NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
590458 | 2mpk | 19987 | 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 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.667 0.748 -1.893 3 HB2 MET 1 2HB MET 1 3.730 0.308 0.097 4 HB3 MET 1 3HB MET 1 4.188 -0.369 -1.459 5 HG2 MET 1 2HG MET 1 3.076 2.377 -1.424 6 HG3 MET 1 3HG MET 1 4.705 2.137 -0.796 7 HE1 MET 1 3HE MET 1 5.277 3.992 -3.382 8 HE2 MET 1 1HE MET 1 4.156 3.507 -4.656 9 HE3 MET 1 2HE MET 1 3.551 3.863 -3.038 10 H GLY 2 H GLY 2 2.595 -2.284 -0.256 11 HA2 GLY 2 2HA GLY 2 2.115 -4.460 -0.947 12 HA3 GLY 2 3HA GLY 2 1.455 -3.814 -2.442 13 H THR 3 H THR 3 4.578 -4.121 -0.755 14 HA THR 3 HA THR 3 5.760 -5.298 -3.117 15 HB THR 3 HB THR 3 6.063 -2.962 -3.668 16 HG1 THR 3 HG1 THR 3 8.478 -2.949 -3.491 17 HG21 THR 3 3HG2 THR 3 7.448 -2.683 -0.998 18 HG22 THR 3 1HG2 THR 3 5.846 -2.056 -1.381 19 HG23 THR 3 2HG2 THR 3 7.264 -1.423 -2.218 20 H ILE 4 H ILE 4 7.712 -6.372 -2.705 21 HA ILE 4 HA ILE 4 8.026 -7.554 -0.234 22 HB ILE 4 HB ILE 4 10.170 -7.104 -2.313 23 HG12 ILE 4 2HG1 ILE 4 8.244 -8.268 -3.235 24 HG13 ILE 4 3HG1 ILE 4 9.577 -9.401 -3.037 25 HG21 ILE 4 1HG2 ILE 4 10.314 -8.235 0.298 26 HG22 ILE 4 2HG2 ILE 4 10.547 -9.516 -0.890 27 HG23 ILE 4 3HG2 ILE 4 11.584 -8.090 -0.917 28 HD11 ILE 4 3HD1 ILE 4 8.555 -10.240 -0.987 29 HD12 ILE 4 1HD1 ILE 4 7.218 -9.109 -1.193 30 HD13 ILE 4 2HD1 ILE 4 7.473 -10.398 -2.370 31 H ASP 5 H ASP 5 9.638 -4.679 -1.516 32 HA ASP 5 HA ASP 5 11.524 -4.252 0.462 33 HB2 ASP 5 2HB ASP 5 9.934 -2.314 -1.213 34 HB3 ASP 5 3HB ASP 5 11.192 -1.780 -0.102 35 H ASP 6 H ASP 6 8.077 -3.750 0.542 36 HA ASP 6 HA ASP 6 7.942 -2.054 2.788 37 HB2 ASP 6 2HB ASP 6 6.073 -2.573 1.160 38 HB3 ASP 6 3HB ASP 6 5.872 -4.108 2.002 39 H ALA 7 H ALA 7 8.097 -5.555 2.463 40 HA ALA 7 HA ALA 7 7.503 -6.241 5.119 41 HB1 ALA 7 1HB ALA 7 8.916 -8.318 4.541 42 HB2 ALA 7 2HB ALA 7 7.444 -8.014 3.618 43 HB3 ALA 7 3HB ALA 7 9.016 -7.612 2.927 44 H PHE 8 H PHE 8 10.575 -5.468 3.536 45 HA PHE 8 HA PHE 8 12.178 -5.989 5.833 46 HB2 PHE 8 2HB PHE 8 12.908 -4.194 3.520 47 HB3 PHE 8 3HB PHE 8 13.997 -5.085 4.579 48 HD1 PHE 8 HD1 PHE 8 12.785 -7.743 4.619 49 HD2 PHE 8 HD2 PHE 8 13.297 -5.013 1.394 50 HE1 PHE 8 HE1 PHE 8 12.790 -9.624 3.032 51 HE2 PHE 8 HE2 PHE 8 13.302 -6.888 -0.198 52 HZ PHE 8 HZ PHE 8 13.047 -9.197 0.620 53 H ARG 9 H ARG 9 10.492 -3.191 4.590 54 HA ARG 9 HA ARG 9 11.774 -1.316 6.343 55 HB2 ARG 9 2HB ARG 9 9.331 -1.157 4.582 56 HB3 ARG 9 3HB ARG 9 9.857 0.182 5.594 57 HG2 ARG 9 2HG ARG 9 11.949 0.317 4.408 58 HG3 ARG 9 3HG ARG 9 11.540 -1.116 3.462 59 HD2 ARG 9 2HD ARG 9 10.309 0.069 2.026 60 HD3 ARG 9 3HD ARG 9 9.480 0.925 3.325 61 HE ARG 9 HE ARG 9 10.886 2.691 2.989 62 HH11 ARG 9 2HH1 ARG 9 12.309 -0.156 1.578 63 HH12 ARG 9 1HH1 ARG 9 13.629 0.703 0.856 64 HH21 ARG 9 2HH2 ARG 9 12.620 3.833 2.044 65 HH22 ARG 9 1HH2 ARG 9 13.806 2.971 1.122 66 H ALA 10 H ALA 10 8.911 -3.316 6.440 67 HA ALA 10 HA ALA 10 7.736 -2.010 8.704 68 HB1 ALA 10 1HB ALA 10 6.990 -4.806 8.151 69 HB2 ALA 10 2HB ALA 10 5.976 -3.381 8.381 70 HB3 ALA 10 3HB ALA 10 6.752 -3.669 6.824 71 H ILE 11 H ILE 11 10.068 -4.533 8.222 72 HA ILE 11 HA ILE 11 9.921 -5.984 10.558 73 HB ILE 11 HB ILE 11 11.568 -6.176 8.543 74 HG12 ILE 11 2HG1 ILE 11 13.275 -7.231 10.324 75 HG13 ILE 11 3HG1 ILE 11 11.897 -6.973 11.388 76 HG21 ILE 11 1HG2 ILE 11 13.437 -4.824 10.456 77 HG22 ILE 11 2HG2 ILE 11 13.681 -5.218 8.756 78 HG23 ILE 11 3HG2 ILE 11 12.587 -3.912 9.209 79 HD11 ILE 11 3HD1 ILE 11 12.288 -9.199 9.939 80 HD12 ILE 11 1HD1 ILE 11 10.702 -8.622 10.449 81 HD13 ILE 11 2HD1 ILE 11 11.288 -8.269 8.823 82 H GLU 12 H GLU 12 11.041 -2.723 10.085 83 HA GLU 12 HA GLU 12 12.525 -2.400 12.448 84 HB2 GLU 12 2HB GLU 12 12.015 -0.825 10.310 85 HB3 GLU 12 3HB GLU 12 10.956 -0.078 11.499 86 HG2 GLU 12 2HG GLU 12 12.870 0.187 13.013 87 HG3 GLU 12 3HG GLU 12 13.920 -0.514 11.784 88 H ARG 13 H ARG 13 9.080 -2.044 11.769 89 HA ARG 13 HA ARG 13 8.373 -0.976 14.298 90 HB2 ARG 13 2HB ARG 13 7.064 -1.475 11.895 91 HB3 ARG 13 3HB ARG 13 6.274 -2.550 13.041 92 HG2 ARG 13 2HG ARG 13 4.996 -0.656 13.231 93 HG3 ARG 13 3HG ARG 13 6.160 -0.419 14.535 94 HD2 ARG 13 2HD ARG 13 7.499 0.745 12.524 95 HD3 ARG 13 3HD ARG 13 5.847 1.025 11.975 96 HE ARG 13 HE ARG 13 6.198 1.738 14.713 97 HH11 ARG 13 2HH1 ARG 13 6.729 2.818 11.446 98 HH12 ARG 13 1HH1 ARG 13 6.704 4.500 11.860 99 HH21 ARG 13 2HH2 ARG 13 6.162 3.950 15.270 100 HH22 ARG 13 1HH2 ARG 13 6.382 5.143 14.035 101 H ALA 14 H ALA 14 8.899 -4.205 13.115 102 HA ALA 14 HA ALA 14 7.539 -5.616 15.155 103 HB1 ALA 14 1HB ALA 14 8.550 -7.552 14.313 104 HB2 ALA 14 2HB ALA 14 8.385 -6.495 12.910 105 HB3 ALA 14 3HB ALA 14 9.949 -6.665 13.707 106 H ILE 15 H ILE 15 10.976 -4.770 14.759 107 HA ILE 15 HA ILE 15 11.705 -5.812 17.323 108 HB ILE 15 HB ILE 15 13.335 -5.721 15.502 109 HG12 ILE 15 2HG1 ILE 15 14.836 -3.920 17.104 110 HG13 ILE 15 3HG1 ILE 15 13.735 -4.778 18.176 111 HG21 ILE 15 1HG2 ILE 15 13.206 -2.725 15.809 112 HG22 ILE 15 2HG2 ILE 15 14.270 -3.625 14.730 113 HG23 ILE 15 3HG2 ILE 15 12.527 -3.641 14.464 114 HD11 ILE 15 3HD1 ILE 15 15.021 -6.571 18.119 115 HD12 ILE 15 1HD1 ILE 15 14.933 -6.628 16.358 116 HD13 ILE 15 2HD1 ILE 15 16.183 -5.666 17.149 117 H GLN 16 H GLN 16 10.898 -2.640 16.037 118 HA GLN 16 HA GLN 16 11.721 -1.102 18.244 119 HB2 GLN 16 2HB GLN 16 9.804 -0.683 15.987 120 HB3 GLN 16 3HB GLN 16 9.824 0.466 17.318 121 HG2 GLN 16 2HG GLN 16 12.287 -0.291 15.774 122 HG3 GLN 16 3HG GLN 16 11.236 1.050 15.321 123 HE21 GLN 16 1HE2 GLN 16 11.078 2.845 16.710 124 HE22 GLN 16 2HE2 GLN 16 12.308 3.190 17.873 125 H ALA 17 H ALA 17 8.994 -3.148 17.749 126 HA ALA 17 HA ALA 17 7.160 -2.032 19.550 127 HB1 ALA 17 1HB ALA 17 7.588 -4.799 18.492 128 HB2 ALA 17 2HB ALA 17 6.367 -4.487 19.726 129 HB3 ALA 17 3HB ALA 17 6.273 -3.669 18.167 130 H GLU 18 H GLU 18 9.469 -4.702 20.083 131 HA GLU 18 HA GLU 18 10.458 -5.504 21.968 132 HB2 GLU 18 2HB GLU 18 9.902 -2.738 23.055 133 HB3 GLU 18 3HB GLU 18 11.037 -3.902 23.725 134 HG2 GLU 18 2HG GLU 18 11.899 -3.715 21.151 135 HG3 GLU 18 3HG GLU 18 11.326 -2.077 21.461 136 H ASN 19 H ASN 19 8.037 -6.471 21.778 137 HA ASN 19 HA ASN 19 7.209 -6.802 24.506 138 HB2 ASN 19 2HB ASN 19 6.017 -4.688 23.486 139 HB3 ASN 19 3HB ASN 19 5.000 -5.893 22.702 140 HD21 ASN 19 1HD2 ASN 19 3.144 -5.594 23.789 141 HD22 ASN 19 2HD2 ASN 19 2.959 -5.827 25.491 142 H GLU 20 H GLU 20 5.116 -8.244 24.511 143 HA GLU 20 HA GLU 20 5.480 -10.281 22.414 144 HB2 GLU 20 2HB GLU 20 4.442 -10.774 25.204 145 HB3 GLU 20 3HB GLU 20 4.934 -11.972 24.015 146 HG2 GLU 20 2HG GLU 20 7.250 -11.130 24.179 147 HG3 GLU 20 3HG GLU 20 6.726 -10.025 25.449 148 H GLY 21 H GLY 21 3.874 -10.054 20.984 149 HA2 GLY 21 2HA GLY 21 1.158 -10.456 21.854 150 HA3 GLY 21 3HA GLY 21 1.451 -8.838 21.233 151 H ARG 22 H ARG 22 0.316 -8.898 19.363 152 HA ARG 22 HA ARG 22 0.086 -11.073 17.627 153 HB2 ARG 22 2HB ARG 22 -0.046 -8.136 16.919 154 HB3 ARG 22 3HB ARG 22 -0.705 -9.461 15.970 155 HG2 ARG 22 2HG ARG 22 -2.536 -9.646 17.256 156 HG3 ARG 22 3HG ARG 22 -1.649 -9.325 18.748 157 HD2 ARG 22 2HD ARG 22 -1.647 -6.961 18.294 158 HD3 ARG 22 3HD ARG 22 -2.370 -7.226 16.708 159 HE ARG 22 HE ARG 22 -4.059 -8.306 18.671 160 HH11 ARG 22 2HH1 ARG 22 -2.921 -5.224 17.521 161 HH12 ARG 22 1HH1 ARG 22 -4.349 -4.370 18.004 162 HH21 ARG 22 2HH2 ARG 22 -5.944 -7.193 19.311 163 HH22 ARG 22 1HH2 ARG 22 -6.068 -5.491 19.023 164 H TYR 23 H TYR 23 2.700 -8.925 18.151 165 HA TYR 23 HA TYR 23 3.988 -8.754 15.738 166 HB2 TYR 23 2HB TYR 23 5.374 -9.341 18.359 167 HB3 TYR 23 3HB TYR 23 6.053 -8.512 16.962 168 HD1 TYR 23 HD2 TYR 23 4.688 -6.355 16.218 169 HD2 TYR 23 HD1 TYR 23 4.609 -8.057 20.117 170 HE1 TYR 23 HE2 TYR 23 3.957 -4.195 17.140 171 HE2 TYR 23 HE1 TYR 23 3.876 -5.902 21.049 172 HH TYR 23 HH TYR 23 2.702 -3.393 19.176 173 H ARG 24 H ARG 24 3.582 -11.551 17.765 174 HA ARG 24 HA ARG 24 5.615 -13.165 16.640 175 HB2 ARG 24 2HB ARG 24 4.329 -15.058 17.620 176 HB3 ARG 24 3HB ARG 24 4.653 -13.763 18.764 177 HG2 ARG 24 2HG ARG 24 2.485 -13.958 19.265 178 HG3 ARG 24 3HG ARG 24 2.230 -13.016 17.794 179 HD2 ARG 24 2HD ARG 24 2.229 -15.295 16.596 180 HD3 ARG 24 3HD ARG 24 1.992 -15.977 18.204 181 HE ARG 24 HE ARG 24 0.133 -13.885 17.543 182 HH11 ARG 24 2HH1 ARG 24 0.805 -17.295 17.341 183 HH12 ARG 24 1HH1 ARG 24 -0.860 -17.746 17.175 184 HH21 ARG 24 2HH2 ARG 24 -2.062 -14.466 17.326 185 HH22 ARG 24 1HH2 ARG 24 -2.490 -16.136 17.166 186 H GLU 25 H GLU 25 2.158 -12.817 15.919 187 HA GLU 25 HA GLU 25 2.226 -14.741 13.793 188 HB2 GLU 25 2HB GLU 25 -0.072 -14.125 13.394 189 HB3 GLU 25 3HB GLU 25 0.186 -14.268 15.127 190 HG2 GLU 25 2HG GLU 25 -0.009 -12.007 15.484 191 HG3 GLU 25 3HG GLU 25 0.439 -11.599 13.829 192 H ALA 26 H ALA 26 2.870 -11.376 14.092 193 HA ALA 26 HA ALA 26 2.329 -10.522 11.466 194 HB1 ALA 26 1HB ALA 26 3.954 -8.689 11.988 195 HB2 ALA 26 2HB ALA 26 2.657 -8.887 13.168 196 HB3 ALA 26 3HB ALA 26 4.274 -9.496 13.524 197 H LEU 27 H LEU 27 5.130 -12.080 12.914 198 HA LEU 27 HA LEU 27 6.993 -11.683 10.882 199 HB2 LEU 27 2HB LEU 27 6.615 -13.645 13.059 200 HB3 LEU 27 3HB LEU 27 7.697 -14.123 11.752 201 HG LEU 27 HG LEU 27 7.995 -11.664 13.477 202 HD11 LEU 27 1HD1 LEU 27 10.046 -13.766 13.488 203 HD12 LEU 27 2HD1 LEU 27 8.507 -14.215 14.223 204 HD13 LEU 27 3HD1 LEU 27 9.389 -12.807 14.815 205 HD21 LEU 27 3HD2 LEU 27 9.177 -10.924 11.725 206 HD22 LEU 27 1HD2 LEU 27 9.226 -12.513 10.963 207 HD23 LEU 27 2HD2 LEU 27 10.384 -12.107 12.229 208 H LYS 28 H LYS 28 4.413 -14.052 11.186 209 HA LYS 28 HA LYS 28 5.076 -15.848 9.203 210 HB2 LYS 28 2HB LYS 28 2.884 -15.420 10.799 211 HB3 LYS 28 3HB LYS 28 2.238 -15.100 9.195 212 HG2 LYS 28 2HG LYS 28 2.546 -17.260 8.487 213 HG3 LYS 28 3HG LYS 28 3.845 -17.567 9.641 214 HD2 LYS 28 2HD LYS 28 2.208 -17.556 11.470 215 HD3 LYS 28 3HD LYS 28 0.914 -17.273 10.303 216 HE2 LYS 28 2HE LYS 28 2.615 -19.561 9.653 217 HE3 LYS 28 3HE LYS 28 1.759 -19.726 11.186 218 HZ1 LYS 28 3HZ LYS 28 -0.015 -18.719 9.257 219 HZ2 LYS 28 1HZ LYS 28 -0.082 -20.196 10.081 220 HZ3 LYS 28 2HZ LYS 28 0.750 -20.084 8.613 221 H HIS 29 H HIS 29 3.680 -12.636 8.892 222 HA HIS 29 HA HIS 29 2.972 -12.766 6.175 223 HB2 HIS 29 2HB HIS 29 2.497 -10.950 8.025 224 HB3 HIS 29 3HB HIS 29 3.957 -10.209 7.376 225 HD1 HIS 29 HD1 HIS 29 0.398 -10.294 6.899 226 HD2 HIS 29 HD2 HIS 29 3.703 -9.780 4.434 227 HE1 HIS 29 HE1 HIS 29 -0.488 -9.228 4.801 228 H PHE 30 H PHE 30 5.996 -11.926 7.784 229 HA PHE 30 HA PHE 30 7.353 -11.041 5.458 230 HB2 PHE 30 2HB PHE 30 8.012 -10.577 7.859 231 HB3 PHE 30 3HB PHE 30 8.630 -12.224 7.925 232 HD1 PHE 30 HD2 PHE 30 10.355 -12.863 6.089 233 HD2 PHE 30 HD1 PHE 30 9.400 -8.864 7.190 234 HE1 PHE 30 HE2 PHE 30 12.496 -12.097 5.150 235 HE2 PHE 30 HE1 PHE 30 11.540 -8.091 6.252 236 HZ PHE 30 HZ PHE 30 13.091 -9.708 5.231 237 H LEU 31 H LEU 31 7.168 -14.164 7.112 238 HA LEU 31 HA LEU 31 9.062 -15.546 5.595 239 HB2 LEU 31 2HB LEU 31 6.943 -16.189 7.457 240 HB3 LEU 31 3HB LEU 31 7.072 -17.399 6.182 241 HG LEU 31 HG LEU 31 9.377 -16.528 7.921 242 HD11 LEU 31 1HD1 LEU 31 9.037 -18.443 9.257 243 HD12 LEU 31 2HD1 LEU 31 7.799 -19.075 8.172 244 HD13 LEU 31 3HD1 LEU 31 7.469 -17.643 9.147 245 HD21 LEU 31 3HD2 LEU 31 9.273 -17.952 5.506 246 HD22 LEU 31 1HD2 LEU 31 9.553 -19.150 6.770 247 HD23 LEU 31 2HD2 LEU 31 10.647 -17.778 6.598 248 H ASP 32 H ASP 32 5.762 -14.672 4.891 249 HA ASP 32 HA ASP 32 5.301 -16.462 2.759 250 HB2 ASP 32 2HB ASP 32 3.926 -14.296 4.012 251 HB3 ASP 32 3HB ASP 32 3.908 -14.028 2.271 252 H GLY 33 H GLY 33 6.749 -13.247 2.907 253 HA2 GLY 33 2HA GLY 33 6.905 -12.816 0.114 254 HA3 GLY 33 3HA GLY 33 7.874 -12.005 1.336 255 H GLY 34 H GLY 34 8.878 -14.652 2.316 256 HA2 GLY 34 2HA GLY 34 11.295 -14.729 0.938 257 HA3 GLY 34 3HA GLY 34 10.679 -16.026 1.950 258 H GLU 35 H GLU 35 8.286 -16.364 0.247 259 HA GLU 35 HA GLU 35 9.404 -18.272 -1.563 260 HB2 GLU 35 2HB GLU 35 6.552 -17.294 -1.335 261 HB3 GLU 35 3HB GLU 35 7.085 -18.736 -2.188 262 HG2 GLU 35 2HG GLU 35 7.759 -19.773 -0.135 263 HG3 GLU 35 3HG GLU 35 7.427 -18.296 0.768 264 H MET 36 H MET 36 8.638 -14.958 -1.777 265 HA MET 36 HA MET 36 8.034 -14.820 -4.553 266 HB2 MET 36 2HB MET 36 9.107 -12.680 -2.706 267 HB3 MET 36 3HB MET 36 8.421 -12.404 -4.301 268 HG2 MET 36 2HG MET 36 6.644 -13.905 -2.563 269 HG3 MET 36 3HG MET 36 7.073 -12.327 -1.908 270 HE1 MET 36 3HE MET 36 3.907 -13.346 -4.672 271 HE2 MET 36 1HE MET 36 5.371 -13.830 -5.530 272 HE3 MET 36 2HE MET 36 5.084 -14.400 -3.886 273 H ILE 37 H ILE 37 10.996 -14.659 -2.670 274 HA ILE 37 HA ILE 37 12.628 -13.915 -4.925 275 HB ILE 37 HB ILE 37 13.048 -13.509 -2.361 276 HG12 ILE 37 2HG1 ILE 37 15.318 -14.309 -4.193 277 HG13 ILE 37 3HG1 ILE 37 14.469 -12.769 -4.277 278 HG21 ILE 37 1HG2 ILE 37 14.704 -15.982 -2.680 279 HG22 ILE 37 2HG2 ILE 37 14.278 -15.107 -1.210 280 HG23 ILE 37 3HG2 ILE 37 13.061 -16.071 -2.046 281 HD11 ILE 37 3HD1 ILE 37 15.916 -13.729 -1.827 282 HD12 ILE 37 1HD1 ILE 37 16.657 -12.726 -3.074 283 HD13 ILE 37 2HD1 ILE 37 15.284 -12.115 -2.150 284 H VAL 38 H VAL 38 11.541 -16.853 -3.447 285 HA VAL 38 HA VAL 38 13.556 -18.550 -4.567 286 HB VAL 38 HB VAL 38 10.827 -19.251 -3.475 287 HG11 VAL 38 1HG1 VAL 38 13.044 -20.874 -4.583 288 HG12 VAL 38 2HG1 VAL 38 12.240 -21.486 -3.136 289 HG13 VAL 38 3HG1 VAL 38 11.305 -21.167 -4.598 290 HG21 VAL 38 3HG2 VAL 38 11.756 -18.680 -1.522 291 HG22 VAL 38 1HG2 VAL 38 12.729 -20.140 -1.699 292 HG23 VAL 38 2HG2 VAL 38 13.372 -18.583 -2.221 293 H THR 39 H THR 39 10.141 -17.924 -5.353 294 HA THR 39 HA THR 39 9.823 -19.606 -7.504 295 HB THR 39 HB THR 39 7.933 -18.383 -6.678 296 HG1 THR 39 HG1 THR 39 7.239 -18.569 -8.664 297 HG21 THR 39 3HG2 THR 39 9.097 -16.337 -5.995 298 HG22 THR 39 1HG2 THR 39 7.685 -15.967 -6.985 299 HG23 THR 39 2HG2 THR 39 9.301 -15.885 -7.688 300 H ALA 40 H ALA 40 11.386 -16.451 -7.412 301 HA ALA 40 HA ALA 40 11.678 -16.112 -10.201 302 HB1 ALA 40 1HB ALA 40 13.760 -14.705 -9.219 303 HB2 ALA 40 2HB ALA 40 12.096 -14.121 -9.236 304 HB3 ALA 40 3HB ALA 40 12.760 -14.849 -7.773 305 H ALA 41 H ALA 41 13.676 -17.680 -7.756 306 HA ALA 41 HA ALA 41 15.882 -18.162 -9.516 307 HB1 ALA 41 1HB ALA 41 16.202 -19.968 -7.503 308 HB2 ALA 41 2HB ALA 41 16.748 -18.291 -7.452 309 HB3 ALA 41 3HB ALA 41 15.205 -18.739 -6.725 310 H GLU 42 H GLU 42 13.139 -20.071 -8.349 311 HA GLU 42 HA GLU 42 13.894 -22.527 -9.487 312 HB2 GLU 42 2HB GLU 42 11.204 -21.384 -8.746 313 HB3 GLU 42 3HB GLU 42 11.393 -23.013 -9.378 314 HG2 GLU 42 2HG GLU 42 13.246 -22.902 -7.344 315 HG3 GLU 42 3HG GLU 42 11.884 -21.978 -6.713 316 H LYS 43 H LYS 43 11.704 -20.001 -10.713 317 HA LYS 43 HA LYS 43 11.063 -21.214 -13.141 318 HB2 LYS 43 2HB LYS 43 10.521 -18.775 -11.881 319 HB3 LYS 43 3HB LYS 43 11.286 -18.337 -13.402 320 HG2 LYS 43 2HG LYS 43 9.340 -18.626 -14.410 321 HG3 LYS 43 3HG LYS 43 9.430 -20.345 -14.021 322 HD2 LYS 43 2HD LYS 43 8.042 -20.145 -12.204 323 HD3 LYS 43 3HD LYS 43 8.478 -18.458 -11.922 324 HE2 LYS 43 2HE LYS 43 7.223 -18.707 -14.482 325 HE3 LYS 43 3HE LYS 43 6.212 -19.473 -13.258 326 HZ1 LYS 43 3HZ LYS 43 7.326 -16.854 -12.616 327 HZ2 LYS 43 1HZ LYS 43 5.819 -17.515 -12.223 328 HZ3 LYS 43 2HZ LYS 43 6.093 -16.898 -13.774 329 H GLU 44 H GLU 44 13.961 -19.649 -12.114 330 HA GLU 44 HA GLU 44 14.970 -19.578 -14.873 331 HB2 GLU 44 2HB GLU 44 16.200 -18.346 -12.403 332 HB3 GLU 44 3HB GLU 44 16.711 -18.101 -14.067 333 HG2 GLU 44 2HG GLU 44 13.965 -17.355 -13.123 334 HG3 GLU 44 3HG GLU 44 15.340 -16.262 -12.977 335 H ALA 45 H ALA 45 17.651 -19.750 -14.486 336 HA ALA 45 HA ALA 45 18.449 -21.898 -12.807 337 HB1 ALA 45 1HB ALA 45 17.554 -23.530 -14.092 338 HB2 ALA 45 2HB ALA 45 17.542 -22.533 -15.547 339 HB3 ALA 45 3HB ALA 45 19.040 -23.296 -15.012 340 H SER 46 H SER 46 19.229 -20.705 -16.082 341 HA SER 46 HA SER 46 22.049 -20.679 -15.466 342 HB2 SER 46 2HB SER 46 20.948 -19.399 -17.933 343 HB3 SER 46 3HB SER 46 22.406 -20.369 -17.728 344 HG SER 46 HG SER 46 21.151 -21.832 -18.616 345 H GLN 47 H GLN 47 21.160 -19.095 -13.619 346 HA GLN 47 HA GLN 47 21.859 -16.398 -14.547 347 HB2 GLN 47 2HB GLN 47 19.319 -16.908 -14.014 348 HB3 GLN 47 3HB GLN 47 19.856 -16.692 -12.354 349 HG2 GLN 47 2HG GLN 47 19.232 -14.565 -12.833 350 HG3 GLN 47 3HG GLN 47 20.918 -14.496 -13.342 351 HE21 GLN 47 1HE2 GLN 47 17.676 -14.160 -14.275 352 HE22 GLN 47 2HE2 GLN 47 17.938 -13.883 -15.960 353 H LYS 48 H LYS 48 23.404 -15.450 -13.378 354 HA LYS 48 HA LYS 48 24.699 -16.846 -11.278 355 HB2 LYS 48 2HB LYS 48 25.049 -13.923 -11.931 356 HB3 LYS 48 3HB LYS 48 26.220 -15.011 -11.197 357 HG2 LYS 48 2HG LYS 48 25.621 -16.210 -13.618 358 HG3 LYS 48 3HG LYS 48 25.674 -14.484 -13.988 359 HD2 LYS 48 2HD LYS 48 27.881 -15.224 -14.281 360 HD3 LYS 48 3HD LYS 48 27.877 -14.454 -12.693 361 HE2 LYS 48 2HE LYS 48 27.283 -16.947 -11.949 362 HE3 LYS 48 3HE LYS 48 28.169 -17.311 -13.429 363 HZ1 LYS 48 3HZ LYS 48 30.108 -16.502 -12.579 364 HZ2 LYS 48 1HZ LYS 48 29.398 -17.067 -11.151 365 HZ3 LYS 48 2HZ LYS 48 29.347 -15.418 -11.526 366 H VAL 49 H VAL 49 22.383 -14.207 -11.373 367 HA VAL 49 HA VAL 49 22.595 -13.540 -8.605 368 HB VAL 49 HB VAL 49 20.416 -12.345 -8.990 369 HG11 VAL 49 1HG1 VAL 49 22.657 -11.308 -9.306 370 HG12 VAL 49 2HG1 VAL 49 22.553 -11.712 -11.021 371 HG13 VAL 49 3HG1 VAL 49 21.393 -10.592 -10.305 372 HG21 VAL 49 3HG2 VAL 49 20.817 -13.164 -11.863 373 HG22 VAL 49 1HG2 VAL 49 19.637 -13.903 -10.781 374 HG23 VAL 49 2HG2 VAL 49 19.504 -12.194 -11.197 375 H ARG 50 H ARG 50 20.693 -15.804 -10.465 376 HA ARG 50 HA ARG 50 18.599 -16.362 -8.770 377 HB2 ARG 50 2HB ARG 50 18.686 -17.412 -10.914 378 HB3 ARG 50 3HB ARG 50 20.211 -18.201 -10.535 379 HG2 ARG 50 2HG ARG 50 18.240 -18.956 -8.604 380 HG3 ARG 50 3HG ARG 50 17.616 -19.221 -10.234 381 HD2 ARG 50 2HD ARG 50 18.705 -21.195 -9.971 382 HD3 ARG 50 3HD ARG 50 20.057 -20.232 -10.566 383 HE ARG 50 HE ARG 50 20.040 -19.977 -7.806 384 HH11 ARG 50 2HH1 ARG 50 20.434 -22.507 -10.165 385 HH12 ARG 50 1HH1 ARG 50 21.469 -23.464 -9.158 386 HH21 ARG 50 2HH2 ARG 50 21.403 -21.228 -6.471 387 HH22 ARG 50 1HH2 ARG 50 22.019 -22.735 -7.056 388 H ASN 51 H ASN 51 21.957 -17.339 -8.502 389 HA ASN 51 HA ASN 51 21.556 -19.231 -6.410 390 HB2 ASN 51 2HB ASN 51 23.562 -19.082 -7.975 391 HB3 ASN 51 3HB ASN 51 24.117 -17.739 -6.981 392 HD21 ASN 51 1HD2 ASN 51 25.612 -18.331 -5.606 393 HD22 ASN 51 2HD2 ASN 51 25.692 -19.839 -4.766 394 H LEU 52 H LEU 52 22.239 -15.788 -6.532 395 HA LEU 52 HA LEU 52 22.716 -15.553 -3.709 396 HB2 LEU 52 2HB LEU 52 23.511 -14.041 -5.685 397 HB3 LEU 52 3HB LEU 52 21.956 -13.246 -5.448 398 HG LEU 52 HG LEU 52 22.584 -12.719 -3.137 399 HD11 LEU 52 1HD1 LEU 52 24.056 -14.214 -2.289 400 HD12 LEU 52 2HD1 LEU 52 25.221 -13.010 -2.838 401 HD13 LEU 52 3HD1 LEU 52 24.893 -14.434 -3.826 402 HD21 LEU 52 3HD2 LEU 52 23.227 -11.329 -5.251 403 HD22 LEU 52 1HD2 LEU 52 24.872 -11.796 -4.817 404 HD23 LEU 52 2HD2 LEU 52 23.881 -10.893 -3.671 405 H LEU 53 H LEU 53 19.983 -15.161 -5.871 406 HA LEU 53 HA LEU 53 18.239 -13.808 -4.150 407 HB2 LEU 53 2HB LEU 53 17.916 -15.572 -6.522 408 HB3 LEU 53 3HB LEU 53 16.490 -15.206 -5.554 409 HG LEU 53 HG LEU 53 17.875 -12.773 -6.135 410 HD11 LEU 53 1HD1 LEU 53 16.946 -13.898 -8.695 411 HD12 LEU 53 2HD1 LEU 53 18.494 -14.499 -8.100 412 HD13 LEU 53 3HD1 LEU 53 18.259 -12.770 -8.355 413 HD21 LEU 53 3HD2 LEU 53 15.202 -13.970 -6.410 414 HD22 LEU 53 1HD2 LEU 53 15.572 -12.670 -7.543 415 HD23 LEU 53 2HD2 LEU 53 15.683 -12.383 -5.806 416 H LEU 54 H LEU 54 18.904 -17.256 -4.538 417 HA LEU 54 HA LEU 54 16.898 -18.069 -2.658 418 HB2 LEU 54 2HB LEU 54 19.256 -19.579 -3.777 419 HB3 LEU 54 3HB LEU 54 17.929 -20.287 -2.858 420 HG LEU 54 HG LEU 54 17.208 -18.810 -5.323 421 HD11 LEU 54 1HD1 LEU 54 17.795 -21.507 -6.037 422 HD12 LEU 54 2HD1 LEU 54 19.252 -20.753 -5.393 423 HD13 LEU 54 3HD1 LEU 54 18.403 -20.012 -6.749 424 HD21 LEU 54 3HD2 LEU 54 15.765 -20.193 -3.594 425 HD22 LEU 54 1HD2 LEU 54 16.277 -21.541 -4.610 426 HD23 LEU 54 2HD2 LEU 54 15.391 -20.190 -5.318 427 H HIS 55 H HIS 55 20.457 -17.943 -2.584 428 HA HIS 55 HA HIS 55 20.823 -18.801 0.036 429 HB2 HIS 55 2HB HIS 55 22.586 -18.383 -1.768 430 HB3 HIS 55 3HB HIS 55 22.537 -16.694 -1.273 431 HD1 HIS 55 HD1 HIS 55 24.611 -16.312 0.020 432 HD2 HIS 55 HD2 HIS 55 22.794 -19.908 1.033 433 HE1 HIS 55 HE1 HIS 55 25.973 -17.242 1.918 434 H LYS 56 H LYS 56 20.372 -15.505 -1.205 435 HA LYS 56 HA LYS 56 20.534 -14.264 1.351 436 HB2 LYS 56 2HB LYS 56 19.452 -13.322 -1.304 437 HB3 LYS 56 3HB LYS 56 19.496 -12.303 0.128 438 HG2 LYS 56 2HG LYS 56 21.995 -12.797 0.199 439 HG3 LYS 56 3HG LYS 56 21.795 -13.420 -1.441 440 HD2 LYS 56 2HD LYS 56 22.389 -11.212 -1.816 441 HD3 LYS 56 3HD LYS 56 20.627 -11.146 -1.890 442 HE2 LYS 56 2HE LYS 56 20.460 -10.167 0.225 443 HE3 LYS 56 3HE LYS 56 22.093 -10.652 0.679 444 HZ1 LYS 56 3HZ LYS 56 21.311 -8.525 -1.232 445 HZ2 LYS 56 1HZ LYS 56 22.896 -9.098 -1.083 446 HZ3 LYS 56 2HZ LYS 56 22.143 -8.345 0.230 447 H GLY 57 H GLY 57 17.956 -15.694 -0.515 448 HA2 GLY 57 2HA GLY 57 15.791 -14.519 0.911 449 HA3 GLY 57 3HA GLY 57 15.709 -15.957 -0.096 450 H LYS 58 H LYS 58 17.305 -17.736 1.134 451 HA LYS 58 HA LYS 58 15.719 -18.626 3.290 452 HB2 LYS 58 2HB LYS 58 17.483 -20.362 3.573 453 HB3 LYS 58 3HB LYS 58 16.894 -20.222 1.921 454 HG2 LYS 58 2HG LYS 58 19.162 -20.386 1.604 455 HG3 LYS 58 3HG LYS 58 18.928 -18.637 1.609 456 HD2 LYS 58 2HD LYS 58 20.391 -18.475 3.275 457 HD3 LYS 58 3HD LYS 58 19.307 -19.427 4.293 458 HE2 LYS 58 2HE LYS 58 20.353 -21.469 3.129 459 HE3 LYS 58 3HE LYS 58 21.617 -20.352 2.616 460 HZ1 LYS 58 3HZ LYS 58 22.473 -21.127 4.573 461 HZ2 LYS 58 1HZ LYS 58 20.962 -21.304 5.313 462 HZ3 LYS 58 2HZ LYS 58 21.643 -19.766 5.141 463 H GLU 59 H GLU 59 18.481 -16.565 3.128 464 HA GLU 59 HA GLU 59 19.251 -16.896 5.881 465 HB2 GLU 59 2HB GLU 59 20.217 -15.418 3.548 466 HB3 GLU 59 3HB GLU 59 20.358 -14.511 5.047 467 HG2 GLU 59 2HG GLU 59 21.401 -17.307 4.692 468 HG3 GLU 59 3HG GLU 59 22.366 -15.858 4.420 469 H VAL 60 H VAL 60 17.963 -14.108 4.060 470 HA VAL 60 HA VAL 60 17.404 -12.450 6.189 471 HB VAL 60 HB VAL 60 17.216 -11.788 3.809 472 HG11 VAL 60 1HG1 VAL 60 14.578 -13.247 3.912 473 HG12 VAL 60 2HG1 VAL 60 15.168 -12.260 2.574 474 HG13 VAL 60 3HG1 VAL 60 16.001 -13.755 3.002 475 HG21 VAL 60 3HG2 VAL 60 15.994 -10.025 4.433 476 HG22 VAL 60 1HG2 VAL 60 14.563 -11.016 4.717 477 HG23 VAL 60 2HG2 VAL 60 15.789 -10.856 5.975 478 H LEU 61 H LEU 61 15.617 -15.224 5.042 479 HA LEU 61 HA LEU 61 13.198 -14.717 6.420 480 HB2 LEU 61 2HB LEU 61 14.408 -16.916 4.933 481 HB3 LEU 61 3HB LEU 61 13.371 -17.455 6.252 482 HG LEU 61 HG LEU 61 11.555 -16.013 5.268 483 HD11 LEU 61 1HD1 LEU 61 13.573 -14.959 3.755 484 HD12 LEU 61 2HD1 LEU 61 11.850 -14.798 3.417 485 HD13 LEU 61 3HD1 LEU 61 12.790 -16.062 2.624 486 HD21 LEU 61 3HD2 LEU 61 10.785 -17.828 4.204 487 HD22 LEU 61 1HD2 LEU 61 12.286 -18.587 4.736 488 HD23 LEU 61 2HD2 LEU 61 12.172 -17.898 3.116 489 H GLU 62 H GLU 62 16.135 -16.488 7.279 490 HA GLU 62 HA GLU 62 15.080 -17.292 9.841 491 HB2 GLU 62 2HB GLU 62 17.627 -17.690 8.352 492 HB3 GLU 62 3HB GLU 62 17.675 -17.844 10.102 493 HG2 GLU 62 2HG GLU 62 15.473 -19.289 8.831 494 HG3 GLU 62 3HG GLU 62 17.079 -19.848 8.366 495 H TRP 63 H TRP 63 16.969 -14.681 8.554 496 HA TRP 63 HA TRP 63 18.018 -13.800 11.072 497 HB2 TRP 63 2HB TRP 63 18.542 -13.233 8.399 498 HB3 TRP 63 3HB TRP 63 17.853 -11.738 9.025 499 HD1 TRP 63 HD1 TRP 63 20.788 -14.154 9.707 500 HE1 TRP 63 HE1 TRP 63 22.665 -12.826 10.866 501 HE3 TRP 63 HE3 TRP 63 18.372 -9.689 10.309 502 HZ2 TRP 63 HZ2 TRP 63 23.066 -10.230 11.899 503 HZ3 TRP 63 HZ3 TRP 63 19.572 -7.834 11.392 504 HH2 TRP 63 HH2 TRP 63 21.871 -8.102 12.171 505 H ALA 64 H ALA 64 15.402 -12.696 8.933 506 HA ALA 64 HA ALA 64 14.534 -10.500 10.371 507 HB1 ALA 64 1HB ALA 64 13.297 -12.356 8.437 508 HB2 ALA 64 2HB ALA 64 12.191 -11.392 9.417 509 HB3 ALA 64 3HB ALA 64 13.405 -10.595 8.416 510 H GLU 65 H GLU 65 13.968 -13.909 10.961 511 HA GLU 65 HA GLU 65 11.953 -13.484 12.958 512 HB2 GLU 65 2HB GLU 65 13.617 -15.933 12.346 513 HB3 GLU 65 3HB GLU 65 12.221 -15.894 13.414 514 HG2 GLU 65 2HG GLU 65 10.757 -15.393 11.593 515 HG3 GLU 65 3HG GLU 65 12.119 -15.183 10.494 516 H HIS 66 H HIS 66 15.421 -13.710 12.903 517 HA HIS 66 HA HIS 66 15.858 -14.297 15.628 518 HB2 HIS 66 2HB HIS 66 17.454 -13.501 13.332 519 HB3 HIS 66 3HB HIS 66 18.022 -12.743 14.816 520 HD1 HIS 66 HD1 HIS 66 16.551 -16.191 14.841 521 HD2 HIS 66 HD2 HIS 66 20.279 -14.363 14.990 522 HE1 HIS 66 HE1 HIS 66 18.168 -18.012 15.468 523 H LEU 67 H LEU 67 15.937 -11.184 13.892 524 HA LEU 67 HA LEU 67 16.230 -9.636 16.259 525 HB2 LEU 67 2HB LEU 67 16.041 -7.743 14.880 526 HB3 LEU 67 3HB LEU 67 16.874 -8.961 13.916 527 HG LEU 67 HG LEU 67 14.344 -9.396 13.112 528 HD11 LEU 67 1HD1 LEU 67 13.088 -7.419 12.930 529 HD12 LEU 67 2HD1 LEU 67 14.435 -6.415 13.465 530 HD13 LEU 67 3HD1 LEU 67 13.620 -7.479 14.611 531 HD21 LEU 67 3HD2 LEU 67 14.982 -7.594 11.296 532 HD22 LEU 67 1HD2 LEU 67 15.861 -9.118 11.427 533 HD23 LEU 67 2HD2 LEU 67 16.538 -7.647 12.126 534 H ALA 68 H ALA 68 13.483 -10.706 14.352 535 HA ALA 68 HA ALA 68 11.518 -9.051 15.494 536 HB1 ALA 68 1HB ALA 68 10.970 -10.179 13.494 537 HB2 ALA 68 2HB ALA 68 11.361 -11.754 14.186 538 HB3 ALA 68 3HB ALA 68 9.936 -10.876 14.742 539 H GLU 69 H GLU 69 12.924 -12.096 16.533 540 HA GLU 69 HA GLU 69 11.021 -12.468 18.667 541 HB2 GLU 69 2HB GLU 69 13.547 -13.890 17.854 542 HB3 GLU 69 3HB GLU 69 12.702 -14.286 19.344 543 HG2 GLU 69 2HG GLU 69 10.978 -14.217 16.988 544 HG3 GLU 69 3HG GLU 69 12.251 -15.435 16.917 545 H TRP 70 H TRP 70 14.010 -10.833 18.221 546 HA TRP 70 HA TRP 70 15.239 -10.839 20.651 547 HB2 TRP 70 2HB TRP 70 15.699 -9.459 18.454 548 HB3 TRP 70 3HB TRP 70 14.832 -8.192 19.317 549 HD1 TRP 70 HD1 TRP 70 18.070 -10.242 19.477 550 HE1 TRP 70 HE1 TRP 70 19.725 -9.033 21.034 551 HE3 TRP 70 HE3 TRP 70 14.980 -6.581 21.262 552 HZ2 TRP 70 HZ2 TRP 70 19.722 -6.821 22.787 553 HZ3 TRP 70 HZ3 TRP 70 15.884 -4.958 22.876 554 HH2 TRP 70 HH2 TRP 70 18.206 -5.078 23.622 555 H ILE 71 H ILE 71 12.289 -9.135 19.775 556 HA ILE 71 HA ILE 71 11.969 -7.429 21.909 557 HB ILE 71 HB ILE 71 9.511 -7.735 21.619 558 HG12 ILE 71 2HG1 ILE 71 10.448 -9.910 19.749 559 HG13 ILE 71 3HG1 ILE 71 9.326 -10.053 21.097 560 HG21 ILE 71 1HG2 ILE 71 11.076 -6.301 20.156 561 HG22 ILE 71 2HG2 ILE 71 10.788 -7.523 18.919 562 HG23 ILE 71 3HG2 ILE 71 9.436 -6.609 19.587 563 HD11 ILE 71 3HD1 ILE 71 7.859 -8.421 19.740 564 HD12 ILE 71 1HD1 ILE 71 8.876 -8.901 18.382 565 HD13 ILE 71 2HD1 ILE 71 7.941 -10.115 19.256 566 H LEU 72 H LEU 72 11.153 -10.876 21.742 567 HA LEU 72 HA LEU 72 10.109 -10.988 24.397 568 HB2 LEU 72 2HB LEU 72 11.137 -13.266 22.717 569 HB3 LEU 72 3HB LEU 72 10.031 -13.368 24.085 570 HG LEU 72 HG LEU 72 8.883 -11.653 22.118 571 HD11 LEU 72 1HD1 LEU 72 10.548 -13.139 20.731 572 HD12 LEU 72 2HD1 LEU 72 8.912 -12.823 20.154 573 HD13 LEU 72 3HD1 LEU 72 9.288 -14.355 20.941 574 HD21 LEU 72 3HD2 LEU 72 7.787 -13.065 23.892 575 HD22 LEU 72 1HD2 LEU 72 8.086 -14.460 22.855 576 HD23 LEU 72 2HD2 LEU 72 7.050 -13.149 22.291 577 H GLU 73 H GLU 73 13.223 -11.760 22.912 578 HA GLU 73 HA GLU 73 14.466 -12.962 25.094 579 HB2 GLU 73 2HB GLU 73 15.258 -12.553 22.613 580 HB3 GLU 73 3HB GLU 73 16.026 -11.136 23.315 581 HG2 GLU 73 2HG GLU 73 17.745 -12.489 23.714 582 HG3 GLU 73 3HG GLU 73 16.774 -13.102 25.051 583 H HIS 74 H HIS 74 13.820 -9.603 24.420 584 HA HIS 74 HA HIS 74 15.610 -8.323 26.091 585 HB2 HIS 74 2HB HIS 74 13.767 -7.372 24.505 586 HB3 HIS 74 3HB HIS 74 12.756 -7.405 25.948 587 HD1 HIS 74 HD1 HIS 74 16.314 -6.197 25.283 588 HD2 HIS 74 HD2 HIS 74 12.766 -4.949 27.048 589 HE1 HIS 74 HE1 HIS 74 16.790 -3.905 26.201 Start of MODEL 2 1 H1 MET 1 H MET 1 4.062 -0.930 -4.297 2 HA MET 1 HA MET 1 4.215 -2.311 -1.959 3 HB2 MET 1 2HB MET 1 1.349 -2.001 -2.837 4 HB3 MET 1 3HB MET 1 1.882 -3.333 -1.821 5 HG2 MET 1 2HG MET 1 2.778 -1.584 -0.231 6 HG3 MET 1 3HG MET 1 1.887 -0.402 -1.186 7 HE1 MET 1 3HE MET 1 -0.868 -1.214 -1.845 8 HE2 MET 1 1HE MET 1 -1.741 -0.914 -0.342 9 HE3 MET 1 2HE MET 1 -0.469 0.193 -0.858 10 H GLY 2 H GLY 2 5.401 -3.879 -2.852 11 HA2 GLY 2 2HA GLY 2 4.620 -6.125 -4.016 12 HA3 GLY 2 3HA GLY 2 4.590 -5.046 -5.403 13 H THR 3 H THR 3 6.875 -5.214 -2.692 14 HA THR 3 HA THR 3 8.944 -6.330 -4.375 15 HB THR 3 HB THR 3 9.170 -4.026 -5.037 16 HG1 THR 3 HG1 THR 3 11.291 -3.974 -4.693 17 HG21 THR 3 3HG2 THR 3 9.487 -2.215 -3.480 18 HG22 THR 3 1HG2 THR 3 9.452 -3.327 -2.113 19 HG23 THR 3 2HG2 THR 3 7.994 -3.056 -3.067 20 H ILE 4 H ILE 4 10.774 -7.033 -3.210 21 HA ILE 4 HA ILE 4 10.333 -8.055 -0.686 22 HB ILE 4 HB ILE 4 12.989 -7.350 -1.940 23 HG12 ILE 4 2HG1 ILE 4 11.692 -8.887 -3.311 24 HG13 ILE 4 3HG1 ILE 4 13.027 -9.750 -2.556 25 HG21 ILE 4 1HG2 ILE 4 12.348 -8.343 0.673 26 HG22 ILE 4 2HG2 ILE 4 13.248 -9.559 -0.232 27 HG23 ILE 4 3HG2 ILE 4 13.921 -7.943 -0.015 28 HD11 ILE 4 3HD1 ILE 4 10.851 -9.980 -0.803 29 HD12 ILE 4 1HD1 ILE 4 10.224 -10.276 -2.424 30 HD13 ILE 4 2HD1 ILE 4 11.572 -11.234 -1.811 31 H ASP 5 H ASP 5 11.703 -4.950 -1.605 32 HA ASP 5 HA ASP 5 12.769 -4.134 0.824 33 HB2 ASP 5 2HB ASP 5 12.691 -2.983 -1.549 34 HB3 ASP 5 3HB ASP 5 11.294 -2.156 -0.865 35 H ASP 6 H ASP 6 9.448 -4.329 -0.214 36 HA ASP 6 HA ASP 6 8.289 -2.661 1.737 37 HB2 ASP 6 2HB ASP 6 7.264 -3.772 -0.404 38 HB3 ASP 6 3HB ASP 6 6.867 -5.086 0.700 39 H ALA 7 H ALA 7 9.590 -5.850 1.893 40 HA ALA 7 HA ALA 7 8.190 -6.649 4.270 41 HB1 ALA 7 1HB ALA 7 9.436 -8.056 2.378 42 HB2 ALA 7 2HB ALA 7 10.748 -7.954 3.554 43 HB3 ALA 7 3HB ALA 7 9.201 -8.663 4.018 44 H PHE 8 H PHE 8 11.592 -5.799 3.605 45 HA PHE 8 HA PHE 8 12.554 -5.842 6.186 46 HB2 PHE 8 2HB PHE 8 13.355 -3.824 4.081 47 HB3 PHE 8 3HB PHE 8 14.333 -4.388 5.432 48 HD1 PHE 8 HD1 PHE 8 13.863 -7.291 5.312 49 HD2 PHE 8 HD2 PHE 8 14.541 -4.470 2.197 50 HE1 PHE 8 HE1 PHE 8 14.787 -9.079 3.897 51 HE2 PHE 8 HE2 PHE 8 15.465 -6.254 0.778 52 HZ PHE 8 HZ PHE 8 15.588 -8.563 1.627 53 H ARG 9 H ARG 9 11.046 -3.115 4.480 54 HA ARG 9 HA ARG 9 11.286 -1.229 6.537 55 HB2 ARG 9 2HB ARG 9 9.607 0.048 5.364 56 HB3 ARG 9 3HB ARG 9 10.678 -0.701 4.187 57 HG2 ARG 9 2HG ARG 9 9.033 -2.400 3.708 58 HG3 ARG 9 3HG ARG 9 7.973 -1.766 4.969 59 HD2 ARG 9 2HD ARG 9 8.861 -0.253 2.515 60 HD3 ARG 9 3HD ARG 9 7.301 -1.053 2.705 61 HE ARG 9 HE ARG 9 8.056 1.489 3.746 62 HH11 ARG 9 2HH1 ARG 9 6.093 -1.316 4.372 63 HH12 ARG 9 1HH1 ARG 9 4.944 -0.457 5.343 64 HH21 ARG 9 2HH2 ARG 9 6.551 2.632 5.022 65 HH22 ARG 9 1HH2 ARG 9 5.205 1.789 5.712 66 H ALA 10 H ALA 10 8.882 -3.716 5.929 67 HA ALA 10 HA ALA 10 7.022 -2.822 7.894 68 HB1 ALA 10 1HB ALA 10 5.715 -4.519 7.191 69 HB2 ALA 10 2HB ALA 10 6.860 -4.567 5.849 70 HB3 ALA 10 3HB ALA 10 7.038 -5.685 7.201 71 H ILE 11 H ILE 11 9.858 -4.842 7.946 72 HA ILE 11 HA ILE 11 9.396 -6.221 10.350 73 HB ILE 11 HB ILE 11 11.979 -5.397 9.029 74 HG12 ILE 11 2HG1 ILE 11 10.545 -7.004 7.800 75 HG13 ILE 11 3HG1 ILE 11 12.072 -7.716 8.307 76 HG21 ILE 11 1HG2 ILE 11 11.523 -7.159 11.428 77 HG22 ILE 11 2HG2 ILE 11 13.025 -7.119 10.506 78 HG23 ILE 11 3HG2 ILE 11 12.469 -5.674 11.350 79 HD11 ILE 11 3HD1 ILE 11 10.971 -9.348 9.299 80 HD12 ILE 11 1HD1 ILE 11 10.179 -8.181 10.357 81 HD13 ILE 11 2HD1 ILE 11 9.441 -8.619 8.816 82 H GLU 12 H GLU 12 10.505 -2.980 9.693 83 HA GLU 12 HA GLU 12 11.675 -2.372 12.164 84 HB2 GLU 12 2HB GLU 12 10.459 -0.779 9.957 85 HB3 GLU 12 3HB GLU 12 10.760 0.029 11.490 86 HG2 GLU 12 2HG GLU 12 13.048 -0.202 11.318 87 HG3 GLU 12 3HG GLU 12 12.931 -1.552 10.191 88 H ARG 13 H ARG 13 8.320 -2.302 11.097 89 HA ARG 13 HA ARG 13 7.336 -1.075 13.490 90 HB2 ARG 13 2HB ARG 13 6.311 -1.636 10.948 91 HB3 ARG 13 3HB ARG 13 5.351 -2.615 12.049 92 HG2 ARG 13 2HG ARG 13 4.112 -0.753 12.211 93 HG3 ARG 13 3HG ARG 13 5.350 -0.265 13.369 94 HD2 ARG 13 2HD ARG 13 6.312 0.389 10.797 95 HD3 ARG 13 3HD ARG 13 4.638 0.937 10.877 96 HE ARG 13 HE ARG 13 5.754 1.806 13.211 97 HH11 ARG 13 2HH1 ARG 13 6.496 2.193 9.832 98 HH12 ARG 13 1HH1 ARG 13 7.204 3.761 10.033 99 HH21 ARG 13 2HH2 ARG 13 6.684 3.870 13.489 100 HH22 ARG 13 1HH2 ARG 13 7.311 4.714 12.114 101 H ALA 14 H ALA 14 7.938 -4.330 12.418 102 HA ALA 14 HA ALA 14 6.316 -5.713 14.258 103 HB1 ALA 14 1HB ALA 14 7.215 -6.852 12.345 104 HB2 ALA 14 2HB ALA 14 8.866 -6.549 12.887 105 HB3 ALA 14 3HB ALA 14 7.823 -7.634 13.805 106 H ILE 15 H ILE 15 9.775 -4.870 14.396 107 HA ILE 15 HA ILE 15 10.240 -5.930 16.961 108 HB ILE 15 HB ILE 15 12.089 -5.430 15.479 109 HG12 ILE 15 2HG1 ILE 15 12.912 -3.469 17.411 110 HG13 ILE 15 3HG1 ILE 15 11.940 -4.700 18.209 111 HG21 ILE 15 1HG2 ILE 15 11.097 -3.456 14.395 112 HG22 ILE 15 2HG2 ILE 15 11.394 -2.521 15.859 113 HG23 ILE 15 3HG2 ILE 15 12.750 -3.164 14.933 114 HD11 ILE 15 3HD1 ILE 15 13.463 -6.348 17.822 115 HD12 ILE 15 1HD1 ILE 15 14.090 -5.582 16.363 116 HD13 ILE 15 2HD1 ILE 15 14.537 -4.955 17.950 117 H GLN 16 H GLN 16 9.169 -2.756 15.873 118 HA GLN 16 HA GLN 16 9.406 -1.419 18.342 119 HB2 GLN 16 2HB GLN 16 8.013 -0.934 15.773 120 HB3 GLN 16 3HB GLN 16 7.385 -0.076 17.173 121 HG2 GLN 16 2HG GLN 16 10.238 0.124 17.124 122 HG3 GLN 16 3HG GLN 16 9.576 0.609 15.563 123 HE21 GLN 16 1HE2 GLN 16 7.358 1.893 16.031 124 HE22 GLN 16 2HE2 GLN 16 7.583 3.246 17.081 125 H ALA 17 H ALA 17 7.105 -3.689 17.146 126 HA ALA 17 HA ALA 17 4.806 -3.089 18.546 127 HB1 ALA 17 1HB ALA 17 4.267 -5.466 18.433 128 HB2 ALA 17 2HB ALA 17 4.957 -4.898 16.912 129 HB3 ALA 17 3HB ALA 17 5.945 -5.835 18.033 130 H GLU 18 H GLU 18 7.451 -5.215 19.658 131 HA GLU 18 HA GLU 18 8.139 -5.826 21.738 132 HB2 GLU 18 2HB GLU 18 6.790 -3.299 22.692 133 HB3 GLU 18 3HB GLU 18 8.102 -4.167 23.476 134 HG2 GLU 18 2HG GLU 18 8.999 -3.548 20.888 135 HG3 GLU 18 3HG GLU 18 8.221 -2.095 21.514 136 H ASN 19 H ASN 19 6.912 -7.652 22.038 137 HA ASN 19 HA ASN 19 5.132 -7.721 24.190 138 HB2 ASN 19 2HB ASN 19 3.853 -6.786 21.912 139 HB3 ASN 19 3HB ASN 19 3.432 -8.496 21.950 140 HD21 ASN 19 1HD2 ASN 19 1.819 -9.103 23.213 141 HD22 ASN 19 2HD2 ASN 19 1.098 -8.144 24.456 142 H GLU 20 H GLU 20 3.603 -9.918 23.706 143 HA GLU 20 HA GLU 20 5.548 -11.954 22.837 144 HB2 GLU 20 2HB GLU 20 4.361 -13.417 24.605 145 HB3 GLU 20 3HB GLU 20 5.532 -12.226 25.152 146 HG2 GLU 20 2HG GLU 20 3.614 -12.182 26.590 147 HG3 GLU 20 3HG GLU 20 3.686 -10.682 25.667 148 H GLY 21 H GLY 21 3.756 -10.948 21.035 149 HA2 GLY 21 2HA GLY 21 2.498 -13.223 20.035 150 HA3 GLY 21 3HA GLY 21 1.283 -12.323 20.931 151 H ARG 22 H ARG 22 2.519 -9.733 20.261 152 HA ARG 22 HA ARG 22 1.162 -9.336 17.758 153 HB2 ARG 22 2HB ARG 22 2.457 -7.591 19.796 154 HB3 ARG 22 3HB ARG 22 2.255 -6.946 18.172 155 HG2 ARG 22 2HG ARG 22 0.131 -6.488 18.578 156 HG3 ARG 22 3HG ARG 22 -0.186 -8.170 19.008 157 HD2 ARG 22 2HD ARG 22 0.996 -7.447 21.256 158 HD3 ARG 22 3HD ARG 22 0.458 -5.846 20.750 159 HE ARG 22 HE ARG 22 -1.604 -7.851 20.671 160 HH11 ARG 22 2HH1 ARG 22 0.042 -5.497 22.639 161 HH12 ARG 22 1HH1 ARG 22 -1.277 -5.310 23.747 162 HH21 ARG 22 2HH2 ARG 22 -3.346 -7.613 22.123 163 HH22 ARG 22 1HH2 ARG 22 -3.203 -6.515 23.453 164 H TYR 23 H TYR 23 4.463 -9.642 18.838 165 HA TYR 23 HA TYR 23 5.671 -8.595 16.474 166 HB2 TYR 23 2HB TYR 23 7.735 -9.282 17.402 167 HB3 TYR 23 3HB TYR 23 6.743 -8.813 18.778 168 HD1 TYR 23 HD2 TYR 23 5.559 -10.672 20.075 169 HD2 TYR 23 HD1 TYR 23 8.696 -11.415 17.298 170 HE1 TYR 23 HE2 TYR 23 5.944 -12.872 21.106 171 HE2 TYR 23 HE1 TYR 23 9.089 -13.617 18.321 172 HH TYR 23 HH TYR 23 7.892 -15.263 19.661 173 H ARG 24 H ARG 24 4.558 -11.744 17.501 174 HA ARG 24 HA ARG 24 5.886 -13.257 15.498 175 HB2 ARG 24 2HB ARG 24 5.024 -14.291 17.541 176 HB3 ARG 24 3HB ARG 24 3.380 -13.882 17.068 177 HG2 ARG 24 2HG ARG 24 4.802 -15.408 15.038 178 HG3 ARG 24 3HG ARG 24 4.656 -16.257 16.578 179 HD2 ARG 24 2HD ARG 24 2.656 -16.872 15.730 180 HD3 ARG 24 3HD ARG 24 2.157 -15.295 16.342 181 HE ARG 24 HE ARG 24 3.112 -14.942 13.746 182 HH11 ARG 24 2HH1 ARG 24 0.481 -16.528 15.385 183 HH12 ARG 24 1HH1 ARG 24 -0.611 -16.384 14.047 184 HH21 ARG 24 2HH2 ARG 24 1.684 -14.746 11.978 185 HH22 ARG 24 1HH2 ARG 24 0.075 -15.371 12.110 186 H GLU 25 H GLU 25 2.607 -11.916 15.745 187 HA GLU 25 HA GLU 25 1.666 -12.912 13.286 188 HB2 GLU 25 2HB GLU 25 -0.133 -11.290 13.508 189 HB3 GLU 25 3HB GLU 25 0.186 -12.056 15.058 190 HG2 GLU 25 2HG GLU 25 1.235 -10.137 15.913 191 HG3 GLU 25 3HG GLU 25 1.378 -9.407 14.315 192 H ALA 26 H ALA 26 3.648 -10.184 14.098 193 HA ALA 26 HA ALA 26 3.269 -8.748 11.658 194 HB1 ALA 26 1HB ALA 26 4.611 -7.176 12.560 195 HB2 ALA 26 2HB ALA 26 4.297 -8.071 14.048 196 HB3 ALA 26 3HB ALA 26 5.785 -8.356 13.144 197 H LEU 27 H LEU 27 5.542 -11.181 12.791 198 HA LEU 27 HA LEU 27 7.414 -10.975 10.701 199 HB2 LEU 27 2HB LEU 27 6.666 -13.119 12.642 200 HB3 LEU 27 3HB LEU 27 7.787 -13.478 11.331 201 HG LEU 27 HG LEU 27 8.287 -11.192 13.208 202 HD11 LEU 27 1HD1 LEU 27 8.119 -13.900 13.984 203 HD12 LEU 27 2HD1 LEU 27 8.726 -12.532 14.915 204 HD13 LEU 27 3HD1 LEU 27 9.830 -13.479 13.918 205 HD21 LEU 27 3HD2 LEU 27 10.667 -11.891 12.607 206 HD22 LEU 27 1HD2 LEU 27 9.706 -11.121 11.344 207 HD23 LEU 27 2HD2 LEU 27 9.931 -12.870 11.337 208 H LYS 28 H LYS 28 4.329 -12.590 10.946 209 HA LYS 28 HA LYS 28 4.472 -14.418 8.880 210 HB2 LYS 28 2HB LYS 28 2.512 -13.617 10.551 211 HB3 LYS 28 3HB LYS 28 1.963 -12.852 9.065 212 HG2 LYS 28 2HG LYS 28 2.764 -15.622 8.682 213 HG3 LYS 28 3HG LYS 28 1.448 -15.433 9.842 214 HD2 LYS 28 2HD LYS 28 0.041 -14.446 8.267 215 HD3 LYS 28 3HD LYS 28 1.379 -14.023 7.197 216 HE2 LYS 28 2HE LYS 28 0.259 -15.832 6.169 217 HE3 LYS 28 3HE LYS 28 1.734 -16.501 6.866 218 HZ1 LYS 28 3HZ LYS 28 0.502 -17.393 8.679 219 HZ2 LYS 28 1HZ LYS 28 -0.288 -17.857 7.257 220 HZ3 LYS 28 2HZ LYS 28 -0.914 -16.601 8.201 221 H HIS 29 H HIS 29 3.769 -10.952 8.720 222 HA HIS 29 HA HIS 29 3.155 -10.811 5.990 223 HB2 HIS 29 2HB HIS 29 2.941 -9.019 7.868 224 HB3 HIS 29 3HB HIS 29 4.585 -8.585 7.411 225 HD1 HIS 29 HD1 HIS 29 2.604 -6.436 6.992 226 HD2 HIS 29 HD2 HIS 29 3.285 -9.362 4.122 227 HE1 HIS 29 HE1 HIS 29 1.824 -5.440 4.819 228 H PHE 30 H PHE 30 6.193 -11.044 7.661 229 HA PHE 30 HA PHE 30 7.794 -10.225 5.419 230 HB2 PHE 30 2HB PHE 30 8.424 -10.079 7.905 231 HB3 PHE 30 3HB PHE 30 8.778 -11.800 7.790 232 HD1 PHE 30 HD1 PHE 30 9.623 -8.525 6.253 233 HD2 PHE 30 HD2 PHE 30 10.858 -12.518 7.060 234 HE1 PHE 30 HE1 PHE 30 11.869 -8.001 5.395 235 HE2 PHE 30 HE2 PHE 30 13.106 -11.999 6.205 236 HZ PHE 30 HZ PHE 30 13.614 -9.738 5.372 237 H LEU 31 H LEU 31 6.827 -13.290 6.882 238 HA LEU 31 HA LEU 31 8.433 -15.000 5.360 239 HB2 LEU 31 2HB LEU 31 6.095 -15.227 7.077 240 HB3 LEU 31 3HB LEU 31 6.097 -16.411 5.771 241 HG LEU 31 HG LEU 31 7.070 -17.322 7.815 242 HD11 LEU 31 1HD1 LEU 31 8.138 -17.438 5.259 243 HD12 LEU 31 2HD1 LEU 31 8.459 -18.550 6.589 244 HD13 LEU 31 3HD1 LEU 31 9.534 -17.181 6.306 245 HD21 LEU 31 3HD2 LEU 31 7.948 -15.428 8.917 246 HD22 LEU 31 1HD2 LEU 31 8.958 -14.998 7.537 247 HD23 LEU 31 2HD2 LEU 31 9.339 -16.428 8.496 248 H ASP 32 H ASP 32 5.450 -13.364 4.601 249 HA ASP 32 HA ASP 32 4.796 -14.913 2.301 250 HB2 ASP 32 2HB ASP 32 3.953 -12.110 3.069 251 HB3 ASP 32 3HB ASP 32 3.229 -13.073 1.784 252 H GLY 33 H GLY 33 6.848 -12.161 2.902 253 HA2 GLY 33 2HA GLY 33 7.115 -11.440 0.125 254 HA3 GLY 33 3HA GLY 33 8.052 -10.798 1.466 255 H GLY 34 H GLY 34 9.005 -13.299 2.461 256 HA2 GLY 34 2HA GLY 34 11.365 -13.580 1.011 257 HA3 GLY 34 3HA GLY 34 10.753 -14.756 2.164 258 H GLU 35 H GLU 35 8.286 -15.173 0.585 259 HA GLU 35 HA GLU 35 9.303 -17.255 -1.102 260 HB2 GLU 35 2HB GLU 35 6.516 -16.252 -0.530 261 HB3 GLU 35 3HB GLU 35 6.841 -17.573 -1.644 262 HG2 GLU 35 2HG GLU 35 8.072 -17.843 1.007 263 HG3 GLU 35 3HG GLU 35 6.310 -17.883 0.982 264 H MET 36 H MET 36 8.525 -13.970 -1.543 265 HA MET 36 HA MET 36 7.733 -14.060 -4.274 266 HB2 MET 36 2HB MET 36 8.935 -11.781 -2.691 267 HB3 MET 36 3HB MET 36 8.139 -11.635 -4.252 268 HG2 MET 36 2HG MET 36 6.584 -12.920 -2.100 269 HG3 MET 36 3HG MET 36 6.912 -11.198 -1.920 270 HE1 MET 36 3HE MET 36 3.405 -11.170 -2.721 271 HE2 MET 36 1HE MET 36 3.527 -12.861 -3.208 272 HE3 MET 36 2HE MET 36 4.381 -12.293 -1.774 273 H ILE 37 H ILE 37 10.797 -14.007 -2.627 274 HA ILE 37 HA ILE 37 12.324 -13.297 -4.963 275 HB ILE 37 HB ILE 37 12.965 -12.927 -2.477 276 HG12 ILE 37 2HG1 ILE 37 15.048 -14.065 -4.350 277 HG13 ILE 37 3HG1 ILE 37 14.374 -12.446 -4.494 278 HG21 ILE 37 1HG2 ILE 37 14.396 -15.522 -2.704 279 HG22 ILE 37 2HG2 ILE 37 13.900 -14.625 -1.270 280 HG23 ILE 37 3HG2 ILE 37 12.708 -15.539 -2.193 281 HD11 ILE 37 3HD1 ILE 37 16.639 -13.045 -3.165 282 HD12 ILE 37 1HD1 ILE 37 15.626 -11.644 -2.820 283 HD13 ILE 37 2HD1 ILE 37 15.462 -13.110 -1.853 284 H VAL 38 H VAL 38 11.135 -16.204 -3.515 285 HA VAL 38 HA VAL 38 12.970 -18.029 -4.675 286 HB VAL 38 HB VAL 38 10.124 -18.494 -3.773 287 HG11 VAL 38 1HG1 VAL 38 10.338 -20.517 -4.670 288 HG12 VAL 38 2HG1 VAL 38 12.022 -20.209 -5.100 289 HG13 VAL 38 3HG1 VAL 38 11.619 -20.834 -3.500 290 HG21 VAL 38 3HG2 VAL 38 11.332 -19.502 -1.774 291 HG22 VAL 38 1HG2 VAL 38 12.771 -18.668 -2.361 292 HG23 VAL 38 2HG2 VAL 38 11.342 -17.743 -1.901 293 H THR 39 H THR 39 9.848 -16.737 -5.710 294 HA THR 39 HA THR 39 9.300 -18.342 -7.879 295 HB THR 39 HB THR 39 7.886 -16.433 -6.972 296 HG1 THR 39 HG1 THR 39 8.204 -16.522 -9.804 297 HG21 THR 39 3HG2 THR 39 8.291 -14.256 -7.518 298 HG22 THR 39 1HG2 THR 39 9.095 -14.670 -9.031 299 HG23 THR 39 2HG2 THR 39 9.956 -14.836 -7.501 300 H ALA 40 H ALA 40 11.715 -15.846 -7.567 301 HA ALA 40 HA ALA 40 12.263 -15.614 -10.368 302 HB1 ALA 40 1HB ALA 40 12.990 -13.714 -9.386 303 HB2 ALA 40 2HB ALA 40 13.391 -14.520 -7.869 304 HB3 ALA 40 3HB ALA 40 14.490 -14.630 -9.244 305 H ALA 41 H ALA 41 13.607 -17.459 -7.683 306 HA ALA 41 HA ALA 41 15.815 -18.498 -9.178 307 HB1 ALA 41 1HB ALA 41 15.043 -18.451 -6.487 308 HB2 ALA 41 2HB ALA 41 15.110 -20.155 -6.940 309 HB3 ALA 41 3HB ALA 41 16.523 -19.125 -7.170 310 H GLU 42 H GLU 42 12.676 -19.809 -8.142 311 HA GLU 42 HA GLU 42 12.937 -22.384 -9.140 312 HB2 GLU 42 2HB GLU 42 10.435 -20.689 -9.039 313 HB3 GLU 42 3HB GLU 42 10.477 -22.438 -9.213 314 HG2 GLU 42 2HG GLU 42 11.786 -22.401 -6.992 315 HG3 GLU 42 3HG GLU 42 11.148 -20.766 -6.829 316 H LYS 43 H LYS 43 11.451 -19.578 -10.764 317 HA LYS 43 HA LYS 43 10.954 -20.815 -13.214 318 HB2 LYS 43 2HB LYS 43 10.793 -18.188 -12.133 319 HB3 LYS 43 3HB LYS 43 11.642 -18.081 -13.670 320 HG2 LYS 43 2HG LYS 43 9.788 -18.459 -14.846 321 HG3 LYS 43 3HG LYS 43 9.277 -19.776 -13.787 322 HD2 LYS 43 2HD LYS 43 8.137 -18.356 -12.358 323 HD3 LYS 43 3HD LYS 43 9.079 -16.945 -12.844 324 HE2 LYS 43 2HE LYS 43 7.412 -18.265 -14.913 325 HE3 LYS 43 3HE LYS 43 6.577 -17.347 -13.661 326 HZ1 LYS 43 3HZ LYS 43 8.317 -16.410 -15.801 327 HZ2 LYS 43 1HZ LYS 43 8.449 -15.607 -14.318 328 HZ3 LYS 43 2HZ LYS 43 6.957 -15.678 -15.112 329 H GLU 44 H GLU 44 13.901 -19.614 -11.850 330 HA GLU 44 HA GLU 44 15.280 -19.850 -14.427 331 HB2 GLU 44 2HB GLU 44 16.187 -18.698 -11.784 332 HB3 GLU 44 3HB GLU 44 17.200 -18.808 -13.217 333 HG2 GLU 44 2HG GLU 44 14.640 -17.241 -12.986 334 HG3 GLU 44 3HG GLU 44 16.272 -16.576 -12.942 335 H ALA 45 H ALA 45 17.746 -20.587 -13.872 336 HA ALA 45 HA ALA 45 17.985 -22.742 -12.022 337 HB1 ALA 45 1HB ALA 45 18.414 -24.403 -14.017 338 HB2 ALA 45 2HB ALA 45 16.794 -24.165 -13.361 339 HB3 ALA 45 3HB ALA 45 17.272 -23.345 -14.847 340 H SER 46 H SER 46 19.222 -21.927 -15.272 341 HA SER 46 HA SER 46 21.949 -22.276 -14.300 342 HB2 SER 46 2HB SER 46 21.223 -23.264 -16.483 343 HB3 SER 46 3HB SER 46 21.010 -21.627 -17.104 344 HG SER 46 HG SER 46 23.344 -23.037 -16.549 345 H GLN 47 H GLN 47 21.079 -20.204 -12.979 346 HA GLN 47 HA GLN 47 22.257 -17.889 -14.360 347 HB2 GLN 47 2HB GLN 47 19.646 -17.954 -13.974 348 HB3 GLN 47 3HB GLN 47 20.093 -17.474 -12.342 349 HG2 GLN 47 2HG GLN 47 19.820 -15.424 -13.261 350 HG3 GLN 47 3HG GLN 47 21.522 -15.677 -13.645 351 HE21 GLN 47 1HE2 GLN 47 18.364 -15.244 -14.874 352 HE22 GLN 47 2HE2 GLN 47 18.763 -15.300 -16.554 353 H LYS 48 H LYS 48 23.472 -16.480 -13.096 354 HA LYS 48 HA LYS 48 24.701 -17.667 -10.797 355 HB2 LYS 48 2HB LYS 48 25.056 -14.851 -11.832 356 HB3 LYS 48 3HB LYS 48 26.161 -15.752 -10.803 357 HG2 LYS 48 2HG LYS 48 26.020 -17.408 -12.927 358 HG3 LYS 48 3HG LYS 48 25.780 -15.847 -13.716 359 HD2 LYS 48 2HD LYS 48 27.842 -15.254 -12.074 360 HD3 LYS 48 3HD LYS 48 28.167 -16.960 -12.389 361 HE2 LYS 48 2HE LYS 48 27.437 -15.577 -14.814 362 HE3 LYS 48 3HE LYS 48 28.798 -14.784 -14.022 363 HZ1 LYS 48 3HZ LYS 48 29.132 -16.791 -15.669 364 HZ2 LYS 48 1HZ LYS 48 28.877 -17.696 -14.262 365 HZ3 LYS 48 2HZ LYS 48 30.139 -16.573 -14.328 366 H VAL 49 H VAL 49 22.374 -15.097 -11.364 367 HA VAL 49 HA VAL 49 22.374 -14.173 -8.646 368 HB VAL 49 HB VAL 49 20.374 -12.874 -9.315 369 HG11 VAL 49 1HG1 VAL 49 22.199 -12.369 -11.567 370 HG12 VAL 49 2HG1 VAL 49 21.649 -11.289 -10.284 371 HG13 VAL 49 3HG1 VAL 49 22.957 -12.432 -9.977 372 HG21 VAL 49 3HG2 VAL 49 20.768 -14.203 -11.995 373 HG22 VAL 49 1HG2 VAL 49 19.424 -14.488 -10.889 374 HG23 VAL 49 2HG2 VAL 49 19.628 -12.905 -11.640 375 H ARG 50 H ARG 50 20.548 -16.486 -10.532 376 HA ARG 50 HA ARG 50 18.289 -16.828 -8.986 377 HB2 ARG 50 2HB ARG 50 18.477 -17.990 -11.065 378 HB3 ARG 50 3HB ARG 50 19.920 -18.842 -10.530 379 HG2 ARG 50 2HG ARG 50 17.733 -19.367 -8.743 380 HG3 ARG 50 3HG ARG 50 17.275 -19.725 -10.409 381 HD2 ARG 50 2HD ARG 50 18.252 -21.708 -9.966 382 HD3 ARG 50 3HD ARG 50 19.730 -20.826 -10.347 383 HE ARG 50 HE ARG 50 19.319 -20.448 -7.657 384 HH11 ARG 50 2HH1 ARG 50 19.754 -23.174 -9.777 385 HH12 ARG 50 1HH1 ARG 50 20.501 -24.163 -8.567 386 HH21 ARG 50 2HH2 ARG 50 20.302 -21.740 -6.054 387 HH22 ARG 50 1HH2 ARG 50 20.812 -23.346 -6.449 388 H ASN 51 H ASN 51 21.550 -18.016 -8.434 389 HA ASN 51 HA ASN 51 20.835 -19.704 -6.236 390 HB2 ASN 51 2HB ASN 51 22.870 -20.026 -7.669 391 HB3 ASN 51 3HB ASN 51 23.564 -18.594 -6.915 392 HD21 ASN 51 1HD2 ASN 51 25.283 -19.863 -6.142 393 HD22 ASN 51 2HD2 ASN 51 25.088 -20.900 -4.774 394 H LEU 52 H LEU 52 21.784 -16.371 -6.624 395 HA LEU 52 HA LEU 52 22.329 -15.928 -3.839 396 HB2 LEU 52 2HB LEU 52 23.102 -14.628 -6.011 397 HB3 LEU 52 3HB LEU 52 21.646 -13.692 -5.677 398 HG LEU 52 HG LEU 52 23.924 -14.076 -3.736 399 HD11 LEU 52 1HD1 LEU 52 24.651 -12.784 -5.661 400 HD12 LEU 52 2HD1 LEU 52 24.486 -11.748 -4.244 401 HD13 LEU 52 3HD1 LEU 52 23.249 -11.726 -5.500 402 HD21 LEU 52 3HD2 LEU 52 22.711 -11.986 -2.766 403 HD22 LEU 52 1HD2 LEU 52 22.092 -13.601 -2.417 404 HD23 LEU 52 2HD2 LEU 52 21.321 -12.610 -3.656 405 H LEU 53 H LEU 53 19.589 -15.488 -5.999 406 HA LEU 53 HA LEU 53 17.952 -13.914 -4.399 407 HB2 LEU 53 2HB LEU 53 17.469 -15.936 -6.529 408 HB3 LEU 53 3HB LEU 53 16.094 -15.359 -5.589 409 HG LEU 53 HG LEU 53 17.622 -13.118 -6.510 410 HD11 LEU 53 1HD1 LEU 53 17.125 -15.285 -8.488 411 HD12 LEU 53 2HD1 LEU 53 18.462 -14.141 -8.376 412 HD13 LEU 53 3HD1 LEU 53 16.895 -13.609 -8.985 413 HD21 LEU 53 3HD2 LEU 53 14.862 -14.147 -6.567 414 HD22 LEU 53 1HD2 LEU 53 15.285 -13.010 -7.848 415 HD23 LEU 53 2HD2 LEU 53 15.472 -12.543 -6.157 416 H LEU 54 H LEU 54 18.432 -17.414 -4.390 417 HA LEU 54 HA LEU 54 16.440 -17.899 -2.389 418 HB2 LEU 54 2HB LEU 54 18.711 -19.677 -3.262 419 HB3 LEU 54 3HB LEU 54 17.268 -20.169 -2.378 420 HG LEU 54 HG LEU 54 16.837 -18.913 -5.023 421 HD11 LEU 54 1HD1 LEU 54 17.181 -21.253 -6.027 422 HD12 LEU 54 2HD1 LEU 54 18.218 -21.543 -4.631 423 HD13 LEU 54 3HD1 LEU 54 18.600 -20.241 -5.758 424 HD21 LEU 54 3HD2 LEU 54 15.359 -20.369 -3.140 425 HD22 LEU 54 1HD2 LEU 54 15.551 -21.434 -4.533 426 HD23 LEU 54 2HD2 LEU 54 14.837 -19.834 -4.738 427 H HIS 55 H HIS 55 19.986 -17.750 -2.410 428 HA HIS 55 HA HIS 55 20.464 -18.415 0.242 429 HB2 HIS 55 2HB HIS 55 22.051 -17.764 -1.831 430 HB3 HIS 55 3HB HIS 55 22.141 -16.260 -0.919 431 HD1 HIS 55 HD1 HIS 55 24.335 -16.335 0.230 432 HD2 HIS 55 HD2 HIS 55 22.316 -19.956 0.497 433 HE1 HIS 55 HE1 HIS 55 25.747 -17.782 1.725 434 H LYS 56 H LYS 56 19.950 -15.187 -1.166 435 HA LYS 56 HA LYS 56 19.997 -13.881 1.382 436 HB2 LYS 56 2HB LYS 56 19.606 -13.090 -1.439 437 HB3 LYS 56 3HB LYS 56 18.810 -12.070 -0.248 438 HG2 LYS 56 2HG LYS 56 21.727 -12.776 -0.109 439 HG3 LYS 56 3HG LYS 56 21.113 -11.352 -0.951 440 HD2 LYS 56 2HD LYS 56 20.766 -10.237 0.963 441 HD3 LYS 56 3HD LYS 56 20.065 -11.647 1.761 442 HE2 LYS 56 2HE LYS 56 22.579 -12.460 1.741 443 HE3 LYS 56 3HE LYS 56 22.894 -10.728 1.646 444 HZ1 LYS 56 3HZ LYS 56 21.099 -10.804 3.609 445 HZ2 LYS 56 1HZ LYS 56 22.769 -10.883 3.870 446 HZ3 LYS 56 2HZ LYS 56 21.849 -12.302 3.847 447 H GLY 57 H GLY 57 17.609 -15.502 -0.483 448 HA2 GLY 57 2HA GLY 57 15.311 -14.162 0.541 449 HA3 GLY 57 3HA GLY 57 15.330 -15.730 -0.255 450 H LYS 58 H LYS 58 16.749 -17.328 1.330 451 HA LYS 58 HA LYS 58 14.998 -17.718 3.563 452 HB2 LYS 58 2HB LYS 58 15.758 -19.833 3.519 453 HB3 LYS 58 3HB LYS 58 16.550 -19.372 2.018 454 HG2 LYS 58 2HG LYS 58 17.844 -19.152 4.725 455 HG3 LYS 58 3HG LYS 58 18.009 -20.551 3.661 456 HD2 LYS 58 2HD LYS 58 18.566 -18.303 2.076 457 HD3 LYS 58 3HD LYS 58 19.411 -18.041 3.604 458 HE2 LYS 58 2HE LYS 58 19.617 -20.474 1.831 459 HE3 LYS 58 3HE LYS 58 20.840 -19.220 2.034 460 HZ1 LYS 58 3HZ LYS 58 21.085 -19.849 4.336 461 HZ2 LYS 58 1HZ LYS 58 21.314 -21.207 3.352 462 HZ3 LYS 58 2HZ LYS 58 19.861 -21.008 4.193 463 H GLU 59 H GLU 59 17.948 -16.070 3.074 464 HA GLU 59 HA GLU 59 18.977 -16.292 5.729 465 HB2 GLU 59 2HB GLU 59 19.659 -14.810 3.272 466 HB3 GLU 59 3HB GLU 59 20.109 -14.011 4.772 467 HG2 GLU 59 2HG GLU 59 21.630 -15.623 5.341 468 HG3 GLU 59 3HG GLU 59 20.813 -16.878 4.411 469 H VAL 60 H VAL 60 17.555 -13.514 3.994 470 HA VAL 60 HA VAL 60 17.305 -11.796 6.145 471 HB VAL 60 HB VAL 60 15.616 -10.605 4.892 472 HG11 VAL 60 1HG1 VAL 60 18.130 -11.433 3.813 473 HG12 VAL 60 2HG1 VAL 60 16.977 -11.198 2.497 474 HG13 VAL 60 3HG1 VAL 60 17.298 -9.888 3.634 475 HG21 VAL 60 3HG2 VAL 60 14.700 -11.560 2.789 476 HG22 VAL 60 1HG2 VAL 60 15.438 -13.105 3.215 477 HG23 VAL 60 2HG2 VAL 60 14.176 -12.419 4.238 478 H LEU 61 H LEU 61 15.307 -14.513 5.240 479 HA LEU 61 HA LEU 61 13.092 -13.870 6.908 480 HB2 LEU 61 2HB LEU 61 14.009 -16.470 5.695 481 HB3 LEU 61 3HB LEU 61 12.500 -16.281 6.586 482 HG LEU 61 HG LEU 61 13.125 -14.681 4.116 483 HD11 LEU 61 1HD1 LEU 61 11.972 -17.434 4.376 484 HD12 LEU 61 2HD1 LEU 61 13.218 -16.850 3.273 485 HD13 LEU 61 3HD1 LEU 61 11.536 -16.378 3.033 486 HD21 LEU 61 3HD2 LEU 61 10.769 -15.116 5.876 487 HD22 LEU 61 1HD2 LEU 61 10.492 -14.874 4.151 488 HD23 LEU 61 2HD2 LEU 61 11.339 -13.643 5.089 489 H GLU 62 H GLU 62 15.886 -16.033 7.282 490 HA GLU 62 HA GLU 62 15.164 -16.909 9.889 491 HB2 GLU 62 2HB GLU 62 17.622 -17.092 8.195 492 HB3 GLU 62 3HB GLU 62 17.728 -17.494 9.903 493 HG2 GLU 62 2HG GLU 62 15.794 -19.081 9.504 494 HG3 GLU 62 3HG GLU 62 16.075 -18.824 7.783 495 H TRP 63 H TRP 63 17.043 -14.239 8.637 496 HA TRP 63 HA TRP 63 18.201 -13.521 11.158 497 HB2 TRP 63 2HB TRP 63 18.820 -12.907 8.597 498 HB3 TRP 63 3HB TRP 63 17.944 -11.450 9.058 499 HD1 TRP 63 HD1 TRP 63 18.909 -10.657 11.774 500 HE1 TRP 63 HE1 TRP 63 21.378 -10.179 12.323 501 HE3 TRP 63 HE3 TRP 63 21.105 -13.224 7.937 502 HZ2 TRP 63 HZ2 TRP 63 23.920 -10.806 11.269 503 HZ3 TRP 63 HZ3 TRP 63 23.561 -13.235 7.779 504 HH2 TRP 63 HH2 TRP 63 24.937 -12.050 9.411 505 H ALA 64 H ALA 64 15.359 -12.562 9.322 506 HA ALA 64 HA ALA 64 14.627 -10.276 10.737 507 HB1 ALA 64 1HB ALA 64 12.219 -11.195 10.083 508 HB2 ALA 64 2HB ALA 64 13.324 -10.511 8.890 509 HB3 ALA 64 3HB ALA 64 13.191 -12.261 9.068 510 H GLU 65 H GLU 65 14.217 -13.669 11.518 511 HA GLU 65 HA GLU 65 12.409 -13.229 13.692 512 HB2 GLU 65 2HB GLU 65 14.071 -15.597 12.841 513 HB3 GLU 65 3HB GLU 65 13.055 -15.624 14.276 514 HG2 GLU 65 2HG GLU 65 11.262 -14.767 12.480 515 HG3 GLU 65 3HG GLU 65 12.316 -15.708 11.425 516 H HIS 66 H HIS 66 15.830 -13.123 13.290 517 HA HIS 66 HA HIS 66 16.645 -13.645 15.936 518 HB2 HIS 66 2HB HIS 66 17.894 -12.980 13.518 519 HB3 HIS 66 3HB HIS 66 18.329 -11.685 14.630 520 HD1 HIS 66 HD1 HIS 66 19.489 -12.507 16.922 521 HD2 HIS 66 HD2 HIS 66 19.310 -15.287 13.841 522 HE1 HIS 66 HE1 HIS 66 21.163 -14.284 17.523 523 H LEU 67 H LEU 67 16.082 -10.549 14.263 524 HA LEU 67 HA LEU 67 16.462 -8.975 16.601 525 HB2 LEU 67 2HB LEU 67 15.771 -7.125 15.290 526 HB3 LEU 67 3HB LEU 67 16.728 -8.178 14.251 527 HG LEU 67 HG LEU 67 14.265 -9.073 13.654 528 HD11 LEU 67 1HD1 LEU 67 13.479 -7.145 15.260 529 HD12 LEU 67 2HD1 LEU 67 12.603 -7.509 13.774 530 HD13 LEU 67 3HD1 LEU 67 13.729 -6.152 13.824 531 HD21 LEU 67 3HD2 LEU 67 15.380 -8.533 11.780 532 HD22 LEU 67 1HD2 LEU 67 16.119 -7.106 12.506 533 HD23 LEU 67 2HD2 LEU 67 14.469 -7.026 11.887 534 H ALA 68 H ALA 68 13.653 -10.375 15.013 535 HA ALA 68 HA ALA 68 11.661 -9.022 16.470 536 HB1 ALA 68 1HB ALA 68 11.722 -11.604 14.955 537 HB2 ALA 68 2HB ALA 68 10.288 -11.121 15.861 538 HB3 ALA 68 3HB ALA 68 10.895 -10.098 14.560 539 H GLU 69 H GLU 69 13.714 -11.707 17.265 540 HA GLU 69 HA GLU 69 12.118 -12.586 19.500 541 HB2 GLU 69 2HB GLU 69 14.836 -13.323 18.445 542 HB3 GLU 69 3HB GLU 69 14.271 -13.920 19.998 543 HG2 GLU 69 2HG GLU 69 12.292 -14.309 17.931 544 HG3 GLU 69 3HG GLU 69 13.832 -15.058 17.512 545 H TRP 70 H TRP 70 14.599 -10.267 18.933 546 HA TRP 70 HA TRP 70 15.909 -10.036 21.326 547 HB2 TRP 70 2HB TRP 70 16.137 -8.622 19.182 548 HB3 TRP 70 3HB TRP 70 14.889 -7.597 19.886 549 HD1 TRP 70 HD1 TRP 70 15.548 -6.405 22.290 550 HE1 TRP 70 HE1 TRP 70 17.837 -5.580 23.128 551 HE3 TRP 70 HE3 TRP 70 18.571 -9.029 19.110 552 HZ2 TRP 70 HZ2 TRP 70 20.563 -5.986 22.521 553 HZ3 TRP 70 HZ3 TRP 70 21.008 -8.753 19.304 554 HH2 TRP 70 HH2 TRP 70 21.982 -7.263 20.975 555 H ILE 71 H ILE 71 12.804 -8.504 20.488 556 HA ILE 71 HA ILE 71 12.283 -7.161 22.825 557 HB ILE 71 HB ILE 71 9.833 -7.645 22.350 558 HG12 ILE 71 2HG1 ILE 71 10.266 -8.549 19.659 559 HG13 ILE 71 3HG1 ILE 71 10.993 -9.696 20.780 560 HG21 ILE 71 1HG2 ILE 71 10.830 -5.634 21.544 561 HG22 ILE 71 2HG2 ILE 71 11.626 -6.490 20.225 562 HG23 ILE 71 3HG2 ILE 71 9.872 -6.316 20.230 563 HD11 ILE 71 3HD1 ILE 71 8.699 -9.493 22.007 564 HD12 ILE 71 1HD1 ILE 71 8.141 -8.933 20.431 565 HD13 ILE 71 2HD1 ILE 71 8.874 -10.529 20.591 566 H LEU 72 H LEU 72 11.982 -10.598 22.180 567 HA LEU 72 HA LEU 72 10.577 -11.237 24.573 568 HB2 LEU 72 2HB LEU 72 12.336 -13.085 22.980 569 HB3 LEU 72 3HB LEU 72 10.982 -13.515 24.024 570 HG LEU 72 HG LEU 72 10.647 -11.928 21.488 571 HD11 LEU 72 1HD1 LEU 72 11.663 -14.072 20.931 572 HD12 LEU 72 2HD1 LEU 72 9.980 -14.013 20.411 573 HD13 LEU 72 3HD1 LEU 72 10.423 -14.911 21.862 574 HD21 LEU 72 3HD2 LEU 72 8.487 -11.881 22.013 575 HD22 LEU 72 1HD2 LEU 72 8.933 -12.482 23.610 576 HD23 LEU 72 2HD2 LEU 72 8.464 -13.614 22.342 577 H GLU 73 H GLU 73 13.993 -11.543 23.614 578 HA GLU 73 HA GLU 73 14.971 -12.591 25.999 579 HB2 GLU 73 2HB GLU 73 16.106 -12.068 23.655 580 HB3 GLU 73 3HB GLU 73 16.639 -10.624 24.504 581 HG2 GLU 73 2HG GLU 73 17.690 -11.997 26.214 582 HG3 GLU 73 3HG GLU 73 17.130 -13.456 25.398 583 H HIS 74 H HIS 74 14.110 -9.320 25.148 584 HA HIS 74 HA HIS 74 14.783 -8.484 27.890 585 HB2 HIS 74 2HB HIS 74 15.447 -7.206 25.295 586 HB3 HIS 74 3HB HIS 74 14.939 -6.132 26.596 587 HD1 HIS 74 HD1 HIS 74 16.386 -6.465 28.902 588 HD2 HIS 74 HD2 HIS 74 18.076 -7.856 25.371 589 HE1 HIS 74 HE1 HIS 74 18.842 -6.713 29.384 Start of MODEL 3 1 H1 MET 1 H MET 1 4.162 0.044 -3.178 2 HA MET 1 HA MET 1 4.332 -0.549 -0.455 3 HB2 MET 1 2HB MET 1 1.574 0.078 -1.464 4 HB3 MET 1 3HB MET 1 1.809 -1.091 -0.171 5 HG2 MET 1 2HG MET 1 2.579 0.504 1.312 6 HG3 MET 1 3HG MET 1 3.020 1.629 0.029 7 HE1 MET 1 3HE MET 1 0.180 0.565 2.547 8 HE2 MET 1 1HE MET 1 -1.248 0.808 1.541 9 HE3 MET 1 2HE MET 1 -0.069 -0.431 1.113 10 H GLY 2 H GLY 2 5.471 -1.878 -2.361 11 HA2 GLY 2 2HA GLY 2 4.418 -4.503 -2.169 12 HA3 GLY 2 3HA GLY 2 4.096 -3.844 -3.766 13 H THR 3 H THR 3 6.783 -4.170 -1.449 14 HA THR 3 HA THR 3 8.442 -5.356 -3.495 15 HB THR 3 HB THR 3 8.838 -3.019 -4.001 16 HG1 THR 3 HG1 THR 3 10.667 -4.365 -4.095 17 HG21 THR 3 3HG2 THR 3 9.750 -2.675 -1.146 18 HG22 THR 3 1HG2 THR 3 8.172 -2.164 -1.741 19 HG23 THR 3 2HG2 THR 3 9.639 -1.433 -2.393 20 H ILE 4 H ILE 4 10.256 -6.423 -2.666 21 HA ILE 4 HA ILE 4 10.051 -7.555 -0.161 22 HB ILE 4 HB ILE 4 12.577 -7.147 -1.766 23 HG12 ILE 4 2HG1 ILE 4 10.873 -8.333 -3.035 24 HG13 ILE 4 3HG1 ILE 4 12.138 -9.457 -2.549 25 HG21 ILE 4 1HG2 ILE 4 13.670 -8.091 -0.083 26 HG22 ILE 4 2HG2 ILE 4 12.175 -8.229 0.842 27 HG23 ILE 4 3HG2 ILE 4 12.658 -9.526 -0.250 28 HD11 ILE 4 3HD1 ILE 4 9.331 -9.561 -2.043 29 HD12 ILE 4 1HD1 ILE 4 10.574 -10.766 -1.705 30 HD13 ILE 4 2HD1 ILE 4 10.210 -9.517 -0.515 31 H ASP 5 H ASP 5 11.928 -4.720 -1.143 32 HA ASP 5 HA ASP 5 13.348 -4.255 1.188 33 HB2 ASP 5 2HB ASP 5 12.710 -2.801 -1.190 34 HB3 ASP 5 3HB ASP 5 12.499 -1.731 0.194 35 H ASP 6 H ASP 6 9.977 -3.711 0.494 36 HA ASP 6 HA ASP 6 9.381 -1.941 2.602 37 HB2 ASP 6 2HB ASP 6 7.884 -2.433 0.659 38 HB3 ASP 6 3HB ASP 6 7.538 -4.003 1.379 39 H ALA 7 H ALA 7 9.653 -5.434 2.448 40 HA ALA 7 HA ALA 7 8.453 -6.029 4.932 41 HB1 ALA 7 1HB ALA 7 9.940 -7.450 2.896 42 HB2 ALA 7 2HB ALA 7 10.364 -7.995 4.519 43 HB3 ALA 7 3HB ALA 7 8.683 -8.031 3.988 44 H PHE 8 H PHE 8 11.840 -5.471 4.017 45 HA PHE 8 HA PHE 8 12.902 -5.886 6.606 46 HB2 PHE 8 2HB PHE 8 14.123 -4.149 4.461 47 HB3 PHE 8 3HB PHE 8 14.954 -5.027 5.741 48 HD1 PHE 8 HD1 PHE 8 13.726 -7.673 5.580 49 HD2 PHE 8 HD2 PHE 8 14.933 -5.019 2.479 50 HE1 PHE 8 HE1 PHE 8 14.036 -9.588 4.066 51 HE2 PHE 8 HE2 PHE 8 15.244 -6.929 0.960 52 HZ PHE 8 HZ PHE 8 14.794 -9.217 1.752 53 H ARG 9 H ARG 9 11.552 -3.102 4.980 54 HA ARG 9 HA ARG 9 12.456 -1.209 6.944 55 HB2 ARG 9 2HB ARG 9 10.591 -1.084 4.594 56 HB3 ARG 9 3HB ARG 9 10.679 0.250 5.736 57 HG2 ARG 9 2HG ARG 9 13.153 0.320 5.303 58 HG3 ARG 9 3HG ARG 9 12.875 -0.825 3.989 59 HD2 ARG 9 2HD ARG 9 11.713 0.711 2.719 60 HD3 ARG 9 3HD ARG 9 11.261 1.682 4.120 61 HE ARG 9 HE ARG 9 14.032 1.808 3.856 62 HH11 ARG 9 2HH1 ARG 9 11.182 2.786 2.112 63 HH12 ARG 9 1HH1 ARG 9 11.945 4.155 1.374 64 HH21 ARG 9 2HH2 ARG 9 15.048 3.607 2.890 65 HH22 ARG 9 1HH2 ARG 9 14.145 4.621 1.816 66 H ALA 10 H ALA 10 9.565 -3.104 6.371 67 HA ALA 10 HA ALA 10 7.968 -1.745 8.325 68 HB1 ALA 10 1HB ALA 10 7.637 -4.021 6.497 69 HB2 ALA 10 2HB ALA 10 6.713 -4.121 7.997 70 HB3 ALA 10 3HB ALA 10 6.511 -2.733 6.927 71 H ILE 11 H ILE 11 10.231 -4.372 8.355 72 HA ILE 11 HA ILE 11 9.492 -5.829 10.569 73 HB ILE 11 HB ILE 11 11.550 -6.084 8.994 74 HG12 ILE 11 2HG1 ILE 11 12.393 -6.815 11.720 75 HG13 ILE 11 3HG1 ILE 11 10.756 -7.311 11.303 76 HG21 ILE 11 1HG2 ILE 11 12.462 -3.851 9.902 77 HG22 ILE 11 2HG2 ILE 11 12.989 -4.805 11.288 78 HG23 ILE 11 3HG2 ILE 11 13.587 -5.190 9.674 79 HD11 ILE 11 3HD1 ILE 11 13.355 -8.186 10.160 80 HD12 ILE 11 1HD1 ILE 11 11.952 -9.139 10.643 81 HD13 ILE 11 2HD1 ILE 11 11.916 -8.216 9.140 82 H GLU 12 H GLU 12 10.810 -2.611 10.426 83 HA GLU 12 HA GLU 12 11.800 -2.295 12.997 84 HB2 GLU 12 2HB GLU 12 12.057 -0.596 11.263 85 HB3 GLU 12 3HB GLU 12 10.328 -0.279 11.291 86 HG2 GLU 12 2HG GLU 12 10.572 0.417 13.674 87 HG3 GLU 12 3HG GLU 12 12.318 0.272 13.477 88 H ARG 13 H ARG 13 8.501 -2.407 11.865 89 HA ARG 13 HA ARG 13 7.336 -1.377 14.269 90 HB2 ARG 13 2HB ARG 13 6.433 -1.890 11.698 91 HB3 ARG 13 3HB ARG 13 5.602 -3.095 12.674 92 HG2 ARG 13 2HG ARG 13 4.147 -1.569 13.336 93 HG3 ARG 13 3HG ARG 13 5.453 -0.606 14.030 94 HD2 ARG 13 2HD ARG 13 5.827 0.453 11.858 95 HD3 ARG 13 3HD ARG 13 4.533 -0.519 11.159 96 HE ARG 13 HE ARG 13 4.251 1.836 12.783 97 HH11 ARG 13 2HH1 ARG 13 2.718 -1.094 11.693 98 HH12 ARG 13 1HH1 ARG 13 1.110 -0.503 11.949 99 HH21 ARG 13 2HH2 ARG 13 2.138 2.626 13.124 100 HH22 ARG 13 1HH2 ARG 13 0.781 1.614 12.762 101 H ALA 14 H ALA 14 8.067 -4.576 12.997 102 HA ALA 14 HA ALA 14 6.643 -6.118 14.848 103 HB1 ALA 14 1HB ALA 14 7.839 -7.951 14.064 104 HB2 ALA 14 2HB ALA 14 7.869 -6.834 12.699 105 HB3 ALA 14 3HB ALA 14 9.284 -6.994 13.739 106 H ILE 15 H ILE 15 10.044 -5.059 14.920 107 HA ILE 15 HA ILE 15 10.628 -6.185 17.443 108 HB ILE 15 HB ILE 15 12.388 -5.552 15.860 109 HG12 ILE 15 2HG1 ILE 15 13.264 -3.759 17.932 110 HG13 ILE 15 3HG1 ILE 15 12.362 -5.091 18.647 111 HG21 ILE 15 1HG2 ILE 15 11.676 -2.702 16.538 112 HG22 ILE 15 2HG2 ILE 15 12.994 -3.235 15.496 113 HG23 ILE 15 3HG2 ILE 15 11.320 -3.504 15.009 114 HD11 ILE 15 3HD1 ILE 15 14.286 -5.934 16.626 115 HD12 ILE 15 1HD1 ILE 15 15.012 -5.126 18.014 116 HD13 ILE 15 2HD1 ILE 15 13.999 -6.549 18.254 117 H GLN 16 H GLN 16 9.326 -3.080 16.455 118 HA GLN 16 HA GLN 16 9.648 -1.666 18.843 119 HB2 GLN 16 2HB GLN 16 7.949 -1.437 16.444 120 HB3 GLN 16 3HB GLN 16 7.309 -0.662 17.887 121 HG2 GLN 16 2HG GLN 16 10.011 0.065 17.756 122 HG3 GLN 16 3HG GLN 16 9.380 0.216 16.116 123 HE21 GLN 16 1HE2 GLN 16 9.260 2.380 15.945 124 HE22 GLN 16 2HE2 GLN 16 8.277 3.388 16.947 125 H ALA 17 H ALA 17 7.463 -4.205 17.991 126 HA ALA 17 HA ALA 17 5.335 -3.814 19.702 127 HB1 ALA 17 1HB ALA 17 4.999 -6.215 19.647 128 HB2 ALA 17 2HB ALA 17 5.472 -5.629 18.051 129 HB3 ALA 17 3HB ALA 17 6.650 -6.454 19.073 130 H GLU 18 H GLU 18 8.426 -5.425 20.418 131 HA GLU 18 HA GLU 18 9.499 -5.860 22.377 132 HB2 GLU 18 2HB GLU 18 7.696 -3.791 23.630 133 HB3 GLU 18 3HB GLU 18 9.293 -4.291 24.169 134 HG2 GLU 18 2HG GLU 18 9.574 -3.393 21.516 135 HG3 GLU 18 3HG GLU 18 8.572 -2.212 22.358 136 H ASN 19 H ASN 19 7.957 -7.834 21.964 137 HA ASN 19 HA ASN 19 6.808 -9.558 22.902 138 HB2 ASN 19 2HB ASN 19 8.389 -8.801 24.860 139 HB3 ASN 19 3HB ASN 19 6.889 -8.237 25.589 140 HD21 ASN 19 1HD2 ASN 19 8.279 -11.089 24.015 141 HD22 ASN 19 2HD2 ASN 19 7.486 -12.245 25.025 142 H GLU 20 H GLU 20 4.801 -9.405 22.053 143 HA GLU 20 HA GLU 20 2.758 -8.144 23.717 144 HB2 GLU 20 2HB GLU 20 3.242 -7.536 20.808 145 HB3 GLU 20 3HB GLU 20 1.668 -7.297 21.554 146 HG2 GLU 20 2HG GLU 20 3.456 -6.047 23.273 147 HG3 GLU 20 3HG GLU 20 4.027 -5.643 21.655 148 H GLY 21 H GLY 21 3.004 -9.741 20.530 149 HA2 GLY 21 2HA GLY 21 2.164 -12.233 20.988 150 HA3 GLY 21 3HA GLY 21 0.658 -11.343 21.160 151 H ARG 22 H ARG 22 1.350 -9.373 19.126 152 HA ARG 22 HA ARG 22 0.491 -10.895 16.830 153 HB2 ARG 22 2HB ARG 22 0.085 -8.806 15.779 154 HB3 ARG 22 3HB ARG 22 -0.389 -8.608 17.461 155 HG2 ARG 22 2HG ARG 22 2.258 -7.840 17.450 156 HG3 ARG 22 3HG ARG 22 1.635 -7.217 15.921 157 HD2 ARG 22 2HD ARG 22 -0.062 -6.815 18.307 158 HD3 ARG 22 3HD ARG 22 1.439 -5.893 18.245 159 HE ARG 22 HE ARG 22 -0.898 -5.512 16.617 160 HH11 ARG 22 2HH1 ARG 22 2.543 -5.040 16.842 161 HH12 ARG 22 1HH1 ARG 22 2.565 -3.711 15.731 162 HH21 ARG 22 2HH2 ARG 22 -0.883 -3.763 15.153 163 HH22 ARG 22 1HH2 ARG 22 0.615 -2.985 14.771 164 H TYR 23 H TYR 23 3.451 -9.715 18.082 165 HA TYR 23 HA TYR 23 4.999 -9.171 15.887 166 HB2 TYR 23 2HB TYR 23 6.907 -9.735 17.198 167 HB3 TYR 23 3HB TYR 23 5.699 -9.114 18.317 168 HD1 TYR 23 HD1 TYR 23 7.462 -12.125 17.163 169 HD2 TYR 23 HD2 TYR 23 4.698 -10.538 19.981 170 HE1 TYR 23 HE1 TYR 23 7.662 -14.177 18.505 171 HE2 TYR 23 HE2 TYR 23 4.890 -12.585 21.332 172 HH TYR 23 HH TYR 23 5.785 -15.312 20.419 173 H ARG 24 H ARG 24 3.801 -12.265 16.966 174 HA ARG 24 HA ARG 24 5.510 -13.877 15.364 175 HB2 ARG 24 2HB ARG 24 3.835 -15.666 15.813 176 HB3 ARG 24 3HB ARG 24 4.408 -14.857 17.266 177 HG2 ARG 24 2HG ARG 24 2.240 -14.738 17.790 178 HG3 ARG 24 3HG ARG 24 2.215 -13.375 16.668 179 HD2 ARG 24 2HD ARG 24 1.755 -15.159 14.864 180 HD3 ARG 24 3HD ARG 24 1.340 -16.207 16.219 181 HE ARG 24 HE ARG 24 -0.009 -13.671 16.267 182 HH11 ARG 24 2HH1 ARG 24 -0.081 -16.928 15.041 183 HH12 ARG 24 1HH1 ARG 24 -1.798 -16.944 14.814 184 HH21 ARG 24 2HH2 ARG 24 -2.271 -13.679 15.973 185 HH22 ARG 24 1HH2 ARG 24 -3.043 -15.096 15.344 186 H GLU 25 H GLU 25 2.218 -12.627 14.927 187 HA GLU 25 HA GLU 25 1.909 -13.826 12.341 188 HB2 GLU 25 2HB GLU 25 -0.189 -12.630 12.234 189 HB3 GLU 25 3HB GLU 25 -0.009 -13.339 13.832 190 HG2 GLU 25 2HG GLU 25 0.384 -11.280 14.839 191 HG3 GLU 25 3HG GLU 25 0.784 -10.503 13.308 192 H ALA 26 H ALA 26 3.287 -10.921 13.549 193 HA ALA 26 HA ALA 26 3.002 -9.300 11.238 194 HB1 ALA 26 1HB ALA 26 3.527 -8.001 13.031 195 HB2 ALA 26 2HB ALA 26 4.624 -9.199 13.721 196 HB3 ALA 26 3HB ALA 26 5.144 -8.209 12.356 197 H LEU 27 H LEU 27 5.411 -11.640 12.286 198 HA LEU 27 HA LEU 27 7.335 -11.035 10.289 199 HB2 LEU 27 2HB LEU 27 6.856 -13.459 12.003 200 HB3 LEU 27 3HB LEU 27 8.185 -13.359 10.850 201 HG LEU 27 HG LEU 27 7.788 -11.493 13.188 202 HD11 LEU 27 1HD1 LEU 27 10.068 -13.352 13.122 203 HD12 LEU 27 2HD1 LEU 27 8.491 -14.088 13.404 204 HD13 LEU 27 3HD1 LEU 27 9.074 -12.815 14.477 205 HD21 LEU 27 3HD2 LEU 27 9.117 -10.224 11.879 206 HD22 LEU 27 1HD2 LEU 27 9.658 -11.595 10.911 207 HD23 LEU 27 2HD2 LEU 27 10.380 -11.292 12.491 208 H LYS 28 H LYS 28 4.477 -13.016 10.368 209 HA LYS 28 HA LYS 28 4.906 -14.778 8.288 210 HB2 LYS 28 2HB LYS 28 2.697 -13.890 9.798 211 HB3 LYS 28 3HB LYS 28 2.237 -13.712 8.110 212 HG2 LYS 28 2HG LYS 28 3.411 -16.204 8.189 213 HG3 LYS 28 3HG LYS 28 2.532 -16.108 9.717 214 HD2 LYS 28 2HD LYS 28 0.475 -15.757 8.635 215 HD3 LYS 28 3HD LYS 28 1.255 -15.354 7.103 216 HE2 LYS 28 2HE LYS 28 0.737 -17.481 6.574 217 HE3 LYS 28 3HE LYS 28 2.196 -17.855 7.490 218 HZ1 LYS 28 3HZ LYS 28 -0.608 -18.237 8.224 219 HZ2 LYS 28 1HZ LYS 28 0.478 -17.854 9.464 220 HZ3 LYS 28 2HZ LYS 28 0.730 -19.231 8.515 221 H HIS 29 H HIS 29 4.230 -11.350 8.171 222 HA HIS 29 HA HIS 29 3.606 -11.225 5.399 223 HB2 HIS 29 2HB HIS 29 4.257 -9.249 7.535 224 HB3 HIS 29 3HB HIS 29 4.395 -8.726 5.859 225 HD1 HIS 29 HD1 HIS 29 2.374 -7.348 5.461 226 HD2 HIS 29 HD2 HIS 29 1.482 -10.873 7.470 227 HE1 HIS 29 HE1 HIS 29 -0.134 -7.403 5.642 228 H PHE 30 H PHE 30 6.578 -10.942 7.263 229 HA PHE 30 HA PHE 30 8.168 -10.180 4.990 230 HB2 PHE 30 2HB PHE 30 9.183 -11.243 7.626 231 HB3 PHE 30 3HB PHE 30 10.032 -10.213 6.478 232 HD1 PHE 30 HD2 PHE 30 8.048 -8.151 5.899 233 HD2 PHE 30 HD1 PHE 30 9.050 -10.028 9.585 234 HE1 PHE 30 HE2 PHE 30 7.278 -6.158 7.119 235 HE2 PHE 30 HE1 PHE 30 8.281 -8.039 10.811 236 HZ PHE 30 HZ PHE 30 7.395 -6.100 9.578 237 H LEU 31 H LEU 31 7.378 -13.144 6.680 238 HA LEU 31 HA LEU 31 9.350 -14.833 5.681 239 HB2 LEU 31 2HB LEU 31 6.656 -15.143 6.813 240 HB3 LEU 31 3HB LEU 31 7.189 -16.475 5.789 241 HG LEU 31 HG LEU 31 7.600 -16.799 8.230 242 HD11 LEU 31 1HD1 LEU 31 9.110 -18.225 7.461 243 HD12 LEU 31 2HD1 LEU 31 10.312 -16.935 7.478 244 HD13 LEU 31 3HD1 LEU 31 9.359 -17.233 6.024 245 HD21 LEU 31 3HD2 LEU 31 9.565 -14.551 7.800 246 HD22 LEU 31 1HD2 LEU 31 9.513 -15.595 9.221 247 HD23 LEU 31 2HD2 LEU 31 8.153 -14.532 8.858 248 H ASP 32 H ASP 32 6.404 -13.653 4.196 249 HA ASP 32 HA ASP 32 6.442 -15.436 1.974 250 HB2 ASP 32 2HB ASP 32 4.435 -14.144 2.814 251 HB3 ASP 32 3HB ASP 32 5.144 -12.711 2.075 252 H GLY 33 H GLY 33 8.215 -12.627 2.782 253 HA2 GLY 33 2HA GLY 33 8.744 -11.592 0.210 254 HA3 GLY 33 3HA GLY 33 9.748 -11.361 1.634 255 H GLY 34 H GLY 34 10.310 -14.135 2.091 256 HA2 GLY 34 2HA GLY 34 12.458 -14.432 0.183 257 HA3 GLY 34 3HA GLY 34 12.158 -15.447 1.586 258 H GLU 35 H GLU 35 9.372 -15.963 0.813 259 HA GLU 35 HA GLU 35 9.893 -18.204 -0.916 260 HB2 GLU 35 2HB GLU 35 7.274 -17.225 0.236 261 HB3 GLU 35 3HB GLU 35 7.550 -18.787 -0.523 262 HG2 GLU 35 2HG GLU 35 9.199 -18.001 1.828 263 HG3 GLU 35 3HG GLU 35 7.541 -18.547 2.074 264 H MET 36 H MET 36 8.869 -14.981 -1.329 265 HA MET 36 HA MET 36 7.315 -15.388 -3.706 266 HB2 MET 36 2HB MET 36 8.243 -13.081 -2.109 267 HB3 MET 36 3HB MET 36 8.000 -12.770 -3.822 268 HG2 MET 36 2HG MET 36 5.818 -14.247 -2.562 269 HG3 MET 36 3HG MET 36 6.077 -12.635 -1.900 270 HE1 MET 36 3HE MET 36 3.321 -12.005 -3.090 271 HE2 MET 36 1HE MET 36 3.050 -12.897 -4.587 272 HE3 MET 36 2HE MET 36 3.588 -13.748 -3.139 273 H ILE 37 H ILE 37 10.660 -14.614 -2.963 274 HA ILE 37 HA ILE 37 11.364 -14.089 -5.705 275 HB ILE 37 HB ILE 37 12.568 -13.013 -3.835 276 HG12 ILE 37 2HG1 ILE 37 14.842 -13.364 -4.727 277 HG13 ILE 37 3HG1 ILE 37 14.286 -14.811 -5.561 278 HG21 ILE 37 1HG2 ILE 37 13.476 -15.828 -3.273 279 HG22 ILE 37 2HG2 ILE 37 14.277 -14.397 -2.627 280 HG23 ILE 37 3HG2 ILE 37 12.602 -14.738 -2.197 281 HD11 ILE 37 3HD1 ILE 37 12.666 -12.511 -6.217 282 HD12 ILE 37 1HD1 ILE 37 14.372 -12.243 -6.574 283 HD13 ILE 37 2HD1 ILE 37 13.530 -13.626 -7.274 284 H VAL 38 H VAL 38 11.265 -16.842 -3.600 285 HA VAL 38 HA VAL 38 13.102 -18.539 -4.831 286 HB VAL 38 HB VAL 38 10.495 -19.215 -3.467 287 HG11 VAL 38 1HG1 VAL 38 12.494 -20.907 -4.801 288 HG12 VAL 38 2HG1 VAL 38 12.035 -21.423 -3.177 289 HG13 VAL 38 3HG1 VAL 38 10.802 -21.229 -4.424 290 HG21 VAL 38 3HG2 VAL 38 13.028 -19.857 -2.156 291 HG22 VAL 38 1HG2 VAL 38 12.769 -18.131 -2.404 292 HG23 VAL 38 2HG2 VAL 38 11.582 -19.080 -1.511 293 H THR 39 H THR 39 9.660 -18.031 -5.536 294 HA THR 39 HA THR 39 9.261 -19.952 -7.468 295 HB THR 39 HB THR 39 7.507 -18.413 -6.551 296 HG1 THR 39 HG1 THR 39 6.567 -18.132 -8.838 297 HG21 THR 39 3HG2 THR 39 7.358 -16.218 -7.099 298 HG22 THR 39 1HG2 THR 39 8.007 -16.467 -8.719 299 HG23 THR 39 2HG2 THR 39 9.097 -16.386 -7.335 300 H ALA 40 H ALA 40 10.974 -16.917 -7.720 301 HA ALA 40 HA ALA 40 11.122 -16.911 -10.581 302 HB1 ALA 40 1HB ALA 40 11.637 -15.072 -8.568 303 HB2 ALA 40 2HB ALA 40 13.217 -15.400 -9.280 304 HB3 ALA 40 3HB ALA 40 11.890 -14.843 -10.299 305 H ALA 41 H ALA 41 13.209 -17.993 -7.951 306 HA ALA 41 HA ALA 41 15.422 -18.638 -9.648 307 HB1 ALA 41 1HB ALA 41 16.272 -18.366 -7.582 308 HB2 ALA 41 2HB ALA 41 14.780 -18.866 -6.786 309 HB3 ALA 41 3HB ALA 41 15.894 -20.080 -7.414 310 H GLU 42 H GLU 42 13.101 -20.654 -7.831 311 HA GLU 42 HA GLU 42 13.890 -23.132 -8.755 312 HB2 GLU 42 2HB GLU 42 11.140 -22.124 -8.024 313 HB3 GLU 42 3HB GLU 42 11.486 -23.815 -8.357 314 HG2 GLU 42 2HG GLU 42 13.271 -22.587 -6.392 315 HG3 GLU 42 3HG GLU 42 11.578 -22.650 -5.905 316 H LYS 43 H LYS 43 11.552 -20.895 -10.213 317 HA LYS 43 HA LYS 43 10.909 -22.577 -12.408 318 HB2 LYS 43 2HB LYS 43 9.502 -20.677 -11.574 319 HB3 LYS 43 3HB LYS 43 10.679 -19.567 -12.262 320 HG2 LYS 43 2HG LYS 43 10.138 -20.161 -14.451 321 HG3 LYS 43 3HG LYS 43 9.336 -21.650 -13.945 322 HD2 LYS 43 2HD LYS 43 7.425 -20.552 -13.279 323 HD3 LYS 43 3HD LYS 43 8.273 -19.031 -12.989 324 HE2 LYS 43 2HE LYS 43 8.636 -18.969 -15.522 325 HE3 LYS 43 3HE LYS 43 7.409 -20.232 -15.603 326 HZ1 LYS 43 3HZ LYS 43 5.770 -18.811 -14.905 327 HZ2 LYS 43 1HZ LYS 43 6.736 -17.749 -15.800 328 HZ3 LYS 43 2HZ LYS 43 6.837 -17.766 -14.112 329 H GLU 44 H GLU 44 13.522 -20.422 -11.744 330 HA GLU 44 HA GLU 44 14.336 -20.334 -14.549 331 HB2 GLU 44 2HB GLU 44 15.225 -18.906 -12.064 332 HB3 GLU 44 3HB GLU 44 16.263 -18.943 -13.482 333 HG2 GLU 44 2HG GLU 44 13.463 -17.850 -13.352 334 HG3 GLU 44 3HG GLU 44 14.953 -16.913 -13.435 335 H ALA 45 H ALA 45 16.944 -20.424 -14.635 336 HA ALA 45 HA ALA 45 18.120 -22.478 -13.019 337 HB1 ALA 45 1HB ALA 45 18.520 -24.039 -14.944 338 HB2 ALA 45 2HB ALA 45 16.853 -23.968 -14.370 339 HB3 ALA 45 3HB ALA 45 17.314 -23.122 -15.847 340 H SER 46 H SER 46 18.347 -20.984 -16.250 341 HA SER 46 HA SER 46 21.234 -20.877 -16.067 342 HB2 SER 46 2HB SER 46 19.325 -19.866 -18.188 343 HB3 SER 46 3HB SER 46 21.083 -19.824 -18.319 344 HG SER 46 HG SER 46 19.452 -21.823 -18.910 345 H GLN 47 H GLN 47 20.488 -19.497 -13.974 346 HA GLN 47 HA GLN 47 20.958 -16.701 -14.748 347 HB2 GLN 47 2HB GLN 47 18.534 -17.403 -13.929 348 HB3 GLN 47 3HB GLN 47 19.284 -17.260 -12.345 349 HG2 GLN 47 2HG GLN 47 18.590 -15.133 -12.526 350 HG3 GLN 47 3HG GLN 47 20.096 -14.950 -13.424 351 HE21 GLN 47 1HE2 GLN 47 17.354 -13.654 -13.531 352 HE22 GLN 47 2HE2 GLN 47 16.936 -13.705 -15.206 353 H LYS 48 H LYS 48 22.557 -15.724 -13.665 354 HA LYS 48 HA LYS 48 24.097 -17.253 -11.778 355 HB2 LYS 48 2HB LYS 48 24.487 -14.374 -12.605 356 HB3 LYS 48 3HB LYS 48 25.679 -15.433 -11.863 357 HG2 LYS 48 2HG LYS 48 24.791 -16.732 -14.195 358 HG3 LYS 48 3HG LYS 48 25.082 -15.045 -14.626 359 HD2 LYS 48 2HD LYS 48 27.185 -15.897 -14.925 360 HD3 LYS 48 3HD LYS 48 27.287 -15.432 -13.225 361 HE2 LYS 48 2HE LYS 48 27.073 -17.632 -12.487 362 HE3 LYS 48 3HE LYS 48 26.385 -18.177 -14.016 363 HZ1 LYS 48 3HZ LYS 48 28.830 -18.728 -13.445 364 HZ2 LYS 48 1HZ LYS 48 29.137 -17.141 -13.945 365 HZ3 LYS 48 2HZ LYS 48 28.437 -18.245 -15.018 366 H VAL 49 H VAL 49 21.787 -14.648 -11.649 367 HA VAL 49 HA VAL 49 22.387 -13.883 -8.947 368 HB VAL 49 HB VAL 49 20.234 -12.613 -9.095 369 HG11 VAL 49 1HG1 VAL 49 21.912 -12.031 -11.510 370 HG12 VAL 49 2HG1 VAL 49 21.139 -10.904 -10.394 371 HG13 VAL 49 3HG1 VAL 49 22.555 -11.823 -9.881 372 HG21 VAL 49 3HG2 VAL 49 19.053 -12.486 -11.190 373 HG22 VAL 49 1HG2 VAL 49 20.203 -13.587 -11.949 374 HG23 VAL 49 2HG2 VAL 49 19.128 -14.173 -10.679 375 H ARG 50 H ARG 50 20.194 -16.106 -10.523 376 HA ARG 50 HA ARG 50 18.261 -16.594 -8.681 377 HB2 ARG 50 2HB ARG 50 18.275 -17.828 -10.726 378 HB3 ARG 50 3HB ARG 50 19.823 -18.568 -10.343 379 HG2 ARG 50 2HG ARG 50 17.967 -19.177 -8.265 380 HG3 ARG 50 3HG ARG 50 17.242 -19.561 -9.828 381 HD2 ARG 50 2HD ARG 50 18.356 -21.503 -9.565 382 HD3 ARG 50 3HD ARG 50 19.712 -20.567 -10.192 383 HE ARG 50 HE ARG 50 19.841 -20.159 -7.514 384 HH11 ARG 50 2HH1 ARG 50 19.689 -23.002 -9.518 385 HH12 ARG 50 1HH1 ARG 50 20.595 -23.986 -8.416 386 HH21 ARG 50 2HH2 ARG 50 21.034 -21.445 -6.055 387 HH22 ARG 50 1HH2 ARG 50 21.358 -23.100 -6.447 388 H ASN 51 H ASN 51 21.565 -17.894 -8.604 389 HA ASN 51 HA ASN 51 21.373 -19.535 -6.392 390 HB2 ASN 51 2HB ASN 51 23.379 -19.472 -7.754 391 HB3 ASN 51 3HB ASN 51 23.696 -17.808 -7.271 392 HD21 ASN 51 1HD2 ASN 51 23.672 -21.137 -6.244 393 HD22 ASN 51 2HD2 ASN 51 24.662 -20.918 -4.845 394 H LEU 52 H LEU 52 22.155 -16.067 -6.467 395 HA LEU 52 HA LEU 52 22.289 -15.839 -3.622 396 HB2 LEU 52 2HB LEU 52 23.401 -14.358 -5.389 397 HB3 LEU 52 3HB LEU 52 21.833 -13.568 -5.532 398 HG LEU 52 HG LEU 52 21.985 -13.041 -3.080 399 HD11 LEU 52 1HD1 LEU 52 24.703 -14.234 -3.499 400 HD12 LEU 52 2HD1 LEU 52 23.534 -14.555 -2.218 401 HD13 LEU 52 3HD1 LEU 52 24.410 -13.025 -2.248 402 HD21 LEU 52 3HD2 LEU 52 22.842 -11.651 -5.206 403 HD22 LEU 52 1HD2 LEU 52 24.357 -11.781 -4.311 404 HD23 LEU 52 2HD2 LEU 52 22.944 -11.047 -3.551 405 H LEU 53 H LEU 53 19.784 -15.513 -6.021 406 HA LEU 53 HA LEU 53 17.909 -14.021 -4.585 407 HB2 LEU 53 2HB LEU 53 17.842 -15.908 -6.855 408 HB3 LEU 53 3HB LEU 53 16.316 -15.657 -6.009 409 HG LEU 53 HG LEU 53 16.154 -13.453 -6.683 410 HD11 LEU 53 1HD1 LEU 53 18.072 -12.378 -6.051 411 HD12 LEU 53 2HD1 LEU 53 18.271 -12.374 -7.803 412 HD13 LEU 53 3HD1 LEU 53 19.125 -13.564 -6.822 413 HD21 LEU 53 3HD2 LEU 53 16.072 -15.100 -8.587 414 HD22 LEU 53 1HD2 LEU 53 17.723 -14.613 -8.975 415 HD23 LEU 53 2HD2 LEU 53 16.416 -13.430 -9.039 416 H LEU 54 H LEU 54 18.517 -17.508 -4.639 417 HA LEU 54 HA LEU 54 16.374 -18.109 -2.831 418 HB2 LEU 54 2HB LEU 54 18.745 -19.790 -3.631 419 HB3 LEU 54 3HB LEU 54 17.294 -20.364 -2.812 420 HG LEU 54 HG LEU 54 16.989 -19.056 -5.469 421 HD11 LEU 54 1HD1 LEU 54 18.843 -20.538 -5.880 422 HD12 LEU 54 2HD1 LEU 54 17.377 -21.230 -6.576 423 HD13 LEU 54 3HD1 LEU 54 18.014 -21.860 -5.057 424 HD21 LEU 54 3HD2 LEU 54 15.259 -20.887 -5.632 425 HD22 LEU 54 1HD2 LEU 54 14.980 -19.673 -4.382 426 HD23 LEU 54 2HD2 LEU 54 15.617 -21.259 -3.945 427 H HIS 55 H HIS 55 19.925 -18.082 -2.545 428 HA HIS 55 HA HIS 55 20.109 -18.739 0.149 429 HB2 HIS 55 2HB HIS 55 22.006 -18.557 -1.506 430 HB3 HIS 55 3HB HIS 55 21.941 -16.811 -1.284 431 HD1 HIS 55 HD1 HIS 55 22.368 -16.005 1.280 432 HD2 HIS 55 HD2 HIS 55 23.575 -19.855 0.292 433 HE1 HIS 55 HE1 HIS 55 23.987 -16.685 3.081 434 H LYS 56 H LYS 56 19.451 -15.653 -1.389 435 HA LYS 56 HA LYS 56 19.722 -14.077 0.968 436 HB2 LYS 56 2HB LYS 56 18.511 -13.621 -1.741 437 HB3 LYS 56 3HB LYS 56 18.288 -12.441 -0.456 438 HG2 LYS 56 2HG LYS 56 20.998 -13.407 -1.318 439 HG3 LYS 56 3HG LYS 56 20.194 -12.017 -2.052 440 HD2 LYS 56 2HD LYS 56 20.451 -10.717 -0.196 441 HD3 LYS 56 3HD LYS 56 20.377 -12.090 0.910 442 HE2 LYS 56 2HE LYS 56 22.595 -12.202 0.992 443 HE3 LYS 56 3HE LYS 56 22.693 -12.316 -0.764 444 HZ1 LYS 56 3HZ LYS 56 23.854 -10.369 0.343 445 HZ2 LYS 56 1HZ LYS 56 22.312 -9.722 0.603 446 HZ3 LYS 56 2HZ LYS 56 22.854 -10.011 -0.973 447 H GLY 57 H GLY 57 17.113 -15.885 -0.495 448 HA2 GLY 57 2HA GLY 57 14.998 -14.701 0.999 449 HA3 GLY 57 3HA GLY 57 14.931 -16.236 0.148 450 H LYS 58 H LYS 58 16.914 -17.654 1.457 451 HA LYS 58 HA LYS 58 15.530 -18.420 3.836 452 HB2 LYS 58 2HB LYS 58 17.372 -20.071 4.081 453 HB3 LYS 58 3HB LYS 58 16.605 -20.117 2.498 454 HG2 LYS 58 2HG LYS 58 18.844 -20.265 1.975 455 HG3 LYS 58 3HG LYS 58 18.527 -18.538 1.787 456 HD2 LYS 58 2HD LYS 58 20.065 -18.059 3.319 457 HD3 LYS 58 3HD LYS 58 19.237 -19.072 4.504 458 HE2 LYS 58 2HE LYS 58 20.411 -21.036 3.649 459 HE3 LYS 58 3HE LYS 58 21.223 -20.035 2.447 460 HZ1 LYS 58 3HZ LYS 58 22.801 -20.066 4.061 461 HZ2 LYS 58 1HZ LYS 58 21.690 -20.230 5.326 462 HZ3 LYS 58 2HZ LYS 58 21.926 -18.722 4.598 463 H GLU 59 H GLU 59 18.091 -16.248 3.129 464 HA GLU 59 HA GLU 59 19.264 -16.281 5.756 465 HB2 GLU 59 2HB GLU 59 20.653 -15.694 3.863 466 HB3 GLU 59 3HB GLU 59 19.576 -14.372 3.435 467 HG2 GLU 59 2HG GLU 59 21.629 -13.610 4.542 468 HG3 GLU 59 3HG GLU 59 20.172 -13.173 5.433 469 H VAL 60 H VAL 60 17.507 -13.766 3.930 470 HA VAL 60 HA VAL 60 17.130 -11.952 5.964 471 HB VAL 60 HB VAL 60 15.203 -11.103 4.745 472 HG11 VAL 60 1HG1 VAL 60 17.602 -11.972 3.183 473 HG12 VAL 60 2HG1 VAL 60 16.299 -11.079 2.396 474 HG13 VAL 60 3HG1 VAL 60 17.164 -10.364 3.757 475 HG21 VAL 60 3HG2 VAL 60 15.093 -13.857 3.775 476 HG22 VAL 60 1HG2 VAL 60 13.817 -12.647 3.902 477 HG23 VAL 60 2HG2 VAL 60 14.894 -12.650 2.505 478 H LEU 61 H LEU 61 15.438 -14.950 5.375 479 HA LEU 61 HA LEU 61 13.255 -14.454 7.133 480 HB2 LEU 61 2HB LEU 61 14.313 -16.720 5.591 481 HB3 LEU 61 3HB LEU 61 13.450 -17.164 7.062 482 HG LEU 61 HG LEU 61 11.488 -15.890 6.242 483 HD11 LEU 61 1HD1 LEU 61 13.159 -14.593 4.613 484 HD12 LEU 61 2HD1 LEU 61 11.434 -14.756 4.284 485 HD13 LEU 61 3HD1 LEU 61 12.587 -15.834 3.498 486 HD21 LEU 61 3HD2 LEU 61 11.564 -18.274 5.905 487 HD22 LEU 61 1HD2 LEU 61 12.541 -18.075 4.450 488 HD23 LEU 61 2HD2 LEU 61 10.870 -17.510 4.474 489 H GLU 62 H GLU 62 16.313 -16.231 7.476 490 HA GLU 62 HA GLU 62 15.845 -16.976 10.183 491 HB2 GLU 62 2HB GLU 62 18.220 -17.011 8.359 492 HB3 GLU 62 3HB GLU 62 18.444 -17.295 10.080 493 HG2 GLU 62 2HG GLU 62 16.344 -18.856 8.688 494 HG3 GLU 62 3HG GLU 62 18.028 -19.262 8.362 495 H TRP 63 H TRP 63 17.344 -14.232 8.613 496 HA TRP 63 HA TRP 63 18.548 -13.189 10.995 497 HB2 TRP 63 2HB TRP 63 19.347 -12.711 8.658 498 HB3 TRP 63 3HB TRP 63 17.919 -11.704 8.439 499 HD1 TRP 63 HD1 TRP 63 20.024 -11.716 11.661 500 HE1 TRP 63 HE1 TRP 63 21.041 -9.371 11.971 501 HE3 TRP 63 HE3 TRP 63 18.561 -9.606 7.240 502 HZ2 TRP 63 HZ2 TRP 63 21.201 -6.948 10.532 503 HZ3 TRP 63 HZ3 TRP 63 19.186 -7.270 6.784 504 HH2 TRP 63 HH2 TRP 63 20.478 -5.970 8.398 505 H ALA 64 H ALA 64 15.674 -12.339 9.079 506 HA ALA 64 HA ALA 64 14.788 -10.182 10.588 507 HB1 ALA 64 1HB ALA 64 12.494 -10.841 9.731 508 HB2 ALA 64 2HB ALA 64 13.741 -10.571 8.513 509 HB3 ALA 64 3HB ALA 64 13.287 -12.215 8.961 510 H GLU 65 H GLU 65 14.539 -13.613 11.205 511 HA GLU 65 HA GLU 65 12.595 -13.371 13.297 512 HB2 GLU 65 2HB GLU 65 14.387 -15.598 12.360 513 HB3 GLU 65 3HB GLU 65 13.401 -15.761 13.806 514 HG2 GLU 65 2HG GLU 65 11.656 -14.814 11.859 515 HG3 GLU 65 3HG GLU 65 12.658 -16.008 11.036 516 H HIS 66 H HIS 66 16.014 -13.054 13.068 517 HA HIS 66 HA HIS 66 16.695 -13.648 15.753 518 HB2 HIS 66 2HB HIS 66 18.059 -12.865 13.405 519 HB3 HIS 66 3HB HIS 66 18.450 -11.665 14.633 520 HD1 HIS 66 HD1 HIS 66 19.448 -12.697 16.929 521 HD2 HIS 66 HD2 HIS 66 19.459 -15.191 13.606 522 HE1 HIS 66 HE1 HIS 66 21.074 -14.536 17.474 523 H LEU 67 H LEU 67 16.170 -10.543 14.084 524 HA LEU 67 HA LEU 67 16.397 -8.988 16.453 525 HB2 LEU 67 2HB LEU 67 15.853 -7.140 15.133 526 HB3 LEU 67 3HB LEU 67 16.720 -8.229 14.050 527 HG LEU 67 HG LEU 67 14.193 -8.972 13.512 528 HD11 LEU 67 1HD1 LEU 67 13.519 -7.076 15.164 529 HD12 LEU 67 2HD1 LEU 67 12.640 -7.277 13.649 530 HD13 LEU 67 3HD1 LEU 67 13.866 -6.018 13.796 531 HD21 LEU 67 3HD2 LEU 67 15.575 -8.453 11.728 532 HD22 LEU 67 1HD2 LEU 67 15.943 -6.843 12.346 533 HD23 LEU 67 2HD2 LEU 67 14.358 -7.179 11.649 534 H ALA 68 H ALA 68 13.740 -10.541 14.790 535 HA ALA 68 HA ALA 68 11.614 -9.207 16.074 536 HB1 ALA 68 1HB ALA 68 11.016 -10.396 14.165 537 HB2 ALA 68 2HB ALA 68 11.855 -11.855 14.693 538 HB3 ALA 68 3HB ALA 68 10.354 -11.368 15.479 539 H GLU 69 H GLU 69 13.594 -11.956 16.993 540 HA GLU 69 HA GLU 69 11.949 -12.628 19.265 541 HB2 GLU 69 2HB GLU 69 14.612 -13.600 18.253 542 HB3 GLU 69 3HB GLU 69 13.975 -14.114 19.809 543 HG2 GLU 69 2HG GLU 69 12.071 -14.384 17.614 544 HG3 GLU 69 3HG GLU 69 13.530 -15.354 17.421 545 H TRP 70 H TRP 70 14.560 -10.499 18.599 546 HA TRP 70 HA TRP 70 15.956 -10.264 20.925 547 HB2 TRP 70 2HB TRP 70 16.160 -8.877 18.781 548 HB3 TRP 70 3HB TRP 70 14.930 -7.826 19.479 549 HD1 TRP 70 HD1 TRP 70 18.612 -8.646 19.676 550 HE1 TRP 70 HE1 TRP 70 19.761 -7.019 21.307 551 HE3 TRP 70 HE3 TRP 70 14.459 -6.450 21.693 552 HZ2 TRP 70 HZ2 TRP 70 19.006 -5.064 23.198 553 HZ3 TRP 70 HZ3 TRP 70 14.759 -4.711 23.407 554 HH2 TRP 70 HH2 TRP 70 16.987 -4.034 24.143 555 H ILE 71 H ILE 71 12.687 -9.127 20.295 556 HA ILE 71 HA ILE 71 12.236 -7.486 22.456 557 HB ILE 71 HB ILE 71 9.857 -8.239 22.363 558 HG12 ILE 71 2HG1 ILE 71 11.025 -10.211 20.400 559 HG13 ILE 71 3HG1 ILE 71 10.061 -10.554 21.832 560 HG21 ILE 71 1HG2 ILE 71 10.863 -6.493 20.866 561 HG22 ILE 71 2HG2 ILE 71 11.006 -7.738 19.627 562 HG23 ILE 71 3HG2 ILE 71 9.416 -7.277 20.234 563 HD11 ILE 71 3HD1 ILE 71 9.205 -9.591 19.153 564 HD12 ILE 71 1HD1 ILE 71 8.524 -10.860 20.169 565 HD13 ILE 71 2HD1 ILE 71 8.245 -9.165 20.569 566 H LEU 72 H LEU 72 12.039 -11.025 22.338 567 HA LEU 72 HA LEU 72 11.249 -11.296 25.067 568 HB2 LEU 72 2HB LEU 72 12.530 -13.370 23.299 569 HB3 LEU 72 3HB LEU 72 11.573 -13.654 24.751 570 HG LEU 72 HG LEU 72 9.983 -12.191 22.890 571 HD11 LEU 72 1HD1 LEU 72 11.775 -13.379 21.372 572 HD12 LEU 72 2HD1 LEU 72 10.070 -13.350 20.924 573 HD13 LEU 72 3HD1 LEU 72 10.760 -14.790 21.671 574 HD21 LEU 72 3HD2 LEU 72 9.294 -13.750 24.737 575 HD22 LEU 72 1HD2 LEU 72 9.767 -15.087 23.687 576 HD23 LEU 72 2HD2 LEU 72 8.470 -13.997 23.197 577 H GLU 73 H GLU 73 14.322 -11.524 23.332 578 HA GLU 73 HA GLU 73 15.945 -12.479 25.365 579 HB2 GLU 73 2HB GLU 73 16.306 -11.175 22.822 580 HB3 GLU 73 3HB GLU 73 17.465 -10.549 23.986 581 HG2 GLU 73 2HG GLU 73 18.660 -12.300 23.200 582 HG3 GLU 73 3HG GLU 73 17.793 -13.121 24.497 583 H HIS 74 H HIS 74 14.656 -9.269 24.851 584 HA HIS 74 HA HIS 74 14.739 -7.349 26.075 585 HB2 HIS 74 2HB HIS 74 14.733 -9.554 28.057 586 HB3 HIS 74 3HB HIS 74 15.170 -7.961 28.665 587 HD1 HIS 74 HD1 HIS 74 12.317 -10.031 28.145 588 HD2 HIS 74 HD2 HIS 74 13.071 -5.957 27.834 589 HE1 HIS 74 HE1 HIS 74 10.062 -8.922 28.236 Start of MODEL 4 1 H1 MET 1 H MET 1 2.205 1.275 -3.833 2 HA MET 1 HA MET 1 4.474 0.923 -4.040 3 HB2 MET 1 2HB MET 1 4.367 2.465 -1.699 4 HB3 MET 1 3HB MET 1 5.310 1.042 -1.276 5 HG2 MET 1 2HG MET 1 7.077 1.915 -2.266 6 HG3 MET 1 3HG MET 1 6.210 1.941 -3.800 7 HE1 MET 1 3HE MET 1 7.447 3.668 -0.760 8 HE2 MET 1 1HE MET 1 8.450 4.311 -2.060 9 HE3 MET 1 2HE MET 1 7.382 5.386 -1.158 10 H GLY 2 H GLY 2 4.979 -1.127 -4.415 11 HA2 GLY 2 2HA GLY 2 4.605 -3.079 -2.230 12 HA3 GLY 2 3HA GLY 2 4.117 -3.443 -3.878 13 H THR 3 H THR 3 6.877 -2.794 -1.790 14 HA THR 3 HA THR 3 8.535 -4.381 -3.625 15 HB THR 3 HB THR 3 10.476 -2.868 -2.995 16 HG1 THR 3 HG1 THR 3 10.070 -1.044 -1.941 17 HG21 THR 3 3HG2 THR 3 8.984 -2.839 -5.154 18 HG22 THR 3 1HG2 THR 3 10.161 -1.558 -4.866 19 HG23 THR 3 2HG2 THR 3 8.454 -1.282 -4.517 20 H ILE 4 H ILE 4 10.146 -5.627 -2.658 21 HA ILE 4 HA ILE 4 9.615 -6.764 -0.203 22 HB ILE 4 HB ILE 4 12.303 -6.577 -1.567 23 HG12 ILE 4 2HG1 ILE 4 10.622 -7.573 -3.016 24 HG13 ILE 4 3HG1 ILE 4 11.720 -8.823 -2.442 25 HG21 ILE 4 1HG2 ILE 4 13.146 -7.667 0.170 26 HG22 ILE 4 2HG2 ILE 4 11.575 -7.639 0.969 27 HG23 ILE 4 3HG2 ILE 4 11.997 -8.977 -0.100 28 HD11 ILE 4 3HD1 ILE 4 9.420 -9.591 -2.427 29 HD12 ILE 4 1HD1 ILE 4 10.070 -9.515 -0.789 30 HD13 ILE 4 2HD1 ILE 4 8.970 -8.260 -1.361 31 H ASP 5 H ASP 5 11.680 -4.015 -0.962 32 HA ASP 5 HA ASP 5 13.028 -3.716 1.440 33 HB2 ASP 5 2HB ASP 5 12.269 -1.942 -0.792 34 HB3 ASP 5 3HB ASP 5 12.601 -1.123 0.732 35 H ASP 6 H ASP 6 9.711 -3.005 0.644 36 HA ASP 6 HA ASP 6 9.090 -1.301 2.792 37 HB2 ASP 6 2HB ASP 6 7.705 -1.964 0.672 38 HB3 ASP 6 3HB ASP 6 7.087 -3.249 1.705 39 H ALA 7 H ALA 7 9.147 -4.812 2.510 40 HA ALA 7 HA ALA 7 7.891 -5.435 4.942 41 HB1 ALA 7 1HB ALA 7 9.552 -7.526 4.640 42 HB2 ALA 7 2HB ALA 7 8.056 -7.329 3.725 43 HB3 ALA 7 3HB ALA 7 9.598 -6.862 3.007 44 H PHE 8 H PHE 8 11.325 -4.979 4.154 45 HA PHE 8 HA PHE 8 12.302 -5.532 6.744 46 HB2 PHE 8 2HB PHE 8 13.605 -3.724 4.706 47 HB3 PHE 8 3HB PHE 8 14.394 -4.647 5.981 48 HD1 PHE 8 HD2 PHE 8 13.150 -7.277 5.704 49 HD2 PHE 8 HD1 PHE 8 14.464 -4.538 2.722 50 HE1 PHE 8 HE2 PHE 8 13.488 -9.146 4.140 51 HE2 PHE 8 HE1 PHE 8 14.804 -6.403 1.154 52 HZ PHE 8 HZ PHE 8 14.316 -8.711 1.862 53 H ARG 9 H ARG 9 11.051 -2.638 5.237 54 HA ARG 9 HA ARG 9 11.951 -0.860 7.301 55 HB2 ARG 9 2HB ARG 9 9.983 -0.554 5.035 56 HB3 ARG 9 3HB ARG 9 10.325 0.737 6.179 57 HG2 ARG 9 2HG ARG 9 12.703 0.643 5.519 58 HG3 ARG 9 3HG ARG 9 12.287 -0.572 4.309 59 HD2 ARG 9 2HD ARG 9 11.404 0.949 2.908 60 HD3 ARG 9 3HD ARG 9 10.645 1.856 4.216 61 HE ARG 9 HE ARG 9 13.503 2.159 4.092 62 HH11 ARG 9 2HH1 ARG 9 10.439 3.329 2.924 63 HH12 ARG 9 1HH1 ARG 9 11.045 4.901 2.522 64 HH21 ARG 9 2HH2 ARG 9 14.313 4.226 3.567 65 HH22 ARG 9 1HH2 ARG 9 13.249 5.410 2.887 66 H ALA 10 H ALA 10 9.076 -2.742 6.662 67 HA ALA 10 HA ALA 10 7.453 -1.445 8.637 68 HB1 ALA 10 1HB ALA 10 6.617 -4.138 7.982 69 HB2 ALA 10 2HB ALA 10 5.799 -2.601 7.697 70 HB3 ALA 10 3HB ALA 10 6.987 -3.196 6.538 71 H ILE 11 H ILE 11 9.746 -4.046 8.622 72 HA ILE 11 HA ILE 11 9.011 -5.558 10.802 73 HB ILE 11 HB ILE 11 11.082 -5.751 9.229 74 HG12 ILE 11 2HG1 ILE 11 12.142 -6.680 11.705 75 HG13 ILE 11 3HG1 ILE 11 10.392 -6.857 11.767 76 HG21 ILE 11 1HG2 ILE 11 12.483 -4.518 11.574 77 HG22 ILE 11 2HG2 ILE 11 13.111 -4.872 9.965 78 HG23 ILE 11 3HG2 ILE 11 11.975 -3.542 10.195 79 HD11 ILE 11 3HD1 ILE 11 12.384 -8.254 10.108 80 HD12 ILE 11 1HD1 ILE 11 10.875 -8.835 10.811 81 HD13 ILE 11 2HD1 ILE 11 10.847 -7.868 9.336 82 H GLU 12 H GLU 12 10.299 -2.325 10.731 83 HA GLU 12 HA GLU 12 11.301 -2.026 13.285 84 HB2 GLU 12 2HB GLU 12 11.122 -0.336 11.309 85 HB3 GLU 12 3HB GLU 12 9.601 0.122 12.062 86 HG2 GLU 12 2HG GLU 12 10.935 0.457 14.196 87 HG3 GLU 12 3HG GLU 12 12.373 0.343 13.183 88 H ARG 13 H ARG 13 7.949 -2.017 12.205 89 HA ARG 13 HA ARG 13 6.879 -1.252 14.748 90 HB2 ARG 13 2HB ARG 13 5.898 -1.473 12.143 91 HB3 ARG 13 3HB ARG 13 5.019 -2.693 13.054 92 HG2 ARG 13 2HG ARG 13 3.644 -1.070 13.681 93 HG3 ARG 13 3HG ARG 13 4.958 -0.464 14.692 94 HD2 ARG 13 2HD ARG 13 5.556 0.499 12.166 95 HD3 ARG 13 3HD ARG 13 3.802 0.648 12.271 96 HE ARG 13 HE ARG 13 4.929 1.644 14.635 97 HH11 ARG 13 2HH1 ARG 13 4.738 2.411 11.244 98 HH12 ARG 13 1HH1 ARG 13 4.886 4.120 11.489 99 HH21 ARG 13 2HH2 ARG 13 5.124 3.891 14.970 100 HH22 ARG 13 1HH2 ARG 13 5.107 4.961 13.609 101 H ALA 14 H ALA 14 7.470 -4.291 13.076 102 HA ALA 14 HA ALA 14 6.031 -6.035 14.687 103 HB1 ALA 14 1HB ALA 14 7.122 -6.689 12.590 104 HB2 ALA 14 2HB ALA 14 8.696 -6.557 13.376 105 HB3 ALA 14 3HB ALA 14 7.541 -7.775 13.916 106 H ILE 15 H ILE 15 9.416 -4.986 15.050 107 HA ILE 15 HA ILE 15 9.863 -6.404 17.461 108 HB ILE 15 HB ILE 15 11.716 -5.663 16.048 109 HG12 ILE 15 2HG1 ILE 15 12.170 -4.102 18.538 110 HG13 ILE 15 3HG1 ILE 15 11.720 -5.793 18.724 111 HG21 ILE 15 1HG2 ILE 15 10.995 -2.873 16.935 112 HG22 ILE 15 2HG2 ILE 15 12.379 -3.329 15.943 113 HG23 ILE 15 3HG2 ILE 15 10.742 -3.532 15.319 114 HD11 ILE 15 3HD1 ILE 15 13.972 -6.010 18.663 115 HD12 ILE 15 1HD1 ILE 15 13.639 -6.114 16.934 116 HD13 ILE 15 2HD1 ILE 15 14.195 -4.594 17.636 117 H GLN 16 H GLN 16 8.692 -3.173 16.740 118 HA GLN 16 HA GLN 16 8.910 -2.041 19.288 119 HB2 GLN 16 2HB GLN 16 7.341 -1.491 16.841 120 HB3 GLN 16 3HB GLN 16 6.693 -0.822 18.333 121 HG2 GLN 16 2HG GLN 16 9.536 -0.353 18.097 122 HG3 GLN 16 3HG GLN 16 8.644 0.291 16.718 123 HE21 GLN 16 1HE2 GLN 16 6.433 1.299 17.579 124 HE22 GLN 16 2HE2 GLN 16 6.660 2.475 18.824 125 H ALA 17 H ALA 17 6.741 -4.416 18.048 126 HA ALA 17 HA ALA 17 4.494 -4.138 19.618 127 HB1 ALA 17 1HB ALA 17 4.311 -6.644 19.455 128 HB2 ALA 17 2HB ALA 17 4.511 -5.795 17.922 129 HB3 ALA 17 3HB ALA 17 5.883 -6.628 18.654 130 H GLU 18 H GLU 18 7.359 -6.118 20.412 131 HA GLU 18 HA GLU 18 8.096 -6.971 22.398 132 HB2 GLU 18 2HB GLU 18 7.298 -4.156 23.091 133 HB3 GLU 18 3HB GLU 18 7.999 -5.224 24.298 134 HG2 GLU 18 2HG GLU 18 10.054 -5.264 23.272 135 HG3 GLU 18 3HG GLU 18 9.392 -4.851 21.692 136 H ASN 19 H ASN 19 5.442 -7.718 21.758 137 HA ASN 19 HA ASN 19 3.919 -7.544 24.229 138 HB2 ASN 19 2HB ASN 19 2.754 -7.343 22.065 139 HB3 ASN 19 3HB ASN 19 3.277 -8.970 21.638 140 HD21 ASN 19 1HD2 ASN 19 1.343 -9.958 21.520 141 HD22 ASN 19 2HD2 ASN 19 0.255 -10.132 22.850 142 H GLU 20 H GLU 20 4.515 -10.344 22.120 143 HA GLU 20 HA GLU 20 6.026 -11.859 23.907 144 HB2 GLU 20 2HB GLU 20 4.218 -13.484 24.630 145 HB3 GLU 20 3HB GLU 20 4.221 -11.922 25.437 146 HG2 GLU 20 2HG GLU 20 2.452 -11.183 23.835 147 HG3 GLU 20 3HG GLU 20 2.371 -12.846 23.256 148 H GLY 21 H GLY 21 3.282 -12.175 21.659 149 HA2 GLY 21 2HA GLY 21 4.940 -14.012 20.060 150 HA3 GLY 21 3HA GLY 21 3.289 -14.451 20.470 151 H ARG 22 H ARG 22 3.437 -11.155 20.069 152 HA ARG 22 HA ARG 22 1.803 -11.120 17.803 153 HB2 ARG 22 2HB ARG 22 3.304 -9.105 19.372 154 HB3 ARG 22 3HB ARG 22 2.852 -8.637 17.738 155 HG2 ARG 22 2HG ARG 22 0.570 -8.807 18.193 156 HG3 ARG 22 3HG ARG 22 0.841 -9.772 19.645 157 HD2 ARG 22 2HD ARG 22 0.756 -7.906 20.846 158 HD3 ARG 22 3HD ARG 22 2.225 -7.361 20.036 159 HE ARG 22 HE ARG 22 -0.041 -6.824 18.432 160 HH11 ARG 22 2HH1 ARG 22 1.599 -5.739 21.305 161 HH12 ARG 22 1HH1 ARG 22 1.029 -4.109 21.172 162 HH21 ARG 22 2HH2 ARG 22 -0.798 -4.680 18.247 163 HH22 ARG 22 1HH2 ARG 22 -0.335 -3.507 19.433 164 H TYR 23 H TYR 23 5.298 -10.620 18.118 165 HA TYR 23 HA TYR 23 5.931 -9.869 15.546 166 HB2 TYR 23 2HB TYR 23 8.151 -10.593 15.984 167 HB3 TYR 23 3HB TYR 23 7.492 -10.087 17.535 168 HD1 TYR 23 HD2 TYR 23 6.352 -12.046 18.919 169 HD2 TYR 23 HD1 TYR 23 9.283 -12.603 15.886 170 HE1 TYR 23 HE2 TYR 23 6.924 -14.236 19.882 171 HE2 TYR 23 HE1 TYR 23 9.862 -14.795 16.839 172 HH TYR 23 HH TYR 23 8.369 -16.569 18.412 173 H ARG 24 H ARG 24 5.021 -13.014 16.745 174 HA ARG 24 HA ARG 24 5.940 -14.621 14.650 175 HB2 ARG 24 2HB ARG 24 5.046 -15.477 16.798 176 HB3 ARG 24 3HB ARG 24 3.432 -14.996 16.295 177 HG2 ARG 24 2HG ARG 24 4.721 -16.665 14.313 178 HG3 ARG 24 3HG ARG 24 4.629 -17.454 15.889 179 HD2 ARG 24 2HD ARG 24 2.343 -17.495 15.888 180 HD3 ARG 24 3HD ARG 24 2.210 -16.052 14.885 181 HE ARG 24 HE ARG 24 2.177 -17.395 13.040 182 HH11 ARG 24 2HH1 ARG 24 3.464 -19.204 15.721 183 HH12 ARG 24 1HH1 ARG 24 3.514 -20.703 14.854 184 HH21 ARG 24 2HH2 ARG 24 2.238 -19.363 11.888 185 HH22 ARG 24 1HH2 ARG 24 2.818 -20.792 12.674 186 H GLU 25 H GLU 25 2.779 -13.041 15.079 187 HA GLU 25 HA GLU 25 1.829 -13.869 12.508 188 HB2 GLU 25 2HB GLU 25 -0.169 -12.843 13.065 189 HB3 GLU 25 3HB GLU 25 0.483 -13.231 14.650 190 HG2 GLU 25 2HG GLU 25 1.516 -10.782 14.342 191 HG3 GLU 25 3HG GLU 25 0.061 -10.614 13.361 192 H ALA 26 H ALA 26 3.676 -11.221 13.705 193 HA ALA 26 HA ALA 26 3.102 -9.402 11.568 194 HB1 ALA 26 1HB ALA 26 4.136 -9.046 14.007 195 HB2 ALA 26 2HB ALA 26 5.631 -9.126 13.075 196 HB3 ALA 26 3HB ALA 26 4.408 -7.920 12.676 197 H LEU 27 H LEU 27 5.718 -11.676 12.297 198 HA LEU 27 HA LEU 27 7.370 -11.016 10.116 199 HB2 LEU 27 2HB LEU 27 7.073 -13.515 11.758 200 HB3 LEU 27 3HB LEU 27 8.262 -13.371 10.466 201 HG LEU 27 HG LEU 27 8.143 -11.679 12.962 202 HD11 LEU 27 1HD1 LEU 27 10.165 -12.842 13.606 203 HD12 LEU 27 2HD1 LEU 27 10.115 -13.802 12.129 204 HD13 LEU 27 3HD1 LEU 27 8.859 -13.999 13.351 205 HD21 LEU 27 3HD2 LEU 27 9.043 -10.300 11.293 206 HD22 LEU 27 1HD2 LEU 27 9.929 -11.631 10.548 207 HD23 LEU 27 2HD2 LEU 27 10.448 -10.991 12.108 208 H LYS 28 H LYS 28 4.533 -13.010 10.389 209 HA LYS 28 HA LYS 28 4.743 -14.666 8.192 210 HB2 LYS 28 2HB LYS 28 2.784 -14.108 10.001 211 HB3 LYS 28 3HB LYS 28 2.094 -13.420 8.537 212 HG2 LYS 28 2HG LYS 28 3.146 -15.979 7.901 213 HG3 LYS 28 3HG LYS 28 2.157 -16.126 9.356 214 HD2 LYS 28 2HD LYS 28 1.207 -14.674 6.900 215 HD3 LYS 28 3HD LYS 28 0.968 -16.408 7.124 216 HE2 LYS 28 2HE LYS 28 -0.076 -15.769 9.379 217 HE3 LYS 28 3HE LYS 28 -0.146 -14.131 8.732 218 HZ1 LYS 28 3HZ LYS 28 -1.451 -14.981 6.867 219 HZ2 LYS 28 1HZ LYS 28 -2.215 -15.285 8.346 220 HZ3 LYS 28 2HZ LYS 28 -1.414 -16.535 7.535 221 H HIS 29 H HIS 29 4.095 -11.237 8.310 222 HA HIS 29 HA HIS 29 3.197 -10.986 5.615 223 HB2 HIS 29 2HB HIS 29 2.867 -9.347 7.586 224 HB3 HIS 29 3HB HIS 29 4.480 -8.765 7.188 225 HD1 HIS 29 HD1 HIS 29 3.030 -6.499 6.736 226 HD2 HIS 29 HD2 HIS 29 2.592 -9.600 4.006 227 HE1 HIS 29 HE1 HIS 29 2.030 -5.449 4.681 228 H PHE 30 H PHE 30 6.323 -10.747 7.218 229 HA PHE 30 HA PHE 30 7.691 -9.861 4.847 230 HB2 PHE 30 2HB PHE 30 8.953 -11.015 7.333 231 HB3 PHE 30 3HB PHE 30 9.683 -9.925 6.159 232 HD1 PHE 30 HD1 PHE 30 7.591 -7.892 5.851 233 HD2 PHE 30 HD2 PHE 30 9.020 -9.865 9.341 234 HE1 PHE 30 HE1 PHE 30 6.910 -5.962 7.217 235 HE2 PHE 30 HE2 PHE 30 8.341 -7.939 10.713 236 HZ PHE 30 HZ PHE 30 7.283 -5.984 9.651 237 H LEU 31 H LEU 31 7.070 -12.905 6.455 238 HA LEU 31 HA LEU 31 8.972 -14.527 5.238 239 HB2 LEU 31 2HB LEU 31 6.681 -14.870 6.842 240 HB3 LEU 31 3HB LEU 31 6.483 -15.929 5.447 241 HG LEU 31 HG LEU 31 8.746 -16.885 5.977 242 HD11 LEU 31 1HD1 LEU 31 9.817 -16.443 8.003 243 HD12 LEU 31 2HD1 LEU 31 8.409 -15.622 8.676 244 HD13 LEU 31 3HD1 LEU 31 9.355 -14.850 7.404 245 HD21 LEU 31 3HD2 LEU 31 6.427 -17.128 7.868 246 HD22 LEU 31 1HD2 LEU 31 7.875 -18.122 8.033 247 HD23 LEU 31 2HD2 LEU 31 6.907 -18.212 6.562 248 H ASP 32 H ASP 32 5.899 -13.336 4.031 249 HA ASP 32 HA ASP 32 5.819 -15.001 1.720 250 HB2 ASP 32 2HB ASP 32 3.903 -13.662 2.869 251 HB3 ASP 32 3HB ASP 32 4.467 -12.324 1.871 252 H GLY 33 H GLY 33 7.564 -12.177 2.547 253 HA2 GLY 33 2HA GLY 33 7.882 -11.045 -0.034 254 HA3 GLY 33 3HA GLY 33 8.928 -10.768 1.350 255 H GLY 34 H GLY 34 9.821 -13.380 1.805 256 HA2 GLY 34 2HA GLY 34 11.929 -13.539 -0.084 257 HA3 GLY 34 3HA GLY 34 11.579 -14.718 1.171 258 H GLU 35 H GLU 35 8.962 -15.415 0.348 259 HA GLU 35 HA GLU 35 9.531 -17.431 -1.520 260 HB2 GLU 35 2HB GLU 35 6.794 -16.335 -0.871 261 HB3 GLU 35 3HB GLU 35 7.181 -17.941 -1.471 262 HG2 GLU 35 2HG GLU 35 8.631 -17.494 0.936 263 HG3 GLU 35 3HG GLU 35 6.939 -17.077 1.202 264 H MET 36 H MET 36 8.792 -14.133 -1.954 265 HA MET 36 HA MET 36 7.512 -14.231 -4.472 266 HB2 MET 36 2HB MET 36 9.227 -12.041 -3.286 267 HB3 MET 36 3HB MET 36 8.147 -11.862 -4.662 268 HG2 MET 36 2HG MET 36 6.726 -12.964 -2.427 269 HG3 MET 36 3HG MET 36 7.556 -11.482 -1.958 270 HE1 MET 36 3HE MET 36 3.571 -11.665 -3.705 271 HE2 MET 36 1HE MET 36 4.615 -12.997 -4.203 272 HE3 MET 36 2HE MET 36 4.431 -12.613 -2.491 273 H ILE 37 H ILE 37 10.920 -13.756 -3.569 274 HA ILE 37 HA ILE 37 11.784 -13.785 -6.317 275 HB ILE 37 HB ILE 37 12.953 -12.472 -4.543 276 HG12 ILE 37 2HG1 ILE 37 15.239 -13.054 -5.311 277 HG13 ILE 37 3HG1 ILE 37 14.606 -14.542 -6.006 278 HG21 ILE 37 1HG2 ILE 37 14.537 -13.687 -3.079 279 HG22 ILE 37 2HG2 ILE 37 12.847 -14.039 -2.718 280 HG23 ILE 37 3HG2 ILE 37 13.818 -15.206 -3.615 281 HD11 ILE 37 3HD1 ILE 37 14.169 -13.463 -7.879 282 HD12 ILE 37 1HD1 ILE 37 13.056 -12.405 -7.012 283 HD13 ILE 37 2HD1 ILE 37 14.757 -11.962 -7.165 284 H VAL 38 H VAL 38 11.394 -16.090 -3.758 285 HA VAL 38 HA VAL 38 13.161 -18.092 -4.623 286 HB VAL 38 HB VAL 38 10.540 -18.370 -3.149 287 HG11 VAL 38 1HG1 VAL 38 12.575 -20.348 -3.998 288 HG12 VAL 38 2HG1 VAL 38 11.917 -20.515 -2.369 289 HG13 VAL 38 3HG1 VAL 38 10.837 -20.536 -3.765 290 HG21 VAL 38 3HG2 VAL 38 13.050 -18.783 -1.709 291 HG22 VAL 38 1HG2 VAL 38 12.838 -17.141 -2.317 292 HG23 VAL 38 2HG2 VAL 38 11.622 -17.852 -1.256 293 H THR 