 263 HB2 TYR 33 2HB TYR 33 8.358 -21.476 6.617 264 HB3 TYR 33 3HB TYR 33 9.157 -22.781 7.487 265 HD1 TYR 33 HD1 TYR 33 8.396 -21.435 4.290 266 HD2 TYR 33 HD2 TYR 33 9.214 -25.088 6.312 267 HE1 TYR 33 HE1 TYR 33 9.007 -22.478 2.147 268 HE2 TYR 33 HE2 TYR 33 9.828 -26.140 4.176 269 HH TYR 33 HH TYR 33 9.959 -24.276 1.179 270 H ALA 34 H ALA 34 7.971 -23.941 9.471 271 HA ALA 34 HA ALA 34 8.166 -26.684 8.666 272 HB1 ALA 34 1HB ALA 34 8.399 -26.602 11.438 273 HB2 ALA 34 2HB ALA 34 9.713 -26.573 10.260 274 HB3 ALA 34 3HB ALA 34 9.053 -25.061 10.883 275 H ASN 35 H ASN 35 6.050 -24.862 10.856 276 HA ASN 35 HA ASN 35 4.565 -26.966 11.887 277 HB2 ASN 35 2HB ASN 35 4.511 -24.431 12.450 278 HB3 ASN 35 3HB ASN 35 3.277 -24.342 11.196 279 HD21 ASN 35 1HD2 ASN 35 3.410 -24.169 14.273 280 HD22 ASN 35 2HD2 ASN 35 2.065 -25.132 14.773 281 H ASP 36 H ASP 36 4.126 -25.166 8.877 282 HA ASP 36 HA ASP 36 1.679 -26.213 8.073 283 HB2 ASP 36 2HB ASP 36 3.169 -24.371 6.996 284 HB3 ASP 36 3HB ASP 36 3.880 -25.706 6.093 285 H ASN 37 H ASN 37 4.838 -27.660 8.092 286 HA ASN 37 HA ASN 37 3.987 -29.889 6.425 287 HB2 ASN 37 2HB ASN 37 6.612 -29.158 7.720 288 HB3 ASN 37 3HB ASN 37 6.356 -30.704 6.916 289 HD21 ASN 37 1HD2 ASN 37 5.957 -27.227 6.358 290 HD22 ASN 37 2HD2 ASN 37 6.443 -27.263 4.700 291 H GLY 38 H GLY 38 4.131 -29.038 9.729 292 HA2 GLY 38 2HA GLY 38 3.021 -30.320 11.396 293 HA3 GLY 38 3HA GLY 38 3.324 -31.767 10.445 294 H ILE 39 H ILE 39 5.796 -29.383 11.116 295 HA ILE 39 HA ILE 39 7.362 -31.429 12.467 296 HB ILE 39 HB ILE 39 8.124 -28.618 11.668 297 HG12 ILE 39 2HG1 ILE 39 9.040 -31.183 10.382 298 HG13 ILE 39 3HG1 ILE 39 7.586 -30.348 9.844 299 HG21 ILE 39 1HG2 ILE 39 9.584 -30.815 13.044 300 HG22 ILE 39 2HG2 ILE 39 10.468 -29.780 11.924 301 HG23 ILE 39 3HG2 ILE 39 9.646 -29.074 13.316 302 HD11 ILE 39 1HD1 ILE 39 8.762 -28.583 8.976 303 HD12 ILE 39 2HD1 ILE 39 10.148 -28.844 10.035 304 HD13 ILE 39 3HD1 ILE 39 9.864 -29.925 8.669 305 H ASP 40 H ASP 40 7.812 -31.476 14.588 306 HA ASP 40 HA ASP 40 7.545 -29.139 16.255 307 HB2 ASP 40 2HB ASP 40 5.840 -30.031 17.733 308 HB3 ASP 40 3HB ASP 40 5.205 -29.947 16.093 309 H GLY 41 H GLY 41 9.021 -29.223 17.824 310 HA2 GLY 41 2HA GLY 41 9.648 -31.517 19.339 311 HA3 GLY 41 3HA GLY 41 10.842 -31.335 18.063 312 H GLU 42 H GLU 42 12.618 -30.699 19.144 313 HA GLU 42 HA GLU 42 12.413 -28.637 21.191 314 HB2 GLU 42 2HB GLU 42 14.603 -30.471 20.270 315 HB3 GLU 42 3HB GLU 42 14.974 -29.072 21.265 316 HG2 GLU 42 2HG GLU 42 13.389 -29.914 22.965 317 HG3 GLU 42 3HG GLU 42 13.152 -31.357 21.982 318 H TRP 43 H TRP 43 12.021 -26.725 20.157 319 HA TRP 43 HA TRP 43 13.600 -25.928 17.867 320 HB2 TRP 43 2HB TRP 43 11.265 -24.816 19.347 321 HB3 TRP 43 3HB TRP 43 12.263 -23.694 18.426 322 HD1 TRP 43 HD1 TRP 43 10.155 -26.891 17.875 323 HE1 TRP 43 HE1 TRP 43 9.313 -26.880 15.444 324 HE3 TRP 43 HE3 TRP 43 12.594 -22.725 16.189 325 HZ2 TRP 43 HZ2 TRP 43 9.639 -25.314 13.118 326 HZ3 TRP 43 HZ3 TRP 43 12.276 -22.039 13.847 327 HH2 TRP 43 HH2 TRP 43 10.828 -23.309 12.345 328 H THR 44 H THR 44 15.564 -25.104 18.074 329 HA THR 44 HA THR 44 16.227 -23.626 20.533 330 HB THR 44 HB THR 44 18.515 -24.229 20.247 331 HG1 THR 44 HG1 THR 44 19.010 -25.623 18.324 332 HG21 THR 44 1HG2 THR 44 18.442 -26.550 20.569 333 HG22 THR 44 2HG2 THR 44 17.075 -26.750 19.472 334 HG23 THR 44 3HG2 THR 44 16.837 -25.999 21.050 335 H TYR 45 H TYR 45 18.135 -22.038 20.102 336 HA TYR 45 HA TYR 45 18.109 -20.749 17.526 337 HB2 TYR 45 2HB TYR 45 17.194 -18.641 18.215 338 HB3 TYR 45 3HB TYR 45 16.036 -19.890 18.656 339 HD1 TYR 45 HD1 TYR 45 17.811 -17.064 19.798 340 HD2 TYR 45 HD2 TYR 45 16.230 -20.791 21.110 341 HE1 TYR 45 HE1 TYR 45 17.820 -16.244 22.117 342 HE2 TYR 45 HE2 TYR 45 16.233 -19.980 23.432 343 HH TYR 45 HH TYR 45 16.176 -17.220 24.418 344 H ASP 46 H ASP 46 19.843 -19.379 17.223 345 HA ASP 46 HA ASP 46 21.721 -19.182 19.486 346 HB2 ASP 46 2HB ASP 46 22.119 -19.977 16.656 347 HB3 ASP 46 3HB ASP 46 23.372 -18.966 17.371 348 H ASP 47 H ASP 47 22.454 -17.216 20.020 349 HA ASP 47 HA ASP 47 21.446 -14.933 18.523 350 HB2 ASP 47 2HB ASP 47 21.213 -15.030 20.999 351 HB3 ASP 47 3HB ASP 47 22.969 -14.988 21.137 352 H ALA 48 H ALA 48 24.408 -16.623 19.093 353 HA ALA 48 HA ALA 48 26.099 -14.464 18.182 354 HB1 ALA 48 1HB ALA 48 26.494 -16.800 19.665 355 HB2 ALA 48 2HB ALA 48 27.397 -17.031 18.168 356 HB3 ALA 48 3HB ALA 48 27.712 -15.620 19.180 357 H THR 49 H THR 49 24.920 -17.555 16.916 358 HA THR 49 HA THR 49 26.188 -17.044 14.341 359 HB THR 49 HB THR 49 25.591 -19.264 13.719 360 HG1 THR 49 HG1 THR 49 24.165 -20.512 15.015 361 HG21 THR 49 1HG2 THR 49 26.082 -19.974 16.513 362 HG22 THR 49 2HG2 THR 49 27.173 -18.734 15.896 363 HG23 THR 49 3HG2 THR 49 27.055 -20.291 15.078 364 H LYS 50 H LYS 50 23.173 -16.608 15.879 365 HA LYS 50 HA LYS 50 21.143 -15.867 15.172 366 HB2 LYS 50 2HB LYS 50 22.956 -14.906 12.981 367 HB3 LYS 50 3HB LYS 50 21.219 -14.652 12.872 368 HG2 LYS 50 2HG LYS 50 22.977 -13.703 15.126 369 HG3 LYS 50 3HG LYS 50 22.395 -12.708 13.788 370 HD2 LYS 50 2HD LYS 50 20.047 -13.552 14.570 371 HD3 LYS 50 3HD LYS 50 20.886 -13.874 16.089 372 HE2 LYS 50 2HE LYS 50 20.777 -11.220 14.657 373 HE3 LYS 50 3HE LYS 50 19.838 -11.660 16.082 374 HZ1 LYS 50 1HZ LYS 50 22.757 -11.239 15.871 375 HZ2 LYS 50 2HZ LYS 50 22.074 -12.082 17.170 376 HZ3 LYS 50 3HZ LYS 50 21.653 -10.467 16.895 377 H THR 51 H THR 51 21.632 -18.575 14.760 378 HA THR 51 HA THR 51 20.063 -19.065 12.318 379 HB THR 51 HB THR 51 22.298 -20.799 13.386 380 HG1 THR 51 HG1 THR 51 23.445 -20.051 11.706 381 HG21 THR 51 1HG2 THR 51 20.210 -21.243 11.287 382 HG22 THR 51 2HG2 THR 51 20.803 -22.349 12.524 383 HG23 THR 51 3HG2 THR 51 21.803 -21.982 11.119 384 H PHE 52 H PHE 52 18.461 -20.613 12.445 385 HA PHE 52 HA PHE 52 17.779 -21.467 15.170 386 HB2 PHE 52 2HB PHE 52 16.131 -20.968 12.704 387 HB3 PHE 52 3HB PHE 52 15.495 -21.916 14.045 388 HD1 PHE 52 HD1 PHE 52 14.765 -20.884 16.047 389 HD2 PHE 52 HD2 PHE 52 16.725 -18.592 13.044 390 HE1 PHE 52 HE1 PHE 52 14.097 -18.814 17.197 391 HE2 PHE 52 HE2 PHE 52 16.062 -16.518 14.189 392 HZ PHE 52 HZ PHE 52 14.747 -16.628 16.269 393 H THR 53 H THR 53 17.260 -23.590 15.643 394 HA THR 53 HA THR 53 17.437 -25.599 13.541 395 HB THR 53 HB THR 53 19.242 -25.759 15.960 396 HG1 THR 53 HG1 THR 53 20.220 -25.512 13.340 397 HG21 THR 53 1HG2 THR 53 20.071 -27.460 13.872 398 HG22 THR 53 2HG2 THR 53 18.331 -27.690 14.047 399 HG23 THR 53 3HG2 THR 53 19.394 -27.917 15.434 400 H VAL 54 H VAL 54 15.974 -27.144 13.867 401 HA VAL 54 HA VAL 54 14.881 -27.474 16.586 402 HB VAL 54 HB VAL 54 13.205 -26.553 15.098 403 HG11 VAL 54 1HG1 VAL 54 12.790 -28.767 13.323 404 HG12 VAL 54 2HG1 VAL 54 13.089 -27.070 12.940 405 HG13 VAL 54 3HG1 VAL 54 14.444 -28.175 13.166 406 HG21 VAL 54 1HG2 VAL 54 12.564 -28.259 16.797 407 HG22 VAL 54 2HG2 VAL 54 11.456 -28.159 15.428 408 HG23 VAL 54 3HG2 VAL 54 12.622 -29.480 15.526 409 H THR 55 H THR 55 15.184 -29.384 17.512 410 HA THR 55 HA THR 55 16.128 -31.616 15.868 411 HB THR 55 HB THR 55 16.046 -31.672 18.867 412 HG1 THR 55 HG1 THR 55 17.853 -30.458 18.985 413 HG21 THR 55 1HG2 THR 55 18.174 -32.978 18.444 414 HG22 THR 55 2HG2 THR 55 17.759 -32.931 16.731 415 HG23 THR 55 3HG2 THR 55 16.685 -33.731 17.877 416 H GLU 56 H GLU 56 14.601 -32.956 15.163 417 HA GLU 56 HA GLU 56 12.145 -33.320 16.683 418 HB2 GLU 56 2HB GLU 56 13.028 -33.887 13.899 419 HB3 GLU 56 3HB GLU 56 11.768 -34.913 14.572 420 HG2 GLU 56 2HG GLU 56 10.609 -32.699 15.198 421 HG3 GLU 56 3HG GLU 56 11.714 -31.974 14.032 Start of MODEL 7 1 H1 MET 1 H MET 1 16.975 -8.413 7.884 2 HA MET 1 HA MET 1 19.741 -8.914 7.187 3 HB2 MET 1 2HB MET 1 18.645 -9.501 9.936 4 HB3 MET 1 3HB MET 1 20.080 -10.285 9.291 5 HG2 MET 1 2HG MET 1 20.953 -7.896 8.915 6 HG3 MET 1 3HG MET 1 19.671 -7.415 10.023 7 HE1 MET 1 1HE MET 1 22.979 -7.708 9.644 8 HE2 MET 1 2HE MET 1 23.717 -8.214 11.164 9 HE3 MET 1 3HE MET 1 23.294 -9.417 9.944 10 H THR 2 H THR 2 20.202 -11.294 7.143 11 HA THR 2 HA THR 2 17.805 -12.709 6.205 12 HB THR 2 HB THR 2 20.596 -13.693 5.719 13 HG1 THR 2 HG1 THR 2 19.348 -11.444 4.597 14 HG21 THR 2 1HG2 THR 2 17.926 -13.945 4.366 15 HG22 THR 2 2HG2 THR 2 18.973 -15.220 4.985 16 HG23 THR 2 3HG2 THR 2 19.425 -14.338 3.527 17 H PHE 3 H PHE 3 17.296 -14.767 6.912 18 HA PHE 3 HA PHE 3 18.865 -15.802 9.177 19 HB2 PHE 3 2HB PHE 3 15.977 -15.140 9.030 20 HB3 PHE 3 3HB PHE 3 16.397 -16.635 9.858 21 HD1 PHE 3 HD1 PHE 3 16.204 -13.076 10.091 22 HD2 PHE 3 HD2 PHE 3 18.066 -16.520 11.760 23 HE1 PHE 3 HE1 PHE 3 16.752 -11.792 12.116 24 HE2 PHE 3 HE2 PHE 3 18.617 -15.243 13.788 25 HZ PHE 3 HZ PHE 3 17.960 -12.877 13.970 26 H LYS 4 H LYS 4 18.621 -18.100 9.565 27 HA LYS 4 HA LYS 4 17.694 -19.608 7.216 28 HB2 LYS 4 2HB LYS 4 20.311 -19.237 7.656 29 HB3 LYS 4 3HB LYS 4 20.059 -20.632 8.694 30 HG2 LYS 4 2HG LYS 4 19.062 -21.815 6.739 31 HG3 LYS 4 3HG LYS 4 19.541 -20.444 5.736 32 HD2 LYS 4 2HD LYS 4 21.858 -20.821 6.218 33 HD3 LYS 4 3HD LYS 4 21.460 -22.047 7.423 34 HE2 LYS 4 2HE LYS 4 22.087 -23.281 5.541 35 HE3 LYS 4 3HE LYS 4 20.325 -23.298 5.495 36 HZ1 LYS 4 1HZ LYS 4 20.807 -22.743 3.351 37 HZ2 LYS 4 2HZ LYS 4 22.215 -21.898 3.748 38 HZ3 LYS 4 3HZ LYS 4 20.703 -21.192 4.020 39 H LEU 5 H LEU 5 16.790 -21.613 7.616 40 HA LEU 5 HA LEU 5 16.317 -22.237 10.457 41 HB2 LEU 5 2HB LEU 5 14.396 -21.511 8.843 42 HB3 LEU 5 3HB LEU 5 14.512 -23.173 8.269 43 HG LEU 5 HG LEU 5 13.950 -22.374 11.124 44 HD11 LEU 5 1HD1 LEU 5 11.864 -23.716 9.568 45 HD12 LEU 5 2HD1 LEU 5 12.234 -22.076 9.033 46 HD13 LEU 5 3HD1 LEU 5 11.751 -22.371 10.703 47 HD21 LEU 5 1HD2 LEU 5 13.076 -24.928 10.791 48 HD22 LEU 5 2HD2 LEU 5 14.639 -24.480 11.475 49 HD23 LEU 5 3HD2 LEU 5 14.515 -24.913 9.770 50 H ILE 6 H ILE 6 16.896 -24.188 11.190 51 HA ILE 6 HA ILE 6 17.800 -26.177 9.214 52 HB ILE 6 HB ILE 6 18.772 -25.592 12.002 53 HG12 ILE 6 2HG1 ILE 6 19.734 -24.318 10.095 54 HG13 ILE 6 3HG1 ILE 6 20.922 -25.320 10.918 55 HG21 ILE 6 1HG2 ILE 6 20.288 -27.582 11.647 56 HG22 ILE 6 2HG2 ILE 6 18.596 -27.950 11.981 57 HG23 ILE 6 3HG2 ILE 6 19.211 -28.054 10.332 58 HD11 ILE 6 1HD1 ILE 6 19.782 -26.841 8.813 59 HD12 ILE 6 2HD1 ILE 6 20.259 -25.267 8.177 60 HD13 ILE 6 3HD1 ILE 6 21.444 -26.280 9.001 61 H ILE 7 H ILE 7 16.167 -27.578 8.941 62 HA ILE 7 HA ILE 7 14.605 -28.458 11.246 63 HB ILE 7 HB ILE 7 14.233 -29.171 8.336 64 HG12 ILE 7 2HG1 ILE 7 12.818 -27.084 10.010 65 HG13 ILE 7 3HG1 ILE 7 13.982 -26.749 8.735 66 HG21 ILE 7 1HG2 ILE 7 11.958 -29.808 9.079 67 HG22 ILE 7 2HG2 ILE 7 13.229 -30.797 9.797 68 HG23 ILE 7 3HG2 ILE 7 12.460 -29.527 10.746 69 HD11 ILE 7 1HD1 ILE 7 11.990 -28.408 7.627 70 HD12 ILE 7 2HD1 ILE 7 11.177 -27.134 8.536 71 HD13 ILE 7 3HD1 ILE 7 12.333 -26.715 7.271 72 H ASN 8 H ASN 8 16.086 -29.777 12.321 73 HA ASN 8 HA ASN 8 17.481 -31.895 11.001 74 HB2 ASN 8 2HB ASN 8 18.252 -30.768 13.111 75 HB3 ASN 8 3HB ASN 8 16.952 -31.595 13.963 76 HD21 ASN 8 1HD2 ASN 8 19.538 -31.942 14.732 77 HD22 ASN 8 2HD2 ASN 8 20.055 -33.546 14.355 78 H GLY 9 H GLY 9 15.564 -32.804 9.914 79 HA2 GLY 9 2HA GLY 9 13.821 -34.380 11.672 80 HA3 GLY 9 3HA GLY 9 13.538 -34.050 9.970 81 H LYS 10 H LYS 10 13.971 -36.518 11.876 82 HA LYS 10 HA LYS 10 16.158 -37.916 10.677 83 HB2 LYS 10 2HB LYS 10 15.370 -39.841 11.939 84 HB3 LYS 10 3HB LYS 10 15.372 -38.408 12.960 85 HG2 LYS 10 2HG LYS 10 13.345 -39.251 13.525 86 HG3 LYS 10 3HG LYS 10 12.859 -38.270 12.140 87 HD2 LYS 10 2HD LYS 10 12.497 -40.089 10.805 88 HD3 LYS 10 3HD LYS 10 13.712 -41.071 11.628 89 HE2 LYS 10 2HE LYS 10 12.230 -41.375 13.518 90 HE3 LYS 10 3HE LYS 10 11.036 -40.303 12.790 91 HZ1 LYS 10 1HZ LYS 10 10.551 -41.854 11.134 92 HZ2 LYS 10 2HZ LYS 10 10.674 -42.786 12.540 93 HZ3 LYS 10 3HZ LYS 10 11.947 -42.763 11.427 94 H THR 11 H THR 11 12.795 -37.517 9.951 95 HA THR 11 HA THR 11 12.922 -39.648 7.932 96 HB THR 11 HB THR 11 11.017 -39.763 9.491 97 HG1 THR 11 HG1 THR 11 10.417 -40.638 7.609 98 HG21 THR 11 1HG2 THR 11 9.336 -38.098 9.601 99 HG22 THR 11 2HG2 THR 11 10.006 -37.225 8.222 100 HG23 THR 11 3HG2 THR 11 10.869 -37.243 9.761 101 H LEU 12 H LEU 12 12.658 -36.216 8.361 102 HA LEU 12 HA LEU 12 13.024 -35.813 5.519 103 HB2 LEU 12 2HB LEU 12 10.486 -35.886 6.199 104 HB3 LEU 12 3HB LEU 12 10.812 -34.245 6.755 105 HG LEU 12 HG LEU 12 11.188 -35.247 3.933 106 HD11 LEU 12 1HD1 LEU 12 8.814 -34.798 5.096 107 HD12 LEU 12 2HD1 LEU 12 9.143 -34.457 3.398 108 HD13 LEU 12 3HD1 LEU 12 9.213 -33.157 4.586 109 HD21 LEU 12 1HD2 LEU 12 11.295 -32.690 3.569 110 HD22 LEU 12 2HD2 LEU 12 12.730 -33.529 4.159 111 HD23 LEU 12 3HD2 LEU 12 11.711 -32.627 5.282 112 H LYS 13 H LYS 13 14.722 -34.507 5.478 113 HA LYS 13 HA LYS 13 14.923 -32.377 7.498 114 HB2 LYS 13 2HB LYS 13 16.748 -34.234 7.157 115 HB3 LYS 13 3HB LYS 13 17.233 -33.232 5.797 116 HG2 LYS 13 2HG LYS 13 17.274 -31.309 7.506 117 HG3 LYS 13 3HG LYS 13 17.280 -32.592 8.718 118 HD2 LYS 13 2HD LYS 13 19.541 -32.209 8.406 119 HD3 LYS 13 3HD LYS 13 19.240 -33.556 7.305 120 HE2 LYS 13 2HE LYS 13 19.383 -32.224 5.424 121 HE3 LYS 13 3HE LYS 13 18.989 -30.752 6.311 122 HZ1 LYS 13 1HZ LYS 13 21.314 -30.798 5.670 123 HZ2 LYS 13 2HZ LYS 13 21.544 -32.253 6.502 124 HZ3 LYS 13 3HZ LYS 13 21.166 -30.841 7.356 125 H GLY 14 H GLY 14 15.663 -30.291 6.838 126 HA2 GLY 14 2HA GLY 14 16.052 -29.586 4.117 127 HA3 GLY 14 3HA GLY 14 14.397 -29.243 4.598 128 H GLU 15 H GLU 15 15.338 -27.045 3.924 129 HA GLU 15 HA GLU 15 15.905 -25.599 6.362 130 HB2 GLU 15 2HB GLU 15 17.890 -24.456 5.469 131 HB3 GLU 15 3HB GLU 15 18.159 -26.184 5.648 132 HG2 GLU 15 2HG GLU 15 19.104 -25.730 3.596 133 HG3 GLU 15 3HG GLU 15 17.499 -26.318 3.161 134 H THR 16 H THR 16 15.823 -23.234 6.025 135 HA THR 16 HA THR 16 14.729 -22.261 3.539 136 HB THR 16 HB THR 16 12.708 -23.191 4.553 137 HG1 THR 16 HG1 THR 16 11.998 -21.454 3.544 138 HG21 THR 16 1HG2 THR 16 13.569 -21.534 6.905 139 HG22 THR 16 2HG2 THR 16 13.089 -23.231 6.860 140 HG23 THR 16 3HG2 THR 16 11.876 -21.966 6.663 141 H THR 17 H THR 17 14.227 -19.896 3.679 142 HA THR 17 HA THR 17 15.588 -18.515 5.867 143 HB THR 17 HB THR 17 16.965 -17.175 4.429 144 HG1 THR 17 HG1 THR 17 16.857 -17.298 2.221 145 HG21 THR 17 1HG2 THR 17 17.587 -19.651 5.022 146 HG22 THR 17 2HG2 THR 17 18.584 -18.733 3.894 147 HG23 THR 17 3HG2 THR 17 17.412 -19.900 3.286 148 H THR 18 H THR 18 15.172 -16.186 5.878 149 HA THR 18 HA THR 18 13.189 -15.055 4.163 150 HB THR 18 HB THR 18 11.594 -16.322 5.385 151 HG1 THR 18 HG1 THR 18 10.690 -14.365 5.264 152 HG21 THR 18 1HG2 THR 18 12.868 -15.302 7.928 153 HG22 THR 18 2HG2 THR 18 13.055 -16.932 7.279 154 HG23 THR 18 3HG2 THR 18 11.471 -16.371 7.814 155 H GLU 19 H GLU 19 13.592 -12.946 4.080 156 HA GLU 19 HA GLU 19 15.452 -11.717 5.845 157 HB2 GLU 19 2HB GLU 19 13.801 -10.815 3.525 158 HB3 GLU 19 3HB GLU 19 14.516 -9.596 4.571 159 HG2 GLU 19 2HG GLU 19 16.700 -10.275 4.060 160 HG3 GLU 19 3HG GLU 19 16.151 -11.798 3.361 161 H ALA 20 H ALA 20 15.130 -10.624 7.674 162 HA ALA 20 HA ALA 20 12.509 -9.474 8.249 163 HB1 ALA 20 1HB ALA 20 13.094 -11.945 9.244 164 HB2 ALA 20 2HB ALA 20 13.616 -10.891 10.559 165 HB3 ALA 20 3HB ALA 20 11.957 -10.806 9.964 166 H VAL 21 H VAL 21 12.611 -8.233 10.397 167 HA VAL 21 HA VAL 21 15.022 -6.601 10.328 168 HB VAL 21 HB VAL 21 13.766 -5.067 11.814 169 HG11 VAL 21 1HG1 VAL 21 12.041 -5.773 9.460 170 HG12 VAL 21 2HG1 VAL 21 12.402 -4.180 10.129 171 HG13 VAL 21 3HG1 VAL 21 13.648 -5.076 9.258 172 HG21 VAL 21 1HG2 VAL 21 11.138 -5.978 11.540 173 HG22 VAL 21 2HG2 VAL 21 12.066 -7.379 12.077 174 HG23 VAL 21 3HG2 VAL 21 12.089 -5.890 13.023 175 H ASP 22 H ASP 22 13.342 -8.821 12.438 176 HA ASP 22 HA ASP 22 15.652 -8.805 14.232 177 HB2 ASP 22 2HB ASP 22 12.828 -8.175 14.993 178 HB3 ASP 22 3HB ASP 22 13.844 -9.055 16.134 179 H ALA 23 H ALA 23 15.679 -10.703 15.682 180 HA ALA 23 HA ALA 23 15.351 -13.090 14.290 181 HB1 ALA 23 1HB ALA 23 15.259 -13.271 17.233 182 HB2 ALA 23 2HB ALA 23 16.318 -14.077 16.075 183 HB3 ALA 23 3HB ALA 23 16.636 -12.407 16.548 184 H ALA 24 H ALA 24 13.189 -11.449 16.528 185 HA ALA 24 HA ALA 24 11.327 -13.597 16.759 186 HB1 ALA 24 1HB ALA 24 9.902 -12.025 17.880 187 HB2 ALA 24 2HB ALA 24 11.561 -11.769 18.423 188 HB3 ALA 24 3HB ALA 24 10.835 -10.665 17.254 189 H THR 25 H THR 25 11.796 -10.994 14.501 190 HA THR 25 HA THR 25 9.197 -11.019 13.354 191 HB THR 25 HB THR 25 11.796 -10.127 12.091 192 HG1 THR 25 HG1 THR 25 9.837 -8.663 13.560 193 HG21 THR 25 1HG2 THR 25 10.009 -10.456 10.455 194 HG22 THR 25 2HG2 THR 25 10.355 -8.739 10.667 195 HG23 THR 25 3HG2 THR 25 8.929 -9.451 11.422 196 H ALA 26 H ALA 26 12.266 -12.555 12.439 197 HA ALA 26 HA ALA 26 11.109 -13.891 10.171 198 HB1 ALA 26 1HB ALA 26 13.688 -13.283 10.999 199 HB2 ALA 26 2HB ALA 26 13.596 -15.042 11.096 200 HB3 ALA 26 3HB ALA 26 13.228 -14.222 9.579 201 H GLU 27 H GLU 27 12.062 -14.810 13.456 202 HA GLU 27 HA GLU 27 11.730 -17.547 13.324 203 HB2 GLU 27 2HB GLU 27 12.602 -16.349 15.294 204 HB3 GLU 27 3HB GLU 27 10.988 -15.738 15.631 205 HG2 GLU 27 2HG GLU 27 10.218 -18.081 15.899 206 HG3 GLU 27 3HG GLU 27 11.889 -18.607 15.709 207 H LYS 28 H LYS 28 9.313 -15.035 13.426 208 HA LYS 28 HA LYS 28 7.087 -16.595 14.153 209 HB2 LYS 28 2HB LYS 28 7.268 -14.048 14.012 210 HB3 LYS 28 3HB LYS 28 6.983 -14.231 12.287 211 HG2 LYS 28 2HG LYS 28 4.908 -15.624 13.129 212 HG3 LYS 28 3HG LYS 28 5.132 -14.632 14.572 213 HD2 LYS 28 2HD LYS 28 4.781 -12.636 13.387 214 HD3 LYS 28 3HD LYS 28 5.018 -13.423 11.825 215 HE2 LYS 28 2HE LYS 28 2.692 -13.054 12.031 216 HE3 LYS 28 3HE LYS 28 2.944 -14.773 12.330 217 HZ1 LYS 28 1HZ LYS 28 2.014 -12.699 14.126 218 HZ2 LYS 28 2HZ LYS 28 3.121 -13.785 14.801 219 HZ3 LYS 28 3HZ LYS 28 1.682 -14.357 14.121 220 H VAL 29 H VAL 29 8.430 -15.769 10.974 221 HA VAL 29 HA VAL 29 6.460 -17.339 9.572 222 HB VAL 29 HB VAL 29 9.009 -16.068 8.562 223 HG11 VAL 29 1HG1 VAL 29 7.171 -17.907 7.336 224 HG12 VAL 29 2HG1 VAL 29 7.151 -16.359 6.489 225 HG13 VAL 29 3HG1 VAL 29 8.670 -17.230 6.699 226 HG21 VAL 29 1HG2 VAL 29 7.575 -14.343 9.317 227 HG22 VAL 29 2HG2 VAL 29 7.372 -14.418 7.567 228 HG23 VAL 29 3HG2 VAL 29 6.153 -15.124 8.626 229 H LEU 30 H LEU 30 9.772 -17.737 10.662 230 HA LEU 30 HA LEU 30 10.396 -20.051 9.176 231 HB2 LEU 30 2HB LEU 30 11.442 -19.033 11.810 232 HB3 LEU 30 3HB LEU 30 12.121 -20.417 10.955 233 HG LEU 30 HG LEU 30 12.045 -17.584 9.921 234 HD11 LEU 30 1HD1 LEU 30 14.472 -17.640 10.267 235 HD12 LEU 30 2HD1 LEU 30 14.321 -19.226 11.023 236 HD13 LEU 30 3HD1 LEU 30 13.586 -17.814 11.782 237 HD21 LEU 30 1HD2 LEU 30 12.109 -18.774 7.979 238 HD22 LEU 30 2HD2 LEU 30 12.835 -20.190 8.738 239 HD23 LEU 30 3HD2 LEU 30 13.829 -18.779 8.371 240 H LYS 31 H LYS 31 9.389 -19.724 12.582 241 HA LYS 31 HA LYS 31 9.183 -22.412 13.202 242 HB2 LYS 31 2HB LYS 31 7.848 -21.773 15.059 243 HB3 LYS 31 3HB LYS 31 8.959 -20.440 14.774 244 HG2 LYS 31 2HG LYS 31 7.204 -19.195 13.645 245 HG3 LYS 31 3HG LYS 31 6.087 -20.542 13.876 246 HD2 LYS 31 2HD LYS 31 5.667 -18.873 15.563 247 HD3 LYS 31 3HD LYS 31 6.379 -20.296 16.328 248 HE2 LYS 31 2HE LYS 31 8.551 -19.213 16.373 249 HE3 LYS 31 3HE LYS 31 7.892 -17.810 15.531 250 HZ1 LYS 31 1HZ LYS 31 8.058 -18.109 18.225 251 HZ2 LYS 31 2HZ LYS 31 6.436 -18.473 17.911 252 HZ3 LYS 31 3HZ LYS 31 7.080 -16.989 17.419 253 H GLN 32 H GLN 32 6.996 -20.374 11.398 254 HA GLN 32 HA GLN 32 4.793 -22.198 11.452 255 HB2 GLN 32 2HB GLN 32 4.859 -19.618 10.953 256 HB3 GLN 32 3HB GLN 32 5.136 -20.147 9.299 257 HG2 GLN 32 2HG GLN 32 2.832 -19.839 9.445 258 HG3 GLN 32 3HG GLN 32 3.056 -21.583 9.581 259 HE21 GLN 32 1HE2 GLN 32 2.138 -22.583 11.233 260 HE22 GLN 32 2HE2 GLN 32 1.487 -21.818 12.639 261 H TYR 33 H TYR 33 7.439 -21.524 9.220 262 HA TYR 33 HA TYR 33 6.636 -22.966 7.009 263 HB2 TYR 33 2HB TYR 33 8.677 -21.575 7.106 264 HB3 TYR 33 3HB TYR 33 9.445 -22.789 8.119 265 HD1 TYR 33 HD1 TYR 33 9.899 -25.069 7.158 266 HD2 TYR 33 HD2 TYR 33 8.646 -21.791 4.751 267 HE1 TYR 33 HE1 TYR 33 10.701 -26.244 5.151 268 HE2 TYR 33 HE2 TYR 33 9.444 -22.957 2.737 269 HH TYR 33 HH TYR 33 11.213 -25.990 2.951 270 H ALA 34 H ALA 34 8.537 -24.168 9.773 271 HA ALA 34 HA ALA 34 8.622 -26.852 8.913 272 HB1 ALA 34 1HB ALA 34 9.940 -27.123 10.687 273 HB2 ALA 34 2HB ALA 34 9.737 -25.396 10.979 274 HB3 ALA 34 3HB ALA 34 8.692 -26.556 11.798 275 H ASN 35 H ASN 35 6.479 -25.177 11.203 276 HA ASN 35 HA ASN 35 4.972 -27.314 12.083 277 HB2 ASN 35 2HB ASN 35 4.666 -25.160 13.086 278 HB3 ASN 35 3HB ASN 35 4.159 -24.453 11.554 279 HD21 ASN 35 1HD2 ASN 35 2.301 -23.731 12.757 280 HD22 ASN 35 2HD2 ASN 35 0.971 -24.806 12.998 281 H ASP 36 H ASP 36 4.250 -25.207 9.298 282 HA ASP 36 HA ASP 36 1.974 -26.527 8.404 283 HB2 ASP 36 2HB ASP 36 3.089 -24.307 7.603 284 HB3 ASP 36 3HB ASP 36 3.932 -25.349 6.459 285 H ASN 37 H ASN 37 5.371 -27.243 7.856 286 HA ASN 37 HA ASN 37 4.879 -29.267 5.888 287 HB2 ASN 37 2HB ASN 37 7.295 -28.407 7.462 288 HB3 ASN 37 3HB ASN 37 7.334 -29.860 6.466 289 HD21 ASN 37 1HD2 ASN 37 5.747 -26.746 5.926 290 HD22 ASN 37 2HD2 ASN 37 6.579 -26.381 4.456 291 H GLY 38 H GLY 38 4.726 -29.137 9.293 292 HA2 GLY 38 2HA GLY 38 3.726 -30.896 10.549 293 HA3 GLY 38 3HA GLY 38 4.337 -32.045 9.367 294 H ILE 39 H ILE 39 6.427 -29.555 10.568 295 HA ILE 39 HA ILE 39 7.832 -31.573 12.195 296 HB ILE 39 HB ILE 39 9.039 -29.283 10.636 297 HG12 ILE 39 2HG1 ILE 39 10.228 -31.407 9.598 298 HG13 ILE 39 3HG1 ILE 39 8.767 -32.218 10.148 299 HG21 ILE 39 1HG2 ILE 39 11.097 -30.911 11.394 300 HG22 ILE 39 2HG2 ILE 39 10.642 -29.408 12.193 301 HG23 ILE 39 3HG2 ILE 39 10.051 -30.949 12.813 302 HD11 ILE 39 1HD1 ILE 39 7.607 -31.436 8.434 303 HD12 ILE 39 2HD1 ILE 39 8.141 -29.784 