39 H THR 39 9.740 -17.527 -5.382 294 HA THR 39 HA THR 39 9.195 -19.764 -6.896 295 HB THR 39 HB THR 39 7.558 -17.957 -6.271 296 HG1 THR 39 HG1 THR 39 6.847 -19.505 -7.705 297 HG21 THR 39 3HG2 THR 39 7.515 -15.925 -7.270 298 HG22 THR 39 1HG2 THR 39 8.077 -16.555 -8.818 299 HG23 THR 39 2HG2 THR 39 9.230 -16.249 -7.520 300 H ALA 40 H ALA 40 11.086 -16.956 -7.741 301 HA ALA 40 HA ALA 40 11.161 -17.495 -10.554 302 HB1 ALA 40 1HB ALA 40 13.380 -15.912 -9.574 303 HB2 ALA 40 2HB ALA 40 12.080 -15.471 -10.682 304 HB3 ALA 40 3HB ALA 40 11.834 -15.346 -8.940 305 H ALA 41 H ALA 41 13.357 -18.059 -7.828 306 HA ALA 41 HA ALA 41 15.455 -19.179 -9.367 307 HB1 ALA 41 1HB ALA 41 16.332 -18.634 -7.369 308 HB2 ALA 41 2HB ALA 41 14.813 -18.898 -6.512 309 HB3 ALA 41 3HB ALA 41 15.843 -20.270 -6.923 310 H GLU 42 H GLU 42 12.871 -20.669 -7.423 311 HA GLU 42 HA GLU 42 13.534 -23.332 -7.808 312 HB2 GLU 42 2HB GLU 42 10.775 -22.115 -7.587 313 HB3 GLU 42 3HB GLU 42 11.148 -23.820 -7.380 314 HG2 GLU 42 2HG GLU 42 12.769 -22.107 -5.686 315 HG3 GLU 42 3HG GLU 42 11.040 -21.921 -5.395 316 H LYS 43 H LYS 43 11.292 -21.350 -9.743 317 HA LYS 43 HA LYS 43 10.779 -23.339 -11.680 318 HB2 LYS 43 2HB LYS 43 10.210 -20.477 -11.334 319 HB3 LYS 43 3HB LYS 43 10.357 -20.981 -13.013 320 HG2 LYS 43 2HG LYS 43 8.292 -21.765 -12.954 321 HG3 LYS 43 3HG LYS 43 8.756 -22.899 -11.683 322 HD2 LYS 43 2HD LYS 43 8.315 -20.128 -10.796 323 HD3 LYS 43 3HD LYS 43 6.881 -20.965 -11.395 324 HE2 LYS 43 2HE LYS 43 8.125 -22.841 -9.787 325 HE3 LYS 43 3HE LYS 43 8.354 -21.326 -8.916 326 HZ1 LYS 43 3HZ LYS 43 5.700 -22.045 -9.977 327 HZ2 LYS 43 1HZ LYS 43 6.091 -21.011 -8.697 328 HZ3 LYS 43 2HZ LYS 43 6.231 -22.686 -8.504 329 H GLU 44 H GLU 44 13.428 -21.204 -11.194 330 HA GLU 44 HA GLU 44 14.372 -21.384 -13.930 331 HB2 GLU 44 2HB GLU 44 15.292 -19.991 -11.451 332 HB3 GLU 44 3HB GLU 44 16.443 -20.257 -12.752 333 HG2 GLU 44 2HG GLU 44 13.804 -18.847 -13.064 334 HG3 GLU 44 3HG GLU 44 15.355 -18.044 -12.830 335 H ALA 45 H ALA 45 16.931 -21.822 -13.964 336 HA ALA 45 HA ALA 45 17.841 -23.930 -12.263 337 HB1 ALA 45 1HB ALA 45 18.052 -25.546 -14.280 338 HB2 ALA 45 2HB ALA 45 16.517 -25.436 -13.416 339 HB3 ALA 45 3HB ALA 45 16.725 -24.600 -14.955 340 H SER 46 H SER 46 18.217 -22.708 -15.595 341 HA SER 46 HA SER 46 21.112 -22.867 -15.337 342 HB2 SER 46 2HB SER 46 19.984 -23.620 -17.427 343 HB3 SER 46 3HB SER 46 19.451 -21.962 -17.701 344 HG SER 46 HG SER 46 21.296 -21.800 -18.701 345 H GLN 47 H GLN 47 20.163 -21.063 -13.557 346 HA GLN 47 HA GLN 47 20.894 -18.476 -14.765 347 HB2 GLN 47 2HB GLN 47 18.459 -18.935 -13.805 348 HB3 GLN 47 3HB GLN 47 19.250 -18.561 -12.280 349 HG2 GLN 47 2HG GLN 47 18.647 -16.464 -12.797 350 HG3 GLN 47 3HG GLN 47 20.125 -16.502 -13.758 351 HE21 GLN 47 1HE2 GLN 47 16.905 -15.796 -13.807 352 HE22 GLN 47 2HE2 GLN 47 16.629 -15.847 -15.512 353 H LYS 48 H LYS 48 22.591 -17.458 -13.906 354 HA LYS 48 HA LYS 48 24.077 -18.718 -11.796 355 HB2 LYS 48 2HB LYS 48 24.615 -16.045 -13.095 356 HB3 LYS 48 3HB LYS 48 25.761 -17.052 -12.220 357 HG2 LYS 48 2HG LYS 48 25.066 -18.790 -14.112 358 HG3 LYS 48 3HG LYS 48 24.747 -17.291 -14.988 359 HD2 LYS 48 2HD LYS 48 26.926 -17.254 -15.468 360 HD3 LYS 48 3HD LYS 48 27.196 -16.846 -13.772 361 HE2 LYS 48 2HE LYS 48 28.448 -18.702 -13.719 362 HE3 LYS 48 3HE LYS 48 26.910 -19.563 -13.671 363 HZ1 LYS 48 3HZ LYS 48 28.322 -20.464 -15.386 364 HZ2 LYS 48 1HZ LYS 48 28.494 -18.942 -16.106 365 HZ3 LYS 48 2HZ LYS 48 26.987 -19.709 -16.099 366 H VAL 49 H VAL 49 21.907 -16.013 -12.086 367 HA VAL 49 HA VAL 49 22.611 -14.821 -9.570 368 HB VAL 49 HB VAL 49 20.519 -13.486 -9.903 369 HG11 VAL 49 1HG1 VAL 49 21.978 -13.278 -12.471 370 HG12 VAL 49 2HG1 VAL 49 21.590 -12.034 -11.280 371 HG13 VAL 49 3HG1 VAL 49 22.931 -13.144 -10.993 372 HG21 VAL 49 3HG2 VAL 49 19.304 -15.236 -11.179 373 HG22 VAL 49 1HG2 VAL 49 19.298 -13.660 -11.970 374 HG23 VAL 49 2HG2 VAL 49 20.375 -14.932 -12.546 375 H ARG 50 H ARG 50 20.272 -17.164 -10.699 376 HA ARG 50 HA ARG 50 18.364 -17.222 -8.770 377 HB2 ARG 50 2HB ARG 50 18.266 -18.792 -10.566 378 HB3 ARG 50 3HB ARG 50 19.786 -19.534 -10.086 379 HG2 ARG 50 2HG ARG 50 17.961 -19.678 -7.901 380 HG3 ARG 50 3HG ARG 50 17.169 -20.281 -9.359 381 HD2 ARG 50 2HD ARG 50 18.192 -22.210 -8.812 382 HD3 ARG 50 3HD ARG 50 19.588 -21.461 -9.586 383 HE ARG 50 HE ARG 50 19.626 -20.681 -6.926 384 HH11 ARG 50 2HH1 ARG 50 19.837 -23.637 -8.754 385 HH12 ARG 50 1HH1 ARG 50 20.830 -24.442 -7.585 386 HH21 ARG 50 2HH2 ARG 50 20.933 -21.732 -5.379 387 HH22 ARG 50 1HH2 ARG 50 21.452 -23.358 -5.665 388 H ASN 51 H ASN 51 21.611 -18.629 -8.514 389 HA ASN 51 HA ASN 51 21.381 -19.850 -6.038 390 HB2 ASN 51 2HB ASN 51 23.341 -20.072 -7.535 391 HB3 ASN 51 3HB ASN 51 23.815 -18.424 -7.134 392 HD21 ASN 51 1HD2 ASN 51 25.747 -18.960 -6.214 393 HD22 ASN 51 2HD2 ASN 51 25.882 -19.823 -4.723 394 H LEU 52 H LEU 52 22.374 -16.513 -6.764 395 HA LEU 52 HA LEU 52 22.631 -15.771 -4.022 396 HB2 LEU 52 2HB LEU 52 23.654 -14.708 -6.168 397 HB3 LEU 52 3HB LEU 52 22.145 -13.799 -6.216 398 HG LEU 52 HG LEU 52 23.970 -13.798 -3.822 399 HD11 LEU 52 1HD1 LEU 52 25.360 -12.908 -5.468 400 HD12 LEU 52 2HD1 LEU 52 24.601 -11.491 -4.745 401 HD13 LEU 52 3HD1 LEU 52 24.026 -12.104 -6.295 402 HD21 LEU 52 3HD2 LEU 52 21.995 -12.943 -3.066 403 HD22 LEU 52 1HD2 LEU 52 21.507 -12.361 -4.658 404 HD23 LEU 52 2HD2 LEU 52 22.713 -11.472 -3.726 405 H LEU 53 H LEU 53 20.034 -15.747 -6.349 406 HA LEU 53 HA LEU 53 18.296 -13.930 -5.131 407 HB2 LEU 53 2HB LEU 53 18.023 -16.199 -7.010 408 HB3 LEU 53 3HB LEU 53 16.556 -15.672 -6.187 409 HG LEU 53 HG LEU 53 16.497 -13.659 -7.293 410 HD11 LEU 53 1HD1 LEU 53 18.614 -12.847 -8.555 411 HD12 LEU 53 2HD1 LEU 53 19.465 -13.947 -7.472 412 HD13 LEU 53 3HD1 LEU 53 18.503 -12.626 -6.808 413 HD21 LEU 53 3HD2 LEU 53 16.694 -14.099 -9.595 414 HD22 LEU 53 1HD2 LEU 53 16.373 -15.665 -8.849 415 HD23 LEU 53 2HD2 LEU 53 18.012 -15.245 -9.348 416 H LEU 54 H LEU 54 18.640 -17.432 -4.655 417 HA LEU 54 HA LEU 54 16.609 -17.534 -2.633 418 HB2 LEU 54 2HB LEU 54 18.740 -19.559 -3.294 419 HB3 LEU 54 3HB LEU 54 17.285 -19.843 -2.341 420 HG LEU 54 HG LEU 54 16.915 -18.889 -5.125 421 HD11 LEU 54 1HD1 LEU 54 17.219 -21.798 -4.889 422 HD12 LEU 54 2HD1 LEU 54 18.722 -20.881 -4.793 423 HD13 LEU 54 3HD1 LEU 54 17.671 -20.708 -6.199 424 HD21 LEU 54 3HD2 LEU 54 15.533 -20.752 -3.218 425 HD22 LEU 54 1HD2 LEU 54 15.117 -20.695 -4.931 426 HD23 LEU 54 2HD2 LEU 54 14.934 -19.253 -3.931 427 H HIS 55 H HIS 55 20.150 -17.550 -2.661 428 HA HIS 55 HA HIS 55 20.623 -17.991 0.039 429 HB2 HIS 55 2HB HIS 55 22.313 -17.828 -1.872 430 HB3 HIS 55 3HB HIS 55 22.253 -16.084 -1.635 431 HD1 HIS 55 HD1 HIS 55 22.865 -15.331 0.943 432 HD2 HIS 55 HD2 HIS 55 24.156 -19.070 -0.327 433 HE1 HIS 55 HE1 HIS 55 24.692 -15.990 2.540 434 H LYS 56 H LYS 56 20.005 -14.942 -1.660 435 HA LYS 56 HA LYS 56 20.288 -13.300 0.645 436 HB2 LYS 56 2HB LYS 56 19.475 -12.955 -2.159 437 HB3 LYS 56 3HB LYS 56 18.691 -11.849 -1.039 438 HG2 LYS 56 2HG LYS 56 21.670 -12.237 -1.188 439 HG3 LYS 56 3HG LYS 56 20.791 -10.990 -2.077 440 HD2 LYS 56 2HD LYS 56 19.878 -10.737 0.530 441 HD3 LYS 56 3HD LYS 56 21.603 -11.064 0.709 442 HE2 LYS 56 2HE LYS 56 22.210 -9.104 -0.257 443 HE3 LYS 56 3HE LYS 56 20.839 -9.102 -1.366 444 HZ1 LYS 56 3HZ LYS 56 19.409 -8.422 0.452 445 HZ2 LYS 56 1HZ LYS 56 20.680 -7.322 0.264 446 HZ3 LYS 56 2HZ LYS 56 20.714 -8.445 1.528 447 H GLY 57 H GLY 57 17.628 -15.054 -0.796 448 HA2 GLY 57 2HA GLY 57 15.545 -13.742 0.637 449 HA3 GLY 57 3HA GLY 57 15.425 -15.296 -0.175 450 H LYS 58 H LYS 58 17.118 -16.904 1.120 451 HA LYS 58 HA LYS 58 15.743 -17.569 3.472 452 HB2 LYS 58 2HB LYS 58 17.619 -19.164 3.859 453 HB3 LYS 58 3HB LYS 58 16.929 -19.265 2.245 454 HG2 LYS 58 2HG LYS 58 19.177 -19.353 1.796 455 HG3 LYS 58 3HG LYS 58 18.849 -17.628 1.613 456 HD2 LYS 58 2HD LYS 58 20.399 -17.200 3.148 457 HD3 LYS 58 3HD LYS 58 19.429 -18.069 4.340 458 HE2 LYS 58 2HE LYS 58 21.393 -19.247 4.454 459 HE3 LYS 58 3HE LYS 58 20.530 -20.177 3.230 460 HZ1 LYS 58 3HZ LYS 58 22.199 -19.794 1.850 461 HZ2 LYS 58 1HZ LYS 58 22.990 -18.837 3.000 462 HZ3 LYS 58 2HZ LYS 58 21.894 -18.132 1.922 463 H GLU 59 H GLU 59 18.304 -15.354 2.901 464 HA GLU 59 HA GLU 59 19.308 -15.329 5.596 465 HB2 GLU 59 2HB GLU 59 19.844 -13.827 3.090 466 HB3 GLU 59 3HB GLU 59 20.238 -13.020 4.601 467 HG2 GLU 59 2HG GLU 59 21.177 -15.796 4.365 468 HG3 GLU 59 3HG GLU 59 21.920 -14.639 3.262 469 H VAL 60 H VAL 60 17.599 -12.879 3.640 470 HA VAL 60 HA VAL 60 17.054 -11.057 5.631 471 HB VAL 60 HB VAL 60 15.068 -10.378 4.285 472 HG11 VAL 60 1HG1 VAL 60 17.828 -10.560 3.373 473 HG12 VAL 60 2HG1 VAL 60 16.673 -10.368 2.053 474 HG13 VAL 60 3HG1 VAL 60 16.719 -9.188 3.364 475 HG21 VAL 60 3HG2 VAL 60 14.568 -11.517 2.209 476 HG22 VAL 60 1HG2 VAL 60 15.849 -12.692 2.514 477 HG23 VAL 60 2HG2 VAL 60 14.425 -12.649 3.554 478 H LEU 61 H LEU 61 15.484 -14.105 4.969 479 HA LEU 61 HA LEU 61 13.201 -13.632 6.623 480 HB2 LEU 61 2HB LEU 61 14.391 -16.211 5.613 481 HB3 LEU 61 3HB LEU 61 12.817 -16.053 6.390 482 HG LEU 61 HG LEU 61 13.427 -14.535 3.880 483 HD11 LEU 61 1HD1 LEU 61 13.979 -16.684 3.150 484 HD12 LEU 61 2HD1 LEU 61 12.279 -16.503 2.719 485 HD13 LEU 61 3HD1 LEU 61 12.732 -17.442 4.141 486 HD21 LEU 61 3HD2 LEU 61 11.410 -13.819 4.725 487 HD22 LEU 61 1HD2 LEU 61 11.011 -15.396 5.406 488 HD23 LEU 61 2HD2 LEU 61 10.891 -15.132 3.667 489 H GLU 62 H GLU 62 16.277 -15.342 7.051 490 HA GLU 62 HA GLU 62 15.700 -16.206 9.705 491 HB2 GLU 62 2HB GLU 62 18.168 -16.106 8.007 492 HB3 GLU 62 3HB GLU 62 18.298 -16.474 9.721 493 HG2 GLU 62 2HG GLU 62 16.392 -17.993 7.996 494 HG3 GLU 62 3HG GLU 62 18.107 -18.400 8.010 495 H TRP 63 H TRP 63 17.018 -13.317 8.309 496 HA TRP 63 HA TRP 63 18.216 -12.333 10.719 497 HB2 TRP 63 2HB TRP 63 18.689 -11.694 8.217 498 HB3 TRP 63 3HB TRP 63 17.386 -10.537 8.469 499 HD1 TRP 63 HD1 TRP 63 17.895 -8.423 9.963 500 HE1 TRP 63 HE1 TRP 63 20.065 -7.437 10.933 501 HE3 TRP 63 HE3 TRP 63 21.006 -12.407 9.201 502 HZ2 TRP 63 HZ2 TRP 63 22.743 -8.242 11.323 503 HZ3 TRP 63 HZ3 TRP 63 23.357 -12.218 9.901 504 HH2 TRP 63 HH2 TRP 63 24.206 -10.178 10.939 505 H ALA 64 H ALA 64 15.221 -11.608 8.946 506 HA ALA 64 HA ALA 64 14.226 -9.610 10.597 507 HB1 ALA 64 1HB ALA 64 12.860 -9.721 8.822 508 HB2 ALA 64 2HB ALA 64 13.114 -11.454 8.609 509 HB3 ALA 64 3HB ALA 64 11.953 -10.873 9.803 510 H GLU 65 H GLU 65 14.263 -13.078 11.033 511 HA GLU 65 HA GLU 65 12.389 -13.094 13.203 512 HB2 GLU 65 2HB GLU 65 14.382 -15.173 12.284 513 HB3 GLU 65 3HB GLU 65 13.159 -15.437 13.520 514 HG2 GLU 65 2HG GLU 65 11.814 -14.418 11.273 515 HG3 GLU 65 3HG GLU 65 12.936 -15.643 10.681 516 H HIS 66 H HIS 66 15.763 -12.509 12.868 517 HA HIS 66 HA HIS 66 16.586 -13.191 15.495 518 HB2 HIS 66 2HB HIS 66 17.799 -12.179 13.140 519 HB3 HIS 66 3HB HIS 66 18.179 -11.054 14.441 520 HD1 HIS 66 HD1 HIS 66 18.637 -12.913 16.776 521 HD2 HIS 66 HD2 HIS 66 20.017 -13.715 12.940 522 HE1 HIS 66 HE1 HIS 66 20.554 -14.513 17.072 523 H LEU 67 H LEU 67 15.887 -10.025 14.007 524 HA LEU 67 HA LEU 67 16.048 -8.608 16.466 525 HB2 LEU 67 2HB LEU 67 15.349 -6.709 15.255 526 HB3 LEU 67 3HB LEU 67 16.367 -7.650 14.166 527 HG LEU 67 HG LEU 67 13.971 -8.585 13.423 528 HD11 LEU 67 1HD1 LEU 67 12.223 -7.131 13.645 529 HD12 LEU 67 2HD1 LEU 67 13.269 -5.726 13.850 530 HD13 LEU 67 3HD1 LEU 67 13.046 -6.860 15.182 531 HD21 LEU 67 3HD2 LEU 67 15.745 -6.434 12.511 532 HD22 LEU 67 1HD2 LEU 67 14.104 -6.363 11.868 533 HD23 LEU 67 2HD2 LEU 67 15.082 -7.812 11.632 534 H ALA 68 H ALA 68 13.444 -10.135 14.685 535 HA ALA 68 HA ALA 68 11.272 -8.984 16.052 536 HB1 ALA 68 1HB ALA 68 9.966 -10.854 15.197 537 HB2 ALA 68 2HB ALA 68 11.027 -10.204 13.947 538 HB3 ALA 68 3HB ALA 68 11.449 -11.707 14.768 539 H GLU 69 H GLU 69 13.357 -11.707 16.804 540 HA GLU 69 HA GLU 69 11.743 -12.576 19.030 541 HB2 GLU 69 2HB GLU 69 14.455 -13.384 17.994 542 HB3 GLU 69 3HB GLU 69 13.787 -14.042 19.481 543 HG2 GLU 69 2HG GLU 69 11.918 -14.203 17.271 544 HG3 GLU 69 3HG GLU 69 13.432 -15.041 16.938 545 H TRP 70 H TRP 70 14.286 -10.327 18.493 546 HA TRP 70 HA TRP 70 15.671 -10.188 20.834 547 HB2 TRP 70 2HB TRP 70 16.049 -8.689 18.912 548 HB3 TRP 70 3HB TRP 70 14.568 -7.821 19.304 549 HD1 TRP 70 HD1 TRP 70 18.172 -8.288 20.500 550 HE1 TRP 70 HE1 TRP 70 18.744 -6.396 22.148 551 HE3 TRP 70 HE3 TRP 70 13.531 -6.196 20.977 552 HZ2 TRP 70 HZ2 TRP 70 17.405 -4.295 23.474 553 HZ3 TRP 70 HZ3 TRP 70 13.262 -4.248 22.455 554 HH2 TRP 70 HH2 TRP 70 15.160 -3.319 23.678 555 H ILE 71 H ILE 71 12.377 -9.089 20.253 556 HA ILE 71 HA ILE 71 11.880 -7.599 22.513 557 HB ILE 71 HB ILE 71 9.518 -8.378 22.351 558 HG12 ILE 71 2HG1 ILE 71 10.730 -10.229 20.300 559 HG13 ILE 71 3HG1 ILE 71 9.752 -10.656 21.699 560 HG21 ILE 71 1HG2 ILE 71 9.072 -7.271 20.316 561 HG22 ILE 71 2HG2 ILE 71 10.559 -6.555 20.935 562 HG23 ILE 71 3HG2 ILE 71 10.628 -7.740 19.632 563 HD11 ILE 71 3HD1 ILE 71 7.942 -9.211 20.478 564 HD12 ILE 71 1HD1 ILE 71 8.920 -9.581 19.059 565 HD13 ILE 71 2HD1 ILE 71 8.229 -10.889 20.018 566 H LEU 72 H LEU 72 11.759 -11.126 22.164 567 HA LEU 72 HA LEU 72 10.953 -11.592 24.862 568 HB2 LEU 72 2HB LEU 72 12.294 -13.516 22.972 569 HB3 LEU 72 3HB LEU 72 11.336 -13.918 24.396 570 HG LEU 72 HG LEU 72 9.722 -12.373 22.626 571 HD11 LEU 72 1HD1 LEU 72 9.882 -13.347 20.582 572 HD12 LEU 72 2HD1 LEU 72 10.509 -14.864 21.226 573 HD13 LEU 72 3HD1 LEU 72 11.574 -13.467 21.067 574 HD21 LEU 72 3HD2 LEU 72 9.066 -14.071 24.362 575 HD22 LEU 72 1HD2 LEU 72 9.568 -15.320 23.223 576 HD23 LEU 72 2HD2 LEU 72 8.249 -14.226 22.806 577 H GLU 73 H GLU 73 14.042 -11.578 23.153 578 HA GLU 73 HA GLU 73 15.677 -12.650 25.124 579 HB2 GLU 73 2HB GLU 73 16.178 -11.833 22.673 580 HB3 GLU 73 3HB GLU 73 16.646 -10.345 23.484 581 HG2 GLU 73 2HG GLU 73 18.500 -11.258 24.399 582 HG3 GLU 73 3HG GLU 73 17.769 -12.853 24.564 583 H HIS 74 H HIS 74 14.211 -9.503 24.896 584 HA HIS 74 HA HIS 74 14.130 -7.727 26.315 585 HB2 HIS 74 2HB HIS 74 13.618 -9.745 27.879 586 HB3 HIS 74 3HB HIS 74 15.238 -9.455 28.508 587 HD1 HIS 74 HD1 HIS 74 13.367 -9.064 30.627 588 HD2 HIS 74 HD2 HIS 74 13.953 -6.053 27.825 589 HE1 HIS 74 HE1 HIS 74 12.563 -6.953 31.731 Start of MODEL 5 1 H1 MET 1 H MET 1 1.727 -0.901 -3.445 2 HA MET 1 HA MET 1 3.969 -1.984 -2.439 3 HB2 MET 1 2HB MET 1 2.541 -3.319 -0.887 4 HB3 MET 1 3HB MET 1 2.053 -1.635 -1.032 5 HG2 MET 1 2HG MET 1 0.299 -2.324 -2.629 6 HG3 MET 1 3HG MET 1 0.753 -4.004 -2.353 7 HE1 MET 1 3HE MET 1 -2.277 -2.064 -1.516 8 HE2 MET 1 1HE MET 1 -1.940 -3.657 -2.192 9 HE3 MET 1 2HE MET 1 -2.725 -3.516 -0.620 10 H GLY 2 H GLY 2 4.417 -4.319 -1.805 11 HA2 GLY 2 2HA GLY 2 4.182 -6.659 -2.416 12 HA3 GLY 2 3HA GLY 2 3.797 -6.134 -4.048 13 H THR 3 H THR 3 6.429 -5.179 -1.860 14 HA THR 3 HA THR 3 8.347 -6.315 -3.778 15 HB THR 3 HB THR 3 9.818 -4.280 -3.241 16 HG1 THR 3 HG1 THR 3 8.572 -3.376 -1.583 17 HG21 THR 3 3HG2 THR 3 8.640 -2.885 -4.977 18 HG22 THR 3 1HG2 THR 3 7.337 -4.072 -4.941 19 HG23 THR 3 2HG2 THR 3 8.956 -4.555 -5.447 20 H ILE 4 H ILE 4 10.272 -7.072 -2.909 21 HA ILE 4 HA ILE 4 10.237 -8.194 -0.391 22 HB ILE 4 HB ILE 4 12.680 -7.378 -1.967 23 HG12 ILE 4 2HG1 ILE 4 11.217 -8.826 -3.264 24 HG13 ILE 4 3HG1 ILE 4 12.639 -9.729 -2.753 25 HG21 ILE 4 1HG2 ILE 4 13.094 -9.722 -0.429 26 HG22 ILE 4 2HG2 ILE 4 13.900 -8.161 -0.290 27 HG23 ILE 4 3HG2 ILE 4 12.436 -8.482 0.638 28 HD11 ILE 4 3HD1 ILE 4 10.710 -10.102 -0.753 29 HD12 ILE 4 1HD1 ILE 4 9.878 -10.290 -2.297 30 HD13 ILE 4 2HD1 ILE 4 11.295 -11.275 -1.932 31 H ASP 5 H ASP 5 11.585 -5.082 -1.393 32 HA ASP 5 HA ASP 5 12.907 -4.350 0.923 33 HB2 ASP 5 2HB ASP 5 12.184 -3.099 -1.468 34 HB3 ASP 5 3HB ASP 5 11.465 -2.100 -0.207 35 H ASP 6 H ASP 6 9.487 -4.445 0.261 36 HA ASP 6 HA ASP 6 8.586 -2.804 2.361 37 HB2 ASP 6 2HB ASP 6 7.366 -4.078 0.308 38 HB3 ASP 6 3HB ASP 6 6.909 -5.134 1.641 39 H ALA 7 H ALA 7 9.557 -6.166 2.246 40 HA ALA 7 HA ALA 7 8.511 -6.947 4.756 41 HB1 ALA 7 1HB ALA 7 10.693 -8.052 3.012 42 HB2 ALA 7 2HB ALA 7 10.276 -8.776 4.565 43 HB3 ALA 7 3HB ALA 7 9.069 -8.686 3.282 44 H PHE 8 H PHE 8 11.760 -5.875 3.773 45 HA PHE 8 HA PHE 8 12.882 -6.003 6.365 46 HB2 PHE 8 2HB PHE 8 13.809 -4.180 4.146 47 HB3 PHE 8 3HB PHE 8 14.772 -4.879 5.444 48 HD1 PHE 8 HD2 PHE 8 13.900 -7.689 5.360 49 HD2 PHE 8 HD1 PHE 8 14.789 -4.976 2.203 50 HE1 PHE 8 HE2 PHE 8 14.489 -9.582 3.904 51 HE2 PHE 8 HE1 PHE 8 15.378 -6.865 0.741 52 HZ PHE 8 HZ PHE 8 15.230 -9.172 1.591 53 H ARG 9 H ARG 9 11.101 -3.537 4.643 54 HA ARG 9 HA ARG 9 11.705 -1.443 6.515 55 HB2 ARG 9 2HB ARG 9 9.622 -1.646 4.334 56 HB3 ARG 9 3HB ARG 9 9.924 -0.198 5.284 57 HG2 ARG 9 2HG ARG 9 12.026 0.136 4.327 58 HG3 ARG 9 3HG ARG 9 12.109 -1.518 3.718 59 HD2 ARG 9 2HD ARG 9 10.691 -1.082 1.953 60 HD3 ARG 9 3HD ARG 9 9.930 0.285 2.768 61 HE ARG 9 HE ARG 9 12.219 0.362 1.072 62 HH11 ARG 9 2HH1 ARG 9 10.737 1.863 3.842 63 HH12 ARG 9 1HH1 ARG 9 11.521 3.389 3.597 64 HH21 ARG 9 2HH2 ARG 9 13.256 2.366 0.739 65 HH22 ARG 9 1HH2 ARG 9 12.952 3.674 1.832 66 H ALA 10 H ALA 10 9.163 -3.810 6.076 67 HA ALA 10 HA ALA 10 7.375 -2.637 7.985 68 HB1 ALA 10 1HB ALA 10 6.428 -3.979 6.254 69 HB2 ALA 10 2HB ALA 10 7.442 -5.356 6.690 70 HB3 ALA 10 3HB ALA 10 6.168 -4.817 7.784 71 H ILE 11 H ILE 11 10.044 -4.847 8.110 72 HA ILE 11 HA ILE 11 9.572 -6.292 10.404 73 HB ILE 11 HB ILE 11 11.633 -6.282 8.813 74 HG12 ILE 11 2HG1 ILE 11 13.047 -7.149 10.852 75 HG13 ILE 11 3HG1 ILE 11 11.547 -6.910 11.741 76 HG21 ILE 11 1HG2 ILE 11 12.168 -3.886 9.592 77 HG22 ILE 11 2HG2 ILE 11 12.852 -4.663 11.019 78 HG23 ILE 11 3HG2 ILE 11 13.499 -5.030 9.420 79 HD11 ILE 11 3HD1 ILE 11 10.638 -8.293 9.616 80 HD12 ILE 11 1HD1 ILE 11 12.269 -8.949 9.759 81 HD13 ILE 11 2HD1 ILE 11 11.162 -9.030 11.130 82 H GLU 12 H GLU 12 10.336 -2.911 10.082 83 HA GLU 12 HA GLU 12 11.277 -2.303 12.618 84 HB2 GLU 12 2HB GLU 12 10.545 -0.862 10.377 85 HB3 GLU 12 3HB GLU 12 9.400 -0.314 11.593 86 HG2 GLU 12 2HG GLU 12 11.568 -0.093 13.060 87 HG3 GLU 12 3HG GLU 12 12.351 0.004 11.484 88 H ARG 13 H ARG 13 7.925 -2.532 11.481 89 HA ARG 13 HA ARG 13 6.702 -1.766 13.897 90 HB2 ARG 13 2HB ARG 13 5.847 -2.466 11.343 91 HB3 ARG 13 3HB ARG 13 5.154 -3.705 12.381 92 HG2 ARG 13 2HG ARG 13 3.507 -2.279 12.792 93 HG3 ARG 13 3HG ARG 13 4.666 -1.343 13.739 94 HD2 ARG 13 2HD ARG 13 4.220 0.332 12.329 95 HD3 ARG 13 3HD ARG 13 5.206 -0.554 11.167 96 HE ARG 13 HE ARG 13 2.742 -1.629 10.845 97 HH11 ARG 13 2HH1 ARG 13 3.959 1.632 10.838 98 HH12 ARG 13 1HH1 ARG 13 2.765 2.214 9.726 99 HH21 ARG 13 2HH2 ARG 13 1.165 -0.875 9.380 100 HH22 ARG 13 1HH2 ARG 13 1.175 0.787 8.898 101 H ALA 14 H ALA 14 8.022 -4.791 12.789 102 HA ALA 14 HA ALA 14 6.741 -6.489 14.662 103 HB1 ALA 14 1HB ALA 14 9.456 -7.122 13.605 104 HB2 ALA 14 2HB ALA 14 8.060 -8.176 13.833 105 HB3 ALA 14 3HB ALA 14 8.094 -7.036 12.487 106 H ILE 15 H ILE 15 9.963 -4.973 14.639 107 HA ILE 15 HA ILE 15 10.623 -5.921 17.257 108 HB ILE 15 HB ILE 15 12.374 -5.442 15.615 109 HG12 ILE 15 2HG1 ILE 15 13.279 -3.424 17.416 110 HG13 ILE 15 3HG1 ILE 15 12.311 -4.574 18.331 111 HG21 ILE 15 1HG2 ILE 15 12.941 -3.158 15.001 112 HG22 ILE 15 2HG2 ILE 15 11.290 -3.540 14.515 113 HG23 ILE 15 3HG2 ILE 15 11.582 -2.551 15.946 114 HD11 ILE 15 3HD1 ILE 15 14.858 -4.947 18.066 115 HD12 ILE 15 1HD1 ILE 15 13.756 -6.316 17.920 116 HD13 ILE 15 2HD1 ILE 15 14.422 -5.561 16.472 117 H GLN 16 H GLN 16 9.273 -2.966 15.928 118 HA GLN 16 HA GLN 16 9.567 -1.291 18.144 119 HB2 GLN 16 2HB GLN 16 7.749 -1.382 15.791 120 HB3 GLN 16 3HB GLN 16 7.286 -0.342 17.131 121 HG2 GLN 16 2HG GLN 16 10.011 -0.204 15.890 122 HG3 GLN 16 3HG GLN 16 8.639 0.693 15.242 123 HE21 GLN 16 1HE2 GLN 16 10.989 0.476 17.732 124 HE22 GLN 16 2HE2 GLN 16 10.579 1.939 18.554 125 H ALA 17 H ALA 17 7.412 -3.937 17.574 126 HA ALA 17 HA ALA 17 5.287 -3.387 19.247 127 HB1 ALA 17 1HB ALA 17 5.290 -5.338 17.845 128 HB2 ALA 17 2HB ALA 17 6.647 -6.027 18.736 129 HB3 ALA 17 3HB ALA 17 5.079 -5.844 19.521 130 H GLU 18 H GLU 18 8.559 -4.278 20.066 131 HA GLU 18 HA GLU 18 9.647 -4.545 22.051 132 HB2 GLU 18 2HB GLU 18 7.520 -2.548 22.814 133 HB3 GLU 18 3HB GLU 18 8.805 -3.033 23.911 134 HG2 GLU 18 2HG GLU 18 9.643 -2.134 21.230 135 HG3 GLU 18 3HG GLU 18 8.961 -0.908 22.297 136 H ASN 19 H ASN 19 8.059 -6.670 21.566 137 HA ASN 19 HA ASN 19 7.127 -8.490 22.562 138 HB2 ASN 19 2HB ASN 19 8.956 -7.778 24.302 139 HB3 ASN 19 3HB ASN 19 7.570 -7.296 25.276 140 HD21 ASN 19 1HD2 ASN 19 6.916 -8.776 26.640 141 HD22 ASN 19 2HD2 ASN 19 7.037 -10.487 26.432 142 H GLU 20 H GLU 20 5.008 -8.470 22.095 143 HA GLU 20 HA GLU 20 3.170 -7.531 24.113 144 HB2 GLU 20 2HB GLU 20 3.450 -6.190 21.462 145 HB3 GLU 20 3HB GLU 20 1.837 -6.377 22.137 146 HG2 GLU 20 2HG GLU 20 3.407 -5.400 24.228 147 HG3 GLU 20 3HG GLU 20 3.892 -4.485 22.802 148 H GLY 21 H GLY 21 3.609 -8.902 20.880 149 HA2 GLY 21 2HA GLY 21 2.614 -11.307 20.988 150 HA3 GLY 21 3HA GLY 21 1.113 -10.416 21.190 151 H ARG 22 H ARG 22 2.366 -8.297 19.351 152 HA ARG 22 HA ARG 22 1.241 -9.375 16.930 153 HB2 ARG 22 2HB ARG 22 2.505 -6.711 17.584 154 HB3 ARG 22 3HB ARG 22 1.859 -7.114 15.999 155 HG2 ARG 22 2HG ARG 22 -0.233 -6.715 16.640 156 HG3 ARG 22 3HG ARG 22 -0.038 -7.638 18.131 157 HD2 ARG 22 2HD ARG 22 0.564 -5.807 19.349 158 HD3 ARG 22 3HD ARG 22 1.302 -4.998 17.968 159 HE ARG 22 HE ARG 22 -1.399 -5.052 17.446 160 HH11 ARG 22 2HH1 ARG 22 0.667 -3.777 19.941 161 HH12 ARG 22 1HH1 ARG 22 -0.383 -2.450 20.313 162 HH21 ARG 22 2HH2 ARG 22 -2.789 -3.308 17.927 163 HH22 ARG 22 1HH2 ARG 22 -2.349 -2.185 19.168 164 H TYR 23 H TYR 23 4.400 -8.927 18.274 165 HA TYR 23 HA TYR 23 6.006 -8.819 16.025 166 HB2 TYR 23 2HB TYR 23 7.751 -9.900 17.428 167 HB3 TYR 23 3HB TYR 23 6.935 -8.573 18.247 168 HD1 TYR 23 HD2 TYR 23 7.264 -12.241 18.075 169 HD2 TYR 23 HD1 TYR 23 5.643 -8.945 20.223 170 HE1 TYR 23 HE2 TYR 23 6.736 -13.734 19.956 171 HE2 TYR 23 HE1 TYR 23 5.111 -10.430 22.110 172 HH TYR 23 HH TYR 23 5.554 -13.912 21.890 173 H ARG 24 H ARG 24 4.223 -11.500 17.345 174 HA ARG 24 HA ARG 24 5.589 -13.565 15.948 175 HB2 ARG 24 2HB ARG 24 4.305 -14.160 17.876 176 HB3 ARG 24 3HB ARG 24 2.852 -13.427 17.209 177 HG2 ARG 24 2HG ARG 24 4.060 -15.577 15.598 178 HG3 ARG 24 3HG ARG 24 3.363 -16.060 17.146 179 HD2 ARG 24 2HD ARG 24 1.376 -16.073 16.147 180 HD3 ARG 24 3HD ARG 24 1.498 -14.318 16.036 181 HE ARG 24 HE ARG 24 2.874 -15.300 13.865 182 HH11 ARG 24 2HH1 ARG 24 -0.375 -15.506 15.101 183 HH12 ARG 24 1HH1 ARG 24 -1.098 -15.678 13.536 184 HH21 ARG 24 2HH2 ARG 24 1.933 -15.526 11.799 185 HH22 ARG 24 1HH2 ARG 24 0.215 -15.690 11.659 186 H GLU 25 H GLU 25 2.595 -11.764 15.308 187 HA GLU 25 HA GLU 25 2.100 -13.101 12.825 188 HB2 GLU 25 2HB GLU 25 0.285 -11.522 12.545 189 HB3 GLU 25 3HB GLU 25 0.292 -12.121 14.197 190 HG2 GLU 25 2HG GLU 25 1.134 -10.102 15.043 191 HG3 GLU 25 3HG GLU 25 1.600 -9.531 13.442 192 H ALA 26 H ALA 26 3.897 -10.314 13.821 193 HA ALA 26 HA ALA 26 3.998 -8.916 11.380 194 HB1 ALA 26 1HB ALA 26 5.897 -7.752 12.303 195 HB2 ALA 26 2HB ALA 26 4.682 -7.975 13.561 196 HB3 ALA 26 3HB ALA 26 6.114 -9.004 13.526 197 H LEU 27 H LEU 27 5.931 -11.567 12.668 198 HA LEU 27 HA LEU 27 7.879 -11.520 10.586 199 HB2 LEU 27 2HB LEU 27 7.107 -13.560 12.652 200 HB3 LEU 27 3HB LEU 27 8.361 -13.868 11.451 201 HG LEU 27 HG LEU 27 8.404 -11.713 13.564 202 HD11 LEU 27 1HD1 LEU 27 8.903 -13.624 14.732 203 HD12 LEU 27 2HD1 LEU 27 10.504 -13.150 14.166 204 HD13 LEU 27 3HD1 LEU 27 9.618 -14.425 13.332 205 HD21 LEU 27 3HD2 LEU 27 10.765 -11.426 12.773 206 HD22 LEU 27 1HD2 LEU 27 9.530 -10.879 11.639 207 HD23 LEU 27 2HD2 LEU 27 10.349 -12.418 11.375 208 H LYS 28 H LYS 28 4.756 -12.995 10.995 209 HA LYS 28 HA LYS 28 4.833 -15.065 9.167 210 HB2 LYS 28 2HB LYS 28 2.917 -14.227 10.719 211 HB3 LYS 28 3HB LYS 28 2.442 -13.257 9.330 212 HG2 LYS 28 2HG LYS 28 2.883 -15.894 8.410 213 HG3 LYS 28 3HG LYS 28 1.895 -15.992 9.869 214 HD2 LYS 28 2HD LYS 28 0.413 -14.230 8.857 215 HD3 LYS 28 3HD LYS 28 1.325 -14.425 7.359 216 HE2 LYS 28 2HE LYS 28 0.547 -16.588 7.021 217 HE3 LYS 28 3HE LYS 28 0.111 -16.800 8.716 218 HZ1 LYS 28 3HZ LYS 28 -1.820 -15.596 8.461 219 HZ2 LYS 28 1HZ LYS 28 -1.732 -16.406 6.978 220 HZ3 LYS 28 2HZ LYS 28 -1.275 -14.781 7.082 221 H HIS 29 H HIS 29 4.351 -11.613 8.588 222 HA HIS 29 HA HIS 29 3.817 -11.858 5.809 223 HB2 HIS 29 2HB HIS 29 3.615 -9.828 7.616 224 HB3 HIS 29 3HB HIS 29 5.057 -9.345 6.727 225 HD1 HIS 29 HD1 HIS 29 1.638 -8.688 6.699 226 HD2 HIS 29 HD2 HIS 29 4.349 -9.694 3.715 227 HE1 HIS 29 HE1 HIS 29 0.586 -7.920 4.548 228 H PHE 30 H PHE 30 6.721 -11.729 7.706 229 HA PHE 30 HA PHE 30 8.510 -10.965 5.646 230 HB2 PHE 30 2HB PHE 30 8.786 -11.181 8.293 231 HB3 PHE 30 3HB PHE 30 9.454 -12.745 7.837 232 HD1 PHE 30 HD1 PHE 30 11.464 -12.866 6.421 233 HD2 PHE 30 HD2 PHE 30 9.965 -9.160 7.883 234 HE1 PHE 30 HE1 PHE 30 13.621 -11.796 5.911 235 HE2 PHE 30 HE2 PHE 30 12.119 -8.084 7.375 236 HZ PHE 30 HZ PHE 30 13.950 -9.402 6.387 237 H LEU 31 H LEU 31 7.541 -14.129 6.932 238 HA LEU 31 HA LEU 31 9.204 -15.678 5.273 239 HB2 LEU 31 2HB LEU 31 6.549 -16.409 6.500 240 HB3 LEU 31 3HB LEU 31 7.732 -17.543 5.852 241 HG LEU 31 HG LEU 31 8.469 -15.713 8.106 242 HD11 LEU 31 1HD1 LEU 31 6.710 -18.114 8.204 243 HD12 LEU 31 2HD1 LEU 31 6.651 -16.629 9.154 244 HD13 LEU 31 3HD1 LEU 31 7.873 -17.851 9.504 245 HD21 LEU 31 3HD2 LEU 31 10.384 -16.779 7.591 246 HD22 LEU 31 1HD2 LEU 31 9.553 -18.101 6.770 247 HD23 LEU 31 2HD2 LEU 31 9.674 -18.093 8.530 248 H ASP 32 H ASP 32 5.937 -14.427 4.847 249 HA ASP 32 HA ASP 32 5.416 -15.836 2.424 250 HB2 ASP 32 2HB ASP 32 3.993 -14.084 4.170 251 HB3 ASP 32 3HB ASP 32 3.876 -13.442 2.534 252 H GLY 33 H GLY 33 6.914 -12.781 3.223 253 HA2 GLY 33 2HA GLY 33 6.869 -11.785 0.518 254 HA3 GLY 33 3HA GLY 33 7.724 -11.076 1.880 255 H GLY 34 H GLY 34 9.046 -13.693 2.458 256 HA2 GLY 34 2HA GLY 34 11.352 -13.258 0.811 257 HA3 GLY 34 3HA GLY 34 11.172 -14.494 2.047 258 H GLU 35 H GLU 35 9.018 -15.922 1.128 259 HA GLU 35 HA GLU 35 10.192 -17.623 -0.762 260 HB2 GLU 35 2HB GLU 35 7.247 -17.401 -0.126 261 HB3 GLU 35 3HB GLU 35 8.075 -18.796 -0.803 262 HG2 GLU 35 2HG GLU 35 9.384 -18.136 1.609 263 HG3 GLU 35 3HG GLU 35 7.650 -18.114 1.925 264 H MET 36 H MET 36 8.497 -14.693 -1.166 265 HA MET 36 HA MET 36 7.347 -15.111 -3.709 266 HB2 MET 36 2HB MET 36 7.823 -12.866 -1.918 267 HB3 MET 36 3HB MET 36 8.011 -12.414 -3.607 268 HG2 MET 36 2HG MET 36 5.630 -14.021 -2.963 269 HG3 MET 36 3HG MET 36 5.670 -12.391 -2.295 270 HE1 MET 36 3HE MET 36 3.443 -11.274 -4.456 271 HE2 MET 36 1HE MET 36 4.498 -10.939 -3.083 272 HE3 MET 36 2HE MET 36 4.767 -10.120 -4.622 273 H ILE 37 H ILE 37 10.583 -14.356 -2.669 274 HA ILE 37 HA ILE 37 11.504 -13.549 -5.274 275 HB ILE 37 HB ILE 37 12.506 -12.824 -3.040 276 HG12 ILE 37 2HG1 ILE 37 14.341 -13.923 -5.181 277 HG13 ILE 37 3HG1 ILE 37 13.550 -12.351 -5.214 278 HG21 ILE 37 1HG2 ILE 37 14.336 -15.127 -3.136 279 HG22 ILE 37 2HG2 ILE 37 13.702 -14.235 -1.754 280 HG23 ILE 37 3HG2 ILE 37 12.712 -15.466 -2.538 281 HD11 ILE 37 3HD1 ILE 37 14.861 -12.254 -2.836 282 HD12 ILE 37 1HD1 ILE 37 15.964 -13.216 -3.819 283 HD13 ILE 37 2HD1 ILE 37 15.472 -11.611 -4.361 284 H VAL 38 H VAL 38 11.178 -16.516 -3.527 285 HA VAL 38 HA VAL 38 13.111 -18.081 -4.832 286 HB VAL 38 HB VAL 38 10.450 -18.948 -3.694 287 HG11 VAL 38 1HG1 VAL 38 12.479 -20.395 -5.126 288 HG12 VAL 38 2HG1 VAL 38 12.342 -21.000 -3.474 289 HG13 VAL 38 3HG1 VAL 38 10.921 -20.957 -4.519 290 HG21 VAL 38 3HG2 VAL 38 13.199 -18.788 -2.465 291 HG22 VAL 38 1HG2 VAL 38 11.774 -17.854 -2.012 292 HG23 VAL 38 2HG2 VAL 38 11.817 -19.593 -1.722 293 H THR 39 H THR 39 9.713 -17.440 -5.611 294 HA THR 39 HA THR 39 9.343 -19.175 -7.720 295 HB THR 39 HB THR 39 7.606 -17.646 -6.717 296 HG1 THR 39 HG1 THR 39 7.788 -17.623 -9.564 297 HG21 THR 39 3HG2 THR 39 8.227 -15.598 -8.761 298 HG22 THR 39 1HG2 THR 39 9.259 -15.620 -7.331 299 HG23 THR 39 2HG2 THR 39 7.515 -15.420 -7.157 300 H ALA 40 H ALA 40 11.167 -16.203 -7.624 301 HA ALA 40 HA ALA 40 11.411 -15.914 -10.462 302 HB1 ALA 40 1HB ALA 40 11.952 -14.323 -8.250 303 HB2 ALA 40 2HB ALA 40 13.532 -14.644 -8.966 304 HB3 ALA 40 3HB ALA 40 12.251 -13.923 -9.941 305 H ALA 41 H ALA 41 13.326 -17.404 -7.912 306 HA ALA 41 HA ALA 41 15.586 -17.952 -9.581 307 HB1 ALA 41 1HB ALA 41 16.353 -17.993 -7.468 308 HB2 ALA 41 2HB ALA 41 14.797 -18.489 -6.801 309 HB3 ALA 41 3HB ALA 41 15.868 -19.688 -7.526 310 H GLU 42 H GLU 42 12.853 -19.868 -8.369 311 HA GLU 42 HA GLU 42 13.604 -22.339 -9.424 312 HB2 GLU 42 2HB GLU 42 10.827 -21.220 -9.000 313 HB3 GLU 42 3HB GLU 42 11.195 -22.913 -9.297 314 HG2 GLU 42 2HG GLU 42 12.789 -22.504 -7.199 315 HG3 GLU 42 3HG GLU 42 11.558 -21.290 -6.857 316 H LYS 43 H LYS 43 11.364 -19.940 -10.820 317 HA LYS 43 HA LYS 43 10.979 -21.262 -13.262 318 HB2 LYS 43 2HB LYS 43 10.356 -18.658 -12.122 319 HB3 LYS 43 3HB LYS 43 10.722 -18.555 -13.839 320 HG2 LYS 43 2HG LYS 43 8.829 -19.597 -14.438 321 HG3 LYS 43 3HG LYS 43 8.907 -20.737 -13.092 322 HD2 LYS 43 2HD LYS 43 7.460 -19.529 -11.905 323 HD3 LYS 43 3HD LYS 43 8.418 -18.064 -12.133 324 HE2 LYS 43 2HE LYS 43 6.711 -19.080 -14.363 325 HE3 LYS 43 3HE LYS 43 5.968 -18.195 -13.032 326 HZ1 LYS 43 3HZ LYS 43 6.481 -16.435 -14.309 327 HZ2 LYS 43 1HZ LYS 43 7.711 -17.241 -15.147 328 HZ3 LYS 43 2HZ LYS 43 8.014 -16.597 -13.613 329 H GLU 44 H GLU 44 13.608 -19.364 -12.089 330 HA GLU 44 HA GLU 44 14.711 -18.939 -14.752 331 HB2 GLU 44 2HB GLU 44 15.458 -18.032 -11.993 332 HB3 GLU 44 3HB GLU 44 16.637 -17.948 -13.295 333 HG2 GLU 44 2HG GLU 44 13.934 -16.624 -13.275 334 HG3 GLU 44 3HG GLU 44 15.482 -15.829 -12.995 335 H ALA 45 H ALA 45 17.295 -19.269 -14.650 336 HA ALA 45 HA ALA 45 18.229 -21.582 -13.294 337 HB1 ALA 45 1HB ALA 45 16.978 -21.943 -15.936 338 HB2 ALA 45 2HB ALA 45 18.543 -22.728 -15.713 339 HB3 ALA 45 3HB ALA 45 17.209 -23.094 -14.618 340 H SER 46 H SER 46 18.572 -19.632 -16.242 341 HA SER 46 HA SER 46 21.472 -19.877 -16.112 342 HB2 SER 46 2HB SER 46 19.557 -18.733 -18.133 343 HB3 SER 46 3HB SER 46 21.284 -18.388 -18.221 344 HG SER 46 HG SER 46 21.056 -20.190 -19.410 345 H GLN 47 H GLN 47 20.525 -18.587 -13.904 346 HA GLN 47 HA GLN 47 21.348 -15.802 -14.393 347 HB2 GLN 47 2HB GLN 47 18.857 -16.376 -13.694 348 HB3 GLN 47 3HB GLN 47 19.570 -16.455 -12.088 349 HG2 GLN 47 2HG GLN 47 19.020 -14.270 -12.086 350 HG3 GLN 47 3HG GLN 47 20.593 -14.127 -12.868 351 HE21 GLN 47 1HE2 GLN 47 18.096 -12.503 -13.014 352 HE22 GLN 47 2HE2 GLN 47 17.744 -12.382 -14.701 353 H LYS 48 H LYS 48 22.967 -15.040 -13.167 354 HA LYS 48 HA LYS 48 24.362 -16.860 -11.434 355 HB2 LYS 48 2HB LYS 48 24.918 -13.939 -11.983 356 HB3 LYS 48 3HB LYS 48 26.023 -15.087 -11.239 357 HG2 LYS 48 2HG LYS 48 25.501 -16.360 -13.554 358 HG3 LYS 48 3HG LYS 48 25.334 -14.680 -14.068 359 HD2 LYS 48 2HD LYS 48 27.545 -14.159 -13.393 360 HD3 LYS 48 3HD LYS 48 27.708 -15.678 -12.509 361 HE2 LYS 48 2HE LYS 48 27.272 -16.743 -14.858 362 HE3 LYS 48 3HE LYS 48 27.795 -15.167 -15.451 363 HZ1 LYS 48 3HZ LYS 48 29.636 -15.898 -13.535 364 HZ2 LYS 48 1HZ LYS 48 29.862 -15.886 -15.212 365 HZ3 LYS 48 2HZ LYS 48 29.360 -17.303 -14.436 366 H VAL 49 H VAL 49 22.210 -14.145 -11.052 367 HA VAL 49 HA VAL 49 22.778 -13.740 -8.266 368 HB VAL 49 HB VAL 49 20.710 -12.324 -8.312 369 HG11 VAL 49 1HG1 VAL 49 23.143 -11.932 -9.909 370 HG12 VAL 49 2HG1 VAL 49 21.805 -10.855 -10.313 371 HG13 VAL 49 3HG1 VAL 49 22.425 -10.913 -8.662 372 HG21 VAL 49 3HG2 VAL 49 20.721 -12.934 -11.265 373 HG22 VAL 49 1HG2 VAL 49 19.574 -13.610 -10.109 374 HG23 VAL 49 2HG2 VAL 49 19.610 -11.872 -10.402 375 H ARG 50 H ARG 50 20.492 -15.609 -10.142 376 HA ARG 50 HA ARG 50 18.481 -16.178 -8.409 377 HB2 ARG 50 2HB ARG 50 18.467 -17.156 -10.588 378 HB3 ARG 50 3HB ARG 50 19.953 -18.042 -10.268 379 HG2 ARG 50 2HG ARG 50 17.995 -18.760 -8.317 380 HG3 ARG 50 3HG ARG 50 17.303 -18.915 -9.933 381 HD2 ARG 50 2HD ARG 50 18.286 -20.942 -9.875 382 HD3 ARG 50 3HD ARG 50 19.723 -20.031 -10.337 383 HE ARG 50 HE ARG 50 19.775 -19.948 -7.632 384 HH11 ARG 50 2HH1 ARG 50 19.492 -22.530 -9.950 385 HH12 ARG 50 1HH1 ARG 50 20.278 -23.698 -8.940 386 HH21 ARG 50 2HH2 ARG 50 20.811 -21.477 -6.293 387 HH22 ARG 50 1HH2 ARG 50 21.026 -23.098 -6.860 388 H ASN 51 H ASN 51 21.691 -17.693 -8.424 389 HA ASN 51 HA ASN 51 21.330 -19.572 -6.431 390 HB2 ASN 51 2HB ASN 51 23.370 -19.474 -7.751 391 HB3 ASN 51 3HB ASN 51 23.791 -17.920 -7.038 392 HD21 ASN 51 1HD2 ASN 51 25.561 -18.311 -5.895 393 HD22 ASN 51 2HD2 ASN 51 25.724 -19.537 -4.688 394 H LEU 52 H LEU 52 22.341 -16.181 -6.078 395 HA LEU 52 HA LEU 52 22.419 -16.301 -3.224 396 HB2 LEU 52 2HB LEU 52 23.678 -14.705 -4.774 397 HB3 LEU 52 3HB LEU 52 22.170 -13.798 -4.864 398 HG LEU 52 HG LEU 52 22.278 -13.570 -2.361 399 HD11 LEU 52 1HD1 LEU 52 23.704 -15.260 -1.639 400 HD12 LEU 52 2HD1 LEU 52 24.684 -13.802 -1.492 401 HD13 LEU 52 3HD1 LEU 52 24.922 -14.889 -2.860 402 HD21 LEU 52 3HD2 LEU 52 23.383 -11.604 -2.567 403 HD22 LEU 52 1HD2 LEU 52 23.265 -11.996 -4.283 404 HD23 LEU 52 2HD2 LEU 52 24.755 -12.334 -3.402 405 H LEU 53 H LEU 53 20.003 -15.525 -5.609 406 HA LEU 53 HA LEU 53 18.197 -14.079 -4.049 407 HB2 LEU 53 2HB LEU 53 18.064 -15.693 -6.514 408 HB3 LEU 53 3HB LEU 53 16.536 -15.450 -5.670 409 HG LEU 53 HG LEU 53 16.522 -13.173 -6.081 410 HD11 LEU 53 1HD1 LEU 53 19.477 -13.460 -6.187 411 HD12 LEU 53 2HD1 LEU 53 18.482 -12.277 -5.338 412 HD13 LEU 53 3HD1 LEU 53 18.732 -12.133 -7.078 413 HD21 LEU 53 3HD2 LEU 53 16.372 -14.602 -8.159 414 HD22 LEU 53 1HD2 LEU 53 18.045 -14.150 -8.484 415 HD23 LEU 53 2HD2 LEU 53 16.794 -12.908 -8.415 416 H LEU 54 H LEU 54 18.597 -17.570 -4.454 417 HA LEU 54 HA LEU 54 16.366 -18.228 -2.779 418 HB2 LEU 54 2HB LEU 54 18.672 -19.939 -3.697 419 HB3 LEU 54 3HB LEU 54 17.188 -20.524 -2.949 420 HG LEU 54 HG LEU 54 17.013 -18.962 -5.485 421 HD11 LEU 54 1HD1 LEU 54 17.306 -21.903 -5.689 422 HD12 LEU 54 2HD1 LEU 54 18.775 -20.949 -5.489 423 HD13 LEU 54 3HD1 LEU 54 17.701 -20.638 -6.853 424 HD21 LEU 54 3HD2 LEU 54 15.384 -20.915 -3.954 425 HD22 LEU 54 1HD2 LEU 54 15.231 -20.910 -5.711 426 HD23 LEU 54 2HD2 LEU 54 14.897 -19.442 -4.793 427 H HIS 55 H HIS 55 19.896 -18.279 -2.381 428 HA HIS 55 HA HIS 55 19.991 -19.279 0.218 429 HB2 HIS 55 2HB HIS 55 21.969 -19.014 -1.241 430 HB3 HIS 55 3HB HIS 55 21.864 -17.267 -1.048 431 HD1 HIS 55 HD1 HIS 55 22.931 -16.265 0.999 432 HD2 HIS 55 HD2 HIS 55 22.723 -20.411 1.161 433 HE1 HIS 55 HE1 HIS 55 24.293 -16.929 3.007 434 H LYS 56 H LYS 56 19.905 -15.894 -0.876 435 HA LYS 56 HA LYS 56 19.855 -14.775 1.722 436 HB2 LYS 56 2HB LYS 56 19.239 -13.758 -1.026 437 HB3 LYS 56 3HB LYS 56 18.817 -12.778 0.372 438 HG2 LYS 56 2HG LYS 56 21.225 -13.018 1.103 439 HG3 LYS 56 3HG LYS 56 21.544 -13.688 -0.499 440 HD2 LYS 56 2HD LYS 56 20.338 -10.975 0.049 441 HD3 LYS 56 3HD LYS 56 22.025 -11.274 -0.375 442 HE2 LYS 56 2HE LYS 56 21.444 -11.113 -2.514 443 HE3 LYS 56 3HE LYS 56 20.518 -12.601 -2.321 444 HZ1 LYS 56 3HZ LYS 56 18.815 -10.798 -1.336 445 HZ2 LYS 56 1HZ LYS 56 18.822 -11.299 -2.952 446 HZ3 LYS 56 2HZ LYS 56 19.596 -9.862 -2.509 447 H GLY 57 H GLY 57 17.438 -16.242 -0.237 448 HA2 GLY 57 2HA GLY 57 15.144 -14.955 0.806 449 HA3 GLY 57 3HA GLY 57 15.176 -16.533 0.034 450 H LYS 58 H LYS 58 16.615 -18.089 1.656 451 HA LYS 58 HA LYS 58 14.850 -18.460 3.885 452 HB2 LYS 58 2HB LYS 58 15.912 -20.520 4.205 453 HB3 LYS 58 3HB LYS 58 16.012 -20.269 2.467 454 HG2 LYS 58 2HG LYS 58 18.288 -19.259 4.041 455 HG3 LYS 58 3HG LYS 58 18.090 -21.013 3.997 456 HD2 LYS 58 2HD LYS 58 18.114 -19.273 1.536 457 HD3 LYS 58 3HD LYS 58 19.553 -20.058 2.192 458 HE2 LYS 58 2HE LYS 58 18.845 -22.154 1.599 459 HE3 LYS 58 3HE LYS 58 17.138 -21.722 1.689 460 HZ1 LYS 58 3HZ LYS 58 19.016 -20.866 -0.447 461 HZ2 LYS 58 1HZ LYS 58 17.370 -20.484 -0.364 462 HZ3 LYS 58 2HZ LYS 58 17.856 -22.088 -0.593 463 H GLU 59 H GLU 59 17.814 -16.828 3.381 464 HA GLU 59 HA GLU 59 18.789 -16.984 6.067 465 HB2 GLU 59 2HB GLU 59 19.506 -15.386 3.638 466 HB3 GLU 59 3HB GLU 59 20.148 -14.913 5.205 467 HG2 GLU 59 2HG GLU 59 20.417 -17.745 4.330 468 HG3 GLU 59 3HG GLU 59 21.478 -16.522 3.632 469 H VAL 60 H VAL 60 17.476 -14.250 4.184 470 HA VAL 60 HA VAL 60 17.232 -12.417 6.225 471 HB VAL 60 HB VAL 60 15.435 -11.354 4.911 472 HG11 VAL 60 1HG1 VAL 60 17.988 -12.252 3.696 473 HG12 VAL 60 2HG1 VAL 60 16.820 -11.444 2.649 474 HG13 VAL 60 3HG1 VAL 60 17.430 -10.626 4.088 475 HG21 VAL 60 3HG2 VAL 60 14.098 -13.044 4.065 476 HG22 VAL 60 1HG2 VAL 60 14.997 -12.531 2.637 477 HG23 VAL 60 2HG2 VAL 60 15.474 -13.992 3.502 478 H LEU 61 H LEU 61 15.191 -15.154 5.485 479 HA LEU 61 HA LEU 61 12.965 -14.407 7.066 480 HB2 LEU 61 2HB LEU 61 13.913 -16.815 5.681 481 HB3 LEU 61 3HB LEU 61 12.903 -17.127 7.091 482 HG LEU 61 HG LEU 61 11.140 -15.703 6.084 483 HD11 LEU 61 1HD1 LEU 61 12.276 -15.838 3.399 484 HD12 LEU 61 2HD1 LEU 61 13.143 -14.752 4.484 485 HD13 LEU 61 3HD1 LEU 61 11.416 -14.526 4.206 486 HD21 LEU 61 3HD2 LEU 61 11.937 -17.860 4.153 487 HD22 LEU 61 1HD2 LEU 61 10.319 -17.367 4.654 488 HD23 LEU 61 2HD2 LEU 61 11.367 -18.229 5.782 489 H GLU 62 H GLU 62 15.646 -16.667 7.720 490 HA GLU 62 HA GLU 62 14.907 -17.123 10.418 491 HB2 GLU 62 2HB GLU 62 17.134 -18.151 10.637 492 HB3 GLU 62 3HB GLU 62 16.288 -18.715 9.203 493 HG2 GLU 62 2HG GLU 62 17.619 -17.322 7.788 494 HG3 GLU 62 3HG GLU 62 18.362 -16.538 9.181 495 H TRP 63 H TRP 63 16.940 -14.758 8.834 496 HA TRP 63 HA TRP 63 18.251 -13.802 11.160 497 HB2 TRP 63 2HB TRP 63 18.576 -13.384 8.495 498 HB3 TRP 63 3HB TRP 63 17.792 -11.879 8.966 499 HD1 TRP 63 HD1 TRP 63 20.927 -13.967 9.843 500 HE1 TRP 63 HE1 TRP 63 22.740 -12.359 10.710 501 HE3 TRP 63 HE3 TRP 63 18.215 -9.634 9.884 502 HZ2 TRP 63 HZ2 TRP 63 22.987 -9.616 11.330 503 HZ3 TRP 63 HZ3 TRP 63 19.313 -7.562 10.629 504 HH2 TRP 63 HH2 TRP 63 21.650 -7.555 11.337 505 H ALA 64 H ALA 64 15.373 -12.707 9.393 506 HA ALA 64 HA ALA 64 14.798 -10.430 10.880 507 HB1 ALA 64 1HB ALA 64 13.409 -10.481 9.107 508 HB2 ALA 64 2HB ALA 64 13.277 -12.240 9.123 509 HB3 ALA 64 3HB ALA 64 12.318 -11.274 10.244 510 H GLU 65 H GLU 65 14.269 -13.802 11.622 511 HA GLU 65 HA GLU 65 12.478 -13.329 13.808 512 HB2 GLU 65 2HB GLU 65 14.078 -15.753 12.981 513 HB3 GLU 65 3HB GLU 65 12.974 -15.741 14.349 514 HG2 GLU 65 2HG GLU 65 11.357 -14.788 12.415 515 HG3 GLU 65 3HG GLU 65 12.417 -15.829 11.467 516 H HIS 66 H HIS 66 15.893 -13.305 13.386 517 HA HIS 66 HA HIS 66 16.706 -13.899 16.021 518 HB2 HIS 66 2HB HIS 66 17.970 -13.280 13.612 519 HB3 HIS 66 3HB HIS 66 18.432 -11.973 14.699 520 HD1 HIS 66 HD1 HIS 66 20.150 -12.492 16.467 521 HD2 HIS 66 HD2 HIS 66 18.778 -15.890 14.509 522 HE1 HIS 66 HE1 HIS 66 21.650 -14.360 17.232 523 H LEU 67 H LEU 67 16.266 -10.760 14.389 524 HA LEU 67 HA LEU 67 16.693 -9.238 16.753 525 HB2 LEU 67 2HB LEU 67 16.130 -7.345 15.468 526 HB3 LEU 67 3HB LEU 67 16.987 -8.442 14.388 527 HG LEU 67 HG LEU 67 14.449 -9.152 13.843 528 HD11 LEU 67 1HD1 LEU 67 13.824 -7.214 15.487 529 HD12 LEU 67 2HD1 LEU 67 12.919 -7.449 13.992 530 HD13 LEU 67 3HD1 LEU 67 14.156 -6.196 14.085 531 HD21 LEU 67 3HD2 LEU 67 16.297 -7.127 12.677 532 HD22 LEU 67 1HD2 LEU 67 14.675 -7.292 12.005 533 HD23 LEU 67 2HD2 LEU 67 15.766 -8.678 12.027 534 H ALA 68 H ALA 68 13.843 -10.507 15.130 535 HA ALA 68 HA ALA 68 11.899 -9.094 16.600 536 HB1 ALA 68 1HB ALA 68 11.841 -11.671 15.066 537 HB2 ALA 68 2HB ALA 68 10.422 -11.076 15.928 538 HB3 ALA 68 3HB ALA 68 11.139 -10.110 14.639 539 H GLU 69 H GLU 69 13.834 -11.875 17.352 540 HA GLU 69 HA GLU 69 12.187 -12.742 19.552 541 HB2 GLU 69 2HB GLU 69 14.872 -13.556 18.479 542 HB3 GLU 69 3HB GLU 69 14.318 -14.141 20.042 543 HG2 GLU 69 2HG GLU 69 12.288 -14.466 18.016 544 HG3 GLU 69 3HG GLU 69 13.797 -15.254 17.558 545 H TRP 70 H TRP 70 14.763 -10.507 19.062 546 HA TRP 70 HA TRP 70 16.044 -10.372 21.477 547 HB2 TRP 70 2HB TRP 70 16.321 -8.920 19.344 548 HB3 TRP 70 3HB TRP 70 15.150 -7.849 20.110 549 HD1 TRP 70 HD1 TRP 70 15.927 -6.669 22.440 550 HE1 TRP 70 HE1 TRP 70 18.275 -6.057 23.298 551 HE3 TRP 70 HE3 TRP 70 18.719 -9.632 19.348 552 HZ2 TRP 70 HZ2 TRP 70 20.956 -6.741 22.739 553 HZ3 TRP 70 HZ3 TRP 70 21.169 -9.594 19.574 554 HH2 TRP 70 HH2 TRP 70 22.262 -8.178 21.234 555 H ILE 71 H ILE 71 13.021 -8.691 20.625 556 HA ILE 71 HA ILE 71 12.527 -7.394 23.002 557 HB ILE 71 HB ILE 71 10.069 -7.703 22.452 558 HG12 ILE 71 2HG1 ILE 71 10.439 -8.540 19.752 559 HG13 ILE 71 3HG1 ILE 71 11.169 -9.751 20.799 560 HG21 ILE 71 1HG2 ILE 71 11.574 -6.726 20.059 561 HG22 ILE 71 2HG2 ILE 71 10.139 -6.051 20.829 562 HG23 ILE 71 3HG2 ILE 71 11.714 -5.891 21.606 563 HD11 ILE 71 3HD1 ILE 71 8.338 -8.987 20.462 564 HD12 ILE 71 1HD1 ILE 71 9.066 -10.568 20.744 565 HD13 ILE 71 2HD1 ILE 71 8.862 -9.439 22.084 566 H LEU 72 H LEU 72 12.019 -10.778 22.206 567 HA LEU 72 HA LEU 72 10.507 -11.444 24.509 568 HB2 LEU 72 2HB LEU 72 12.287 -13.274 22.912 569 HB3 LEU 72 3HB LEU 72 10.918 -13.731 23.924 570 HG LEU 72 HG LEU 72 10.601 -12.034 21.460 571 HD11 LEU 72 1HD1 LEU 72 10.146 -13.967 20.173 572 HD12 LEU 72 2HD1 LEU 72 10.234 -15.016 21.587 573 HD13 LEU 72 3HD1 LEU 72 11.695 -14.248 20.968 574 HD21 LEU 72 3HD2 LEU 72 8.442 -12.036 21.983 575 HD22 LEU 72 1HD2 LEU 72 8.874 -12.763 23.531 576 HD23 LEU 72 2HD2 LEU 72 8.433 -13.791 22.167 577 H GLU 73 H GLU 73 13.961 -11.808 23.732 578 HA GLU 73 HA GLU 73 14.757 -12.958 26.150 579 HB2 GLU 73 2HB GLU 73 16.012 -12.207 23.813 580 HB3 GLU 73 3HB GLU 73 16.722 -11.121 24.999 581 HG2 GLU 73 2HG GLU 73 17.215 -13.147 26.401 582 HG3 GLU 73 3HG GLU 73 16.734 -14.125 25.015 583 H HIS 74 H HIS 74 14.106 -9.640 25.293 584 HA HIS 74 HA HIS 74 14.103 -7.698 26.484 585 HB2 HIS 74 2HB HIS 74 12.953 -9.744 28.121 586 HB3 HIS 74 3HB HIS 74 13.849 -8.633 29.153 587 HD1 HIS 74 HD1 HIS 74 11.000 -8.686 26.683 588 HD2 HIS 74 HD2 HIS 74 12.655 -6.187 29.559 589 HE1 HIS 74 HE1 HIS 74 9.362 -6.797 26.955 Start of MODEL 6 1 H1 MET 1 H MET 1 4.438 -1.150 -5.698 2 HA MET 1 HA MET 1 5.240 -1.492 -2.993 3 HB2 MET 1 2HB MET 1 2.293 -1.698 -3.619 4 HB3 MET 1 3HB MET 1 3.034 -2.390 -2.182 5 HG2 MET 1 2HG MET 1 2.544 -0.454 -1.208 6 HG3 MET 1 3HG MET 1 3.922 0.189 -2.099 7 HE1 MET 1 3HE MET 1 1.694 3.197 -2.598 8 HE2 MET 1 1HE MET 1 2.694 2.361 -1.409 9 HE3 MET 1 2HE MET 1 3.343 2.724 -3.009 10 H GLY 2 H GLY 2 6.587 -2.911 -4.305 11 HA2 GLY 2 2HA GLY 2 5.786 -5.601 -4.149 12 HA3 GLY 2 3HA GLY 2 5.599 -5.062 -5.812 13 H THR 3 H THR 3 8.007 -4.872 -3.188 14 HA THR 3 HA THR 3 10.023 -5.994 -4.941 15 HB THR 3 HB THR 3 10.239 -3.663 -5.538 16 HG1 THR 3 HG1 THR 3 12.425 -3.365 -4.843 17 HG21 THR 3 3HG2 THR 3 10.599 -1.906 -3.959 18 HG22 THR 3 1HG2 THR 3 10.703 -3.050 -2.621 19 HG23 THR 3 2HG2 THR 3 9.163 -2.790 -3.441 20 H ILE 4 H ILE 4 11.845 -6.780 -3.839 21 HA ILE 4 HA ILE 4 11.452 -7.843 -1.326 22 HB ILE 4 HB ILE 4 14.099 -7.162 -2.611 23 HG12 ILE 4 2HG1 ILE 4 12.750 -8.598 -4.033 24 HG13 ILE 4 3HG1 ILE 4 14.059 -9.538 -3.325 25 HG21 ILE 4 1HG2 ILE 4 15.024 -8.910 -1.160 26 HG22 ILE 4 2HG2 ILE 4 14.350 -7.573 -0.230 27 HG23 ILE 4 3HG2 ILE 4 13.453 -9.084 -0.380 28 HD11 ILE 4 3HD1 ILE 4 12.507 -10.447 -1.675 29 HD12 ILE 4 1HD1 ILE 4 11.198 -9.511 -2.396 30 HD13 ILE 4 2HD1 ILE 4 11.985 -10.788 -3.325 31 H ASP 5 H ASP 5 12.993 -4.791 -2.209 32 HA ASP 5 HA ASP 5 14.081 -4.054 0.224 33 HB2 ASP 5 2HB ASP 5 13.151 -2.639 -2.187 34 HB3 ASP 5 3HB ASP 5 13.183 -1.658 -0.725 35 H ASP 6 H ASP 6 10.748 -4.084 -0.792 36 HA ASP 6 HA ASP 6 9.680 -2.400 1.200 37 HB2 ASP 6 2HB ASP 6 8.489 -3.172 -0.875 38 HB3 ASP 6 3HB ASP 6 8.294 -4.746 -0.108 39 H ALA 7 H ALA 7 10.535 -5.797 1.173 40 HA ALA 7 HA ALA 7 9.198 -6.565 3.534 41 HB1 ALA 7 1HB ALA 7 11.689 -7.716 2.283 42 HB2 ALA 7 2HB ALA 7 10.721 -8.491 3.538 43 HB3 ALA 7 3HB ALA 7 10.027 -8.200 1.942 44 H PHE 8 H PHE 8 12.531 -5.466 2.965 45 HA PHE 8 HA PHE 8 13.406 -5.679 5.628 46 HB2 PHE 8 2HB PHE 8 14.401 -3.681 3.592 47 HB3 PHE 8 3HB PHE 8 15.286 -4.341 4.963 48 HD1 PHE 8 HD2 PHE 8 14.679 -7.204 4.736 49 HD2 PHE 8 HD1 PHE 8 15.609 -4.338 1.730 50 HE1 PHE 8 HE2 PHE 8 15.560 -8.999 3.302 51 HE2 PHE 8 HE1 PHE 8 16.491 -6.128 0.291 52 HZ PHE 8 HZ PHE 8 16.468 -8.462 1.077 53 H ARG 9 H ARG 9 11.647 -3.182 3.927 54 HA ARG 9 HA ARG 9 11.963 -1.209 5.993 55 HB2 ARG 9 2HB ARG 9 10.021 -1.312 3.677 56 HB3 ARG 9 3HB ARG 9 10.325 0.088 4.697 57 HG2 ARG 9 2HG ARG 9 12.442 0.436 3.808 58 HG3 ARG 9 3HG ARG 9 12.550 -1.209 3.177 59 HD2 ARG 9 2HD ARG 9 12.129 -0.016 1.255 60 HD3 ARG 9 3HD ARG 9 10.498 -0.484 1.737 61 HE ARG 9 HE ARG 9 10.012 1.726 1.985 62 HH11 ARG 9 2HH1 ARG 9 13.464 1.326 2.203 63 HH12 ARG 9 1HH1 ARG 9 13.786 3.026 2.305 64 HH21 ARG 9 2HH2 ARG 9 10.423 3.966 2.120 65 HH22 ARG 9 1HH2 ARG 9 12.055 4.526 2.259 66 H ALA 10 H ALA 10 9.597 -3.648 5.140 67 HA ALA 10 HA ALA 10 7.588 -2.716 6.959 68 HB1 ALA 10 1HB ALA 10 7.335 -5.509 6.284 69 HB2 ALA 10 2HB ALA 10 6.289 -4.151 5.867 70 HB3 ALA 10 3HB ALA 10 7.680 -4.537 4.854 71 H ILE 11 H ILE 11 10.350 -4.801 7.165 72 HA ILE 11 HA ILE 11 9.750 -6.447 9.288 73 HB ILE 11 HB ILE 11 11.942 -6.213 7.899 74 HG12 ILE 11 2HG1 ILE 11 13.215 -7.320 9.799 75 HG13 ILE 11 3HG1 ILE 11 11.816 -6.989 10.814 76 HG21 ILE 11 1HG2 ILE 11 12.285 -3.872 8.911 77 HG22 ILE 11 2HG2 ILE 11 12.870 -4.735 10.333 78 HG23 ILE 11 3HG2 ILE 11 13.681 -4.941 8.781 79 HD11 ILE 11 3HD1 ILE 11 12.127 -8.919 8.579 80 HD12 ILE 11 1HD1 ILE 11 11.375 -9.128 10.161 81 HD13 ILE 11 2HD1 ILE 11 10.534 -8.232 8.895 82 H GLU 12 H GLU 12 10.366 -3.022 9.296 83 HA GLU 12 HA GLU 12 11.035 -2.593 11.958 84 HB2 GLU 12 2HB GLU 12 10.571 -0.989 9.796 85 HB3 GLU 12 3HB GLU 12 9.187 -0.611 10.812 86 HG2 GLU 12 2HG GLU 12 10.778 -0.162 12.680 87 HG3 GLU 12 3HG GLU 12 12.096 -0.351 11.525 88 H ARG 13 H ARG 13 7.950 -3.317 10.498 89 HA ARG 13 HA ARG 13 6.303 -2.542 12.664 90 HB2 ARG 13 2HB ARG 13 5.872 -3.449 10.105 91 HB3 ARG 13 3HB ARG 13 5.339 -4.812 11.080 92 HG2 ARG 13 2HG ARG 13 3.429 -3.498 10.725 93 HG3 ARG 13 3HG ARG 13 3.934 -3.158 12.381 94 HD2 ARG 13 2HD ARG 13 4.661 -1.036 11.866 95 HD3 ARG 13 3HD ARG 13 4.947 -1.432 10.172 96 HE ARG 13 HE ARG 13 2.174 -1.498 10.952 97 HH11 ARG 13 2HH1 ARG 13 4.789 0.469 9.762 98 HH12 ARG 13 1HH1 ARG 13 3.745 1.645 9.033 99 HH21 ARG 13 2HH2 ARG 13 0.790 0.043 9.997 100 HH22 ARG 13 1HH2 ARG 13 1.471 1.402 9.168 101 H ALA 14 H ALA 14 8.047 -5.490 11.897 102 HA ALA 14 HA ALA 14 6.833 -7.201 13.763 103 HB1 ALA 14 1HB ALA 14 8.131 -8.588 12.611 104 HB2 ALA 14 2HB ALA 14 9.132 -7.259 12.023 105 HB3 ALA 14 3HB ALA 14 9.491 -8.015 13.576 106 H ILE 15 H ILE 15 9.814 -5.267 14.036 107 HA ILE 15 HA ILE 15 10.199 -5.924 16.791 108 HB ILE 15 HB ILE 15 12.077 -5.303 15.318 109 HG12 ILE 15 2HG1 ILE 15 12.586 -3.168 17.089 110 HG13 ILE 15 3HG1 ILE 15 11.537 -4.282 17.959 111 HG21 ILE 15 1HG2 ILE 15 12.439 -2.978 14.691 112 HG22 ILE 15 2HG2 ILE 15 10.930 -3.584 14.010 113 HG23 ILE 15 3HG2 ILE 15 10.899 -2.529 15.423 114 HD11 ILE 15 3HD1 ILE 15 13.129 -6.111 17.343 115 HD12 ILE 15 1HD1 ILE 15 14.214 -4.864 16.728 116 HD13 ILE 15 2HD1 ILE 15 13.774 -4.887 18.436 117 H GLN 16 H GLN 16 8.652 -3.309 15.045 118 HA GLN 16 HA GLN 16 8.406 -1.488 17.178 119 HB2 GLN 16 2HB GLN 16 7.015 -1.880 14.564 120 HB3 GLN 16 3HB GLN 16 6.308 -0.779 15.739 121 HG2 GLN 16 2HG GLN 16 9.192 -0.490 15.092 122 HG3 GLN 16 3HG GLN 16 8.003 0.052 13.909 123 HE21 GLN 16 1HE2 GLN 16 9.962 1.305 15.973 124 HE22 GLN 16 2HE2 GLN 16 9.012 2.565 16.676 125 H ALA 17 H ALA 17 6.760 -4.418 16.451 126 HA ALA 17 HA ALA 17 4.269 -4.117 17.558 127 HB1 ALA 17 1HB ALA 17 5.849 -6.577 18.179 128 HB2 ALA 17 2HB ALA 17 4.155 -6.420 17.710 129 HB3 ALA 17 3HB ALA 17 5.427 -6.192 16.510 130 H GLU 18 H GLU 18 7.195 -5.149 19.324 131 HA GLU 18 HA GLU 18 7.723 -5.114 21.539 132 HB2 GLU 18 2HB GLU 18 5.952 -2.665 21.601 133 HB3 GLU 18 3HB GLU 18 7.231 -3.068 22.739 134 HG2 GLU 18 2HG GLU 18 8.547 -3.090 20.339 135 HG3 GLU 18 3HG GLU 18 7.378 -1.787 20.128 136 H ASN 19 H ASN 19 6.328 -7.088 21.637 137 HA ASN 19 HA ASN 19 4.503 -6.834 23.852 138 HB2 ASN 19 2HB ASN 19 3.309 -6.558 21.445 139 HB3 ASN 19 3HB ASN 19 3.270 -8.312 21.599 140 HD21 ASN 19 1HD2 ASN 19 1.706 -5.474 22.325 141 HD22 ASN 19 2HD2 ASN 19 0.635 -6.060 23.548 142 H GLU 20 H