8.739 304 HD13 ILE 39 3HD1 ILE 39 9.132 -30.863 7.759 305 H ASP 40 H ASP 40 7.716 -31.149 14.289 306 HA ASP 40 HA ASP 40 8.317 -28.518 15.301 307 HB2 ASP 40 2HB ASP 40 6.194 -28.482 16.707 308 HB3 ASP 40 3HB ASP 40 6.005 -28.106 14.997 309 H GLY 41 H GLY 41 9.533 -28.764 17.055 310 HA2 GLY 41 2HA GLY 41 8.925 -30.616 19.134 311 HA3 GLY 41 3HA GLY 41 10.255 -31.199 18.146 312 H GLU 42 H GLU 42 12.099 -30.867 19.192 313 HA GLU 42 HA GLU 42 12.436 -28.813 21.136 314 HB2 GLU 42 2HB GLU 42 13.617 -31.120 20.943 315 HB3 GLU 42 3HB GLU 42 14.719 -30.286 19.857 316 HG2 GLU 42 2HG GLU 42 15.111 -28.624 21.696 317 HG3 GLU 42 3HG GLU 42 14.201 -29.697 22.758 318 H TRP 43 H TRP 43 12.127 -26.817 20.191 319 HA TRP 43 HA TRP 43 13.699 -26.062 17.869 320 HB2 TRP 43 2HB TRP 43 11.467 -24.831 19.422 321 HB3 TRP 43 3HB TRP 43 12.516 -23.769 18.485 322 HD1 TRP 43 HD1 TRP 43 9.961 -26.595 18.045 323 HE1 TRP 43 HE1 TRP 43 9.144 -26.584 15.604 324 HE3 TRP 43 HE3 TRP 43 13.162 -23.098 16.133 325 HZ2 TRP 43 HZ2 TRP 43 9.773 -25.267 13.188 326 HZ3 TRP 43 HZ3 TRP 43 12.989 -22.519 13.748 327 HH2 TRP 43 HH2 TRP 43 11.330 -23.583 12.307 328 H THR 44 H THR 44 15.602 -25.066 17.950 329 HA THR 44 HA THR 44 16.371 -23.688 20.437 330 HB THR 44 HB THR 44 18.591 -24.546 20.335 331 HG1 THR 44 HG1 THR 44 18.973 -24.607 18.132 332 HG21 THR 44 1HG2 THR 44 16.915 -26.954 19.679 333 HG22 THR 44 2HG2 THR 44 16.706 -26.060 21.185 334 HG23 THR 44 3HG2 THR 44 18.254 -26.821 20.819 335 H TYR 45 H TYR 45 17.177 -21.694 20.185 336 HA TYR 45 HA TYR 45 17.884 -20.837 17.454 337 HB2 TYR 45 2HB TYR 45 17.029 -18.630 17.989 338 HB3 TYR 45 3HB TYR 45 15.779 -19.830 18.292 339 HD1 TYR 45 HD1 TYR 45 18.083 -17.432 19.827 340 HD2 TYR 45 HD2 TYR 45 15.034 -20.310 20.552 341 HE1 TYR 45 HE1 TYR 45 17.825 -16.574 22.119 342 HE2 TYR 45 HE2 TYR 45 14.767 -19.459 22.844 343 HH TYR 45 HH TYR 45 15.419 -17.958 24.338 344 H ASP 46 H ASP 46 19.652 -19.486 17.184 345 HA ASP 46 HA ASP 46 21.423 -19.266 19.528 346 HB2 ASP 46 2HB ASP 46 21.898 -20.123 16.753 347 HB3 ASP 46 3HB ASP 46 23.094 -18.993 17.382 348 H ASP 47 H ASP 47 22.148 -17.310 20.109 349 HA ASP 47 HA ASP 47 21.186 -15.005 18.616 350 HB2 ASP 47 2HB ASP 47 20.862 -15.104 21.065 351 HB3 ASP 47 3HB ASP 47 22.610 -15.133 21.283 352 H ALA 48 H ALA 48 24.131 -16.706 19.251 353 HA ALA 48 HA ALA 48 25.852 -14.537 18.424 354 HB1 ALA 48 1HB ALA 48 27.313 -16.920 18.363 355 HB2 ALA 48 2HB ALA 48 27.278 -15.715 19.651 356 HB3 ALA 48 3HB ALA 48 26.178 -17.092 19.702 357 H THR 49 H THR 49 24.603 -17.542 17.048 358 HA THR 49 HA THR 49 25.971 -16.998 14.522 359 HB THR 49 HB THR 49 25.403 -19.207 13.840 360 HG1 THR 49 HG1 THR 49 23.802 -20.365 14.741 361 HG21 THR 49 1HG2 THR 49 25.931 -19.546 16.781 362 HG22 THR 49 2HG2 THR 49 27.149 -18.884 15.691 363 HG23 THR 49 3HG2 THR 49 26.529 -20.514 15.434 364 H LYS 50 H LYS 50 22.931 -16.590 16.008 365 HA LYS 50 HA LYS 50 20.913 -15.842 15.273 366 HB2 LYS 50 2HB LYS 50 22.761 -14.857 13.123 367 HB3 LYS 50 3HB LYS 50 21.026 -14.603 12.988 368 HG2 LYS 50 2HG LYS 50 22.739 -13.680 15.289 369 HG3 LYS 50 3HG LYS 50 22.194 -12.669 13.947 370 HD2 LYS 50 2HD LYS 50 19.831 -13.317 14.605 371 HD3 LYS 50 3HD LYS 50 20.528 -13.988 16.082 372 HE2 LYS 50 2HE LYS 50 20.730 -11.127 15.145 373 HE3 LYS 50 3HE LYS 50 19.722 -11.724 16.462 374 HZ1 LYS 50 1HZ LYS 50 22.662 -11.487 16.354 375 HZ2 LYS 50 2HZ LYS 50 21.918 -12.543 17.445 376 HZ3 LYS 50 3HZ LYS 50 21.592 -10.887 17.519 377 H THR 51 H THR 51 21.416 -18.545 14.837 378 HA THR 51 HA THR 51 19.809 -19.011 12.420 379 HB THR 51 HB THR 51 22.178 -20.678 13.288 380 HG1 THR 51 HG1 THR 51 21.781 -19.265 10.850 381 HG21 THR 51 1HG2 THR 51 20.387 -22.090 12.428 382 HG22 THR 51 2HG2 THR 51 21.712 -22.006 11.268 383 HG23 THR 51 3HG2 THR 51 20.246 -21.066 11.000 384 H PHE 52 H PHE 52 18.256 -20.585 12.577 385 HA PHE 52 HA PHE 52 17.739 -21.576 15.283 386 HB2 PHE 52 2HB PHE 52 15.940 -21.423 12.855 387 HB3 PHE 52 3HB PHE 52 15.452 -22.041 14.429 388 HD1 PHE 52 HD1 PHE 52 15.315 -20.512 16.365 389 HD2 PHE 52 HD2 PHE 52 16.063 -19.097 12.422 390 HE1 PHE 52 HE1 PHE 52 14.700 -18.236 17.071 391 HE2 PHE 52 HE2 PHE 52 15.450 -16.819 13.121 392 HZ PHE 52 HZ PHE 52 14.769 -16.386 15.447 393 H THR 53 H THR 53 17.108 -23.762 15.644 394 HA THR 53 HA THR 53 17.495 -25.707 13.536 395 HB THR 53 HB THR 53 19.309 -25.782 15.956 396 HG1 THR 53 HG1 THR 53 20.266 -25.531 13.329 397 HG21 THR 53 1HG2 THR 53 19.459 -27.957 15.463 398 HG22 THR 53 2HG2 THR 53 20.261 -27.481 13.967 399 HG23 THR 53 3HG2 THR 53 18.519 -27.753 13.984 400 H VAL 54 H VAL 54 15.688 -26.849 13.813 401 HA VAL 54 HA VAL 54 14.766 -27.463 16.524 402 HB VAL 54 HB VAL 54 13.118 -26.504 14.973 403 HG11 VAL 54 1HG1 VAL 54 13.442 -29.048 13.389 404 HG12 VAL 54 2HG1 VAL 54 12.338 -27.717 13.043 405 HG13 VAL 54 3HG1 VAL 54 14.080 -27.478 12.907 406 HG21 VAL 54 1HG2 VAL 54 12.291 -27.904 16.740 407 HG22 VAL 54 2HG2 VAL 54 11.360 -28.238 15.279 408 HG23 VAL 54 3HG2 VAL 54 12.617 -29.360 15.799 409 H THR 55 H THR 55 14.873 -29.449 17.372 410 HA THR 55 HA THR 55 15.892 -31.612 15.661 411 HB THR 55 HB THR 55 15.904 -31.620 18.674 412 HG1 THR 55 HG1 THR 55 17.783 -30.502 16.858 413 HG21 THR 55 1HG2 THR 55 16.332 -33.778 17.849 414 HG22 THR 55 2HG2 THR 55 17.931 -33.106 18.167 415 HG23 THR 55 3HG2 THR 55 17.314 -33.168 16.518 416 H GLU 56 H GLU 56 14.396 -32.997 14.991 417 HA GLU 56 HA GLU 56 11.944 -33.360 16.517 418 HB2 GLU 56 2HB GLU 56 12.828 -33.937 13.739 419 HB3 GLU 56 3HB GLU 56 11.593 -34.986 14.418 420 HG2 GLU 56 2HG GLU 56 10.498 -32.672 15.073 421 HG3 GLU 56 3HG GLU 56 11.460 -32.115 13.705 Start of MODEL 8 1 H1 MET 1 H MET 1 16.752 -8.391 8.220 2 HA MET 1 HA MET 1 19.631 -9.003 8.231 3 HB2 MET 1 2HB MET 1 17.665 -9.130 10.490 4 HB3 MET 1 3HB MET 1 19.034 -10.233 10.458 5 HG2 MET 1 2HG MET 1 20.517 -8.220 10.241 6 HG3 MET 1 3HG MET 1 19.093 -7.231 10.556 7 HE1 MET 1 1HE MET 1 17.897 -7.047 12.938 8 HE2 MET 1 2HE MET 1 19.115 -6.892 14.203 9 HE3 MET 1 3HE MET 1 19.342 -6.077 12.654 10 H THR 2 H THR 2 20.048 -10.817 7.174 11 HA THR 2 HA THR 2 17.941 -12.609 6.397 12 HB THR 2 HB THR 2 20.908 -13.011 5.999 13 HG1 THR 2 HG1 THR 2 20.247 -12.068 3.836 14 HG21 THR 2 1HG2 THR 2 20.105 -14.970 5.218 15 HG22 THR 2 2HG2 THR 2 19.646 -14.013 3.811 16 HG23 THR 2 3HG2 THR 2 18.461 -14.354 5.071 17 H PHE 3 H PHE 3 17.409 -14.535 7.249 18 HA PHE 3 HA PHE 3 19.157 -15.656 9.335 19 HB2 PHE 3 2HB PHE 3 16.290 -14.925 9.464 20 HB3 PHE 3 3HB PHE 3 16.726 -16.470 10.189 21 HD1 PHE 3 HD1 PHE 3 16.713 -12.910 10.569 22 HD2 PHE 3 HD2 PHE 3 18.512 -16.504 11.968 23 HE1 PHE 3 HE1 PHE 3 17.472 -11.738 12.595 24 HE2 PHE 3 HE2 PHE 3 19.273 -15.339 13.995 25 HZ PHE 3 HZ PHE 3 18.753 -12.952 14.312 26 H LYS 4 H LYS 4 19.087 -17.931 9.589 27 HA LYS 4 HA LYS 4 17.951 -19.358 7.274 28 HB2 LYS 4 2HB LYS 4 20.602 -19.108 7.806 29 HB3 LYS 4 3HB LYS 4 20.238 -20.590 8.680 30 HG2 LYS 4 2HG LYS 4 19.068 -21.260 6.432 31 HG3 LYS 4 3HG LYS 4 20.148 -20.038 5.756 32 HD2 LYS 4 2HD LYS 4 21.295 -22.066 7.608 33 HD3 LYS 4 3HD LYS 4 20.880 -22.571 5.969 34 HE2 LYS 4 2HE LYS 4 22.425 -21.142 5.001 35 HE3 LYS 4 3HE LYS 4 22.479 -20.082 6.407 36 HZ1 LYS 4 1HZ LYS 4 24.388 -21.159 6.808 37 HZ2 LYS 4 2HZ LYS 4 23.979 -22.494 5.853 38 HZ3 LYS 4 3HZ LYS 4 23.393 -22.376 7.436 39 H LEU 5 H LEU 5 16.976 -21.342 7.622 40 HA LEU 5 HA LEU 5 16.443 -21.993 10.445 41 HB2 LEU 5 2HB LEU 5 14.466 -21.246 9.255 42 HB3 LEU 5 3HB LEU 5 14.740 -22.453 8.000 43 HG LEU 5 HG LEU 5 14.247 -24.237 9.567 44 HD11 LEU 5 1HD1 LEU 5 15.149 -23.100 11.575 45 HD12 LEU 5 2HD1 LEU 5 13.563 -23.825 11.831 46 HD13 LEU 5 3HD1 LEU 5 13.708 -22.083 11.603 47 HD21 LEU 5 1HD2 LEU 5 12.215 -23.846 8.717 48 HD22 LEU 5 2HD2 LEU 5 12.359 -22.101 8.921 49 HD23 LEU 5 3HD2 LEU 5 11.861 -23.110 10.279 50 H ILE 6 H ILE 6 16.824 -24.013 11.175 51 HA ILE 6 HA ILE 6 17.708 -26.022 9.207 52 HB ILE 6 HB ILE 6 18.858 -25.375 11.912 53 HG12 ILE 6 2HG1 ILE 6 19.733 -24.182 9.915 54 HG13 ILE 6 3HG1 ILE 6 20.947 -25.195 10.689 55 HG21 ILE 6 1HG2 ILE 6 18.621 -27.733 11.968 56 HG22 ILE 6 2HG2 ILE 6 19.157 -27.895 10.298 57 HG23 ILE 6 3HG2 ILE 6 20.303 -27.409 11.546 58 HD11 ILE 6 1HD1 ILE 6 19.410 -25.821 8.180 59 HD12 ILE 6 2HD1 ILE 6 21.120 -25.407 8.308 60 HD13 ILE 6 3HD1 ILE 6 20.527 -26.926 8.980 61 H ILE 7 H ILE 7 16.164 -27.516 9.083 62 HA ILE 7 HA ILE 7 14.728 -28.294 11.523 63 HB ILE 7 HB ILE 7 14.049 -28.968 8.658 64 HG12 ILE 7 2HG1 ILE 7 12.793 -26.892 10.464 65 HG13 ILE 7 3HG1 ILE 7 13.928 -26.529 9.168 66 HG21 ILE 7 1HG2 ILE 7 11.790 -29.082 10.317 67 HG22 ILE 7 2HG2 ILE 7 12.634 -30.426 9.554 68 HG23 ILE 7 3HG2 ILE 7 13.076 -29.920 11.185 69 HD11 ILE 7 1HD1 ILE 7 11.418 -28.038 8.593 70 HD12 ILE 7 2HD1 ILE 7 11.399 -26.281 8.744 71 HD13 ILE 7 3HD1 ILE 7 12.404 -27.049 7.516 72 H ASN 8 H ASN 8 16.271 -29.662 12.436 73 HA ASN 8 HA ASN 8 17.507 -31.781 10.990 74 HB2 ASN 8 2HB ASN 8 18.461 -30.766 13.056 75 HB3 ASN 8 3HB ASN 8 17.157 -31.504 13.983 76 HD21 ASN 8 1HD2 ASN 8 19.734 -32.033 14.627 77 HD22 ASN 8 2HD2 ASN 8 20.126 -33.665 14.222 78 H GLY 9 H GLY 9 15.664 -32.764 9.967 79 HA2 GLY 9 2HA GLY 9 13.957 -34.331 11.790 80 HA3 GLY 9 3HA GLY 9 13.551 -33.916 10.131 81 H LYS 10 H LYS 10 14.197 -36.457 11.941 82 HA LYS 10 HA LYS 10 16.225 -37.816 10.472 83 HB2 LYS 10 2HB LYS 10 14.066 -39.060 12.178 84 HB3 LYS 10 3HB LYS 10 15.625 -39.756 11.758 85 HG2 LYS 10 2HG LYS 10 16.589 -37.674 12.979 86 HG3 LYS 10 3HG LYS 10 14.983 -37.591 13.709 87 HD2 LYS 10 2HD LYS 10 16.446 -40.193 13.692 88 HD3 LYS 10 3HD LYS 10 16.905 -38.953 14.861 89 HE2 LYS 10 2HE LYS 10 14.772 -38.954 15.854 90 HE3 LYS 10 3HE LYS 10 14.054 -39.829 14.502 91 HZ1 LYS 10 1HZ LYS 10 14.682 -41.033 16.728 92 HZ2 LYS 10 2HZ LYS 10 16.204 -41.133 16.000 93 HZ3 LYS 10 3HZ LYS 10 14.855 -41.812 15.236 94 H THR 11 H THR 11 12.804 -37.402 10.097 95 HA THR 11 HA THR 11 12.718 -39.467 8.011 96 HB THR 11 HB THR 11 10.954 -39.543 9.754 97 HG1 THR 11 HG1 THR 11 9.621 -40.237 8.252 98 HG21 THR 11 1HG2 THR 11 10.747 -37.141 10.175 99 HG22 THR 11 2HG2 THR 11 9.187 -37.843 9.747 100 HG23 THR 11 3HG2 THR 11 10.092 -36.907 8.556 101 H LEU 12 H LEU 12 12.565 -36.039 8.534 102 HA LEU 12 HA LEU 12 12.712 -35.575 5.685 103 HB2 LEU 12 2HB LEU 12 10.229 -35.628 6.577 104 HB3 LEU 12 3HB LEU 12 10.627 -33.994 7.102 105 HG LEU 12 HG LEU 12 9.472 -33.973 4.962 106 HD11 LEU 12 1HD1 LEU 12 12.386 -33.246 4.692 107 HD12 LEU 12 2HD1 LEU 12 11.134 -32.241 5.423 108 HD13 LEU 12 3HD1 LEU 12 11.061 -32.626 3.704 109 HD21 LEU 12 1HD2 LEU 12 11.056 -36.236 4.430 110 HD22 LEU 12 2HD2 LEU 12 11.542 -34.998 3.271 111 HD23 LEU 12 3HD2 LEU 12 9.851 -35.486 3.384 112 H LYS 13 H LYS 13 14.425 -34.295 5.549 113 HA LYS 13 HA LYS 13 14.807 -32.217 7.597 114 HB2 LYS 13 2HB LYS 13 16.575 -34.089 7.033 115 HB3 LYS 13 3HB LYS 13 16.968 -33.020 5.691 116 HG2 LYS 13 2HG LYS 13 17.397 -31.202 7.275 117 HG3 LYS 13 3HG LYS 13 17.025 -32.290 8.614 118 HD2 LYS 13 2HD LYS 13 19.352 -32.347 8.500 119 HD3 LYS 13 3HD LYS 13 18.863 -33.796 7.618 120 HE2 LYS 13 2HE LYS 13 19.216 -31.267 6.094 121 HE3 LYS 13 3HE LYS 13 20.658 -32.114 6.648 122 HZ1 LYS 13 1HZ LYS 13 19.006 -32.712 4.451 123 HZ2 LYS 13 2HZ LYS 13 18.955 -34.012 5.533 124 HZ3 LYS 13 3HZ LYS 13 20.441 -33.472 4.931 125 H GLY 14 H GLY 14 15.566 -30.125 6.919 126 HA2 GLY 14 2HA GLY 14 15.741 -29.338 4.213 127 HA3 GLY 14 3HA GLY 14 14.118 -29.015 4.804 128 H GLU 15 H GLU 15 14.951 -26.787 4.167 129 HA GLU 15 HA GLU 15 15.535 -25.353 6.564 130 HB2 GLU 15 2HB GLU 15 17.629 -24.298 5.779 131 HB3 GLU 15 3HB GLU 15 17.808 -26.023 6.067 132 HG2 GLU 15 2HG GLU 15 17.194 -25.019 3.324 133 HG3 GLU 15 3HG GLU 15 18.840 -24.953 3.947 134 H THR 16 H THR 16 15.497 -23.017 6.238 135 HA THR 16 HA THR 16 14.713 -21.999 3.652 136 HB THR 16 HB THR 16 12.559 -22.820 4.305 137 HG1 THR 16 HG1 THR 16 12.559 -20.057 4.980 138 HG21 THR 16 1HG2 THR 16 11.512 -21.954 6.452 139 HG22 THR 16 2HG2 THR 16 13.139 -21.480 6.939 140 HG23 THR 16 3HG2 THR 16 12.769 -23.177 6.636 141 H THR 17 H THR 17 14.488 -19.669 3.633 142 HA THR 17 HA THR 17 15.613 -18.337 6.004 143 HB THR 17 HB THR 17 17.047 -16.958 4.643 144 HG1 THR 17 HG1 THR 17 16.364 -18.445 2.337 145 HG21 THR 17 1HG2 THR 17 18.533 -18.726 3.625 146 HG22 THR 17 2HG2 THR 17 17.288 -19.903 4.046 147 HG23 THR 17 3HG2 THR 17 18.100 -18.985 5.314 148 H THR 18 H THR 18 14.923 -16.237 6.384 149 HA THR 18 HA THR 18 13.026 -15.031 4.522 150 HB THR 18 HB THR 18 11.544 -16.302 5.925 151 HG1 THR 18 HG1 THR 18 11.466 -13.674 6.993 152 HG21 THR 18 1HG2 THR 18 13.475 -15.824 7.922 153 HG22 THR 18 2HG2 THR 18 12.001 -16.783 8.054 154 HG23 THR 18 3HG2 THR 18 11.980 -15.071 8.479 155 H GLU 19 H GLU 19 13.609 -12.986 4.262 156 HA GLU 19 HA GLU 19 15.422 -11.690 6.055 157 HB2 GLU 19 2HB GLU 19 15.030 -11.409 3.448 158 HB3 GLU 19 3HB GLU 19 13.918 -10.158 3.985 159 HG2 GLU 19 2HG GLU 19 15.846 -9.223 5.335 160 HG3 GLU 19 3HG GLU 19 16.881 -10.320 4.422 161 H ALA 20 H ALA 20 14.737 -11.026 7.986 162 HA ALA 20 HA ALA 20 12.241 -9.463 8.102 163 HB1 ALA 20 1HB ALA 20 11.540 -10.495 10.028 164 HB2 ALA 20 2HB ALA 20 12.327 -11.840 9.203 165 HB3 ALA 20 3HB ALA 20 13.171 -10.983 10.491 166 H VAL 21 H VAL 21 12.204 -8.174 10.274 167 HA VAL 21 HA VAL 21 14.589 -6.528 10.260 168 HB VAL 21 HB VAL 21 13.325 -5.024 11.737 169 HG11 VAL 21 1HG1 VAL 21 13.072 -4.725 9.363 170 HG12 VAL 21 2HG1 VAL 21 11.830 -5.976 9.297 171 HG13 VAL 21 3HG1 VAL 21 11.512 -4.460 10.141 172 HG21 VAL 21 1HG2 VAL 21 10.743 -5.858 11.756 173 HG22 VAL 21 2HG2 VAL 21 11.595 -7.388 11.962 174 HG23 VAL 21 3HG2 VAL 21 11.868 -6.066 13.097 175 H ASP 22 H ASP 22 13.114 -8.941 12.257 176 HA ASP 22 HA ASP 22 15.417 -8.887 14.027 177 HB2 ASP 22 2HB ASP 22 12.588 -8.562 15.048 178 HB3 ASP 22 3HB ASP 22 13.976 -8.941 16.066 179 H ALA 23 H ALA 23 15.470 -10.797 15.470 180 HA ALA 23 HA ALA 23 15.103 -13.170 14.083 181 HB1 ALA 23 1HB ALA 23 16.393 -13.874 15.742 182 HB2 ALA 23 2HB ALA 23 16.075 -12.389 16.642 183 HB3 ALA 23 3HB ALA 23 15.015 -13.785 16.842 184 H ALA 24 H ALA 24 12.970 -11.548 16.369 185 HA ALA 24 HA ALA 24 11.093 -13.673 16.590 186 HB1 ALA 24 1HB ALA 24 11.301 -11.889 18.270 187 HB2 ALA 24 2HB ALA 24 10.676 -10.730 17.095 188 HB3 ALA 24 3HB ALA 24 9.652 -12.046 17.664 189 H THR 25 H THR 25 11.413 -10.894 14.459 190 HA THR 25 HA THR 25 8.846 -11.099 13.264 191 HB THR 25 HB THR 25 11.324 -9.908 12.011 192 HG1 THR 25 HG1 THR 25 10.493 -9.181 14.258 193 HG21 THR 25 1HG2 THR 25 9.984 -9.084 10.413 194 HG22 THR 25 2HG2 THR 25 8.742 -8.620 11.577 195 HG23 THR 25 3HG2 THR 25 8.803 -10.272 10.962 196 H ALA 26 H ALA 26 11.998 -12.477 12.512 197 HA ALA 26 HA ALA 26 11.106 -13.639 10.028 198 HB1 ALA 26 1HB ALA 26 13.559 -14.692 11.262 199 HB2 ALA 26 2HB ALA 26 13.278 -14.077 9.632 200 HB3 ALA 26 3HB ALA 26 13.550 -12.954 10.964 201 H GLU 27 H GLU 27 11.877 -14.827 13.285 202 HA GLU 27 HA GLU 27 11.544 -17.542 12.873 203 HB2 GLU 27 2HB GLU 27 12.396 -16.744 14.968 204 HB3 GLU 27 3HB GLU 27 10.917 -15.849 15.291 205 HG2 GLU 27 2HG GLU 27 9.683 -17.878 15.597 206 HG3 GLU 27 3HG GLU 27 11.064 -18.846 15.087 207 H LYS 28 H LYS 28 9.131 -15.035 13.263 208 HA LYS 28 HA LYS 28 6.868 -16.513 13.823 209 HB2 LYS 28 2HB LYS 28 6.881 -14.068 13.742 210 HB3 LYS 28 3HB LYS 28 7.113 -14.112 12.000 211 HG2 LYS 28 2HG LYS 28 4.840 -13.662 12.300 212 HG3 LYS 28 3HG LYS 28 4.911 -15.378 11.894 213 HD2 LYS 28 2HD LYS 28 3.455 -15.372 13.689 214 HD3 LYS 28 3HD LYS 28 4.999 -15.706 14.477 215 HE2 LYS 28 2HE LYS 28 4.144 -14.051 15.831 216 HE3 LYS 28 3HE LYS 28 5.119 -13.109 14.701 217 HZ1 LYS 28 1HZ LYS 28 2.710 -13.252 13.472 218 HZ2 LYS 28 2HZ LYS 28 3.264 -11.941 14.385 219 HZ3 LYS 28 3HZ LYS 28 2.275 -13.113 15.101 220 H VAL 29 H VAL 29 8.522 -16.075 10.750 221 HA VAL 29 HA VAL 29 6.491 -17.555 9.297 222 HB VAL 29 HB VAL 29 9.160 -16.514 8.340 223 HG11 VAL 29 1HG1 VAL 29 7.829 -16.698 6.100 224 HG12 VAL 29 2HG1 VAL 29 8.616 -18.122 6.782 225 HG13 VAL 29 3HG1 VAL 29 6.880 -17.890 6.991 226 HG21 VAL 29 1HG2 VAL 29 7.937 -14.609 8.903 227 HG22 VAL 29 2HG2 VAL 29 7.608 -14.822 7.184 228 HG23 VAL 29 3HG2 VAL 29 6.409 -15.318 8.378 229 H LEU 30 H LEU 30 9.711 -18.049 10.596 230 HA LEU 30 HA LEU 30 10.360 -20.437 9.283 231 HB2 LEU 30 2HB LEU 30 11.124 -19.578 12.071 232 HB3 LEU 30 3HB LEU 30 11.929 -20.819 11.111 233 HG LEU 30 HG LEU 30 11.886 -17.850 10.581 234 HD11 LEU 30 1HD1 LEU 30 14.479 -18.974 10.668 235 HD12 LEU 30 2HD1 LEU 30 13.603 -19.540 12.089 236 HD13 LEU 30 3HD1 LEU 30 13.750 -17.811 11.775 237 HD21 LEU 30 1HD2 LEU 30 12.825 -20.154 8.904 238 HD22 LEU 30 2HD2 LEU 30 13.529 -18.546 8.745 239 HD23 LEU 30 3HD2 LEU 30 11.808 -18.790 8.442 240 H LYS 31 H LYS 31 8.862 -19.943 12.477 241 HA LYS 31 HA LYS 31 8.498 -22.603 13.173 242 HB2 LYS 31 2HB LYS 31 6.823 -21.842 14.726 243 HB3 LYS 31 3HB LYS 31 8.111 -20.646 14.666 244 HG2 LYS 31 2HG LYS 31 6.747 -19.266 13.167 245 HG3 LYS 31 3HG LYS 31 5.449 -20.456 13.273 246 HD2 LYS 31 2HD LYS 31 4.994 -18.640 14.797 247 HD3 LYS 31 3HD LYS 31 5.373 -20.096 15.721 248 HE2 LYS 31 2HE LYS 31 7.561 -19.311 16.216 249 HE3 LYS 31 3HE LYS 31 7.416 -17.986 15.062 250 HZ1 LYS 31 1HZ LYS 31 6.155 -18.272 17.712 251 HZ2 LYS 31 2HZ LYS 31 5.469 -17.258 16.544 252 HZ3 LYS 31 3HZ LYS 31 7.045 -16.974 17.092 253 H GLN 32 H GLN 32 6.652 -20.583 10.995 254 HA GLN 32 HA GLN 32 4.432 -22.376 10.770 255 HB2 GLN 32 2HB GLN 32 4.560 -19.825 10.250 256 HB3 GLN 32 3HB GLN 32 5.152 -20.348 8.678 257 HG2 GLN 32 2HG GLN 32 2.730 -19.909 8.710 258 HG3 GLN 32 3HG GLN 32 3.129 -21.566 8.258 259 HE21 GLN 32 1HE2 GLN 32 2.432 -23.227 9.502 260 HE22 GLN 32 2HE2 GLN 32 1.426 -23.038 10.892 261 H TYR 33 H TYR 33 7.425 -21.844 9.003 262 HA TYR 33 HA TYR 33 6.906 -23.334 6.713 263 HB2 TYR 33 2HB TYR 33 8.933 -21.894 7.186 264 HB3 TYR 33 3HB TYR 33 9.574 -23.237 8.125 265 HD1 TYR 33 HD1 TYR 33 9.174 -21.834 4.847 266 HD2 TYR 33 HD2 TYR 33 9.974 -25.447 6.945 267 HE1 TYR 33 HE1 TYR 33 10.112 -22.811 2.795 268 HE2 TYR 33 HE2 TYR 33 10.917 -26.433 4.900 269 HH TYR 33 HH TYR 33 12.039 -25.049 2.537 270 H ALA 34 H ALA 34 8.348 -24.411 9.783 271 HA ALA 34 HA ALA 34 8.554 -27.135 9.018 272 HB1 ALA 34 1HB ALA 34 8.303 -26.581 11.890 273 HB2 ALA 34 2HB ALA 34 9.573 -27.424 10.999 274 HB3 ALA 34 3HB ALA 34 9.559 -25.662 11.060 275 H ASN 35 H ASN 35 6.250 -25.432 11.138 276 HA ASN 35 HA ASN 35 4.625 -27.555 11.816 277 HB2 ASN 35 2HB ASN 35 4.517 -25.127 12.623 278 HB3 ASN 35 3HB ASN 35 3.530 -24.814 11.199 279 HD21 ASN 35 1HD2 ASN 35 2.972 -24.776 14.135 280 HD22 ASN 35 2HD2 ASN 35 1.572 -25.771 14.326 281 H ASP 36 H ASP 36 4.246 -25.360 9.036 282 HA ASP 36 HA ASP 36 1.984 -26.525 7.920 283 HB2 ASP 36 2HB ASP 36 3.035 -24.363 7.211 284 HB3 ASP 36 3HB ASP 36 4.276 -25.296 6.378 285 H ASN 37 H ASN 37 5.315 -27.546 7.834 286 HA ASN 37 HA ASN 37 4.829 -29.533 5.779 287 HB2 ASN 37 2HB ASN 37 7.244 -28.694 7.363 288 HB3 ASN 37 3HB ASN 37 7.257 -30.178 6.415 289 HD21 ASN 37 1HD2 ASN 37 5.765 -27.043 5.746 290 HD22 ASN 37 2HD2 ASN 37 6.630 -26.748 4.280 291 H GLY 38 H GLY 38 4.639 -29.298 9.177 292 HA2 GLY 38 2HA GLY 38 3.571 -30.987 10.471 293 HA3 GLY 38 3HA GLY 38 4.155 -32.189 9.331 294 H ILE 39 H ILE 39 6.267 -29.706 10.550 295 HA ILE 39 HA ILE 39 7.628 -31.741 12.194 296 HB ILE 39 HB ILE 39 8.882 -29.450 10.677 297 HG12 ILE 39 2HG1 ILE 39 10.033 -31.812 9.823 298 HG13 ILE 39 3HG1 ILE 39 8.340 -32.250 10.020 299 HG21 ILE 39 1HG2 ILE 39 10.942 -31.020 11.421 300 HG22 ILE 39 2HG2 ILE 39 10.397 -29.617 12.336 301 HG23 ILE 39 3HG2 ILE 39 9.867 -31.232 12.803 302 HD11 ILE 39 1HD1 ILE 39 9.601 -30.764 7.929 303 HD12 ILE 39 2HD1 ILE 39 7.949 -31.373 8.032 304 HD13 ILE 39 3HD1 ILE 39 8.347 -29.786 8.693 305 H ASP 40 H ASP 40 7.690 -31.317 14.292 306 HA ASP 40 HA ASP 40 8.132 -28.646 15.281 307 HB2 ASP 40 2HB ASP 40 5.611 -28.883 14.877 308 HB3 ASP 40 3HB ASP 40 5.623 -30.028 16.215 309 H GLY 41 H GLY 41 9.392 -28.763 17.023 310 HA2 GLY 41 2HA GLY 41 9.051 -30.736 19.064 311 HA3 GLY 41 3HA GLY 41 10.441 -31.091 18.048 312 H GLU 42 H GLU 42 12.179 -30.602 19.229 313 HA GLU 42 HA GLU 42 12.214 -28.465 21.128 314 HB2 GLU 42 2HB GLU 42 13.549 -30.595 21.303 315 HB3 GLU 42 3HB GLU 42 14.583 -29.975 20.021 316 HG2 GLU 42 2HG GLU 42 15.444 -29.663 22.349 317 HG3 GLU 42 3HG GLU 42 15.355 -28.198 21.372 318 H TRP 43 H TRP 43 12.039 -26.450 20.333 319 HA TRP 43 HA TRP 43 13.513 -25.684 17.942 320 HB2 TRP 43 2HB TRP 43 11.338 -24.448 19.580 321 HB3 TRP 43 3HB TRP 43 12.341 -23.405 18.577 322 HD1 TRP 43 HD1 TRP 43 9.799 -26.272 18.295 323 HE1 TRP 43 HE1 TRP 43 8.854 -26.287 15.901 324 HE3 TRP 43 HE3 TRP 43 12.828 -22.723 16.203 325 HZ2 TRP 43 HZ2 TRP 43 9.328 -24.968 13.450 326 HZ3 TRP 43 HZ3 TRP 43 12.517 -22.158 13.829 327 HH2 TRP 43 HH2 TRP 43 10.803 -23.259 12.482 328 H THR 44 H THR 44 15.522 -24.962 18.087 329 HA THR 44 HA THR 44 16.357 -23.594 20.560 330 HB THR 44 HB THR 44 18.373 -24.732 18.675 331 HG1 THR 44 HG1 THR 44 17.306 -26.377 20.699 332 HG21 THR 44 1HG2 THR 44 19.566 -23.838 20.371 333 HG22 THR 44 2HG2 THR 44 19.149 -25.335 21.206 334 HG23 THR 44 3HG2 THR 44 18.200 -23.875 21.485 335 H TYR 45 H TYR 45 18.069 -21.947 20.276 336 HA TYR 45 HA TYR 45 18.257 -20.722 17.650 337 HB2 TYR 45 2HB TYR 45 17.445 -18.544 18.392 338 HB3 TYR 45 3HB TYR 45 16.189 -19.761 18.593 339 HD1 TYR 45 HD1 TYR 45 15.392 -20.375 20.780 340 HD2 TYR 45 HD2 TYR 45 18.583 -17.592 20.349 341 HE1 TYR 45 HE1 TYR 45 15.149 -19.739 23.142 342 HE2 TYR 45 HE2 TYR 45 18.348 -16.950 22.711 343 HH TYR 45 HH TYR 45 16.582 -16.990 