GLU 20 3.309 -9.289 23.813 143 HA GLU 20 HA GLU 20 5.522 -11.207 23.552 144 HB2 GLU 20 2HB GLU 20 4.607 -12.256 25.704 145 HB3 GLU 20 3HB GLU 20 5.552 -10.781 25.859 146 HG2 GLU 20 2HG GLU 20 3.649 -9.475 26.280 147 HG3 GLU 20 3HG GLU 20 2.557 -10.743 25.725 148 H GLY 21 H GLY 21 4.140 -11.481 21.525 149 HA2 GLY 21 2HA GLY 21 3.008 -13.882 21.290 150 HA3 GLY 21 3HA GLY 21 1.667 -12.958 21.949 151 H ARG 22 H ARG 22 2.461 -10.504 20.549 152 HA ARG 22 HA ARG 22 1.116 -11.063 18.062 153 HB2 ARG 22 2HB ARG 22 2.275 -8.460 19.073 154 HB3 ARG 22 3HB ARG 22 1.159 -8.648 17.727 155 HG2 ARG 22 2HG ARG 22 -0.638 -9.090 19.102 156 HG3 ARG 22 3HG ARG 22 0.385 -9.617 20.441 157 HD2 ARG 22 2HD ARG 22 0.092 -7.585 21.306 158 HD3 ARG 22 3HD ARG 22 1.141 -6.989 20.020 159 HE ARG 22 HE ARG 22 -1.635 -7.216 19.280 160 HH11 ARG 22 2HH1 ARG 22 0.822 -5.179 20.670 161 HH12 ARG 22 1HH1 ARG 22 -0.010 -3.704 20.306 162 HH21 ARG 22 2HH2 ARG 22 -2.741 -5.281 18.795 163 HH22 ARG 22 1HH2 ARG 22 -2.037 -3.763 19.240 164 H TYR 23 H TYR 23 4.368 -10.592 19.136 165 HA TYR 23 HA TYR 23 5.655 -9.677 16.876 166 HB2 TYR 23 2HB TYR 23 6.400 -11.150 19.273 167 HB3 TYR 23 3HB TYR 23 7.384 -11.606 17.887 168 HD1 TYR 23 HD2 TYR 23 6.423 -8.838 20.109 169 HD2 TYR 23 HD1 TYR 23 8.957 -10.067 16.920 170 HE1 TYR 23 HE2 TYR 23 7.788 -6.816 20.422 171 HE2 TYR 23 HE1 TYR 23 10.329 -8.049 17.225 172 HH TYR 23 HH TYR 23 9.377 -5.495 19.428 173 H ARG 24 H ARG 24 4.278 -12.813 17.499 174 HA ARG 24 HA ARG 24 5.598 -14.165 15.353 175 HB2 ARG 24 2HB ARG 24 4.158 -16.008 15.837 176 HB3 ARG 24 3HB ARG 24 4.612 -15.284 17.374 177 HG2 ARG 24 2HG ARG 24 2.399 -15.518 17.760 178 HG3 ARG 24 3HG ARG 24 2.348 -13.948 16.955 179 HD2 ARG 24 2HD ARG 24 1.300 -14.773 15.145 180 HD3 ARG 24 3HD ARG 24 2.261 -16.251 15.143 181 HE ARG 24 HE ARG 24 -0.344 -15.931 16.209 182 HH11 ARG 24 2HH1 ARG 24 2.686 -17.544 16.790 183 HH12 ARG 24 1HH1 ARG 24 1.968 -18.863 17.654 184 HH21 ARG 24 2HH2 ARG 24 -1.302 -17.662 17.345 185 HH22 ARG 24 1HH2 ARG 24 -0.301 -18.929 17.968 186 H GLU 25 H GLU 25 2.537 -12.471 15.740 187 HA GLU 25 HA GLU 25 1.531 -13.225 13.162 188 HB2 GLU 25 2HB GLU 25 -0.390 -12.166 13.769 189 HB3 GLU 25 3HB GLU 25 0.310 -12.351 15.371 190 HG2 GLU 25 2HG GLU 25 -0.287 -10.154 15.429 191 HG3 GLU 25 3HG GLU 25 1.369 -10.016 14.843 192 H ALA 26 H ALA 26 3.542 -10.701 14.408 193 HA ALA 26 HA ALA 26 3.180 -8.891 12.213 194 HB1 ALA 26 1HB ALA 26 3.951 -8.323 14.585 195 HB2 ALA 26 2HB ALA 26 5.539 -8.891 14.067 196 HB3 ALA 26 3HB ALA 26 4.778 -7.530 13.244 197 H LEU 27 H LEU 27 5.775 -11.125 13.191 198 HA LEU 27 HA LEU 27 7.502 -10.663 11.054 199 HB2 LEU 27 2HB LEU 27 7.056 -12.896 12.958 200 HB3 LEU 27 3HB LEU 27 8.046 -13.219 11.536 201 HG LEU 27 HG LEU 27 8.592 -11.103 13.619 202 HD11 LEU 27 1HD1 LEU 27 9.454 -12.784 14.791 203 HD12 LEU 27 2HD1 LEU 27 10.684 -12.917 13.535 204 HD13 LEU 27 3HD1 LEU 27 9.236 -13.921 13.460 205 HD21 LEU 27 3HD2 LEU 27 10.046 -11.923 11.115 206 HD22 LEU 27 1HD2 LEU 27 10.812 -11.020 12.422 207 HD23 LEU 27 2HD2 LEU 27 9.444 -10.324 11.553 208 H LYS 28 H LYS 28 4.574 -12.531 11.236 209 HA LYS 28 HA LYS 28 4.819 -14.266 9.110 210 HB2 LYS 28 2HB LYS 28 2.780 -13.497 10.778 211 HB3 LYS 28 3HB LYS 28 2.215 -12.913 9.218 212 HG2 LYS 28 2HG LYS 28 2.097 -15.039 8.316 213 HG3 LYS 28 3HG LYS 28 3.220 -15.712 9.500 214 HD2 LYS 28 2HD LYS 28 1.529 -15.438 11.252 215 HD3 LYS 28 3HD LYS 28 0.408 -14.770 10.064 216 HE2 LYS 28 2HE LYS 28 1.543 -17.348 9.289 217 HE3 LYS 28 3HE LYS 28 0.600 -17.412 10.778 218 HZ1 LYS 28 3HZ LYS 28 -0.270 -16.825 8.051 219 HZ2 LYS 28 1HZ LYS 28 -1.059 -16.015 9.310 220 HZ3 LYS 28 2HZ LYS 28 -1.048 -17.706 9.267 221 H HIS 29 H HIS 29 4.344 -10.808 9.073 222 HA HIS 29 HA HIS 29 3.544 -10.550 6.373 223 HB2 HIS 29 2HB HIS 29 3.714 -8.832 8.463 224 HB3 HIS 29 3HB HIS 29 5.138 -8.352 7.544 225 HD1 HIS 29 HD1 HIS 29 2.029 -7.086 7.959 226 HD2 HIS 29 HD2 HIS 29 3.988 -8.394 4.536 227 HE1 HIS 29 HE1 HIS 29 0.876 -5.935 6.043 228 H PHE 30 H PHE 30 6.708 -10.492 7.955 229 HA PHE 30 HA PHE 30 8.191 -9.849 5.628 230 HB2 PHE 30 2HB PHE 30 8.953 -9.648 8.051 231 HB3 PHE 30 3HB PHE 30 9.239 -11.385 8.004 232 HD1 PHE 30 HD1 PHE 30 10.121 -8.241 6.222 233 HD2 PHE 30 HD2 PHE 30 11.284 -12.192 7.295 234 HE1 PHE 30 HE1 PHE 30 12.350 -7.842 5.259 235 HE2 PHE 30 HE2 PHE 30 13.515 -11.799 6.335 236 HZ PHE 30 HZ PHE 30 14.051 -9.622 5.316 237 H LEU 31 H LEU 31 7.317 -12.907 7.172 238 HA LEU 31 HA LEU 31 8.849 -14.633 5.609 239 HB2 LEU 31 2HB LEU 31 6.872 -14.859 7.579 240 HB3 LEU 31 3HB LEU 31 6.268 -15.769 6.196 241 HG LEU 31 HG LEU 31 8.425 -17.043 6.202 242 HD11 LEU 31 1HD1 LEU 31 8.827 -15.434 8.705 243 HD12 LEU 31 2HD1 LEU 31 9.920 -15.629 7.335 244 HD13 LEU 31 3HD1 LEU 31 9.634 -16.978 8.434 245 HD21 LEU 31 3HD2 LEU 31 6.641 -18.214 7.108 246 HD22 LEU 31 1HD2 LEU 31 6.485 -17.117 8.479 247 HD23 LEU 31 2HD2 LEU 31 7.832 -18.253 8.409 248 H ASP 32 H ASP 32 5.859 -12.983 4.912 249 HA ASP 32 HA ASP 32 5.129 -14.547 2.647 250 HB2 ASP 32 2HB ASP 32 3.889 -12.604 4.146 251 HB3 ASP 32 3HB ASP 32 4.224 -11.757 2.638 252 H GLY 33 H GLY 33 7.187 -11.767 3.152 253 HA2 GLY 33 2HA GLY 33 7.398 -11.066 0.381 254 HA3 GLY 33 3HA GLY 33 8.417 -10.476 1.686 255 H GLY 34 H GLY 34 9.387 -12.950 2.628 256 HA2 GLY 34 2HA GLY 34 11.626 -13.322 1.017 257 HA3 GLY 34 3HA GLY 34 11.075 -14.455 2.242 258 H GLU 35 H GLU 35 8.490 -14.853 0.860 259 HA GLU 35 HA GLU 35 9.306 -17.025 -0.804 260 HB2 GLU 35 2HB GLU 35 6.550 -15.848 -0.401 261 HB3 GLU 35 3HB GLU 35 6.908 -17.407 -1.130 262 HG2 GLU 35 2HG GLU 35 8.081 -17.101 1.511 263 HG3 GLU 35 3HG GLU 35 6.325 -16.948 1.512 264 H MET 36 H MET 36 8.700 -13.719 -1.354 265 HA MET 36 HA MET 36 7.776 -13.850 -4.034 266 HB2 MET 36 2HB MET 36 9.256 -11.619 -2.628 267 HB3 MET 36 3HB MET 36 8.371 -11.471 -4.141 268 HG2 MET 36 2HG MET 36 7.014 -12.409 -1.645 269 HG3 MET 36 3HG MET 36 7.250 -10.693 -1.969 270 HE1 MET 36 3HE MET 36 5.529 -13.777 -2.378 271 HE2 MET 36 1HE MET 36 4.056 -13.398 -3.271 272 HE3 MET 36 2HE MET 36 5.494 -13.942 -4.135 273 H ILE 37 H ILE 37 10.987 -13.539 -2.580 274 HA ILE 37 HA ILE 37 12.309 -13.375 -5.133 275 HB ILE 37 HB ILE 37 13.122 -12.396 -2.883 276 HG12 ILE 37 2HG1 ILE 37 15.118 -13.956 -4.532 277 HG13 ILE 37 3HG1 ILE 37 14.371 -12.455 -5.069 278 HG21 ILE 37 1HG2 ILE 37 12.945 -14.822 -1.902 279 HG22 ILE 37 2HG2 ILE 37 14.571 -14.979 -2.565 280 HG23 ILE 37 3HG2 ILE 37 14.222 -13.727 -1.373 281 HD11 ILE 37 3HD1 ILE 37 15.304 -11.508 -2.839 282 HD12 ILE 37 1HD1 ILE 37 16.376 -12.907 -2.912 283 HD13 ILE 37 2HD1 ILE 37 16.376 -11.726 -4.222 284 H VAL 38 H VAL 38 11.374 -15.875 -2.923 285 HA VAL 38 HA VAL 38 13.177 -17.874 -3.887 286 HB VAL 38 HB VAL 38 10.592 -18.168 -2.351 287 HG11 VAL 38 1HG1 VAL 38 10.764 -20.343 -2.782 288 HG12 VAL 38 2HG1 VAL 38 12.321 -20.123 -3.584 289 HG13 VAL 38 3HG1 VAL 38 12.252 -20.344 -1.835 290 HG21 VAL 38 3HG2 VAL 38 13.313 -18.542 -1.184 291 HG22 VAL 38 1HG2 VAL 38 12.675 -16.911 -1.388 292 HG23 VAL 38 2HG2 VAL 38 11.804 -18.081 -0.396 293 H THR 39 H THR 39 9.683 -17.331 -4.339 294 HA THR 39 HA THR 39 9.134 -19.391 -6.086 295 HB THR 39 HB THR 39 7.443 -17.828 -5.104 296 HG1 THR 39 HG1 THR 39 6.158 -17.812 -7.111 297 HG21 THR 39 3HG2 THR 39 8.918 -15.834 -6.184 298 HG22 THR 39 1HG2 THR 39 7.222 -15.667 -5.733 299 HG23 THR 39 2HG2 THR 39 7.660 -16.002 -7.408 300 H ALA 40 H ALA 40 10.776 -16.376 -6.702 301 HA ALA 40 HA ALA 40 10.617 -16.516 -9.553 302 HB1 ALA 40 1HB ALA 40 11.379 -14.595 -7.704 303 HB2 ALA 40 2HB ALA 40 12.867 -14.987 -8.567 304 HB3 ALA 40 3HB ALA 40 11.444 -14.453 -9.461 305 H ALA 41 H ALA 41 12.928 -17.575 -7.121 306 HA ALA 41 HA ALA 41 14.962 -18.302 -8.998 307 HB1 ALA 41 1HB ALA 41 15.585 -19.726 -6.780 308 HB2 ALA 41 2HB ALA 41 16.014 -18.033 -7.030 309 HB3 ALA 41 3HB ALA 41 14.581 -18.450 -6.089 310 H GLU 42 H GLU 42 12.494 -20.085 -7.175 311 HA GLU 42 HA GLU 42 13.205 -22.664 -7.980 312 HB2 GLU 42 2HB GLU 42 10.478 -21.554 -7.296 313 HB3 GLU 42 3HB GLU 42 10.852 -23.265 -7.441 314 HG2 GLU 42 2HG GLU 42 12.734 -22.528 -5.671 315 HG3 GLU 42 3HG GLU 42 11.467 -21.367 -5.280 316 H LYS 43 H LYS 43 10.683 -20.541 -9.343 317 HA LYS 43 HA LYS 43 10.004 -22.191 -11.498 318 HB2 LYS 43 2HB LYS 43 9.434 -19.491 -10.625 319 HB3 LYS 43 3HB LYS 43 9.625 -19.556 -12.372 320 HG2 LYS 43 2HG LYS 43 7.801 -20.922 -12.660 321 HG3 LYS 43 3HG LYS 43 7.894 -21.572 -11.021 322 HD2 LYS 43 2HD LYS 43 6.207 -20.168 -10.568 323 HD3 LYS 43 3HD LYS 43 7.445 -18.910 -10.567 324 HE2 LYS 43 2HE LYS 43 6.168 -19.713 -13.142 325 HE3 LYS 43 3HE LYS 43 5.289 -18.661 -12.033 326 HZ1 LYS 43 3HZ LYS 43 8.062 -18.014 -12.777 327 HZ2 LYS 43 1HZ LYS 43 6.821 -16.980 -12.272 328 HZ3 LYS 43 2HZ LYS 43 6.799 -17.629 -13.834 329 H GLU 44 H GLU 44 12.692 -20.067 -11.015 330 HA GLU 44 HA GLU 44 13.403 -20.078 -13.841 331 HB2 GLU 44 2HB GLU 44 14.514 -18.702 -11.411 332 HB3 GLU 44 3HB GLU 44 15.425 -18.761 -12.913 333 HG2 GLU 44 2HG GLU 44 12.694 -17.558 -12.527 334 HG3 GLU 44 3HG GLU 44 14.209 -16.682 -12.741 335 H ALA 45 H ALA 45 16.007 -20.288 -14.022 336 HA ALA 45 HA ALA 45 17.221 -22.311 -12.443 337 HB1 ALA 45 1HB ALA 45 15.479 -23.236 -14.487 338 HB2 ALA 45 2HB ALA 45 17.136 -23.622 -14.954 339 HB3 ALA 45 3HB ALA 45 16.505 -24.176 -13.403 340 H SER 46 H SER 46 17.092 -20.781 -15.635 341 HA SER 46 HA SER 46 19.995 -20.946 -15.875 342 HB2 SER 46 2HB SER 46 17.779 -20.172 -17.756 343 HB3 SER 46 3HB SER 46 19.455 -19.765 -18.124 344 HG SER 46 HG SER 46 18.234 -22.287 -17.919 345 H GLN 47 H GLN 47 19.579 -19.429 -13.779 346 HA GLN 47 HA GLN 47 20.130 -16.712 -14.747 347 HB2 GLN 47 2HB GLN 47 17.756 -17.223 -13.651 348 HB3 GLN 47 3HB GLN 47 18.675 -17.007 -12.167 349 HG2 GLN 47 2HG GLN 47 17.701 -14.919 -12.717 350 HG3 GLN 47 3HG GLN 47 19.429 -14.799 -13.042 351 HE21 GLN 47 1HE2 GLN 47 16.250 -14.929 -14.425 352 HE22 GLN 47 2HE2 GLN 47 16.700 -14.444 -16.020 353 H LYS 48 H LYS 48 21.817 -15.715 -13.790 354 HA LYS 48 HA LYS 48 23.487 -17.273 -12.041 355 HB2 LYS 48 2HB LYS 48 23.823 -14.450 -13.073 356 HB3 LYS 48 3HB LYS 48 25.055 -15.378 -12.228 357 HG2 LYS 48 2HG LYS 48 24.466 -17.082 -14.229 358 HG3 LYS 48 3HG LYS 48 24.146 -15.537 -15.020 359 HD2 LYS 48 2HD LYS 48 26.334 -15.328 -15.360 360 HD3 LYS 48 3HD LYS 48 26.547 -15.194 -13.613 361 HE2 LYS 48 2HE LYS 48 26.264 -17.914 -14.771 362 HE3 LYS 48 3HE LYS 48 27.777 -17.056 -15.057 363 HZ1 LYS 48 3HZ LYS 48 26.660 -18.069 -12.552 364 HZ2 LYS 48 1HZ LYS 48 27.573 -16.647 -12.483 365 HZ3 LYS 48 2HZ LYS 48 28.261 -18.065 -13.097 366 H VAL 49 H VAL 49 21.303 -14.567 -11.741 367 HA VAL 49 HA VAL 49 22.165 -13.825 -9.103 368 HB VAL 49 HB VAL 49 20.248 -12.335 -9.070 369 HG11 VAL 49 1HG1 VAL 49 20.824 -10.925 -10.925 370 HG12 VAL 49 2HG1 VAL 49 22.292 -11.714 -10.346 371 HG13 VAL 49 3HG1 VAL 49 21.499 -12.291 -11.813 372 HG21 VAL 49 3HG2 VAL 49 19.285 -14.157 -11.155 373 HG22 VAL 49 1HG2 VAL 49 18.385 -13.156 -10.015 374 HG23 VAL 49 2HG2 VAL 49 19.019 -12.448 -11.500 375 H ARG 50 H ARG 50 19.726 -15.925 -10.479 376 HA ARG 50 HA ARG 50 17.939 -16.308 -8.472 377 HB2 ARG 50 2HB ARG 50 17.698 -17.533 -10.507 378 HB3 ARG 50 3HB ARG 50 19.232 -18.359 -10.266 379 HG2 ARG 50 2HG ARG 50 17.529 -18.868 -8.030 380 HG3 ARG 50 3HG ARG 50 16.660 -19.217 -9.526 381 HD2 ARG 50 2HD ARG 50 17.691 -21.215 -9.327 382 HD3 ARG 50 3HD ARG 50 19.024 -20.355 -10.096 383 HE ARG 50 HE ARG 50 19.460 -19.920 -7.468 384 HH11 ARG 50 2HH1 ARG 50 18.877 -22.797 -9.339 385 HH12 ARG 50 1HH1 ARG 50 19.813 -23.820 -8.300 386 HH21 ARG 50 2HH2 ARG 50 20.695 -21.256 -6.092 387 HH22 ARG 50 1HH2 ARG 50 20.846 -22.942 -6.453 388 H ASN 51 H ASN 51 21.184 -17.718 -8.666 389 HA ASN 51 HA ASN 51 21.086 -19.377 -6.444 390 HB2 ASN 51 2HB ASN 51 22.951 -19.345 -8.060 391 HB3 ASN 51 3HB ASN 51 23.457 -17.778 -7.434 392 HD21 ASN 51 1HD2 ASN 51 25.456 -18.497 -6.785 393 HD22 ASN 51 2HD2 ASN 51 25.679 -19.563 -5.444 394 H LEU 52 H LEU 52 22.078 -15.965 -6.616 395 HA LEU 52 HA LEU 52 22.492 -15.734 -3.802 396 HB2 LEU 52 2HB LEU 52 23.459 -14.316 -5.736 397 HB3 LEU 52 3HB LEU 52 21.948 -13.416 -5.619 398 HG LEU 52 HG LEU 52 22.487 -12.889 -3.263 399 HD11 LEU 52 1HD1 LEU 52 23.876 -14.685 -2.607 400 HD12 LEU 52 2HD1 LEU 52 24.890 -13.242 -2.583 401 HD13 LEU 52 3HD1 LEU 52 25.013 -14.383 -3.922 402 HD21 LEU 52 3HD2 LEU 52 24.891 -11.986 -4.718 403 HD22 LEU 52 1HD2 LEU 52 23.665 -11.056 -3.856 404 HD23 LEU 52 2HD2 LEU 52 23.339 -11.647 -5.486 405 H LEU 53 H LEU 53 19.781 -15.283 -5.943 406 HA LEU 53 HA LEU 53 18.136 -13.683 -4.360 407 HB2 LEU 53 2HB LEU 53 17.740 -15.619 -6.554 408 HB3 LEU 53 3HB LEU 53 16.325 -15.260 -5.567 409 HG LEU 53 HG LEU 53 16.200 -13.079 -6.301 410 HD11 LEU 53 1HD1 LEU 53 19.140 -13.329 -6.711 411 HD12 LEU 53 2HD1 LEU 53 18.220 -12.092 -5.855 412 HD13 LEU 53 3HD1 LEU 53 18.244 -12.110 -7.618 413 HD21 LEU 53 3HD2 LEU 53 16.257 -13.124 -8.671 414 HD22 LEU 53 1HD2 LEU 53 15.879 -14.764 -8.144 415 HD23 LEU 53 2HD2 LEU 53 17.509 -14.367 -8.686 416 H LEU 54 H LEU 54 18.615 -17.185 -4.350 417 HA LEU 54 HA LEU 54 16.622 -17.658 -2.343 418 HB2 LEU 54 2HB LEU 54 18.860 -19.436 -3.300 419 HB3 LEU 54 3HB LEU 54 17.485 -19.940 -2.320 420 HG LEU 54 HG LEU 54 16.752 -18.686 -4.867 421 HD11 LEU 54 1HD1 LEU 54 17.335 -20.627 -6.225 422 HD12 LEU 54 2HD1 LEU 54 18.195 -21.333 -4.857 423 HD13 LEU 54 3HD1 LEU 54 18.777 -19.837 -5.587 424 HD21 LEU 54 3HD2 LEU 54 14.968 -20.057 -4.694 425 HD22 LEU 54 1HD2 LEU 54 15.479 -20.155 -3.009 426 HD23 LEU 54 2HD2 LEU 54 15.935 -21.426 -4.143 427 H HIS 55 H HIS 55 20.183 -17.738 -2.370 428 HA HIS 55 HA HIS 55 20.595 -18.319 0.313 429 HB2 HIS 55 2HB HIS 55 22.285 -18.083 -1.656 430 HB3 HIS 55 3HB HIS 55 22.388 -16.401 -1.144 431 HD1 HIS 55 HD1 HIS 55 23.901 -15.896 0.782 432 HD2 HIS 55 HD2 HIS 55 23.113 -19.958 0.407 433 HE1 HIS 55 HE1 HIS 55 25.417 -17.031 2.437 434 H LYS 56 H LYS 56 19.985 -15.221 -1.255 435 HA LYS 56 HA LYS 56 20.410 -13.657 1.097 436 HB2 LYS 56 2HB LYS 56 19.184 -13.111 -1.593 437 HB3 LYS 56 3HB LYS 56 19.104 -11.916 -0.306 438 HG2 LYS 56 2HG LYS 56 21.637 -13.098 -1.425 439 HG3 LYS 56 3HG LYS 56 20.972 -11.517 -1.839 440 HD2 LYS 56 2HD LYS 56 21.126 -10.906 0.580 441 HD3 LYS 56 3HD LYS 56 21.971 -12.431 0.856 442 HE2 LYS 56 2HE LYS 56 23.797 -11.142 0.520 443 HE3 LYS 56 3HE LYS 56 23.436 -11.468 -1.175 444 HZ1 LYS 56 3HZ LYS 56 23.413 -9.263 -1.387 445 HZ2 LYS 56 1HZ LYS 56 23.307 -8.996 0.280 446 HZ3 LYS 56 2HZ LYS 56 21.907 -9.302 -0.617 447 H GLY 57 H GLY 57 17.649 -15.231 -0.381 448 HA2 GLY 57 2HA GLY 57 15.656 -13.921 1.174 449 HA3 GLY 57 3HA GLY 57 15.452 -15.418 0.277 450 H LYS 58 H LYS 58 17.205 -17.111 1.472 451 HA LYS 58 HA LYS 58 15.819 -17.856 3.820 452 HB2 LYS 58 2HB LYS 58 17.599 -19.581 4.045 453 HB3 LYS 58 3HB LYS 58 16.857 -19.545 2.451 454 HG2 LYS 58 2HG LYS 58 19.088 -19.748 1.938 455 HG3 LYS 58 3HG LYS 58 18.852 -18.001 1.841 456 HD2 LYS 58 2HD LYS 58 20.402 -17.686 3.402 457 HD3 LYS 58 3HD LYS 58 19.494 -18.691 4.533 458 HE2 LYS 58 2HE LYS 58 21.290 -19.855 2.422 459 HE3 LYS 58 3HE LYS 58 21.884 -19.398 4.017 460 HZ1 LYS 58 3HZ LYS 58 19.565 -21.199 3.728 461 HZ2 LYS 58 1HZ LYS 58 20.612 -21.020 5.045 462 HZ3 LYS 58 2HZ LYS 58 21.144 -21.801 3.642 463 H GLU 59 H GLU 59 18.536 -15.812 3.258 464 HA GLU 59 HA GLU 59 19.587 -15.973 5.931 465 HB2 GLU 59 2HB GLU 59 21.099 -15.440 4.124 466 HB3 GLU 59 3HB GLU 59 20.123 -14.054 3.661 467 HG2 GLU 59 2HG GLU 59 22.209 -13.508 4.913 468 HG3 GLU 59 3HG GLU 59 20.729 -12.860 5.615 469 H VAL 60 H VAL 60 18.079 -13.310 4.091 470 HA VAL 60 HA VAL 60 17.728 -11.525 6.160 471 HB VAL 60 HB VAL 60 15.975 -10.482 4.866 472 HG11 VAL 60 1HG1 VAL 60 17.571 -9.739 3.516 473 HG12 VAL 60 2HG1 VAL 60 18.528 -11.187 3.837 474 HG13 VAL 60 3HG1 VAL 60 17.379 -11.165 2.499 475 HG21 VAL 60 3HG2 VAL 60 14.675 -12.479 4.333 476 HG22 VAL 60 1HG2 VAL 60 15.024 -11.545 2.879 477 HG23 VAL 60 2HG2 VAL 60 15.937 -13.014 3.223 478 H LEU 61 H LEU 61 15.874 -14.383 5.394 479 HA LEU 61 HA LEU 61 13.622 -13.793 7.021 480 HB2 LEU 61 2HB LEU 61 14.627 -16.051 5.471 481 HB3 LEU 61 3HB LEU 61 13.762 -16.536 6.927 482 HG LEU 61 HG LEU 61 11.861 -15.059 6.109 483 HD11 LEU 61 1HD1 LEU 61 12.743 -15.374 3.341 484 HD12 LEU 61 2HD1 LEU 61 13.687 -14.208 4.267 485 HD13 LEU 61 3HD1 LEU 61 11.939 -14.018 4.132 486 HD21 LEU 61 3HD2 LEU 61 11.697 -16.948 4.064 487 HD22 LEU 61 1HD2 LEU 61 11.074 -17.098 5.707 488 HD23 LEU 61 2HD2 LEU 61 12.683 -17.707 5.315 489 H GLU 62 H GLU 62 16.441 -15.913 7.539 490 HA GLU 62 HA GLU 62 15.775 -16.545 10.218 491 HB2 GLU 62 2HB GLU 62 18.046 -17.447 10.368 492 HB3 GLU 62 3HB GLU 62 17.259 -17.956 8.881 493 HG2 GLU 62 2HG GLU 62 18.522 -16.412 7.589 494 HG3 GLU 62 3HG GLU 62 19.156 -15.631 9.036 495 H TRP 63 H TRP 63 17.560 -13.942 8.733 496 HA TRP 63 HA TRP 63 18.814 -13.012 11.121 497 HB2 TRP 63 2HB TRP 63 19.662 -12.492 8.849 498 HB3 TRP 63 3HB TRP 63 18.234 -11.501 8.565 499 HD1 TRP 63 HD1 TRP 63 20.824 -11.592 11.472 500 HE1 TRP 63 HE1 TRP 63 21.582 -9.173 11.919 501 HE3 TRP 63 HE3 TRP 63 18.082 -9.204 7.878 502 HZ2 TRP 63 HZ2 TRP 63 21.084 -6.595 10.886 503 HZ3 TRP 63 HZ3 TRP 63 18.280 -6.760 7.673 504 HH2 TRP 63 HH2 TRP 63 19.750 -5.484 9.147 505 H ALA 64 H ALA 64 15.996 -11.885 9.256 506 HA ALA 64 HA ALA 64 15.255 -9.764 10.890 507 HB1 ALA 64 1HB ALA 64 13.888 -11.462 8.899 508 HB2 ALA 64 2HB ALA 64 12.852 -10.565 10.010 509 HB3 ALA 64 3HB ALA 64 14.016 -9.706 9.001 510 H GLU 65 H GLU 65 14.758 -13.198 11.295 511 HA GLU 65 HA GLU 65 12.821 -12.940 13.395 512 HB2 GLU 65 2HB GLU 65 14.456 -15.247 12.354 513 HB3 GLU 65 3HB GLU 65 13.398 -15.408 13.748 514 HG2 GLU 65 2HG GLU 65 11.773 -14.230 11.871 515 HG3 GLU 65 3HG GLU 65 12.758 -15.337 10.916 516 H HIS 66 H HIS 66 16.248 -12.842 13.189 517 HA HIS 66 HA HIS 66 16.995 -13.736 15.728 518 HB2 HIS 66 2HB HIS 66 18.369 -12.856 13.596 519 HB3 HIS 66 3HB HIS 66 18.458 -11.411 14.598 520 HD1 HIS 66 HD1 HIS 66 19.425 -11.903 17.120 521 HD2 HIS 66 HD2 HIS 66 20.264 -14.705 14.170 522 HE1 HIS 66 HE1 HIS 66 21.365 -13.243 17.996 523 H LEU 67 H LEU 67 16.383 -10.389 14.655 524 HA LEU 67 HA LEU 67 16.541 -9.307 17.279 525 HB2 LEU 67 2HB LEU 67 15.778 -7.253 16.299 526 HB3 LEU 67 3HB LEU 67 16.961 -8.005 15.231 527 HG LEU 67 HG LEU 67 14.725 -8.937 14.100 528 HD11 LEU 67 1HD1 LEU 67 13.518 -7.486 15.947 529 HD12 LEU 67 2HD1 LEU 67 12.871 -7.628 14.313 530 HD13 LEU 67 3HD1 LEU 67 13.794 -6.198 14.774 531 HD21 LEU 67 3HD2 LEU 67 14.865 -6.613 12.790 532 HD22 LEU 67 1HD2 LEU 67 16.080 -7.881 12.623 533 HD23 LEU 67 2HD2 LEU 67 16.375 -6.514 13.698 534 H ALA 68 H ALA 68 13.863 -10.287 15.189 535 HA ALA 68 HA ALA 68 11.765 -9.364 16.817 536 HB1 ALA 68 1HB ALA 68 11.968 -11.444 14.677 537 HB2 ALA 68 2HB ALA 68 10.474 -11.246 15.593 538 HB3 ALA 68 3HB ALA 68 11.120 -9.898 14.657 539 H GLU 69 H GLU 69 13.804 -12.165 17.022 540 HA GLU 69 HA GLU 69 12.082 -13.609 18.823 541 HB2 GLU 69 2HB GLU 69 14.797 -14.020 17.665 542 HB3 GLU 69 3HB GLU 69 14.392 -14.883 19.142 543 HG2 GLU 69 2HG GLU 69 12.301 -15.069 17.139 544 HG3 GLU 69 3HG GLU 69 13.847 -15.697 16.571 545 H TRP 70 H TRP 70 14.520 -11.193 19.084 546 HA TRP 70 HA TRP 70 15.655 -11.569 21.537 547 HB2 TRP 70 2HB TRP 70 16.051 -9.645 19.951 548 HB3 TRP 70 3HB TRP 70 14.598 -8.896 20.606 549 HD1 TRP 70 HD1 TRP 70 18.190 -9.817 21.594 550 HE1 TRP 70 HE1 TRP 70 18.845 -8.438 23.666 551 HE3 TRP 70 HE3 TRP 70 13.660 -7.676 22.608 552 HZ2 TRP 70 HZ2 TRP 70 17.605 -6.676 25.490 553 HZ3 TRP 70 HZ3 TRP 70 13.479 -6.157 24.535 554 HH2 TRP 70 HH2 TRP 70 15.411 -5.669 25.945 555 H ILE 71 H ILE 71 12.538 -9.951 20.933 556 HA ILE 71 HA ILE 71 11.827 -9.347 23.524 557 HB ILE 71 HB ILE 71 9.433 -9.664 22.749 558 HG12 ILE 71 2HG1 ILE 71 9.868 -9.740 19.975 559 HG13 ILE 71 3HG1 ILE 71 10.836 -11.053 20.636 560 HG21 ILE 71 1HG2 ILE 71 11.130 -7.636 22.389 561 HG22 ILE 71 2HG2 ILE 71 10.784 -8.010 20.701 562 HG23 ILE 71 3HG2 ILE 71 9.467 -7.603 21.802 563 HD11 ILE 71 3HD1 ILE 71 7.888 -10.628 21.065 564 HD12 ILE 71 1HD1 ILE 71 8.634 -11.833 20.015 565 HD13 ILE 71 2HD1 ILE 71 8.850 -11.931 21.763 566 H LEU 72 H LEU 72 11.526 -12.423 21.824 567 HA LEU 72 HA LEU 72 10.045 -13.740 23.862 568 HB2 LEU 72 2HB LEU 72 11.844 -15.081 21.864 569 HB3 LEU 72 3HB LEU 72 10.400 -15.730 22.638 570 HG LEU 72 HG LEU 72 10.265 -13.407 20.737 571 HD11 LEU 72 1HD1 LEU 72 11.388 -15.304 19.620 572 HD12 LEU 72 2HD1 LEU 72 9.803 -14.939 18.939 573 HD13 LEU 72 3HD1 LEU 72 10.003 -16.321 20.016 574 HD21 LEU 72 3HD2 LEU 72 8.004 -13.743 20.744 575 HD22 LEU 72 1HD2 LEU 72 8.391 -14.258 22.386 576 HD23 LEU 72 2HD2 LEU 72 8.147 -15.461 21.119 577 H GLU 73 H GLU 73 13.490 -13.798 22.966 578 HA GLU 73 HA GLU 73 14.361 -15.552 24.952 579 HB2 GLU 73 2HB GLU 73 15.725 -14.811 23.017 580 HB3 GLU 73 3HB GLU 73 15.890 -13.230 23.766 581 HG2 GLU 73 2HG GLU 73 17.878 -14.354 24.256 582 HG3 GLU 73 3HG GLU 73 16.929 -14.429 25.740 583 H HIS 74 H HIS 74 13.564 -12.166 25.096 584 HA HIS 74 HA HIS 74 14.759 -11.790 27.704 585 HB2 HIS 74 2HB HIS 74 14.709 -9.938 26.083 586 HB3 HIS 74 3HB HIS 74 12.948 -9.971 26.100 587 HD1 HIS 74 HD1 HIS 74 12.157 -8.004 27.358 588 HD2 HIS 74 HD2 HIS 74 15.514 -9.704 29.119 589 HE1 HIS 74 HE1 HIS 74 12.575 -6.662 29.443 Start of MODEL 7 1 H1 MET 1 H MET 1 2.696 -1.138 -4.460 2 HA MET 1 HA MET 1 4.160 -2.144 -2.729 3 HB2 MET 1 2HB MET 1 1.281 -3.042 -2.516 4 HB3 MET 1 3HB MET 1 2.414 -2.872 -1.183 5 HG2 MET 1 2HG MET 1 2.575 -0.404 -2.049 6 HG3 MET 1 3HG MET 1 1.006 -0.780 -2.757 7 HE1 MET 1 3HE MET 1 -0.539 1.102 0.059 8 HE2 MET 1 1HE MET 1 0.169 1.199 -1.553 9 HE3 MET 1 2HE MET 1 -1.153 0.076 -1.238 10 H GLY 2 H GLY 2 4.719 -3.776 -4.902 11 HA2 GLY 2 2HA GLY 2 4.469 -6.450 -3.672 12 HA3 GLY 2 3HA GLY 2 4.283 -6.216 -5.404 13 H THR 3 H THR 3 6.634 -5.094 -2.969 14 HA THR 3 HA THR 3 8.761 -6.341 -4.571 15 HB THR 3 HB THR 3 10.211 -4.345 -4.028 16 HG1 THR 3 HG1 THR 3 7.678 -3.175 -3.431 17 HG21 THR 3 3HG2 THR 3 7.972 -3.314 -5.679 18 HG22 THR 3 1HG2 THR 3 8.722 -4.825 -6.190 19 HG23 THR 3 2HG2 THR 3 9.700 -3.367 -6.023 20 H ILE 4 H ILE 4 10.561 -7.057 -3.423 21 HA ILE 4 HA ILE 4 10.172 -8.098 -0.899 22 HB ILE 4 HB ILE 4 12.811 -7.334 -2.154 23 HG12 ILE 4 2HG1 ILE 4 11.533 -8.838 -3.577 24 HG13 ILE 4 3HG1 ILE 4 12.873 -9.713 -2.845 25 HG21 ILE 4 1HG2 ILE 4 13.781 -8.025 -0.284 26 HG22 ILE 4 2HG2 ILE 4 12.204 -8.354 0.433 27 HG23 ILE 4 3HG2 ILE 4 13.031 -9.608 -0.490 28 HD11 ILE 4 3HD1 ILE 4 10.694 -10.017 -1.107 29 HD12 ILE 4 1HD1 ILE 4 10.075 -10.268 -2.739 30 HD13 ILE 4 2HD1 ILE 4 11.429 -11.233 -2.151 31 H ASP 5 H ASP 5 11.567 -4.990 -1.811 32 HA ASP 5 HA ASP 5 12.618 -4.169 0.610 33 HB2 ASP 5 2HB ASP 5 11.881 -2.938 -1.872 34 HB3 ASP 5 3HB ASP 5 11.361 -1.906 -0.543 35 H ASP 6 H ASP 6 9.289 -4.386 -0.396 36 HA ASP 6 HA ASP 6 8.112 -2.733 1.543 37 HB2 ASP 6 2HB ASP 6 6.991 -3.736 -0.494 38 HB3 ASP 6 3HB ASP 6 6.879 -5.245 0.407 39 H ALA 7 H ALA 7 9.264 -6.034 1.677 40 HA ALA 7 HA ALA 7 8.009 -6.742 4.124 41 HB1 ALA 7 1HB ALA 7 10.578 -8.017 3.372 42 HB2 ALA 7 2HB ALA 7 9.066 -8.745 3.915 43 HB3 ALA 7 3HB ALA 7 9.226 -8.182 2.252 44 H PHE 8 H PHE 8 11.361 -5.782 3.372 45 HA PHE 8 HA PHE 8 12.395 -5.791 5.930 46 HB2 PHE 8 2HB PHE 8 13.066 -3.765 3.787 47 HB3 PHE 8 3HB PHE 8 14.096 -4.265 5.124 48 HD1 PHE 8 HD2 PHE 8 13.822 -7.168 5.084 49 HD2 PHE 8 HD1 PHE 8 14.161 -4.409 1.860 50 HE1 PHE 8 HE2 PHE 8 14.790 -8.938 3.676 51 HE2 PHE 8 HE1 PHE 8 15.128 -6.175 0.446 52 HZ PHE 8 HZ PHE 8 15.445 -8.443 1.354 53 H ARG 9 H ARG 9 10.340 -3.417 4.388 54 HA ARG 9 HA ARG 9 10.701 -1.314 6.231 55 HB2 ARG 9 2HB ARG 9 8.475 -2.024 4.333 56 HB3 ARG 9 3HB ARG 9 8.380 -0.616 5.383 57 HG2 ARG 9 2HG ARG 9 10.263 0.390 4.342 58 HG3 ARG 9 3HG ARG 9 10.635 -1.088 3.453 59 HD2 ARG 9 2HD ARG 9 9.168 -0.608 1.835 60 HD3 ARG 9 3HD ARG 9 7.924 -0.134 2.990 61 HE ARG 9 HE ARG 9 9.645 1.598 1.533 62 HH11 ARG 9 2HH1 ARG 9 8.005 1.227 4.581 63 HH12 ARG 9 1HH1 ARG 9 7.909 2.930 4.885 64 HH21 ARG 9 2HH2 ARG 9 9.525 3.843 1.922 65 HH22 ARG 9 1HH2 ARG 9 8.773 4.417 3.372 66 H ALA 10 H ALA 10 8.277 -3.905 6.056 67 HA ALA 10 HA ALA 10 6.787 -3.143 8.309 68 HB1 ALA 10 1HB ALA 10 5.559 -4.976 7.884 69 HB2 ALA 10 2HB ALA 10 6.525 -5.061 6.410 70 HB3 ALA 10 3HB ALA 10 6.971 -6.031 7.814 71 H ILE 11 H ILE 11 9.688 -5.106 7.977 72 HA ILE 11 HA ILE 11 9.818 -6.315 10.452 73 HB ILE 11 HB ILE 11 12.116 -5.144 8.880 74 HG12 ILE 11 2HG1 ILE 11 10.741 -6.781 7.631 75 HG13 ILE 11 3HG1 ILE 11 12.364 -7.382 7.952 76 HG21 ILE 11 1HG2 ILE 11 12.102 -7.208 11.078 77 HG22 ILE 11 2HG2 ILE 11 13.501 -6.770 10.098 78 HG23 ILE 11 3HG2 ILE 11 12.770 -5.578 11.173 79 HD11 ILE 11 3HD1 ILE 11 10.586 -8.149 10.067 80 HD12 ILE 11 1HD1 ILE 11 9.938 -8.642 8.503 81 HD13 ILE 11 2HD1 ILE 11 11.554 -9.156 8.990 82 H GLU 12 H GLU 12 10.816 -3.034 9.558 83 HA GLU 12 HA GLU 12 12.005 -2.256 11.939 84 HB2 GLU 12 2HB GLU 12 12.036 -0.910 9.876 85 HB3 GLU 12 3HB GLU 12 10.327 -0.558 10.085 86 HG2 GLU 12 2HG GLU 12 10.852 0.565 12.217 87 HG3 GLU 12 3HG GLU 12 12.565 0.279 11.913 88 H ARG 13 H ARG 13 8.592 -2.293 11.037 89 HA ARG 13 HA ARG 13 7.707 -1.047 13.458 90 HB2 ARG 13 2HB ARG 13 6.567 -1.658 10.981 91 HB3 ARG 13 3HB ARG 13 5.685 -2.649 12.136 92 HG2 ARG 13 2HG ARG 13 4.481 -0.894 12.730 93 HG3 ARG 13 3HG ARG 13 5.945 -0.048 13.235 94 HD2 ARG 13 2HD ARG 13 6.060 1.171 11.329 95 HD3 ARG 13 3HD ARG 13 5.414 -0.131 10.332 96 HE ARG 13 HE ARG 13 3.363 0.814 11.979 97 HH11 ARG 13 2HH1 ARG 13 5.333 1.893 9.320 98 HH12 ARG 13 1HH1 ARG 13 4.131 2.973 8.697 99 HH21 ARG 13 2HH2 ARG 13 1.771 2.233 11.169 100 HH22 ARG 13 1HH2 ARG 13 2.105 3.166 9.749 101 H ALA 14 H ALA 14 8.312 -4.309 12.408 102 HA ALA 14 HA ALA 14 6.808 -5.695 14.339 103 HB1 ALA 14 1HB ALA 14 7.592 -7.488 13.282 104 HB2 ALA 14 2HB ALA 14 8.467 -6.381 12.223 105 HB3 ALA 14 3HB ALA 14 9.263 -7.058 13.644 106 H ILE 15 H ILE 15 10.246 -4.761 14.324 107 HA ILE 15 HA ILE 15 10.821 -5.760 16.900 108 HB ILE 15 HB ILE 15 12.604 -5.291 15.319 109 HG12 ILE 15 2HG1 ILE 15 13.518 -3.304 17.174 110 HG13 ILE 15 3HG1 ILE 15 12.563 -4.502 18.042 111 HG21 ILE 15 1HG2 ILE 15 11.923 -2.376 15.682 112 HG22 ILE 15 2HG2 ILE 15 13.241 -3.033 14.713 113 HG23 ILE 15 3HG2 ILE 15 11.567 -3.334 14.246 114 HD11 ILE 15 3HD1 ILE 15 13.994 -6.252 16.901 115 HD12 ILE 15 1HD1 ILE 15 15.051 -4.923 16.423 116 HD13 ILE 15 2HD1 ILE 15 14.776 -5.261 18.133 117 H GLN 16 H GLN 16 9.670 -2.637 15.754 118 HA GLN 16 HA GLN 16 10.008 -1.198 18.148 119 HB2 GLN 16 2HB GLN 16 8.367 -0.861 15.684 120 HB3 GLN 16 3HB GLN 16 7.948 0.109 17.089 121 HG2 GLN 16 2HG GLN 16 10.801 0.101 16.457 122 HG3 GLN 16 3HG GLN 16 9.780 0.785 15.193 123 HE21 GLN 16 1HE2 GLN 16 9.938 2.907 15.359 124 HE22 GLN 16 2HE2 GLN 16 9.756 3.825 16.811 125 H ALA 17 H ALA 17 7.693 -3.564 17.188 126 HA ALA 17 HA ALA 17 5.467 -2.957 18.695 127 HB1 ALA 17 1HB ALA 17 6.060 -4.991 17.116 128 HB2 ALA 17 2HB ALA 17 6.365 -5.789 18.659 129 HB3 ALA 17 3HB ALA 17 4.778 -5.099 18.322 130 H GLU 18 H GLU 18 8.297 -4.858 19.739 131 HA GLU 18 HA GLU 18 9.104 -5.381 21.802 132 HB2 GLU 18 2HB GLU 18 7.742 -2.792 22.568 133 HB3 GLU 18 3HB GLU 18 8.952 -3.632 23.527 134 HG2 GLU 18 2HG GLU 18 10.519 -3.358 21.573 135 HG3 GLU 18 3HG GLU 18 9.315 -2.277 20.873 136 H ASN 19 H ASN 19 7.099 -6.957 21.356 137 HA ASN 19 HA ASN 19 5.638 -7.032 23.899 138 HB2 ASN 19 2HB ASN 19 4.297 -6.197 21.779 139 HB3 ASN 19 3HB ASN 19 4.220 -7.919 21.420 140 HD21 ASN 19 1HD2 ASN 19 2.379 -8.760 22.041 141 HD22 ASN 19 2HD2 ASN 19 1.504 -8.362 23.476 142 H GLU 20 H GLU 20 4.424 -9.284 23.982 143 HA GLU 20 HA GLU 20 6.247 -11.358 22.966 144 HB2 GLU 20 2HB GLU 20 5.742 -12.560 25.182 145 HB3 GLU 20 3HB GLU 20 6.890 -11.230 25.211 146 HG2 GLU 20 2HG GLU 20 5.138 -9.736 26.031 147 HG3 GLU 20 3HG GLU 20 3.993 -11.076 26.013 148 H GLY 21 H GLY 21 4.092 -10.872 21.508 149 HA2 GLY 21 2HA GLY 21 2.632 -13.311 21.637 150 HA3 GLY 21 3HA GLY 21 1.643 -11.967 22.187 151 H ARG 22 H ARG 22 2.186 -9.939 20.564 152 HA ARG 22 HA ARG 22 1.033 -10.809 18.068 153 HB2 ARG 22 2HB ARG 22 1.778 -8.082 19.131 154 HB3 ARG 22 3HB ARG 22 1.054 -8.342 17.549 155 HG2 ARG 22 2HG ARG 22 -0.932 -8.188 18.513 156 HG3 ARG 22 3HG ARG 22 -0.590 -9.709 19.341 157 HD2 ARG 22 2HD ARG 22 0.086 -8.649 21.285 158 HD3 ARG 22 3HD ARG 22 0.447 -7.137 20.453 159 HE ARG 22 HE ARG 22 -2.253 -7.454 20.175 160 HH11 ARG 22 2HH1 ARG 22 -0.040 -7.319 22.859 161 HH12 ARG 22 1HH1 ARG 22 -1.201 -6.636 23.950 162 HH21 ARG 22 2HH2 ARG 22 -3.790 -6.555 21.601 163 HH22 ARG 22 1HH2 ARG 22 -3.333 -6.203 23.233 164 H TYR 23 H TYR 23 4.164 -10.054 19.258 165 HA TYR 23 HA TYR 23 5.491 -9.112 17.022 166 HB2 TYR 23 2HB TYR 23 7.495 -9.762 18.068 167 HB3 TYR 23 3HB TYR 23 6.381 -9.483 19.402 168 HD1 TYR 23 HD1 TYR 23 4.954 -11.731 19.986 169 HD2 TYR 23 HD2 TYR 23 8.847 -11.609 18.275 170 HE1 TYR 23 HE1 TYR 23 5.390 -14.000 20.830 171 HE2 TYR 23 HE2 TYR 23 9.293 -13.878 19.113 172 HH TYR 23 HH TYR 23 6.965 -15.952 20.132 173 H ARG 24 H ARG 24 4.396 -12.345 17.761 174 HA ARG 24 HA ARG 24 5.904 -13.648 15.713 175 HB2 ARG 24 2HB ARG 24 4.509 -15.590 16.194 176 HB3 ARG 24 3HB ARG 24 5.077 -14.854 17.687 177 HG2 ARG 24 2HG ARG 24 2.991 -14.733 18.406 178 HG3 ARG 24 3HG ARG 24 2.596 -13.662 17.060 179 HD2 ARG 24 2HD ARG 24 2.676 -16.642 16.723 180 HD3 ARG 24 3HD ARG 24 1.237 -15.824 17.332 181 HE ARG 24 HE ARG 24 0.992 -14.759 15.233 182 HH11 ARG 24 2HH1 ARG 24 3.613 -17.049 15.331 183 HH12 ARG 24 1HH1 ARG 24 3.728 -17.188 13.608 184 HH21 ARG 24 2HH2 ARG 24 1.134 -14.934 12.963 185 HH22 ARG 24 1HH2 ARG 24 2.318 -15.985 12.262 186 H GLU 25 H GLU 25 2.805 -12.062 15.885 187 HA GLU 25 HA GLU 25 1.799 -13.125 13.424 188 HB2 GLU 25 2HB GLU 25 0.799 -11.534 15.557 189 HB3 GLU 25 3HB GLU 25 0.561 -10.633 14.067 190 HG2 GLU 25 2HG GLU 25 -0.217 -13.272 13.520 191 HG3 GLU 25 3HG GLU 25 -0.904 -12.864 15.091 192 H ALA 26 H ALA 26 3.581 -10.259 14.386 193 HA ALA 26 HA ALA 26 3.298 -8.782 12.009 194 HB1 ALA 26 1HB ALA 26 4.110 -7.508 13.739 195 HB2 ALA 26 2HB ALA 26 5.238 -8.756 14.273 196 HB3 ALA 26 3HB ALA 26 5.587 -7.813 12.824 197 H LEU 27 H LEU 27 5.713 -11.168 13.023 198 HA LEU 27 HA LEU 27 7.462 -10.924 10.861 199 HB2 LEU 27 2HB LEU 27 6.825 -13.057 12.828 200 HB3 LEU 27 3HB LEU 27 7.778 -13.498 11.413 201 HG LEU 27 HG LEU 27 8.592 -11.218 13.185 202 HD11 LEU 27 1HD1 LEU 27 10.135 -12.922 14.257 203 HD12 LEU 27 2HD1 LEU 27 9.063 -14.156 13.597 204 HD13 LEU 27 3HD1 LEU 27 8.441 -12.971 14.746 205 HD21 LEU 27 3HD2 LEU 27 10.858 -12.078 12.330 206 HD22 LEU 27 1HD2 LEU 27 9.819 -11.202 11.205 207 HD23 LEU 27 2HD2 LEU 27 9.909 -12.962 11.133 208 H LYS 28 H LYS 28 4.379 -12.518 11.136 209 HA LYS 28 HA LYS 28 4.445 -14.312 9.041 210 HB2 LYS 28 2HB LYS 28 2.538 -13.565 10.750 211 HB3 LYS 28 3HB LYS 28 1.993 -12.652 9.350 212 HG2 LYS 28 2HG LYS 28 2.625 -15.324 8.553 213 HG3 LYS 28 3HG LYS 28 1.533 -15.358 9.940 214 HD2 LYS 28 2HD LYS 28 -0.149 -14.247 8.808 215 HD3 LYS 28 3HD LYS 28 0.970 -13.510 7.660 216 HE2 LYS 28 2HE LYS 28 0.493 -15.126 6.214 217 HE3 LYS 28 3HE LYS 28 1.200 -16.295 7.329 218 HZ1 LYS 28 3HZ LYS 28 -1.414 -16.188 6.532 219 HZ2 LYS 28 1HZ LYS 28 -1.444 -15.556 8.101 220 HZ3 LYS 28 2HZ LYS 28 -0.797 -17.094 7.820 221 H HIS 29 H HIS 29 4.023 -10.820 8.951 222 HA HIS 29 HA HIS 29 3.273 -10.586 6.250 223 HB2 HIS 29 2HB HIS 29 3.139 -8.787 8.023 224 HB3 HIS 29 3HB HIS 29 4.873 -8.559 7.817 225 HD1 HIS 29 HD1 HIS 29 5.568 -6.965 6.038 226 HD2 HIS 29 HD2 HIS 29 1.643 -8.240 5.553 227 HE1 HIS 29 HE1 HIS 29 4.648 -5.601 4.136 228 H PHE 30 H PHE 30 6.397 -10.881 7.812 229 HA PHE 30 HA PHE 30 7.910 -10.250 5.459 230 HB2 PHE 30 2HB PHE 30 8.643 -10.057 7.934 231 HB3 PHE 30 3HB PHE 30 8.981 -11.781 7.816 232 HD1 PHE 30 HD1 PHE 30 9.669 -8.625 5.949 233 HD2 PHE 30 HD2 PHE 30 11.107 -12.417 7.241 234 HE1 PHE 30 HE1 PHE 30 11.868 -8.121 4.968 235 HE2 PHE 30 HE2 PHE 30 13.309 -11.919 6.263 236 HZ PHE 30 HZ PHE 30 13.692 -9.768 5.126 237 H LEU 31 H LEU 31 6.852 -13.200 7.077 238 HA LEU 31 HA LEU 31 8.328 -15.064 5.622 239 HB2 LEU 31 2HB LEU 31 5.841 -15.091 7.208 240 HB3 LEU 31 3HB LEU 31 6.038 -16.417 6.064 241 HG LEU 31 HG LEU 31 6.788 -16.988 8.341 242 HD11 LEU 31 1HD1 LEU 31 9.334 -16.974 6.876 243 HD12 LEU 31 2HD1 LEU 31 7.958 -17.627 5.987 244 HD13 LEU 31 3HD1 LEU 31 8.410 -18.320 7.544 245 HD21 LEU 31 3HD2 LEU 31 8.351 -15.832 9.510 246 HD22 LEU 31 1HD2 LEU 31 7.712 -14.495 8.552 247 HD23 LEU 31 2HD2 LEU 31 9.204 -15.298 8.062 248 H ASP 32 H ASP 32 5.461 -13.271 4.774 249 HA ASP 32 HA ASP 32 4.721 -14.865 2.532 250 HB2 ASP 32 2HB ASP 32 3.575 -12.763 3.932 251 HB3 ASP 32 3HB ASP 32 3.938 -12.061 2.357 252 H GLY 33 H GLY 33 7.000 -12.299 3.053 253 HA2 GLY 33 2HA GLY 33 7.305 -11.641 0.264 254 HA3 GLY 33 3HA GLY 33 8.317 -11.081 1.587 255 H GLY 34 H GLY 34 8.924 -13.754 2.562 256 HA2 GLY 34 2HA GLY 34 11.286 -14.254 1.177 257 HA3 GLY 34 3HA GLY 34 10.494 -15.399 2.250 258 H GLU 35 H GLU 35 8.058 -15.446 0.575 259 HA GLU 35 HA GLU 35 8.922 -17.525 -1.219 260 HB2 GLU 35 2HB GLU 35 6.237 -16.374 -0.495 261 HB3 GLU 35 3HB GLU 35 6.415 -17.551 -1.788 262 HG2 GLU 35 2HG GLU 35 7.621 -18.221 0.829 263 HG3 GLU 35 3HG GLU 35 5.862 -18.239 0.714 264 H MET 36 H MET 36 8.390 -14.170 -1.442 265 HA MET 36 HA MET 36 7.630 -14.056 -4.193 266 HB2 MET 36 2HB MET 36 8.839 -11.930 -2.415 267 HB3 MET 36 3HB MET 36 8.126 -11.647 -3.998 268 HG2 MET 36 2HG MET 36 5.981 -12.579 -3.079 269 HG3 MET 36 3HG MET 36 6.740 -12.541 -1.489 270 HE1 MET 36 3HE MET 36 4.088 -11.308 -2.440 271 HE2 MET 36 1HE MET 36 4.025 -9.546 -2.408 272 HE3 MET 36 2HE MET 36 4.496 -10.384 -3.886 273 H ILE 37 H ILE 37 10.646 -14.199 -2.462 274 HA ILE 37 HA ILE 37 12.259 -13.392 -4.707 275 HB ILE 37 HB ILE 37 12.834 -13.191 -2.185 276 HG12 ILE 37 2HG1 ILE 37 14.939 -14.260 -4.075 277 HG13 ILE 37 3HG1 ILE 37 14.312 -12.616 -4.125 278 HG21 ILE 37 1HG2 ILE 37 13.716 -14.983 -1.067 279 HG22 ILE 37 2HG2 ILE 37 12.502 -15.797 -2.054 280 HG23 ILE 37 3HG2 ILE 37 14.195 -15.812 -2.548 281 HD11 ILE 37 3HD1 ILE 37 15.288 -13.455 -1.499 282 HD12 ILE 37 1HD1 ILE 37 16.518 -13.403 -2.762 283 HD13 ILE 37 2HD1 ILE 37 15.566 -11.963 -2.397 284 H VAL 38 H VAL 38 10.957 -16.347 -3.464 285 HA VAL 38 HA VAL 38 12.775 -18.150 -4.683 286 HB VAL 38 HB VAL 38 9.889 -18.606 -3.909 287 HG11 VAL 38 1HG1 VAL 38 11.990 -20.350 -5.019 288 HG12 VAL 38 2HG1 VAL 38 11.082 -21.007 -3.656 289 HG13 VAL 38 3HG1 VAL 38 10.235 -20.484 -5.112 290 HG21 VAL 38 3HG2 VAL 38 12.137 -18.085 -2.298 291 HG22 VAL 38 1HG2 VAL 38 10.544 -18.644 -1.786 292 HG23 VAL 38 2HG2 VAL 38 11.810 -19.813 -2.159 293 H THR 39 H THR 39 9.694 -16.749 -5.712 294 HA THR 39 HA THR 39 9.192 -18.203 -7.995 295 HB THR 39 HB THR 39 7.762 -16.353 -7.006 296 HG1 THR 39 HG1 THR 39 6.870 -16.991 -8.840 297 HG21 THR 39 3HG2 THR 39 9.866 -14.742 -7.369 298 HG22 THR 39 1HG2 THR 39 8.206 -14.149 -7.358 299 HG23 THR 39 2HG2 THR 39 9.026 -14.447 -8.891 300 H ALA 40 H ALA 40 11.616 -15.757 -7.457 301 HA ALA 40 HA ALA 40 12.237 -15.339 -10.221 302 HB1 ALA 40 1HB ALA 40 13.367 -14.470 -7.622 303 HB2 ALA 40 2HB ALA 40 14.433 -14.433 -9.027 304 HB3 ALA 40 3HB ALA 40 12.923 -13.522 -9.042 305 H ALA 41 H ALA 41 13.502 -17.379 -7.639 306 HA ALA 41 HA ALA 41 15.730 -18.341 -9.157 307 HB1 ALA 41 1HB ALA 41 15.110 -20.185 -7.115 308 HB2 ALA 41 2HB ALA 41 16.371 -18.952 -7.124 309 HB3 ALA 41 3HB ALA 41 14.775 -18.575 -6.477 310 H GLU 42 H GLU 42 12.594 -19.741 -8.212 311 HA GLU 42 HA GLU 42 12.851 -22.221 -9.413 312 HB2 GLU 42 2HB GLU 42 10.340 -20.550 -9.208 313 HB3 GLU 42 3HB GLU 42 10.399 -22.286 -9.477 314 HG2 GLU 42 2HG GLU 42 11.609 -22.462 -7.270 315 HG3 GLU 42 3HG GLU 42 11.183 -20.771 -7.007 316 H LYS 43 H LYS 43 11.374 -19.299 -10.824 317 HA LYS 43 HA LYS 43 10.864 -20.339 -13.357 318 HB2 LYS 43 2HB LYS 43 10.196 -18.062 -12.272 319 HB3 LYS 43 3HB LYS 43 11.694 -17.479 -12.986 320 HG2 LYS 43 2HG LYS 43 10.423 -18.843 -15.046 321 HG3 LYS 43 3HG LYS 43 9.132 -17.970 -14.217 322 HD2 LYS 43 2HD LYS 43 11.087 -16.076 -14.331 323 HD3 LYS 43 3HD LYS 43 11.362 -16.958 -15.835 324 HE2 LYS 43 2HE LYS 43 8.676 -16.714 -15.899 325 HE3 LYS 43 3HE LYS 43 9.102 -15.249 -15.016 326 HZ1 LYS 43 3HZ LYS 43 9.819 -14.305 -16.874 327 HZ2 LYS 43 1HZ LYS 43 9.181 -15.612 -17.738 328 HZ3 LYS 43 2HZ LYS 43 10.803 -15.625 -17.261 329 H GLU 44 H GLU 44 13.834 -19.308 -11.912 330 HA GLU 44 HA GLU 44 15.206 -19.370 -14.503 331 HB2 GLU 44 2HB GLU 44 16.156 -18.456 -11.783 332 HB3 GLU 44 3HB GLU 44 17.142 -18.450 -13.239 333 HG2 GLU 44 2HG GLU 44 14.574 -16.917 -12.914 334 HG3 GLU 44 3HG GLU 44 16.184 -16.244 -12.667 335 H ALA 45 H ALA 45 17.673 -20.179 -13.965 336 HA ALA 45 HA ALA 45 17.781 -22.534 -12.335 337 HB1 ALA 45 1HB ALA 45 18.383 -23.932 -14.479 338 HB2 ALA 45 2HB ALA 45 16.710 -23.762 -13.944 339 HB3 ALA 45 3HB ALA 45 17.319 -22.766 -15.266 340 H SER 46 H SER 46 19.350 -21.725 -15.425 341 HA SER 46 HA SER 46 21.952 -22.014 -14.185 342 HB2 SER 46 2HB SER 46 20.977 -21.663 -17.003 343 HB3 SER 46 3HB SER 46 22.678 -21.400 -16.619 344 HG SER 46 HG SER 46 21.392 -23.709 -16.979 345 H GLN 47 H GLN 47 20.901 -19.975 -12.907 346 HA GLN 47 HA GLN 47 22.142 -17.595 -14.122 347 HB2 GLN 47 2HB GLN 47 19.537 -17.711 -13.783 348 HB3 GLN 47 3HB GLN 47 19.941 -17.346 -12.111 349 HG2 GLN 47 2HG GLN 47 19.609 -15.247 -12.933 350 HG3 GLN 47 3HG GLN 47 21.345 -15.421 -13.186 351 HE21 GLN 47 1HE2 GLN 47 18.338 -14.847 -14.629 352 HE22 GLN 47 2HE2 GLN 47 18.857 -14.832 -16.276 353 H LYS 48 H LYS 48 23.471 -16.367 -12.860 354 HA LYS 48 HA LYS 48 24.632 -17.607 -10.579 355 HB2 LYS 48 2HB LYS 48 25.001 -14.760 -11.522 356 HB3 LYS 48 3HB LYS 48 26.087 -15.677 -10.486 357 HG2 LYS 48 2HG LYS 48 26.025 -17.297 -12.626 358 HG3 LYS 48 3HG LYS 48 25.750 -15.740 -13.412 359 HD2 LYS 48 2HD LYS 48 27.974 -16.148 -11.433 360 HD3 LYS 48 3HD LYS 48 28.172 -16.521 -13.147 361 HE2 LYS 48 2HE LYS 48 26.976 -13.936 -12.860 362 HE3 LYS 48 3HE LYS 48 28.430 -14.022 -11.867 363 HZ1 LYS 48 3HZ LYS 48 28.624 -13.315 -14.321 364 HZ2 LYS 48 1HZ LYS 48 28.490 -14.968 -14.655 365 HZ3 LYS 48 2HZ LYS 48 29.760 -14.399 -13.694 366 H VAL 49 H VAL 49 22.328 -14.996 -11.049 367 HA VAL 49 HA VAL 49 22.319 -14.166 -8.308 368 HB VAL 49 HB VAL 49 20.384 -12.809 -8.900 369 HG11 VAL 49 1HG1 VAL 49 22.742 -12.152 -9.543 370 HG12 VAL 49 2HG1 VAL 49 22.338 -12.665 -11.182 371 HG13 VAL 49 3HG1 VAL 49 21.443 -11.347 -10.424 372 HG21 VAL 49 3HG2 VAL 49 18.954 -13.736 -10.356 373 HG22 VAL 49 1HG2 VAL 49 19.999 -13.044 -11.596 374 HG23 VAL 49 2HG2 VAL 49 20.208 -14.725 -11.103 375 H ARG 50 H ARG 50 20.506 -16.448 -10.245 376 HA ARG 50 HA ARG 50 18.262 -16.861 -8.696 377 HB2 ARG 50 2HB ARG 50 18.501 -17.955 -10.826 378 HB3 ARG 50 3HB ARG 50 19.905 -18.851 -10.262 379 HG2 ARG 50 2HG ARG 50 17.735 -19.403 -8.513 380 HG3 ARG 50 3HG ARG 50 17.184 -19.605 -10.178 381 HD2 ARG 50 2HD ARG 50 18.040 -21.687 -9.807 382 HD3 ARG 50 3HD ARG 50 19.486 -20.878 -10.409 383 HE ARG 50 HE ARG 50 19.549 -20.518 -7.694 384 HH11 ARG 50 2HH1 ARG 50 19.410 -23.254 -9.842 385 HH12 ARG 50 1HH1 ARG 50 20.263 -24.309 -8.764 386 HH21 ARG 50 2HH2 ARG 50 20.673 -21.896 -6.267 387 HH22 ARG 50 1HH2 ARG 50 20.980 -23.535 -6.730 388 H ASN 51 H ASN 51 21.544 -17.993 -8.179 389 HA ASN 51 HA ASN 51 20.871 -19.766 -6.035 390 HB2 ASN 51 2HB ASN 51 22.963 -19.800 -7.566 391 HB3 ASN 51 3HB ASN 51 23.605 -18.588 -6.461 392 HD21 ASN 51 1HD2 ASN 51 24.006 -21.609 -7.127 393 HD22 ASN 51 2HD2 ASN 51 24.191 -22.311 -5.559 394 H LEU 52 H LEU 52 21.776 -16.403 -6.314 395 HA LEU 52 HA LEU 52 22.272 -16.040 -3.509 396 HB2 LEU 52 2HB LEU 52 23.134 -14.674 -5.557 397 HB3 LEU 52 3HB LEU 52 21.615 -13.800 -5.374 398 HG LEU 52 HG LEU 52 22.263 -13.186 -3.083 399 HD11 LEU 52 1HD1 LEU 52 23.662 -15.006 -2.450 400 HD12 LEU 52 2HD1 LEU 52 24.650 -13.545 -2.429 401 HD13 LEU 52 3HD1 LEU 52 24.784 -14.680 -3.772 402 HD21 LEU 52 3HD2 LEU 52 23.282 -11.361 -3.864 403 HD22 LEU 52 1HD2 LEU 52 23.182 -12.127 -5.450 404 HD23 LEU 52 2HD2 LEU 52 24.650 -12.285 -4.485 405 H LEU 53 H LEU 53 19.552 -15.634 -5.683 406 HA LEU 53 HA LEU 53 17.879 -14.109 -4.043 407 HB2 LEU 53 2HB LEU 53 17.453 -16.016 -6.289 408 HB3 LEU 53 3HB LEU 53 16.056 -15.495 -5.349 409 HG LEU 53 HG LEU 53 17.591 -13.203 -6.118 410 HD11 LEU 53 1HD1 LEU 53 17.159 -15.268 -8.212 411 HD12 LEU 53 2HD1 LEU 53 18.471 -14.106 -8.022 412 HD13 LEU 53 3HD1 LEU 53 16.904 -13.574 -8.631 413 HD21 LEU 53 3HD2 LEU 53 15.430 -12.657 -5.778 414 HD22 LEU 53 1HD2 LEU 53 14.838 -14.239 -6.286 415 HD23 LEU 53 2HD2 LEU 53 15.280 -13.033 -7.495 416 H LEU 54 H LEU 54 18.244 -17.629 -4.308 417 HA LEU 54 HA LEU 54 16.263 -18.223 -2.351 418 HB2 LEU 54 2HB LEU 54 18.554 -19.916 -3.336 419 HB3 LEU 54 3HB LEU 54 17.160 -20.492 -2.425 420 HG LEU 54 HG LEU 54 16.451 -19.111 -4.903 421 HD11 LEU 54 1HD1 LEU 54 17.266 -20.660 -6.453 422 HD12 LEU 54 2HD1 LEU 54 17.761 -21.794 -5.197 423 HD13 LEU 54 3HD1 LEU 54 18.655 -20.292 -5.429 424 HD21 LEU 54 3HD2 LEU 54 14.799 -20.301 -3.650 425 HD22 LEU 54 1HD2 LEU 54 15.782 -21.765 -3.643 426 HD23 LEU 54 2HD2 LEU 54 15.079 -21.182 -5.152 427 H HIS 55 H HIS 55 19.822 -18.226 -2.269 428 HA HIS 55 HA HIS 55 20.189 -18.978 0.369 429 HB2 HIS 55 2HB HIS 55 22.047 -18.786 -1.193 430 HB3 HIS 55 3HB HIS 55 21.826 -17.041 -1.281 431 HD1 HIS 55 HD1 HIS 55 22.744 -15.631 0.656 432 HD2 HIS 55 HD2 HIS 55 23.301 -19.719 1.150 433 HE1 HIS 55 HE1 HIS 55 24.353 -15.864 2.575 434 H LYS 56 H LYS 56 19.857 -15.683 -0.935 435 HA LYS 56 HA LYS 56 19.876 -14.472 1.660 436 HB2 LYS 56 2HB LYS 56 19.180 -13.420 -1.082 437 HB3 LYS 56 3HB LYS 56 19.141 -12.423 0.366 438 HG2 LYS 56 2HG LYS 56 21.618 -13.431 0.580 439 HG3 LYS 56 3HG LYS 56 21.436 -13.441 -1.176 440 HD2 LYS 56 2HD LYS 56 22.264 -11.327 -0.866 441 HD3 LYS 56 3HD LYS 56 20.533 -11.001 -0.757 442 HE2 LYS 56 2HE LYS 56 21.421 -9.870 1.075 443 HE3 LYS 56 3HE LYS 56 20.830 -11.380 1.767 444 HZ1 LYS 56 3HZ LYS 56 23.525 -10.383 1.566 445 HZ2 LYS 56 1HZ LYS 56 23.365 -11.999 1.091 446 HZ3 LYS 56 2HZ LYS 56 22.868 -11.518 2.635 447 H GLY 57 H GLY 57 17.485 -15.923 -0.334 448 HA2 GLY 57 2HA GLY 57 15.215 -14.519 0.678 449 HA3 GLY 57 3HA GLY 57 15.189 -16.045 -0.193 450 H LYS 58 H LYS 58 16.475 -17.786 1.347 451 HA LYS 58 HA LYS 58 14.645 -18.183 3.519 452 HB2 LYS 58 2HB LYS 58 15.283 -20.338 3.401 453 HB3 LYS 58 3HB LYS 58 16.097 -19.858 1.918 454 HG2 LYS 58 2HG LYS 58 17.406 -19.846 4.627 455 HG3 LYS 58 3HG LYS 58 17.492 -21.194 3.490 456 HD2 LYS 58 2HD LYS 58 18.174 -18.904 2.022 457 HD3 LYS 58 3HD LYS 58 19.029 -18.764 3.560 458 HE2 LYS 58 2HE LYS 58 20.510 -19.958 2.216 459 HE3 LYS 58 3HE LYS 58 19.711 -21.210 3.166 460 HZ1 LYS 58 3HZ LYS 58 18.599 -22.000 1.366 461 HZ2 LYS 58 1HZ LYS 58 19.971 -21.407 0.573 462 HZ3 LYS 58 2HZ LYS 58 18.541 -20.503 0.580 463 H GLU 59 H GLU 59 17.706 -16.709 3.169 464 HA GLU 59 HA GLU 59 18.610 -17.114 5.862 465 HB2 GLU 59 2HB GLU 59 20.254 -16.735 4.143 466 HB3 GLU 59 3HB GLU 59 19.499 -15.213 3.690 467 HG2 GLU 59 2HG GLU 59 21.525 -14.847 4.976 468 HG3 GLU 59 3HG GLU 59 20.107 -14.250 5.836 469 H VAL 60 H VAL 60 17.562 -14.185 4.110 470 HA VAL 60 HA VAL 60 17.411 -12.453 6.247 471 HB VAL 60 HB VAL 60 15.770 -11.161 4.961 472 HG11 VAL 60 1HG1 VAL 60 18.283 -12.181 3.862 473 HG12 VAL 60 2HG1 VAL 60 17.196 -11.488 2.657 474 HG13 VAL 60 3HG1 VAL 60 17.712 -10.522 4.041 475 HG21 VAL 60 3HG2 VAL 60 14.260 -12.650 4.041 476 HG22 VAL 60 1HG2 VAL 60 15.222 -12.192 2.636 477 HG23 VAL 60 2HG2 VAL 60 15.524 -13.728 3.449 478 H LEU 61 H LEU 61 15.183 -14.975 5.313 479 HA LEU 61 HA LEU 61 12.985 -14.141 6.891 480 HB2 LEU 61 2HB LEU 61 13.771 -16.534 5.384 481 HB3 LEU 61 3HB LEU 61 12.707 -16.845 6.754 482 HG LEU 61 HG LEU 61 11.084 -15.231 5.802 483 HD11 LEU 61 1HD1 LEU 61 11.490 -13.975 3.998 484 HD12 LEU 61 2HD1 LEU 61 12.282 -15.294 3.138 485 HD13 LEU 61 3HD1 LEU 61 13.188 -14.336 4.308 486 HD21 LEU 61 3HD2 LEU 61 11.032 -16.838 3.529 487 HD22 LEU 61 1HD2 LEU 61 10.214 -17.138 5.063 488 HD23 LEU 61 2HD2 LEU 61 11.811 -17.826 4.766 489 H GLU 62 H GLU 62 15.462 -16.644 7.461 490 HA GLU 62 HA GLU 62 14.627 -17.197 10.111 491 HB2 GLU 62 2HB GLU 62 16.759 -18.407 10.313 492 HB3 GLU 62 3HB GLU 62 15.913 -18.815 8.827 493 HG2 GLU 62 2HG GLU 62 17.386 -17.452 7.532 494 HG3 GLU 62 3HG GLU 62 18.144 -16.805 8.987 495 H TRP 63 H TRP 63 16.864 -14.903 8.714 496 HA TRP 63 HA TRP 63 18.096 -14.175 11.195 497 HB2 TRP 63 2HB TRP 63 18.807 -13.823 8.614 498 HB3 TRP 63 3HB TRP 63 18.113 -12.239 8.951 499 HD1 TRP 63 HD1 TRP 63 20.467 -14.518 11.054 500 HE1 TRP 63 HE1 TRP 63 22.457 -13.082 11.831 501 HE3 TRP 63 HE3 TRP 63 19.208 -10.102 8.806 502 HZ2 TRP 63 HZ2 TRP 63 23.371 -10.428 11.532 503 HZ3 TRP 63 HZ3 TRP 63 20.694 -8.163 9.102 504 HH2 TRP 63 HH2 TRP 63 22.732 -8.325 10.437 505 H ALA 64 H ALA 64 15.347 -13.063 9.337 506 HA ALA 64 HA ALA 64 14.955 -10.597 10.664 507 HB1 ALA 64 1HB ALA 64 13.254 -12.367 8.969 508 HB2 ALA 64 2HB ALA 64 12.511 -11.028 9.844 509 HB3 ALA 64 3HB ALA 64 13.798 -10.714 8.680 510 H GLU 65 H GLU 65 14.110 -13.885 11.453 511 HA GLU 65 HA GLU 65 12.192 -13.214 13.472 512 HB2 GLU 65 2HB GLU 65 13.657 -15.759 12.788 513 HB3 GLU 65 3HB GLU 65 12.534 -15.648 14.135 514 HG2 GLU 65 2HG GLU 65 10.953 -14.678 12.239 515 HG3 GLU 65 3HG GLU 65 12.013 -15.653 11.222 516 H HIS 66 H HIS 66 15.622 -13.438 13.326 517 HA HIS 66 HA HIS 66 16.155 -13.971 16.055 518 HB2 HIS 66 2HB HIS 66 17.665 -13.396 13.687 519 HB3 HIS 66 3HB HIS 66 18.248 -12.378 15.000 520 HD1 HIS 66 HD1 HIS 66 19.661 -13.475 16.773 521 HD2 HIS 66 HD2 HIS 66 17.878 -16.217 14.211 522 HE1 HIS 66 HE1 HIS 66 20.705 -15.694 17.330 523 H LEU 67 H LEU 67 16.067 -10.927 14.211 524 HA LEU 67 HA LEU 67 16.515 -9.278 16.484 525 HB2 LEU 67 2HB LEU 67 16.229 -7.459 15.056 526 HB3 LEU 67 3HB LEU 67 16.912 -8.720 14.032 527 HG LEU 67 HG LEU 67 14.295 -9.120 13.561 528 HD11 LEU 67 1HD1 LEU 67 13.031 -7.170 13.545 529 HD12 LEU 67 2HD1 LEU 67 14.444 -6.134 13.741 530 HD13 LEU 67 3HD1 LEU 67 13.866 -7.102 15.097 531 HD21 LEU 67 3HD2 LEU 67 16.302 -7.323 12.253 532 HD22 LEU 67 1HD2 LEU 67 14.678 -7.501 11.587 533 HD23 LEU 67 2HD2 LEU 67 15.726 -8.911 11.744 534 H ALA 68 H ALA 68 13.667 -10.571 14.924 535 HA ALA 68 HA ALA 68 11.745 -8.887 16.119 536 HB1 ALA 68 1HB ALA 68 11.744 -11.380 14.591 537 HB2 ALA 68 2HB ALA 68 10.410 -11.238 15.736 538 HB3 ALA 68 3HB ALA 68 10.654 -9.996 14.509 539 H GLU 69 H GLU 69 13.343 -11.821 17.200 540 HA GLU 69 HA GLU 69 11.642 -12.130 19.508 541 HB2 GLU 69 2HB GLU 69 14.144 -13.509 18.560 542 HB3 GLU 69 3HB GLU 69 13.449 -13.842 20.140 543 HG2 GLU 69 2HG GLU 69 11.473 -13.978 18.025 544 HG3 GLU 69 3HG GLU 69 12.814 -15.092 17.766 545 H TRP 70 H TRP 70 14.512 -10.416 18.717 546 HA TRP 70 HA TRP 70 15.943 -10.236 21.026 547 HB2 TRP 70 2HB TRP 70 16.512 -9.052 18.932 548 HB3 TRP 70 3HB TRP 70 15.215 -7.902 19.243 549 HD1 TRP 70 HD1 TRP 70 15.634 -6.044 21.099 550 HE1 TRP 70 HE1 TRP 70 17.772 -5.205 22.261 551 HE3 TRP 70 HE3 TRP 70 18.800 -9.848 19.819 552 HZ2 TRP 70 HZ2 TRP 70 20.447 -6.044 22.592 553 HZ3 TRP 70 HZ3 TRP 70 21.133 -9.754 20.598 554 HH2 TRP 70 HH2 TRP 70 21.937 -7.891 21.955 555 H ILE 71 H ILE 71 12.851 -8.712 20.328 556 HA ILE 71 HA ILE 71 12.642 -6.894 22.383 557 HB ILE 71 HB ILE 71 10.183 -7.325 22.336 558 HG12 ILE 71 2HG1 ILE 71 11.060 -9.556 20.502 559 HG13 ILE 71 3HG1 ILE 71 10.069 -9.675 21.952 560 HG21 ILE 71 1HG2 ILE 71 11.253 -7.195 19.536 561 HG22 ILE 71 2HG2 ILE 71 9.867 -6.356 20.231 562 HG23 ILE 71 3HG2 ILE 71 11.504 -5.882 20.686 563 HD11 ILE 71 3HD1 ILE 71 9.331 -8.803 19.212 564 HD12 ILE 71 1HD1 ILE 71 8.478 -9.864 20.333 565 HD13 ILE 71 2HD1 ILE 71 8.460 -8.118 20.585 566 H LEU 72 H LEU 72 11.973 -10.376 22.484 567 HA LEU 72 HA LEU 72 11.179 -10.370 25.226 568 HB2 LEU 72 2HB LEU 72 12.149 -12.704 23.590 569 HB3 LEU 72 3HB LEU 72 11.171 -12.763 25.055 570 HG LEU 72 HG LEU 72 9.779 -11.214 23.113 571 HD11 LEU 72 1HD1 LEU 72 9.809 -12.378 21.185 572 HD12 LEU 72 2HD1 LEU 72 10.060 -13.925 21.993 573 HD13 LEU 72 3HD1 LEU 72 11.422 -12.836 