24.463 344 H ASP 46 H ASP 46 20.136 -19.646 17.363 345 HA ASP 46 HA ASP 46 21.874 -19.339 19.724 346 HB2 ASP 46 2HB ASP 46 22.493 -21.049 17.888 347 HB3 ASP 46 3HB ASP 46 22.895 -19.639 16.909 348 H ASP 47 H ASP 47 22.823 -17.411 20.098 349 HA ASP 47 HA ASP 47 21.961 -15.169 18.452 350 HB2 ASP 47 2HB ASP 47 21.917 -15.285 21.049 351 HB3 ASP 47 3HB ASP 47 23.637 -14.921 20.933 352 H ALA 48 H ALA 48 24.807 -17.021 19.126 353 HA ALA 48 HA ALA 48 26.686 -15.085 18.159 354 HB1 ALA 48 1HB ALA 48 27.247 -18.022 18.283 355 HB2 ALA 48 2HB ALA 48 28.332 -16.663 18.578 356 HB3 ALA 48 3HB ALA 48 27.092 -17.073 19.762 357 H THR 49 H THR 49 25.457 -18.165 16.844 358 HA THR 49 HA THR 49 26.574 -17.573 14.241 359 HB THR 49 HB THR 49 25.784 -19.740 13.557 360 HG1 THR 49 HG1 THR 49 24.587 -20.260 16.043 361 HG21 THR 49 1HG2 THR 49 27.452 -19.331 15.824 362 HG22 THR 49 2HG2 THR 49 27.505 -20.642 14.645 363 HG23 THR 49 3HG2 THR 49 26.512 -20.798 16.094 364 H LYS 50 H LYS 50 23.653 -17.006 15.886 365 HA LYS 50 HA LYS 50 21.641 -16.143 15.267 366 HB2 LYS 50 2HB LYS 50 23.416 -15.262 13.011 367 HB3 LYS 50 3HB LYS 50 21.694 -14.905 12.981 368 HG2 LYS 50 2HG LYS 50 23.602 -14.089 15.164 369 HG3 LYS 50 3HG LYS 50 23.023 -13.046 13.865 370 HD2 LYS 50 2HD LYS 50 20.668 -13.676 14.713 371 HD3 LYS 50 3HD LYS 50 21.503 -14.208 16.175 372 HE2 LYS 50 2HE LYS 50 21.819 -11.461 14.982 373 HE3 LYS 50 3HE LYS 50 20.624 -11.848 16.219 374 HZ1 LYS 50 1HZ LYS 50 23.407 -11.334 16.505 375 HZ2 LYS 50 2HZ LYS 50 23.001 -12.833 17.175 376 HZ3 LYS 50 3HZ LYS 50 22.207 -11.434 17.695 377 H THR 51 H THR 51 21.907 -18.857 14.841 378 HA THR 51 HA THR 51 20.216 -19.231 12.462 379 HB THR 51 HB THR 51 22.420 -21.092 13.371 380 HG1 THR 51 HG1 THR 51 22.100 -19.417 11.092 381 HG21 THR 51 1HG2 THR 51 20.135 -21.422 11.497 382 HG22 THR 51 2HG2 THR 51 20.922 -22.607 12.538 383 HG23 THR 51 3HG2 THR 51 21.687 -22.112 11.029 384 H PHE 52 H PHE 52 18.552 -20.705 12.655 385 HA PHE 52 HA PHE 52 17.997 -21.597 15.398 386 HB2 PHE 52 2HB PHE 52 16.136 -21.127 13.061 387 HB3 PHE 52 3HB PHE 52 15.628 -21.761 14.623 388 HD1 PHE 52 HD1 PHE 52 16.728 -18.809 12.787 389 HD2 PHE 52 HD2 PHE 52 15.559 -20.338 16.584 390 HE1 PHE 52 HE1 PHE 52 16.433 -16.511 13.618 391 HE2 PHE 52 HE2 PHE 52 15.262 -18.043 17.420 392 HZ PHE 52 HZ PHE 52 15.699 -16.127 15.936 393 H THR 53 H THR 53 17.732 -23.704 15.880 394 HA THR 53 HA THR 53 17.663 -25.638 13.664 395 HB THR 53 HB THR 53 19.364 -25.863 16.155 396 HG1 THR 53 HG1 THR 53 20.375 -25.979 13.539 397 HG21 THR 53 1HG2 THR 53 18.705 -27.809 13.965 398 HG22 THR 53 2HG2 THR 53 18.685 -28.056 15.711 399 HG23 THR 53 3HG2 THR 53 20.222 -27.920 14.858 400 H VAL 54 H VAL 54 16.088 -27.097 13.835 401 HA VAL 54 HA VAL 54 14.752 -27.397 16.443 402 HB VAL 54 HB VAL 54 13.569 -27.988 13.729 403 HG11 VAL 54 1HG1 VAL 54 11.467 -27.574 15.306 404 HG12 VAL 54 2HG1 VAL 54 12.223 -29.160 15.139 405 HG13 VAL 54 3HG1 VAL 54 12.604 -28.142 16.528 406 HG21 VAL 54 1HG2 VAL 54 13.344 -25.515 15.437 407 HG22 VAL 54 2HG2 VAL 54 14.021 -25.632 13.813 408 HG23 VAL 54 3HG2 VAL 54 12.293 -25.875 14.068 409 H THR 55 H THR 55 15.402 -29.196 17.427 410 HA THR 55 HA THR 55 16.199 -31.528 15.882 411 HB THR 55 HB THR 55 16.137 -31.315 18.890 412 HG1 THR 55 HG1 THR 55 17.453 -29.650 18.327 413 HG21 THR 55 1HG2 THR 55 18.124 -32.899 18.558 414 HG22 THR 55 2HG2 THR 55 17.550 -33.070 16.899 415 HG23 THR 55 3HG2 THR 55 16.514 -33.543 18.245 416 H GLU 56 H GLU 56 14.526 -32.694 15.138 417 HA GLU 56 HA GLU 56 12.053 -32.956 16.549 418 HB2 GLU 56 2HB GLU 56 13.190 -33.949 13.998 419 HB3 GLU 56 3HB GLU 56 11.902 -34.914 14.706 420 HG2 GLU 56 2HG GLU 56 10.779 -32.499 14.905 421 HG3 GLU 56 3HG GLU 56 11.816 -32.220 13.506 Start of MODEL 9 1 H1 MET 1 H MET 1 17.329 -8.553 8.452 2 HA MET 1 HA MET 1 19.824 -8.939 6.979 3 HB2 MET 1 2HB MET 1 19.469 -9.211 9.934 4 HB3 MET 1 3HB MET 1 20.555 -10.318 9.104 5 HG2 MET 1 2HG MET 1 22.023 -8.682 9.677 6 HG3 MET 1 3HG MET 1 21.521 -8.098 8.093 7 HE1 MET 1 1HE MET 1 22.918 -6.965 10.538 8 HE2 MET 1 2HE MET 1 22.410 -5.277 10.493 9 HE3 MET 1 3HE MET 1 21.903 -6.317 11.827 10 H THR 2 H THR 2 19.873 -10.829 5.933 11 HA THR 2 HA THR 2 17.624 -12.530 5.894 12 HB THR 2 HB THR 2 20.267 -13.515 4.908 13 HG1 THR 2 HG1 THR 2 20.532 -11.667 3.898 14 HG21 THR 2 1HG2 THR 2 18.719 -14.992 4.163 15 HG22 THR 2 2HG2 THR 2 18.502 -13.793 2.887 16 HG23 THR 2 3HG2 THR 2 17.401 -13.824 4.264 17 H PHE 3 H PHE 3 17.087 -14.192 7.148 18 HA PHE 3 HA PHE 3 19.105 -15.247 9.004 19 HB2 PHE 3 2HB PHE 3 16.183 -14.799 9.160 20 HB3 PHE 3 3HB PHE 3 16.778 -16.265 9.934 21 HD1 PHE 3 HD1 PHE 3 18.301 -16.140 11.832 22 HD2 PHE 3 HD2 PHE 3 16.709 -12.628 10.030 23 HE1 PHE 3 HE1 PHE 3 18.978 -14.828 13.799 24 HE2 PHE 3 HE2 PHE 3 17.383 -11.311 11.995 25 HZ PHE 3 HZ PHE 3 18.520 -12.410 13.883 26 H LYS 4 H LYS 4 18.756 -17.602 9.609 27 HA LYS 4 HA LYS 4 17.973 -19.192 7.261 28 HB2 LYS 4 2HB LYS 4 20.515 -18.823 7.590 29 HB3 LYS 4 3HB LYS 4 20.351 -19.929 8.948 30 HG2 LYS 4 2HG LYS 4 19.822 -21.729 7.584 31 HG3 LYS 4 3HG LYS 4 19.348 -20.693 6.236 32 HD2 LYS 4 2HD LYS 4 21.490 -20.403 5.528 33 HD3 LYS 4 3HD LYS 4 22.155 -20.497 7.160 34 HE2 LYS 4 2HE LYS 4 21.449 -22.991 7.029 35 HE3 LYS 4 3HE LYS 4 21.402 -22.709 5.289 36 HZ1 LYS 4 1HZ LYS 4 23.603 -23.386 6.725 37 HZ2 LYS 4 2HZ LYS 4 23.794 -21.718 6.523 38 HZ3 LYS 4 3HZ LYS 4 23.612 -22.718 5.170 39 H LEU 5 H LEU 5 17.216 -21.293 7.694 40 HA LEU 5 HA LEU 5 16.623 -21.841 10.528 41 HB2 LEU 5 2HB LEU 5 14.606 -21.090 9.453 42 HB3 LEU 5 3HB LEU 5 14.847 -22.225 8.124 43 HG LEU 5 HG LEU 5 14.459 -24.096 9.668 44 HD11 LEU 5 1HD1 LEU 5 15.249 -22.786 11.692 45 HD12 LEU 5 2HD1 LEU 5 13.828 -23.804 11.915 46 HD13 LEU 5 3HD1 LEU 5 13.642 -22.061 11.723 47 HD21 LEU 5 1HD2 LEU 5 12.436 -23.783 8.761 48 HD22 LEU 5 2HD2 LEU 5 12.496 -22.036 8.994 49 HD23 LEU 5 3HD2 LEU 5 12.006 -23.088 10.324 50 H ILE 6 H ILE 6 16.724 -23.965 11.205 51 HA ILE 6 HA ILE 6 17.684 -25.925 9.225 52 HB ILE 6 HB ILE 6 18.766 -25.373 11.979 53 HG12 ILE 6 2HG1 ILE 6 19.737 -24.166 10.038 54 HG13 ILE 6 3HG1 ILE 6 20.897 -25.234 10.824 55 HG21 ILE 6 1HG2 ILE 6 18.906 -27.890 10.360 56 HG22 ILE 6 2HG2 ILE 6 20.198 -27.454 11.476 57 HG23 ILE 6 3HG2 ILE 6 18.557 -27.688 12.076 58 HD11 ILE 6 1HD1 ILE 6 20.472 -26.913 9.062 59 HD12 ILE 6 2HD1 ILE 6 19.423 -25.747 8.254 60 HD13 ILE 6 3HD1 ILE 6 21.140 -25.401 8.448 61 H ILE 7 H ILE 7 16.103 -27.370 9.015 62 HA ILE 7 HA ILE 7 14.553 -28.157 11.377 63 HB ILE 7 HB ILE 7 14.002 -28.769 8.471 64 HG12 ILE 7 2HG1 ILE 7 12.692 -26.728 10.279 65 HG13 ILE 7 3HG1 ILE 7 13.867 -26.347 9.026 66 HG21 ILE 7 1HG2 ILE 7 12.852 -29.703 10.961 67 HG22 ILE 7 2HG2 ILE 7 11.650 -28.945 9.917 68 HG23 ILE 7 3HG2 ILE 7 12.615 -30.294 9.316 69 HD11 ILE 7 1HD1 ILE 7 11.111 -27.487 8.657 70 HD12 ILE 7 2HD1 ILE 7 11.693 -25.893 8.176 71 HD13 ILE 7 3HD1 ILE 7 12.300 -27.336 7.364 72 H ASN 8 H ASN 8 16.020 -29.565 12.349 73 HA ASN 8 HA ASN 8 17.260 -31.708 10.926 74 HB2 ASN 8 2HB ASN 8 18.093 -30.629 13.077 75 HB3 ASN 8 3HB ASN 8 16.851 -31.558 13.912 76 HD21 ASN 8 1HD2 ASN 8 19.652 -31.751 14.319 77 HD22 ASN 8 2HD2 ASN 8 20.132 -33.355 13.895 78 H GLY 9 H GLY 9 15.304 -32.542 9.883 79 HA2 GLY 9 2HA GLY 9 13.335 -33.861 11.540 80 HA3 GLY 9 3HA GLY 9 13.397 -33.867 9.784 81 H LYS 10 H LYS 10 13.446 -35.858 12.302 82 HA LYS 10 HA LYS 10 15.663 -37.538 11.895 83 HB2 LYS 10 2HB LYS 10 14.391 -39.218 13.141 84 HB3 LYS 10 3HB LYS 10 14.277 -37.641 13.912 85 HG2 LYS 10 2HG LYS 10 12.092 -38.137 14.009 86 HG3 LYS 10 3HG LYS 10 12.090 -37.565 12.339 87 HD2 LYS 10 2HD LYS 10 11.091 -39.574 11.994 88 HD3 LYS 10 3HD LYS 10 12.769 -40.114 11.910 89 HE2 LYS 10 2HE LYS 10 12.681 -41.144 13.948 90 HE3 LYS 10 3HE LYS 10 11.470 -40.031 14.580 91 HZ1 LYS 10 1HZ LYS 10 9.980 -41.193 12.805 92 HZ2 LYS 10 2HZ LYS 10 10.239 -41.920 14.310 93 HZ3 LYS 10 3HZ LYS 10 11.105 -42.446 12.956 94 H THR 11 H THR 11 12.676 -37.190 10.178 95 HA THR 11 HA THR 11 13.315 -39.572 8.567 96 HB THR 11 HB THR 11 11.114 -39.696 9.656 97 HG1 THR 11 HG1 THR 11 11.571 -40.428 7.374 98 HG21 THR 11 1HG2 THR 11 10.655 -37.281 9.772 99 HG22 THR 11 2HG2 THR 11 9.324 -38.166 9.024 100 HG23 THR 11 3HG2 THR 11 10.446 -37.246 8.022 101 H LEU 12 H LEU 12 12.540 -36.155 8.489 102 HA LEU 12 HA LEU 12 13.703 -35.939 5.850 103 HB2 LEU 12 2HB LEU 12 11.111 -36.416 5.773 104 HB3 LEU 12 3HB LEU 12 11.013 -34.695 6.138 105 HG LEU 12 HG LEU 12 12.652 -35.642 3.820 106 HD11 LEU 12 1HD1 LEU 12 10.657 -36.720 3.281 107 HD12 LEU 12 2HD1 LEU 12 10.533 -35.165 2.460 108 HD13 LEU 12 3HD1 LEU 12 9.665 -35.436 3.970 109 HD21 LEU 12 1HD2 LEU 12 11.955 -33.153 4.958 110 HD22 LEU 12 2HD2 LEU 12 11.130 -33.268 3.403 111 HD23 LEU 12 3HD2 LEU 12 12.881 -33.462 3.489 112 H LYS 13 H LYS 13 15.129 -34.369 6.172 113 HA LYS 13 HA LYS 13 14.622 -32.251 8.081 114 HB2 LYS 13 2HB LYS 13 17.001 -32.806 6.299 115 HB3 LYS 13 3HB LYS 13 16.930 -31.528 7.504 116 HG2 LYS 13 2HG LYS 13 17.099 -32.981 9.261 117 HG3 LYS 13 3HG LYS 13 16.390 -34.324 8.361 118 HD2 LYS 13 2HD LYS 13 18.717 -34.788 8.682 119 HD3 LYS 13 3HD LYS 13 18.466 -34.399 6.979 120 HE2 LYS 13 2HE LYS 13 19.220 -32.226 8.878 121 HE3 LYS 13 3HE LYS 13 20.460 -33.345 8.317 122 HZ1 LYS 13 1HZ LYS 13 20.624 -31.941 6.605 123 HZ2 LYS 13 2HZ LYS 13 19.119 -31.225 6.898 124 HZ3 LYS 13 3HZ LYS 13 19.212 -32.674 6.029 125 H GLY 14 H GLY 14 15.149 -29.961 7.440 126 HA2 GLY 14 2HA GLY 14 14.538 -29.331 4.651 127 HA3 GLY 14 3HA GLY 14 13.410 -28.751 5.868 128 H GLU 15 H GLU 15 14.054 -26.654 4.871 129 HA GLU 15 HA GLU 15 15.718 -25.208 6.586 130 HB2 GLU 15 2HB GLU 15 17.522 -24.615 4.903 131 HB3 GLU 15 3HB GLU 15 17.630 -26.214 5.624 132 HG2 GLU 15 2HG GLU 15 17.080 -27.286 3.677 133 HG3 GLU 15 3HG GLU 15 16.199 -25.900 3.036 134 H THR 16 H THR 16 15.919 -22.946 5.971 135 HA THR 16 HA THR 16 14.810 -21.882 3.610 136 HB THR 16 HB THR 16 12.658 -22.577 4.327 137 HG1 THR 16 HG1 THR 16 12.667 -19.942 5.327 138 HG21 THR 16 1HG2 THR 16 13.104 -23.123 6.630 139 HG22 THR 16 2HG2 THR 16 11.765 -21.976 6.574 140 HG23 THR 16 3HG2 THR 16 13.379 -21.426 7.023 141 H THR 17 H THR 17 14.970 -19.628 3.516 142 HA THR 17 HA THR 17 16.136 -18.337 5.893 143 HB THR 17 HB THR 17 17.533 -16.968 4.324 144 HG1 THR 17 HG1 THR 17 16.706 -17.206 2.335 145 HG21 THR 17 1HG2 THR 17 18.860 -19.255 3.611 146 HG22 THR 17 2HG2 THR 17 17.871 -19.806 4.964 147 HG23 THR 17 3HG2 THR 17 18.985 -18.455 5.179 148 H THR 18 H THR 18 15.419 -16.325 6.385 149 HA THR 18 HA THR 18 13.888 -14.784 4.461 150 HB THR 18 HB THR 18 12.153 -16.220 5.395 151 HG1 THR 18 HG1 THR 18 11.213 -14.319 5.063 152 HG21 THR 18 1HG2 THR 18 13.578 -16.270 7.678 153 HG22 THR 18 2HG2 THR 18 11.863 -16.674 7.598 154 HG23 THR 18 3HG2 THR 18 12.367 -15.062 8.105 155 H GLU 19 H GLU 19 14.328 -12.692 4.711 156 HA GLU 19 HA GLU 19 16.012 -11.785 6.816 157 HB2 GLU 19 2HB GLU 19 15.686 -9.544 5.788 158 HB3 GLU 19 3HB GLU 19 16.193 -10.774 4.639 159 HG2 GLU 19 2HG GLU 19 13.907 -10.998 3.843 160 HG3 GLU 19 3HG GLU 19 13.372 -9.796 5.017 161 H ALA 20 H ALA 20 15.575 -10.483 8.562 162 HA ALA 20 HA ALA 20 12.905 -9.493 9.049 163 HB1 ALA 20 1HB ALA 20 13.365 -12.052 9.866 164 HB2 ALA 20 2HB ALA 20 13.776 -11.132 11.313 165 HB3 ALA 20 3HB ALA 20 12.182 -10.958 10.582 166 H VAL 21 H VAL 21 12.836 -8.533 11.377 167 HA VAL 21 HA VAL 21 15.300 -6.979 11.699 168 HB VAL 21 HB VAL 21 13.971 -5.380 12.954 169 HG11 VAL 21 1HG1 VAL 21 13.901 -5.691 10.309 170 HG12 VAL 21 2HG1 VAL 21 12.183 -5.899 10.650 171 HG13 VAL 21 3HG1 VAL 21 13.007 -4.418 11.137 172 HG21 VAL 21 1HG2 VAL 21 11.772 -7.410 12.628 173 HG22 VAL 21 2HG2 VAL 21 12.436 -6.758 14.126 174 HG23 VAL 21 3HG2 VAL 21 11.473 -5.727 13.066 175 H ASP 22 H ASP 22 13.310 -9.318 13.291 176 HA ASP 22 HA ASP 22 15.201 -9.354 15.532 177 HB2 ASP 22 2HB ASP 22 12.188 -9.317 15.758 178 HB3 ASP 22 3HB ASP 22 13.249 -9.814 17.073 179 H ALA 23 H ALA 23 14.960 -11.403 16.839 180 HA ALA 23 HA ALA 23 15.225 -13.639 15.156 181 HB1 ALA 23 1HB ALA 23 16.212 -14.422 16.979 182 HB2 ALA 23 2HB ALA 23 15.603 -13.050 17.908 183 HB3 ALA 23 3HB ALA 23 14.645 -14.526 17.786 184 H ALA 24 H ALA 24 12.503 -12.369 16.966 185 HA ALA 24 HA ALA 24 10.859 -14.696 16.550 186 HB1 ALA 24 1HB ALA 24 10.724 -12.293 18.110 187 HB2 ALA 24 2HB ALA 24 9.220 -12.520 17.218 188 HB3 ALA 24 3HB ALA 24 9.813 -13.793 18.286 189 H THR 25 H THR 25 11.342 -11.587 15.005 190 HA THR 25 HA THR 25 9.067 -11.418 13.428 191 HB THR 25 HB THR 25 11.836 -10.617 12.522 192 HG1 THR 25 HG1 THR 25 10.078 -8.864 13.850 193 HG21 THR 25 1HG2 THR 25 10.678 -8.915 11.242 194 HG22 THR 25 2HG2 THR 25 9.127 -9.434 11.902 195 HG23 THR 25 3HG2 THR 25 10.031 -10.502 10.829 196 H ALA 26 H ALA 26 12.167 -12.991 12.660 197 HA ALA 26 HA ALA 26 11.232 -14.002 10.148 198 HB1 ALA 26 1HB ALA 26 13.561 -15.294 11.409 199 HB2 ALA 26 2HB ALA 26 13.367 -14.630 9.787 200 HB3 ALA 26 3HB ALA 26 13.691 -13.555 11.147 201 H GLU 27 H GLU 27 11.709 -15.355 13.385 202 HA GLU 27 HA GLU 27 11.243 -18.031 12.861 203 HB2 GLU 27 2HB GLU 27 11.958 -17.088 15.051 204 HB3 GLU 27 3HB GLU 27 10.316 -16.513 15.305 205 HG2 GLU 27 2HG GLU 27 9.555 -18.892 15.108 206 HG3 GLU 27 3HG GLU 27 11.254 -19.361 15.123 207 H LYS 28 H LYS 28 9.004 -15.375 12.977 208 HA LYS 28 HA LYS 28 6.599 -16.736 13.361 209 HB2 LYS 28 2HB LYS 28 7.359 -14.173 12.020 210 HB3 LYS 28 3HB LYS 28 5.720 -14.780 11.824 211 HG2 LYS 28 2HG LYS 28 6.904 -14.540 14.555 212 HG3 LYS 28 3HG LYS 28 6.258 -13.116 13.735 213 HD2 LYS 28 2HD LYS 28 4.161 -14.566 13.346 214 HD3 LYS 28 3HD LYS 28 4.827 -15.603 14.609 215 HE2 LYS 28 2HE LYS 28 3.348 -14.105 15.689 216 HE3 LYS 28 3HE LYS 28 4.978 -13.541 16.054 217 HZ1 LYS 28 1HZ LYS 28 3.688 -11.659 15.483 218 HZ2 LYS 28 2HZ LYS 28 3.075 -12.399 14.089 219 HZ3 LYS 28 3HZ LYS 28 4.706 -11.956 14.165 220 H VAL 29 H VAL 29 8.384 -16.055 10.374 221 HA VAL 29 HA VAL 29 6.449 -17.499 8.768 222 HB VAL 29 HB VAL 29 9.118 -16.339 7.953 223 HG11 VAL 29 1HG1 VAL 29 8.747 -17.564 6.116 224 HG12 VAL 29 2HG1 VAL 29 7.064 -17.874 6.550 225 HG13 VAL 29 3HG1 VAL 29 7.506 -16.369 5.743 226 HG21 VAL 29 1HG2 VAL 29 6.451 -15.142 8.344 227 HG22 VAL 29 2HG2 VAL 29 8.050 -14.400 8.405 228 HG23 VAL 29 3HG2 VAL 29 7.280 -14.707 6.849 229 H LEU 30 H LEU 30 9.658 -17.994 10.104 230 HA LEU 30 HA LEU 30 10.357 -20.294 8.645 231 HB2 LEU 30 2HB LEU 30 11.161 -19.408 11.410 232 HB3 LEU 30 3HB LEU 30 11.910 -20.743 10.537 233 HG LEU 30 HG LEU 30 11.939 -17.848 9.682 234 HD11 LEU 30 1HD1 LEU 30 14.266 -19.496 10.628 235 HD12 LEU 30 2HD1 LEU 30 13.299 -18.512 11.727 236 HD13 LEU 30 3HD1 LEU 30 14.173 -17.749 10.398 237 HD21 LEU 30 1HD2 LEU 30 12.300 -20.205 8.183 238 HD22 LEU 30 2HD2 LEU 30 13.902 -19.508 8.430 239 HD23 LEU 30 3HD2 LEU 30 12.625 -18.542 7.690 240 H LYS 31 H LYS 31 8.821 -19.938 11.833 241 HA LYS 31 HA LYS 31 8.554 -22.667 12.405 242 HB2 LYS 31 2HB LYS 31 7.025 -22.026 14.110 243 HB3 LYS 31 3HB LYS 31 8.218 -20.738 13.997 244 HG2 LYS 31 2HG LYS 31 6.531 -19.574 12.458 245 HG3 LYS 31 3HG LYS 31 5.363 -20.737 13.091 246 HD2 LYS 31 2HD LYS 31 7.051 -18.923 14.811 247 HD3 LYS 31 3HD LYS 31 5.402 -18.552 14.301 248 HE2 LYS 31 2HE LYS 31 4.558 -20.484 15.462 249 HE3 LYS 31 3HE LYS 31 6.193 -21.015 15.848 250 HZ1 LYS 31 1HZ LYS 31 4.611 -18.856 17.034 251 HZ2 LYS 31 2HZ LYS 31 6.288 -18.657 16.957 252 HZ3 LYS 31 3HZ LYS 31 5.632 -19.981 17.780 253 H GLN 32 H GLN 32 6.609 -20.508 10.454 254 HA GLN 32 HA GLN 32 4.349 -22.217 10.221 255 HB2 GLN 32 2HB GLN 32 5.337 -19.871 8.611 256 HB3 GLN 32 3HB GLN 32 3.881 -20.755 8.173 257 HG2 GLN 32 2HG GLN 32 4.159 -19.720 10.948 258 HG3 GLN 32 3HG GLN 32 3.758 -18.600 9.646 259 HE21 GLN 32 1HE2 GLN 32 2.514 -20.626 11.936 260 HE22 GLN 32 2HE2 GLN 32 0.929 -20.848 11.287 261 H TYR 33 H TYR 33 7.308 -21.795 8.362 262 HA TYR 33 HA TYR 33 6.598 -23.347 6.130 263 HB2 TYR 33 2HB TYR 33 8.580 -21.822 6.279 264 HB3 TYR 33 3HB TYR 33 9.369 -23.020 7.299 265 HD1 TYR 33 HD1 TYR 33 8.529 -22.057 3.918 266 HD2 TYR 33 HD2 TYR 33 9.940 -25.258 6.341 267 HE1 TYR 33 HE1 TYR 33 9.379 -23.195 1.909 268 HE2 TYR 33 HE2 TYR 33 10.795 -26.404 4.340 269 HH TYR 33 HH TYR 33 9.877 -25.804 1.344 270 H ALA 34 H ALA 34 8.109 -24.214 9.208 271 HA ALA 34 HA ALA 34 8.411 -26.983 8.485 272 HB1 ALA 34 1HB ALA 34 8.580 -26.707 11.284 273 HB2 ALA 34 2HB ALA 34 9.901 -26.872 10.125 274 HB3 ALA 34 3HB ALA 34 9.323 -25.269 10.582 275 H ASN 35 H ASN 35 6.239 -25.119 10.584 276 HA ASN 35 HA ASN 35 4.782 -27.222 11.670 277 HB2 ASN 35 2HB ASN 35 4.563 -24.925 12.471 278 HB3 ASN 35 3HB ASN 35 3.830 -24.442 10.944 279 HD21 ASN 35 1HD2 ASN 35 1.801 -23.955 11.414 280 HD22 ASN 35 2HD2 ASN 35 0.697 -24.965 12.277 281 H ASP 36 H ASP 36 4.362 -25.521 8.602 282 HA ASP 36 HA ASP 36 1.925 -26.617 7.816 283 HB2 ASP 36 2HB ASP 36 3.301 -24.760 6.695 284 HB3 ASP 36 3HB ASP 36 4.174 -26.062 5.890 285 H ASN 37 H ASN 37 5.088 -28.025 7.934 286 HA ASN 37 HA ASN 37 4.194 -30.353 6.393 287 HB2 ASN 37 2HB ASN 37 6.925 -29.450 7.311 288 HB3 ASN 37 3HB ASN 37 6.634 -31.029 6.589 289 HD21 ASN 37 1HD2 ASN 37 6.006 -27.593 5.989 290 HD22 ASN 37 2HD2 ASN 37 6.287 -27.663 4.285 291 H GLY 38 H GLY 38 3.425 -29.616 9.225 292 HA2 GLY 38 2HA GLY 38 3.016 -30.722 11.193 293 HA3 GLY 38 3HA GLY 38 3.313 -32.201 10.290 294 H ILE 39 H ILE 39 5.630 -29.602 10.846 295 HA ILE 39 HA ILE 39 7.388 -31.546 12.155 296 HB ILE 39 HB ILE 39 8.030 -28.796 11.083 297 HG12 ILE 39 2HG1 ILE 39 8.793 -31.487 9.938 298 HG13 ILE 39 3HG1 ILE 39 7.399 -30.565 9.388 299 HG21 ILE 39 1HG2 ILE 39 9.677 -30.914 12.410 300 HG22 ILE 39 2HG2 ILE 39 10.408 -29.794 11.263 301 HG23 ILE 39 3HG2 ILE 39 9.629 -29.181 12.721 302 HD11 ILE 39 1HD1 ILE 39 8.844 -29.773 7.875 303 HD12 ILE 39 2HD1 ILE 39 9.343 -28.704 9.185 304 HD13 ILE 39 3HD1 ILE 39 10.254 -30.178 8.855 305 H ASP 40 H ASP 40 7.860 -31.450 14.257 306 HA ASP 40 HA ASP 40 7.750 -28.978 15.734 307 HB2 ASP 40 2HB ASP 40 5.355 -29.933 15.627 308 HB3 ASP 40 3HB ASP 40 5.952 -31.184 16.715 309 H GLY 41 H GLY 41 9.203 -29.001 17.345 310 HA2 GLY 41 2HA GLY 41 9.837 -31.286 18.901 311 HA3 GLY 41 3HA GLY 41 11.048 -31.060 17.647 312 H GLU 42 H GLU 42 12.653 -30.656 19.212 313 HA GLU 42 HA GLU 42 12.363 -28.479 21.069 314 HB2 GLU 42 2HB GLU 42 13.748 -30.516 21.513 315 HB3 GLU 42 3HB GLU 42 14.878 -29.960 20.287 316 HG2 GLU 42 2HG GLU 42 14.873 -27.777 21.758 317 HG3 GLU 42 3HG GLU 42 14.363 -28.905 23.013 318 H TRP 43 H TRP 43 11.994 -26.624 19.875 319 HA TRP 43 HA TRP 43 13.739 -25.854 17.724 320 HB2 TRP 43 2HB TRP 43 11.417 -24.577 19.131 321 HB3 TRP 43 3HB TRP 43 12.436 -23.615 18.065 322 HD1 TRP 43 HD1 TRP 43 10.167 -26.744 17.937 323 HE1 TRP 43 HE1 TRP 43 9.261 -26.975 15.539 324 HE3 TRP 43 HE3 TRP 43 12.758 -22.935 15.720 325 HZ2 TRP 43 HZ2 TRP 43 9.599 -25.710 13.039 326 HZ3 TRP 43 HZ3 TRP 43 12.411 -22.512 13.321 327 HH2 TRP 43 HH2 TRP 43 10.864 -23.872 12.009 328 H THR 44 H THR 44 15.515 -24.619 17.811 329 HA THR 44 HA THR 44 16.094 -23.148 20.289 330 HB THR 44 HB THR 44 18.352 -23.897 20.371 331 HG1 THR 44 HG1 THR 44 18.853 -24.032 18.182 332 HG21 THR 44 1HG2 THR 44 17.951 -25.945 21.232 333 HG22 THR 44 2HG2 THR 44 17.211 -26.537 19.745 334 HG23 THR 44 3HG2 THR 44 16.269 -25.560 20.871 335 H TYR 45 H TYR 45 18.145 -21.731 19.900 336 HA TYR 45 HA TYR 45 18.505 -20.792 17.201 337 HB2 TYR 45 2HB TYR 45 17.645 -18.578 17.488 338 HB3 TYR 45 3HB TYR 45 16.369 -19.697 17.957 339 HD1 TYR 45 HD1 TYR 45 15.855 -20.036 20.371 340 HD2 TYR 45 HD2 TYR 45 18.560 -17.030 19.045 341 HE1 TYR 45 HE1 TYR 45 15.656 -18.904 22.546 342 HE2 TYR 45 HE2 TYR 45 18.369 -15.891 21.216 343 HH TYR 45 HH TYR 45 16.652 -17.332 23.903 344 H ASP 46 H ASP 46 20.166 -19.153 17.035 345 HA ASP 46 HA ASP 46 21.855 -18.948 19.440 346 HB2 ASP 46 2HB ASP 46 22.567 -20.578 17.488 347 HB3 ASP 46 3HB ASP 46 23.114 -19.084 16.732 348 H ASP 47 H ASP 47 22.795 -16.999 19.828 349 HA ASP 47 HA ASP 47 21.848 -14.767 18.215 350 HB2 ASP 47 2HB ASP 47 21.773 -14.866 20.781 351 HB3 ASP 47 3HB ASP 47 23.508 -14.561 20.721 352 H ALA 48 H ALA 48 24.752 -16.538 18.834 353 HA ALA 48 HA ALA 48 26.543 -14.516 17.846 354 HB1 ALA 48 1HB ALA 48 27.133 -16.334 19.507 355 HB2 ALA 48 2HB ALA 48 27.158 -17.446 18.137 356 HB3 ALA 48 3HB ALA 48 28.275 -16.082 18.187 357 H THR 49 H THR 49 25.279 -17.598 16.595 358 HA THR 49 HA THR 49 26.433 -17.064 13.977 359 HB THR 49 HB THR 49 25.734 -19.262 13.350 360 HG1 THR 49 HG1 THR 49 24.362 -20.494 14.713 361 HG21 THR 49 1HG2 THR 49 26.696 -20.654 15.181 362 HG22 THR 49 2HG2 THR 49 26.707 -19.220 16.207 363 HG23 THR 49 3HG2 THR 49 27.693 -19.267 14.746 364 H LYS 50 H LYS 50 23.497 -16.547 15.627 365 HA LYS 50 HA LYS 50 21.463 -15.744 14.998 366 HB2 LYS 50 2HB LYS 50 23.217 -14.843 12.735 367 HB3 LYS 50 3HB LYS 50 21.485 -14.537 12.692 368 HG2 LYS 50 2HG LYS 50 23.252 -13.687 14.970 369 HG3 LYS 50 3HG LYS 50 22.897 -12.664 13.578 370 HD2 LYS 50 2HD LYS 50 20.602 -12.562 14.113 371 HD3 LYS 50 3HD LYS 50 20.728 -13.902 15.254 372 HE2 LYS 50 2HE LYS 50 20.539 -11.824 16.467 373 HE3 LYS 50 3HE LYS 50 22.154 -12.494 16.696 374 HZ1 LYS 50 1HZ LYS 50 22.207 -10.107 16.274 375 HZ2 LYS 50 2HZ LYS 50 21.450 -10.337 14.780 376 HZ3 LYS 50 3HZ LYS 50 23.000 -10.960 15.047 377 H THR 51 H THR 51 21.825 -18.460 14.591 378 HA THR 51 HA THR 51 20.120 -18.906 12.234 379 HB THR 51 HB THR 51 22.404 -20.682 13.119 380 HG1 THR 51 HG1 THR 51 23.489 -19.624 11.652 381 HG21 THR 51 1HG2 THR 51 20.825 -22.197 12.344 382 HG22 THR 51 2HG2 THR 51 21.739 -21.830 10.882 383 HG23 THR 51 3HG2 THR 51 20.175 -21.067 11.157 384 H PHE 52 H PHE 52 18.513 -20.438 12.452 385 HA PHE 52 HA PHE 52 18.019 -21.328 15.208 386 HB2 PHE 52 2HB PHE 52 16.133 -20.955 12.872 387 HB3 PHE 52 3HB PHE 52 15.655 -21.622 14.430 388 HD1 PHE 52 HD1 PHE 52 14.927 -20.212 16.112 389 HD2 PHE 52 HD2 PHE 52 17.203 -18.609 12.895 390 HE1 PHE 52 HE1 PHE 52 14.516 -17.940 16.961 391 HE2 PHE 52 HE2 PHE 52 16.797 -16.334 13.737 392 HZ PHE 52 HZ PHE 52 15.453 -15.995 15.772 393 H THR 53 H THR 53 17.496 -23.453 15.676 394 HA THR 53 HA THR 53 17.486 -25.422 13.531 395 HB THR 53 HB THR 53 19.517 -25.517 15.772 396 HG1 THR 53 HG1 THR 53 20.405 -24.275 14.219 397 HG21 THR 53 1HG2 THR 53 19.412 -27.736 15.520 398 HG22 THR 53 2HG2 THR 53 20.096 -27.499 13.913 399 HG23 THR 53 3HG2 THR 53 18.349 -27.598 14.121 400 H VAL 54 H VAL 54 16.114 -27.042 13.952 401 HA VAL 54 HA VAL 54 15.210 -27.398 16.735 402 HB VAL 54 HB VAL 54 13.452 -26.368 15.384 403 HG11 VAL 54 1HG1 VAL 54 13.089 -26.915 13.262 404 HG12 VAL 54 2HG1 VAL 54 14.417 -28.073 13.371 405 HG13 VAL 54 3HG1 VAL 54 12.764 -28.590 13.708 406 HG21 VAL 54 1HG2 VAL 54 11.687 -28.093 15.745 407 HG22 VAL 54 2HG2 VAL 54 12.963 -29.246 16.137 408 HG23 VAL 54 3HG2 VAL 54 12.722 -27.818 17.145 409 H THR 55 H THR 55 15.201 -29.417 17.544 410 HA THR 55 HA THR 55 16.125 -31.572 15.776 411 HB THR 55 HB THR 55 16.057 -31.754 18.776 412 HG1 THR 55 HG1 THR 55 18.210 -30.705 17.228 413 HG21 THR 55 1HG2 THR 55 17.287 -33.618 18.502 414 HG22 THR 55 2HG2 THR 55 18.278 -32.893 17.234 415 HG23 THR 55 3HG2 THR 55 16.698 -33.572 16.840 416 H GLU 56 H GLU 56 14.398 -32.584 14.924 417 HA GLU 56 HA GLU 56 12.026 -33.066 16.528 418 HB2 GLU 56 2HB GLU 56 12.730 -33.251 13.651 419 HB3 GLU 56 3HB GLU 56 11.475 -34.337 14.231 420 HG2 GLU 56 2HG GLU 56 10.300 -32.482 13.490 421 HG3 GLU 56 3HG GLU 56 10.395 -32.244 15.234 Start of MODEL 10 1 H1 MET 1 H MET 1 16.932 -8.174 7.805 2 HA MET 1 HA MET 1 19.754 -8.891 7.618 3 HB2 MET 1 2HB MET 1 18.135 -9.514 10.091 4 HB3 MET 1 3HB MET 1 19.832 -9.885 9.813 5 HG2 MET 1 2HG MET 1 20.401 -7.551 9.854 6 HG3 MET 1 3HG MET 1 18.701 -7.102 9.963 7 HE1 MET 1 1HE MET 1 21.649 -8.867 12.579 8 HE2 MET 1 2HE MET 1 21.792 -7.596 11.365 9 HE3 MET 1 3HE MET 1 21.548 -7.174 13.060 10 H THR 2 H THR 2 20.106 -10.989 7.026 11 HA THR 2 HA THR 2 17.727 -12.521 6.287 12 HB THR 2 HB THR 2 20.583 -13.145 5.538 13 HG1 THR 2 HG1 THR 2 18.672 -11.489 4.225 14 HG21 THR 2 1HG2 THR 2 18.989 -13.965 3.492 15 HG22 THR 2 2HG2 THR 2 17.936 -14.240 4.879 16 HG23 THR 2 3HG2 THR 2 19.524 -15.000 4.815 17 H PHE 3 H PHE 3 17.133 -14.332 7.298 18 HA PHE 3 HA PHE 3 19.009 -15.501 9.246 19 HB2 PHE 3 2HB PHE 3 16.100 -14.918 9.370 20 HB3 PHE 3 3HB PHE 3 16.642 -16.408 10.135 21 HD1 PHE 3 HD1 PHE 3 16.473 -12.821 10.368 22 HD2 PHE 3 HD2 PHE 3 18.356 -16.297 11.945 23 HE1 PHE 3 HE1 PHE 3 17.164 -11.542 12.353 24 HE2 PHE 3 HE2 PHE 3 19.049 -15.023 13.933 25 HZ PHE 3 HZ PHE 3 18.452 -12.644 14.139 26 H LYS 4 H LYS 4 18.868 -17.810 9.585 27 HA LYS 4 HA LYS 4 17.874 -19.257 7.217 28 HB2 LYS 4 2HB LYS 4 20.484 -18.966 7.767 29 HB3 LYS 4 3HB LYS 4 20.151 -20.384 8.754 30 HG2 LYS 4 2HG LYS 4 19.087 -21.359 6.629 31 HG3 LYS 4 3HG LYS 4 19.947 -20.070 5.784 32 HD2 LYS 4 2HD LYS 4 21.436 -21.792 7.713 33 HD3 LYS 4 3HD LYS 4 21.051 -22.427 6.112 34 HE2 LYS 4 2HE LYS 4 22.422 -19.785 6.557 35 HE3 LYS 4 3HE LYS 4 23.297 -21.301 6.341 36 HZ1 LYS 4 1HZ LYS 4 22.152 -21.551 4.188 37 HZ2 LYS 4 2HZ LYS 4 23.142 -20.182 4.249 38 HZ3 LYS 4 3HZ LYS 4 21.464 -20.019 4.389 39 H LEU 5 H LEU 5 17.039 -21.343 7.544 40 HA LEU 5 HA LEU 5 16.371 -21.964 10.346 41 HB2 LEU 5 2HB LEU 5 14.422 -21.241 9.086 42 HB3 LEU 5 3HB LEU 5 14.748 -22.458 7.854 43 HG LEU 5 HG LEU 5 14.235 -24.230 9.433 44 HD11 LEU 5 1HD1 LEU 5 14.231 -21.976 11.359 45 HD12 LEU 5 2HD1 LEU 5 14.798 -23.634 11.552 46 HD13 LEU 5 3HD1 LEU 5 13.073 -23.280 11.619 47 HD21 LEU 5 1HD2 LEU 5 12.195 -23.944 8.593 48 HD22 LEU 5 2HD2 LEU 5 12.364 -22.189 8.593 49 HD23 LEU 5 3HD2 LEU 5 11.816 -23.022 10.048 50 H ILE 6 H ILE 6 16.646 -24.024 11.067 51 HA ILE 6 HA ILE 6 17.638 -26.008 9.128 52 HB ILE 6 HB ILE 6 18.750 -25.337 11.843 53 HG12 ILE 6 2HG1 ILE 6 19.635 -24.147 9.849 54 HG13 ILE 6 3HG1 ILE 6 20.849 -25.140 10.644 55 HG21 ILE 6 1HG2 ILE 6 20.267 -27.385 11.281 56 HG22 ILE 6 2HG2 ILE 6 18.704 -27.627 12.057 57 HG23 ILE 6 3HG2 ILE 6 18.879 -27.901 10.324 58 HD11 ILE 6 1HD1 ILE 6 21.052 -25.363 8.264 59 HD12 ILE 6 2HD1 ILE 6 20.471 -26.886 8.941 60 HD13 ILE 6 3HD1 ILE 6 19.350 -25.799 8.121 61 H ILE 7 H ILE 7 16.107 -27.516 8.996 62 HA ILE 7 HA ILE 7 14.654 -28.298 11.423 63 HB ILE 7 HB ILE 7 14.021 -28.902 8.532 64 HG12 ILE 7 2HG1 ILE 7 12.609 -27.047 10.458 65 HG13 ILE 7 3HG1 ILE 7 13.759 -26.510 9.238 66 HG21 ILE 7 1HG2 ILE 7 12.750 -29.705 11.112 67 HG22 ILE 7 2HG2 ILE 7 11.751 -29.476 9.679 68 HG23 ILE 7 3HG2 ILE 7 13.055 -30.664 9.664 69 HD11 ILE 7 1HD1 ILE 7 11.037 -27.693 8.850 70 HD12 ILE 7 2HD1 ILE 7 11.664 -26.143 8.289 71 HD13 ILE 7 3HD1 ILE 7 12.224 -27.642 7.549 72 H ASN 8 H ASN 8 16.202 -29.651 12.355 73 HA ASN 8 HA ASN 8 17.471 -31.763 10.927 74 HB2 ASN 8 2HB ASN 8 18.385 -30.727 13.006 75 HB3 ASN 8 3HB ASN 8 17.086 -31.493 13.915 76 HD21 ASN 8 1HD2 ASN 8 19.696 -31.962 14.551 77 HD22 ASN 8 2HD2 ASN 8 20.113 -33.591 14.155 78 H GLY 9 H GLY 9 15.730 -32.842 9.887 79 HA2 GLY 9 2HA GLY 9 13.803 -34.218 11.603 80 HA3 GLY 9 3HA GLY 9 13.748 -34.126 9.850 81 H LYS 10 H LYS 10 14.056 -36.243 12.248 82 HA LYS 10 HA LYS 10 16.309 -37.794 11.570 83 HB2 LYS 10 2HB LYS 10 15.192 -39.600 12.825 84 HB3 LYS 10 3HB LYS 10 15.171 -38.074 13.699 85 HG2 LYS 10 2HG LYS 10 12.977 -38.225 13.903 86 HG3 LYS 10 3HG LYS 10 12.810 -38.197 12.146 87 HD2 LYS 10 2HD LYS 10 13.376 -40.708 12.271 88 HD3 LYS 10 3HD LYS 10 12.990 -40.559 13.987 89 HE2 LYS 10 2HE LYS 10 10.832 -39.370 13.013 90 HE3 LYS 10 3HE LYS 10 11.219 -40.362 11.608 91 HZ1 LYS 10 1HZ LYS 10 9.776 -41.637 12.925 92 HZ2 LYS 10 2HZ LYS 10 10.595 -41.265 14.357 93 HZ3 LYS 10 3HZ LYS 10 11.312 -42.284 13.213 94 H THR 11 H THR 11 13.161 -37.508 10.158 95 HA THR 11 HA THR 11 13.700 -39.825 8.423 96 HB THR 11 HB THR 11 11.575 -39.963 9.642 97 HG1 THR 11 HG1 THR 11 10.220 -40.032 7.618 98 HG21 THR 11 1HG2 THR 11 10.075 -38.291 9.795 99 HG22 THR 11 2HG2 THR 11 10.254 -37.848 8.098 100 HG23 THR 11 3HG2 THR 11 11.411 -37.258 9.290 101 H LEU 12 H LEU 12 12.966 -36.399 8.472 102 HA LEU 12 HA LEU 12 13.951 -36.135 5.766 103 HB2 LEU 12 2HB LEU 12 11.383 -36.593 5.794 104 HB3 LEU 12 3HB LEU 12 11.280 -34.913 6.314 105 HG LEU 12 HG LEU 12 12.401 -34.211 4.248 106 HD11 LEU 12 1HD1 LEU 12 13.778 -35.898 3.529 107 HD12 LEU 12 2HD1 LEU 12 12.408 -36.105 2.439 108 HD13 LEU 12 3HD1 LEU 12 12.583 -37.157 3.842 109 HD21 LEU 12 1HD2 LEU 12 9.833 -34.767 4.538 110 HD22 LEU 12 2HD2 LEU 12 10.202 -35.973 3.303 111 HD23 LEU 12 3HD2 LEU 12 10.502 -34.263 2.987 112 H LYS 13 H LYS 13 15.402 -34.576 5.985 113 HA LYS 13 HA LYS 13 15.153 -32.549 8.021 114 HB2 LYS 13 2HB LYS 13 17.252 -33.598 6.307 115 HB3 LYS 13 3HB LYS 13 17.278 -31.840 6.360 116 HG2 LYS 13 2HG LYS 13 17.494 -31.851 8.744 117 HG3 LYS 13 3HG LYS 13 17.255 -33.599 8.803 118 HD2 LYS 13 2HD LYS 13 19.496 -32.444 7.192 119 HD3 LYS 13 3HD LYS 13 19.664 -32.621 8.940 120 HE2 LYS 13 2HE LYS 13 20.465 -34.652 8.316 121 HE3 LYS 13 3HE LYS 13 18.751 -35.057 8.378 122 HZ1 LYS 13 1HZ LYS 13 18.580 -35.074 6.102 123 HZ2 LYS 13 2HZ LYS 13 20.146 -35.679 6.306 124 HZ3 LYS 13 3HZ LYS 13 19.915 -34.063 5.867 125 H GLY 14 H GLY 14 15.358 -30.237 7.546 126 HA2 GLY 14 2HA GLY 14 14.526 -29.393 4.882 127 HA3 GLY 14 3HA GLY 14 13.397 -29.071 6.188 128 H GLU 15 H GLU 15 14.177 -26.923 4.879 129 HA GLU 15 HA GLU 15 15.371 -25.300 6.832 130 HB2 GLU 15 2HB GLU 15 17.469 -24.704 5.628 131 HB3 GLU 15 3HB GLU 15 17.461 -26.343 6.262 132 HG2 GLU 15 2HG GLU 15 16.936 -27.209 4.047 133 HG3 GLU 15 3HG GLU 15 16.915 -25.568 3.405 134 H THR 16 H THR 16 15.570 -23.065 6.156 135 HA THR 16 HA THR 16 14.879 -22.199 3.549 136 HB THR 16 HB THR 16 12.656 -23.073 4.264 137 HG1 THR 16 HG1 THR 16 11.899 -21.517 3.055 138 HG21 THR 16 1HG2 THR 16 12.628 -20.784 6.224 139 HG22 THR 16 2HG2 THR 16 12.994 -22.445 6.691 140 HG23 THR 16 3HG2 THR 16 11.417 -22.047 6.011 141 H THR 17 H THR 17 14.502 -19.827 3.465 142 HA THR 17 HA THR 17 15.623 -18.448 5.814 143 HB THR 17 HB THR 17 16.865 -16.945 4.310 144 HG1 THR 17 HG1 THR 17 15.615 -18.546 2.368 145 HG21 THR 17 1HG2 THR 17 18.619 -18.305 4.521 146 HG22 THR 17 2HG2 THR 17 17.991 -19.389 3.280 147 HG23 THR 17 3HG2 THR 17 17.500 -19.593 4.961 148 H THR 18 H THR 18 15.110 -16.160 5.939 149 HA THR 18 HA THR 18 13.077 -15.060 4.232 150 HB THR 18 HB THR 18 11.614 -16.429 5.577 151 HG1 THR 18 HG1 THR 18 10.424 -14.667 6.640 152 HG21 THR 18 1HG2 THR 18 13.040 -16.824 7.497 153 HG22 THR 18 2HG2 THR 18 11.501 -16.147 8.034 154 HG23 THR 18 3HG2 THR 18 12.936 -15.125 7.958 155 H GLU 19 H GLU 19 13.116 -12.879 4.279 156 HA GLU 19 HA GLU 19 15.128 -11.591 5.869 157 HB2 GLU 19 2HB GLU 19 13.159 -10.628 3.810 158 HB3 GLU 19 3HB GLU 19 14.156 -9.503 4.719 159 HG2 GLU 19 2HG GLU 19 15.203 -9.938 2.617 160 HG3 GLU 19 3HG GLU 19 16.166 -10.681 3.893 161 H ALA 20 H ALA 20 14.892 -10.610 7.767 162 HA ALA 20 HA ALA 20 12.280 -9.576 8.564 163 HB1 ALA 20 1HB ALA 20 11.855 -11.320 9.875 164 HB2 ALA 20 2HB ALA 20 13.475 -11.981 9.647 165 HB3 ALA 20 3HB ALA 20 13.184 -10.769 10.896 166 H VAL 21 H VAL 21 12.549 -8.516 10.852 167 HA VAL 21 HA VAL 21 14.869 -6.751 10.640 168 HB VAL 21 HB VAL 21 13.688 -5.309 12.242 169 HG11 VAL 21 1HG1 VAL 21 11.591 -5.928 10.240 170 HG12 VAL 21 2HG1 VAL 21 12.333 -4.384 10.667 171 HG13 VAL 21 3HG1 VAL 21 13.200 -5.526 9.638 172 HG21 VAL 21 1HG2 VAL 21 12.523 -6.988 13.536 173 HG22 VAL 21 2HG2 VAL 21 11.358 -5.844 12.868 174 HG23 VAL 21 3HG2 VAL 21 11.552 -7.436 12.134 175 H ASP 22 H ASP 22 13.385 -9.070 12.811 176 HA ASP 22 HA ASP 22 15.830 -9.038 14.428 177 HB2 ASP 22 2HB ASP 22 13.743 -7.772 15.430 178 HB3 ASP 22 3HB ASP 22 13.212 -9.405 15.823 179 H ALA 23 H ALA 23 15.750 -10.992 16.013 180 HA ALA 23 HA ALA 23 15.644 -13.338 14.451 181 HB1 ALA 23 1HB ALA 23 16.117 -12.747 17.334 182 HB2 ALA 23 2HB ALA 23 15.834 -14.417 16.835 183 HB3 ALA 23 3HB ALA 23 17.179 -13.507 16.147 184 H ALA 24 H ALA 24 13.350 -11.821 16.604 185 HA ALA 24 HA ALA 24 11.614 -14.107 16.775 186 HB1 ALA 24 1HB ALA 24 11.412 -11.249 17.650 187 HB2 ALA 24 2HB ALA 24 10.007 -12.316 17.703 188 HB3 ALA 24 3HB ALA 24 11.454 -12.716 18.630 189 H THR 25 H THR 25 11.789 -11.171 14.841 190 HA THR 25 HA THR 25 9.267 -11.243 13.656 191 HB THR 25 HB THR 25 11.817 -10.340 12.308 192 HG1 THR 25 HG1 THR 25 11.792 -9.087 14.065 193 HG21 THR 25 1HG2 THR 25 8.961 -10.167 11.660 194 HG22 THR 25 2HG2 THR 25 10.371 -10.011 10.614 195 HG23 