21.731 574 HD21 LEU 72 3HD2 LEU 72 8.043 -12.784 23.517 575 HD22 LEU 72 1HD2 LEU 72 8.905 -12.569 25.041 576 HD23 LEU 72 2HD2 LEU 72 9.189 -14.010 24.064 577 H GLU 73 H GLU 73 14.174 -11.121 23.503 578 HA GLU 73 HA GLU 73 15.680 -12.174 25.567 579 HB2 GLU 73 2HB GLU 73 16.185 -11.535 22.984 580 HB3 GLU 73 3HB GLU 73 17.095 -10.272 23.801 581 HG2 GLU 73 2HG GLU 73 18.726 -11.680 24.295 582 HG3 GLU 73 3HG GLU 73 17.597 -12.809 25.041 583 H HIS 74 H HIS 74 14.757 -8.865 24.965 584 HA HIS 74 HA HIS 74 15.065 -6.930 26.126 585 HB2 HIS 74 2HB HIS 74 14.133 -8.707 27.886 586 HB3 HIS 74 3HB HIS 74 15.702 -8.411 28.629 587 HD1 HIS 74 HD1 HIS 74 16.174 -5.917 29.394 588 HD2 HIS 74 HD2 HIS 74 12.261 -6.728 28.259 589 HE1 HIS 74 HE1 HIS 74 14.807 -4.000 30.277 Start of MODEL 8 1 H1 MET 1 H MET 1 3.225 -4.980 0.508 2 HA MET 1 HA MET 1 1.992 -6.173 -1.305 3 HB2 MET 1 2HB MET 1 -0.244 -5.271 -1.851 4 HB3 MET 1 3HB MET 1 -0.189 -6.011 -0.257 5 HG2 MET 1 2HG MET 1 -0.055 -3.829 0.784 6 HG3 MET 1 3HG MET 1 -0.022 -3.056 -0.800 7 HE1 MET 1 3HE MET 1 -1.755 -2.756 1.821 8 HE2 MET 1 1HE MET 1 -3.486 -2.904 1.520 9 HE3 MET 1 2HE MET 1 -2.562 -4.306 2.058 10 H GLY 2 H GLY 2 4.027 -4.261 -1.088 11 HA2 GLY 2 2HA GLY 2 3.410 -2.616 -3.447 12 HA3 GLY 2 3HA GLY 2 4.113 -1.851 -2.030 13 H THR 3 H THR 3 6.142 -3.115 -1.209 14 HA THR 3 HA THR 3 7.729 -4.253 -3.357 15 HB THR 3 HB THR 3 8.136 -1.883 -3.704 16 HG1 THR 3 HG1 THR 3 10.012 -2.862 -4.096 17 HG21 THR 3 3HG2 THR 3 8.992 -0.427 -2.016 18 HG22 THR 3 1HG2 THR 3 9.167 -1.757 -0.872 19 HG23 THR 3 2HG2 THR 3 7.559 -1.210 -1.349 20 H ILE 4 H ILE 4 9.521 -5.416 -2.637 21 HA ILE 4 HA ILE 4 9.352 -6.691 -0.198 22 HB ILE 4 HB ILE 4 11.850 -6.249 -1.838 23 HG12 ILE 4 2HG1 ILE 4 10.088 -7.300 -3.143 24 HG13 ILE 4 3HG1 ILE 4 11.327 -8.490 -2.759 25 HG21 ILE 4 1HG2 ILE 4 12.954 -7.346 -0.258 26 HG22 ILE 4 2HG2 ILE 4 11.483 -7.473 0.704 27 HG23 ILE 4 3HG2 ILE 4 11.877 -8.726 -0.473 28 HD11 ILE 4 3HD1 ILE 4 9.743 -9.806 -1.966 29 HD12 ILE 4 1HD1 ILE 4 9.439 -8.627 -0.691 30 HD13 ILE 4 2HD1 ILE 4 8.530 -8.548 -2.200 31 H ASP 5 H ASP 5 11.316 -3.871 -1.067 32 HA ASP 5 HA ASP 5 12.795 -3.574 1.245 33 HB2 ASP 5 2HB ASP 5 11.603 -1.445 -0.540 34 HB3 ASP 5 3HB ASP 5 12.807 -1.126 0.705 35 H ASP 6 H ASP 6 9.421 -2.906 0.688 36 HA ASP 6 HA ASP 6 8.923 -1.246 2.902 37 HB2 ASP 6 2HB ASP 6 7.398 -1.834 0.889 38 HB3 ASP 6 3HB ASP 6 6.906 -3.218 1.861 39 H ALA 7 H ALA 7 9.040 -4.747 2.559 40 HA ALA 7 HA ALA 7 7.952 -5.430 5.060 41 HB1 ALA 7 1HB ALA 7 9.745 -6.836 3.122 42 HB2 ALA 7 2HB ALA 7 9.396 -7.551 4.697 43 HB3 ALA 7 3HB ALA 7 8.080 -7.201 3.576 44 H PHE 8 H PHE 8 11.316 -4.908 4.044 45 HA PHE 8 HA PHE 8 12.474 -5.483 6.555 46 HB2 PHE 8 2HB PHE 8 13.629 -3.628 4.472 47 HB3 PHE 8 3HB PHE 8 14.501 -4.591 5.660 48 HD1 PHE 8 HD2 PHE 8 13.232 -7.210 5.388 49 HD2 PHE 8 HD1 PHE 8 14.347 -4.381 2.410 50 HE1 PHE 8 HE2 PHE 8 13.455 -9.030 3.749 51 HE2 PHE 8 HE1 PHE 8 14.571 -6.197 0.765 52 HZ PHE 8 HZ PHE 8 14.126 -8.525 1.434 53 H ARG 9 H ARG 9 11.096 -2.586 5.167 54 HA ARG 9 HA ARG 9 12.109 -0.831 7.205 55 HB2 ARG 9 2HB ARG 9 10.018 -0.486 5.055 56 HB3 ARG 9 3HB ARG 9 10.451 0.789 6.187 57 HG2 ARG 9 2HG ARG 9 12.667 0.905 5.340 58 HG3 ARG 9 3HG ARG 9 12.442 -0.562 4.385 59 HD2 ARG 9 2HD ARG 9 12.325 1.583 3.088 60 HD3 ARG 9 3HD ARG 9 10.923 0.527 2.918 61 HE ARG 9 HE ARG 9 10.548 2.439 4.992 62 HH11 ARG 9 2HH1 ARG 9 10.503 2.035 1.535 63 HH12 ARG 9 1HH1 ARG 9 9.381 3.328 1.267 64 HH21 ARG 9 2HH2 ARG 9 9.070 4.143 4.653 65 HH22 ARG 9 1HH2 ARG 9 8.568 4.527 3.042 66 H ALA 10 H ALA 10 9.176 -2.664 6.649 67 HA ALA 10 HA ALA 10 7.681 -1.413 8.750 68 HB1 ALA 10 1HB ALA 10 7.205 -3.395 6.706 69 HB2 ALA 10 2HB ALA 10 6.523 -3.895 8.255 70 HB3 ALA 10 3HB ALA 10 6.062 -2.347 7.546 71 H ILE 11 H ILE 11 9.917 -4.053 8.523 72 HA ILE 11 HA ILE 11 9.262 -5.634 10.678 73 HB ILE 11 HB ILE 11 11.245 -5.810 8.998 74 HG12 ILE 11 2HG1 ILE 11 12.188 -6.711 11.642 75 HG13 ILE 11 3HG1 ILE 11 10.536 -7.177 11.250 76 HG21 ILE 11 1HG2 ILE 11 13.320 -4.979 9.639 77 HG22 ILE 11 2HG2 ILE 11 12.223 -3.647 9.995 78 HG23 ILE 11 3HG2 ILE 11 12.800 -4.686 11.298 79 HD11 ILE 11 3HD1 ILE 11 11.754 -8.962 10.471 80 HD12 ILE 11 1HD1 ILE 11 11.570 -7.983 9.016 81 HD13 ILE 11 2HD1 ILE 11 13.087 -7.949 9.917 82 H GLU 12 H GLU 12 10.607 -2.424 10.664 83 HA GLU 12 HA GLU 12 11.698 -2.288 13.220 84 HB2 GLU 12 2HB GLU 12 11.729 -0.537 11.340 85 HB3 GLU 12 3HB GLU 12 10.172 -0.015 11.968 86 HG2 GLU 12 2HG GLU 12 11.735 -0.101 14.220 87 HG3 GLU 12 3HG GLU 12 12.855 0.463 12.982 88 H ARG 13 H ARG 13 8.361 -2.119 12.161 89 HA ARG 13 HA ARG 13 7.316 -1.241 14.673 90 HB2 ARG 13 2HB ARG 13 6.325 -1.475 12.098 91 HB3 ARG 13 3HB ARG 13 5.453 -2.720 12.983 92 HG2 ARG 13 2HG ARG 13 4.056 -1.135 13.648 93 HG3 ARG 13 3HG ARG 13 5.366 -0.493 14.641 94 HD2 ARG 13 2HD ARG 13 5.827 1.196 13.183 95 HD3 ARG 13 3HD ARG 13 5.331 0.259 11.774 96 HE ARG 13 HE ARG 13 3.097 0.867 13.404 97 HH11 ARG 13 2HH1 ARG 13 5.315 2.301 11.136 98 HH12 ARG 13 1HH1 ARG 13 4.193 3.509 10.602 99 HH21 ARG 13 2HH2 ARG 13 1.611 2.452 12.710 100 HH22 ARG 13 1HH2 ARG 13 2.086 3.594 11.499 101 H ALA 14 H ALA 14 7.916 -4.348 13.164 102 HA ALA 14 HA ALA 14 6.411 -5.974 14.882 103 HB1 ALA 14 1HB ALA 14 8.143 -6.361 12.725 104 HB2 ALA 14 2HB ALA 14 8.841 -7.279 14.060 105 HB3 ALA 14 3HB ALA 14 7.178 -7.582 13.556 106 H ILE 15 H ILE 15 9.851 -5.063 15.036 107 HA ILE 15 HA ILE 15 10.375 -6.406 17.467 108 HB ILE 15 HB ILE 15 12.163 -5.736 15.924 109 HG12 ILE 15 2HG1 ILE 15 12.883 -4.172 18.326 110 HG13 ILE 15 3HG1 ILE 15 12.268 -5.792 18.636 111 HG21 ILE 15 1HG2 ILE 15 11.234 -3.581 15.234 112 HG22 ILE 15 2HG2 ILE 15 11.561 -2.926 16.838 113 HG23 ILE 15 3HG2 ILE 15 12.897 -3.415 15.795 114 HD11 ILE 15 3HD1 ILE 15 14.020 -6.416 16.759 115 HD12 ILE 15 1HD1 ILE 15 14.780 -4.930 17.329 116 HD13 ILE 15 2HD1 ILE 15 14.478 -6.255 18.454 117 H GLN 16 H GLN 16 9.210 -3.187 16.710 118 HA GLN 16 HA GLN 16 9.600 -1.957 19.188 119 HB2 GLN 16 2HB GLN 16 7.976 -1.472 16.798 120 HB3 GLN 16 3HB GLN 16 7.254 -0.850 18.276 121 HG2 GLN 16 2HG GLN 16 10.117 -0.262 17.819 122 HG3 GLN 16 3HG GLN 16 8.945 0.562 16.793 123 HE21 GLN 16 1HE2 GLN 16 10.761 1.166 19.270 124 HE22 GLN 16 2HE2 GLN 16 9.729 2.146 20.249 125 H ALA 17 H ALA 17 7.341 -4.368 18.199 126 HA ALA 17 HA ALA 17 5.216 -4.016 19.920 127 HB1 ALA 17 1HB ALA 17 5.217 -5.735 18.222 128 HB2 ALA 17 2HB ALA 17 6.499 -6.607 19.064 129 HB3 ALA 17 3HB ALA 17 4.903 -6.459 19.800 130 H GLU 18 H GLU 18 8.216 -5.830 20.565 131 HA GLU 18 HA GLU 18 9.274 -6.377 22.504 132 HB2 GLU 18 2HB GLU 18 7.563 -4.293 23.855 133 HB3 GLU 18 3HB GLU 18 9.140 -4.881 24.361 134 HG2 GLU 18 2HG GLU 18 9.452 -3.874 21.753 135 HG3 GLU 18 3HG GLU 18 8.495 -2.695 22.648 136 H ASN 19 H ASN 19 7.688 -8.277 22.024 137 HA ASN 19 HA ASN 19 6.470 -9.992 22.889 138 HB2 ASN 19 2HB ASN 19 8.033 -9.483 24.866 139 HB3 ASN 19 3HB ASN 19 6.649 -8.668 25.589 140 HD21 ASN 19 1HD2 ASN 19 7.476 -11.737 24.015 141 HD22 ASN 19 2HD2 ASN 19 6.545 -12.729 25.080 142 H GLU 20 H GLU 20 4.456 -9.878 22.106 143 HA GLU 20 HA GLU 20 2.407 -8.649 23.744 144 HB2 GLU 20 2HB GLU 20 3.083 -7.688 20.982 145 HB3 GLU 20 3HB GLU 20 1.434 -7.581 21.583 146 HG2 GLU 20 2HG GLU 20 3.879 -6.292 22.768 147 HG3 GLU 20 3HG GLU 20 2.545 -5.490 21.940 148 H GLY 21 H GLY 21 3.127 -10.282 20.670 149 HA2 GLY 21 2HA GLY 21 2.161 -12.619 20.627 150 HA3 GLY 21 3HA GLY 21 0.639 -11.834 21.021 151 H ARG 22 H ARG 22 1.275 -9.528 19.272 152 HA ARG 22 HA ARG 22 0.216 -10.655 16.840 153 HB2 ARG 22 2HB ARG 22 -0.111 -8.404 16.121 154 HB3 ARG 22 3HB ARG 22 -0.528 -8.464 17.829 155 HG2 ARG 22 2HG ARG 22 1.816 -7.631 18.292 156 HG3 ARG 22 3HG ARG 22 1.935 -7.310 16.561 157 HD2 ARG 22 2HD ARG 22 -0.530 -6.255 17.543 158 HD3 ARG 22 3HD ARG 22 0.788 -5.687 18.567 159 HE ARG 22 HE ARG 22 0.231 -4.875 15.897 160 HH11 ARG 22 2HH1 ARG 22 2.819 -5.442 18.156 161 HH12 ARG 22 1HH1 ARG 22 3.903 -4.324 17.395 162 HH21 ARG 22 2HH2 ARG 22 1.648 -3.400 14.887 163 HH22 ARG 22 1HH2 ARG 22 3.235 -3.162 15.537 164 H TYR 23 H TYR 23 3.303 -9.737 18.039 165 HA TYR 23 HA TYR 23 4.699 -9.003 15.778 166 HB2 TYR 23 2HB TYR 23 6.683 -9.637 16.918 167 HB3 TYR 23 3HB TYR 23 5.551 -9.129 18.167 168 HD1 TYR 23 HD2 TYR 23 4.099 -11.095 19.189 169 HD2 TYR 23 HD1 TYR 23 7.834 -11.616 17.221 170 HE1 TYR 23 HE2 TYR 23 4.399 -13.246 20.342 171 HE2 TYR 23 HE1 TYR 23 8.145 -13.770 18.367 172 HH TYR 23 HH TYR 23 6.549 -15.543 19.416 173 H ARG 24 H ARG 24 3.498 -12.137 16.690 174 HA ARG 24 HA ARG 24 5.094 -13.640 14.860 175 HB2 ARG 24 2HB ARG 24 3.628 -15.499 15.397 176 HB3 ARG 24 3HB ARG 24 4.068 -14.642 16.868 177 HG2 ARG 24 2HG ARG 24 1.873 -14.782 17.300 178 HG3 ARG 24 3HG ARG 24 1.773 -13.375 16.239 179 HD2 ARG 24 2HD ARG 24 0.918 -14.582 14.491 180 HD3 ARG 24 3HD ARG 24 1.691 -16.080 15.008 181 HE ARG 24 HE ARG 24 -0.926 -15.217 15.661 182 HH11 ARG 24 2HH1 ARG 24 1.837 -16.865 16.991 183 HH12 ARG 24 1HH1 ARG 24 0.904 -17.798 18.114 184 HH21 ARG 24 2HH2 ARG 24 -2.165 -16.439 17.135 185 HH22 ARG 24 1HH2 ARG 24 -1.373 -17.555 18.194 186 H GLU 25 H GLU 25 1.903 -12.155 14.755 187 HA GLU 25 HA GLU 25 1.201 -13.291 12.219 188 HB2 GLU 25 2HB GLU 25 -0.828 -12.291 12.502 189 HB3 GLU 25 3HB GLU 25 -0.283 -12.247 14.173 190 HG2 GLU 25 2HG GLU 25 0.701 -9.922 13.445 191 HG3 GLU 25 3HG GLU 25 -0.543 -10.041 12.202 192 H ALA 26 H ALA 26 2.986 -10.540 13.276 193 HA ALA 26 HA ALA 26 2.699 -8.998 10.879 194 HB1 ALA 26 1HB ALA 26 4.740 -7.787 11.863 195 HB2 ALA 26 2HB ALA 26 3.222 -7.723 12.759 196 HB3 ALA 26 3HB ALA 26 4.500 -8.825 13.269 197 H LEU 27 H LEU 27 5.190 -11.161 12.184 198 HA LEU 27 HA LEU 27 7.118 -10.827 10.204 199 HB2 LEU 27 2HB LEU 27 6.406 -13.107 12.011 200 HB3 LEU 27 3HB LEU 27 7.684 -13.280 10.809 201 HG LEU 27 HG LEU 27 7.636 -11.277 13.067 202 HD11 LEU 27 1HD1 LEU 27 8.197 -13.957 13.202 203 HD12 LEU 27 2HD1 LEU 27 8.790 -12.724 14.313 204 HD13 LEU 27 3HD1 LEU 27 9.789 -13.238 12.954 205 HD21 LEU 27 3HD2 LEU 27 9.338 -11.602 10.672 206 HD22 LEU 27 1HD2 LEU 27 10.168 -11.284 12.195 207 HD23 LEU 27 2HD2 LEU 27 8.949 -10.155 11.604 208 H LYS 28 H LYS 28 4.137 -12.624 10.176 209 HA LYS 28 HA LYS 28 4.595 -14.386 8.071 210 HB2 LYS 28 2HB LYS 28 2.483 -13.872 9.665 211 HB3 LYS 28 3HB LYS 28 1.929 -13.096 8.187 212 HG2 LYS 28 2HG LYS 28 3.037 -15.770 7.780 213 HG3 LYS 28 3HG LYS 28 1.600 -15.727 8.804 214 HD2 LYS 28 2HD LYS 28 1.279 -14.012 6.506 215 HD3 LYS 28 3HD LYS 28 1.693 -15.655 6.012 216 HE2 LYS 28 2HE LYS 28 -0.133 -16.277 7.816 217 HE3 LYS 28 3HE LYS 28 -0.700 -14.645 7.466 218 HZ1 LYS 28 3HZ LYS 28 -1.816 -15.695 5.842 219 HZ2 LYS 28 1HZ LYS 28 -0.769 -17.023 5.808 220 HZ3 LYS 28 2HZ LYS 28 -0.350 -15.596 5.004 221 H HIS 29 H HIS 29 3.937 -10.957 8.054 222 HA HIS 29 HA HIS 29 3.357 -10.790 5.256 223 HB2 HIS 29 2HB HIS 29 3.160 -9.072 7.459 224 HB3 HIS 29 3HB HIS 29 4.340 -8.315 6.393 225 HD1 HIS 29 HD1 HIS 29 0.728 -9.082 6.713 226 HD2 HIS 29 HD2 HIS 29 3.319 -7.526 3.862 227 HE1 HIS 29 HE1 HIS 29 -0.746 -8.029 4.968 228 H PHE 30 H PHE 30 6.228 -10.508 7.247 229 HA PHE 30 HA PHE 30 7.880 -9.517 5.110 230 HB2 PHE 30 2HB PHE 30 8.775 -10.728 7.729 231 HB3 PHE 30 3HB PHE 30 9.701 -9.664 6.676 232 HD1 PHE 30 HD1 PHE 30 7.723 -7.579 6.065 233 HD2 PHE 30 HD2 PHE 30 8.593 -9.568 9.726 234 HE1 PHE 30 HE1 PHE 30 6.903 -5.626 7.317 235 HE2 PHE 30 HE2 PHE 30 7.774 -7.619 10.984 236 HZ PHE 30 HZ PHE 30 6.927 -5.645 9.780 237 H LEU 31 H LEU 31 7.201 -12.631 6.591 238 HA LEU 31 HA LEU 31 9.255 -14.151 5.500 239 HB2 LEU 31 2HB LEU 31 6.748 -14.619 6.803 240 HB3 LEU 31 3HB LEU 31 6.931 -15.744 5.460 241 HG LEU 31 HG LEU 31 8.992 -16.590 6.398 242 HD11 LEU 31 1HD1 LEU 31 10.243 -15.321 7.712 243 HD12 LEU 31 2HD1 LEU 31 9.030 -15.470 8.983 244 HD13 LEU 31 3HD1 LEU 31 8.951 -14.128 7.841 245 HD21 LEU 31 3HD2 LEU 31 6.754 -16.423 8.412 246 HD22 LEU 31 1HD2 LEU 31 8.107 -17.551 8.500 247 HD23 LEU 31 2HD2 LEU 31 6.965 -17.648 7.160 248 H ASP 32 H ASP 32 6.229 -13.074 4.077 249 HA ASP 32 HA ASP 32 6.420 -14.679 1.730 250 HB2 ASP 32 2HB ASP 32 4.329 -13.549 2.704 251 HB3 ASP 32 3HB ASP 32 4.910 -12.079 1.926 252 H GLY 33 H GLY 33 7.944 -11.795 2.757 253 HA2 GLY 33 2HA GLY 33 8.396 -10.557 0.253 254 HA3 GLY 33 3HA GLY 33 9.343 -10.303 1.711 255 H GLY 34 H GLY 34 10.214 -12.992 2.063 256 HA2 GLY 34 2HA GLY 34 12.403 -12.978 0.185 257 HA3 GLY 34 3HA GLY 34 12.186 -14.088 1.530 258 H GLU 35 H GLU 35 9.461 -14.807 0.628 259 HA GLU 35 HA GLU 35 10.167 -17.027 -0.982 260 HB2 GLU 35 2HB GLU 35 7.407 -15.921 -0.438 261 HB3 GLU 35 3HB GLU 35 7.788 -17.542 -1.003 262 HG2 GLU 35 2HG GLU 35 9.152 -16.841 1.472 263 HG3 GLU 35 3HG GLU 35 7.395 -16.795 1.602 264 H MET 36 H MET 36 9.375 -13.802 -1.737 265 HA MET 36 HA MET 36 8.178 -14.170 -4.275 266 HB2 MET 36 2HB MET 36 9.654 -11.856 -3.029 267 HB3 MET 36 3HB MET 36 8.972 -11.775 -4.648 268 HG2 MET 36 2HG MET 36 7.112 -12.708 -2.587 269 HG3 MET 36 3HG MET 36 7.683 -11.054 -2.375 270 HE1 MET 36 3HE MET 36 4.423 -10.015 -3.820 271 HE2 MET 36 1HE MET 36 5.366 -10.391 -2.378 272 HE3 MET 36 2HE MET 36 5.904 -9.120 -3.476 273 H ILE 37 H ILE 37 11.533 -13.608 -3.265 274 HA ILE 37 HA ILE 37 12.527 -13.738 -5.962 275 HB ILE 37 HB ILE 37 13.563 -12.457 -3.973 276 HG12 ILE 37 2HG1 ILE 37 15.513 -14.135 -5.537 277 HG13 ILE 37 3HG1 ILE 37 14.525 -12.907 -6.320 278 HG21 ILE 37 1HG2 ILE 37 14.877 -13.547 -2.447 279 HG22 ILE 37 2HG2 ILE 37 13.611 -14.750 -2.690 280 HG23 ILE 37 3HG2 ILE 37 15.161 -14.924 -3.511 281 HD11 ILE 37 3HD1 ILE 37 15.629 -11.598 -4.150 282 HD12 ILE 37 1HD1 ILE 37 16.931 -12.624 -4.751 283 HD13 ILE 37 2HD1 ILE 37 16.143 -11.475 -5.833 284 H VAL 38 H VAL 38 11.973 -15.965 -3.368 285 HA VAL 38 HA VAL 38 13.761 -18.010 -4.129 286 HB VAL 38 HB VAL 38 11.118 -18.237 -2.681 287 HG11 VAL 38 1HG1 VAL 38 13.242 -20.210 -3.343 288 HG12 VAL 38 2HG1 VAL 38 12.454 -20.325 -1.768 289 HG13 VAL 38 3HG1 VAL 38 11.493 -20.419 -3.244 290 HG21 VAL 38 3HG2 VAL 38 13.574 -17.084 -1.895 291 HG22 VAL 38 1HG2 VAL 38 12.145 -17.385 -0.907 292 HG23 VAL 38 2HG2 VAL 38 13.411 -18.607 -1.021 293 H THR 39 H THR 39 10.278 -17.624 -4.780 294 HA THR 39 HA THR 39 9.885 -19.875 -6.337 295 HB THR 39 HB THR 39 8.000 -18.544 -5.641 296 HG1 THR 39 HG1 THR 39 7.581 -19.676 -7.520 297 HG21 THR 39 3HG2 THR 39 7.541 -16.354 -6.788 298 HG22 THR 39 1HG2 THR 39 9.195 -16.402 -7.396 299 HG23 THR 39 2HG2 THR 39 8.895 -16.330 -5.659 300 H ALA 40 H ALA 40 11.401 -16.845 -7.170 301 HA ALA 40 HA ALA 40 11.327 -17.170 -9.992 302 HB1 ALA 40 1HB ALA 40 13.588 -15.619 -9.177 303 HB2 ALA 40 2HB ALA 40 12.087 -15.087 -9.937 304 HB3 ALA 40 3HB ALA 40 12.195 -15.199 -8.180 305 H ALA 41 H ALA 41 13.581 -18.145 -7.476 306 HA ALA 41 HA ALA 41 15.635 -18.990 -9.280 307 HB1 ALA 41 1HB ALA 41 15.225 -18.916 -6.393 308 HB2 ALA 41 2HB ALA 41 16.121 -20.333 -6.941 309 HB3 ALA 41 3HB ALA 41 16.703 -18.716 -7.336 310 H GLU 42 H GLU 42 12.969 -20.567 -7.593 311 HA GLU 42 HA GLU 42 13.693 -23.225 -8.224 312 HB2 GLU 42 2HB GLU 42 10.982 -22.035 -7.612 313 HB3 GLU 42 3HB GLU 42 11.325 -23.757 -7.687 314 HG2 GLU 42 2HG GLU 42 13.127 -23.211 -5.901 315 HG3 GLU 42 3HG GLU 42 12.177 -21.747 -5.655 316 H LYS 43 H LYS 43 11.453 -20.944 -9.774 317 HA LYS 43 HA LYS 43 10.685 -22.700 -11.862 318 HB2 LYS 43 2HB LYS 43 10.174 -19.955 -11.082 319 HB3 LYS 43 3HB LYS 43 10.381 -20.092 -12.823 320 HG2 LYS 43 2HG LYS 43 8.494 -21.328 -13.094 321 HG3 LYS 43 3HG LYS 43 8.611 -22.063 -11.493 322 HD2 LYS 43 2HD LYS 43 7.413 -20.423 -10.518 323 HD3 LYS 43 3HD LYS 43 8.166 -19.158 -11.492 324 HE2 LYS 43 2HE LYS 43 6.732 -20.324 -13.403 325 HE3 LYS 43 3HE LYS 43 5.739 -20.785 -12.021 326 HZ1 LYS 43 3HZ LYS 43 6.448 -18.051 -11.852 327 HZ2 LYS 43 1HZ LYS 43 4.908 -18.749 -11.928 328 HZ3 LYS 43 2HZ LYS 43 5.733 -18.364 -13.353 329 H GLU 44 H GLU 44 13.413 -20.627 -11.377 330 HA GLU 44 HA GLU 44 14.184 -20.735 -14.185 331 HB2 GLU 44 2HB GLU 44 15.326 -19.344 -11.771 332 HB3 GLU 44 3HB GLU 44 16.199 -19.421 -13.295 333 HG2 GLU 44 2HG GLU 44 13.480 -18.201 -12.875 334 HG3 GLU 44 3HG GLU 44 14.997 -17.324 -13.071 335 H ALA 45 H ALA 45 16.804 -20.994 -14.272 336 HA ALA 45 HA ALA 45 17.937 -22.995 -12.623 337 HB1 ALA 45 1HB ALA 45 18.033 -24.675 -14.654 338 HB2 ALA 45 2HB ALA 45 16.686 -24.685 -13.515 339 HB3 ALA 45 3HB ALA 45 16.514 -23.884 -15.077 340 H SER 46 H SER 46 17.880 -21.596 -15.878 341 HA SER 46 HA SER 46 20.772 -21.858 -16.101 342 HB2 SER 46 2HB SER 46 18.595 -21.007 -17.996 343 HB3 SER 46 3HB SER 46 20.292 -20.706 -18.369 344 HG SER 46 HG SER 46 20.397 -22.701 -18.982 345 H GLN 47 H GLN 47 20.601 -20.325 -14.063 346 HA GLN 47 HA GLN 47 21.293 -17.669 -15.049 347 HB2 GLN 47 2HB GLN 47 18.807 -17.937 -14.148 348 HB3 GLN 47 3HB GLN 47 19.609 -17.759 -12.593 349 HG2 GLN 47 2HG GLN 47 18.889 -15.609 -13.247 350 HG3 GLN 47 3HG GLN 47 20.638 -15.651 -13.469 351 HE21 GLN 47 1HE2 GLN 47 17.598 -15.215 -14.951 352 HE22 GLN 47 2HE2 GLN 47 18.162 -14.942 -16.561 353 H LYS 48 H LYS 48 22.951 -16.743 -13.964 354 HA LYS 48 HA LYS 48 24.383 -18.364 -12.075 355 HB2 LYS 48 2HB LYS 48 24.997 -15.530 -12.920 356 HB3 LYS 48 3HB LYS 48 26.109 -16.691 -12.206 357 HG2 LYS 48 2HG LYS 48 25.397 -18.085 -14.362 358 HG3 LYS 48 3HG LYS 48 25.133 -16.455 -14.987 359 HD2 LYS 48 2HD LYS 48 27.677 -17.130 -13.563 360 HD3 LYS 48 3HD LYS 48 27.464 -17.572 -15.259 361 HE2 LYS 48 2HE LYS 48 27.742 -15.463 -15.945 362 HE3 LYS 48 3HE LYS 48 26.667 -14.830 -14.700 363 HZ1 LYS 48 3HZ LYS 48 28.887 -15.565 -13.318 364 HZ2 LYS 48 1HZ LYS 48 28.504 -13.989 -13.801 365 HZ3 LYS 48 2HZ LYS 48 29.530 -14.939 -14.752 366 H VAL 49 H VAL 49 22.347 -15.526 -11.953 367 HA VAL 49 HA VAL 49 23.019 -14.839 -9.248 368 HB VAL 49 HB VAL 49 21.192 -13.240 -9.373 369 HG11 VAL 49 1HG1 VAL 49 23.035 -13.417 -11.731 370 HG12 VAL 49 2HG1 VAL 49 21.916 -12.065 -11.542 371 HG13 VAL 49 3HG1 VAL 49 23.143 -12.375 -10.313 372 HG21 VAL 49 3HG2 VAL 49 20.319 -14.998 -11.547 373 HG22 VAL 49 1HG2 VAL 49 19.380 -13.938 -10.495 374 HG23 VAL 49 2HG2 VAL 49 20.195 -13.277 -11.912 375 H ARG 50 H ARG 50 20.583 -16.786 -10.836 376 HA ARG 50 HA ARG 50 18.613 -17.058 -8.986 377 HB2 ARG 50 2HB ARG 50 18.457 -18.261 -11.039 378 HB3 ARG 50 3HB ARG 50 19.917 -19.177 -10.689 379 HG2 ARG 50 2HG ARG 50 17.980 -19.573 -8.609 380 HG3 ARG 50 3HG ARG 50 17.272 -19.921 -10.188 381 HD2 ARG 50 2HD ARG 50 18.201 -21.948 -9.857 382 HD3 ARG 50 3HD ARG 50 19.653 -21.147 -10.457 383 HE ARG 50 HE ARG 50 19.660 -20.722 -7.747 384 HH11 ARG 50 2HH1 ARG 50 19.607 -23.500 -9.844 385 HH12 ARG 50 1HH1 ARG 50 20.458 -24.519 -8.732 386 HH21 ARG 50 2HH2 ARG 50 20.781 -22.054 -6.273 387 HH22 ARG 50 1HH2 ARG 50 21.124 -23.696 -6.700 388 H ASN 51 H ASN 51 21.827 -18.499 -8.860 389 HA ASN 51 HA ASN 51 21.378 -20.165 -6.626 390 HB2 ASN 51 2HB ASN 51 23.290 -20.551 -8.044 391 HB3 ASN 51 3HB ASN 51 23.919 -18.939 -7.714 392 HD21 ASN 51 1HD2 ASN 51 23.159 -22.040 -6.231 393 HD22 ASN 51 2HD2 ASN 51 24.340 -21.934 -4.975 394 H LEU 52 H LEU 52 22.755 -16.899 -6.898 395 HA LEU 52 HA LEU 52 23.161 -16.567 -4.108 396 HB2 LEU 52 2HB LEU 52 24.311 -15.289 -5.926 397 HB3 LEU 52 3HB LEU 52 22.804 -14.411 -6.182 398 HG LEU 52 HG LEU 52 24.608 -13.255 -4.813 399 HD11 LEU 52 1HD1 LEU 52 22.250 -13.352 -3.072 400 HD12 LEU 52 2HD1 LEU 52 21.903 -13.064 -4.777 401 HD13 LEU 52 3HD1 LEU 52 22.996 -11.988 -3.906 402 HD21 LEU 52 3HD2 LEU 52 23.643 -14.686 -2.421 403 HD22 LEU 52 1HD2 LEU 52 25.230 -14.004 -2.778 404 HD23 LEU 52 2HD2 LEU 52 24.771 -15.568 -3.451 405 H LEU 53 H LEU 53 20.472 -15.975 -6.258 406 HA LEU 53 HA LEU 53 18.944 -14.242 -4.709 407 HB2 LEU 53 2HB LEU 53 18.349 -16.274 -6.793 408 HB3 LEU 53 3HB LEU 53 17.002 -15.636 -5.854 409 HG LEU 53 HG LEU 53 17.090 -13.600 -6.854 410 HD11 LEU 53 1HD1 LEU 53 19.221 -12.692 -7.880 411 HD12 LEU 53 2HD1 LEU 53 20.051 -14.045 -7.112 412 HD13 LEU 53 3HD1 LEU 53 19.201 -12.857 -6.124 413 HD21 LEU 53 3HD2 LEU 53 17.311 -13.845 -9.168 414 HD22 LEU 53 1HD2 LEU 53 16.949 -15.473 -8.594 415 HD23 LEU 53 2HD2 LEU 53 18.605 -15.034 -9.012 416 H LEU 54 H LEU 54 19.214 -17.761 -4.585 417 HA LEU 54 HA LEU 54 17.197 -18.058 -2.570 418 HB2 LEU 54 2HB LEU 54 19.342 -19.978 -3.464 419 HB3 LEU 54 3HB LEU 54 17.952 -20.380 -2.458 420 HG LEU 54 HG LEU 54 17.133 -19.185 -4.964 421 HD11 LEU 54 1HD1 LEU 54 18.284 -21.870 -5.421 422 HD12 LEU 54 2HD1 LEU 54 19.409 -20.512 -5.388 423 HD13 LEU 54 3HD1 LEU 54 18.069 -20.518 -6.534 424 HD21 LEU 54 3HD2 LEU 54 15.466 -20.329 -3.895 425 HD22 LEU 54 1HD2 LEU 54 16.551 -21.594 -3.317 426 HD23 LEU 54 2HD2 LEU 54 16.035 -21.579 -5.004 427 H HIS 55 H HIS 55 20.749 -18.291 -2.580 428 HA HIS 55 HA HIS 55 21.177 -18.845 0.087 429 HB2 HIS 55 2HB HIS 55 22.895 -18.676 -1.788 430 HB3 HIS 55 3HB HIS 55 22.906 -16.941 -1.489 431 HD1 HIS 55 HD1 HIS 55 23.337 -16.441 1.270 432 HD2 HIS 55 HD2 HIS 55 24.859 -19.915 -0.427 433 HE1 HIS 55 HE1 HIS 55 25.168 -17.199 2.818 434 H LYS 56 H LYS 56 20.709 -15.686 -1.449 435 HA LYS 56 HA LYS 56 21.016 -14.218 0.986 436 HB2 LYS 56 2HB LYS 56 20.445 -13.624 -1.830 437 HB3 LYS 56 3HB LYS 56 19.630 -12.550 -0.701 438 HG2 LYS 56 2HG LYS 56 21.958 -12.314 0.393 439 HG3 LYS 56 3HG LYS 56 22.558 -12.957 -1.138 440 HD2 LYS 56 2HD LYS 56 22.289 -10.986 -2.138 441 HD3 LYS 56 3HD LYS 56 20.609 -10.888 -1.605 442 HE2 LYS 56 2HE LYS 56 21.195 -9.812 0.397 443 HE3 LYS 56 3HE LYS 56 22.892 -10.262 0.242 444 HZ1 LYS 56 3HZ LYS 56 22.215 -8.775 -2.011 445 HZ2 LYS 56 1HZ LYS 56 23.248 -8.330 -0.747 446 HZ3 LYS 56 2HZ LYS 56 21.605 -7.937 -0.674 447 H GLY 57 H GLY 57 18.359 -15.727 -0.687 448 HA2 GLY 57 2HA GLY 57 16.271 -14.335 0.673 449 HA3 GLY 57 3HA GLY 57 16.104 -15.833 -0.230 450 H LYS 58 H LYS 58 17.638 -17.599 1.088 451 HA LYS 58 HA LYS 58 16.062 -18.312 3.297 452 HB2 LYS 58 2HB LYS 58 17.823 -20.022 3.726 453 HB3 LYS 58 3HB LYS 58 17.250 -20.002 2.064 454 HG2 LYS 58 2HG LYS 58 19.517 -20.183 1.769 455 HG3 LYS 58 3HG LYS 58 19.292 -18.435 1.668 456 HD2 LYS 58 2HD LYS 58 20.752 -18.188 3.326 457 HD3 LYS 58 3HD LYS 58 19.644 -19.050 4.396 458 HE2 LYS 58 2HE LYS 58 20.651 -21.165 3.787 459 HE3 LYS 58 3HE LYS 58 21.696 -20.362 2.616 460 HZ1 LYS 58 3HZ LYS 58 23.167 -20.075 4.225 461 HZ2 LYS 58 1HZ LYS 58 22.124 -20.760 5.368 462 HZ3 LYS 58 2HZ LYS 58 22.071 -19.097 5.065 463 H GLU 59 H GLU 59 18.799 -16.241 3.030 464 HA GLU 59 HA GLU 59 19.601 -16.399 5.779 465 HB2 GLU 59 2HB GLU 59 20.480 -15.018 3.372 466 HB3 GLU 59 3HB GLU 59 20.545 -13.980 4.789 467 HG2 GLU 59 2HG GLU 59 21.795 -16.711 4.635 468 HG3 GLU 59 3HG GLU 59 22.650 -15.203 4.316 469 H VAL 60 H VAL 60 18.138 -13.757 3.875 470 HA VAL 60 HA VAL 60 17.537 -12.039 5.942 471 HB VAL 60 HB VAL 60 17.255 -11.352 3.646 472 HG11 VAL 60 1HG1 VAL 60 16.509 -13.398 2.638 473 HG12 VAL 60 2HG1 VAL 60 15.009 -13.361 3.567 474 HG13 VAL 60 3HG1 VAL 60 15.307 -12.148 2.321 475 HG21 VAL 60 3HG2 VAL 60 14.489 -11.263 4.800 476 HG22 VAL 60 1HG2 VAL 60 15.823 -10.391 5.553 477 HG23 VAL 60 2HG2 VAL 60 15.354 -10.022 3.894 478 H LEU 61 H LEU 61 15.878 -14.952 4.964 479 HA LEU 61 HA LEU 61 13.460 -14.515 6.362 480 HB2 LEU 61 2HB LEU 61 14.782 -16.728 4.987 481 HB3 LEU 61 3HB LEU 61 13.776 -17.239 6.340 482 HG LEU 61 HG LEU 61 12.666 -17.258 4.086 483 HD11 LEU 61 1HD1 LEU 61 11.488 -17.135 6.306 484 HD12 LEU 61 2HD1 LEU 61 10.580 -16.516 4.927 485 HD13 LEU 61 3HD1 LEU 61 11.351 -15.395 6.049 486 HD21 LEU 61 3HD2 LEU 61 11.879 -15.102 3.214 487 HD22 LEU 61 1HD2 LEU 61 13.638 -15.228 3.177 488 HD23 LEU 61 2HD2 LEU 61 12.849 -14.266 4.427 489 H GLU 62 H GLU 62 16.497 -16.098 7.257 490 HA GLU 62 HA GLU 62 15.528 -16.790 9.885 491 HB2 GLU 62 2HB GLU 62 18.136 -17.094 8.439 492 HB3 GLU 62 3HB GLU 62 18.072 -17.313 10.182 493 HG2 GLU 62 2HG GLU 62 16.240 -18.797 8.332 494 HG3 GLU 62 3HG GLU 62 17.857 -19.383 8.719 495 H TRP 63 H TRP 63 17.271 -14.182 8.404 496 HA TRP 63 HA TRP 63 18.403 -13.114 10.791 497 HB2 TRP 63 2HB TRP 63 18.178 -12.305 7.966 498 HB3 TRP 63 3HB TRP 63 18.254 -10.970 9.113 499 HD1 TRP 63 HD1 TRP 63 20.194 -14.190 9.796 500 HE1 TRP 63 HE1 TRP 63 22.713 -13.683 9.651 501 HE3 TRP 63 HE3 TRP 63 19.957 -9.405 8.014 502 HZ2 TRP 63 HZ2 TRP 63 24.379 -11.537 8.883 503 HZ3 TRP 63 HZ3 TRP 63 22.059 -8.194 7.601 504 HH2 TRP 63 HH2 TRP 63 24.223 -9.240 8.028 505 H ALA 64 H ALA 64 15.576 -12.196 8.829 506 HA ALA 64 HA ALA 64 14.677 -10.074 10.376 507 HB1 ALA 64 1HB ALA 64 12.361 -11.284 9.452 508 HB2 ALA 64 2HB ALA 64 13.314 -10.056 8.617 509 HB3 ALA 64 3HB ALA 64 13.597 -11.765 8.289 510 H GLU 65 H GLU 65 14.377 -13.515 10.894 511 HA GLU 65 HA GLU 65 12.376 -13.308 12.937 512 HB2 GLU 65 2HB GLU 65 14.195 -15.545 12.055 513 HB3 GLU 65 3HB GLU 65 13.069 -15.714 13.393 514 HG2 GLU 65 2HG GLU 65 11.234 -15.087 11.810 515 HG3 GLU 65 3HG GLU 65 12.417 -15.190 10.507 516 H HIS 66 H HIS 66 15.812 -13.056 12.809 517 HA HIS 66 HA HIS 66 16.405 -13.718 15.496 518 HB2 HIS 66 2HB HIS 66 17.842 -12.870 13.203 519 HB3 HIS 66 3HB HIS 66 18.236 -11.751 14.505 520 HD1 HIS 66 HD1 HIS 66 18.530 -13.444 16.908 521 HD2 HIS 66 HD2 HIS 66 19.787 -14.735 13.165 522 HE1 HIS 66 HE1 HIS 66 20.245 -15.229 17.353 523 H LEU 67 H LEU 67 15.926 -10.579 13.885 524 HA LEU 67 HA LEU 67 16.146 -9.066 16.282 525 HB2 LEU 67 2HB LEU 67 15.617 -7.194 14.991 526 HB3 LEU 67 3HB LEU 67 16.481 -8.268 13.893 527 HG LEU 67 HG LEU 67 13.959 -8.992 13.326 528 HD11 LEU 67 1HD1 LEU 67 13.303 -7.110 15.025 529 HD12 LEU 67 2HD1 LEU 67 12.396 -7.329 13.529 530 HD13 LEU 67 3HD1 LEU 67 13.606 -6.051 13.647 531 HD21 LEU 67 3HD2 LEU 67 14.126 -7.168 11.503 532 HD22 LEU 67 1HD2 LEU 67 15.362 -8.424 11.567 533 HD23 LEU 67 2HD2 LEU 67 15.700 -6.821 12.220 534 H ALA 68 H ALA 68 13.488 -10.569 14.571 535 HA ALA 68 HA ALA 68 11.364 -9.253 15.877 536 HB1 ALA 68 1HB ALA 68 10.566 -10.354 14.061 537 HB2 ALA 68 2HB ALA 68 11.666 -11.718 14.265 538 HB3 ALA 68 3HB ALA 68 10.226 -11.588 15.275 539 H GLU 69 H GLU 69 13.312 -12.048 16.734 540 HA GLU 69 HA GLU 69 11.658 -12.749 18.989 541 HB2 GLU 69 2HB GLU 69 14.305 -13.737 17.953 542 HB3 GLU 69 3HB GLU 69 13.662 -14.277 19.498 543 HG2 GLU 69 2HG GLU 69 11.724 -14.475 17.342 544 HG3 GLU 69 3HG GLU 69 13.182 -15.422 17.049 545 H TRP 70 H TRP 70 14.298 -10.642 18.373 546 HA TRP 70 HA TRP 70 15.699 -10.483 20.701 547 HB2 TRP 70 2HB TRP 70 16.161 -9.064 18.757 548 HB3 TRP 70 3HB TRP 70 14.690 -8.146 19.064 549 HD1 TRP 70 HD1 TRP 70 14.779 -6.273 20.908 550 HE1 TRP 70 HE1 TRP 70 16.695 -5.230 22.274 551 HE3 TRP 70 HE3 TRP 70 18.449 -9.686 19.897 552 HZ2 TRP 70 HZ2 TRP 70 19.404 -5.781 22.847 553 HZ3 TRP 70 HZ3 TRP 70 20.674 -9.355 20.893 554 HH2 TRP 70 HH2 TRP 70 21.140 -7.442 22.337 555 H ILE 71 H ILE 71 12.444 -9.287 20.105 556 HA ILE 71 HA ILE 71 12.017 -7.693 22.306 557 HB ILE 71 HB ILE 71 9.629 -8.417 22.200 558 HG12 ILE 71 2HG1 ILE 71 10.768 -10.347 20.179 559 HG13 ILE 71 3HG1 ILE 71 9.811 -10.721 21.608 560 HG21 ILE 71 1HG2 ILE 71 10.822 -7.834 19.496 561 HG22 ILE 71 2HG2 ILE 71 9.200 -7.433 20.058 562 HG23 ILE 71 3HG2 ILE 71 10.602 -6.630 20.765 563 HD11 ILE 71 3HD1 ILE 71 8.953 -9.740 18.949 564 HD12 ILE 71 1HD1 ILE 71 8.224 -10.951 20.003 565 HD13 ILE 71 2HD1 ILE 71 8.025 -9.235 20.361 566 H LEU 72 H LEU 72 11.777 -11.226 22.104 567 HA LEU 72 HA LEU 72 10.989 -11.551 24.829 568 HB2 LEU 72 2HB LEU 72 12.238 -13.599 23.008 569 HB3 LEU 72 3HB LEU 72 11.280 -13.905 24.455 570 HG LEU 72 HG LEU 72 9.706 -12.377 22.634 571 HD11 LEU 72 1HD1 LEU 72 10.468 -14.957 21.358 572 HD12 LEU 72 2HD1 LEU 72 11.469 -13.534 21.074 573 HD13 LEU 72 3HD1 LEU 72 9.759 -13.509 20.644 574 HD21 LEU 72 3HD2 LEU 72 8.171 -14.175 22.898 575 HD22 LEU 72 1HD2 LEU 72 8.994 -13.964 24.444 576 HD23 LEU 72 2HD2 LEU 72 9.457 -15.287 23.373 577 H GLU 73 H GLU 73 14.054 -11.796 23.079 578 HA GLU 73 HA GLU 73 15.676 -12.822 25.067 579 HB2 GLU 73 2HB GLU 73 16.037 -11.549 22.554 580 HB3 GLU 73 3HB GLU 73 17.119 -10.768 23.698 581 HG2 GLU 73 2HG GLU 73 18.513 -12.483 23.653 582 HG3 GLU 73 3HG GLU 73 17.217 -13.618 24.026 583 H HIS 74 H HIS 74 14.352 -9.615 24.730 584 HA HIS 74 HA HIS 74 14.358 -7.789 26.087 585 HB2 HIS 74 2HB HIS 74 13.822 -9.800 27.719 586 HB3 HIS 74 3HB HIS 74 15.404 -9.396 28.379 587 HD1 HIS 74 HD1 HIS 74 11.935 -8.570 28.729 588 HD2 HIS 74 HD2 HIS 74 15.514 -6.497 29.118 589 HE1 HIS 74 HE1 HIS 74 11.385 -6.529 30.092 Start of MODEL 9 1 H1 MET 1 H MET 1 1.938 -1.400 -4.475 2 HA MET 1 HA MET 1 4.345 -0.777 -2.959 3 HB2 MET 1 2HB MET 1 1.692 -1.379 -1.640 4 HB3 MET 1 3HB MET 1 3.239 -1.323 -0.805 5 HG2 MET 1 2HG MET 1 3.407 1.071 -1.726 6 HG3 MET 1 3HG MET 1 1.677 0.916 -2.024 7 HE1 MET 1 3HE MET 1 4.382 0.798 1.158 8 HE2 MET 1 1HE MET 1 4.249 2.101 -0.023 9 HE3 MET 1 2HE MET 1 3.637 2.330 1.615 10 H GLY 2 H GLY 2 5.133 -2.522 -4.297 11 HA2 GLY 2 2HA GLY 2 4.560 -5.124 -3.077 12 HA3 GLY 2 3HA GLY 2 4.386 -4.980 -4.819 13 H THR 3 H THR 3 6.774 -4.059 -2.333 14 HA THR 3 HA THR 3 8.837 -5.399 -3.934 15 HB THR 3 HB THR 3 10.417 -3.539 -3.478 16 HG1 THR 3 HG1 THR 3 8.060 -2.197 -2.590 17 HG21 THR 3 3HG2 THR 3 9.097 -1.832 -4.992 18 HG22 THR 3 1HG2 THR 3 7.968 -3.178 -5.141 19 HG23 THR 3 2HG2 THR 3 9.648 -3.377 -5.638 20 H ILE 4 H ILE 4 10.660 -6.116 -2.755 21 HA ILE 4 HA ILE 4 10.176 -7.230 -0.279 22 HB ILE 4 HB ILE 4 12.847 -6.449 -1.452 23 HG12 ILE 4 2HG1 ILE 4 11.597 -7.968 -2.888 24 HG13 ILE 4 3HG1 ILE 4 12.935 -8.828 -2.134 25 HG21 ILE 4 1HG2 ILE 4 13.698 -7.018 0.525 26 HG22 ILE 4 2HG2 ILE 4 12.141 -7.608 1.104 27 HG23 ILE 4 3HG2 ILE 4 13.193 -8.670 0.170 28 HD11 ILE 4 3HD1 ILE 4 11.380 -9.772 -0.493 29 HD12 ILE 4 1HD1 ILE 4 10.048 -8.942 -1.297 30 HD13 ILE 4 2HD1 ILE 4 10.949 -10.196 -2.150 31 H ASP 5 H ASP 5 11.394 -4.045 -1.060 32 HA ASP 5 HA ASP 5 12.470 -3.280 1.383 33 HB2 ASP 5 2HB ASP 5 12.564 -1.961 -0.743 34 HB3 ASP 5 3HB ASP 5 10.883 -1.504 -0.480 35 H ASP 6 H ASP 6 9.144 -3.618 0.402 36 HA ASP 6 HA ASP 6 7.948 -2.109 2.466 37 HB2 ASP 6 2HB ASP 6 6.978 -3.253 0.255 38 HB3 ASP 6 3HB ASP 6 6.540 -4.509 1.409 39 H ALA 7 H ALA 7 9.395 -5.237 2.404 40 HA ALA 7 HA ALA 7 8.078 -6.247 4.747 41 HB1 ALA 7 1HB ALA 7 10.678 -7.397 3.958 42 HB2 ALA 7 2HB ALA 7 9.146 -8.192 4.325 43 HB3 ALA 7 3HB ALA 7 9.399 -7.452 2.744 44 H PHE 8 H PHE 8 11.400 -5.132 4.078 45 HA PHE 8 HA PHE 8 12.435 -5.310 6.626 46 HB2 PHE 8 2HB PHE 8 13.033 -3.121 4.626 47 HB3 PHE 8 3HB PHE 8 14.073 -3.640 5.948 48 HD1 PHE 8 HD1 PHE 8 13.873 -6.566 5.730 49 HD2 PHE 8 HD2 PHE 8 14.248 -3.591 2.709 50 HE1 PHE 8 HE1 PHE 8 14.941 -8.212 4.246 51 HE2 PHE 8 HE2 PHE 8 15.315 -5.233 1.220 52 HZ PHE 8 HZ PHE 8 15.662 -7.547 1.987 53 H ARG 9 H ARG 9 10.720 -2.561 5.167 54 HA ARG 9 HA ARG 9 10.889 -0.818 7.345 55 HB2 ARG 9 2HB ARG 9 9.021 0.376 6.334 56 HB3 ARG 9 3HB ARG 9 10.170 -0.123 5.099 57 HG2 ARG 9 2HG ARG 9 8.736 -1.941 4.434 58 HG3 ARG 9 3HG ARG 9 7.617 -1.580 5.751 59 HD2 ARG 9 2HD ARG 9 8.269 0.204 3.407 60 HD3 ARG 9 3HD ARG 9 6.773 -0.698 3.651 61 HE ARG 9 HE ARG 9 7.221 0.993 5.857 62 HH11 ARG 9 2HH1 ARG 9 6.343 1.119 2.490 63 HH12 ARG 9 1HH1 ARG 9 5.428 2.582 2.650 64 HH21 ARG 9 2HH2 ARG 9 6.019 2.918 6.080 65 HH22 ARG 9 1HH2 ARG 9 5.245 3.605 4.692 66 H ALA 10 H ALA 10 8.639 -3.423 6.640 67 HA ALA 10 HA ALA 10 6.800 -2.804 8.727 68 HB1 ALA 10 1HB ALA 10 7.224 -5.077 6.865 69 HB2 ALA 10 2HB ALA 10 6.260 -5.364 8.314 70 HB3 ALA 10 3HB ALA 10 5.778 -4.114 7.168 71 H ILE 11 H ILE 11 9.790 -4.565 8.554 72 HA ILE 11 HA ILE 11 9.490 -6.119 10.900 73 HB ILE 11 HB ILE 11 11.971 -5.148 9.483 74 HG12 ILE 11 2HG1 ILE 11 10.519 -6.719 8.232 75 HG13 ILE 11 3HG1 ILE 11 12.086 -7.419 8.621 76 HG21 ILE 11 1HG2 ILE 11 12.579 -5.546 11.763 77 HG22 ILE 11 2HG2 ILE 11 11.690 -7.069 11.786 78 HG23 ILE 11 3HG2 ILE 11 13.144 -6.912 10.800 79 HD11 ILE 11 3HD1 ILE 11 10.306 -8.050 10.730 80 HD12 ILE 11 1HD1 ILE 11 9.505 -8.419 9.203 81 HD13 ILE 11 2HD1 ILE 11 11.075 -9.134 9.571 82 H GLU 12 H GLU 12 10.560 -2.835 10.311 83 HA GLU 12 HA GLU 12 11.814 -2.299 12.746 84 HB2 GLU 12 2HB GLU 12 11.758 -0.826 10.691 85 HB3 GLU 12 3HB GLU 12 10.145 -0.329 11.183 86 HG2 GLU 12 2HG GLU 12 10.906 0.890 12.957 87 HG3 GLU 12 3HG GLU 12 12.360 -0.089 13.148 88 H ARG 13 H ARG 13 8.414 -2.339 11.870 89 HA ARG 13 HA ARG 13 7.504 -1.171 14.320 90 HB2 ARG 13 2HB ARG 13 6.370 -1.785 11.835 91 HB3 ARG 13 3HB ARG 13 5.519 -2.804 12.989 92 HG2 ARG 13 2HG ARG 13 4.225 -0.908 12.989 93 HG3 ARG 13 3HG ARG 13 5.296 -0.607 14.359 94 HD2 ARG 13 2HD ARG 13 6.787 0.656 12.772 95 HD3 ARG 13 3HD ARG 13 5.500 0.519 11.574 96 HE ARG 13 HE ARG 13 5.561 2.257 13.870 97 HH11 ARG 13 2HH1 ARG 13 3.551 0.656 11.521 98 HH12 ARG 13 1HH1 ARG 13 2.240 1.777 11.686 99 HH21 ARG 13 2HH2 ARG 13 3.842 3.739 14.097 100 HH22 ARG 13 1HH2 ARG 13 2.407 3.531 13.151 101 H ALA 14 H ALA 14 7.824 -4.460 13.067 102 HA ALA 14 HA ALA 14 6.503 -5.883 15.032 103 HB1 ALA 14 1HB ALA 14 7.632 -7.778 14.286 104 HB2 ALA 14 2HB ALA 14 7.642 -6.711 12.882 105 HB3 ALA 14 3HB ALA 14 9.087 -6.868 13.879 106 H ILE 15 H ILE 15 9.935 -4.929 14.991 107 HA ILE 15 HA ILE 15 10.538 -5.992 17.540 108 HB ILE 15 HB ILE 15 12.299 -5.512 15.929 109 HG12 ILE 15 2HG1 ILE 15 13.288 -3.602 17.820 110 HG13 ILE 15 3HG1 ILE 15 12.315 -4.793 18.676 111 HG21 ILE 15 1HG2 ILE 15 12.962 -3.249 15.376 112 HG22 ILE 15 2HG2 ILE 15 11.275 -3.507 14.935 113 HG23 ILE 15 3HG2 ILE 15 11.676 -2.599 16.392 114 HD11 ILE 15 3HD1 ILE 15 14.270 -5.821 16.714 115 HD12 ILE 15 1HD1 ILE 15 14.906 -5.118 18.201 116 HD13 ILE 15 2HD1 ILE 15 13.776 -6.470 18.277 117 H GLN 16 H GLN 16 9.381 -2.853 16.459 118 HA GLN 16 HA GLN 16 9.801 -1.377 18.787 119 HB2 GLN 16 2HB GLN 16 7.996 -1.172 16.446 120 HB3 GLN 16 3HB GLN 16 7.533 -0.254 17.873 121 HG2 GLN 16 2HG GLN 16 10.332 0.092 17.298 122 HG3 GLN 16 3HG GLN 16 9.343 0.490 15.894 123 HE21 GLN 16 1HE2 GLN 16 8.228 2.350 15.872 124 HE22 GLN 16 2HE2 GLN 16 8.175 3.480 17.177 125 H ALA 17 H ALA 17 7.480 -3.839 18.070 126 HA ALA 17 HA ALA 17 5.414 -3.290 19.813 127 HB1 ALA 17 1HB ALA 17 5.620 -5.210 18.168 128 HB2 ALA 17 2HB ALA 17 6.513 -6.061 19.429 129 HB3 ALA 17 3HB ALA 17 4.842 -5.572 19.709 130 H GLU 18 H GLU 18 8.470 -4.966 20.511 131 HA GLU 18 HA GLU 18 9.584 -5.350 22.457 132 HB2 GLU 18 2HB GLU 18 7.778 -3.283 23.710 133 HB3 GLU 18 3HB GLU 18 9.382 -3.769 24.242 134 HG2 GLU 18 2HG GLU 18 9.623 -2.890 21.572 135 HG3 GLU 18 3HG GLU 18 8.644 -1.703 22.432 136 H ASN 19 H ASN 19 8.043 -7.337 22.076 137 HA ASN 19 HA ASN 19 6.922 -9.063 23.044 138 HB2 ASN 19 2HB ASN 19 8.541 -8.443 24.936 139 HB3 ASN 19 3HB ASN 19 7.168 -7.635 25.687 140 HD21 ASN 19 1HD2 ASN 19 6.216 -8.813 27.164 141 HD22 ASN 19 2HD2 ASN 19 6.052 -10.532 27.155 142 H GLU 20 H GLU 20 4.877 -9.039 22.331 143 HA GLU 20 HA GLU 20 2.837 -7.893 24.021 144 HB2 GLU 20 2HB GLU 20 3.499 -6.768 21.338 145 HB3 GLU 20 3HB GLU 20 1.807 -6.865 21.806 146 HG2 GLU 20 2HG GLU 20 2.633 -5.697 23.983 147 HG3 GLU 20 3HG GLU 20 4.005 -5.232 22.978 148 H GLY 21 H GLY 21 3.585 -9.473 20.935 149 HA2 GLY 21 2HA GLY 21 2.638 -11.838 20.926 150 HA3 GLY 21 3HA GLY 21 1.100 -11.039 21.220 151 H ARG 22 H ARG 22 2.213 -8.803 19.398 152 HA ARG 22 HA ARG 22 0.980 -9.805 17.006 153 HB2 ARG 22 2HB ARG 22 0.776 -7.441 17.843 154 HB3 ARG 22 3HB ARG 22 2.454 -7.196 17.377 155 HG2 ARG 22 2HG ARG 22 1.197 -8.276 15.124 156 HG3 ARG 22 3HG ARG 22 0.080 -7.075 15.774 157 HD2 ARG 22 2HD ARG 22 2.487 -5.789 15.956 158 HD3 ARG 22 3HD ARG 22 2.678 -6.727 14.475 159 HE ARG 22 HE ARG 22 1.166 -5.349 13.452 160 HH11 ARG 22 2HH1 ARG 22 0.931 -4.935 16.901 161 HH12 ARG 22 1HH1 ARG 22 -0.150 -3.585 16.796 162 HH21 ARG 22 2HH2 ARG 22 -0.258 -3.573 13.302 163 HH22 ARG 22 1HH2 ARG 22 -0.827 -2.812 14.749 164 H TYR 23 H TYR 23 4.207 -9.471 18.199 165 HA TYR 23 HA TYR 23 5.717 -9.301 15.897 166 HB2 TYR 23 2HB TYR 23 7.485 -10.499 17.153 167 HB3 TYR 23 3HB TYR 23 6.731 -9.222 18.101 168 HD1 TYR 23 HD2 TYR 23 5.255 -9.774 19.978 169 HD2 TYR 23 HD1 TYR 23 7.235 -12.819 17.762 170 HE1 TYR 23 HE2 TYR 23 4.772 -11.385 21.772 171 HE2 TYR 23 HE1 TYR 23 6.756 -14.439 19.550 172 HH TYR 23 HH TYR 23 4.556 -13.807 22.062 173 H ARG 24 H ARG 24 4.180 -12.137 17.326 174 HA ARG 24 HA ARG 24 5.309 -14.155 15.822 175 HB2 ARG 24 2HB ARG 24 3.756 -14.555 17.679 176 HB3 ARG 24 3HB ARG 24 2.430 -13.920 16.714 177 HG2 ARG 24 2HG ARG 24 3.935 -16.130 15.491 178 HG3 ARG 24 3HG ARG 24 3.019 -16.536 16.944 179 HD2 ARG 24 2HD ARG 24 1.163 -16.616 15.730 180 HD3 ARG 24 3HD ARG 24 1.362 -14.909 15.337 181 HE ARG 24 HE ARG 24 2.032 -15.517 13.240 182 HH11 ARG 24 2HH1 ARG 24 2.290 -18.276 15.348 183 HH12 ARG 24 1HH1 ARG 24 2.678 -19.380 14.070 184 HH21 ARG 24 2HH2 ARG 24 2.541 -16.961 11.549 185 HH22 ARG 24 1HH2 ARG 24 2.821 -18.631 11.910 186 H GLU 25 H GLU 25 2.346 -12.329 15.043 187 HA GLU 25 HA GLU 25 2.151 -13.475 12.426 188 HB2 GLU 25 2HB GLU 25 0.757 -11.027 13.520 189 HB3 GLU 25 3HB GLU 25 0.287 -11.953 12.102 190 HG2 GLU 25 2HG GLU 25 0.420 -13.214 14.814 191 HG3 GLU 25 3HG GLU 25 -1.004 -12.325 14.276 192 H ALA 26 H ALA 26 3.685 -10.693 13.805 193 HA ALA 26 HA ALA 26 3.908 -9.034 11.572 194 HB1 ALA 26 1HB ALA 26 6.280 -9.083 13.284 195 HB2 ALA 26 2HB ALA 26 5.179 -7.758 12.903 196 HB3 ALA 26 3HB ALA 26 4.759 -8.919 14.162 197 H LEU 27 H LEU 27 6.127 -11.570 12.723 198 HA LEU 27 HA LEU 27 8.025 -11.300 10.674 199 HB2 LEU 27 2HB LEU 27 7.331 -13.357 12.682 200 HB3 LEU 27 3HB LEU 27 8.286 -13.892 11.301 201 HG LEU 27 HG LEU 27 9.075 -11.645 13.153 202 HD11 LEU 27 1HD1 LEU 27 10.771 -13.300 13.963 203 HD12 LEU 27 2HD1 LEU 27 9.860 -14.551 13.119 204 HD13 LEU 27 3HD1 LEU 27 9.107 -13.649 14.434 205 HD21 LEU 27 3HD2 LEU 27 11.249 -11.855 12.083 206 HD22 LEU 27 1HD2 LEU 27 10.002 -11.494 10.888 207 HD23 LEU 27 2HD2 LEU 27 10.629 -13.135 11.039 208 H LYS 28 H LYS 28 5.077 -13.217 10.901 209 HA LYS 28 HA LYS 28 5.353 -14.878 8.715 210 HB2 LYS 28 2HB LYS 28 3.438 -14.719 10.428 211 HB3 LYS 28 3HB LYS 28 2.750 -13.508 9.355 212 HG2 LYS 28 2HG LYS 28 3.343 -15.605 7.664 213 HG3 LYS 28 3HG LYS 28 2.767 -16.398 9.132 214 HD2 LYS 28 2HD LYS 28 0.770 -14.923 9.081 215 HD3 LYS 28 3HD LYS 28 1.333 -14.274 7.539 216 HE2 LYS 28 2HE LYS 28 1.062 -16.355 6.455 217 HE3 LYS 28 3HE LYS 28 0.879 -17.213 7.985 218 HZ1 LYS 28 3HZ LYS 28 -1.090 -15.206 7.786 219 HZ2 LYS 28 1HZ LYS 28 -1.293 -16.882 7.903 220 HZ3 LYS 28 2HZ LYS 28 -1.127 -16.155 6.385 221 H HIS 29 H HIS 29 4.057 -11.566 8.773 222 HA HIS 29 HA HIS 29 3.450 -11.350 6.058 223 HB2 HIS 29 2HB HIS 29 4.102 -9.366 8.205 224 HB3 HIS 29 3HB HIS 29 3.946 -8.819 6.539 225 HD1 HIS 29 HD1 HIS 29 1.982 -7.971 8.819 226 HD2 HIS 29 HD2 HIS 29 1.316 -11.041 6.100 227 HE1 HIS 29 HE1 HIS 29 -0.514 -8.264 8.734 228 H PHE 30 H PHE 30 6.491 -11.131 7.739 229 HA PHE 30 HA PHE 30 7.914 -9.944 5.542 230 HB2 PHE 30 2HB PHE 30 8.596 -9.657 7.926 231 HB3 PHE 30 3HB PHE 30 9.027 -11.364 7.969 232 HD1 PHE 30 HD2 PHE 30 9.874 -8.093 6.509 233 HD2 PHE 30 HD1 PHE 30 11.058 -12.148 7.027 234 HE1 PHE 30 HE2 PHE 30 12.119 -7.540 5.669 235 HE2 PHE 30 HE1 PHE 30 13.306 -11.602 6.188 236 HZ PHE 30 HZ PHE 30 13.839 -9.296 5.507 237 H LEU 31 H LEU 31 7.518 -13.191 6.875 238 HA LEU 31 HA LEU 31 9.402 -14.534 5.320 239 HB2 LEU 31 2HB LEU 31 6.849 -15.346 6.643 240 HB3 LEU 31 3HB LEU 31 7.703 -16.489 5.608 241 HG LEU 31 HG LEU 31 9.169 -15.149 7.840 242 HD11 LEU 31 1HD1 LEU 31 6.925 -16.150 8.617 243 HD12 LEU 31 2HD1 LEU 31 8.398 -16.615 9.465 244 HD13 LEU 31 3HD1 LEU 31 7.680 -17.708 8.283 245 HD21 LEU 31 3HD2 LEU 31 10.730 -16.442 6.896 246 HD22 LEU 31 1HD2 LEU 31 9.539 -17.390 6.005 247 HD23 LEU 31 2HD2 LEU 31 9.901 -17.785 7.686 248 H ASP 32 H ASP 32 6.213 -13.373 4.532 249 HA ASP 32 HA ASP 32 5.879 -14.901 2.149 250 HB2 ASP 32 2HB ASP 32 4.138 -13.554 3.614 251 HB3 ASP 32 3HB ASP 32 4.547 -12.250 2.503 252 H GLY 33 H GLY 33 7.673 -12.087 2.948 253 HA2 GLY 33 2HA GLY 33 7.733 -10.877 0.371 254 HA3 GLY 33 3HA GLY 33 8.858 -10.572 1.686 255 H GLY 34 H GLY 34 10.049 -12.981 2.078 256 HA2 GLY 34 2HA GLY 34 12.015 -13.065 0.110 257 HA3 GLY 34 3HA GLY 34 11.710 -14.346 1.274 258 H GLU 35 H GLU 35 9.013 -14.880 0.353 259 HA GLU 35 HA GLU 35 9.572 -16.832 -1.586 260 HB2 GLU 35 2HB GLU 35 6.892 -15.623 -0.880 261 HB3 GLU 35 3HB GLU 35 7.150 -17.149 -1.715 262 HG2 GLU 35 2HG GLU 35 8.346 -16.731 0.983 263 HG3 GLU 35 3HG GLU 35 6.631 -17.111 0.834 264 H MET 36 H MET 36 9.002 -13.487 -1.887 265 HA MET 36 HA MET 36 7.800 -13.375 -4.430 266 HB2 MET 36 2HB MET 36 9.637 -11.402 -3.062 267 HB3 MET 36 3HB MET 36 8.703 -11.059 -4.512 268 HG2 MET 36 2HG MET 36 7.180 -12.090 -2.212 269 HG3 MET 36 3HG MET 36 7.880 -10.484 -2.024 270 HE1 MET 36 3HE MET 36 5.876 -8.362 -2.759 271 HE2 MET 36 1HE MET 36 4.432 -9.364 -2.604 272 HE3 MET 36 2HE MET 36 5.809 -9.630 -1.534 273 H ILE 37 H ILE 37 11.222 -13.173 -3.470 274 HA ILE 37 HA ILE 37 12.114 -13.199 -6.210 275 HB ILE 37 HB ILE 37 13.308 -12.039 -4.284 276 HG12 ILE 37 2HG1 ILE 37 15.112 -13.922 -5.788 277 HG13 ILE 37 3HG1 ILE 37 14.230 -12.644 -6.618 278 HG21 ILE 37 1HG2 ILE 37 14.437 -13.192 -2.687 279 HG22 ILE 37 2HG2 ILE 37 13.157 -14.365 -2.998 280 HG23 ILE 37 3HG2 ILE 37 14.742 -14.572 -3.742 281 HD11 ILE 37 3HD1 ILE 37 15.355 -11.215 -4.650 282 HD12 ILE 37 1HD1 ILE 37 16.561 -12.489 -4.831 283 HD13 ILE 37 2HD1 ILE 37 16.116 -11.492 -6.217 284 H VAL 38 H VAL 38 11.544 -15.525 -3.704 285 HA VAL 38 HA VAL 38 13.189 -17.617 -4.632 286 HB VAL 38 HB VAL 38 10.592 -17.765 -3.095 287 HG11 VAL 38 1HG1 VAL 38 11.823 -19.989 -2.362 288 HG12 VAL 38 2HG1 VAL 38 10.782 -19.933 -3.786 289 HG13 VAL 38 3HG1 VAL 38 12.534 -19.837 -3.968 290 HG21 VAL 38 3HG2 VAL 38 12.829 -16.580 -2.244 291 HG22 VAL 38 1HG2 VAL 38 11.766 -17.492 -1.172 292 HG23 VAL 38 2HG2 VAL 38 13.222 -18.247 -1.822 293 H THR 39 H THR 39 9.833 -16.746 -5.352 294 HA THR 39 HA THR 39 9.042 -18.929 -6.836 295 HB THR 39 HB THR 39 7.633 -16.918 -6.222 296 HG1 THR 39 HG1 THR 39 6.335 -17.185 -8.115 297 HG21 THR 39 3HG2 THR 39 8.288 -15.702 -8.843 298 HG22 THR 39 1HG2 THR 39 9.440 -15.439 -7.534 299 HG23 THR 39 2HG2 THR 39 7.758 -14.942 -7.343 300 H ALA 40 H ALA 40 11.230 -16.361 -7.718 301 HA ALA 40 HA ALA 40 11.227 -16.920 -10.526 302 HB1 ALA 40 1HB ALA 40 12.440 -14.996 -8.757 303 HB2 ALA 40 2HB ALA 40 13.617 -15.618 -9.915 304 HB3 ALA 40 3HB ALA 40 12.118 -14.885 -10.488 305 H ALA 41 H ALA 41 13.533 -17.567 -7.888 306 HA ALA 41 HA ALA 41 15.388 -19.005 -9.430 307 HB1 ALA 41 1HB ALA 41 16.389 -18.527 -7.477 308 HB2 ALA 41 2HB ALA 41 14.876 -18.574 -6.570 309 HB3 ALA 41 3HB ALA 41 15.717 -20.074 -6.962 310 H GLU 42 H GLU 42 12.421 -19.969 -7.838 311 HA GLU 42 HA GLU 42 12.869 -22.781 -8.062 312 HB2 GLU 42 2HB GLU 42 10.345 -21.182 -7.611 313 HB3 GLU 42 3HB GLU 42 10.420 -22.938 -7.555 314 HG2 GLU 42 2HG GLU 42 12.415 -22.242 -5.836 315 HG3 GLU 42 3HG GLU 42 11.239 -20.955 -5.574 316 H LYS 43 H LYS 43 11.328 -20.336 -10.055 317 HA LYS 43 HA LYS 43 10.538 -22.373 -12.008 318 HB2 LYS 43 2HB LYS 43 9.618 -19.658 -11.331 319 HB3 LYS 43 3HB LYS 43 9.678 -20.005 -13.054 320 HG2 LYS 43 2HG LYS 43 7.872 -21.302 -12.960 321 HG3 LYS 43 3HG LYS 43 8.453 -22.151 -11.526 322 HD2 LYS 43 2HD LYS 43 7.152 -20.937 -10.178 323 HD3 LYS 43 3HD LYS 43 7.674 -19.424 -10.924 324 HE2 LYS 43 2HE LYS 43 5.426 -19.425 -11.420 325 HE3 LYS 43 3HE LYS 43 6.101 -20.173 -12.867 326 HZ1 LYS 43 3HZ LYS 43 5.530 -22.119 -10.875 327 HZ2 LYS 43 1HZ LYS 43 4.973 -22.024 -12.469 328 HZ3 LYS 43 2HZ LYS 43 4.149 -21.211 -11.236 329 H GLU 44 H GLU 44 13.300 -21.044 -11.384 330 HA GLU 44 HA GLU 44 13.916 -20.120 -14.100 331 HB2 GLU 44 2HB GLU 44 15.031 -19.584 -11.421 332 HB3 GLU 44 3HB GLU 44 16.218 -19.737 -12.708 333 HG2 GLU 44 2HG GLU 44 13.838 -17.939 -12.977 334 HG3 GLU 44 3HG GLU 44 15.317 -17.411 -12.176 335 H ALA 45 H ALA 45 16.400 -20.691 -14.586 336 HA ALA 45 HA ALA 45 17.297 -23.266 -13.788 337 HB1 ALA 45 1HB ALA 45 15.711 -24.322 -15.073 338 HB2 ALA 45 2HB ALA 45 15.691 -23.046 -16.291 339 HB3 ALA 45 3HB ALA 45 17.040 -24.179 -16.224 340 H SER 46 H SER 46 19.387 -23.650 -14.431 341 HA SER 46 HA SER 46 21.499 -23.077 -15.069 342 HB2 SER 46 2HB SER 46 20.187 -23.615 -17.295 343 HB3 SER 46 3HB SER 46 20.421 -21.893 -17.599 344 HG SER 46 HG SER 46 22.517 -23.684 -16.931 345 H GLN 47 H GLN 47 20.118 -21.132 -13.513 346 HA GLN 47 HA GLN 47 21.086 -18.594 -14.632 347 HB2 GLN 47 2HB GLN 47 18.658 -19.056 -13.654 348 HB3 GLN 47 3HB GLN 47 19.464 -18.691 -12.134 349 HG2 GLN 47 2HG GLN 47 20.206 -16.539 -13.082 350 HG3 GLN 47 3HG GLN 47 19.300 -16.904 -14.550 351 HE21 GLN 47 1HE2 GLN 47 18.078 -15.006 -14.204 352 HE22 GLN 47 2HE2 GLN 47 16.804 -14.967 -13.039 353 H LYS 48 H LYS 48 22.643 -17.414 -13.641 354 HA LYS 48 HA LYS 48 24.210 -18.748 -11.607 355 HB2 LYS 48 2HB LYS 48 24.710 -16.034 -12.829 356 HB3 LYS 48 3HB LYS 48 25.873 -17.071 -12.014 357 HG2 LYS 48 2HG LYS 48 25.070 -18.710 -14.000 358 HG3 LYS 48 3HG LYS 48 24.887 -17.138 -14.782 359 HD2 LYS 48 2HD LYS 48 27.324 -16.924 -13.520 360 HD3 LYS 48 3HD LYS 48 27.304 -18.604 -14.062 361 HE2 LYS 48 2HE LYS 48 26.564 -17.678 -16.324 362 HE3 LYS 48 3HE LYS 48 27.046 -16.100 -15.704 363 HZ1 LYS 48 3HZ LYS 48 28.828 -18.469 -15.879 364 HZ2 LYS 48 1HZ LYS 48 29.273 -16.915 -15.382 365 HZ3 LYS 48 2HZ LYS 48 28.808 -17.189 -16.985 366 H VAL 49 H VAL 49 22.005 -16.061 -11.849 367 HA VAL 49 HA VAL 49 22.686 -14.938 -9.290 368 HB VAL 49 HB VAL 49 20.556 -13.615 -9.630 369 HG11 VAL 49 1HG1 VAL 49 21.524 -12.190 -11.345 370 HG12 VAL 49 2HG1 VAL 49 22.779 -12.773 -10.249 371 HG13 VAL 49 3HG1 VAL 49 22.598 -13.495 -11.848 372 HG21 VAL 49 3HG2 VAL 49 20.608 -14.724 -12.421 373 HG22 VAL 49 1HG2 VAL 49 19.586 -15.412 -11.160 374 HG23 VAL 49 2HG2 VAL 49 19.369 -13.733 -11.653 375 H ARG 50 H ARG 50 20.343 -17.221 -10.532 376 HA ARG 50 HA ARG 50 18.420 -17.312 -8.605 377 HB2 ARG 50 2HB ARG 50 18.308 -18.775 -10.508 378 HB3 ARG 50 3HB ARG 50 19.773 -19.613 -10.016 379 HG2 ARG 50 2HG ARG 50 17.908 -19.775 -7.883 380 HG3 ARG 50 3HG ARG 50 17.086 -20.227 -9.378 381 HD2 ARG 50 2HD ARG 50 17.960 -22.255 -8.860 382 HD3 ARG 50 3HD ARG 50 19.347 -21.594 -9.724 383 HE ARG 50 HE ARG 50 19.774 -20.849 -7.148 384 HH11 ARG 50 2HH1 ARG 50 19.135 -23.889 -8.719 385 HH12 ARG 50 1HH1 ARG 50 20.032 -24.822 -7.567 386 HH21 ARG 50 2HH2 ARG 50 20.959 -22.066 -5.625 387 HH22 ARG 50 1HH2 ARG 50 21.068 -23.784 -5.807 388 H ASN 51 H ASN 51 21.701 -18.572 -8.389 389 HA ASN 51 HA ASN 51 21.428 -20.003 -5.990 390 HB2 ASN 51 2HB ASN 51 23.378 -20.318 -7.375 391 HB3 ASN 51 3HB ASN 51 23.833 -18.626 -7.199 392 HD21 ASN 51 1HD2 ASN 51 25.649 -18.601 -6.081 393 HD22 ASN 51 2HD2 ASN 51 25.931 -19.433 -4.593 394 H LEU 52 H LEU 52 22.461 -16.652 -6.576 395 HA LEU 52 HA LEU 52 22.751 -16.041 -3.803 396 HB2 LEU 52 2HB LEU 52 23.860 -14.897 -5.802 397 HB3 LEU 52 3HB LEU 52 22.335 -14.036 -6.000 398 HG LEU 52 HG LEU 52 23.868 -13.949 -3.418 399 HD11 LEU 52 1HD1 LEU 52 24.244 -12.245 -5.870 400 HD12 LEU 52 2HD1 LEU 52 25.457 -13.194 -5.012 401 HD13 LEU 52 3HD1 LEU 52 24.763 -11.761 -4.255 402 HD21 LEU 52 3HD2 LEU 52 22.634 -11.574 -3.704 403 HD22 LEU 52 1HD2 LEU 52 21.900 -12.969 -2.914 404 HD23 LEU 52 2HD2 LEU 52 21.521 -12.610 -4.598 405 H LEU 53 H LEU 53 20.149 -15.857 -6.117 406 HA LEU 53 HA LEU 53 18.453 -14.072 -4.783 407 HB2 LEU 53 2HB LEU 53 18.085 -16.245 -6.779 408 HB3 LEU 53 3HB LEU 53 16.655 -15.610 -5.968 409 HG LEU 53 HG LEU 53 16.740 -13.625 -7.074 410 HD11 LEU 53 1HD1 LEU 53 19.722 -13.988 -7.167 411 HD12 LEU 53 2HD1 LEU 53 18.794 -12.784 -6.273 412 HD13 LEU 53 3HD1 LEU 53 18.885 -12.698 -8.032 413 HD21 LEU 53 3HD2 LEU 53 18.383 -15.232 -9.017 414 HD22 LEU 53 1HD2 LEU 53 17.197 -13.977 -9.374 415 HD23 LEU 53 2HD2 LEU 53 16.669 -15.529 -8.721 416 H LEU 54 H LEU 54 18.692 -17.610 -4.572 417 HA LEU 54 HA LEU 54 16.663 -17.796 -2.553 418 HB2 LEU 54 2HB LEU 54 18.718 -19.830 -3.409 419 HB3 LEU 54 3HB LEU 54 17.285 -20.147 -2.433 420 HG LEU 54 HG LEU 54 16.942 -19.006 -5.168 421 HD11 LEU 54 1HD1 LEU 54 18.540 -21.148 -4.961 422 HD12 LEU 54 2HD1 LEU 54 17.415 -20.903 -6.296 423 HD13 LEU 54 3HD1 LEU 54 16.968 -21.949 -4.948 424 HD21 LEU 54 3HD2 LEU 54 14.897 -20.362 -5.071 425 HD22 LEU 54 1HD2 LEU 54 15.007 -19.233 -3.721 426 HD23 LEU 54 2HD2 LEU 54 15.367 -20.942 -3.472 427 H HIS 55 H HIS 55 20.147 -17.542 -2.616 428 HA HIS 55 HA HIS 55 20.629 -18.323 0.063 429 HB2 HIS 55 2HB HIS 55 22.393 -18.239 -1.667 430 HB3 HIS 55 3HB HIS 55 22.264 -16.483 -1.698 431 HD1 HIS 55 HD1 HIS 55 23.542 -15.196 0.053 432 HD2 HIS 55 HD2 HIS 55 23.509 -19.290 0.763 433 HE1 HIS 55 HE1 HIS 55 25.175 -15.567 1.929 434 H LYS 56 H LYS 56 20.310 -15.119 -1.453 435 HA LYS 56 HA LYS 56 20.543 -13.675 0.979 436 HB2 LYS 56 2HB LYS 56 20.005 -13.080 -1.831 437 HB3 LYS 56 3HB LYS 56 19.117 -12.035 -0.731 438 HG2 LYS 56 2HG LYS 56 21.362 -11.659 0.432 439 HG3 LYS 56 3HG LYS 56 22.081 -12.369 -1.015 440 HD2 LYS 56 2HD LYS 56 21.559 -10.579 -2.315 441 HD3 LYS 56 3HD LYS 56 20.073 -10.231 -1.429 442 HE2 LYS 56 2HE LYS 56 22.793 -9.772 -0.236 443 HE3 LYS 56 3HE LYS 56 21.987 -8.554 -1.224 444 HZ1 LYS 56 3HZ LYS 56 20.526 -8.084 0.397 445 HZ2 LYS 56 1HZ LYS 56 21.699 -8.752 1.417 446 HZ3 LYS 56 2HZ LYS 56 20.386 -9.690 0.910 447 H GLY 57 H GLY 57 17.804 -14.930 -0.857 448 HA2 GLY 57 2HA GLY 57 15.765 -13.634 0.605 449 HA3 GLY 57 3HA GLY 57 15.573 -15.101 -0.345 450 H LYS 58 H LYS 58 17.457 -16.685 1.117 451 HA LYS 58 HA LYS 58 15.747 -17.517 3.263 452 HB2 LYS 58 2HB LYS 58 16.694 -19.418 2.510 453 HB3 LYS 58 3HB LYS 58 18.082 -18.570 1.840 454 HG2 LYS 58 2HG LYS 58 17.862 -18.923 4.793 455 HG3 LYS 58 3HG LYS 58 18.393 -20.271 3.784 456 HD2 LYS 58 2HD LYS 58 19.765 -17.874 3.008 457 HD3 LYS 58 3HD LYS 58 19.933 -18.122 4.747 458 HE2 LYS 58 2HE LYS 58 21.732 -19.299 3.856 459 HE3 LYS 58 3HE LYS 58 20.520 -20.550 4.127 460 HZ1 LYS 58 3HZ LYS 58 20.606 -21.057 1.989 461 HZ2 LYS 58 1HZ LYS 58 21.794 -19.879 1.737 462 HZ3 LYS 58 2HZ LYS 58 20.159 -19.484 1.557 463 H GLU 59 H GLU 59 18.733 -15.724 2.970 464 HA GLU 59 HA GLU 59 19.473 -15.864 5.715 465 HB2 GLU 59 2HB GLU 59 20.288 -14.139 3.400 466 HB3 GLU 59 3HB GLU 59 20.825 -13.745 5.027 467 HG2 GLU 59 2HG GLU 59 21.267 -16.423 3.737 468 HG3 GLU 59 3HG GLU 59 22.426 -15.097 3.664 469 H VAL 60 H VAL 60 18.145 -13.164 3.794 470 HA VAL 60 HA VAL 60 17.697 -11.366 5.826 471 HB VAL 60 HB VAL 60 16.001 -10.330 4.438 472 HG11 VAL 60 1HG1 VAL 60 18.620 -10.996 3.584 473 HG12 VAL 60 2HG1 VAL 60 17.567 -11.015 2.168 474 HG13 VAL 60 3HG1 VAL 60 17.662 -9.572 3.178 475 HG21 VAL 60 3HG2 VAL 60 15.749 -13.053 3.379 476 HG22 VAL 60 1HG2 VAL 60 14.556 -11.758 3.482 477 HG23 VAL 60 2HG2 VAL 60 15.718 -11.784 2.155 478 H LEU 61 H LEU 61 15.837 -14.200 4.973 479 HA LEU 61 HA LEU 61 13.565 -13.544 6.583 480 HB2 LEU 61 2HB LEU 61 14.457 -15.791 4.921 481 HB3 LEU 61 3HB LEU 61 13.460 -16.251 6.300 482 HG LEU 61 HG LEU 61 11.713 -14.677 5.486 483 HD11 LEU 61 1HD1 LEU 61 13.625 -13.505 4.034 484 HD12 LEU 61 2HD1 LEU 61 11.915 -13.424 3.614 485 HD13 LEU 61 3HD1 LEU 61 12.965 -14.590 2.810 486 HD21 LEU 61 3HD2 LEU 61 10.877 -16.549 4.640 487 HD22 LEU 61 1HD2 LEU 61 12.497 -17.205 4.401 488 HD23 LEU 61 2HD2 LEU 61 11.746 -16.229 3.138 489 H GLU 62 H GLU 62 16.494 -15.454 7.029 490 HA GLU 62 HA GLU 62 15.712 -16.463 9.596 491 HB2 GLU 62 2HB GLU 62 18.270 -16.478 8.022 492 HB3 GLU 62 3HB GLU 62 18.241 -17.018 9.695 493 HG2 GLU 62 2HG GLU 62 16.245 -18.168 7.826 494 HG3 GLU 62 3HG GLU 62 17.923 -18.688 7.679 495 H TRP 63 H TRP 63 17.343 -13.638 8.415 496 HA TRP 63 HA TRP 63 18.538 -12.908 10.914 497 HB2 TRP 63 2HB TRP 63 19.137 -12.175 8.455 498 HB3 TRP 63 3HB TRP 63 17.961 -10.902 8.771 499 HD1 TRP 63 HD1 TRP 63 18.621 -9.030 10.553 500 HE1 TRP 63 HE1 TRP 63 20.881 -8.331 11.566 501 HE3 TRP 63 HE3 TRP 63 21.401 -13.111 9.230 502 HZ2 TRP 63 HZ2 TRP 63 23.496 -9.371 11.777 503 HZ3 TRP 63 HZ3 TRP 63 23.774 -13.181 9.876 504 HH2 TRP 63 HH2 TRP 63 24.798 -11.349 11.122 505 H ALA 64 H ALA 64 15.660 -11.868 9.116 506 HA ALA 64 HA ALA 64 14.791 -9.845 10.805 507 HB1 ALA 64 1HB ALA 64 12.446 -10.974 9.947 508 HB2 ALA 64 2HB ALA 64 13.406 -9.796 9.051 509 HB3 ALA 64 3HB ALA 64 13.602 -11.520 8.732 510 H GLU 65 H GLU 65 14.554 -13.317 11.154 511 HA GLU 65 HA GLU 65 12.657 -13.244 13.300 512 HB2 GLU 65 2HB GLU 65 14.499 -15.429 12.320 513 HB3 GLU 65 3HB GLU 65 13.300 -15.648 13.586 514 HG2 GLU 65 2HG GLU 65 11.547 -14.980 11.957 515 HG3 GLU 65 3HG GLU 65 12.788 -14.956 10.705 516 H HIS 66 H HIS 66 16.088 -12.965 13.024 517 HA HIS 66 HA HIS 66 16.841 -13.754 15.621 518 HB2 HIS 66 2HB HIS 66 18.132 -12.755 13.335 519 HB3 HIS 66 3HB HIS 66 18.499 -11.610 14.622 520 HD1 HIS 66 HD1 HIS 66 18.826 -13.503 16.992 521 HD2 HIS 66 HD2 HIS 66 20.397 -14.245 13.218 522 HE1 HIS 66 HE1 HIS 66 20.733 -15.100 17.360 523 H LEU 67 H LEU 67 16.238 -10.502 14.290 524 HA LEU 67 HA LEU 67 16.473 -9.203 16.809 525 HB2 LEU 67 2HB LEU 67 15.761 -7.231 15.689 526 HB3 LEU 67 3HB LEU 67 16.818 -8.120 14.595 527 HG LEU 67 HG LEU 67 14.440 -9.031 13.748 528 HD11 LEU 67 1HD1 LEU 67 13.756 -6.178 14.255 529 HD12 LEU 67 2HD1 LEU 67 13.460 -7.367 15.523 530 HD13 LEU 67 3HD1 LEU 67 12.700 -7.556 13.943 531 HD21 LEU 67 3HD2 LEU 67 15.702 -8.215 12.057 532 HD22 LEU 67 1HD2 LEU 67 16.202 -6.791 12.969 533 HD23 LEU 67 2HD2 LEU 67 14.609 -6.839 12.213 534 H ALA 68 H ALA 68 13.770 -10.458 14.934 535 HA ALA 68 HA ALA 68 11.686 -9.344 16.463 536 HB1 ALA 68 1HB ALA 68 11.833 -11.777 14.705 537 HB2 ALA 68 2HB ALA 68 10.346 -11.281 15.514 538 HB3 ALA 68 3HB ALA 68 11.116 -10.205 14.348 539 H GLU 69 H GLU 69 13.774 -12.065 17.000 540 HA GLU 69 HA GLU 69 12.112 -13.262 19.027 541 HB2 GLU 69 2HB GLU 69 14.854 -13.799 17.943 542 HB3 GLU 69 3HB GLU 69 14.351 -14.544 19.454 543 HG2 GLU 69 2HG GLU 69 12.371 -14.829 17.346 544 HG3 GLU 69 3HG GLU 69 13.929 -15.540 16.929 545 H TRP 70 H TRP 70 14.553 -10.836 18.880 546 HA TRP 70 HA TRP 70 15.740 -10.883 21.346 547 HB2 TRP 70 2HB TRP 70 16.085 -9.214 19.444 548 HB3 TRP 70 3HB TRP 70 14.721 -8.325 20.116 549 HD1 TRP 70 HD1 TRP 70 18.220 -9.564 21.238 550 HE1 TRP 70 HE1 TRP 70 19.146 -7.877 22.947 551 HE3 TRP 70 HE3 TRP 70 14.176 -6.457 21.585 552 HZ2 TRP 70 HZ2 TRP 70 18.277 -5.539 24.268 553 HZ3 TRP 70 HZ3 TRP 70 14.304 -4.518 23.094 554 HH2 TRP 70 HH2 TRP 70 16.313 -4.071 24.408 555 H ILE 71 H ILE 71 12.645 -9.306 20.553 556 HA ILE 71 HA ILE 71 11.987 -8.304 23.030 557 HB ILE 71 HB ILE 71 9.574 -8.703 22.351 558 HG12 ILE 71 2HG1 ILE 71 10.092 -9.219 19.595 559 HG13 ILE 71 3HG1 ILE 71 10.861 -10.490 20.539 560 HG21 ILE 71 1HG2 ILE 71 11.176 -6.730 21.742 561 HG22 ILE 71 2HG2 ILE 71 11.042 -7.388 20.112 562 HG23 ILE 71 3HG2 ILE 71 9.595 -6.861 20.972 563 HD11 ILE 71 3HD1 ILE 71 8.502 -10.469 21.754 564 HD12 ILE 71 1HD1 ILE 71 7.998 -9.858 20.178 565 HD13 ILE 71 2HD1 ILE 71 8.815 -11.417 20.300 566 H LEU 72 H LEU 72 11.726 -11.608 21.864 567 HA LEU 72 HA LEU 72 10.190 -12.603 24.031 568 HB2 LEU 72 2HB LEU 72 12.108 -14.139 22.292 569 HB3 LEU 72 3HB LEU 72 10.758 -14.789 23.219 570 HG LEU 72 HG LEU 72 10.366 -12.854 20.950 571 HD11 LEU 72 1HD1 LEU 72 11.601 -14.889 20.199 572 HD12 LEU 72 2HD1 LEU 72 10.010 -14.689 19.467 573 HD13 LEU 72 3HD1 LEU 72 10.241 -15.858 20.767 574 HD21 LEU 72 3HD2 LEU 72 8.262 -12.949 21.654 575 HD22 LEU 72 1HD2 LEU 72 8.668 -14.171 22.859 576 HD23 LEU 72 2HD2 LEU 72 8.243 -14.659 21.218 577 H GLU 73 H GLU 73 13.677 -12.739 23.318 578 HA GLU 73 HA GLU 73 14.446 -14.064 25.663 579 HB2 GLU 73 2HB GLU 73 15.738 -13.204 23.419 580 HB3 GLU 73 3HB GLU 73 16.359 -12.083 24.622 581 HG2 GLU 73 2HG GLU 73 17.606 -13.645 25.619 582 HG3 GLU 73 3HG GLU 73 16.351 -14.876 25.484 583 H HIS 74 H HIS 74 13.632 -10.745 25.059 584 HA HIS 74 HA HIS 74 13.484 -8.911 26.398 585 HB2 HIS 74 2HB HIS 74 12.573 -11.127 27.904 586 HB3 HIS 74 3HB HIS 74 13.534 -10.133 28.995 587 HD1 HIS 74 HD1 HIS 74 10.361 -10.144 27.036 588 HD2 HIS 74 HD2 HIS 74 12.458 -7.600 29.566 589 HE1 HIS 74 HE1 HIS 74 8.751 -8.305 27.626 Start of MODEL 10 1 H1 MET 1 H MET 1 3.675 0.123 0.162 2 HA MET 1 HA MET 1 2.466 0.030 -1.767 3 HB2 MET 1 2HB MET 1 5.129 0.820 -2.394 4 HB3 MET 1 3HB MET 1 4.547 -0.202 -3.702 5 HG2 MET 1 2HG MET 1 3.471 1.537 -4.530 6 HG3 MET 1 3HG MET 1 2.449 1.553 -3.094 7 HE1 MET 1 3HE MET 1 5.509 3.775 -4.853 8 HE2 MET 1 1HE MET 1 3.837 3.461 -5.320 9 HE3 MET 1 2HE MET 1 4.265 4.987 -4.546 10 H GLY 2 H GLY 2 5.300 -2.041 -2.444 11 HA2 GLY 2 2HA GLY 2 4.074 -4.502 -2.300 12 HA3 GLY 2 3HA GLY 2 3.739 -3.922 -3.925 13 H THR 3 H THR 3 6.487 -4.219 -1.675 14 HA THR 3 HA THR 3 8.012 -5.617 -3.701 15 HB THR 3 HB THR 3 8.540 -3.340 -4.322 16 HG1 THR 3 HG1 THR 3 10.481 -4.132 -4.567 17 HG21 THR 3 3HG2 THR 3 7.948 -2.338 -2.104 18 HG22 THR 3 1HG2 THR 3 9.443 -1.721 -2.804 19 HG23 THR 3 2HG2 THR 3 9.504 -2.903 -1.496 20 H ILE 4 H ILE 4 9.805 -6.733 -2.871 21 HA ILE 4 HA ILE 4 9.595 -7.768 -0.324 22 HB ILE 4 HB ILE 4 12.104 -7.533 -1.989 23 HG12 ILE 4 2HG1 ILE 4 10.324 -8.690 -3.178 24 HG13 ILE 4 3HG1 ILE 4 11.547 -9.851 -2.671 25 HG21 ILE 4 1HG2 ILE 4 11.706 -8.503 0.666 26 HG22 ILE 4 2HG2 ILE 4 12.120 -9.854 -0.389 27 HG23 ILE 4 3HG2 ILE 4 13.189 -8.455 -0.288 28 HD11 ILE 4 3HD1 ILE 4 8.904 -9.357 -1.320 29 HD12 ILE 4 1HD1 ILE 4 9.317 -10.733 -2.342 30 HD13 ILE 4 2HD1 ILE 4 10.130 -10.510 -0.793 31 H ASP 5 H ASP 5 11.523 -5.023 -1.433 32 HA ASP 5 HA ASP 5 13.042 -4.547 0.833 33 HB2 ASP 5 2HB ASP 5 12.746 -3.293 -1.555 34 HB3 ASP 5 3HB ASP 5 11.948 -2.140 -0.488 35 H ASP 6 H ASP 6 9.663 -3.928 0.250 36 HA ASP 6 HA ASP 6 9.209 -2.107 2.360 37 HB2 ASP 6 2HB ASP 6 7.693 -3.057 0.319 38 HB3 ASP 6 3HB ASP 6 7.011 -3.957 1.671 39 H ALA 7 H ALA 7 9.371 -5.599 2.215 40 HA ALA 7 HA ALA 7 8.191 -6.153 4.720 41 HB1 ALA 7 1HB ALA 7 10.132 -7.705 3.025 42 HB2 ALA 7 2HB ALA 7 9.443 -8.329 4.524 43 HB3 ALA 7 3HB ALA 7 8.389 -7.932 3.167 44 H PHE 8 H PHE 8 11.551 -5.603 3.737 45 HA PHE 8 HA PHE 8 12.648 -6.067 6.322 46 HB2 PHE 8 2HB PHE 8 13.904 -4.420 4.127 47 HB3 PHE 8 3HB PHE 8 14.719 -5.307 5.412 48 HD1 PHE 8 HD1 PHE 8 13.379 -7.903 5.315 49 HD2 PHE 8 HD2 PHE 8 14.657 -5.357 2.153 50 HE1 PHE 8 HE1 PHE 8 13.591 -9.856 3.832 51 HE2 PHE 8 HE2 PHE 8 14.871 -7.305 0.665 52 HZ PHE 8 HZ PHE 8 14.337 -9.558 1.504 53 H ARG 9 H ARG 9 11.381 -3.265 4.660 54 HA ARG 9 HA ARG 9 12.387 -1.370 6.571 55 HB2 ARG 9 2HB ARG 9 10.422 -1.191 4.296 56 HB3 ARG 9 3HB ARG 9 10.722 0.167 5.372 57 HG2 ARG 9 2HG ARG 9 13.132 0.030 4.765 58 HG3 ARG 9 3HG ARG 9 12.707 -1.199 3.571 59 HD2 ARG 9 2HD ARG 9 11.876 0.315 2.138 60 HD3 ARG 9 3HD ARG 9 11.078 1.226 3.419 61 HE ARG 9 HE ARG 9 13.749 1.766 3.712 62 HH11 ARG 9 2HH1 ARG 9 11.399 2.099 1.166 63 HH12 ARG 9 1HH1 ARG 9 12.168 3.481 0.459 64 HH21 ARG 9 2HH2 ARG 9 14.771 3.586 2.791 65 HH22 ARG 9 1HH2 ARG 9 14.086 4.325 1.383 66 H ALA 10 H ALA 10 9.425 -3.177 6.092 67 HA ALA 10 HA ALA 10 7.907 -1.717 8.036 68 HB1 ALA 10 1HB ALA 10 6.521 -3.993 7.808 69 HB2 ALA 10 2HB ALA 10 6.439 -2.694 6.618 70 HB3 ALA 10 3HB ALA 10 7.476 -4.090 6.329 71 H ILE 11 H ILE 11 10.084 -4.414 8.098 72 HA ILE 11 HA ILE 11 9.335 -5.789 10.361 73 HB ILE 11 HB ILE 11 11.356 -6.153 8.760 74 HG12 ILE 11 2HG1 ILE 11 12.283 -6.871 11.440 75 HG13 ILE 11 3HG1 ILE 11 10.583 -7.244 11.178 76 HG21 ILE 11 1HG2 ILE 11 12.358 -3.930 9.591 77 HG22 ILE 11 2HG2 ILE 11 12.877 -4.863 10.994 78 HG23 ILE 11 3HG2 ILE 11 13.433 -5.312 9.382 79 HD11 ILE 11 3HD1 ILE 11 11.524 -8.281 8.943 80 HD12 ILE 11 1HD1 ILE 11 12.999 -8.390 9.904 81 HD13 ILE 11 2HD1 ILE 11 11.523 -9.180 10.460 82 H GLU 12 H GLU 12 10.756 -2.622 10.111 83 HA GLU 12 HA GLU 12 11.783 -2.289 12.675 84 HB2 GLU 12 2HB GLU 12 11.953 -0.700 10.697 85 HB3 GLU 12 3HB GLU 12 10.348 -0.131 11.133 86 HG2 GLU 12 2HG GLU 12 11.328 0.326 13.443 87 HG3 GLU 12 3HG GLU 12 12.902 0.119 12.677 88 H ARG 13 H ARG 13 8.478 -2.153 11.518 89 HA ARG 13 HA ARG 13 7.397 -1.052 13.930 90 HB2 ARG 13 2HB ARG 13 6.464 -1.482 11.342 91 HB3 ARG 13 3HB ARG 13 5.509 -2.578 12.331 92 HG2 ARG 13 2HG ARG 13 4.199 -0.873 12.849 93 HG3 ARG 13 3HG ARG 13 5.553 -0.153 13.723 94 HD2 ARG 13 2HD ARG 13 5.120 1.549 12.277 95 HD3 ARG 13 3HD ARG 13 6.229 0.613 11.275 96 HE ARG 13 HE ARG 13 3.704 -0.349 10.724 97 HH11 ARG 13 2HH1 ARG 13 5.373 2.698 10.493 98 HH12 ARG 13 1HH1 ARG 13 4.448 3.250 9.137 99 HH21 ARG 13 2HH2 ARG 13 2.479 0.368 8.938 100 HH22 ARG 13 1HH2 ARG 13 2.801 1.925 8.254 101 H ALA 14 H ALA 14 8.093 -4.247 12.738 102 HA ALA 14 HA ALA 14 6.446 -5.720 14.499 103 HB1 ALA 14 1HB ALA 14 8.744 -7.251 13.925 104 HB2 ALA 14 2HB ALA 14 7.156 -7.341 13.163 105 HB3 ALA 14 3HB ALA 14 8.396 -6.283 12.493 106 H ILE 15 H ILE 15 9.903 -4.875 14.675 107 HA ILE 15 HA ILE 15 10.384 -6.059 17.178 108 HB ILE 15 HB ILE 15 12.222 -5.449 15.719 109 HG12 ILE 15 2HG1 ILE 15 12.981 -3.588 17.794 110 HG13 ILE 15 3HG1 ILE 15 12.088 -4.940 18.481 111 HG21 ILE 15 1HG2 ILE 15 12.852 -3.149 15.306 112 HG22 ILE 15 2HG2 ILE 15 11.199 -3.425 14.762 113 HG23 ILE 15 3HG2 ILE 15 11.498 -2.576 16.278 114 HD11 ILE 15 3HD1 ILE 15 14.795 -4.836 17.696 115 HD12 ILE 15 1HD1 ILE 15 13.897 -6.197 18.368 116 HD13 ILE 15 2HD1 ILE 15 13.971 -5.966 16.621 117 H GLN 16 H GLN 16 9.261 -2.848 16.269 118 HA GLN 16 HA GLN 16 9.493 -1.629 18.792 119 HB2 GLN 16 2HB GLN 16 8.091 -1.057 16.259 120 HB3 GLN 16 3HB GLN 16 7.381 -0.325 17.692 121 HG2 GLN 16 2HG GLN 16 9.899 0.362 18.134 122 HG3 GLN 16 3HG GLN 16 9.984 0.200 16.381 123 HE21 GLN 16 1HE2 GLN 16 10.025 2.521 18.335 124 HE22 GLN 16 2HE2 GLN 16 8.876 3.634 17.682 125 H ALA 17 H ALA 17 7.230 -3.902 17.532 126 HA ALA 17 HA ALA 17 4.945 -3.435 19.002 127 HB1 ALA 17 1HB ALA 17 4.284 -5.561 18.451 128 HB2 ALA 17 2HB ALA 17 5.553 -5.292 17.255 129 HB3 ALA 17 3HB ALA 17 5.891 -6.244 18.701 130 H GLU 18 H GLU 18 7.862 -5.195 19.993 131 HA GLU 18 HA GLU 18 8.590 -5.928 22.024 132 HB2 GLU 18 2HB GLU 18 7.046 -3.488 22.916 133 HB3 GLU 18 3HB GLU 18 8.172 -4.379 23.930 134 HG2 GLU 18 2HG GLU 18 9.953 -3.885 22.258 135 HG3 GLU 18 3HG GLU 18 8.802 -2.844 21.422 136 H ASN 19 H ASN 19 6.481 -7.397 21.181 137 HA ASN 19 HA ASN 19 5.034 -7.924 23.688 138 HB2 ASN 19 2HB ASN 19 3.648 -6.816 21.812 139 HB3 ASN 19 3HB ASN 19 3.765 -8.372 20.995 140 HD21 ASN 19 1HD2 ASN 19 3.281 -7.428 24.380 141 HD22 ASN 19 2HD2 ASN 19 1.827 -8.334 24.602 142 H GLU 20 H GLU 20 4.041 -10.185 23.645 143 HA GLU 20 HA GLU 20 5.821 -12.060 22.237 144 HB2 GLU 20 2HB GLU 20 5.576 -13.512 24.341 145 HB3 GLU 20 3HB GLU 20 6.667 -12.137 24.419 146 HG2 GLU 20 2HG GLU 20 4.948 -10.832 25.559 147 HG3 GLU 20 3HG GLU 20 3.851 -12.210 25.480 148 H GLY 21 H GLY 21 3.604 -11.606 20.965 149 HA2 GLY 21 2HA GLY 21 2.151 -14.078 21.176 150 HA3 GLY 21 3HA GLY 21 1.190 -12.683 21.644 151 H ARG 22 H ARG 22 1.514 -10.782 19.964 152 HA ARG 22 HA ARG 22 0.544 -11.835 17.462 153 HB2 ARG 22 2HB ARG 22 0.176 -9.483 16.864 154 HB3 ARG 22 3HB ARG 22 -0.504 -9.860 18.441 155 HG2 ARG 22 2HG ARG 22 0.737 -8.316 19.437 156 HG3 ARG 22 3HG ARG 22 2.212 -8.911 18.671 157 HD2 ARG 22 2HD ARG 22 2.027 -7.474 16.888 158 HD3 ARG 22 3HD ARG 22 0.276 -7.344 17.039 159 HE ARG 22 HE ARG 22 2.243 -5.698 18.310 160 HH11 ARG 22 2HH1 ARG 22 -0.982 -6.980 18.581 161 HH12 ARG 22 1HH1 ARG 22 -1.547 -5.696 19.598 162 HH21 ARG 22 2HH2 ARG 22 1.511 -4.001 19.647 163 HH22 ARG 22 1HH2 ARG 22 -0.129 -4.001 20.202 164 H TYR 23 H TYR 23 3.540 -10.715 18.718 165 HA TYR 23 HA TYR 23 4.846 -9.699 16.514 166 HB2 TYR 23 2HB TYR 23 6.871 -10.166 17.621 167 HB3 TYR 23 3HB TYR 23 5.697 -9.965 18.918 168 HD1 TYR 23 HD1 TYR 23 4.409 -12.381 19.367 169 HD2 TYR 23 HD2 TYR 23 8.408 -11.825 18.027 170 HE1 TYR 23 HE1 TYR 23 5.009 -14.593 20.259 171 HE2 TYR 23 HE2 TYR 23 9.019 -14.036 18.914 172 HH TYR 23 HH TYR 23 8.031 -16.100 19.556 173 H ARG 24 H ARG 24 3.939 -12.985 17.198 174 HA ARG 24 HA ARG 24 5.657 -14.205 15.269 175 HB2 ARG 24 2HB ARG 24 4.371 -16.222 15.671 176 HB3 ARG 24 3HB ARG 24 4.730 -15.433 17.201 177 HG2 ARG 24 2HG ARG 24 2.554 -15.835 17.594 178 HG3 ARG 24 3HG ARG 24 2.335 -14.340 16.681 179 HD2 ARG 24 2HD ARG 24 2.283 -15.914 14.617 180 HD3 ARG 24 3HD ARG 24 1.940 -17.173 15.803 181 HE ARG 24 HE ARG 24 0.221 -14.932 16.136 182 HH11 ARG 24 2HH1 ARG 24 0.760 -17.760 14.178 183 HH12 ARG 24 1HH1 ARG 24 -0.906 -17.926 13.730 184 HH21 ARG 24 2HH2 ARG 24 -1.974 -15.141 15.553 185 HH22 ARG 24 1HH2 ARG 24 -2.460 -16.436 14.512 186 H GLU 25 H GLU 25 2.336 -13.027 15.266 187 HA GLU 25 HA GLU 25 1.738 -14.030 12.650 188 HB2 GLU 25 2HB GLU 25 -0.377 -13.244 12.993 189 HB3 GLU 25 3HB GLU 25 0.163 -13.295 14.665 190 HG2 GLU 25 2HG GLU 25 0.932 -10.831 14.128 191 HG3 GLU 25 3HG GLU 25 -0.322 -10.964 12.896 192 H ALA 26 H ALA 26 3.273 -11.220 13.910 193 HA ALA 26 HA ALA 26 2.814 -9.511 11.665 194 HB1 ALA 26 1HB ALA 26 3.316 -8.271 13.522 195 HB2 ALA 26 2HB ALA 26 4.533 -9.414 14.093 196 HB3 ALA 26 3HB ALA 26 4.901 -8.333 12.749 197 H LEU 27 H LEU 27 5.320 -11.795 12.597 198 HA LEU 27 HA LEU 27 7.148 -11.063 10.532 199 HB2 LEU 27 2HB LEU 27 6.903 -13.411 12.379 200 HB3 LEU 27 3HB LEU 27 8.109 -13.385 11.094 201 HG LEU 27 HG LEU 27 7.911 -11.421 13.377 202 HD11 LEU 27 1HD1 LEU 27 9.194 -13.996 13.095 203 HD12 LEU 27 2HD1 LEU 27 9.007 -12.977 14.523 204 HD13 LEU 27 3HD1 LEU 27 10.363 -12.718 13.426 205 HD21 LEU 27 3HD2 LEU 27 8.935 -10.104 11.850 206 HD22 LEU 27 1HD2 LEU 27 9.468 -11.468 10.867 207 HD23 LEU 27 2HD2 LEU 27 10.351 -11.040 12.333 208 H LYS 28 H LYS 28 4.434 -13.224 10.765 209 HA LYS 28 HA LYS 28 4.893 -14.999 8.704 210 HB2 LYS 28 2HB LYS 28 2.831 -14.598 10.352 211 HB3 LYS 28 3HB LYS 28 2.163 -13.831 8.918 212 HG2 LYS 28 2HG LYS 28 2.487 -15.887 7.652 213 HG3 LYS 28 3HG LYS 28 3.187 -16.660 9.077 214 HD2 LYS 28 2HD LYS 28 0.934 -15.959 10.202 215 HD3 LYS 28 3HD LYS 28 0.354 -15.876 8.537 216 HE2 LYS 28 2HE LYS 28 1.612 -18.260 8.491 217 HE3 LYS 28 3HE LYS 28 1.103 -18.210 10.178 218 HZ1 LYS 28 3HZ LYS 28 -1.171 -17.630 9.273 219 HZ2 LYS 28 1HZ LYS 28 -0.646 -19.219 9.027 220 HZ3 LYS 28 2HZ LYS 28 -0.591 -18.105 7.756 221 H HIS 29 H HIS 29 4.053 -11.618 8.546 222 HA HIS 29 HA HIS 29 3.310 -11.601 5.791 223 HB2 HIS 29 2HB HIS 29 2.962 -9.837 7.789 224 HB3 HIS 29 3HB HIS 29 4.382 -9.125 7.029 225 HD1 HIS 29 HD1 HIS 29 1.054 -8.452 7.034 226 HD2 HIS 29 HD2 HIS 29 3.648 -9.353 3.916 227 HE1 HIS 29 HE1 HIS 29 -0.035 -7.527 4.965 228 H PHE 30 H PHE 30 6.247 -10.557 7.517 229 HA PHE 30 HA PHE 30 7.718 -9.882 5.218 230 HB2 PHE 30 2HB PHE 30 8.908 -10.871 7.809 231 HB3 PHE 30 3HB PHE 30 9.627 -9.764 6.644 232 HD1 PHE 30 HD1 PHE 30 7.480 -7.864 6.147 233 HD2 PHE 30 HD2 PHE 30 8.711 -9.698 9.785 234 HE1 PHE 30 HE1 PHE 30 6.583 -5.953 7.409 235 HE2 PHE 30 HE2 PHE 30 7.815 -7.790 11.054 236 HZ PHE 30 HZ PHE 30 6.748 -5.914 9.866 237 H LEU 31 H LEU 31 7.440 -12.894 7.039 238 HA LEU 31 HA LEU 31 9.457 -14.355 5.792 239 HB2 LEU 31 2HB LEU 31 6.880 -15.099 7.111 240 HB3 LEU 31 3HB LEU 31 7.850 -16.335 6.313 241 HG LEU 31 HG LEU 31 9.362 -14.679 8.193 242 HD11 LEU 31 1HD1 LEU 31 7.604 -16.640 9.542 243 HD12 LEU 31 2HD1 LEU 31 6.895 -15.084 9.110 244 HD13 LEU 31 3HD1 LEU 31 8.318 -15.146 10.149 245 HD21 LEU 31 3HD2 LEU 31 10.605 -16.526 8.265 246 HD22 LEU 31 1HD2 LEU 31 9.574 -17.158 6.981 247 HD23 LEU 31 2HD2 LEU 31 9.216 -17.537 8.666 248 H ASP 32 H ASP 32 6.192 -13.625 4.748 249 HA ASP 32 HA ASP 32 6.052 -15.484 2.625 250 HB2 ASP 32 2HB ASP 32 4.408 -13.426 3.713 251 HB3 ASP 32 3HB ASP 32 4.536 -13.159 1.976 252 H GLY 33 H GLY 33 7.665 -12.457 2.982 253 HA2 GLY 33 2HA GLY 33 7.830 -11.684 0.271 254 HA3 GLY 33 3HA GLY 33 8.937 -11.195 1.546 255 H GLY 34 H GLY 34 9.769 -13.888 2.214 256 HA2 GLY 34 2HA GLY 34 11.854 -14.153 0.267 257 HA3 GLY 34 3HA GLY 34 11.605 -15.178 1.673 258 H GLU 35 H GLU 35 9.259 -16.363 1.321 259 HA GLU 35 HA GLU 35 9.761 -18.373 -0.545 260 HB2 GLU 35 2HB GLU 35 7.109 -17.578 0.670 261 HB3 GLU 35 3HB GLU 35 7.453 -19.112 -0.118 262 HG2 GLU 35 2HG GLU 35 9.198 -19.527 1.610 263 HG3 GLU 35 3HG GLU 35 8.646 -18.073 2.438 264 H MET 36 H MET 36 8.293 -15.281 -0.933 265 HA MET 36 HA MET 36 6.826 -15.873 -3.312 266 HB2 MET 36 2HB MET 36 7.405 -13.514 -1.672 267 HB3 MET 36 3HB MET 36 7.290 -13.163 -3.392 268 HG2 MET 36 2HG MET 36 5.128 -14.844 -2.794 269 HG3 MET 36 3HG MET 36 5.208 -13.657 -1.494 270 HE1 MET 36 3HE MET 36 6.288 -11.295 -2.414 271 HE2 MET 36 1HE MET 36 5.405 -10.362 -3.623 272 HE3 MET 36 2HE MET 36 4.628 -10.789 -2.099 273 H ILE 37 H ILE 37 10.068 -14.740 -2.595 274 HA ILE 37 HA ILE 37 10.700 -14.084 -5.317 275 HB ILE 37 HB ILE 37 11.835 -13.426 -2.929 276 HG12 ILE 37 2HG1 ILE 37 12.102 -12.080 -4.880 277 HG13 ILE 37 3HG1 ILE 37 13.723 -12.515 -4.350 278 HG21 ILE 37 1HG2 ILE 37 12.815 -15.732 -2.824 279 HG22 ILE 37 2HG2 ILE 37 13.788 -15.310 -4.233 280 HG23 ILE 37 3HG2 ILE 37 13.989 -14.420 -2.724 281 HD11 ILE 37 3HD1 ILE 37 13.753 -14.303 -6.050 282 HD12 ILE 37 1HD1 ILE 37 12.180 -13.745 -6.619 283 HD13 ILE 37 2HD1 ILE 37 13.586 -12.687 -6.736 284 H VAL 38 H VAL 38 10.839 -16.922 -3.333 285 HA VAL 38 HA VAL 38 12.793 -18.443 -4.549 286 HB VAL 38 HB VAL 38 10.117 -19.403 -3.526 287 HG11 VAL 38 1HG1 VAL 38 10.870 -21.244 -4.670 288 HG12 VAL 38 2HG1 VAL 38 12.569 -20.827 -4.442 289 HG13 VAL 38 3HG1 VAL 38 11.638 -21.500 -3.104 290 HG21 VAL 38 3HG2 VAL 38 11.415 -19.932 -1.471 291 HG22 VAL 38 1HG2 VAL 38 12.789 -19.076 -2.170 292 HG23 VAL 38 2HG2 VAL 38 11.298 -18.205 -1.811 293 H THR 39 H THR 39 9.594 -17.637 -5.701 294 HA THR 39 HA THR 39 9.320 -19.571 -7.709 295 HB THR 39 HB THR 39 7.503 -18.035 -6.926 296 HG1 THR 39 HG1 THR 39 6.849 -18.987 -8.733 297 HG21 THR 39 3HG2 THR 39 8.414 -16.004 -8.901 298 HG22 THR 39 1HG2 THR 39 9.158 -16.002 -7.303 299 HG23 THR 39 2HG2 THR 39 7.412 -15.810 -7.464 300 H ALA 40 H ALA 40 11.107 -16.568 -7.611 301 HA ALA 40 HA ALA 40 11.536 -16.210 -10.363 302 HB1 ALA 40 1HB ALA 40 13.145 -15.382 -7.960 303 HB2 ALA 40 2HB ALA 40 13.572 -14.922 -9.608 304 HB3 ALA 40 3HB ALA 40 12.033 -14.404 -8.919 305 H ALA 41 H ALA 41 13.523 -17.865 -7.917 306 HA ALA 41 HA ALA 41 15.508 -18.718 -9.764 307 HB1 ALA 41 1HB ALA 41 16.216 -18.596 -7.541 308 HB2 ALA 41 2HB ALA 41 14.824 -19.504 -6.951 309 HB3 ALA 41 3HB ALA 41 16.092 -20.327 -7.859 310 H GLU 42 H GLU 42 12.459 -20.027 -8.701 311 HA GLU 42 HA GLU 42 12.949 -22.666 -9.742 312 HB2 GLU 42 2HB GLU 42 10.463 -21.297 -8.716 313 HB3 GLU 42 3HB GLU 42 10.471 -22.951 -9.311 314 HG2 GLU 42 2HG GLU 42 12.565 -22.745 -7.439 315 HG3 GLU 42 3HG GLU 42 11.154 -21.966 -6.727 316 H LYS 43 H LYS 43 11.924 -19.671 -11.015 317 HA LYS 43 HA LYS 43 10.673 -20.933 -13.346 318 HB2 LYS 43 2HB LYS 43 10.528 -18.257 -12.082 319 HB3 LYS 43 3HB LYS 43 10.424 -18.292 -13.837 320 HG2 LYS 43 2HG LYS 43 8.382 -19.246 -13.833 321 HG3 LYS 43 3HG LYS 43 8.721 -20.226 -12.405 322 HD2 LYS 43 2HD LYS 43 8.503 -18.194 -11.009 323 HD3 LYS 43 3HD LYS 43 8.063 -17.280 -12.454 324 HE2 LYS 43 2HE LYS 43 6.329 -19.364 -12.598 325 HE3 LYS 43 3HE LYS 43 6.484 -19.173 -10.852 326 HZ1 LYS 43 3HZ LYS 43 4.775 -17.742 -11.352 327 HZ2 LYS 43 1HZ LYS 43 5.435 -17.274 -12.838 328 HZ3 LYS 43 2HZ LYS 43 6.098 -16.688 -11.396 329 H GLU 44 H GLU 44 13.589 -19.481 -12.315 330 HA GLU 44 HA GLU 44 14.468 -19.121 -15.101 331 HB2 GLU 44 2HB GLU 44 15.984 -17.499 -14.398 332 HB3 GLU 44 3HB GLU 44 14.586 -17.197 -13.375 333 HG2 GLU 44 2HG GLU 44 15.810 -18.783 -11.711 334 HG3 GLU 44 3HG GLU 44 17.232 -18.369 -12.667 335 H ALA 45 H ALA 45 17.091 -19.325 -15.027 336 HA ALA 45 HA ALA 45 18.209 -21.366 -13.448 337 HB1 ALA 45 1HB ALA 45 16.661 -22.256 -15.756 338 HB2 ALA 45 2HB ALA 45 18.315 -22.869 -15.735 339 HB3 ALA 45 3HB ALA 45 17.248 -23.165 -14.363 340 H SER 46 H SER 46 20.375 -21.920 -14.089 341 HA SER 46 HA SER 46 22.449 -21.425 -14.881 342 HB2 SER 46 2HB SER 46 21.026 -21.911 -17.083 343 HB3 SER 46 3HB SER 46 21.368 -20.207 -17.379 344 HG SER 46 HG SER 46 22.939 -21.872 -18.155 345 H GLN 47 H GLN 47 20.820 -19.406 -13.441 346 HA GLN 47 HA GLN 47 22.075 -16.944 -14.450 347 HB2 GLN 47 2HB GLN 47 19.487 -17.232 -14.016 348 HB3 GLN 47 3HB GLN 47 19.950 -16.909 -12.351 349 HG2 GLN 47 2HG GLN 47 19.471 -14.800 -13.070 350 HG3 GLN 47 3HG GLN 47 21.199 -14.871 -13.412 351 HE21 GLN 47 1HE2 GLN 47 18.022 -14.712 -14.736 352 HE22 GLN 47 2HE2 GLN 47 18.486 -14.488 -16.385 353 H LYS 48 H LYS 48 23.489 -15.828 -13.219 354 HA LYS 48 HA LYS 48 24.679 -17.131 -10.982 355 HB2 LYS 48 2HB LYS 48 25.102 -14.288 -11.919 356 HB3 LYS 48 3HB LYS 48 26.183 -15.235 -10.905 357 HG2 LYS 48 2HG LYS 48 25.989 -16.835 -13.082 358 HG3 LYS 48 3HG LYS 48 25.837 -15.236 -13.816 359 HD2 LYS 48 2HD LYS 48 28.110 -15.435 -13.826 360 HD3 LYS 48 3HD LYS 48 27.894 -14.720 -12.227 361 HE2 LYS 48 2HE LYS 48 29.095 -16.457 -11.487 362 HE3 LYS 48 3HE LYS 48 27.618 -17.392 -11.711 363 HZ1 LYS 48 3HZ LYS 48 28.780 -18.639 -13.111 364 HZ2 LYS 48 1HZ LYS 48 30.089 -17.567 -13.114 365 HZ3 LYS 48 2HZ LYS 48 28.800 -17.330 -14.183 366 H VAL 49 H VAL 49 22.366 -14.534 -11.375 367 HA VAL 49 HA VAL 49 22.468 -13.689 -8.632 368 HB VAL 49 HB VAL 49 20.582 -12.273 -9.154 369 HG11 VAL 49 1HG1 VAL 49 21.603 -10.860 -10.707 370 HG12 VAL 49 2HG1 VAL 49 22.945 -11.785 -10.032 371 HG13 VAL 49 3HG1 VAL 49 22.292 -12.204 -11.617 372 HG21 VAL 49 3HG2 VAL 49 19.960 -12.533 -11.789 373 HG22 VAL 49 1HG2 VAL 49 20.200 -14.215 -11.318 374 HG23 VAL 49 2HG2 VAL 49 19.021 -13.220 -10.464 375 H ARG 50 H ARG 50 20.602 -15.968 -10.510 376 HA ARG 50 HA ARG 50 18.365 -16.364 -8.977 377 HB2 ARG 50 2HB ARG 50 18.662 -17.560 -11.041 378 HB3 ARG 50 3HB ARG 50 20.070 -18.402 -10.409 379 HG2 ARG 50 2HG ARG 50 17.914 -18.929 -8.658 380 HG3 ARG 50 3HG ARG 50 17.338 -19.170 -10.309 381 HD2 ARG 50 2HD ARG 50 18.244 -21.213 -10.087 382 HD3 ARG 50 3HD ARG 50 19.762 -20.380 -10.420 383 HE ARG 50 HE ARG 50 19.538 -20.167 -7.740 384 HH11 ARG 50 2HH1 ARG 50 19.312 -22.861 -9.934 385 HH12 ARG 50 1HH1 ARG 50 19.905 -24.015 -8.785 386 HH21 ARG 50 2HH2 ARG 50 20.320 -21.676 -6.219 387 HH22 ARG 50 1HH2 ARG 50 20.477 -23.339 -6.672 388 H ASN 51 H ASN 51 21.514 -17.974 -8.541 389 HA ASN 51 HA ASN 51 20.850 -19.462 -6.278 390 HB2 ASN 51 2HB ASN 51 22.943 -19.663 -7.694 391 HB3 ASN 51 3HB ASN 51 23.575 -18.273 -6.816 392 HD21 ASN 51 1HD2 ASN 51 24.873 -18.788 -5.226 393 HD22 ASN 51 2HD2 ASN 51 24.791 -20.216 -4.257 394 H LEU 52 H LEU 52 21.613 -16.093 -6.631 395 HA LEU 52 HA LEU 52 22.142 -15.636 -3.843 396 HB2 LEU 52 2HB LEU 52 22.918 -14.281 -5.921 397 HB3 LEU 52 3HB LEU 52 21.350 -13.491 -5.772 398 HG LEU 52 HG LEU 52 21.947 -12.754 -3.507 399 HD11 LEU 52 1HD1 LEU 52 24.484 -14.241 -4.108 400 HD12 LEU 52 2HD1 LEU 52 23.423 -14.387 -2.708 401 HD13 LEU 52 3HD1 LEU 52 24.418 -12.945 -2.913 402 HD21 LEU 52 3HD2 LEU 52 23.245 -10.964 -4.185 403 HD22 LEU 52 1HD2 LEU 52 22.553 -11.520 -5.709 404 HD23 LEU 52 2HD2 LEU 52 24.212 -11.946 -5.286 405 H LEU 53 H LEU 53 19.376 -15.378 -5.992 406 HA LEU 53 HA LEU 53 17.643 -13.897 -4.409 407 HB2 LEU 53 2HB LEU 53 17.312 -15.953 -6.524 408 HB3 LEU 53 3HB LEU 53 15.897 -15.533 -5.562 409 HG LEU 53 HG LEU 53 15.780 -14.212 -7.509 410 HD11 LEU 53 1HD1 LEU 53 15.508 -12.153 -6.587 411 HD12 LEU 53 2HD1 LEU 53 17.065 -12.192 -5.760 412 HD13 LEU 53 3HD1 LEU 53 15.697 -13.094 -5.107 413 HD21 LEU 53 3HD2 LEU 53 17.636 -12.798 -8.283 414 HD22 LEU 53 1HD2 LEU 53 18.050 -14.512 -8.308 415 HD23 LEU 53 2HD2 LEU 53 18.665 -13.475 -7.020 416 H LEU 54 H LEU 54 18.126 -17.420 -4.473 417 HA LEU 54 HA LEU 54 16.278 -17.923 -2.361 418 HB2 LEU 54 2HB LEU 54 18.511 -19.662 -3.397 419 HB3 LEU 54 3HB LEU 54 17.167 -20.188 -2.386 420 HG LEU 54 HG LEU 54 16.677 -19.002 -5.096 421 HD11 LEU 54 1HD1 LEU 54 17.286 -21.892 -4.491 422 HD12 LEU 54 2HD1 LEU 54 18.287 -20.794 -5.440 423 HD13 LEU 54 3HD1 LEU 54 16.691 -21.262 -6.028 424 HD21 LEU 54 3HD2 LEU 54 14.603 -20.098 -4.954 425 HD22 LEU 54 1HD2 LEU 54 14.862 -19.394 -3.358 426 HD23 LEU 54 2HD2 LEU 54 15.137 -21.117 -3.617 427 H HIS 55 H HIS 55 19.835 -17.937 -2.529 428 HA HIS 55 HA HIS 55 20.407 -18.545 0.100 429 HB2 HIS 55 2HB HIS 55 21.992 -18.145 -1.914 430 HB3 HIS 55 3HB HIS 55 21.997 -16.467 -1.379 431 HD1 HIS 55 HD1 HIS 55 23.417 -15.889 0.633 432 HD2 HIS 55 HD2 HIS 55 23.184 -19.977 -0.069 433 HE1 HIS 55 HE1 HIS 55 25.119 -16.932 2.163 434 H LYS 56 H LYS 56 19.692 -15.377 -1.315 435 HA LYS 56 HA LYS 56 20.028 -13.961 1.147 436 HB2 LYS 56 2HB LYS 56 18.807 -13.221 -1.509 437 HB3 LYS 56 3HB LYS 56 18.839 -12.111 -0.145 438 HG2 LYS 56 2HG LYS 56 21.342 -13.388 -1.189 439 HG3 LYS 56 3HG LYS 56 20.685 -11.909 -1.893 440 HD2 LYS 56 2HD LYS 56 21.072 -10.670 0.023 441 HD3 LYS 56 3HD LYS 56 21.095 -12.096 1.063 442 HE2 LYS 56 2HE LYS 56 23.273 -12.593 0.563 443 HE3 LYS 56 3HE LYS 56 23.189 -11.851 -1.034 444 HZ1 LYS 56 3HZ LYS 56 23.851 -10.662 1.527 445 HZ2 LYS 56 1HZ LYS 56 22.859 -9.721 0.530 446 HZ3 LYS 56 2HZ LYS 56 24.368 -10.243 -0.029 447 H GLY 57 H GLY 57 17.362 -15.517 -0.493 448 HA2 GLY 57 2HA GLY 57 15.260 -14.307 0.977 449 HA3 GLY 57 3HA GLY 57 15.160 -15.821 0.091 450 H LYS 58 H LYS 58 16.822 -17.490 1.344 451 HA LYS 58 HA LYS 58 15.397 -18.220 3.662 452 HB2 LYS 58 2HB LYS 58 17.200 -19.913 3.963 453 HB3 LYS 58 3HB LYS 58 16.504 -19.907 2.348 454 HG2 LYS 58 2HG LYS 58 18.749 -20.075 1.896 455 HG3 LYS 58 3HG LYS 58 18.492 -18.332 1.782 456 HD2 LYS 58 2HD LYS 58 20.051 -18.025 3.336 457 HD3 LYS 58 3HD LYS 58 19.055 -18.916 4.490 458 HE2 LYS 58 2HE LYS 58 20.081 -20.998 3.831 459 HE3 LYS 58 3HE LYS 58 20.986 -20.188 2.553 460 HZ1 LYS 58 3HZ LYS 58 22.203 -20.678 4.706 461 HZ2 LYS 58 1HZ LYS 58 21.293 -19.429 5.394 462 HZ3 LYS 58 2HZ LYS 58 22.333 -19.104 4.101 463 H GLU 59 H GLU 59 18.025 -16.074 3.175 464 HA GLU 59 HA GLU 59 19.067 -16.222 5.851 465 HB2 GLU 59 2HB GLU 59 19.670 -14.734 3.388 466 HB3 GLU 59 3HB GLU 59 19.960 -13.831 4.868 467 HG2 GLU 59 2HG GLU 59 21.043 -16.595 4.449 468 HG3 GLU 59 3HG GLU 59 21.900 -15.153 3.908 469 H VAL 60 H VAL 60 17.399 -13.625 4.056 470 HA VAL 60 HA VAL 60 16.942 -11.891 6.143 471 HB VAL 60 HB VAL 60 14.964 -11.079 4.876 472 HG11 VAL 60 1HG1 VAL 60 16.533 -9.910 3.826 473 HG12 VAL 60 2HG1 VAL 60 17.688 -11.236 3.982 474 HG13 VAL 60 3HG1 VAL 60 16.596 -11.173 2.598 475 HG21 VAL 60 3HG2 VAL 60 14.193 -13.282 4.080 476 HG22 VAL 60 1HG2 VAL 60 14.359 -12.112 2.771 477 HG23 VAL 60 2HG2 VAL 60 15.585 -13.359 2.999 478 H LEU 61 H LEU 61 15.276 -14.861 5.370 479 HA LEU 61 HA LEU 61 12.995 -14.448 6.997 480 HB2 LEU 61 2HB LEU 61 14.191 -16.634 5.481 481 HB3 LEU 61 3HB LEU 61 13.365 -17.172 6.942 482 HG LEU 61 HG LEU 61 11.360 -15.833 6.085 483 HD11 LEU 61 1HD1 LEU 61 12.240 -16.229 3.332 484 HD12 LEU 61 2HD1 LEU 61 13.139 -14.977 4.189 485 HD13 LEU 61 3HD1 LEU 61 11.382 -14.875 4.069 486 HD21 LEU 61 3HD2 LEU 61 12.279 -18.258 4.543 487 HD22 LEU 61 1HD2 LEU 61 10.617 -17.685 4.692 488 HD23 LEU 61 2HD2 LEU 61 11.475 -18.280 6.113 489 H GLU 62 H GLU 62 15.958 -16.354 7.553 490 HA GLU 62 HA GLU 62 15.332 -16.962 10.251 491 HB2 GLU 62 2HB GLU 62 17.656 -17.298 8.456 492 HB3 GLU 62 3HB GLU 62 18.027 -17.232 10.173 493 HG2 GLU 62 2HG GLU 62 15.860 -18.959 9.991 494 HG3 GLU 62 3HG GLU 62 16.881 -19.369 8.614 495 H TRP 63 H TRP 63 16.943 -14.295 8.690 496 HA TRP 63 HA TRP 63 18.144 -13.242 11.065 497 HB2 TRP 63 2HB TRP 63 17.888 -12.427 8.237 498 HB3 TRP 63 3HB TRP 63 18.032 -11.105 9.393 499 HD1 TRP 63 HD1 TRP 63 19.882 -14.463 9.759 500 HE1 TRP 63 HE1 TRP 63 22.413 -14.006 9.657 501 HE3 TRP 63 HE3 TRP 63 19.761 -9.483 8.610 502 HZ2 TRP 63 HZ2 TRP 63 24.131 -11.823 9.156 503 HZ3 TRP 63 HZ3 TRP 63 21.892 -8.284 8.337 504 HH2 TRP 63 HH2 TRP 63 24.030 -9.431 8.605 505 H ALA 64 H ALA 64 15.242 -12.448 9.178 506 HA ALA 64 HA ALA 64 14.378 -10.237 10.619 507 HB1 ALA 64 1HB ALA 64 13.041 -12.270 8.917 508 HB2 ALA 64 2HB ALA 64 12.025 -11.218 9.903 509 HB3 ALA 64 3HB ALA 64 13.138 -10.519 8.728 510 H GLU 65 H GLU 65 14.152 -13.645 11.374 511 HA GLU 65 HA GLU 65 12.266 -13.321 13.508 512 HB2 GLU 65 2HB GLU 65 14.098 -15.608 12.769 513 HB3 GLU 65 3HB GLU 65 12.914 -15.678 14.067 514 HG2 GLU 65 2HG GLU 65 11.500 -14.792 11.833 515 HG3 GLU 65 3HG GLU 65 12.562 -16.068 11.242 516 H HIS 66 H HIS 66 15.678 -13.017 13.174 517 HA HIS 66 HA HIS 66 16.419 -13.499 15.870 518 HB2 HIS 66 2HB HIS 66 17.730 -12.812 13.447 519 HB3 HIS 66 3HB HIS 66 18.190 -11.611 14.650 520 HD1 HIS 66 HD1 HIS 66 18.595 -13.159 17.142 521 HD2 HIS 66 HD2 HIS 66 19.689 -14.663 13.426 522 HE1 HIS 66 HE1 HIS 66 20.338 -14.911 17.611 523 H LEU 67 H LEU 67 15.960 -10.460 14.062 524 HA LEU 67 HA LEU 67 16.220 -8.812 16.365 525 HB2 LEU 67 2HB LEU 67 15.740 -7.008 14.964 526 HB3 LEU 67 3HB LEU 67 16.576 -8.167 13.933 527 HG LEU 67 HG LEU 67 14.027 -8.853 13.418 528 HD11 LEU 67 1HD1 LEU 67 13.835 -5.873 13.629 529 HD12 LEU 67 2HD1 LEU 67 13.358 -6.912 14.972 530 HD13 LEU 67 3HD1 LEU 67 12.550 -7.061 13.412 531 HD21 LEU 67 3HD2 LEU 67 15.866 -6.857 12.165 532 HD22 LEU 67 1HD2 LEU 67 14.264 -7.136 11.482 533 HD23 LEU 67 2HD2 LEU 67 15.412 -8.469 11.609 534 H ALA 68 H ALA 68 13.529 -10.362 14.757 535 HA ALA 68 HA ALA 68 11.436 -8.912 15.966 536 HB1 ALA 68 1HB ALA 68 10.070 -10.967 15.419 537 HB2 ALA 68 2HB ALA 68 10.909 -10.211 14.064 538 HB3 ALA 68 3HB ALA 68 11.558 -11.679 14.794 539 H GLU 69 H GLU 69 13.314 -11.692 17.010 540 HA GLU 69 HA GLU 69 11.646 -12.198 19.307 541 HB2 GLU 69 2HB GLU 69 14.271 -13.317 18.348 542 HB3 GLU 69 3HB GLU 69 13.605 -13.740 19.919 543 HG2 GLU 69 2HG GLU 69 11.707 -14.024 17.720 544 HG3 GLU 69 3HG GLU 69 13.125 -15.061 17.584 545 H TRP 70 H TRP 70 14.340 -10.205 18.552 546 HA TRP 70 HA TRP 70 15.742 -9.925 20.870 547 HB2 TRP 70 2HB TRP 70 15.687 -8.556 18.545 548 HB3 TRP 70 3HB TRP 70 14.942 -7.365 19.609 549 HD1 TRP 70 HD1 TRP 70 16.517 -6.007 21.162 550 HE1 TRP 70 HE1 TRP 70 19.054 -5.999 21.595 551 HE3 TRP 70 HE3 TRP 70 17.787 -10.263 18.630 552 HZ2 TRP 70 HZ2 TRP 70 21.297 -7.586 20.948 553 HZ3 TRP 70 HZ3 TRP 70 20.150 -10.948 18.585 554 HH2 TRP 70 HH2 TRP 70 21.867 -9.636 19.720 555 H ILE 71 H ILE 71 12.523 -8.687 20.179 556 HA ILE 71 HA ILE 71 12.139 -6.931 22.264 557 HB ILE 71 HB ILE 71 9.730 -7.581 22.192 558 HG12 ILE 71 2HG1 ILE 71 10.816 -9.696 20.334 559 HG13 ILE 71 3HG1 ILE 71 9.826 -9.923 21.771 560 HG21 ILE 71 1HG2 ILE 71 10.573 -7.373 19.356 561 HG22 ILE 71 2HG2 ILE 71 9.383 -6.435 20.257 562 HG23 ILE 71 3HG2 ILE 71 11.103 -6.109 20.465 563 HD11 ILE 71 3HD1 ILE 71 8.295 -10.242 20.102 564 HD12 ILE 71 1HD1 ILE 71 8.081 -8.523 20.433 565 HD13 ILE 71 2HD1 ILE 71 9.035 -9.042 19.043 566 H LEU 72 H LEU 72 11.789 -10.461 22.299 567 HA LEU 72 HA LEU 72 10.981 -10.578 25.034 568 HB2 LEU 72 2HB LEU 72 12.177 -12.781 23.363 569 HB3 LEU 72 3HB LEU 72 11.203 -12.960 24.821 570 HG LEU 72 HG LEU 72 9.684 -11.512 22.893 571 HD11 LEU 72 1HD1 LEU 72 10.339 -14.188 21.782 572 HD12 LEU 72 2HD1 LEU 72 11.435 -12.849 21.441 573 HD13 LEU 72 3HD1 LEU 72 9.738 -12.741 20.973 574 HD21 LEU 72 3HD2 LEU 72 8.095 -13.239 23.267 575 HD22 LEU 72 1HD2 LEU 72 8.923 -12.962 24.799 576 HD23 LEU 72 2HD2 LEU 72 9.344 -14.361 23.810 577 H GLU 73 H GLU 73 14.046 -10.996 23.324 578 HA GLU 73 HA GLU 73 15.630 -11.946 25.385 579 HB2 GLU 73 2HB GLU 73 16.222 -11.523 22.914 580 HB3 GLU 73 3HB GLU 73 16.622 -9.890 23.425 581 HG2 GLU 73 2HG GLU 73 18.667 -10.884 23.562 582 HG3 GLU 73 3HG GLU 73 18.082 -11.131 25.206 583 H HIS 74 H HIS 74 14.391 -8.735 24.836 584 HA HIS 74 HA HIS 74 16.112 -7.475 26.769 585 HB2 HIS 74 2HB HIS 74 15.161 -6.270 24.800 586 HB3 HIS 74 3HB HIS 74 13.565 -6.415 25.529 587 HD1 HIS 74 HD1 HIS 74 13.819 -3.688 25.292 588 HD2 HIS 74 HD2 HIS 74 16.062 -5.574 28.236 589 HE1 HIS 74 HE1 HIS 74 14.482 -1.871 26.899 Start of MODEL 11 1 H1 MET 1 H MET 1 4.051 -0.206 -1.543 2 HA MET 1 HA MET 1 4.695 -2.702 -0.990 3 HB2 MET 1 2HB MET 1 2.463 -1.627 -0.560 4 HB3 MET 1 3HB MET 1 1.990 -2.094 -2.188 5 HG2 MET 1 2HG MET 1 1.872 -4.322 -1.668 6 HG3 MET 1 3HG MET 1 3.012 -4.180 -0.332 7 HE1 MET 1 3HE MET 1 0.346 -5.543 1.635 8 HE2 MET 1 1HE MET 1 -0.508 -5.579 0.093 9 HE3 MET 1 2HE MET 1 1.217 -5.941 0.153 10 H GLY 2 H GLY 2 5.162 -4.597 -1.946 11 HA2 GLY 2 2HA GLY 2 4.711 -6.205 -3.727 12 HA3 GLY 2 3HA GLY 2 4.603 -4.846 -4.835 13 H THR 3 H THR 3 7.089 -4.708 -2.474 14 HA THR 3 HA THR 3 9.068 -5.767 -4.366 15 HB THR 3 HB THR 3 10.574 -3.824 -3.738 16 HG1 THR 3 HG1 THR 3 9.233 -1.899 -3.168 17 HG21 THR 3 3HG2 THR 3 8.082 -3.403 -5.377 18 HG22 THR 3 1HG2 THR 3 9.686 -3.871 -5.940 19 HG23 THR 3 2HG2 THR 3 9.407 -2.240 -5.330 20 H ILE 4 H ILE 4 10.934 -6.608 -3.439 21 HA ILE 4 HA ILE 4 10.739 -7.852 -0.986 22 HB ILE 4 HB ILE 4 13.279 -7.023 -2.395 23 HG12 ILE 4 2HG1 ILE 4 11.858 -8.372 -3.832 24 HG13 ILE 4 3HG1 ILE 4 13.227 -9.336 -3.289 25 HG21 ILE 4 1HG2 ILE 4 13.567 -9.443 -0.952 26 HG22 ILE 4 2HG2 ILE 4 14.393 -7.908 -0.694 27 HG23 ILE 4 3HG2 ILE 4 12.875 -8.243 0.139 28 HD11 ILE 4 3HD1 ILE 4 11.799 -10.881 -2.621 29 HD12 ILE 4 1HD1 ILE 4 11.188 -9.752 -1.413 30 HD13 ILE 4 2HD1 ILE 4 10.430 -9.837 -3.003 31 H ASP 5 H ASP 5 12.177 -4.719 -1.759 32 HA ASP 5 HA ASP 5 13.408 -4.133 0.649 33 HB2 ASP 5 2HB ASP 5 12.496 -2.651 -1.668 34 HB3 ASP 5 3HB ASP 5 12.279 -1.714 -0.192 35 H ASP 6 H ASP 6 10.021 -4.132 -0.171 36 HA ASP 6 HA ASP 6 9.051 -2.586 1.971 37 HB2 ASP 6 2HB ASP 6 7.830 -3.460 -0.150 38 HB3 ASP 6 3HB ASP 6 7.516 -4.898 0.819 39 H ALA 7 H ALA 7 10.028 -5.931 1.734 40 HA ALA 7 HA ALA 7 8.835 -6.832 4.145 41 HB1 ALA 7 1HB ALA 7 9.453 -8.462 2.534 42 HB2 ALA 7 2HB ALA 7 11.124 -7.898 2.507 43 HB3 ALA 7 3HB ALA 7 10.491 -8.712 3.938 44 H PHE 8 H PHE 8 12.163 -5.828 3.362 45 HA PHE 8 HA PHE 8 13.150 -6.089 5.996 46 HB2 PHE 8 2HB PHE 8 14.229 -4.217 3.887 47 HB3 PHE 8 3HB PHE 8 15.111 -4.967 5.214 48 HD1 PHE 8 HD2 PHE 8 14.220 -7.754 5.025 49 HD2 PHE 8 HD1 PHE 8 15.261 -4.986 1.965 50 HE1 PHE 8 HE2 PHE 8 14.845 -9.623 3.552 51 HE2 PHE 8 HE1 PHE 8 15.887 -6.850 0.486 52 HZ PHE 8 HZ PHE 8 15.680 -9.172 1.279 53 H ARG 9 H ARG 9 11.529 -3.498 4.298 54 HA ARG 9 HA ARG 9 12.101 -1.507 6.291 55 HB2 ARG 9 2HB ARG 9 10.283 -1.602 3.893 56 HB3 ARG 9 3HB ARG 9 10.266 -0.243 5.010 57 HG2 ARG 9 2HG ARG 9 12.782 -0.094 4.578 58 HG3 ARG 9 3HG ARG 9 12.473 -1.153 3.201 59 HD2 ARG 9 2HD ARG 9 12.123 0.769 2.092 60 HD3 ARG 9 3HD ARG 9 10.539 0.718 2.865 61 HE ARG 9 HE ARG 9 11.153 2.501 4.169 62 HH11 ARG 9 2HH1 ARG 9 13.983 1.151 2.655 63 HH12 ARG 9 1HH1 ARG 9 15.026 2.440 3.158 64 HH21 ARG 9 2HH2 ARG 9 12.516 4.203 4.837 65 HH22 ARG 9 1HH2 ARG 9 14.191 4.175 4.399 66 H ALA 10 H ALA 10 9.479 -3.728 5.579 67 HA ALA 10 HA ALA 10 7.658 -2.588 7.476 68 HB1 ALA 10 1HB ALA 10 7.684 -5.080 5.821 69 HB2 ALA 10 2HB ALA 10 6.488 -4.867 7.100 70 HB3 ALA 10 3HB ALA 10 6.571 -3.713 5.768 71 H ILE 11 H ILE 11 10.199 -4.946 7.575 72 HA ILE 11 HA ILE 11 9.535 -6.504 9.745 73 HB ILE 11 HB ILE 11 11.671 -6.509 8.249 74 HG12 ILE 11 2HG1 ILE 11 12.905 -7.749 10.079 75 HG13 ILE 11 3HG1 ILE 11 11.626 -7.246 11.179 76 HG21 ILE 11 1HG2 ILE 11 13.569 -5.417 9.026 77 HG22 ILE 11 2HG2 ILE 11 12.300 -4.211 9.232 78 HG23 ILE 11 3HG2 ILE 11 12.874 -5.134 10.621 79 HD11 ILE 11 3HD1 ILE 11 10.273 -8.362 9.042 80 HD12 ILE 11 1HD1 ILE 11 11.678 -9.405 9.263 81 HD13 ILE 11 2HD1 ILE 11 10.577 -9.111 10.609 82 H GLU 12 H GLU 12 10.497 -3.161 9.680 83 HA GLU 12 HA GLU 12 11.304 -2.820 12.334 84 HB2 GLU 12 2HB GLU 12 10.902 -1.175 10.118 85 HB3 GLU 12 3HB GLU 12 9.799 -0.548 11.335 86 HG2 GLU 12 2HG GLU 12 11.555 -0.134 12.855 87 HG3 GLU 12 3HG GLU 12 12.702 -1.068 11.896 88 H ARG 13 H ARG 13 8.102 -2.886 10.882 89 HA ARG 13 HA ARG 13 6.660 -1.954 13.120 90 HB2 ARG 13 2HB ARG 13 6.053 -2.735 10.517 91 HB3 ARG 13 3HB ARG 13 5.201 -3.898 11.525 92 HG2 ARG 13 2HG ARG 13 3.613 -2.276 11.343 93 HG3 ARG 13 3HG ARG 13 4.437 -1.735 12.807 94 HD2 ARG 13 2HD ARG 13 5.584 -0.731 10.297 95 HD3 ARG 13 3HD ARG 13 3.945 -0.175 10.636 96 HE ARG 13 HE ARG 13 5.639 0.094 12.909 97 HH11 ARG 13 2HH1 ARG 13 4.817 1.547 9.854 98 HH12 ARG 13 1HH1 ARG 13 5.295 3.141 10.335 99 HH21 ARG 13 2HH2 ARG 13 6.273 2.188 13.554 100 HH22 ARG 13 1HH2 ARG 13 6.124 3.504 12.440 101 H ALA 14 H ALA 14 7.974 -5.067 12.285 102 HA ALA 14 HA ALA 14 6.430 -6.622 14.093 103 HB1 ALA 14 1HB ALA 14 8.625 -7.051 12.259 104 HB2 ALA 14 2HB ALA 14 8.845 -7.951 13.760 105 HB3 ALA 14 3HB ALA 14 7.377 -8.171 12.807 106 H ILE 15 H ILE 15 9.732 -5.297 14.289 107 HA ILE 15 HA ILE 15 10.163 -6.170 16.961 108 HB ILE 15 HB ILE 15 12.024 -5.688 15.430 109 HG12 ILE 15 2HG1 ILE 15 12.808 -3.706 17.329 110 HG13 ILE 15 3HG1 ILE 15 11.782 -4.877 18.151 111 HG21 ILE 15 1HG2 ILE 15 11.214 -2.801 15.753 112 HG22 ILE 15 2HG2 ILE 15 12.646 -3.390 14.911 113 HG23 ILE 15 3HG2 ILE 15 11.041 -3.763 14.286 114 HD11 ILE 15 3HD1 ILE 15 14.453 -5.136 17.777 115 HD12 ILE 15 1HD1 ILE 15 13.341 -6.473 18.067 116 HD13 ILE 15 2HD1 ILE 15 13.817 -6.064 16.419 117 H GLN 16 H GLN 16 8.894 -3.236 15.520 118 HA GLN 16 HA GLN 16 9.025 -1.554 17.758 119 HB2 GLN 16 2HB GLN 16 7.642 -1.577 15.179 120 HB3 GLN 16 3HB GLN 16 6.737 -0.757 16.444 121 HG2 GLN 16 2HG GLN 16 9.587 -0.057 16.275 122 HG3 GLN 16 3HG GLN 16 8.598 0.424 14.897 123 HE21 GLN 16 1HE2 GLN 16 8.739 2.600 15.333 124 HE22 GLN 16 2HE2 GLN 16 7.953 3.340 16.681 125 H ALA 17 H ALA 17 6.951 -4.210 17.023 126 HA ALA 17 HA ALA 17 4.672 -3.639 18.488 127 HB1 ALA 17 1HB ALA 17 4.512 -6.139 18.797 128 HB2 ALA 17 2HB ALA 17 4.686 -5.578 17.134 129 HB3 ALA 17 3HB ALA 17 6.074 -6.252 17.987 130 H GLU 18 H GLU 18 7.650 -5.235 19.618 131 HA GLU 18 HA GLU 18 8.521 -5.539 21.698 132 HB2 GLU 18 2HB GLU 18 6.961 -2.996 22.094 133 HB3 GLU 18 3HB GLU 18 7.893 -3.718 23.398 134 HG2 GLU 18 2HG GLU 18 9.104 -3.041 20.738 135 HG3 GLU 18 3HG GLU 18 9.013 -1.884 22.065 136 H ASN 19 H ASN 19 6.170 -6.999 21.045 137 HA ASN 19 HA ASN 19 5.128 -7.452 23.753 138 HB2 ASN 19 2HB ASN 19 3.461 -6.182 22.376 139 HB3 ASN 19 3HB ASN 19 3.416 -7.545 21.261 140 HD21 ASN 19 1HD2 ASN 19 2.928 -6.672 24.646 141 HD22 ASN 19 2HD2 ASN 19 1.700 -7.847 24.957 142 H GLU 20 H GLU 20 4.103 -9.624 23.975 143 HA GLU 20 HA GLU 20 5.514 -11.585 22.288 144 HB2 GLU 20 2HB GLU 20 4.549 -12.088 25.097 145 HB3 GLU 20 3HB GLU 20 5.696 -13.033 24.158 146 HG2 GLU 20 2HG GLU 20 7.323 -11.240 24.292 147 HG3 GLU 20 3HG GLU 20 6.171 -10.241 25.177 148 H GLY 21 H GLY 21 3.168 -10.688 21.290 149 HA2 GLY 21 2HA GLY 21 1.461 -13.058 21.585 150 HA3 GLY 21 3HA GLY 21 0.730 -11.472 21.783 151 H ARG 22 H ARG 22 1.266 -9.924 19.898 152 HA ARG 22 HA ARG 22 0.383 -11.243 17.488 153 HB2 ARG 22 2HB ARG 22 0.299 -8.932 16.565 154 HB3 ARG 22 3HB ARG 22 -0.631 -9.130 18.044 155 HG2 ARG 22 2HG ARG 22 0.878 -7.899 19.308 156 HG3 ARG 22 3HG ARG 22 2.177 -8.104 18.132 157 HD2 ARG 22 2HD ARG 22 1.035 -6.644 16.572 158 HD3 ARG 22 3HD ARG 22 -0.336 -6.501 17.672 159 HE ARG 22 HE ARG 22 1.977 -5.676 19.017 160 HH11 ARG 22 2HH1 ARG 22 -0.074 -4.672 16.390 161 HH12 ARG 22 1HH1 ARG 22 0.260 -2.985 16.600 162 HH21 ARG 22 2HH2 ARG 22 2.426 -3.458 19.305 163 HH22 ARG 22 1HH2 ARG 22 1.684 -2.296 18.258 164 H TYR 23 H TYR 23 3.360 -10.208 18.824 165 HA TYR 23 HA TYR 23 4.905 -9.509 16.666 166 HB2 TYR 23 2HB TYR 23 6.796 -10.094 17.943 167 HB3 TYR 23 3HB TYR 23 5.567 -9.686 19.135 168 HD1 TYR 23 HD2 TYR 23 4.013 -11.921 19.656 169 HD2 TYR 23 HD1 TYR 23 8.122 -11.870 18.550 170 HE1 TYR 23 HE2 TYR 23 4.324 -14.112 20.730 171 HE2 TYR 23 HE1 TYR 23 8.443 -14.061 19.620 172 HH TYR 23 HH TYR 23 6.031 -16.098 20.398 173 H ARG 24 H ARG 24 3.642 -12.644 17.493 174 HA ARG 24 HA ARG 24 5.350 -14.149 15.770 175 HB2 ARG 24 2HB ARG 24 3.695 -15.970 16.129 176 HB3 ARG 24 3HB ARG 24 4.279 -15.255 17.626 177 HG2 ARG 24 2HG ARG 24 2.124 -15.159 18.190 178 HG3 ARG 24 3HG ARG 24 2.060 -13.756 17.122 179 HD2 ARG 24 2HD ARG 24 1.483 -15.313 15.251 180 HD3 ARG 24 3HD ARG 24 1.362 -16.607 16.443 181 HE ARG 24 HE ARG 24 -0.581 -14.603 15.899 182 HH11 ARG 24 2HH1 ARG 24 0.772 -16.547 18.451 183 HH12 ARG 24 1HH1 ARG 24 -0.665 -16.510 19.418 184 HH21 ARG 24 2HH2 ARG 24 -2.479 -14.547 17.164 185 HH22 ARG 24 1HH2 ARG 24 -2.513 -15.373 18.685 186 H GLU 25 H GLU 25 2.076 -12.824 15.482 187 HA GLU 25 HA GLU 25 1.684 -13.861 12.837 188 HB2 GLU 25 2HB GLU 25 -0.390 -12.626 12.849 189 HB3 GLU 25 3HB GLU 25 -0.187 -13.416 14.406 190 HG2 GLU 25 2HG GLU 25 0.251 -11.422 15.506 191 HG3 GLU 25 3HG GLU 25 0.669 -10.580 14.016 192 H ALA 26 H ALA 26 3.104 -11.030 14.196 193 HA ALA 26 HA ALA 26 2.827 -9.291 11.976 194 HB1 ALA 26 1HB ALA 26 3.425 -8.032 13.746 195 HB2 ALA 26 2HB ALA 26 4.370 -9.326 14.484 196 HB3 ALA 26 3HB ALA 26 5.058 -8.370 13.172 197 H LEU 27 H LEU 27 5.154 -11.771 12.827 198 HA LEU 27 HA LEU 27 7.083 -11.065 10.850 199 HB2 LEU 27 2HB LEU 27 6.640 -13.318 12.717 200 HB3 LEU 27 3HB LEU 27 7.640 -13.641 11.303 201 HG LEU 27 HG LEU 27 8.169 -11.502 13.365 202 HD11 LEU 27 1HD1 LEU 27 8.552 -14.232 13.595 203 HD12 LEU 27 2HD1 LEU 27 9.348 -12.975 14.542 204 HD13 LEU 27 3HD1 LEU 27 10.128 -13.618 13.097 205 HD21 LEU 27 3HD2 LEU 27 9.700 -12.414 10.936 206 HD22 LEU 27 1HD2 LEU 27 10.390 -11.417 12.216 207 HD23 LEU 27 2HD2 LEU 27 9.041 -10.809 11.257 208 H LYS 28 H LYS 28 4.200 -13.008 10.884 209 HA LYS 28 HA LYS 28 4.565 -14.690 8.733 210 HB2 LYS 28 2HB LYS 28 2.445 -13.995 10.338 211 HB3 LYS 28 3HB LYS 28 1.926 -13.410 8.763 212 HG2 LYS 28 2HG LYS 28 3.040 -16.148 8.878 213 HG3 LYS 28 3HG LYS 28 1.455 -15.885 9.609 214 HD2 LYS 28 2HD LYS 28 0.453 -15.598 7.616 215 HD3 LYS 28 3HD LYS 28 1.795 -14.649 6.971 216 HE2 LYS 28 2HE LYS 28 1.859 -16.549 5.655 217 HE3 LYS 28 3HE LYS 28 3.039 -16.926 6.910 218 HZ1 LYS 28 3HZ LYS 28 0.901 -18.464 6.193 219 HZ2 LYS 28 1HZ LYS 28 0.396 -17.734 7.633 220 HZ3 LYS 28 2HZ LYS 28 1.825 -18.638 7.599 221 H HIS 29 H HIS 29 4.007 -11.244 8.751 222 HA HIS 29 HA HIS 29 3.314 -10.960 6.018 223 HB2 HIS 29 2HB HIS 29 3.169 -9.280 8.060 224 HB3 HIS 29 3HB HIS 29 4.749 -8.778 7.467 225 HD1 HIS 29 HD1 HIS 29 4.609 -8.389 4.642 226 HD2 HIS 29 HD2 HIS 29 1.224 -7.773 6.972 227 HE1 HIS 29 HE1 HIS 29 3.106 -6.914 3.267 228 H PHE 30 H PHE 30 6.388 -10.847 7.758 229 HA PHE 30 HA PHE 30 7.971 -10.059 5.550 230 HB2 PHE 30 2HB PHE 30 8.604 -9.965 8.013 231 HB3 PHE 30 3HB PHE 30 8.929 -11.692 7.900 232 HD1 PHE 30 HD1 PHE 30 9.979 -8.358 6.766 233 HD2 PHE 30 HD2 PHE 30 10.884 -12.517 6.817 234 HE1 PHE 30 HE1 PHE 30 12.247 -7.871 5.946 235 HE2 PHE 30 HE2 PHE 30 13.153 -12.036 5.997 236 HZ PHE 30 HZ PHE 30 13.838 -9.711 5.561 237 H LEU 31 H LEU 31 7.124 -13.219 6.896 238 HA LEU 31 HA LEU 31 8.772 -14.800 5.285 239 HB2 LEU 31 2HB LEU 31 6.227 -15.258 6.767 240 HB3 LEU 31 3HB LEU 31 6.803 -16.499 5.657 241 HG LEU 31 HG LEU 31 8.682 -15.467 7.724 242 HD11 LEU 31 1HD1 LEU 31 7.833 -16.959 9.400 243 HD12 LEU 31 2HD1 LEU 31 6.567 -17.531 8.314 244 HD13 LEU 31 3HD1 LEU 31 6.537 -15.869 8.905 245 HD21 LEU 31 3HD2 LEU 31 9.883 -17.159 6.943 246 HD22 LEU 31 1HD2 LEU 31 8.585 -17.573 5.823 247 HD23 LEU 31 2HD2 LEU 31 8.620 -18.290 7.435 248 H ASP 32 H ASP 32 5.722 -13.249 4.626 249 HA ASP 32 HA ASP 32 5.058 -14.729 2.294 250 HB2 ASP 32 2HB ASP 32 3.560 -13.187 3.744 251 HB3 ASP 32 3HB ASP 32 4.210 -11.882 2.755 252 H GLY 33 H GLY 33 7.047 -11.914 2.909 253 HA2 GLY 33 2HA GLY 33 7.285 -11.120 0.171 254 HA3 GLY 33 3HA GLY 33 8.293 -10.575 1.504 255 H GLY 34 H GLY 34 9.195 -13.165 2.325 256 HA2 GLY 34 2HA GLY 34 11.489 -13.431 0.760 257 HA3 GLY 34 3HA GLY 34 10.897 -14.641 1.889 258 H GLU 35 H GLU 35 8.351 -14.929 0.416 259 HA GLU 35 HA GLU 35 9.181 -17.002 -1.349 260 HB2 GLU 35 2HB GLU 35 6.439 -15.769 -1.035 261 HB3 GLU 35 3HB GLU 35 6.802 -17.311 -1.797 262 HG2 GLU 35 2HG GLU 35 7.922 -17.385 0.789 263 HG3 GLU 35 3HG GLU 35 6.290 -16.736 0.944 264 H MET 36 H MET 36 8.692 -13.653 -1.734 265 HA MET 36 HA MET 36 7.896 -13.601 -4.456 266 HB2 MET 36 2HB MET 36 9.356 -11.514 -2.825 267 HB3 MET 36 3HB MET 36 8.609 -11.237 -4.393 268 HG2 MET 36 2HG MET 36 7.104 -12.152 -1.957 269 HG3 MET 36 3HG MET 36 7.271 -10.466 -2.441 270 HE1 MET 36 3HE MET 36 4.141 -10.106 -3.237 271 HE2 MET 36 1HE MET 36 5.749 -9.380 -3.227 272 HE3 MET 36 2HE MET 36 4.907 -9.638 -4.756 273 H ILE 37 H ILE 37 11.052 -13.405 -2.851 274 HA ILE 37 HA ILE 37 12.477 -13.199 -5.345 275 HB ILE 37 HB ILE 37 13.214 -12.274 -3.052 276 HG12 ILE 37 2HG1 ILE 37 15.212 -13.840 -4.697 277 HG13 ILE 37 3HG1 ILE 37 14.570 -12.262 -5.140 278 HG21 ILE 37 1HG2 ILE 37 12.953 -14.710 -2.115 279 HG22 ILE 37 2HG2 ILE 37 14.603 -14.887 -2.709 280 HG23 ILE 37 3HG2 ILE 37 14.225 -13.646 -1.515 281 HD11 ILE 37 3HD1 ILE 37 16.612 -12.990 -3.158 282 HD12 ILE 37 1HD1 ILE 37 16.446 -11.539 -4.146 283 HD13 ILE 37 2HD1 ILE 37 15.488 -11.719 -2.676 284 H VAL 38 H VAL 38 11.431 -15.735 -3.226 285 HA VAL 38 HA VAL 38 13.248 -17.734 -4.161 286 HB VAL 38 HB VAL 38 10.597 -18.028 -2.740 287 HG11 VAL 38 1HG1 VAL 38 12.626 -20.000 -3.658 288 HG12 VAL 38 2HG1 VAL 38 11.815 -20.280 -2.116 289 HG13 VAL 38 3HG1 VAL 38 10.869 -20.132 -3.598 290 HG21 VAL 38 3HG2 VAL 38 11.714 -17.957 -0.742 291 HG22 VAL 38 1HG2 VAL 38 13.236 -18.500 -1.449 292 HG23 VAL 38 2HG2 VAL 38 12.699 -16.836 -1.683 293 H THR 39 H THR 39 9.784 -17.133 -4.750 294 HA THR 39 HA THR 39 9.278 -19.149 -6.559 295 HB THR 39 HB THR 39 7.573 -17.572 -5.623 296 HG1 THR 39 HG1 THR 39 7.421 -17.667 -8.457 297 HG21 THR 39 3HG2 THR 39 7.925 -15.715 -7.887 298 HG22 THR 39 1HG2 THR 39 9.127 -15.586 -6.604 299 HG23 THR 39 2HG2 THR 39 7.414 -15.398 -6.229 300 H ALA 40 H ALA 40 10.998 -16.153 -7.046 301 HA ALA 40 HA ALA 40 10.963 -16.237 -9.903 302 HB1 ALA 40 1HB ALA 40 11.680 -14.368 -7.984 303 HB2 ALA 40 2HB ALA 40 13.196 -14.772 -8.792 304 HB3 ALA 40 3HB ALA 40 11.822 -14.192 -9.733 305 H ALA 41 H ALA 41 13.159 -17.368 -7.395 306 HA ALA 41 HA ALA 41 15.249 -18.111 -9.203 307 HB1 ALA 41 1HB ALA 41 15.739 -19.575 -6.965 308 HB2 ALA 41 2HB ALA 41 16.247 -17.903 -7.205 309 HB3 ALA 41 3HB ALA 41 14.765 -18.255 -6.316 310 H GLU 42 H GLU 42 12.649 -19.848 -7.534 311 HA GLU 42 HA GLU 42 13.354 -22.440 -8.323 312 HB2 GLU 42 2HB GLU 42 10.582 -21.343 -7.819 313 HB3 GLU 42 3HB GLU 42 11.034 -23.042 -7.822 314 HG2 GLU 42 2HG GLU 42 12.768 -22.069 -5.994 315 HG3 GLU 42 3HG GLU 42 11.394 -20.992 -5.754 316 H LYS 43 H LYS 43 10.953 -20.239 -9.774 317 HA LYS 43 HA LYS 43 10.340 -21.861 -11.978 318 HB2 LYS 43 2HB LYS 43 9.728 -19.192 -11.072 319 HB3 LYS 43 3HB LYS 43 10.039 -19.188 -12.803 320 HG2 LYS 43 2HG LYS 43 8.108 -20.199 -13.260 321 HG3 LYS 43 3HG LYS 43 8.322 -21.383 -11.968 322 HD2 LYS 43 2HD LYS 43 7.155 -20.148 -10.461 323 HD3 LYS 43 3HD LYS 43 7.690 -18.611 -11.144 324 HE2 LYS 43 2HE LYS 43 6.020 -20.093 -12.990 325 HE3 LYS 43 3HE LYS 43 5.199 -19.797 -11.458 326 HZ1 LYS 43 3HZ LYS 43 4.805 -17.749 -12.159 327 HZ2 LYS 43 1HZ LYS 43 5.716 -17.991 -13.564 328 HZ3 LYS 43 2HZ LYS 43 6.467 -17.433 -12.155 329 H GLU 44 H GLU 44 13.021 -19.768 -11.343 330 HA GLU 44 HA GLU 44 13.852 -19.723 -14.133 331 HB2 GLU 44 2HB GLU 44 14.870 -18.430 -11.621 332 HB3 GLU 44 3HB GLU 44 15.864 -18.480 -13.069 333 HG2 GLU 44 2HG GLU 44 13.149 -17.213 -12.800 334 HG3 GLU 44 3HG GLU 44 14.696 -16.378 -12.936 335 H ALA 45 H ALA 45 16.451 -19.984 -14.229 336 HA ALA 45 HA ALA 45 17.585 -22.053 -12.657 337 HB1 ALA 45 1HB ALA 45 16.259 -22.822 -15.220 338 HB2 ALA 45 2HB ALA 45 17.716 -23.668 -14.697 339 HB3 ALA 45 3HB ALA 45 16.282 -23.663 -13.670 340 H SER 46 H SER 46 17.548 -20.346 -15.742 341 HA SER 46 HA SER 46 20.452 -20.619 -15.969 342 HB2 SER 46 2HB SER 46 18.780 -20.945 -17.926 343 HB3 SER 46 3HB SER 46 18.702 -19.183 -17.951 344 HG SER 46 HG SER 46 20.588 -19.143 -18.867 345 H GLN 47 H GLN 47 20.043 -19.160 -13.834 346 HA GLN 47 HA GLN 47 20.700 -16.436 -14.702 347 HB2 GLN 47 2HB GLN 47 18.266 -16.884 -13.725 348 HB3 GLN 47 3HB GLN 47 19.123 -16.754 -12.195 349 HG2 GLN 47 2HG GLN 47 18.242 -14.613 -12.731 350 HG3 GLN 47 3HG GLN 47 19.991 -14.548 -12.942 351 HE21 GLN 47 1HE2 GLN 47 16.957 -14.969 -14.691 352 HE22 GLN 47 2HE2 GLN 47 17.506 -14.271 -16.173 353 H LYS 48 H LYS 48 22.358 -15.501 -13.626 354 HA LYS 48 HA LYS 48 23.920 -17.166 -11.875 355 HB2 LYS 48 2HB LYS 48 24.381 -14.295 -12.703 356 HB3 LYS 48 3HB LYS 48 25.559 -15.362 -11.951 357 HG2 LYS 48 2HG LYS 48 24.783 -16.793 -14.154 358 HG3 LYS 48 3HG LYS 48 24.753 -15.128 -14.739 359 HD2 LYS 48 2HD LYS 48 26.945 -15.688 -15.145 360 HD3 LYS 48 3HD LYS 48 27.078 -14.993 -13.528 361 HE2 LYS 48 2HE LYS 48 26.922 -17.275 -12.582 362 HE3 LYS 48 3HE LYS 48 26.902 -17.924 -14.221 363 HZ1 LYS 48 3HZ LYS 48 29.108 -16.410 -12.937 364 HZ2 LYS 48 1HZ LYS 48 29.086 -16.854 -14.569 365 HZ3 LYS 48 2HZ LYS 48 29.114 -18.045 -13.368 366 H VAL 49 H VAL 49 21.789 -14.417 -11.554 367 HA VAL 49 HA VAL 49 22.549 -13.811 -8.851 368 HB VAL 49 HB VAL 49 20.668 -12.275 -8.838 369 HG11 VAL 49 1HG1 VAL 49 21.297 -10.866 -10.764 370 HG12 VAL 49 2HG1 VAL 49 22.699 -11.508 -9.905 371 HG13 VAL 49 3HG1 VAL 49 22.197 -12.225 -11.437 372 HG21 VAL 49 3HG2 VAL 49 19.758 -13.980 -11.041 373 HG22 VAL 49 1HG2 VAL 49 18.831 -13.002 -9.902 374 HG23 VAL 49 2HG2 VAL 49 19.553 -12.251 -11.325 375 H ARG 50 H ARG 50 20.119 -15.782 -10.422 376 HA ARG 50 HA ARG 50 18.236 -16.203 -8.515 377 HB2 ARG 50 2HB ARG 50 18.056 -17.335 -10.609 378 HB3 ARG 50 3HB ARG 50 19.557 -18.210 -10.337 379 HG2 ARG 50 2HG ARG 50 17.746 -18.770 -8.202 380 HG3 ARG 50 3HG ARG 50 16.936 -19.032 -9.747 381 HD2 ARG 50 2HD ARG 50 17.910 -21.065 -9.581 382 HD3 ARG 50 3HD ARG 50 19.288 -20.209 -10.270 383 HE ARG 50 HE ARG 50 19.652 -19.881 -7.620 384 HH11 ARG 50 2HH1 ARG 50 19.025 -22.680 -9.592 385 HH12 ARG 50 1HH1 ARG 50 19.888 -23.766 -8.555 386 HH21 ARG 50 2HH2 ARG 50 20.792 -21.300 -6.246 387 HH22 ARG 50 1HH2 ARG 50 20.892 -22.980 -6.651 388 H ASN 51 H ASN 51 21.463 -17.657 -8.613 389 HA ASN 51 HA ASN 51 21.211 -19.408 -6.463 390 HB2 ASN 51 2HB ASN 51 23.139 -19.312 -8.055 391 HB3 ASN 51 3HB ASN 51 23.700 -17.866 -7.220 392 HD21 ASN 51 1HD2 ASN 51 24.797 -18.060 -5.347 393 HD22 ASN 51 2HD2 ASN 51 25.192 -19.570 -4.604 394 H LEU 52 H LEU 52 22.340 -16.034 -6.481 395 HA LEU 52 HA LEU 52 22.662 -15.904 -3.653 396 HB2 LEU 52 2HB LEU 52 23.712 -14.447 -5.521 397 HB3 LEU 52 3HB LEU 52 22.227 -13.507 -5.391 398 HG LEU 52 HG LEU 52 22.737 -13.072 -3.020 399 HD11 LEU 52 1HD1 LEU 52 25.042 -13.579 -2.225 400 HD12 LEU 52 2HD1 LEU 52 25.254 -14.603 -3.644 401 HD13 LEU 52 3HD1 LEU 52 24.024 -15.002 -2.445 402 HD21 LEU 52 3HD2 LEU 52 25.227 -12.244 -4.371 403 HD22 LEU 52 1HD2 LEU 52 24.018 -11.281 -3.521 404 HD23 LEU 52 2HD2 LEU 52 23.719 -11.808 -5.178 405 H LEU 53 H LEU 53 20.027 -15.308 -5.853 406 HA LEU 53 HA LEU 53 18.378 -13.718 -4.268 407 HB2 LEU 53 2HB LEU 53 17.991 -15.587 -6.524 408 HB3 LEU 53 3HB LEU 53 16.560 -15.204 -5.569 409 HG LEU 53 HG LEU 53 16.516 -13.011 -6.263 410 HD11 LEU 53 1HD1 LEU 53 18.548 -12.100 -5.698 411 HD12 LEU 53 2HD1 LEU 53 18.627 -12.046 -7.458 412 HD13 LEU 53 3HD1 LEU 53 19.465 -13.323 -6.577 413 HD21 LEU 53 3HD2 LEU 53 17.902 -14.238 -8.633 414 HD22 LEU 53 1HD2 LEU 53 16.642 -13.004 -8.620 415 HD23 LEU 53 2HD2 LEU 53 16.256 -14.664 -8.162 416 H LEU 54 H LEU 54 18.732 -17.237 -4.373 417 HA LEU 54 HA LEU 54 16.691 -17.699 -2.412 418 HB2 LEU 54 2HB LEU 54 18.865 -19.519 -3.437 419 HB3 LEU 54 3HB LEU 54 17.494 -20.017 -2.448 420 HG LEU 54 HG LEU 54 16.842 -18.666 -4.995 421 HD11 LEU 54 1HD1 LEU 54 18.584 -20.996 -4.876 422 HD12 LEU 54 2HD1 LEU 54 18.184 -19.945 -6.234 423 HD13 LEU 54 3HD1 LEU 54 17.110 -21.276 -5.803 424 HD21 LEU 54 3HD2 LEU 54 15.085 -19.481 -3.560 425 HD22 LEU 54 1HD2 LEU 54 15.807 -21.090 -3.530 426 HD23 LEU 54 2HD2 LEU 54 15.132 -20.455 -5.031 427 H HIS 55 H HIS 55 20.239 -17.708 -2.405 428 HA HIS 55 HA HIS 55 20.641 -18.502 0.236 429 HB2 HIS 55 2HB HIS 55 22.358 -18.149 -1.661 430 HB3 HIS 55 3HB HIS 55 22.398 -16.472 -1.124 431 HD1 HIS 55 HD1 HIS 55 24.929 -18.150 -0.930 432 HD2 HIS 55 HD2 HIS 55 22.163 -17.810 2.151 433 HE1 HIS 55 HE1 HIS 55 26.195 -18.695 1.173 434 H LYS 56 H LYS 56 20.315 -15.226 -1.106 435 HA LYS 56 HA LYS 56 20.506 -13.938 1.431 436 HB2 LYS 56 2HB LYS 56 19.572 -13.003 -1.280 437 HB3 LYS 56 3HB LYS 56 19.592 -11.952 0.130 438 HG2 LYS 56 2HG LYS 56 22.023 -13.383 -0.913 439 HG3 LYS 56 3HG LYS 56 21.570 -11.742 -1.380 440 HD2 LYS 56 2HD LYS 56 21.708 -11.030 0.948 441 HD3 LYS 56 3HD LYS 56 22.118 -12.676 1.438 442 HE2 LYS 56 2HE LYS 56 24.246 -12.527 0.644 443 HE3 LYS 56 3HE LYS 56 23.800 -11.424 -0.657 444 HZ1 LYS 56 3HZ LYS 56 24.393 -10.815 2.163 445 HZ2 LYS 56 1HZ LYS 56 23.416 -9.769 1.260 446 HZ3 LYS 56 2HZ LYS 56 25.001 -10.086 0.763 447 H GLY 57 H GLY 57 17.839 -15.009 -0.616 448 HA2 GLY 57 2HA GLY 57 15.758 -13.768 0.840 449 HA3 GLY 57 3HA GLY 57 15.580 -15.150 -0.230 450 H LYS 58 H LYS 58 17.379 -16.872 1.209 451 HA LYS 58 HA LYS 58 15.539 -17.849 3.178 452 HB2 LYS 58 2HB LYS 58 16.523 -19.695 2.341 453 HB3 LYS 58 3HB LYS 58 17.953 -18.811 1.825 454 HG2 LYS 58 2HG LYS 58 17.550 -19.383 4.723 455 HG3 LYS 58 3HG LYS 58 18.132 -20.658 3.651 456 HD2 LYS 58 2HD LYS 58 19.566 -18.227 3.139 457 HD3 LYS 58 3HD LYS 58 19.625 -18.603 4.862 458 HE2 LYS 58 2HE LYS 58 20.201 -20.677 2.769 459 HE3 LYS 58 3HE LYS 58 21.453 -19.583 3.356 460 HZ1 LYS 58 3HZ LYS 58 20.684 -20.397 5.661 461 HZ2 LYS 58 1HZ LYS 58 21.677 -21.401 4.730 462 HZ3 LYS 58 2HZ LYS 58 20.014 -21.698 4.813 463 H GLU 59 H GLU 59 18.552 -16.075 3.208 464 HA GLU 59 HA GLU 59 19.139 -16.431 5.962 465 HB2 GLU 59 2HB GLU 59 20.087 -14.627 3.791 466 HB3 GLU 59 3HB GLU 59 20.417 -14.150 5.451 467 HG2 GLU 59 2HG GLU 59 21.060 -16.940 4.790 468 HG3 GLU 59 3HG GLU 59 22.030 -15.718 3.969 469 H VAL 60 H VAL 60 17.758 -13.661 4.190 470 HA VAL 60 HA VAL 60 17.230 -11.995 6.321 471 HB VAL 60 HB VAL 60 15.437 -10.998 4.962 472 HG11 VAL 60 1HG1 VAL 60 17.102 -9.950 3.935 473 HG12 VAL 60 2HG1 VAL 60 18.168 -11.328 4.221 474 HG13 VAL 60 3HG1 VAL 60 17.189 -11.258 2.755 475 HG21 VAL 60 3HG2 VAL 60 15.913 -13.328 3.105 476 HG22 VAL 60 1HG2 VAL 60 14.468 -13.058 4.079 477 HG23 VAL 60 2HG2 VAL 60 14.875 -11.941 2.777 478 H LEU 61 H LEU 61 15.490 -14.839 5.275 479 HA LEU 61 HA LEU 61 13.123 -14.395 6.767 480 HB2 LEU 61 2HB LEU 61 14.300 -16.538 5.190 481 HB3 LEU 61 3HB LEU 61 13.390 -17.135 6.576 482 HG LEU 61 HG LEU 61 11.469 -15.684 5.726 483 HD11 LEU 61 1HD1 LEU 61 11.587 -14.609 3.764 484 HD12 LEU 61 2HD1 LEU 61 12.521 -15.894 2.999 485 HD13 LEU 61 3HD1 LEU 61 13.331 -14.697 4.010 486 HD21 LEU 61 3HD2 LEU 61 12.506 -18.196 4.519 487 HD22 LEU 61 1HD2 LEU 61 11.107 -17.423 3.774 488 HD23 LEU 61 2HD2 LEU 61 11.045 -17.914 5.467 489 H GLU 62 H GLU 62 15.952 -16.468 7.409 490 HA GLU 62 HA GLU 62 15.114 -17.207 10.013 491 HB2 GLU 62 2HB GLU 62 17.402 -18.058 10.290 492 HB3 GLU 62 3HB GLU 62 16.705 -18.559 8.756 493 HG2 GLU 62 2HG GLU 62 17.991 -16.939 7.563 494 HG3 GLU 62 3HG GLU 62 18.561 -16.214 9.065 495 H TRP 63 H TRP 63 16.985 -14.542 8.746 496 HA TRP 63 HA TRP 63 18.001 -13.673 11.273 497 HB2 TRP 63 2HB TRP 63 19.108 -13.115 9.135 498 HB3 TRP 63 3HB TRP 63 17.717 -12.134 8.683 499 HD1 TRP 63 HD1 TRP 63 20.302 -12.234 11.586 500 HE1 TRP 63 HE1 TRP 63 20.836 -9.805 12.245 501 HE3 TRP 63 HE3 TRP 63 17.120 -9.811 8.402 502 HZ2 TRP 63 HZ2 TRP 63 20.017 -7.205 11.512 503 HZ3 TRP 63 HZ3 TRP 63 17.055 -7.352 8.444 504 HH2 TRP 63 HH2 TRP 63 18.474 -6.077 9.968 505 H ALA 64 H ALA 64 15.241 -12.792 9.251 506 HA ALA 64 HA ALA 64 14.354 -10.541 10.608 507 HB1 ALA 64 1HB ALA 64 13.224 -10.914 8.640 508 HB2 ALA 64 2HB ALA 64 12.989 -12.631 8.974 509 HB3 ALA 64 3HB ALA 64 12.023 -11.427 9.826 510 H GLU 65 H GLU 65 14.000 -13.936 11.413 511 HA GLU 65 HA GLU 65 12.082 -13.507 13.497 512 HB2 GLU 65 2HB GLU 65 13.816 -15.862 12.758 513 HB3 GLU 65 3HB GLU 65 12.706 -15.887 14.121 514 HG2 GLU 65 2HG GLU 65 11.125 -15.003 12.058 515 HG3 GLU 65 3HG GLU 65 12.183 -16.177 11.278 516 H HIS 66 H HIS 66 15.511 -13.344 13.242 517 HA HIS 66 HA HIS 66 16.169 -13.810 15.961 518 HB2 HIS 66 2HB HIS 66 17.567 -13.254 13.570 519 HB3 HIS 66 3HB HIS 66 18.021 -11.996 14.716 520 HD1 HIS 66 HD1 HIS 66 18.624 -13.162 17.233 521 HD2 HIS 66 HD2 HIS 66 19.195 -15.387 13.771 522 HE1 HIS 66 HE1 HIS 66 20.244 -14.979 17.861 523 H LEU 67 H LEU 67 15.816 -10.793 14.096 524 HA LEU 67 HA LEU 67 16.118 -9.107 16.366 525 HB2 LEU 67 2HB LEU 67 15.668 -7.317 14.928 526 HB3 LEU 67 3HB LEU 67 16.503 -8.509 13.934 527 HG LEU 67 HG LEU 67 13.957 -9.176 13.392 528 HD11 LEU 67 1HD1 LEU 67 13.804 -6.188 13.588 529 HD12 LEU 67 2HD1 LEU 67 13.253 -7.231 14.899 530 HD13 LEU 67 3HD1 LEU 67 12.507 -7.349 13.305 531 HD21 LEU 67 3HD2 LEU 67 14.280 -7.370 11.476 532 HD22 LEU 67 1HD2 LEU 67 15.246 -8.844 11.546 533 HD23 LEU 67 2HD2 LEU 67 15.913 -7.325 12.144 534 H ALA 68 H ALA 68 13.386 -10.610 14.778 535 HA ALA 68 HA ALA 68 11.331 -9.084 15.955 536 HB1 ALA 68 1HB ALA 68 11.376 -11.883 14.852 537 HB2 ALA 68 2HB ALA 68 9.908 -11.102 15.441 538 HB3 ALA 68 3HB ALA 68 10.785 -10.414 14.074 539 H GLU 69 H GLU 69 13.125 -11.899 17.057 540 HA GLU 69 HA GLU 69 11.444 -12.304 19.363 541 HB2 GLU 69 2HB GLU 69 14.025 -13.528 18.417 542 HB3 GLU 69 3HB GLU 69 13.365 -13.890 20.006 543 HG2 GLU 69 2HG GLU 69 11.452 -14.171 17.810 544 HG3 GLU 69 3HG GLU 69 12.824 -15.275 17.737 545 H TRP 70 H TRP 70 14.191 -10.406 18.568 546 HA TRP 70 HA TRP 70 15.611 -10.123 20.873 547 HB2 TRP 70 2HB TRP 70 15.659 -8.822 18.549 548 HB3 TRP 70 3HB TRP 70 14.826 -7.596 19.502 549 HD1 TRP 70 HD1 TRP 70 16.252 -6.198 21.194 550 HE1 TRP 70 HE1 TRP 70 18.767 -6.074 21.725 551 HE3 TRP 70 HE3 TRP 70 17.820 -10.361 18.675 552 HZ2 TRP 70 HZ2 TRP 70 21.107 -7.545 21.151 553 HZ3 TRP 70 HZ3 TRP 70 20.213 -10.933 18.716 554 HH2 TRP 70 HH2 TRP 70 21.821 -9.552 19.928 555 H ILE 71 H ILE 71 12.422 -8.809 20.179 556 HA ILE 71 HA ILE 71 12.092 -7.012 22.235 557 HB ILE 71 HB ILE 71 9.669 -7.611 22.194 558 HG12 ILE 71 2HG1 ILE 71 10.686 -9.767 20.343 559 HG13 ILE 71 3HG1 ILE 71 9.730 -9.967 21.807 560 HG21 ILE 71 1HG2 ILE 71 10.979 -6.134 20.492 561 HG22 ILE 71 2HG2 ILE 71 10.609 -7.439 19.366 562 HG23 ILE 71 3HG2 ILE 71 9.301 -6.570 20.170 563 HD11 ILE 71 3HD1 ILE 71 8.892 -9.224 19.075 564 HD12 ILE 71 1HD1 ILE 71 8.088 -10.231 20.280 565 HD13 ILE 71 2HD1 ILE 71 8.029 -8.473 20.417 566 H LEU 72 H LEU 72 11.668 -10.531 22.338 567 HA LEU 72 HA LEU 72 10.877 -10.579 25.081 568 HB2 LEU 72 2HB LEU 72 12.006 -12.838 23.440 569 HB3 LEU 72 3HB LEU 72 11.044 -12.969 24.912 570 HG LEU 72 HG LEU 72 9.539 -11.522 22.971 571 HD11 LEU 72 1HD1 LEU 72 10.140 -14.237 21.913 572 HD12 LEU 72 2HD1 LEU 72 11.234 -12.911 21.518 573 HD13 LEU 72 3HD1 LEU 72 9.529 -12.807 21.081 574 HD21 LEU 72 3HD2 LEU 72 8.772 -12.922 24.917 575 HD22 LEU 72 1HD2 LEU 72 9.134 -14.344 23.938 576 HD23 LEU 72 2HD2 LEU 72 7.910 -13.193 23.401 577 H GLU 73 H GLU 73 13.915 -11.150 23.357 578 HA GLU 73 HA GLU 73 15.488 -12.077 25.431 579 HB2 GLU 73 2HB GLU 73 16.135 -11.839 23.001 580 HB3 GLU 73 3HB GLU 73 16.431 -10.136 23.321 581 HG2 GLU 73 2HG GLU 73 18.325 -10.539 24.508 582 HG3 GLU 73 3HG GLU 73 17.769 -12.113 25.074 583 H HIS 74 H HIS 74 14.379 -8.831 24.772 584 HA HIS 74 HA HIS 74 14.488 -6.894 25.959 585 HB2 HIS 74 2HB HIS 74 13.813 -8.679 27.770 586 HB3 HIS 74 3HB HIS 74 15.434 -8.370 28.386 587 HD1 HIS 74 HD1 HIS 74 12.416 -6.275 27.371 588 HD2 HIS 74 HD2 HIS 74 15.464 -6.370 30.193 589 HE1 HIS 74 HE1 HIS 74 11.984 -4.320 28.894 Start of MODEL 12 1 H1 MET 1 H MET 1 4.918 -2.437 -5.363 2 HA MET 1 HA MET 1 2.908 -1.574 -3.400 3 HB2 MET 1 2HB MET 1 2.602 -0.726 -5.851 4 HB3 MET 1 3HB MET 1 2.082 -2.376 -6.168 5 HG2 MET 1 2HG MET 1 0.172 -2.164 -4.934 6 HG3 MET 1 3HG MET 1 0.854 -0.917 -3.892 7 HE1 MET 1 3HE MET 1 -1.302 -0.071 -3.900 8 HE2 MET 1 1HE MET 1 -1.116 1.578 -4.498 9 HE3 MET 1 2HE MET 1 -2.265 0.485 -5.271 10 H GLY 2 H GLY 2 4.176 -3.599 -2.547 11 HA2 GLY 2 2HA GLY 2 3.217 -5.656 -1.683 12 HA3 GLY 2 3HA GLY 2 2.548 -5.948 -3.282 13 H THR 3 H THR 3 5.687 -5.493 -1.665 14 HA THR 3 HA THR 3 6.710 -7.810 -3.124 15 HB THR 3 HB THR 3 8.787 -6.659 -3.740 16 HG1 THR 3 HG1 THR 3 9.149 -4.608 -3.197 17 HG21 THR 3 3HG2 THR 3 6.829 -6.746 -5.304 18 HG22 THR 3 1HG2 THR 3 7.943 -5.413 -5.603 19 HG23 THR 3 2HG2 THR 3 6.412 -5.115 -4.779 20 H ILE 4 H ILE 4 9.084 -8.219 -2.329 21 HA ILE 4 HA ILE 4 8.992 -8.900 0.357 22 HB ILE 4 HB ILE 4 10.723 -9.429 -1.672 23 HG12 ILE 4 2HG1 ILE 4 10.285 -10.910 0.197 24 HG13 ILE 4 3HG1 ILE 4 12.025 -10.698 0.027 25 HG21 ILE 4 1HG2 ILE 4 12.902 -8.613 -1.163 26 HG22 ILE 4 2HG2 ILE 4 11.826 -7.219 -1.250 27 HG23 ILE 4 3HG2 ILE 4 12.333 -7.845 0.319 28 HD11 ILE 4 3HD1 ILE 4 10.244 -9.358 2.047 29 HD12 ILE 4 1HD1 ILE 4 11.409 -10.646 2.351 30 HD13 ILE 4 2HD1 ILE 4 11.969 -9.049 1.852 31 H ASP 5 H ASP 5 9.885 -5.903 -1.139 32 HA ASP 5 HA ASP 5 11.422 -4.766 0.914 33 HB2 ASP 5 2HB ASP 5 11.149 -3.856 -1.414 34 HB3 ASP 5 3HB ASP 5 9.551 -3.286 -0.942 35 H ASP 6 H ASP 6 7.928 -4.807 0.366 36 HA ASP 6 HA ASP 6 7.141 -3.056 2.378 37 HB2 ASP 6 2HB ASP 6 5.699 -4.142 0.578 38 HB3 ASP 6 3HB ASP 6 5.613 -5.549 1.635 39 H ALA 7 H ALA 7 8.325 -6.306 2.577 40 HA ALA 7 HA ALA 7 7.332 -6.927 5.166 41 HB1 ALA 7 1HB ALA 7 8.412 -8.425 3.260 42 HB2 ALA 7 2HB ALA 7 9.863 -8.155 4.226 43 HB3 ALA 7 3HB ALA 7 8.442 -8.901 4.958 44 H PHE 8 H PHE 8 10.549 -5.878 4.041 45 HA PHE 8 HA PHE 8 11.844 -5.734 6.468 46 HB2 PHE 8 2HB PHE 8 12.178 -3.743 4.217 47 HB3 PHE 8 3HB PHE 8 13.372 -4.170 5.438 48 HD1 PHE 8 HD1 PHE 8 13.112 -7.114 5.456 49 HD2 PHE 8 HD2 PHE 8 13.190 -4.353 2.218 50 HE1 PHE 8 HE1 PHE 8 13.993 -8.875 3.980 51 HE2 PHE 8 HE2 PHE 8 14.070 -6.109 0.737 52 HZ PHE 8 HZ PHE 8 14.472 -8.374 1.617 53 H ARG 9 H ARG 9 9.514 -3.520 5.089 54 HA ARG 9 HA ARG 9 9.964 -1.364 6.873 55 HB2 ARG 9 2HB ARG 9 7.609 -2.142 5.158 56 HB3 ARG 9 3HB ARG 9 7.611 -0.696 6.158 57 HG2 ARG 9 2HG ARG 9 9.536 0.162 4.944 58 HG3 ARG 9 3HG ARG 9 9.577 -1.302 3.960 59 HD2 ARG 9 2HD ARG 9 8.385 0.029 2.554 60 HD3 ARG 9 3HD ARG 9 7.053 -0.610 3.516 61 HE ARG 9 HE ARG 9 6.683 1.496 4.311 62 HH11 ARG 9 2HH1 ARG 9 9.905 1.344 3.004 63 HH12 ARG 9 1HH1 ARG 9 10.203 3.040 3.195 64 HH21 ARG 9 2HH2 ARG 9 7.062 3.730 4.569 65 HH22 ARG 9 1HH2 ARG 9 8.586 4.396 4.086 66 H ALA 10 H ALA 10 7.745 -4.120 6.914 67 HA ALA 10 HA ALA 10 6.340 -3.347 9.249 68 HB1 ALA 10 1HB ALA 10 6.555 -6.230 8.704 69 HB2 ALA 10 2HB ALA 10 5.128 -5.215 8.922 70 HB3 ALA 10 3HB ALA 10 5.957 -5.248 7.366 71 H ILE 11 H ILE 11 9.362 -4.976 8.707 72 HA ILE 11 HA ILE 11 9.741 -6.378 11.048 73 HB ILE 11 HB ILE 11 11.779 -4.764 9.512 74 HG12 ILE 11 2HG1 ILE 11 10.632 -6.538 8.222 75 HG13 ILE 11 3HG1 ILE 11 12.341 -6.887 8.457 76 HG21 ILE 11 1HG2 ILE 11 13.418 -6.336 10.587 77 HG22 ILE 11 2HG2 ILE 11 12.690 -5.152 11.671 78 HG23 ILE 11 3HG2 ILE 11 12.124 -6.821 11.681 79 HD11 ILE 11 3HD1 ILE 11 11.793 -8.860 9.277 80 HD12 ILE 11 1HD1 ILE 11 10.957 -8.063 10.609 81 HD13 ILE 11 2HD1 ILE 11 10.080 -8.469 9.134 82 H GLU 12 H GLU 12 10.390 -2.932 10.458 83 HA GLU 12 HA GLU 12 11.481 -2.238 12.894 84 HB2 GLU 12 2HB GLU 12 10.969 -0.830 10.732 85 HB3 GLU 12 3HB GLU 12 9.504 -0.400 11.605 86 HG2 GLU 12 2HG GLU 12 11.163 0.168 13.535 87 HG3 GLU 12 3HG GLU 12 12.342 0.256 12.228 88 H ARG 13 H ARG 13 8.118 -2.778 12.051 89 HA ARG 13 HA ARG 13 7.071 -1.780 14.523 90 HB2 ARG 13 2HB ARG 13 6.015 -2.555 12.038 91 HB3 ARG 13 3HB ARG 13 5.322 -3.666 13.212 92 HG2 ARG 13 2HG ARG 13 3.780 -1.978 13.242 93 HG3 ARG 13 3HG ARG 13 4.844 -1.478 14.559 94 HD2 ARG 13 2HD ARG 13 5.751 0.251 13.352 95 HD3 ARG 13 3HD ARG 13 5.437 -0.526 11.801 96 HE ARG 13 HE ARG 13 3.413 0.526 11.739 97 HH11 ARG 13 2HH1 ARG 13 4.583 0.541 15.017 98 HH12 ARG 13 1HH1 ARG 13 3.306 1.553 15.606 99 HH21 ARG 13 2HH2 ARG 13 1.727 1.859 12.502 100 HH22 ARG 13 1HH2 ARG 13 1.681 2.301 14.175 101 H ALA 14 H ALA 14 8.011 -4.928 13.272 102 HA ALA 14 HA ALA 14 6.890 -6.567 15.229 103 HB1 ALA 14 1HB ALA 14 9.573 -7.244 14.134 104 HB2 ALA 14 2HB ALA 14 8.148 -8.262 14.348 105 HB3 ALA 14 3HB ALA 14 8.213 -7.105 13.019 106 H ILE 15 H ILE 15 10.142 -5.114 15.124 107 HA ILE 15 HA ILE 15 10.962 -6.092 17.643 108 HB ILE 15 HB ILE 15 12.556 -5.288 15.955 109 HG12 ILE 15 2HG1 ILE 15 13.407 -3.401 17.904 110 HG13 ILE 15 3HG1 ILE 15 12.576 -4.699 18.753 111 HG21 ILE 15 1HG2 ILE 15 11.497 -2.548 16.637 112 HG22 ILE 15 2HG2 ILE 15 12.883 -2.890 15.604 113 HG23 ILE 15 3HG2 ILE 15 11.268 -3.398 15.109 114 HD11 ILE 15 3HD1 ILE 15 14.386 -5.949 18.591 115 HD12 ILE 15 1HD1 ILE 15 14.284 -5.880 16.832 116 HD13 ILE 15 2HD1 ILE 15 15.206 -4.660 17.711 117 H GLN 16 H GLN 16 9.219 -3.220 16.652 118 HA GLN 16 HA GLN 16 9.481 -1.653 18.932 119 HB2 GLN 16 2HB GLN 16 7.557 -1.853 16.707 120 HB3 GLN 16 3HB GLN 16 6.928 -1.107 18.170 121 HG2 GLN 16 2HG GLN 16 9.564 -0.150 17.284 122 HG3 GLN 16 3HG GLN 16 8.209 0.231 16.222 123 HE21 GLN 16 1HE2 GLN 16 9.595 0.682 19.382 124 HE22 GLN 16 2HE2 GLN 16 8.611 2.025 19.843 125 H ALA 17 H ALA 17 7.721 -4.578 18.445 126 HA ALA 17 HA ALA 17 5.693 -4.458 20.297 127 HB1 ALA 17 1HB ALA 17 7.331 -6.944 20.147 128 HB2 ALA 17 2HB ALA 17 5.578 -6.748 20.170 129 HB3 ALA 17 3HB ALA 17 6.487 -6.378 18.705 130 H GLU 18 H GLU 18 9.096 -5.302 20.877 131 HA GLU 18 HA GLU 18 10.354 -5.351 22.772 132 HB2 GLU 18 2HB GLU 18 8.306 -3.270 23.360 133 HB3 GLU 18 3HB GLU 18 9.297 -3.843 24.694 134 HG2 GLU 18 2HG GLU 18 11.308 -3.195 23.541 135 HG3 GLU 18 3HG GLU 18 10.381 -2.742 22.112 136 H ASN 19 H ASN 19 7.944 -7.156 22.389 137 HA ASN 19 HA ASN 19 8.239 -8.658 24.754 138 HB2 ASN 19 2HB ASN 19 6.868 -7.049 25.861 139 HB3 ASN 19 3HB ASN 19 5.723 -7.005 24.523 140 HD21 ASN 19 1HD2 ASN 19 3.921 -7.619 25.580 141 HD22 ASN 19 2HD2 ASN 19 3.715 -9.157 26.340 142 H GLU 20 H GLU 20 5.229 -8.144 22.956 143 HA GLU 20 HA GLU 20 5.557 -10.069 20.982 144 HB2 GLU 20 2HB GLU 20 4.077 -11.884 22.028 145 HB3 GLU 20 3HB GLU 20 5.758 -11.812 22.537 146 HG2 GLU 20 2HG GLU 20 5.220 -11.365 24.652 147 HG3 GLU 20 3HG GLU 20 3.980 -10.201 24.191 148 H GLY 21 H GLY 21 4.371 -8.515 19.860 149 HA2 GLY 21 2HA GLY 21 1.475 -8.639 20.367 150 HA3 GLY 21 3HA GLY 21 2.249 -7.073 20.174 151 H ARG 22 H ARG 22 3.024 -6.448 18.135 152 HA ARG 22 HA ARG 22 1.560 -7.609 15.941 153 HB2 ARG 22 2HB ARG 22 2.506 -5.766 14.622 154 HB3 ARG 22 3HB ARG 22 1.778 -5.185 16.113 155 HG2 ARG 22 2HG ARG 22 4.207 -5.365 17.041 156 HG3 ARG 22 3HG ARG 22 4.651 -5.317 15.334 157 HD2 ARG 22 2HD ARG 22 4.669 -3.083 16.327 158 HD3 ARG 22 3HD ARG 22 3.446 -3.219 15.065 159 HE ARG 22 HE ARG 22 1.811 -2.908 16.649 160 HH11 ARG 22 2HH1 ARG 22 4.860 -3.511 18.216 161 HH12 ARG 22 1HH1 ARG 22 4.278 -3.099 19.795 162 HH21 ARG 22 2HH2 ARG 22 1.033 -2.362 18.723 163 HH22 ARG 22 1HH2 ARG 22 2.101 -2.446 20.082 164 H TYR 23 H TYR 23 4.699 -7.918 17.276 165 HA TYR 23 HA TYR 23 6.334 -8.480 15.149 166 HB2 TYR 23 2HB TYR 23 7.750 -9.543 16.647 167 HB3 TYR 23 3HB TYR 23 6.774 -8.552 17.726 168 HD1 TYR 23 HD1 TYR 23 4.487 -9.840 18.458 169 HD2 TYR 23 HD2 TYR 23 8.161 -11.687 17.366 170 HE1 TYR 23 HE1 TYR 23 3.850 -11.846 19.731 171 HE2 TYR 23 HE2 TYR 23 7.534 -13.699 18.634 172 HH TYR 23 HH TYR 23 4.345 -14.054 20.057 173 H ARG 24 H ARG 24 3.704 -10.382 16.402 174 HA ARG 24 HA ARG 24 4.391 -12.835 15.141 175 HB2 ARG 24 2HB ARG 24 2.869 -12.898 16.983 176 HB3 ARG 24 3HB ARG 24 1.784 -11.753 16.205 177 HG2 ARG 24 2HG ARG 24 2.173 -14.056 14.532 178 HG3 ARG 24 3HG ARG 24 1.647 -14.538 16.146 179 HD2 ARG 24 2HD ARG 24 -0.408 -13.694 15.853 180 HD3 ARG 24 3HD ARG 24 0.204 -12.235 15.074 181 HE ARG 24 HE ARG 24 0.533 -14.099 13.162 182 HH11 ARG 24 2HH1 ARG 24 -2.180 -13.237 15.166 183 HH12 ARG 24 1HH1 ARG 24 -3.364 -13.692 13.986 184 HH21 ARG 24 2HH2 ARG 24 -1.016 -14.701 11.599 185 HH22 ARG 24 1HH2 ARG 24 -2.701 -14.525 11.958 186 H GLU 25 H GLU 25 2.189 -10.188 14.260 187 HA GLU 25 HA GLU 25 1.453 -11.392 11.767 188 HB2 GLU 25 2HB GLU 25 0.251 -9.332 11.336 189 HB3 GLU 25 3HB GLU 25 -0.043 -9.853 12.989 190 HG2 GLU 25 2HG GLU 25 1.311 -8.168 13.884 191 HG3 GLU 25 3HG GLU 25 2.072 -7.836 12.329 192 H ALA 26 H ALA 26 3.967 -9.274 12.855 193 HA ALA 26 HA ALA 26 4.653 -8.111 10.367 194 HB1 ALA 26 1HB ALA 26 5.845 -8.285 13.048 195 HB2 ALA 26 2HB ALA 26 6.994 -8.078 11.725 196 HB3 ALA 26 3HB ALA 26 5.694 -6.908 11.955 197 H LEU 27 H LEU 27 5.997 -10.897 12.131 198 HA LEU 27 HA LEU 27 7.885 -11.592 10.147 199 HB2 LEU 27 2HB LEU 27 6.669 -13.006 12.482 200 HB3 LEU 27 3HB LEU 27 7.672 -13.899 11.340 201 HG LEU 27 HG LEU 27 8.551 -11.520 12.976 202 HD11 LEU 27 1HD1 LEU 27 9.508 -12.942 14.469 203 HD12 LEU 27 2HD1 LEU 27 9.720 -14.228 13.282 204 HD13 LEU 27 3HD1 LEU 27 8.131 -13.934 13.988 205 HD21 LEU 27 3HD2 LEU 27 10.810 -12.174 12.148 206 HD22 LEU 27 1HD2 LEU 27 9.738 -11.541 10.898 207 HD23 LEU 27 2HD2 LEU 27 10.023 -13.278 11.019 208 H LYS 28 H LYS 28 4.532 -12.484 10.685 209 HA LYS 28 HA LYS 28 4.316 -14.657 8.965 210 HB2 LYS 28 2HB LYS 28 2.581 -13.277 10.541 211 HB3 LYS 28 3HB LYS 28 2.038 -12.783 8.943 212 HG2 LYS 28 2HG LYS 28 0.928 -14.682 8.736 213 HG3 LYS 28 3HG LYS 28 2.437 -15.585 8.883 214 HD2 LYS 28 2HD LYS 28 1.285 -14.562 11.402 215 HD3 LYS 28 3HD LYS 28 0.371 -15.837 10.593 216 HE2 LYS 28 2HE LYS 28 2.256 -17.307 10.633 217 HE3 LYS 28 3HE LYS 28 3.316 -16.017 11.200 218 HZ1 LYS 28 3HZ LYS 28 1.261 -17.512 12.682 219 HZ2 LYS 28 1HZ LYS 28 1.674 -15.948 13.178 220 HZ3 LYS 28 2HZ LYS 28 2.855 -17.158 13.125 221 H HIS 29 H HIS 29 4.104 -11.194 8.274 222 HA HIS 29 HA HIS 29 3.460 -11.528 5.517 223 HB2 HIS 29 2HB HIS 29 3.670 -9.371 7.341 224 HB3 HIS 29 3HB HIS 29 4.757 -9.016 6.002 225 HD1 HIS 29 HD1 HIS 29 1.353 -8.604 6.991 226 HD2 HIS 29 HD2 HIS 29 3.290 -9.348 3.391 227 HE1 HIS 29 HE1 HIS 29 -0.290 -7.963 5.198 228 H PHE 30 H PHE 30 6.400 -11.498 7.344 229 HA PHE 30 HA PHE 30 8.175 -10.873 5.217 230 HB2 PHE 30 2HB PHE 30 8.461 -11.076 7.905 231 HB3 PHE 30 3HB PHE 30 9.178 -12.602 7.396 232 HD1 PHE 30 HD2 PHE 30 9.373 -8.933 6.977 233 HD2 PHE 30 HD1 PHE 30 11.328 -12.679 6.461 234 HE1 PHE 30 HE2 PHE 30 11.468 -7.761 6.437 235 HE2 PHE 30 HE1 PHE 30 13.427 -11.513 5.921 236 HZ PHE 30 HZ PHE 30 13.498 -9.051 5.908 237 H LEU 31 H LEU 31 7.103 -13.934 6.660 238 HA LEU 31 HA LEU 31 8.665 -15.634 5.060 239 HB2 LEU 31 2HB LEU 31 6.162 -15.964 6.652 240 HB3 LEU 31 3HB LEU 31 6.694 -17.269 5.593 241 HG LEU 31 HG LEU 31 8.535 -16.115 7.660 242 HD11 LEU 31 1HD1 LEU 31 7.790 -17.721 9.264 243 HD12 LEU 31 2HD1 LEU 31 6.639 -18.409 8.120 244 HD13 LEU 31 3HD1 LEU 31 6.392 -16.779 8.745 245 HD21 LEU 31 3HD2 LEU 31 8.760 -18.914 7.269 246 HD22 LEU 31 1HD2 LEU 31 9.913 -17.648 6.846 247 HD23 LEU 31 2HD2 LEU 31 8.687 -18.148 5.681 248 H ASP 32 H ASP 32 5.427 -14.299 4.601 249 HA ASP 32 HA ASP 32 4.881 -15.753 2.212 250 HB2 ASP 32 2HB ASP 32 3.136 -14.749 3.708 251 HB3 ASP 32 3HB ASP 32 3.623 -13.160 3.125 252 H GLY 33 H GLY 33 6.444 -12.716 2.940 253 HA2 GLY 33 2HA GLY 33 6.406 -11.771 0.218 254 HA3 GLY 33 3HA GLY 33 7.285 -11.055 1.561 255 H GLY 34 H GLY 34 8.706 -13.453 2.293 256 HA2 GLY 34 2HA GLY 34 11.004 -13.165 0.734 257 HA3 GLY 34 3HA GLY 34 10.681 -14.516 1.810 258 H GLU 35 H GLU 35 8.466 -15.640 0.565 259 HA GLU 35 HA GLU 35 9.591 -17.344 -1.286 260 HB2 GLU 35 2HB GLU 35 6.693 -16.527 -1.028 261 HB3 GLU 35 3HB GLU 35 7.263 -17.916 -1.942 262 HG2 GLU 35 2HG GLU 35 8.226 -17.882 0.804 263 HG3 GLU 35 3HG GLU 35 6.468 -17.926 0.679 264 H MET 36 H MET 36 8.274 -14.166 -1.762 265 HA MET 36 HA MET 36 7.736 -14.194 -4.489 266 HB2 MET 36 2HB MET 36 8.899 -11.917 -2.875 267 HB3 MET 36 3HB MET 36 8.086 -11.769 -4.427 268 HG2 MET 36 2HG MET 36 6.721 -12.945 -2.032 269 HG3 MET 36 3HG MET 36 6.758 -11.209 -2.331 270 HE1 MET 36 3HE MET 36 5.924 -10.782 -5.622 271 HE2 MET 36 1HE MET 36 4.365 -10.428 -4.876 272 HE3 MET 36 2HE MET 36 5.858 -10.018 -4.033 273 H ILE 37 H ILE 37 10.776 -14.133 -2.799 274 HA ILE 37 HA ILE 37 12.326 -13.367 -5.103 275 HB ILE 37 HB ILE 37 12.941 -12.999 -2.625 276 HG12 ILE 37 2HG1 ILE 37 15.095 -14.197 -4.370 277 HG13 ILE 37 3HG1 ILE 37 14.388 -12.615 -4.678 278 HG21 ILE 37 1HG2 ILE 37 14.377 -15.588 -2.772 279 HG22 ILE 37 2HG2 ILE 37 13.793 -14.693 -1.370 280 HG23 ILE 37 3HG2 ILE 37 12.665 -15.626 -2.353 281 HD11 ILE 37 3HD1 ILE 37 15.334 -12.990 -1.939 282 HD12 ILE 37 1HD1 ILE 37 16.595 -13.077 -3.169 283 HD13 ILE 37 2HD1 ILE 37 15.572 -11.645 -3.054 284 H VAL 38 H VAL 38 11.154 -16.309 -3.713 285 HA VAL 38 HA VAL 38 13.031 -18.088 -4.887 286 HB VAL 38 HB VAL 38 10.192 -18.638 -4.011 287 HG11 VAL 38 1HG1 VAL 38 11.785 -20.914 -3.702 288 HG12 VAL 38 2HG1 VAL 38 10.501 -20.659 -4.884 289 HG13 VAL 38 3HG1 VAL 38 12.173 -20.280 -5.301 290 HG21 VAL 38 3HG2 VAL 38 11.364 -19.568 -1.975 291 HG22 VAL 38 1HG2 VAL 38 12.817 -18.745 -2.544 292 HG23 VAL 38 2HG2 VAL 38 11.378 -17.812 -2.133 293 H THR 39 H THR 39 9.887 -16.837 -5.902 294 HA THR 39 HA THR 39 9.357 -18.426 -8.086 295 HB THR 39 HB THR 39 7.920 -16.544 -7.158 296 HG1 THR 39 HG1 THR 39 8.272 -16.714 -9.985 297 HG21 THR 39 3HG2 THR 39 9.969 -14.916 -7.675 298 HG22 THR 39 1HG2 THR 39 8.297 -14.357 -7.683 299 HG23 THR 39 2HG2 THR 39 9.103 -14.746 -9.202 300 H ALA 40 H ALA 40 11.735 -15.896 -7.757 301 HA ALA 40 HA ALA 40 12.277 -15.644 -10.560 302 HB1 ALA 40 1HB ALA 40 14.437 -14.544 -9.560 303 HB2 ALA 40 2HB ALA 40 12.876 -13.730 -9.447 304 HB3 ALA 40 3HB ALA 40 13.517 -14.607 -8.057 305 H ALA 41 H ALA 41 13.691 -17.435 -7.867 306 HA ALA 41 HA ALA 41 15.897 -18.445 -9.385 307 HB1 ALA 41 1HB ALA 41 14.957 -18.593 -6.652 308 HB2 ALA 41 2HB ALA 41 15.547 -20.153 -7.229 309 HB3 ALA 41 3HB ALA 41 16.594 -18.736 -7.292 310 H GLU 42 H GLU 42 12.676 -19.596 -8.566 311 HA GLU 42 HA GLU 42 13.026 -22.259 -9.463 312 HB2 GLU 42 2HB GLU 42 10.509 -20.600 -9.223 313 HB3 GLU 42 3HB GLU 42 10.547 -22.337 -9.494 314 HG2 GLU 42 2HG GLU 42 12.053 -22.227 -7.297 315 HG3 GLU 42 3HG GLU 42 11.072 -20.786 -7.037 316 H LYS 43 H LYS 43 11.483 -19.445 -11.012 317 HA LYS 43 HA LYS 43 10.951 -20.696 -13.468 318 HB2 LYS 43 2HB LYS 43 10.875 -17.992 -12.385 319 HB3 LYS 43 3HB LYS 43 11.347 -18.016 -14.079 320 HG2 LYS 43 2HG LYS 43 9.187 -18.107 -14.568 321 HG3 LYS 43 3HG LYS 43 9.196 -19.760 -13.948 322 HD2 LYS 43 2HD LYS 43 8.847 -18.650 -11.641 323 HD3 LYS 43 3HD LYS 43 8.365 -17.229 -12.572 324 HE2 LYS 43 2HE LYS 43 6.720 -18.695 -13.771 325 HE3 LYS 43 3HE LYS 43 7.114 -19.970 -12.620 326 HZ1 LYS 43 3HZ LYS 43 6.072 -18.891 -10.924 327 HZ2 LYS 43 1HZ LYS 43 5.120 -18.347 -12.212 328 HZ3 LYS 43 2HZ LYS 43 6.328 -17.350 -11.573 329 H GLU 44 H GLU 44 13.871 -19.490 -12.119 330 HA GLU 44 HA GLU 44 15.199 -19.476 -14.733 331 HB2 GLU 44 2HB GLU 44 16.086 -18.505 -12.015 332 HB3 GLU 44 3HB GLU 44 17.140 -18.541 -13.422 333 HG2 GLU 44 2HG GLU 44 14.578 -16.981 -13.179 334 HG3 GLU 44 3HG GLU 44 16.209 -16.324 -13.055 335 H ALA 45 H ALA 45 17.694 -20.203 -14.283 336 HA ALA 45 HA ALA 45 18.154 -22.406 -12.608 337 HB1 ALA 45 1HB ALA 45 18.233 -24.112 -14.578 338 HB2 ALA 45 2HB ALA 45 16.710 -23.790 -13.748 339 HB3 ALA 45 3HB ALA 45 17.042 -23.033 -15.306 340 H SER 46 H SER 46 20.288 -22.911 -12.582 341 HA SER 46 HA SER 46 22.516 -22.755 -13.013 342 HB2 SER 46 2HB SER 46 21.597 -23.897 -15.173 343 HB3 SER 46 3HB SER 46 21.930 -22.339 -15.929 344 HG SER 46 HG SER 46 24.099 -22.556 -15.186 345 H GLN 47 H GLN 47 20.868 -20.330 -12.579 346 HA GLN 47 HA GLN 47 22.395 -18.313 -14.055 347 HB2 GLN 47 2HB GLN 47 19.794 -18.329 -13.707 348 HB3 GLN 47 3HB GLN 47 20.196 -17.643 -12.139 349 HG2 GLN 47 2HG GLN 47 19.953 -15.720 -13.293 350 HG3 GLN 47 3HG GLN 47 21.652 -16.023 -13.653 351 HE21 GLN 47 1HE2 GLN 47 18.440 -15.891 -14.896 352 HE22 GLN 47 2HE2 GLN 47 18.845 -16.096 -16.563 353 H LYS 48 H LYS 48 23.596 -16.717 -13.026 354 HA LYS 48 HA LYS 48 24.905 -17.505 -10.634 355 HB2 LYS 48 2HB LYS 48 24.988 -14.756 -11.873 356 HB3 LYS 48 3HB LYS 48 26.217 -15.527 -10.879 357 HG2 LYS 48 2HG LYS 48 26.054 -17.291 -12.918 358 HG3 LYS 48 3HG LYS 48 25.671 -15.784 -13.753 359 HD2 LYS 48 2HD LYS 48 27.857 -15.281 -12.017 360 HD3 LYS 48 3HD LYS 48 28.210 -16.761 -12.911 361 HE2 LYS 48 2HE LYS 48 27.154 -14.367 -14.355 362 HE3 LYS 48 3HE LYS 48 28.858 -14.436 -13.907 363 HZ1 LYS 48 3HZ LYS 48 27.855 -15.447 -16.171 364 HZ2 LYS 48 1HZ LYS 48 27.834 -16.821 -15.184 365 HZ3 LYS 48 2HZ LYS 48 29.284 -15.990 -15.445 366 H VAL 49 H VAL 49 22.378 -15.168 -11.376 367 HA VAL 49 HA VAL 49 22.332 -14.043 -8.734 368 HB VAL 49 HB VAL 49 20.322 -12.865 -9.458 369 HG11 VAL 49 1HG1 VAL 49 22.688 -12.197 -10.178 370 HG12 VAL 49 2HG1 VAL 49 22.230 -12.795 -11.774 371 HG13 VAL 49 3HG1 VAL 49 21.332 -11.467 -11.036 372 HG21 VAL 49 3HG2 VAL 49 20.284 -14.987 -11.471 373 HG22 VAL 49 1HG2 VAL 49 18.965 -14.010 -10.825 374 HG23 VAL 49 2HG2 VAL 49 19.979 -13.377 -12.122 375 H ARG 50 H ARG 50 20.637 -16.592 -10.433 376 HA ARG 50 HA ARG 50 18.419 -16.966 -8.838 377 HB2 ARG 50 2HB ARG 50 18.768 -18.236 -10.878 378 HB3 ARG 50 3HB ARG 50 20.153 -19.054 -10.167 379 HG2 ARG 50 2HG ARG 50 18.052 -19.529 -8.401 380 HG3 ARG 50 3HG ARG 50 17.356 -19.708 -10.013 381 HD2 ARG 50 2HD ARG 50 18.144 -21.830 -9.670 382 HD3 ARG 50 3HD ARG 50 19.547 -21.095 -10.445 383 HE ARG 50 HE ARG 50 19.974 -20.684 -7.792 384 HH11 ARG 50 2HH1 ARG 50 19.303 -23.489 -9.742 385 HH12 ARG 50 1HH1 ARG 50 20.184 -24.573 -8.718 386 HH21 ARG 50 2HH2 ARG 50 21.136 -22.102 -6.435 387 HH22 ARG 50 1HH2 ARG 50 21.225 -23.783 -6.836 388 H ASN 51 H ASN 51 21.753 -17.904 -8.243 389 HA ASN 51 HA ASN 51 21.163 -19.476 -5.924 390 HB2 ASN 51 2HB ASN 51 23.187 -19.863 -7.273 391 HB3 ASN 51 3HB ASN 51 23.785 -18.266 -6.833 392 HD21 ASN 51 1HD2 ASN 51 25.619 -19.056 -5.852 393 HD22 ASN 51 2HD2 ASN 51 25.582 -19.901 -4.346 394 H LEU 52 H LEU 52 21.923 -16.126 -6.553 395 HA LEU 52 HA LEU 52 22.438 -15.461 -3.807 396 HB2 LEU 52 2HB LEU 52 23.204 -14.278 -6.012 397 HB3 LEU 52 3HB LEU 52 21.662 -13.439 -5.861 398 HG LEU 52 HG LEU 52 22.351 -12.584 -3.667 399 HD11 LEU 52 1HD1 LEU 52 24.892 -14.083 -4.262 400 HD12 LEU 52 2HD1 LEU 52 23.807 -14.298 -2.889 401 HD13 LEU 52 3HD1 LEU 52 24.760 -12.822 -3.036 402 HD21 LEU 52 3HD2 LEU 52 23.582 -10.854 -4.516 403 HD22 LEU 52 1HD2 LEU 52 22.982 -11.566 -6.014 404 HD23 LEU 52 2HD2 LEU 52 24.623 -11.914 -5.469 405 H LEU 53 H LEU 53 19.674 -15.437 -5.952 406 HA LEU 53 HA LEU 53 17.963 -13.815 -4.420 407 HB2 LEU 53 2HB LEU 53 17.577 -15.899 -6.516 408 HB3 LEU 53 3HB LEU 53 16.176 -15.327 -5.612 409 HG LEU 53 HG LEU 53 17.659 -13.075 -6.567 410 HD11 LEU 53 1HD1 LEU 53 16.944 -13.714 -9.048 411 HD12 LEU 53 2HD1 LEU 53 17.351 -15.328 -8.464 412 HD13 LEU 53 3HD1 LEU 53 18.557 -14.042 -8.412 413 HD21 LEU 53 3HD2 LEU 53 14.937 -14.168 -6.606 414 HD22 LEU 53 1HD2 LEU 53 15.335 -13.124 -7.971 415 HD23 LEU 53 2HD2 LEU 53 15.498 -12.519 -6.322 416 H LEU 54 H LEU 54 18.404 -17.340 -4.477 417 HA LEU 54 HA LEU 54 16.507 -17.788 -2.376 418 HB2 LEU 54 2HB LEU 54 18.639 -19.636 -3.433 419 HB3 LEU 54 3HB LEU 54 17.243 -20.093 -2.459 420 HG LEU 54 HG LEU 54 16.884 -18.829 -5.154 421 HD11 LEU 54 1HD1 LEU 54 17.258 -20.744 -6.300 422 HD12 LEU 54 2HD1 LEU 54 16.808 -21.777 -4.944 423 HD13 LEU 54 3HD1 LEU 54 18.400 -21.021 -4.984 424 HD21 LEU 54 3HD2 LEU 54 14.910 -18.962 -3.809 425 HD22 LEU 54 1HD2 LEU 54 15.232 -20.649 -3.410 426 HD23 LEU 54 2HD2 LEU 54 14.802 -20.200 -5.061 427 H HIS 55 H HIS 55 20.040 -17.703 -2.604 428 HA HIS 55 HA HIS 55 20.608 -18.462 0.033 429 HB2 HIS 55 2HB HIS 55 22.280 -18.340 -1.808 430 HB3 HIS 55 3HB HIS 55 22.212 -16.582 -1.712 431 HD1 HIS 55 HD1 HIS 55 23.232 -15.481 0.442 432 HD2 HIS 55 HD2 HIS 55 23.849 -19.576 0.105 433 HE1 HIS 55 HE1 HIS 55 25.031 -16.030 2.111 434 H LYS 56 H LYS 56 20.204 -15.233 -1.395 435 HA LYS 56 HA LYS 56 20.552 -13.876 1.099 436 HB2 LYS 56 2HB LYS 56 19.411 -12.920 -1.533 437 HB3 LYS 56 3HB LYS 56 19.772 -11.880 -0.161 438 HG2 LYS 56 2HG LYS 56 21.828 -13.576 -1.557 439 HG3 LYS 56 3HG LYS 56 21.499 -11.890 -1.962 440 HD2 LYS 56 2HD LYS 56 22.125 -11.191 0.264 441 HD3 LYS 56 3HD LYS 56 22.327 -12.870 0.770 442 HE2 LYS 56 2HE LYS 56 24.500 -12.053 0.341 443 HE3 LYS 56 3HE LYS 56 24.083 -13.067 -1.039 444 HZ1 LYS 56 3HZ LYS 56 25.143 -10.887 -1.590 445 HZ2 LYS 56 1HZ LYS 56 23.739 -10.123 -1.034 446 HZ3 LYS 56 2HZ LYS 56 23.664 -11.170 -2.360 447 H GLY 57 H GLY 57 17.807 -15.040 -0.761 448 HA2 GLY 57 2HA GLY 57 15.793 -13.681 0.702 449 HA3 GLY 57 3HA GLY 57 15.558 -15.109 -0.295 450 H LYS 58 H LYS 58 17.410 -16.772 1.163 451 HA LYS 58 HA LYS 58 15.634 -17.646 3.237 452 HB2 LYS 58 2HB LYS 58 16.585 -19.533 2.450 453 HB3 LYS 58 3HB LYS 58 18.004 -18.681 1.855 454 HG2 LYS 58 2HG LYS 58 17.681 -19.118 4.786 455 HG3 LYS 58 3HG LYS 58 18.225 -20.445 3.757 456 HD2 LYS 58 2HD LYS 58 19.654 -18.044 3.098 457 HD3 LYS 58 3HD LYS 58 19.766 -18.353 4.833 458 HE2 LYS 58 2HE LYS 58 21.593 -19.478 3.832 459 HE3 LYS 58 3HE LYS 58 20.412 -20.719 4.250 460 HZ1 LYS 58 3HZ LYS 58 20.039 -21.210 2.104 461 HZ2 LYS 58 1HZ LYS 58 21.565 -20.520 1.859 462 HZ3 LYS 58 2HZ LYS 58 20.169 -19.606 1.583 463 H GLU 59 H GLU 59 18.652 -15.886 3.079 464 HA GLU 59 HA GLU 59 19.314 -16.109 5.835 465 HB2 GLU 59 2HB GLU 59 20.219 -14.395 3.562 466 HB3 GLU 59 3HB GLU 59 20.649 -13.921 5.199 467 HG2 GLU 59 2HG GLU 59 21.207 -16.667 4.130 468 HG3 GLU 59 3HG GLU 59 22.327 -15.323 3.919 469 H VAL 60 H VAL 60 17.943 -13.413 3.943 470 HA VAL 60 HA VAL 60 17.497 -11.623 5.991 471 HB VAL 60 HB VAL 60 15.745 -10.626 4.621 472 HG11 VAL 60 1HG1 VAL 60 18.400 -11.182 3.775 473 HG12 VAL 60 2HG1 VAL 60 17.354 -11.184 2.354 474 HG13 VAL 60 3HG1 VAL 60 17.401 -9.775 3.415 475 HG21 VAL 60 3HG2 VAL 60 15.958 -13.120 2.935 476 HG22 VAL 60 1HG2 VAL 60 14.591 -12.671 3.955 477 HG23 VAL 60 2HG2 VAL 60 15.000 -11.691 2.546 478 H LEU 61 H LEU 61 15.679 -14.484 5.141 479 HA LEU 61 HA LEU 61 13.402 -13.872 6.761 480 HB2 LEU 61 2HB LEU 61 14.386 -16.439 5.533 481 HB3 LEU 61 3HB LEU 61 12.873 -16.300 6.426 482 HG LEU 61 HG LEU 61 13.418 -14.610 4.005 483 HD11 LEU 61 1HD1 LEU 61 13.077 -16.283 2.580 484 HD12 LEU 61 2HD1 LEU 61 11.731 -16.918 3.526 485 HD13 LEU 61 3HD1 LEU 61 13.385 -17.374 3.932 486 HD21 LEU 61 3HD2 LEU 61 10.763 -15.199 4.089 487 HD22 LEU 61 1HD2 LEU 61 11.497 -13.753 4.784 488 HD23 LEU 61 2HD2 LEU 61 11.168 -15.153 5.806 489 H GLU 62 H GLU 62 16.403 -15.645 7.216 490 HA GLU 62 HA GLU 62 15.638 -16.687 9.787 491 HB2 GLU 62 2HB GLU 62 18.105 -16.747 8.106 492 HB3 GLU 62 3HB GLU 62 18.249 -17.100 9.822 493 HG2 GLU 62 2HG GLU 62 16.526 -18.862 9.551 494 HG3 GLU 62 3HG GLU 62 16.546 -18.557 7.815 495 H TRP 63 H TRP 63 17.276 -13.870 8.569 496 HA TRP 63 HA TRP 63 18.437 -13.102 11.074 497 HB2 TRP 63 2HB TRP 63 19.405 -12.370 8.938 498 HB3 TRP 63 3HB TRP 63 17.934 -11.473 8.574 499 HD1 TRP 63 HD1 TRP 63 17.929 -9.007 9.281 500 HE1 TRP 63 HE1 TRP 63 19.380 -7.533 10.813 501 HE3 TRP 63 HE3 TRP 63 20.927 -12.628 11.289 502 HZ2 TRP 63 HZ2 TRP 63 21.514 -7.862 12.631 503 HZ3 TRP 63 HZ3 TRP 63 22.649 -11.965 12.916 504 HH2 TRP 63 HH2 TRP 63 22.935 -9.631 13.572 505 H ALA 64 H ALA 64 15.606 -12.049 9.204 506 HA ALA 64 HA ALA 64 14.720 -10.011 10.866 507 HB1 ALA 64 1HB ALA 64 13.258 -11.896 9.047 508 HB2 ALA 64 2HB ALA 64 12.414 -10.644 9.958 509 HB3 ALA 64 3HB ALA 64 13.658 -10.198 8.791 510 H GLU 65 H GLU 65 14.427 -13.479 11.214 511 HA GLU 65 HA GLU 65 12.483 -13.372 13.318 512 HB2 GLU 65 2HB GLU 65 14.261 -15.560 12.252 513 HB3 GLU 65 3HB GLU 65 13.202 -15.804 13.634 514 HG2 GLU 65 2HG GLU 65 11.449 -14.770 11.876 515 HG3 GLU 65 3HG GLU 65 12.564 -15.574 10.772 516 H HIS 66 H HIS 66 15.917 -13.132 13.113 517 HA HIS 66 HA HIS 66 16.564 -13.923 15.756 518 HB2 HIS 66 2HB HIS 66 17.963 -13.010 13.466 519 HB3 HIS 66 3HB HIS 66 18.402 -11.943 14.797 520 HD1 HIS 66 HD1 HIS 66 19.689 -12.999 16.788 521 HD2 HIS 66 HD2 HIS 66 18.911 -15.625 13.664 522 HE1 HIS 66 HE1 HIS 66 21.143 -15.006 17.218 523 H LEU 67 H LEU 67 16.217 -10.688 14.297 524 HA LEU 67 HA LEU 67 16.442 -9.320 16.780 525 HB2 LEU 67 2HB LEU 67 16.045 -7.358 15.583 526 HB3 LEU 67 3HB LEU 67 16.877 -8.413 14.443 527 HG LEU 67 HG LEU 67 14.317 -8.964 13.807 528 HD11 LEU 67 1HD1 LEU 67 14.254 -6.023 14.411 529 HD12 LEU 67 2HD1 LEU 67 13.611 -7.230 15.524 530 HD13 LEU 67 3HD1 LEU 67 12.929 -7.073 13.906 531 HD21 LEU 67 3HD2 LEU 67 16.239 -6.900 12.811 532 HD22 LEU 67 1HD2 LEU 67 14.651 -7.074 12.065 533 HD23 LEU 67 2HD2 LEU 67 15.769 -8.438 12.084 534 H ALA 68 H ALA 68 13.778 -10.645 14.954 535 HA ALA 68 HA ALA 68 11.670 -9.287 16.243 536 HB1 ALA 68 1HB ALA 68 11.254 -10.417 14.177 537 HB2 ALA 68 2HB ALA 68 11.742 -11.966 14.866 538 HB3 ALA 68 3HB ALA 68 10.266 -11.179 15.424 539 H GLU 69 H GLU 69 13.465 -12.202 17.046 540 HA GLU 69 HA GLU 69 11.730 -12.886 19.246 541 HB2 GLU 69 2HB GLU 69 14.334 -13.985 18.214 542 HB3 GLU 69 3HB GLU 69 13.648 -14.533 19.738 543 HG2 GLU 69 2HG GLU 69 11.828 -14.554 17.423 544 HG3 GLU 69 3HG GLU 69 13.166 -15.701 17.373 545 H TRP 70 H TRP 70 14.487 -10.903 18.748 546 HA TRP 70 HA TRP 70 15.854 -10.898 21.101 547 HB2 TRP 70 2HB TRP 70 16.016 -9.350 18.975 548 HB3 TRP 70 3HB TRP 70 15.060 -8.247 19.960 549 HD1 TRP 70 HD1 TRP 70 16.253 -7.105 22.041 550 HE1 TRP 70 HE1 TRP 70 18.726 -6.877 22.716 551 HE3 TRP 70 HE3 TRP 70 18.276 -10.605 18.911 552 HZ2 TRP 70 HZ2 TRP 70 21.207 -8.028 22.014 553 HZ3 TRP 70 HZ3 TRP 70 20.707 -10.980 18.975 554 HH2 TRP 70 HH2 TRP 70 22.140 -9.717 20.495 555 H ILE 71 H ILE 71 12.676 -9.515 20.500 556 HA ILE 71 HA ILE 71 12.294 -7.981 22.752 557 HB ILE 71 HB ILE 71 9.872 -8.582 22.583 558 HG12 ILE 71 2HG1 ILE 71 10.951 -10.477 20.497 559 HG13 ILE 71 3HG1 ILE 71 9.952 -10.864 21.894 560 HG21 ILE 71 1HG2 ILE 71 10.860 -8.041 19.822 561 HG22 ILE 71 2HG2 ILE 71 9.546 -7.279 20.716 562 HG23 ILE 71 3HG2 ILE 71 11.221 -6.895 21.113 563 HD11 ILE 71 3HD1 ILE 71 8.414 -10.960 20.211 564 HD12 ILE 71 1HD1 ILE 71 8.237 -9.281 20.717 565 HD13 ILE 71 2HD1 ILE 71 9.184 -9.674 19.282 566 H LEU 72 H LEU 72 11.869 -11.487 22.414 567 HA LEU 72 HA LEU 72 11.020 -11.870 25.112 568 HB2 LEU 72 2HB LEU 72 12.192 -13.913 23.236 569 HB3 LEU 72 3HB LEU 72 11.195 -14.221 24.655 570 HG LEU 72 HG LEU 72 9.737 -12.546 22.865 571 HD11 LEU 72 1HD1 LEU 72 9.772 -13.601 20.837 572 HD12 LEU 72 2HD1 LEU 72 10.368 -15.118 21.509 573 HD13 LEU 72 3HD1 LEU 72 11.467 -13.755 21.299 574 HD21 LEU 72 3HD2 LEU 72 8.911 -14.155 24.608 575 HD22 LEU 72 1HD2 LEU 72 9.315 -15.461 23.493 576 HD23 LEU 72 2HD2 LEU 72 8.101 -14.262 23.044 577 H GLU 73 H GLU 73 14.098 -12.212 23.403 578 HA GLU 73 HA GLU 73 15.622 -13.386 25.394 579 HB2 GLU 73 2HB GLU 73 16.296 -12.842 22.999 580 HB3 GLU 73 3HB GLU 73 16.653 -11.218 23.570 581 HG2 GLU 73 2HG GLU 73 18.535 -11.852 24.630 582 HG3 GLU 73 3HG GLU 73 17.875 -13.416 25.101 583 H HIS 74 H HIS 74 14.493 -10.102 25.100 584 HA HIS 74 HA HIS 74 14.683 -8.265 26.435 585 HB2 HIS 74 2HB HIS 74 13.960 -10.414 28.022 586 HB3 HIS 74 3HB HIS 74 15.308 -9.700 28.901 587 HD1 HIS 74 HD1 HIS 74 14.460 -8.160 30.623 588 HD2 HIS 74 HD2 HIS 74 12.143 -8.030 27.177 589 HE1 HIS 74 HE1 HIS 74 12.682 -6.439 31.073 Start of MODEL 13 1 H1 MET 1 H MET 1 -0.342 0.800 -2.642 2 HA MET 1 HA MET 1 -1.229 -1.264 -3.054 3 HB2 MET 1 2HB MET 1 0.804 -1.020 -5.160 4 HB3 MET 1 3HB MET 1 0.439 -2.678 -4.703 5 HG2 MET 1 2HG MET 1 -1.726 -2.555 -5.441 6 HG3 MET 1 3HG MET 1 -1.807 -0.805 -5.247 7 HE1 MET 1 3HE MET 1 -1.507 0.856 -7.184 8 HE2 MET 1 1HE MET 1 0.174 0.650 -6.692 9 HE3 MET 1 2HE MET 1 -0.252 0.626 -8.403 10 H GLY 2 H GLY 2 2.333 -1.544 -3.037 11 HA2 GLY 2 2HA GLY 2 2.957 -2.412 -0.630 12 HA3 GLY 2 3HA GLY 2 2.109 -3.831 -1.226 13 H THR 3 H THR 3 4.923 -3.484 -0.430 14 HA THR 3 HA THR 3 6.099 -4.738 -2.773 15 HB THR 3 HB THR 3 6.666 -2.414 -3.177 16 HG1 THR 3 HG1 THR 3 8.344 -3.706 -3.753 17 HG21 THR 3 3HG2 THR 3 8.004 -2.408 -0.472 18 HG22 THR 3 1HG2 THR 3 6.438 -1.669 -0.805 19 HG23 THR 3 2HG2 THR 3 7.888 -1.064 -1.606 20 H ILE 4 H ILE 4 7.887 -6.041 -2.305 21 HA ILE 4 HA ILE 4 7.931 -7.346 0.123 22 HB ILE 4 HB ILE 4 10.222 -7.059 -1.824 23 HG12 ILE 4 2HG1 ILE 4 8.233 -7.966 -2.889 24 HG13 ILE 4 3HG1 ILE 4 9.423 -9.245 -2.677 25 HG21 ILE 4 1HG2 ILE 4 10.260 -9.550 -0.494 26 HG22 ILE 4 2HG2 ILE 4 11.442 -8.245 -0.401 27 HG23 ILE 4 3HG2 ILE 4 10.098 -8.299 0.739 28 HD11 ILE 4 3HD1 ILE 4 7.011 -8.765 -0.943 29 HD12 ILE 4 1HD1 ILE 4 7.190 -10.030 -2.158 30 HD13 ILE 4 2HD1 ILE 4 8.205 -10.043 -0.716 31 H ASP 5 H ASP 5 9.953 -4.646 -0.956 32 HA ASP 5 HA ASP 5 11.745 -4.506 1.143 33 HB2 ASP 5 2HB ASP 5 10.991 -2.858 -1.022 34 HB3 ASP 5 3HB ASP 5 10.924 -1.846 0.418 35 H ASP 6 H ASP 6 8.382 -3.599 1.048 36 HA ASP 6 HA ASP 6 8.317 -1.979 3.355 37 HB2 ASP 6 2HB ASP 6 6.510 -2.485 1.478 38 HB3 ASP 6 3HB ASP 6 5.967 -3.679 2.654 39 H ALA 7 H ALA 7 8.107 -5.454 2.880 40 HA ALA 7 HA ALA 7 7.245 -6.164 5.461 41 HB1 ALA 7 1HB ALA 7 8.381 -8.382 4.889 42 HB2 ALA 7 2HB ALA 7 7.080 -7.834 3.830 43 HB3 ALA 7 3HB ALA 7 8.762 -7.641 3.334 44 H PHE 8 H PHE 8 10.483 -5.709 4.103 45 HA PHE 8 HA PHE 8 11.846 -6.499 6.484 46 HB2 PHE 8 2HB PHE 8 12.966 -4.782 4.269 47 HB3 PHE 8 3HB PHE 8 13.850 -5.830 5.373 48 HD1 PHE 8 HD1 PHE 8 12.292 -8.300 5.265 49 HD2 PHE 8 HD2 PHE 8 13.385 -5.610 2.153 50 HE1 PHE 8 HE1 PHE 8 12.152 -10.136 3.633 51 HE2 PHE 8 HE2 PHE 8 13.246 -7.441 0.516 52 HZ PHE 8 HZ PHE 8 12.629 -9.708 1.255 53 H ARG 9 H ARG 9 10.635 -3.482 5.201 54 HA ARG 9 HA ARG 9 12.034 -1.819 7.071 55 HB2 ARG 9 2HB ARG 9 9.780 -1.340 5.133 56 HB3 ARG 9 3HB ARG 9 10.318 -0.092 6.249 57 HG2 ARG 9 2HG ARG 9 12.599 -0.296 5.292 58 HG3 ARG 9 3HG ARG 9 11.949 -1.423 4.099 59 HD2 ARG 9 2HD ARG 9 12.109 0.838 3.191 60 HD3 ARG 9 3HD ARG 9 10.432 0.302 3.283 61 HE ARG 9 HE ARG 9 11.130 1.734 5.617 62 HH11 ARG 9 2HH1 ARG 9 10.425 2.192 2.238 63 HH12 ARG 9 1HH1 ARG 9 9.833 3.807 2.447 64 HH21 ARG 9 2HH2 ARG 9 10.352 3.859 5.904 65 HH22 ARG 9 1HH2 ARG 9 9.793 4.755 4.532 66 H ALA 10 H ALA 10 8.931 -3.424 6.952 67 HA ALA 10 HA ALA 10 7.803 -2.012 9.176 68 HB1 ALA 10 1HB ALA 10 6.652 -3.363 7.228 69 HB2 ALA 10 2HB ALA 10 6.797 -4.694 8.376 70 HB3 ALA 10 3HB ALA 10 5.907 -3.238 8.822 71 H ILE 11 H ILE 11 9.801 -4.820 8.766 72 HA ILE 11 HA ILE 11 9.319 -6.266 11.064 73 HB ILE 11 HB ILE 11 11.033 -6.656 9.126 74 HG12 ILE 11 2HG1 ILE 11 12.442 -8.028 10.919 75 HG13 ILE 11 3HG1 ILE 11 11.116 -7.545 11.972 76 HG21 ILE 11 1HG2 ILE 11 13.250 -6.035 9.493 77 HG22 ILE 11 2HG2 ILE 11 12.335 -4.589 9.917 78 HG23 ILE 11 3HG2 ILE 11 12.958 -5.642 11.187 79 HD11 ILE 11 3HD1 ILE 11 9.671 -8.953 11.004 80 HD12 ILE 11 1HD1 ILE 11 10.300 -8.654 9.384 81 HD13 ILE 11 2HD1 ILE 11 11.133 -9.776 10.460 82 H GLU 12 H GLU 12 10.907 -3.191 10.708 83 HA GLU 12 HA GLU 12 12.291 -3.116 13.157 84 HB2 GLU 12 2HB GLU 12 12.534 -1.530 11.186 85 HB3 GLU 12 3HB GLU 12 11.081 -0.729 11.767 86 HG2 GLU 12 2HG GLU 12 12.264 -0.391 13.954 87 HG3 GLU 12 3HG GLU 12 13.730 -0.967 13.164 88 H ARG 13 H ARG 13 8.971 -2.344 12.292 89 HA ARG 13 HA ARG 13 8.209 -1.056 14.663 90 HB2 ARG 13 2HB ARG 13 6.969 -1.765 12.288 91 HB3 ARG 13 3HB ARG 13 6.106 -2.705 13.497 92 HG2 ARG 13 2HG ARG 13 4.887 -0.744 13.384 93 HG3 ARG 13 3HG ARG 13 5.929 -0.482 14.784 94 HD2 ARG 13 2HD ARG 13 7.507 0.495 12.837 95 HD3 ARG 13 3HD ARG 13 5.923 0.834 12.140 96 HE ARG 13 HE ARG 13 7.142 2.153 14.364 97 HH11 ARG 13 2HH1 ARG 13 4.095 1.231 12.954 98 HH12 ARG 13 1HH1 ARG 13 3.206 2.503 13.723 99 HH21 ARG 13 2HH2 ARG 13 5.982 3.833 15.381 100 HH22 ARG 13 1HH2 ARG 13 4.280 3.984 15.102 101 H ALA 14 H ALA 14 8.646 -4.420 13.894 102 HA ALA 14 HA ALA 14 7.196 -5.454 16.129 103 HB1 ALA 14 1HB ALA 14 8.909 -6.554 13.994 104 HB2 ALA 14 2HB ALA 14 8.837 -7.483 15.492 105 HB3 ALA 14 3HB ALA 14 7.355 -7.116 14.610 106 H ILE 15 H ILE 15 10.668 -5.058 15.434 107 HA ILE 15 HA ILE 15 11.528 -5.939 17.989 108 HB ILE 15 HB ILE 15 13.037 -5.982 16.080 109 HG12 ILE 15 2HG1 ILE 15 14.495 -3.990 17.648 110 HG13 ILE 15 3HG1 ILE 15 13.670 -5.180 18.648 111 HG21 ILE 15 1HG2 ILE 15 12.988 -2.970 16.201 112 HG22 ILE 15 2HG2 ILE 15 13.950 -3.963 15.107 113 HG23 ILE 15 3HG2 ILE 15 12.192 -3.952 14.971 114 HD11 ILE 15 3HD1 ILE 15 14.867 -6.701 16.687 115 HD12 ILE 15 1HD1 ILE 15 16.054 -5.443 17.030 116 HD13 ILE 15 2HD1 ILE 15 15.449 -6.465 18.335 117 H GLN 16 H GLN 16 10.762 -2.779 16.641 118 HA GLN 16 HA GLN 16 11.779 -1.207 18.741 119 HB2 GLN 16 2HB GLN 16 9.644 -0.743 16.673 120 HB3 GLN 16 3HB GLN 16 10.019 0.470 17.890 121 HG2 GLN 16 2HG GLN 16 12.099 -0.697 16.066 122 HG3 GLN 16 3HG GLN 16 11.148 0.728 15.650 123 HE21 GLN 16 1HE2 GLN 16 11.614 2.661 16.584 124 HE22 GLN 16 2HE2 GLN 16 12.963 2.920 17.632 125 H ALA 17 H ALA 17 8.947 -3.152 18.481 126 HA ALA 17 HA ALA 17 7.316 -1.878 20.398 127 HB1 ALA 17 1HB ALA 17 5.898 -3.411 19.657 128 HB2 ALA 17 2HB ALA 17 7.209 -4.229 18.805 129 HB3 