THR 25 3HG2 THR 25 9.821 -8.631 11.564 196 H ALA 26 H ALA 26 12.322 -12.678 12.521 197 HA ALA 26 HA ALA 26 11.167 -13.898 10.227 198 HB1 ALA 26 1HB ALA 26 13.754 -13.539 11.267 199 HB2 ALA 26 2HB ALA 26 13.523 -15.278 11.089 200 HB3 ALA 26 3HB ALA 26 13.299 -14.213 9.701 201 H GLU 27 H GLU 27 11.868 -15.013 13.507 202 HA GLU 27 HA GLU 27 11.443 -17.726 13.227 203 HB2 GLU 27 2HB GLU 27 12.182 -16.508 15.305 204 HB3 GLU 27 3HB GLU 27 10.500 -16.081 15.577 205 HG2 GLU 27 2HG GLU 27 9.969 -18.522 15.596 206 HG3 GLU 27 3HG GLU 27 11.702 -18.835 15.550 207 H LYS 28 H LYS 28 9.086 -15.129 13.478 208 HA LYS 28 HA LYS 28 6.778 -16.633 13.904 209 HB2 LYS 28 2HB LYS 28 7.076 -14.084 13.902 210 HB3 LYS 28 3HB LYS 28 6.858 -14.179 12.159 211 HG2 LYS 28 2HG LYS 28 4.647 -14.956 12.372 212 HG3 LYS 28 3HG LYS 28 4.855 -15.308 14.090 213 HD2 LYS 28 2HD LYS 28 5.307 -12.781 14.329 214 HD3 LYS 28 3HD LYS 28 4.573 -12.649 12.728 215 HE2 LYS 28 2HE LYS 28 3.194 -14.120 14.945 216 HE3 LYS 28 3HE LYS 28 3.077 -12.366 14.814 217 HZ1 LYS 28 1HZ LYS 28 1.247 -13.148 13.648 218 HZ2 LYS 28 2HZ LYS 28 2.102 -14.421 12.933 219 HZ3 LYS 28 3HZ LYS 28 2.369 -12.831 12.422 220 H VAL 29 H VAL 29 8.610 -16.039 10.983 221 HA VAL 29 HA VAL 29 6.588 -17.259 9.292 222 HB VAL 29 HB VAL 29 9.365 -16.287 8.602 223 HG11 VAL 29 1HG1 VAL 29 7.464 -17.860 7.131 224 HG12 VAL 29 2HG1 VAL 29 7.709 -16.300 6.341 225 HG13 VAL 29 3HG1 VAL 29 9.088 -17.349 6.670 226 HG21 VAL 29 1HG2 VAL 29 7.850 -14.511 7.408 227 HG22 VAL 29 2HG2 VAL 29 6.685 -14.979 8.646 228 HG23 VAL 29 3HG2 VAL 29 8.260 -14.339 9.114 229 H LEU 30 H LEU 30 9.798 -18.006 10.562 230 HA LEU 30 HA LEU 30 10.216 -20.394 9.137 231 HB2 LEU 30 2HB LEU 30 11.231 -19.649 11.876 232 HB3 LEU 30 3HB LEU 30 11.888 -20.909 10.834 233 HG LEU 30 HG LEU 30 11.987 -17.929 10.374 234 HD11 LEU 30 1HD1 LEU 30 14.525 -18.952 10.231 235 HD12 LEU 30 2HD1 LEU 30 13.797 -19.904 11.524 236 HD13 LEU 30 3HD1 LEU 30 13.818 -18.143 11.631 237 HD21 LEU 30 1HD2 LEU 30 13.386 -18.590 8.386 238 HD22 LEU 30 2HD2 LEU 30 11.656 -18.899 8.237 239 HD23 LEU 30 3HD2 LEU 30 12.762 -20.226 8.591 240 H LYS 31 H LYS 31 8.991 -19.875 12.442 241 HA LYS 31 HA LYS 31 8.516 -22.504 13.146 242 HB2 LYS 31 2HB LYS 31 7.032 -21.680 14.817 243 HB3 LYS 31 3HB LYS 31 8.292 -20.469 14.615 244 HG2 LYS 31 2HG LYS 31 6.798 -19.116 13.254 245 HG3 LYS 31 3HG LYS 31 5.538 -20.343 13.401 246 HD2 LYS 31 2HD LYS 31 5.150 -18.515 14.964 247 HD3 LYS 31 3HD LYS 31 5.506 -20.011 15.830 248 HE2 LYS 31 2HE LYS 31 7.732 -19.301 16.296 249 HE3 LYS 31 3HE LYS 31 7.583 -17.920 15.210 250 HZ1 LYS 31 1HZ LYS 31 5.939 -18.271 17.652 251 HZ2 LYS 31 2HZ LYS 31 6.051 -16.890 16.680 252 HZ3 LYS 31 3HZ LYS 31 7.375 -17.378 17.613 253 H GLN 32 H GLN 32 6.711 -20.433 11.004 254 HA GLN 32 HA GLN 32 4.399 -22.149 10.907 255 HB2 GLN 32 2HB GLN 32 4.392 -19.640 10.516 256 HB3 GLN 32 3HB GLN 32 5.125 -19.970 8.951 257 HG2 GLN 32 2HG GLN 32 2.657 -19.638 8.907 258 HG3 GLN 32 3HG GLN 32 3.213 -21.159 8.210 259 HE21 GLN 32 1HE2 GLN 32 2.624 -23.066 9.135 260 HE22 GLN 32 2HE2 GLN 32 1.507 -23.188 10.447 261 H TYR 33 H TYR 33 7.269 -21.580 8.947 262 HA TYR 33 HA TYR 33 6.564 -23.029 6.673 263 HB2 TYR 33 2HB TYR 33 8.591 -21.567 6.949 264 HB3 TYR 33 3HB TYR 33 9.336 -22.872 7.864 265 HD1 TYR 33 HD1 TYR 33 8.584 -21.584 4.585 266 HD2 TYR 33 HD2 TYR 33 9.776 -25.067 6.718 267 HE1 TYR 33 HE1 TYR 33 9.392 -22.583 2.487 268 HE2 TYR 33 HE2 TYR 33 10.588 -26.076 4.628 269 HH TYR 33 HH TYR 33 11.148 -25.624 2.460 270 H ALA 34 H ALA 34 8.292 -24.130 9.585 271 HA ALA 34 HA ALA 34 8.525 -26.826 8.777 272 HB1 ALA 34 1HB ALA 34 9.325 -25.266 10.980 273 HB2 ALA 34 2HB ALA 34 8.405 -26.626 11.625 274 HB3 ALA 34 3HB ALA 34 9.801 -26.918 10.588 275 H ASN 35 H ASN 35 6.245 -25.259 11.026 276 HA ASN 35 HA ASN 35 4.720 -27.457 11.703 277 HB2 ASN 35 2HB ASN 35 4.228 -24.531 11.572 278 HB3 ASN 35 3HB ASN 35 2.809 -25.568 11.689 279 HD21 ASN 35 1HD2 ASN 35 4.503 -23.699 13.517 280 HD22 ASN 35 2HD2 ASN 35 4.578 -24.592 14.995 281 H ASP 36 H ASP 36 4.195 -25.221 8.985 282 HA ASP 36 HA ASP 36 1.919 -26.419 7.925 283 HB2 ASP 36 2HB ASP 36 2.790 -24.226 7.201 284 HB3 ASP 36 3HB ASP 36 4.140 -25.034 6.410 285 H ASN 37 H ASN 37 5.266 -27.357 7.723 286 HA ASN 37 HA ASN 37 4.786 -29.291 5.618 287 HB2 ASN 37 2HB ASN 37 7.201 -28.450 7.198 288 HB3 ASN 37 3HB ASN 37 7.233 -29.918 6.226 289 HD21 ASN 37 1HD2 ASN 37 5.696 -26.787 5.636 290 HD22 ASN 37 2HD2 ASN 37 6.537 -26.456 4.164 291 H GLY 38 H GLY 38 4.595 -29.168 9.017 292 HA2 GLY 38 2HA GLY 38 3.566 -30.924 10.256 293 HA3 GLY 38 3HA GLY 38 4.187 -32.076 9.082 294 H ILE 39 H ILE 39 6.259 -29.592 10.337 295 HA ILE 39 HA ILE 39 7.643 -31.624 11.964 296 HB ILE 39 HB ILE 39 8.867 -29.318 10.447 297 HG12 ILE 39 2HG1 ILE 39 10.085 -31.426 9.412 298 HG13 ILE 39 3HG1 ILE 39 8.622 -32.253 9.937 299 HG21 ILE 39 1HG2 ILE 39 10.502 -29.445 11.954 300 HG22 ILE 39 2HG2 ILE 39 9.823 -30.905 12.673 301 HG23 ILE 39 3HG2 ILE 39 10.884 -31.026 11.268 302 HD11 ILE 39 1HD1 ILE 39 9.062 -30.576 7.646 303 HD12 ILE 39 2HD1 ILE 39 7.696 -31.623 8.032 304 HD13 ILE 39 3HD1 ILE 39 7.732 -29.964 8.629 305 H ASP 40 H ASP 40 7.678 -31.216 14.065 306 HA ASP 40 HA ASP 40 8.120 -28.553 15.074 307 HB2 ASP 40 2HB ASP 40 5.603 -28.774 14.654 308 HB3 ASP 40 3HB ASP 40 5.599 -29.935 15.978 309 H GLY 41 H GLY 41 9.365 -28.684 16.829 310 HA2 GLY 41 2HA GLY 41 9.006 -30.686 18.843 311 HA3 GLY 41 3HA GLY 41 10.413 -31.012 17.843 312 H GLU 42 H GLU 42 12.100 -30.556 19.126 313 HA GLU 42 HA GLU 42 12.083 -28.409 21.011 314 HB2 GLU 42 2HB GLU 42 13.394 -30.559 21.225 315 HB3 GLU 42 3HB GLU 42 14.490 -29.926 20.005 316 HG2 GLU 42 2HG GLU 42 15.046 -28.052 21.446 317 HG3 GLU 42 3HG GLU 42 13.911 -28.635 22.663 318 H TRP 43 H TRP 43 12.054 -26.371 20.300 319 HA TRP 43 HA TRP 43 13.557 -25.630 17.914 320 HB2 TRP 43 2HB TRP 43 11.423 -24.322 19.558 321 HB3 TRP 43 3HB TRP 43 12.453 -23.326 18.534 322 HD1 TRP 43 HD1 TRP 43 9.839 -26.139 18.297 323 HE1 TRP 43 HE1 TRP 43 8.857 -26.136 15.918 324 HE3 TRP 43 HE3 TRP 43 12.897 -22.641 16.164 325 HZ2 TRP 43 HZ2 TRP 43 9.319 -24.825 13.461 326 HZ3 TRP 43 HZ3 TRP 43 12.562 -22.071 13.794 327 HH2 TRP 43 HH2 TRP 43 10.810 -23.141 12.473 328 H THR 44 H THR 44 15.466 -24.633 17.959 329 HA THR 44 HA THR 44 16.324 -23.337 20.458 330 HB THR 44 HB THR 44 18.607 -24.188 20.113 331 HG1 THR 44 HG1 THR 44 18.682 -26.058 18.562 332 HG21 THR 44 1HG2 THR 44 16.611 -26.451 20.156 333 HG22 THR 44 2HG2 THR 44 16.971 -25.416 21.540 334 HG23 THR 44 3HG2 THR 44 18.229 -26.444 20.854 335 H TYR 45 H TYR 45 17.374 -21.426 20.240 336 HA TYR 45 HA TYR 45 17.941 -20.515 17.494 337 HB2 TYR 45 2HB TYR 45 17.171 -18.329 18.042 338 HB3 TYR 45 3HB TYR 45 15.936 -19.446 18.613 339 HD1 TYR 45 HD1 TYR 45 15.841 -19.993 21.072 340 HD2 TYR 45 HD2 TYR 45 18.253 -16.848 19.527 341 HE1 TYR 45 HE1 TYR 45 15.978 -19.003 23.321 342 HE2 TYR 45 HE2 TYR 45 18.399 -15.850 21.770 343 HH TYR 45 HH TYR 45 16.498 -16.273 24.097 344 H ASP 46 H ASP 46 19.841 -19.466 17.123 345 HA ASP 46 HA ASP 46 21.699 -19.289 19.404 346 HB2 ASP 46 2HB ASP 46 22.014 -20.254 16.627 347 HB3 ASP 46 3HB ASP 46 23.342 -19.275 17.245 348 H ASP 47 H ASP 47 22.559 -17.370 19.898 349 HA ASP 47 HA ASP 47 21.793 -15.064 18.297 350 HB2 ASP 47 2HB ASP 47 21.605 -15.227 20.861 351 HB3 ASP 47 3HB ASP 47 23.348 -14.972 20.871 352 H ALA 48 H ALA 48 24.583 -16.979 19.015 353 HA ALA 48 HA ALA 48 26.484 -15.009 18.095 354 HB1 ALA 48 1HB ALA 48 27.498 -17.716 18.186 355 HB2 ALA 48 2HB ALA 48 27.986 -16.297 19.113 356 HB3 ALA 48 3HB ALA 48 26.639 -17.291 19.667 357 H THR 49 H THR 49 24.948 -17.926 16.835 358 HA THR 49 HA THR 49 26.351 -17.603 14.286 359 HB THR 49 HB THR 49 25.595 -19.783 13.693 360 HG1 THR 49 HG1 THR 49 23.470 -19.739 14.411 361 HG21 THR 49 1HG2 THR 49 27.425 -19.667 15.375 362 HG22 THR 49 2HG2 THR 49 26.485 -21.158 15.464 363 HG23 THR 49 3HG2 THR 49 26.220 -19.875 16.645 364 H LYS 50 H LYS 50 23.368 -16.885 15.767 365 HA LYS 50 HA LYS 50 21.413 -15.999 15.013 366 HB2 LYS 50 2HB LYS 50 23.322 -15.261 12.817 367 HB3 LYS 50 3HB LYS 50 21.613 -14.869 12.676 368 HG2 LYS 50 2HG LYS 50 23.284 -14.045 15.032 369 HG3 LYS 50 3HG LYS 50 23.101 -13.053 13.583 370 HD2 LYS 50 2HD LYS 50 20.755 -12.842 13.927 371 HD3 LYS 50 3HD LYS 50 20.768 -14.071 15.195 372 HE2 LYS 50 2HE LYS 50 20.654 -12.047 16.359 373 HE3 LYS 50 3HE LYS 50 22.357 -12.497 16.442 374 HZ1 LYS 50 1HZ LYS 50 22.835 -10.541 15.555 375 HZ2 LYS 50 2HZ LYS 50 21.198 -10.169 15.351 376 HZ3 LYS 50 3HZ LYS 50 22.034 -10.992 14.134 377 H THR 51 H THR 51 21.636 -18.738 14.712 378 HA THR 51 HA THR 51 19.983 -19.167 12.323 379 HB THR 51 HB THR 51 22.226 -20.988 13.222 380 HG1 THR 51 HG1 THR 51 21.873 -19.216 11.043 381 HG21 THR 51 1HG2 THR 51 20.039 -21.319 11.187 382 HG22 THR 51 2HG2 THR 51 20.546 -22.434 12.455 383 HG23 THR 51 3HG2 THR 51 21.570 -22.183 11.043 384 H PHE 52 H PHE 52 18.343 -20.664 12.542 385 HA PHE 52 HA PHE 52 17.829 -21.549 15.295 386 HB2 PHE 52 2HB PHE 52 15.953 -21.081 12.972 387 HB3 PHE 52 3HB PHE 52 15.453 -21.776 14.510 388 HD1 PHE 52 HD1 PHE 52 16.942 -18.752 12.973 389 HD2 PHE 52 HD2 PHE 52 14.901 -20.410 16.320 390 HE1 PHE 52 HE1 PHE 52 16.595 -16.490 13.877 391 HE2 PHE 52 HE2 PHE 52 14.549 -18.150 17.228 392 HZ PHE 52 HZ PHE 52 15.396 -16.187 16.007 393 H THR 53 H THR 53 17.554 -23.657 15.792 394 HA THR 53 HA THR 53 17.539 -25.603 13.584 395 HB THR 53 HB THR 53 19.186 -25.815 16.112 396 HG1 THR 53 HG1 THR 53 20.857 -25.279 14.874 397 HG21 THR 53 1HG2 THR 53 20.074 -27.814 14.564 398 HG22 THR 53 2HG2 THR 53 18.391 -27.779 14.041 399 HG23 THR 53 3HG2 THR 53 18.781 -28.022 15.744 400 H VAL 54 H VAL 54 16.023 -27.132 13.748 401 HA VAL 54 HA VAL 54 14.625 -27.417 16.327 402 HB VAL 54 HB VAL 54 13.487 -28.015 13.597 403 HG11 VAL 54 1HG1 VAL 54 12.210 -27.765 16.318 404 HG12 VAL 54 2HG1 VAL 54 11.339 -27.995 14.800 405 HG13 VAL 54 3HG1 VAL 54 12.428 -29.250 15.393 406 HG21 VAL 54 1HG2 VAL 54 12.174 -25.914 13.954 407 HG22 VAL 54 2HG2 VAL 54 13.247 -25.542 15.302 408 HG23 VAL 54 3HG2 VAL 54 13.896 -25.661 13.666 409 H THR 55 H THR 55 15.279 -29.210 17.321 410 HA THR 55 HA THR 55 16.134 -31.530 15.794 411 HB THR 55 HB THR 55 15.972 -31.340 18.798 412 HG1 THR 55 HG1 THR 55 18.018 -30.434 17.037 413 HG21 THR 55 1HG2 THR 55 16.376 -33.566 18.024 414 HG22 THR 55 2HG2 THR 55 17.912 -32.925 18.607 415 HG23 THR 55 3HG2 THR 55 17.591 -33.005 16.875 416 H GLU 56 H GLU 56 14.483 -32.686 14.980 417 HA GLU 56 HA GLU 56 12.050 -33.088 16.507 418 HB2 GLU 56 2HB GLU 56 12.931 -33.568 13.718 419 HB3 GLU 56 3HB GLU 56 11.709 -34.663 14.350 420 HG2 GLU 56 2HG GLU 56 11.310 -31.743 14.714 421 HG3 GLU 56 3HG GLU 56 11.062 -32.436 13.112
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