ALA 17 3HB ALA 17 6.830 -4.667 20.471 130 H GLU 18 H GLU 18 9.391 -4.766 20.727 131 HA GLU 18 HA GLU 18 10.472 -5.663 22.516 132 HB2 GLU 18 2HB GLU 18 10.146 -2.952 23.807 133 HB3 GLU 18 3HB GLU 18 11.328 -4.186 24.219 134 HG2 GLU 18 2HG GLU 18 11.225 -2.884 21.518 135 HG3 GLU 18 3HG GLU 18 12.157 -2.227 22.862 136 H ASN 19 H ASN 19 7.407 -5.260 22.385 137 HA ASN 19 HA ASN 19 6.715 -6.845 24.555 138 HB2 ASN 19 2HB ASN 19 7.156 -5.124 26.100 139 HB3 ASN 19 3HB ASN 19 6.457 -3.889 25.058 140 HD21 ASN 19 1HD2 ASN 19 5.226 -7.038 26.106 141 HD22 ASN 19 2HD2 ASN 19 3.789 -6.425 26.843 142 H GLU 20 H GLU 20 5.519 -7.781 22.874 143 HA GLU 20 HA GLU 20 2.874 -6.668 22.553 144 HB2 GLU 20 2HB GLU 20 4.800 -6.891 20.258 145 HB3 GLU 20 3HB GLU 20 3.068 -7.027 19.995 146 HG2 GLU 20 2HG GLU 20 4.559 -4.671 21.117 147 HG3 GLU 20 3HG GLU 20 3.729 -4.777 19.565 148 H GLY 21 H GLY 21 4.720 -8.995 20.595 149 HA2 GLY 21 2HA GLY 21 4.628 -11.383 21.063 150 HA3 GLY 21 3HA GLY 21 3.005 -11.134 21.689 151 H ARG 22 H ARG 22 2.275 -9.339 19.474 152 HA ARG 22 HA ARG 22 1.140 -11.226 17.744 153 HB2 ARG 22 2HB ARG 22 0.552 -9.286 16.326 154 HB3 ARG 22 3HB ARG 22 0.165 -9.025 18.022 155 HG2 ARG 22 2HG ARG 22 1.733 -7.396 18.276 156 HG3 ARG 22 3HG ARG 22 2.799 -8.077 17.045 157 HD2 ARG 22 2HD ARG 22 1.984 -6.122 16.066 158 HD3 ARG 22 3HD ARG 22 0.982 -7.396 15.372 159 HE ARG 22 HE ARG 22 -0.415 -6.553 17.556 160 HH11 ARG 22 2HH1 ARG 22 0.911 -4.995 14.739 161 HH12 ARG 22 1HH1 ARG 22 -0.302 -3.759 14.690 162 HH21 ARG 22 2HH2 ARG 22 -2.018 -4.931 17.502 163 HH22 ARG 22 1HH2 ARG 22 -1.967 -3.723 16.263 164 H TYR 23 H TYR 23 4.278 -9.892 17.821 165 HA TYR 23 HA TYR 23 5.117 -9.740 15.231 166 HB2 TYR 23 2HB TYR 23 7.318 -10.124 15.996 167 HB3 TYR 23 3HB TYR 23 6.476 -9.417 17.371 168 HD1 TYR 23 HD2 TYR 23 5.622 -10.986 19.185 169 HD2 TYR 23 HD1 TYR 23 8.371 -12.213 16.178 170 HE1 TYR 23 HE2 TYR 23 6.282 -12.902 20.578 171 HE2 TYR 23 HE1 TYR 23 9.038 -14.134 17.563 172 HH TYR 23 HH TYR 23 7.643 -14.644 20.790 173 H ARG 24 H ARG 24 4.354 -12.625 17.053 174 HA ARG 24 HA ARG 24 5.541 -14.546 15.399 175 HB2 ARG 24 2HB ARG 24 3.724 -16.067 16.329 176 HB3 ARG 24 3HB ARG 24 4.764 -15.276 17.505 177 HG2 ARG 24 2HG ARG 24 2.993 -14.424 18.514 178 HG3 ARG 24 3HG ARG 24 2.533 -13.589 17.028 179 HD2 ARG 24 2HD ARG 24 1.749 -16.364 17.898 180 HD3 ARG 24 3HD ARG 24 0.697 -14.962 17.705 181 HE ARG 24 HE ARG 24 2.089 -15.811 15.313 182 HH11 ARG 24 2HH1 ARG 24 -0.803 -16.026 17.241 183 HH12 ARG 24 1HH1 ARG 24 -1.797 -16.554 15.924 184 HH21 ARG 24 2HH2 ARG 24 0.789 -16.505 13.572 185 HH22 ARG 24 1HH2 ARG 24 -0.891 -16.827 13.838 186 H GLU 25 H GLU 25 2.298 -13.106 15.302 187 HA GLU 25 HA GLU 25 1.504 -14.610 12.993 188 HB2 GLU 25 2HB GLU 25 -0.563 -13.663 13.264 189 HB3 GLU 25 3HB GLU 25 0.069 -13.442 14.889 190 HG2 GLU 25 2HG GLU 25 0.858 -11.147 14.041 191 HG3 GLU 25 3HG GLU 25 -0.266 -11.421 12.711 192 H ALA 26 H ALA 26 2.973 -11.504 13.589 193 HA ALA 26 HA ALA 26 2.501 -10.395 11.011 194 HB1 ALA 26 1HB ALA 26 4.579 -8.965 11.780 195 HB2 ALA 26 2HB ALA 26 2.989 -8.743 12.511 196 HB3 ALA 26 3HB ALA 26 4.214 -9.702 13.340 197 H LEU 27 H LEU 27 5.236 -12.117 12.473 198 HA LEU 27 HA LEU 27 7.085 -11.891 10.430 199 HB2 LEU 27 2HB LEU 27 6.537 -14.039 12.443 200 HB3 LEU 27 3HB LEU 27 7.810 -14.239 11.241 201 HG LEU 27 HG LEU 27 7.659 -12.055 13.319 202 HD11 LEU 27 1HD1 LEU 27 9.775 -14.156 13.160 203 HD12 LEU 27 2HD1 LEU 27 8.240 -14.510 13.952 204 HD13 LEU 27 3HD1 LEU 27 9.250 -13.190 14.539 205 HD21 LEU 27 3HD2 LEU 27 10.125 -11.838 12.463 206 HD22 LEU 27 1HD2 LEU 27 8.807 -11.029 11.615 207 HD23 LEU 27 2HD2 LEU 27 9.458 -12.545 10.991 208 H LYS 28 H LYS 28 4.215 -13.849 10.605 209 HA LYS 28 HA LYS 28 4.800 -15.727 8.604 210 HB2 LYS 28 2HB LYS 28 2.623 -15.126 10.244 211 HB3 LYS 28 3HB LYS 28 2.011 -14.922 8.608 212 HG2 LYS 28 2HG LYS 28 2.806 -17.189 8.057 213 HG3 LYS 28 3HG LYS 28 3.327 -17.387 9.732 214 HD2 LYS 28 2HD LYS 28 1.176 -17.519 10.528 215 HD3 LYS 28 3HD LYS 28 0.511 -16.570 9.196 216 HE2 LYS 28 2HE LYS 28 -0.125 -18.480 8.252 217 HE3 LYS 28 3HE LYS 28 1.579 -18.862 8.009 218 HZ1 LYS 28 3HZ LYS 28 1.275 -19.607 10.537 219 HZ2 LYS 28 1HZ LYS 28 1.027 -20.653 9.231 220 HZ3 LYS 28 2HZ LYS 28 -0.293 -19.901 9.974 221 H HIS 29 H HIS 29 3.683 -12.414 8.441 222 HA HIS 29 HA HIS 29 3.039 -12.519 5.642 223 HB2 HIS 29 2HB HIS 29 2.754 -10.630 7.804 224 HB3 HIS 29 3HB HIS 29 3.439 -9.836 6.389 225 HD1 HIS 29 HD1 HIS 29 0.296 -10.548 7.849 226 HD2 HIS 29 HD2 HIS 29 1.757 -10.584 3.960 227 HE1 HIS 29 HE1 HIS 29 -1.732 -10.409 6.368 228 H PHE 30 H PHE 30 5.774 -11.470 7.597 229 HA PHE 30 HA PHE 30 7.223 -10.304 5.437 230 HB2 PHE 30 2HB PHE 30 8.302 -11.331 8.069 231 HB3 PHE 30 3HB PHE 30 9.084 -10.182 6.988 232 HD1 PHE 30 HD2 PHE 30 6.832 -8.408 6.314 233 HD2 PHE 30 HD1 PHE 30 7.968 -10.143 10.031 234 HE1 PHE 30 HE2 PHE 30 5.749 -6.549 7.508 235 HE2 PHE 30 HE1 PHE 30 6.886 -8.288 11.231 236 HZ PHE 30 HZ PHE 30 5.776 -6.487 9.970 237 H LEU 31 H LEU 31 7.231 -13.470 6.999 238 HA LEU 31 HA LEU 31 9.473 -14.580 5.794 239 HB2 LEU 31 2HB LEU 31 7.190 -15.505 7.261 240 HB3 LEU 31 3HB LEU 31 7.529 -16.611 5.931 241 HG LEU 31 HG LEU 31 9.744 -17.023 6.762 242 HD11 LEU 31 1HD1 LEU 31 10.238 -15.967 9.103 243 HD12 LEU 31 2HD1 LEU 31 9.132 -14.713 8.543 244 HD13 LEU 31 3HD1 LEU 31 10.593 -15.074 7.625 245 HD21 LEU 31 3HD2 LEU 31 7.773 -18.219 7.769 246 HD22 LEU 31 1HD2 LEU 31 7.888 -17.104 9.131 247 HD23 LEU 31 2HD2 LEU 31 9.229 -18.190 8.764 248 H ASP 32 H ASP 32 6.191 -14.224 4.572 249 HA ASP 32 HA ASP 32 6.589 -15.796 2.229 250 HB2 ASP 32 2HB ASP 32 4.403 -14.678 3.489 251 HB3 ASP 32 3HB ASP 32 4.547 -13.711 2.023 252 H GLY 33 H GLY 33 7.462 -12.611 3.126 253 HA2 GLY 33 2HA GLY 33 7.465 -11.383 0.571 254 HA3 GLY 33 3HA GLY 33 8.387 -10.854 1.970 255 H GLY 34 H GLY 34 9.942 -13.174 2.363 256 HA2 GLY 34 2HA GLY 34 11.975 -12.705 0.393 257 HA3 GLY 34 3HA GLY 34 12.068 -13.829 1.741 258 H GLU 35 H GLU 35 9.759 -15.362 1.111 259 HA GLU 35 HA GLU 35 10.874 -17.249 -0.646 260 HB2 GLU 35 2HB GLU 35 7.958 -17.004 0.101 261 HB3 GLU 35 3HB GLU 35 8.797 -18.453 -0.435 262 HG2 GLU 35 2HG GLU 35 10.138 -17.411 1.850 263 HG3 GLU 35 3HG GLU 35 8.414 -17.522 2.197 264 H MET 36 H MET 36 9.136 -14.386 -1.255 265 HA MET 36 HA MET 36 7.844 -15.068 -3.670 266 HB2 MET 36 2HB MET 36 8.773 -12.458 -2.495 267 HB3 MET 36 3HB MET 36 8.015 -12.533 -4.080 268 HG2 MET 36 2HG MET 36 6.501 -13.959 -2.057 269 HG3 MET 36 3HG MET 36 6.733 -12.257 -1.661 270 HE1 MET 36 3HE MET 36 4.295 -13.759 -1.906 271 HE2 MET 36 1HE MET 36 3.232 -12.564 -2.650 272 HE3 MET 36 2HE MET 36 3.592 -14.070 -3.494 273 H ILE 37 H ILE 37 10.999 -13.555 -3.031 274 HA ILE 37 HA ILE 37 11.813 -13.165 -5.658 275 HB ILE 37 HB ILE 37 12.989 -12.376 -3.557 276 HG12 ILE 37 2HG1 ILE 37 14.681 -13.689 -5.695 277 HG13 ILE 37 3HG1 ILE 37 13.931 -12.102 -5.818 278 HG21 ILE 37 1HG2 ILE 37 13.124 -15.012 -2.930 279 HG22 ILE 37 2HG2 ILE 37 14.739 -14.731 -3.579 280 HG23 ILE 37 3HG2 ILE 37 14.152 -13.763 -2.227 281 HD11 ILE 37 3HD1 ILE 37 16.334 -12.960 -4.340 282 HD12 ILE 37 1HD1 ILE 37 15.989 -11.446 -5.175 283 HD13 ILE 37 2HD1 ILE 37 15.319 -11.740 -3.571 284 H VAL 38 H VAL 38 11.579 -16.086 -3.816 285 HA VAL 38 HA VAL 38 13.391 -17.737 -5.132 286 HB VAL 38 HB VAL 38 10.673 -18.548 -4.092 287 HG11 VAL 38 1HG1 VAL 38 11.237 -20.568 -4.832 288 HG12 VAL 38 2HG1 VAL 38 12.845 -20.010 -5.300 289 HG13 VAL 38 3HG1 VAL 38 12.548 -20.567 -3.652 290 HG21 VAL 38 3HG2 VAL 38 13.324 -18.330 -2.668 291 HG22 VAL 38 1HG2 VAL 38 11.882 -17.359 -2.371 292 HG23 VAL 38 2HG2 VAL 38 11.876 -19.082 -1.998 293 H THR 39 H THR 39 10.096 -16.828 -6.011 294 HA THR 39 HA THR 39 9.594 -18.587 -8.074 295 HB THR 39 HB THR 39 8.018 -16.832 -7.158 296 HG1 THR 39 HG1 THR 39 7.012 -16.571 -9.272 297 HG21 THR 39 3HG2 THR 39 9.851 -15.015 -7.780 298 HG22 THR 39 1HG2 THR 39 8.129 -14.633 -7.779 299 HG23 THR 39 2HG2 THR 39 8.953 -14.990 -9.297 300 H ALA 40 H ALA 40 11.712 -15.814 -8.022 301 HA ALA 40 HA ALA 40 12.061 -15.662 -10.861 302 HB1 ALA 40 1HB ALA 40 14.271 -14.521 -9.455 303 HB2 ALA 40 2HB ALA 40 12.978 -13.711 -10.341 304 HB3 ALA 40 3HB ALA 40 12.771 -14.093 -8.632 305 H ALA 41 H ALA 41 13.769 -17.201 -8.191 306 HA ALA 41 HA ALA 41 15.999 -18.044 -9.775 307 HB1 ALA 41 1HB ALA 41 15.109 -18.357 -6.992 308 HB2 ALA 41 2HB ALA 41 16.071 -19.692 -7.629 309 HB3 ALA 41 3HB ALA 41 16.719 -18.052 -7.646 310 H GLU 42 H GLU 42 13.088 -19.646 -8.516 311 HA GLU 42 HA GLU 42 13.609 -22.224 -9.420 312 HB2 GLU 42 2HB GLU 42 10.987 -20.767 -9.076 313 HB3 GLU 42 3HB GLU 42 11.101 -22.485 -9.431 314 HG2 GLU 42 2HG GLU 42 12.786 -21.990 -7.228 315 HG3 GLU 42 3HG GLU 42 11.266 -21.154 -6.919 316 H LYS 43 H LYS 43 11.668 -19.705 -11.035 317 HA LYS 43 HA LYS 43 11.206 -21.111 -13.406 318 HB2 LYS 43 2HB LYS 43 10.650 -18.537 -12.393 319 HB3 LYS 43 3HB LYS 43 11.466 -18.294 -13.932 320 HG2 LYS 43 2HG LYS 43 9.725 -19.051 -15.121 321 HG3 LYS 43 3HG LYS 43 9.367 -20.340 -13.969 322 HD2 LYS 43 2HD LYS 43 7.972 -19.025 -12.722 323 HD3 LYS 43 3HD LYS 43 8.828 -17.537 -13.137 324 HE2 LYS 43 2HE LYS 43 7.047 -19.111 -14.996 325 HE3 LYS 43 3HE LYS 43 6.583 -17.642 -14.140 326 HZ1 LYS 43 3HZ LYS 43 8.459 -17.964 -16.384 327 HZ2 LYS 43 1HZ LYS 43 8.645 -16.661 -15.320 328 HZ3 LYS 43 2HZ LYS 43 7.205 -16.845 -16.189 329 H GLU 44 H GLU 44 14.017 -19.446 -12.272 330 HA GLU 44 HA GLU 44 15.244 -19.396 -14.914 331 HB2 GLU 44 2HB GLU 44 16.097 -18.388 -12.208 332 HB3 GLU 44 3HB GLU 44 17.210 -18.441 -13.568 333 HG2 GLU 44 2HG GLU 44 14.590 -16.961 -13.547 334 HG3 GLU 44 3HG GLU 44 16.166 -16.234 -13.242 335 H ALA 45 H ALA 45 17.794 -19.980 -14.609 336 HA ALA 45 HA ALA 45 18.381 -22.265 -13.037 337 HB1 ALA 45 1HB ALA 45 17.233 -22.705 -15.714 338 HB2 ALA 45 2HB ALA 45 18.682 -23.638 -15.337 339 HB3 ALA 45 3HB ALA 45 17.261 -23.759 -14.300 340 H SER 46 H SER 46 19.092 -20.592 -16.085 341 HA SER 46 HA SER 46 21.941 -21.132 -15.740 342 HB2 SER 46 2HB SER 46 20.921 -21.452 -17.976 343 HB3 SER 46 3HB SER 46 20.503 -19.740 -18.013 344 HG SER 46 HG SER 46 22.997 -20.977 -18.254 345 H GLN 47 H GLN 47 21.108 -19.550 -13.739 346 HA GLN 47 HA GLN 47 22.169 -16.905 -14.481 347 HB2 GLN 47 2HB GLN 47 19.613 -17.220 -13.793 348 HB3 GLN 47 3HB GLN 47 20.298 -17.130 -12.176 349 HG2 GLN 47 2HG GLN 47 19.614 -14.946 -12.786 350 HG3 GLN 47 3HG GLN 47 21.376 -14.981 -12.834 351 HE21 GLN 47 1HE2 GLN 47 18.481 -14.547 -14.617 352 HE22 GLN 47 2HE2 GLN 47 19.209 -14.154 -16.134 353 H LYS 48 H LYS 48 23.749 -16.086 -13.214 354 HA LYS 48 HA LYS 48 24.981 -17.848 -11.301 355 HB2 LYS 48 2HB LYS 48 25.772 -15.001 -11.908 356 HB3 LYS 48 3HB LYS 48 26.783 -16.284 -11.255 357 HG2 LYS 48 2HG LYS 48 26.132 -17.440 -13.555 358 HG3 LYS 48 3HG LYS 48 25.949 -15.754 -14.046 359 HD2 LYS 48 2HD LYS 48 28.283 -15.482 -12.886 360 HD3 LYS 48 3HD LYS 48 28.392 -17.223 -13.157 361 HE2 LYS 48 2HE LYS 48 27.993 -16.880 -15.541 362 HE3 LYS 48 3HE LYS 48 27.852 -15.143 -15.276 363 HZ1 LYS 48 3HZ LYS 48 30.289 -16.281 -14.250 364 HZ2 LYS 48 1HZ LYS 48 30.056 -14.906 -15.208 365 HZ3 LYS 48 2HZ LYS 48 30.130 -16.435 -15.928 366 H VAL 49 H VAL 49 23.006 -14.971 -11.219 367 HA VAL 49 HA VAL 49 23.487 -14.403 -8.444 368 HB VAL 49 HB VAL 49 21.703 -12.757 -8.646 369 HG11 VAL 49 1HG1 VAL 49 23.484 -11.621 -9.406 370 HG12 VAL 49 2HG1 VAL 49 23.952 -12.904 -10.524 371 HG13 VAL 49 3HG1 VAL 49 22.689 -11.757 -10.974 372 HG21 VAL 49 3HG2 VAL 49 19.981 -13.359 -9.952 373 HG22 VAL 49 1HG2 VAL 49 20.935 -12.662 -11.262 374 HG23 VAL 49 2HG2 VAL 49 20.986 -14.399 -10.962 375 H ARG 50 H ARG 50 21.126 -16.210 -10.296 376 HA ARG 50 HA ARG 50 19.017 -16.504 -8.613 377 HB2 ARG 50 2HB ARG 50 19.007 -17.614 -10.731 378 HB3 ARG 50 3HB ARG 50 20.392 -18.603 -10.287 379 HG2 ARG 50 2HG ARG 50 18.305 -19.018 -8.387 380 HG3 ARG 50 3HG ARG 50 17.659 -19.211 -10.018 381 HD2 ARG 50 2HD ARG 50 18.448 -21.310 -9.802 382 HD3 ARG 50 3HD ARG 50 19.980 -20.563 -10.253 383 HE ARG 50 HE ARG 50 19.922 -20.322 -7.552 384 HH11 ARG 50 2HH1 ARG 50 19.540 -22.996 -9.748 385 HH12 ARG 50 1HH1 ARG 50 20.187 -24.164 -8.644 386 HH21 ARG 50 2HH2 ARG 50 20.775 -21.851 -6.089 387 HH22 ARG 50 1HH2 ARG 50 20.888 -23.512 -6.563 388 H ASN 51 H ASN 51 22.095 -18.257 -8.403 389 HA ASN 51 HA ASN 51 21.507 -19.972 -6.313 390 HB2 ASN 51 2HB ASN 51 23.583 -20.187 -7.512 391 HB3 ASN 51 3HB ASN 51 24.102 -18.584 -7.000 392 HD21 ASN 51 1HD2 ASN 51 26.004 -19.549 -6.174 393 HD22 ASN 51 2HD2 ASN 51 25.990 -20.373 -4.655 394 H LEU 52 H LEU 52 22.799 -16.663 -6.135 395 HA LEU 52 HA LEU 52 22.776 -16.598 -3.279 396 HB2 LEU 52 2HB LEU 52 24.179 -15.205 -4.936 397 HB3 LEU 52 3HB LEU 52 22.757 -14.169 -5.035 398 HG LEU 52 HG LEU 52 22.919 -13.802 -2.584 399 HD11 LEU 52 1HD1 LEU 52 24.059 -15.710 -1.803 400 HD12 LEU 52 2HD1 LEU 52 25.170 -14.361 -1.571 401 HD13 LEU 52 3HD1 LEU 52 25.397 -15.467 -2.926 402 HD21 LEU 52 3HD2 LEU 52 24.303 -12.038 -2.873 403 HD22 LEU 52 1HD2 LEU 52 24.194 -12.522 -4.566 404 HD23 LEU 52 2HD2 LEU 52 25.581 -13.018 -3.595 405 H LEU 53 H LEU 53 20.504 -15.788 -5.793 406 HA LEU 53 HA LEU 53 18.776 -14.104 -4.391 407 HB2 LEU 53 2HB LEU 53 18.583 -15.863 -6.752 408 HB3 LEU 53 3HB LEU 53 17.057 -15.439 -5.979 409 HG LEU 53 HG LEU 53 17.244 -13.203 -6.540 410 HD11 LEU 53 1HD1 LEU 53 20.168 -13.732 -6.518 411 HD12 LEU 53 2HD1 LEU 53 19.248 -12.425 -5.775 412 HD13 LEU 53 3HD1 LEU 53 19.561 -12.406 -7.510 413 HD21 LEU 53 3HD2 LEU 53 18.741 -14.514 -8.802 414 HD22 LEU 53 1HD2 LEU 53 17.676 -13.111 -8.883 415 HD23 LEU 53 2HD2 LEU 53 17.008 -14.704 -8.529 416 H LEU 54 H LEU 54 18.882 -17.638 -4.577 417 HA LEU 54 HA LEU 54 16.566 -17.991 -2.922 418 HB2 LEU 54 2HB LEU 54 18.717 -19.964 -3.675 419 HB3 LEU 54 3HB LEU 54 17.156 -20.356 -2.958 420 HG LEU 54 HG LEU 54 17.199 -18.917 -5.566 421 HD11 LEU 54 1HD1 LEU 54 17.637 -21.887 -5.299 422 HD12 LEU 54 2HD1 LEU 54 18.857 -20.722 -5.814 423 HD13 LEU 54 3HD1 LEU 54 17.416 -20.982 -6.797 424 HD21 LEU 54 3HD2 LEU 54 15.244 -20.542 -5.872 425 HD22 LEU 54 1HD2 LEU 54 15.050 -19.236 -4.702 426 HD23 LEU 54 2HD2 LEU 54 15.415 -20.870 -4.147 427 H HIS 55 H HIS 55 20.063 -18.457 -2.440 428 HA HIS 55 HA HIS 55 20.005 -19.267 0.214 429 HB2 HIS 55 2HB HIS 55 22.018 -19.281 -1.255 430 HB3 HIS 55 3HB HIS 55 22.120 -17.532 -1.079 431 HD1 HIS 55 HD1 HIS 55 23.470 -20.522 0.300 432 HD2 HIS 55 HD2 HIS 55 22.349 -16.836 1.854 433 HE1 HIS 55 HE1 HIS 55 24.654 -20.336 2.511 434 H LYS 56 H LYS 56 20.015 -16.004 -1.145 435 HA LYS 56 HA LYS 56 20.226 -14.651 1.340 436 HB2 LYS 56 2HB LYS 56 19.410 -13.845 -1.432 437 HB3 LYS 56 3HB LYS 56 19.199 -12.727 -0.090 438 HG2 LYS 56 2HG LYS 56 21.585 -12.843 0.394 439 HG3 LYS 56 3HG LYS 56 21.803 -13.983 -0.936 440 HD2 LYS 56 2HD LYS 56 22.403 -11.953 -1.892 441 HD3 LYS 56 3HD LYS 56 20.717 -12.134 -2.385 442 HE2 LYS 56 2HE LYS 56 20.189 -10.228 -1.375 443 HE3 LYS 56 3HE LYS 56 20.812 -10.837 0.157 444 HZ1 LYS 56 3HZ LYS 56 22.969 -10.115 -1.498 445 HZ2 LYS 56 1HZ LYS 56 22.518 -9.459 -0.005 446 HZ3 LYS 56 2HZ LYS 56 21.879 -8.823 -1.436 447 H GLY 57 H GLY 57 17.537 -15.887 -0.534 448 HA2 GLY 57 2HA GLY 57 15.482 -14.497 0.854 449 HA3 GLY 57 3HA GLY 57 15.274 -15.941 -0.126 450 H LYS 58 H LYS 58 16.641 -17.857 1.132 451 HA LYS 58 HA LYS 58 14.976 -18.553 3.288 452 HB2 LYS 58 2HB LYS 58 16.585 -20.425 3.635 453 HB3 LYS 58 3HB LYS 58 16.028 -20.273 1.974 454 HG2 LYS 58 2HG LYS 58 18.278 -20.636 1.690 455 HG3 LYS 58 3HG LYS 58 18.192 -18.873 1.652 456 HD2 LYS 58 2HD LYS 58 19.525 -18.718 3.428 457 HD3 LYS 58 3HD LYS 58 18.486 -19.799 4.359 458 HE2 LYS 58 2HE LYS 58 19.611 -21.731 3.444 459 HE3 LYS 58 3HE LYS 58 20.575 -20.707 2.382 460 HZ1 LYS 58 3HZ LYS 58 21.379 -19.633 4.536 461 HZ2 LYS 58 1HZ LYS 58 21.976 -21.170 4.157 462 HZ3 LYS 58 2HZ LYS 58 20.754 -20.999 5.314 463 H GLU 59 H GLU 59 17.870 -16.699 3.140 464 HA GLU 59 HA GLU 59 18.658 -17.073 5.869 465 HB2 GLU 59 2HB GLU 59 19.598 -15.557 3.552 466 HB3 GLU 59 3HB GLU 59 19.784 -14.684 5.066 467 HG2 GLU 59 2HG GLU 59 20.700 -17.515 4.867 468 HG3 GLU 59 3HG GLU 59 21.690 -16.218 4.199 469 H VAL 60 H VAL 60 17.367 -14.226 4.144 470 HA VAL 60 HA VAL 60 16.887 -12.606 6.321 471 HB VAL 60 HB VAL 60 16.647 -11.758 4.074 472 HG11 VAL 60 1HG1 VAL 60 14.267 -13.600 3.885 473 HG12 VAL 60 2HG1 VAL 60 14.649 -12.337 2.713 474 HG13 VAL 60 3HG1 VAL 60 15.759 -13.687 2.949 475 HG21 VAL 60 3HG2 VAL 60 14.672 -10.421 4.342 476 HG22 VAL 60 1HG2 VAL 60 13.966 -11.604 5.444 477 HG23 VAL 60 2HG2 VAL 60 15.387 -10.681 5.933 478 H LEU 61 H LEU 61 15.035 -15.334 5.170 479 HA LEU 61 HA LEU 61 12.636 -14.849 6.553 480 HB2 LEU 61 2HB LEU 61 13.906 -17.097 5.180 481 HB3 LEU 61 3HB LEU 61 12.832 -17.578 6.492 482 HG LEU 61 HG LEU 61 11.013 -16.280 5.413 483 HD11 LEU 61 1HD1 LEU 61 12.711 -14.816 4.155 484 HD12 LEU 61 2HD1 LEU 61 11.229 -15.285 3.324 485 HD13 LEU 61 3HD1 LEU 61 12.740 -16.123 2.971 486 HD21 LEU 61 3HD2 LEU 61 10.425 -18.187 4.439 487 HD22 LEU 61 1HD2 LEU 61 12.066 -18.774 4.709 488 HD23 LEU 61 2HD2 LEU 61 11.651 -17.985 3.187 489 H GLU 62 H GLU 62 15.514 -16.726 7.463 490 HA GLU 62 HA GLU 62 14.467 -17.320 10.078 491 HB2 GLU 62 2HB GLU 62 16.647 -18.365 10.481 492 HB3 GLU 62 3HB GLU 62 15.951 -18.904 8.959 493 HG2 GLU 62 2HG GLU 62 17.435 -17.553 7.700 494 HG3 GLU 62 3HG GLU 62 17.985 -16.701 9.142 495 H TRP 63 H TRP 63 16.549 -14.919 8.647 496 HA TRP 63 HA TRP 63 17.703 -13.965 11.063 497 HB2 TRP 63 2HB TRP 63 18.497 -13.585 8.639 498 HB3 TRP 63 3HB TRP 63 17.304 -12.289 8.594 499 HD1 TRP 63 HD1 TRP 63 19.631 -13.104 11.572 500 HE1 TRP 63 HE1 TRP 63 21.082 -11.030 12.042 501 HE3 TRP 63 HE3 TRP 63 18.143 -10.169 7.660 502 HZ2 TRP 63 HZ2 TRP 63 21.535 -8.487 10.905 503 HZ3 TRP 63 HZ3 TRP 63 19.132 -7.928 7.423 504 HH2 TRP 63 HH2 TRP 63 20.793 -7.106 9.013 505 H ALA 64 H ALA 64 14.942 -12.901 9.102 506 HA ALA 64 HA ALA 64 14.239 -10.629 10.535 507 HB1 ALA 64 1HB ALA 64 12.958 -10.705 8.686 508 HB2 ALA 64 2HB ALA 64 12.865 -12.467 8.693 509 HB3 ALA 64 3HB ALA 64 11.816 -11.524 9.752 510 H GLU 65 H GLU 65 13.683 -14.006 11.254 511 HA GLU 65 HA GLU 65 11.773 -13.526 13.336 512 HB2 GLU 65 2HB GLU 65 13.403 -15.959 12.602 513 HB3 GLU 65 3HB GLU 65 12.217 -15.939 13.900 514 HG2 GLU 65 2HG GLU 65 10.885 -14.911 11.678 515 HG3 GLU 65 3HG GLU 65 11.835 -16.266 11.069 516 H HIS 66 H HIS 66 15.206 -13.523 13.102 517 HA HIS 66 HA HIS 66 15.819 -14.086 15.816 518 HB2 HIS 66 2HB HIS 66 17.261 -13.534 13.440 519 HB3 HIS 66 3HB HIS 66 17.785 -12.359 14.643 520 HD1 HIS 66 HD1 HIS 66 18.658 -13.443 16.964 521 HD2 HIS 66 HD2 HIS 66 18.379 -16.003 13.703 522 HE1 HIS 66 HE1 HIS 66 20.060 -15.445 17.558 523 H LEU 67 H LEU 67 15.645 -11.018 14.010 524 HA LEU 67 HA LEU 67 16.023 -9.396 16.314 525 HB2 LEU 67 2HB LEU 67 15.703 -7.561 14.911 526 HB3 LEU 67 3HB LEU 67 16.437 -8.786 13.879 527 HG LEU 67 HG LEU 67 13.845 -9.256 13.356 528 HD11 LEU 67 1HD1 LEU 67 14.022 -6.313 13.984 529 HD12 LEU 67 2HD1 LEU 67 13.005 -7.505 14.793 530 HD13 LEU 67 3HD1 LEU 67 12.703 -7.088 13.106 531 HD21 LEU 67 3HD2 LEU 67 14.267 -7.436 11.478 532 HD22 LEU 67 1HD2 LEU 67 15.140 -8.968 11.504 533 HD23 LEU 67 2HD2 LEU 67 15.906 -7.507 12.126 534 H ALA 68 H ALA 68 13.223 -10.717 14.685 535 HA ALA 68 HA ALA 68 11.248 -9.106 15.888 536 HB1 ALA 68 1HB ALA 68 10.656 -10.371 13.968 537 HB2 ALA 68 2HB ALA 68 11.134 -11.885 14.737 538 HB3 ALA 68 3HB ALA 68 9.714 -11.014 15.313 539 H GLU 69 H GLU 69 12.862 -12.057 16.923 540 HA GLU 69 HA GLU 69 11.157 -12.395 19.225 541 HB2 GLU 69 2HB GLU 69 13.669 -13.776 18.291 542 HB3 GLU 69 3HB GLU 69 12.898 -14.157 19.825 543 HG2 GLU 69 2HG GLU 69 11.041 -14.186 17.589 544 HG3 GLU 69 3HG GLU 69 12.365 -15.334 17.404 545 H TRP 70 H TRP 70 14.060 -10.715 18.463 546 HA TRP 70 HA TRP 70 15.474 -10.592 20.791 547 HB2 TRP 70 2HB TRP 70 15.438 -9.146 18.429 548 HB3 TRP 70 3HB TRP 70 15.110 -7.926 19.657 549 HD1 TRP 70 HD1 TRP 70 17.802 -10.496 18.663 550 HE1 TRP 70 HE1 TRP 70 20.044 -9.752 19.686 551 HE3 TRP 70 HE3 TRP 70 16.148 -6.546 21.455 552 HZ2 TRP 70 HZ2 TRP 70 20.986 -7.754 21.444 553 HZ3 TRP 70 HZ3 TRP 70 17.784 -5.271 22.779 554 HH2 TRP 70 HH2 TRP 70 20.152 -5.865 22.773 555 H ILE 71 H ILE 71 12.426 -8.998 20.069 556 HA ILE 71 HA ILE 71 12.239 -7.183 22.131 557 HB ILE 71 HB ILE 71 9.776 -7.537 22.049 558 HG12 ILE 71 2HG1 ILE 71 10.603 -9.816 20.253 559 HG13 ILE 71 3HG1 ILE 71 9.583 -9.882 21.686 560 HG21 ILE 71 1HG2 ILE 71 9.504 -6.603 19.911 561 HG22 ILE 71 2HG2 ILE 71 11.128 -6.134 20.413 562 HG23 ILE 71 3HG2 ILE 71 10.907 -7.457 19.268 563 HD11 ILE 71 3HD1 ILE 71 8.924 -8.937 18.937 564 HD12 ILE 71 1HD1 ILE 71 8.060 -10.072 19.973 565 HD13 ILE 71 2HD1 ILE 71 8.010 -8.343 20.323 566 H LEU 72 H LEU 72 11.490 -10.648 22.205 567 HA LEU 72 HA LEU 72 10.665 -10.636 24.939 568 HB2 LEU 72 2HB LEU 72 11.594 -12.988 23.305 569 HB3 LEU 72 3HB LEU 72 10.592 -13.025 24.754 570 HG LEU 72 HG LEU 72 9.262 -11.433 22.813 571 HD11 LEU 72 1HD1 LEU 72 9.323 -12.544 20.859 572 HD12 LEU 72 2HD1 LEU 72 9.495 -14.118 21.635 573 HD13 LEU 72 3HD1 LEU 72 10.903 -13.075 21.435 574 HD21 LEU 72 3HD2 LEU 72 8.348 -12.828 24.705 575 HD22 LEU 72 1HD2 LEU 72 8.602 -14.239 23.679 576 HD23 LEU 72 2HD2 LEU 72 7.492 -12.967 23.169 577 H GLU 73 H GLU 73 13.663 -11.412 23.241 578 HA GLU 73 HA GLU 73 15.122 -12.531 25.310 579 HB2 GLU 73 2HB GLU 73 15.667 -11.871 22.737 580 HB3 GLU 73 3HB GLU 73 16.602 -10.646 23.583 581 HG2 GLU 73 2HG GLU 73 17.410 -12.743 24.975 582 HG3 GLU 73 3HG GLU 73 16.963 -13.586 23.493 583 H HIS 74 H HIS 74 14.284 -9.195 24.726 584 HA HIS 74 HA HIS 74 16.155 -8.021 26.504 585 HB2 HIS 74 2HB HIS 74 14.939 -6.777 24.721 586 HB3 HIS 74 3HB HIS 74 13.457 -6.944 25.659 587 HD1 HIS 74 HD1 HIS 74 12.938 -4.906 26.937 588 HD2 HIS 74 HD2 HIS 74 17.036 -5.445 26.514 589 HE1 HIS 74 HE1 HIS 74 13.998 -2.941 28.094 Start of MODEL 14 1 H1 MET 1 H MET 1 0.927 -1.521 -3.806 2 HA MET 1 HA MET 1 2.949 -2.610 -5.227 3 HB2 MET 1 2HB MET 1 2.788 -0.568 -3.453 4 HB3 MET 1 3HB MET 1 3.790 -1.693 -2.546 5 HG2 MET 1 2HG MET 1 5.095 -1.811 -4.843 6 HG3 MET 1 3HG MET 1 4.375 -0.215 -5.045 7 HE1 MET 1 3HE MET 1 8.060 0.617 -4.011 8 HE2 MET 1 1HE MET 1 7.607 -0.839 -4.897 9 HE3 MET 1 2HE MET 1 6.836 0.700 -5.279 10 H GLY 2 H GLY 2 4.745 -3.989 -4.775 11 HA2 GLY 2 2HA GLY 2 4.682 -5.680 -2.432 12 HA3 GLY 2 3HA GLY 2 4.231 -6.502 -3.918 13 H THR 3 H THR 3 6.814 -4.967 -2.151 14 HA THR 3 HA THR 3 8.735 -6.211 -4.003 15 HB THR 3 HB THR 3 10.295 -4.274 -3.349 16 HG1 THR 3 HG1 THR 3 9.254 -3.139 -1.825 17 HG21 THR 3 3HG2 THR 3 9.650 -4.323 -5.585 18 HG22 THR 3 1HG2 THR 3 9.098 -2.735 -5.055 19 HG23 THR 3 2HG2 THR 3 7.948 -4.064 -5.203 20 H ILE 4 H ILE 4 10.578 -7.102 -3.087 21 HA ILE 4 HA ILE 4 10.386 -8.281 -0.602 22 HB ILE 4 HB ILE 4 12.929 -7.575 -2.071 23 HG12 ILE 4 2HG1 ILE 4 11.435 -8.898 -3.459 24 HG13 ILE 4 3HG1 ILE 4 12.776 -9.902 -2.918 25 HG21 ILE 4 1HG2 ILE 4 14.040 -8.473 -0.375 26 HG22 ILE 4 2HG2 ILE 4 12.526 -8.722 0.494 27 HG23 ILE 4 3HG2 ILE 4 13.143 -9.977 -0.580 28 HD11 ILE 4 3HD1 ILE 4 10.755 -10.203 -1.001 29 HD12 ILE 4 1HD1 ILE 4 9.966 -10.290 -2.576 30 HD13 ILE 4 2HD1 ILE 4 11.301 -11.379 -2.197 31 H ASP 5 H ASP 5 11.993 -5.249 -1.477 32 HA ASP 5 HA ASP 5 13.249 -4.654 0.910 33 HB2 ASP 5 2HB ASP 5 11.839 -2.620 -0.823 34 HB3 ASP 5 3HB ASP 5 13.234 -2.354 0.219 35 H ASP 6 H ASP 6 9.865 -4.497 0.099 36 HA ASP 6 HA ASP 6 8.983 -2.838 2.192 37 HB2 ASP 6 2HB ASP 6 7.761 -3.925 0.068 38 HB3 ASP 6 3HB ASP 6 7.222 -5.061 1.302 39 H ALA 7 H ALA 7 9.696 -6.269 2.043 40 HA ALA 7 HA ALA 7 8.503 -7.016 4.490 41 HB1 ALA 7 1HB ALA 7 10.707 -8.239 2.852 42 HB2 ALA 7 2HB ALA 7 10.111 -8.967 4.344 43 HB3 ALA 7 3HB ALA 7 9.022 -8.746 2.974 44 H PHE 8 H PHE 8 11.853 -6.136 3.675 45 HA PHE 8 HA PHE 8 12.867 -6.404 6.294 46 HB2 PHE 8 2HB PHE 8 13.962 -4.537 4.192 47 HB3 PHE 8 3HB PHE 8 14.841 -5.346 5.485 48 HD1 PHE 8 HD2 PHE 8 13.849 -8.099 5.244 49 HD2 PHE 8 HD1 PHE 8 14.946 -5.292 2.238 50 HE1 PHE 8 HE2 PHE 8 14.390 -9.951 3.718 51 HE2 PHE 8 HE1 PHE 8 15.488 -7.140 0.706 52 HZ PHE 8 HZ PHE 8 15.211 -9.473 1.445 53 H ARG 9 H ARG 9 11.273 -3.784 4.616 54 HA ARG 9 HA ARG 9 11.906 -1.803 6.599 55 HB2 ARG 9 2HB ARG 9 10.077 -1.875 4.213 56 HB3 ARG 9 3HB ARG 9 10.051 -0.525 5.339 57 HG2 ARG 9 2HG ARG 9 12.493 -0.225 4.916 58 HG3 ARG 9 3HG ARG 9 12.362 -1.448 3.651 59 HD2 ARG 9 2HD ARG 9 11.879 0.244 2.277 60 HD3 ARG 9 3HD ARG 9 10.300 0.271 3.062 61 HE ARG 9 HE ARG 9 11.927 1.829 4.635 62 HH11 ARG 9 2HH1 ARG 9 10.894 1.832 1.310 63 HH12 ARG 9 1HH1 ARG 9 10.989 3.554 1.146 64 HH21 ARG 9 2HH2 ARG 9 12.056 4.097 4.431 65 HH22 ARG 9 1HH2 ARG 9 11.651 4.841 2.921 66 H ALA 10 H ALA 10 9.265 -4.012 5.955 67 HA ALA 10 HA ALA 10 7.463 -2.830 7.845 68 HB1 ALA 10 1HB ALA 10 6.888 -4.284 5.807 69 HB2 ALA 10 2HB ALA 10 7.265 -5.652 6.854 70 HB3 ALA 10 3HB ALA 10 5.973 -4.535 7.294 71 H ILE 11 H ILE 11 10.012 -5.177 7.976 72 HA ILE 11 HA ILE 11 9.372 -6.691 10.184 73 HB ILE 11 HB ILE 11 11.494 -6.726 8.674 74 HG12 ILE 11 2HG1 ILE 11 12.778 -7.800 10.660 75 HG13 ILE 11 3HG1 ILE 11 11.330 -7.435 11.592 76 HG21 ILE 11 1HG2 ILE 11 13.395 -5.601 9.401 77 HG22 ILE 11 2HG2 ILE 11 12.120 -4.396 9.578 78 HG23 ILE 11 3HG2 ILE 11 12.710 -5.270 10.992 79 HD11 ILE 11 3HD1 ILE 11 10.184 -8.665 9.534 80 HD12 ILE 11 1HD1 ILE 11 11.767 -9.437 9.466 81 HD13 ILE 11 2HD1 ILE 11 10.803 -9.531 10.940 82 H GLU 12 H GLU 12 10.321 -3.346 10.039 83 HA GLU 12 HA GLU 12 11.172 -2.916 12.653 84 HB2 GLU 12 2HB GLU 12 10.892 -1.331 10.501 85 HB3 GLU 12 3HB GLU 12 9.479 -0.819 11.413 86 HG2 GLU 12 2HG GLU 12 10.983 -0.405 13.361 87 HG3 GLU 12 3HG GLU 12 12.351 -0.725 12.296 88 H ARG 13 H ARG 13 7.943 -3.254 11.343 89 HA ARG 13 HA ARG 13 6.539 -2.295 13.612 90 HB2 ARG 13 2HB ARG 13 5.844 -3.045 11.063 91 HB3 ARG 13 3HB ARG 13 5.177 -4.355 12.028 92 HG2 ARG 13 2HG ARG 13 3.401 -3.006 12.202 93 HG3 ARG 13 3HG ARG 13 4.355 -2.206 13.453 94 HD2 ARG 13 2HD ARG 13 5.257 -1.048 11.117 95 HD3 ARG 13 3HD ARG 13 3.529 -1.250 10.831 96 HE ARG 13 HE ARG 13 3.928 -0.139 13.384 97 HH11 ARG 13 2HH1 ARG 13 4.197 0.687 10.013 98 HH12 ARG 13 1HH1 ARG 13 3.912 2.376 10.270 99 HH21 ARG 13 2HH2 ARG 13 3.552 2.083 13.735 100 HH22 ARG 13 1HH2 ARG 13 3.546 3.169 12.388 101 H ALA 14 H ALA 14 7.955 -5.363 12.775 102 HA ALA 14 HA ALA 14 6.554 -6.927 14.702 103 HB1 ALA 14 1HB ALA 14 8.060 -7.557 12.574 104 HB2 ALA 14 2HB ALA 14 9.245 -7.800 13.858 105 HB3 ALA 14 3HB ALA 14 7.719 -8.684 13.887 106 H ILE 15 H ILE 15 9.784 -5.440 14.645 107 HA ILE 15 HA ILE 15 10.485 -6.293 17.265 108 HB ILE 15 HB ILE 15 12.180 -5.684 15.590 109 HG12 ILE 15 2HG1 ILE 15 12.867 -3.646 17.533 110 HG13 ILE 15 3HG1 ILE 15 12.166 -5.056 18.318 111 HG21 ILE 15 1HG2 ILE 15 11.217 -2.858 16.016 112 HG22 ILE 15 2HG2 ILE 15 12.612 -3.346 15.054 113 HG23 ILE 15 3HG2 ILE 15 10.988 -3.818 14.554 114 HD11 ILE 15 3HD1 ILE 15 13.828 -6.429 16.976 115 HD12 ILE 15 1HD1 ILE 15 14.629 -4.898 16.620 116 HD13 ILE 15 2HD1 ILE 15 14.469 -5.442 18.290 117 H GLN 16 H GLN 16 8.915 -3.444 15.958 118 HA GLN 16 HA GLN 16 9.126 -1.721 18.132 119 HB2 GLN 16 2HB GLN 16 7.191 -2.034 15.887 120 HB3 GLN 16 3HB GLN 16 6.744 -0.979 17.221 121 HG2 GLN 16 2HG GLN 16 9.317 -0.723 15.688 122 HG3 GLN 16 3HG GLN 16 7.841 0.151 15.281 123 HE21 GLN 16 1HE2 GLN 16 10.633 0.099 17.178 124 HE22 GLN 16 2HE2 GLN 16 10.276 1.461 18.180 125 H ALA 17 H ALA 17 7.217 -4.573 17.718 126 HA ALA 17 HA ALA 17 5.116 -4.192 19.465 127 HB1 ALA 17 1HB ALA 17 4.736 -6.390 19.209 128 HB2 ALA 17 2HB ALA 17 6.038 -6.294 18.023 129 HB3 ALA 17 3HB ALA 17 6.381 -6.833 19.666 130 H GLU 18 H GLU 18 8.359 -5.449 20.248 131 HA GLU 18 HA GLU 18 9.531 -5.529 22.195 132 HB2 GLU 18 2HB GLU 18 7.644 -3.346 23.095 133 HB3 GLU 18 3HB GLU 18 9.201 -3.740 23.812 134 HG2 GLU 18 2HG GLU 18 9.787 -3.295 21.147 135 HG3 GLU 18 3HG GLU 18 8.576 -2.074 21.532 136 H ASN 19 H ASN 19 7.963 -7.589 22.087 137 HA ASN 19 HA ASN 19 6.932 -9.204 23.311 138 HB2 ASN 19 2HB ASN 19 8.679 -8.322 25.009 139 HB3 ASN 19 3HB ASN 19 7.307 -7.535 25.785 140 HD21 ASN 19 1HD2 ASN 19 8.499 -10.663 24.674 141 HD22 ASN 19 2HD2 ASN 19 7.678 -11.601 25.871 142 H GLU 20 H GLU 20 4.872 -9.043 22.526 143 HA GLU 20 HA GLU 20 2.892 -7.981 24.330 144 HB2 GLU 20 2HB GLU 20 3.464 -6.700 21.687 145 HB3 GLU 20 3HB GLU 20 1.806 -6.763 22.268 146 HG2 GLU 20 2HG GLU 20 2.864 -5.775 24.452 147 HG3 GLU 20 3HG GLU 20 4.138 -5.266 23.345 148 H GLY 21 H GLY 21 3.448 -9.232 21.043 149 HA2 GLY 21 2HA GLY 21 2.471 -11.631 20.958 150 HA3 GLY 21 3HA GLY 21 0.962 -10.786 21.271 151 H ARG 22 H ARG 22 2.104 -8.494 19.591 152 HA ARG 22 HA ARG 22 0.896 -9.327 17.135 153 HB2 ARG 22 2HB ARG 22 1.932 -6.827 18.287 154 HB3 ARG 22 3HB ARG 22 2.118 -6.954 16.543 155 HG2 ARG 22 2HG ARG 22 0.046 -5.831 17.127 156 HG3 ARG 22 3HG ARG 22 -0.274 -7.362 16.309 157 HD2 ARG 22 2HD ARG 22 -0.873 -8.425 18.340 158 HD3 ARG 22 3HD ARG 22 -0.244 -7.089 19.304 159 HE ARG 22 HE ARG 22 -2.232 -6.001 19.016 160 HH11 ARG 22 2HH1 ARG 22 -1.971 -8.524 16.631 161 HH12 ARG 22 1HH1 ARG 22 -3.590 -8.322 16.050 162 HH21 ARG 22 2HH2 ARG 22 -4.366 -5.725 18.259 163 HH22 ARG 22 1HH2 ARG 22 -4.952 -6.729 16.976 164 H TYR 23 H TYR 23 4.129 -9.167 18.365 165 HA TYR 23 HA TYR 23 5.656 -8.969 16.075 166 HB2 TYR 23 2HB TYR 23 7.415 -10.094 17.286 167 HB3 TYR 23 3HB TYR 23 6.538 -9.057 18.405 168 HD1 TYR 23 HD2 TYR 23 4.809 -10.128 19.929 169 HD2 TYR 23 HD1 TYR 23 7.639 -12.395 17.703 170 HE1 TYR 23 HE2 TYR 23 4.441 -12.045 21.425 171 HE2 TYR 23 HE1 TYR 23 7.278 -14.319 19.192 172 HH TYR 23 HH TYR 23 4.998 -14.972 20.833 173 H ARG 24 H ARG 24 3.812 -11.687 17.271 174 HA ARG 24 HA ARG 24 4.959 -13.683 15.630 175 HB2 ARG 24 2HB ARG 24 3.628 -14.244 17.595 176 HB3 ARG 24 3HB ARG 24 2.204 -13.519 16.862 177 HG2 ARG 24 2HG ARG 24 3.415 -15.559 15.182 178 HG3 ARG 24 3HG ARG 24 2.912 -16.171 16.759 179 HD2 ARG 24 2HD ARG 24 0.916 -16.400 15.734 180 HD3 ARG 24 3HD ARG 24 0.759 -14.687 16.119 181 HE ARG 24 HE ARG 24 2.025 -14.862 13.654 182 HH11 ARG 24 2HH1 ARG 24 -1.049 -15.692 15.060 183 HH12 ARG 24 1HH1 ARG 24 -1.927 -15.496 13.579 184 HH21 ARG 24 2HH2 ARG 24 0.881 -14.601 11.698 185 HH22 ARG 24 1HH2 ARG 24 -0.828 -14.876 11.667 186 H GLU 25 H GLU 25 2.069 -11.652 15.240 187 HA GLU 25 HA GLU 25 1.440 -12.718 12.660 188 HB2 GLU 25 2HB GLU 25 0.445 -10.322 14.195 189 HB3 GLU 25 3HB GLU 25 -0.128 -10.713 12.580 190 HG2 GLU 25 2HG GLU 25 -1.045 -12.782 13.324 191 HG3 GLU 25 3HG GLU 25 -0.290 -12.608 14.908 192 H ALA 26 H ALA 26 3.438 -10.158 13.854 193 HA ALA 26 HA ALA 26 3.572 -8.578 11.512 194 HB1 ALA 26 1HB ALA 26 5.512 -8.893 13.796 195 HB2 ALA 26 2HB ALA 26 5.661 -7.681 12.523 196 HB3 ALA 26 3HB ALA 26 4.272 -7.653 13.609 197 H LEU 27 H LEU 27 5.482 -11.317 12.676 198 HA LEU 27 HA LEU 27 7.456 -11.234 10.662 199 HB2 LEU 27 2HB LEU 27 6.474 -13.308 12.571 200 HB3 LEU 27 3HB LEU 27 7.580 -13.774 11.280 201 HG LEU 27 HG LEU 27 8.139 -11.721 13.420 202 HD11 LEU 27 1HD1 LEU 27 9.908 -13.960 13.410 203 HD12 LEU 27 2HD1 LEU 27 8.244 -14.535 13.513 204 HD13 LEU 27 3HD1 LEU 27 8.852 -13.381 14.700 205 HD21 LEU 27 3HD2 LEU 27 10.471 -11.909 12.516 206 HD22 LEU 27 1HD2 LEU 27 9.319 -11.110 11.446 207 HD23 LEU 27 2HD2 LEU 27 9.796 -12.780 11.138 208 H LYS 28 H LYS 28 4.225 -12.519 10.755 209 HA LYS 28 HA LYS 28 4.263 -14.378 8.714 210 HB2 LYS 28 2HB LYS 28 2.301 -13.012 10.199 211 HB3 LYS 28 3HB LYS 28 1.895 -12.742 8.509 212 HG2 LYS 28 2HG LYS 28 0.760 -14.703 9.381 213 HG3 LYS 28 3HG LYS 28 1.904 -15.148 8.112 214 HD2 LYS 28 2HD LYS 28 3.270 -15.217 10.605 215 HD3 LYS 28 3HD LYS 28 1.755 -16.107 10.783 216 HE2 LYS 28 2HE LYS 28 2.413 -17.230 8.558 217 HE3 LYS 28 3HE LYS 28 4.028 -16.605 8.890 218 HZ1 LYS 28 3HZ LYS 28 2.457 -18.438 10.619 219 HZ2 LYS 28 1HZ LYS 28 3.955 -17.771 11.037 220 HZ3 LYS 28 2HZ LYS 28 3.838 -18.832 9.725 221 H HIS 29 H HIS 29 3.866 -10.859 8.467 222 HA HIS 29 HA HIS 29 3.492 -10.728 5.693 223 HB2 HIS 29 2HB HIS 29 3.893 -8.883 7.852 224 HB3 HIS 29 3HB HIS 29 4.913 -8.412 6.495 225 HD1 HIS 29 HD1 HIS 29 3.800 -6.970 4.829 226 HD2 HIS 29 HD2 HIS 29 1.068 -9.288 6.933 227 HE1 HIS 29 HE1 HIS 29 1.534 -6.250 4.008 228 H PHE 30 H PHE 30 6.343 -11.206 7.601 229 HA PHE 30 HA PHE 30 8.202 -10.489 5.534 230 HB2 PHE 30 2HB PHE 30 8.567 -10.528 8.111 231 HB3 PHE 30 3HB PHE 30 8.887 -12.243 7.874 232 HD1 PHE 30 HD2 PHE 30 10.080 -8.845 7.262 233 HD2 PHE 30 HD1 PHE 30 10.863 -12.992 6.705 234 HE1 PHE 30 HE2 PHE 30 12.403 -8.320 6.644 235 HE2 PHE 30 HE1 PHE 30 13.188 -12.473 6.088 236 HZ PHE 30 HZ PHE 30 13.960 -10.135 6.056 237 H LEU 31 H LEU 31 6.867 -13.501 6.818 238 HA LEU 31 HA LEU 31 8.440 -15.282 5.328 239 HB2 LEU 31 2HB LEU 31 6.075 -15.396 6.986 240 HB3 LEU 31 3HB LEU 31 5.944 -16.487 5.608 241 HG LEU 31 HG LEU 31 8.187 -17.431 6.316 242 HD11 LEU 31 1HD1 LEU 31 8.792 -15.500 7.759 243 HD12 LEU 31 2HD1 LEU 31 8.925 -17.064 8.564 244 HD13 LEU 31 3HD1 LEU 31 7.546 -16.016 8.897 245 HD21 LEU 31 3HD2 LEU 31 5.773 -17.698 8.100 246 HD22 LEU 31 1HD2 LEU 31 7.168 -18.775 8.152 247 HD23 LEU 31 2HD2 LEU 31 6.182 -18.680 6.693 248 H ASP 32 H ASP 32 5.591 -13.442 4.503 249 HA ASP 32 HA ASP 32 4.949 -14.873 2.126 250 HB2 ASP 32 2HB ASP 32 3.899 -12.640 3.588 251 HB3 ASP 32 3HB ASP 32 4.046 -12.199 1.889 252 H GLY 33 H GLY 33 7.168 -12.312 2.907 253 HA2 GLY 33 2HA GLY 33 7.580 -11.464 0.190 254 HA3 GLY 33 3HA GLY 33 8.545 -11.005 1.586 255 H GLY 34 H GLY 34 9.388 -13.489 2.485 256 HA2 GLY 34 2HA GLY 34 11.648 -13.953 0.926 257 HA3 GLY 34 3HA GLY 34 11.021 -15.063 2.136 258 H GLU 35 H GLU 35 8.453 -15.341 0.686 259 HA GLU 35 HA GLU 35 9.259 -17.510 -1.017 260 HB2 GLU 35 2HB GLU 35 6.523 -16.365 -0.427 261 HB3 GLU 35 3HB GLU 35 6.820 -17.842 -1.333 262 HG2 GLU 35 2HG GLU 35 8.108 -17.775 1.289 263 HG3 GLU 35 3HG GLU 35 6.348 -17.702 1.342 264 H MET 36 H MET 36 8.612 -14.197 -1.456 265 HA MET 36 HA MET 36 7.653 -14.298 -4.140 266 HB2 MET 36 2HB MET 36 8.990 -12.035 -2.646 267 HB3 MET 36 3HB MET 36 8.129 -11.883 -4.172 268 HG2 MET 36 2HG MET 36 6.636 -13.104 -1.941 269 HG3 MET 36 3HG MET 36 7.022 -11.392 -1.789 270 HE1 MET 36 3HE MET 36 5.460 -9.685 -2.484 271 HE2 MET 36 1HE MET 36 3.913 -10.060 -3.242 272 HE3 MET 36 2HE MET 36 4.361 -10.837 -1.724 273 H ILE 37 H ILE 37 10.835 -13.922 -2.657 274 HA ILE 37 HA ILE 37 12.168 -13.544 -5.180 275 HB ILE 37 HB ILE 37 12.955 -12.655 -2.916 276 HG12 ILE 37 2HG1 ILE 37 15.098 -14.186 -4.370 277 HG13 ILE 37 3HG1 ILE 37 14.260 -12.844 -5.144 278 HG21 ILE 37 1HG2 ILE 37 12.756 -15.155 -2.042 279 HG22 ILE 37 2HG2 ILE 37 14.440 -15.196 -2.563 280 HG23 ILE 37 3HG2 ILE 37 13.917 -14.012 -1.365 281 HD11 ILE 37 3HD1 ILE 37 15.183 -11.283 -3.731 282 HD12 ILE 37 1HD1 ILE 37 15.504 -12.464 -2.462 283 HD13 ILE 37 2HD1 ILE 37 16.503 -12.438 -3.915 284 H VAL 38 H VAL 38 11.309 -16.220 -3.154 285 HA VAL 38 HA VAL 38 13.189 -18.089 -4.206 286 HB VAL 38 HB VAL 38 10.566 -18.556 -2.782 287 HG11 VAL 38 1HG1 VAL 38 10.819 -20.643 -3.579 288 HG12 VAL 38 2HG1 VAL 38 12.518 -20.394 -3.983 289 HG13 VAL 38 3HG1 VAL 38 12.051 -20.776 -2.325 290 HG21 VAL 38 3HG2 VAL 38 11.677 -18.461 -0.808 291 HG22 VAL 38 1HG2 VAL 38 13.176 -19.085 -1.497 292 HG23 VAL 38 2HG2 VAL 38 12.736 -17.393 -1.729 293 H THR 39 H THR 39 9.716 -17.554 -4.784 294 HA THR 39 HA THR 39 9.255 -19.516 -6.664 295 HB THR 39 HB THR 39 7.431 -18.188 -5.793 296 HG1 THR 39 HG1 THR 39 6.378 -18.469 -7.609 297 HG21 THR 39 3HG2 THR 39 8.457 -16.034 -5.553 298 HG22 THR 39 1HG2 THR 39 7.081 -15.858 -6.640 299 HG23 THR 39 2HG2 THR 39 8.719 -15.908 -7.292 300 H ALA 40 H ALA 40 10.923 -16.474 -7.038 301 HA ALA 40 HA ALA 40 10.909 -16.465 -9.897 302 HB1 ALA 40 1HB ALA 40 12.082 -14.829 -7.756 303 HB2 ALA 40 2HB ALA 40 13.002 -14.874 -9.260 304 HB3 ALA 40 3HB ALA 40 11.320 -14.345 -9.271 305 H ALA 41 H ALA 41 13.281 -17.396 -7.425 306 HA ALA 41 HA ALA 41 15.306 -18.139 -9.275 307 HB1 ALA 41 1HB ALA 41 14.931 -18.180 -6.391 308 HB2 ALA 41 2HB ALA 41 15.838 -19.571 -6.985 309 HB3 ALA 41 3HB ALA 41 16.398 -17.937 -7.340 310 H GLU 42 H GLU 42 12.593 -19.806 -7.838 311 HA GLU 42 HA GLU 42 13.465 -22.433 -8.586 312 HB2 GLU 42 2HB GLU 42 10.785 -21.369 -7.687 313 HB3 GLU 42 3HB GLU 42 11.101 -23.068 -8.009 314 HG2 GLU 42 2HG GLU 42 13.111 -22.116 -6.249 315 HG3 GLU 42 3HG GLU 42 11.542 -21.607 -5.628 316 H LYS 43 H LYS 43 11.454 -19.940 -10.005 317 HA LYS 43 HA LYS 43 10.580 -21.662 -12.168 318 HB2 LYS 43 2HB LYS 43 9.259 -19.717 -11.046 319 HB3 LYS 43 3HB LYS 43 10.205 -18.685 -12.111 320 HG2 LYS 43 2HG LYS 43 9.223 -20.710 -13.754 321 HG3 LYS 43 3HG LYS 43 7.882 -20.282 -12.689 322 HD2 LYS 43 2HD LYS 43 8.722 -17.823 -13.312 323 HD3 LYS 43 3HD LYS 43 9.256 -18.673 -14.765 324 HE2 LYS 43 2HE LYS 43 7.077 -19.324 -15.320 325 HE3 LYS 43 3HE LYS 43 6.470 -18.993 -13.698 326 HZ1 LYS 43 3HZ LYS 43 5.746 -17.118 -14.670 327 HZ2 LYS 43 1HZ LYS 43 6.874 -17.184 -15.929 328 HZ3 LYS 43 2HZ LYS 43 7.329 -16.578 -14.417 329 H GLU 44 H GLU 44 13.099 -19.391 -11.518 330 HA GLU 44 HA GLU 44 13.737 -18.973 -14.314 331 HB2 GLU 44 2HB GLU 44 14.944 -18.030 -11.726 332 HB3 GLU 44 3HB GLU 44 15.775 -17.795 -13.257 333 HG2 GLU 44 2HG GLU 44 13.011 -16.791 -12.620 334 HG3 GLU 44 3HG GLU 44 14.486 -15.828 -12.550 335 H ALA 45 H ALA 45 16.351 -19.093 -14.597 336 HA ALA 45 HA ALA 45 17.724 -21.250 -13.447 337 HB1 ALA 45 1HB ALA 45 16.222 -22.769 -14.424 338 HB2 ALA 45 2HB ALA 45 16.197 -21.891 -15.953 339 HB3 ALA 45 3HB ALA 45 17.639 -22.785 -15.475 340 H SER 46 H SER 46 19.816 -21.507 -14.290 341 HA SER 46 HA SER 46 21.738 -20.858 -15.319 342 HB2 SER 46 2HB SER 46 19.978 -21.242 -17.361 343 HB3 SER 46 3HB SER 46 20.426 -19.556 -17.622 344 HG SER 46 HG SER 46 22.100 -20.413 -18.568 345 H GLN 47 H GLN 47 20.209 -19.034 -13.572 346 HA GLN 47 HA GLN 47 21.136 -16.439 -14.601 347 HB2 GLN 47 2HB GLN 47 18.663 -17.001 -13.754 348 HB3 GLN 47 3HB GLN 47 19.384 -16.590 -12.204 349 HG2 GLN 47 2HG GLN 47 18.441 -14.603 -12.994 350 HG3 GLN 47 3HG GLN 47 20.170 -14.446 -13.298 351 HE21 GLN 47 1HE2 GLN 47 17.118 -14.190 -14.614 352 HE22 GLN 47 2HE2 GLN 47 17.552 -14.123 -16.284 353 H LYS 48 H LYS 48 22.562 -15.213 -13.459 354 HA LYS 48 HA LYS 48 24.185 -16.550 -11.518 355 HB2 LYS 48 2HB LYS 48 24.225 -13.678 -12.467 356 HB3 LYS 48 3HB LYS 48 25.465 -14.434 -11.476 357 HG2 LYS 48 2HG LYS 48 24.882 -15.894 -13.935 358 HG3 LYS 48 3HG LYS 48 25.494 -14.260 -14.199 359 HD2 LYS 48 2HD LYS 48 27.280 -14.920 -12.434 360 HD3 LYS 48 3HD LYS 48 26.802 -16.574 -12.821 361 HE2 LYS 48 2HE LYS 48 27.256 -14.909 -15.176 362 HE3 LYS 48 3HE LYS 48 28.686 -15.090 -14.159 363 HZ1 LYS 48 3HZ LYS 48 28.851 -17.276 -14.625 364 HZ2 LYS 48 1HZ LYS 48 28.009 -16.838 -16.025 365 HZ3 LYS 48 2HZ LYS 48 27.179 -17.515 -14.717 366 H VAL 49 H VAL 49 21.667 -14.115 -11.428 367 HA VAL 49 HA VAL 49 22.096 -13.420 -8.674 368 HB VAL 49 HB VAL 49 19.959 -12.201 -8.861 369 HG11 VAL 49 1HG1 VAL 49 22.327 -11.770 -10.445 370 HG12 VAL 49 2HG1 VAL 49 20.909 -11.072 -11.229 371 HG13 VAL 49 3HG1 VAL 49 21.327 -10.603 -9.581 372 HG21 VAL 49 3HG2 VAL 49 19.885 -13.399 -11.629 373 HG22 VAL 49 1HG2 VAL 49 18.741 -13.688 -10.318 374 HG23 VAL 49 2HG2 VAL 49 18.839 -12.094 -11.068 375 H ARG 50 H ARG 50 19.983 -15.603 -10.449 376 HA ARG 50 HA ARG 50 18.066 -16.271 -8.646 377 HB2 ARG 50 2HB ARG 50 18.138 -17.315 -10.815 378 HB3 ARG 50 3HB ARG 50 19.655 -18.118 -10.430 379 HG2 ARG 50 2HG ARG 50 17.778 -18.864 -8.452 380 HG3 ARG 50 3HG ARG 50 16.998 -19.035 -10.026 381 HD2 ARG 50 2HD ARG 50 18.014 -21.043 -10.036 382 HD3 ARG 50 3HD ARG 50 19.421 -20.112 -10.550 383 HE ARG 50 HE ARG 50 19.604 -20.038 -7.860 384 HH11 ARG 50 2HH1 ARG 50 19.169 -22.635 -10.137 385 HH12 ARG 50 1HH1 ARG 50 19.987 -23.806 -9.157 386 HH21 ARG 50 2HH2 ARG 50 20.684 -21.570 -6.560 387 HH22 ARG 50 1HH2 ARG 50 20.848 -23.200 -7.122 388 H ASN 51 H ASN 51 21.424 -17.385 -8.634 389 HA ASN 51 HA ASN 51 21.212 -19.220 -6.525 390 HB2 ASN 51 2HB ASN 51 23.170 -19.170 -7.962 391 HB3 ASN 51 3HB ASN 51 23.572 -17.546 -7.411 392 HD21 ASN 51 1HD2 ASN 51 24.379 -17.257 -5.319 393 HD22 ASN 51 2HD2 ASN 51 25.061 -18.568 -4.423 394 H LEU 52 H LEU 52 22.097 -15.777 -6.501 395 HA LEU 52 HA LEU 52 22.421 -15.631 -3.682 396 HB2 LEU 52 2HB LEU 52 23.415 -14.061 -5.352 397 HB3 LEU 52 3HB LEU 52 21.807 -13.380 -5.587 398 HG LEU 52 HG LEU 52 23.398 -12.100 -4.076 399 HD11 LEU 52 1HD1 LEU 52 21.605 -11.154 -3.115 400 HD12 LEU 52 2HD1 LEU 52 21.045 -12.675 -2.420 401 HD13 LEU 52 3HD1 LEU 52 20.694 -12.294 -4.106 402 HD21 LEU 52 3HD2 LEU 52 24.090 -12.922 -2.093 403 HD22 LEU 52 1HD2 LEU 52 23.859 -14.475 -2.897 404 HD23 LEU 52 2HD2 LEU 52 22.605 -13.839 -1.831 405 H LEU 53 H LEU 53 19.713 -15.204 -5.853 406 HA LEU 53 HA LEU 53 17.940 -13.845 -4.196 407 HB2 LEU 53 2HB LEU 53 17.662 -15.723 -6.481 408 HB3 LEU 53 3HB LEU 53 16.223 -15.369 -5.526 409 HG LEU 53 HG LEU 53 16.051 -13.247 -6.318 410 HD11 LEU 53 1HD1 LEU 53 18.057 -11.971 -7.199 411 HD12 LEU 53 2HD1 LEU 53 19.047 -13.270 -6.535 412 HD13 LEU 53 3HD1 LEU 53 18.031 -12.303 -5.467 413 HD21 LEU 53 3HD2 LEU 53 16.379 -13.212 -8.648 414 HD22 LEU 53 1HD2 LEU 53 16.144 -14.911 -8.236 415 HD23 LEU 53 2HD2 LEU 53 17.767 -14.296 -8.552 416 H LEU 54 H LEU 54 18.639 -17.304 -4.419 417 HA LEU 54 HA LEU 54 16.650 -18.069 -2.517 418 HB2 LEU 54 2HB LEU 54 19.051 -19.498 -3.637 419 HB3 LEU 54 3HB LEU 54 17.920 -20.241 -2.507 420 HG LEU 54 HG LEU 54 16.812 -19.083 -5.010 421 HD11 LEU 54 1HD1 LEU 54 18.349 -21.673 -4.901 422 HD12 LEU 54 2HD1 LEU 54 18.756 -20.245 -5.852 423 HD13 LEU 54 3HD1 LEU 54 17.300 -21.167 -6.225 424 HD21 LEU 54 3HD2 LEU 54 15.916 -20.693 -2.885 425 HD22 LEU 54 1HD2 LEU 54 15.955 -21.724 -4.316 426 HD23 LEU 54 2HD2 LEU 54 15.031 -20.221 -4.337 427 H HIS 55 H HIS 55 20.199 -17.808 -2.369 428 HA HIS 55 HA HIS 55 20.582 -18.518 0.273 429 HB2 HIS 55 2HB HIS 55 22.369 -18.049 -1.438 430 HB3 HIS 55 3HB HIS 55 22.108 -16.332 -1.151 431 HD1 HIS 55 HD1 HIS 55 24.374 -18.828 -0.246 432 HD2 HIS 55 HD2 HIS 55 22.337 -15.923 1.917 433 HE1 HIS 55 HE1 HIS 55 25.681 -18.534 1.882 434 H LYS 56 H LYS 56 19.817 -15.321 -1.058 435 HA LYS 56 HA LYS 56 19.798 -14.045 1.508 436 HB2 LYS 56 2HB LYS 56 19.355 -13.260 -1.292 437 HB3 LYS 56 3HB LYS 56 18.395 -12.360 -0.125 438 HG2 LYS 56 2HG LYS 56 21.383 -12.679 0.035 439 HG3 LYS 56 3HG LYS 56 20.564 -11.299 -0.701 440 HD2 LYS 56 2HD LYS 56 19.859 -10.470 1.309 441 HD3 LYS 56 3HD LYS 56 19.786 -12.065 2.064 442 HE2 LYS 56 2HE LYS 56 22.373 -12.008 1.803 443 HE3 LYS 56 3HE LYS 56 22.141 -10.267 1.645 444 HZ1 LYS 56 3HZ LYS 56 22.234 -11.778 3.985 445 HZ2 LYS 56 1HZ LYS 56 20.654 -11.189 3.841 446 HZ3 LYS 56 2HZ LYS 56 21.961 -10.116 3.831 447 H GLY 57 H GLY 57 17.534 -15.851 -0.342 448 HA2 GLY 57 2HA GLY 57 15.140 -14.737 0.724 449 HA3 GLY 57 3HA GLY 57 15.292 -16.296 -0.074 450 H LYS 58 H LYS 58 16.858 -17.770 1.478 451 HA LYS 58 HA LYS 58 15.192 -18.286 3.757 452 HB2 LYS 58 2HB LYS 58 16.385 -20.286 4.003 453 HB3 LYS 58 3HB LYS 58 16.392 -20.005 2.267 454 HG2 LYS 58 2HG LYS 58 18.674 -18.905 3.782 455 HG3 LYS 58 3HG LYS 58 18.575 -20.664 3.662 456 HD2 LYS 58 2HD LYS 58 18.043 -19.912 1.099 457 HD3 LYS 58 3HD LYS 58 19.179 -18.659 1.604 458 HE2 LYS 58 2HE LYS 58 20.911 -20.099 1.728 459 HE3 LYS 58 3HE LYS 58 19.912 -21.409 2.355 460 HZ1 LYS 58 3HZ LYS 58 20.802 -20.981 -0.285 461 HZ2 LYS 58 1HZ LYS 58 19.110 -20.962 -0.264 462 HZ3 LYS 58 2HZ LYS 58 19.948 -22.299 0.344 463 H GLU 59 H GLU 59 18.040 -16.481 3.180 464 HA GLU 59 HA GLU 59 19.118 -16.630 5.828 465 HB2 GLU 59 2HB GLU 59 20.580 -16.105 3.971 466 HB3 GLU 59 3HB GLU 59 19.618 -14.690 3.567 467 HG2 GLU 59 2HG GLU 59 21.661 -14.055 4.702 468 HG3 GLU 59 3HG GLU 59 20.250 -13.645 5.675 469 H VAL 60 H VAL 60 17.596 -13.938 4.044 470 HA VAL 60 HA VAL 60 17.320 -12.167 6.142 471 HB VAL 60 HB VAL 60 15.508 -11.113 4.896 472 HG11 VAL 60 1HG1 VAL 60 18.061 -11.875 3.731 473 HG12 VAL 60 2HG1 VAL 60 16.851 -11.467 2.514 474 HG13 VAL 60 3HG1 VAL 60 17.260 -10.304 3.775 475 HG21 VAL 60 3HG2 VAL 60 15.457 -13.741 3.457 476 HG22 VAL 60 1HG2 VAL 60 14.121 -12.825 4.156 477 HG23 VAL 60 2HG2 VAL 60 14.889 -12.269 2.669 478 H LEU 61 H LEU 61 15.407 -14.986 5.377 479 HA LEU 61 HA LEU 61 13.190 -14.380 7.044 480 HB2 LEU 61 2HB LEU 61 14.249 -16.973 5.944 481 HB3 LEU 61 3HB LEU 61 12.765 -16.857 6.887 482 HG LEU 61 HG LEU 61 13.142 -15.291 4.353 483 HD11 LEU 61 1HD1 LEU 61 12.789 -17.056 3.043 484 HD12 LEU 61 2HD1 LEU 61 11.535 -17.697 4.104 485 HD13 LEU 61 3HD1 LEU 61 13.232 -18.045 4.435 486 HD21 LEU 61 3HD2 LEU 61 10.561 -15.769 4.451 487 HD22 LEU 61 1HD2 LEU 61 11.277 -14.463 5.397 488 HD23 LEU 61 2HD2 LEU 61 10.889 -16.001 6.169 489 H GLU 62 H GLU 62 15.991 -16.536 7.507 490 HA GLU 62 HA GLU 62 15.356 -17.175 10.193 491 HB2 GLU 62 2HB GLU 62 17.614 -18.113 10.302 492 HB3 GLU 62 3HB GLU 62 16.796 -18.602 8.825 493 HG2 GLU 62 2HG GLU 62 18.060 -17.066 7.522 494 HG3 GLU 62 3HG GLU 62 18.735 -16.311 8.964 495 H TRP 63 H TRP 63 17.170 -14.598 8.692 496 HA TRP 63 HA TRP 63 18.421 -13.697 11.107 497 HB2 TRP 63 2HB TRP 63 19.212 -13.294 8.698 498 HB3 TRP 63 3HB TRP 63 17.989 -12.028 8.635 499 HD1 TRP 63 HD1 TRP 63 18.569 -9.739 9.736 500 HE1 TRP 63 HE1 TRP 63 20.648 -8.800 10.928 501 HE3 TRP 63 HE3 TRP 63 21.208 -14.081 10.309 502 HZ2 TRP 63 HZ2 TRP 63 23.084 -9.770 11.972 503 HZ3 TRP 63 HZ3 TRP 63 23.404 -13.988 11.414 504 HH2 TRP 63 HH2 TRP 63 24.321 -11.877 12.228 505 H ALA 64 H ALA 64 15.528 -12.826 9.288 506 HA ALA 64 HA ALA 64 14.858 -10.501 10.721 507 HB1 ALA 64 1HB ALA 64 13.428 -12.366 8.919 508 HB2 ALA 64 2HB ALA 64 12.446 -11.317 9.942 509 HB3 ALA 64 3HB ALA 64 13.616 -10.615 8.825 510 H GLU 65 H GLU 65 14.421 -13.887 11.421 511 HA GLU 65 HA GLU 65 12.481 -13.504 13.494 512 HB2 GLU 65 2HB GLU 65 14.204 -15.838 12.679 513 HB3 GLU 65 3HB GLU 65 13.135 -15.905 14.073 514 HG2 GLU 65 2HG GLU 65 11.289 -15.199 12.441 515 HG3 GLU 65 3HG GLU 65 12.428 -15.659 11.177 516 H HIS 66 H HIS 66 15.910 -13.329 13.279 517 HA HIS 66 HA HIS 66 16.553 -13.874 15.984 518 HB2 HIS 66 2HB HIS 66 17.944 -13.071 13.605 519 HB3 HIS 66 3HB HIS 66 18.447 -12.047 14.946 520 HD1 HIS 66 HD1 HIS 66 20.047 -13.039 16.604 521 HD2 HIS 66 HD2 HIS 66 18.407 -15.890 14.066 522 HE1 HIS 66 HE1 HIS 66 21.311 -15.161 17.073 523 H LEU 67 H LEU 67 16.138 -10.806 14.222 524 HA LEU 67 HA LEU 67 16.430 -9.186 16.541 525 HB2 LEU 67 2HB LEU 67 15.942 -7.363 15.165 526 HB3 LEU 67 3HB LEU 67 16.771 -8.512 14.117 527 HG LEU 67 HG LEU 67 14.221 -9.189 13.602 528 HD11 LEU 67 1HD1 LEU 67 14.026 -6.213 13.867 529 HD12 LEU 67 2HD1 LEU 67 13.552 -7.278 15.190 530 HD13 LEU 67 3HD1 LEU 67 12.742 -7.397 13.628 531 HD21 LEU 67 3HD2 LEU 67 15.589 -8.773 11.791 532 HD22 LEU 67 1HD2 LEU 67 16.056 -7.176 12.374 533 HD23 LEU 67 2HD2 LEU 67 14.448 -7.431 11.696 534 H ALA 68 H ALA 68 13.711 -10.689 14.929 535 HA ALA 68 HA ALA 68 11.641 -9.244 16.182 536 HB1 ALA 68 1HB ALA 68 11.825 -11.865 14.778 537 HB2 ALA 68 2HB ALA 68 10.363 -11.481 15.688 538 HB3 ALA 68 3HB ALA 68 10.884 -10.430 14.370 539 H GLU 69 H GLU 69 13.519 -12.040 17.171 540 HA GLU 69 HA GLU 69 11.861 -12.586 19.466 541 HB2 GLU 69 2HB GLU 69 14.484 -13.686 18.478 542 HB3 GLU 69 3HB GLU 69 13.824 -14.137 20.044 543 HG2 GLU 69 2HG GLU 69 11.875 -14.391 17.913 544 HG3 GLU 69 3HG GLU 69 13.316 -15.367 17.633 545 H TRP 70 H TRP 70 14.550 -10.578 18.731 546 HA TRP 70 HA TRP 70 15.964 -10.333 21.044 547 HB2 TRP 70 2HB TRP 70 16.313 -9.027 18.922 548 HB3 TRP 70 3HB TRP 70 15.008 -7.960 19.435 549 HD1 TRP 70 HD1 TRP 70 18.551 -9.037 20.535 550 HE1 TRP 70 HE1 TRP 70 19.574 -7.126 21.923 551 HE3 TRP 70 HE3 TRP 70 14.495 -5.932 20.752 552 HZ2 TRP 70 HZ2 TRP 70 18.768 -4.632 22.972 553 HZ3 TRP 70 HZ3 TRP 70 14.704 -3.803 21.968 554 HH2 TRP 70 HH2 TRP 70 16.797 -3.169 23.054 555 H ILE 71 H ILE 71 12.738 -9.090 20.396 556 HA ILE 71 HA ILE 71 12.359 -7.373 22.512 557 HB ILE 71 HB ILE 71 9.954 -8.042 22.452 558 HG12 ILE 71 2HG1 ILE 71 11.038 -10.106 20.536 559 HG13 ILE 71 3HG1 ILE 71 10.072 -10.377 21.982 560 HG21 ILE 71 1HG2 ILE 71 11.124 -7.646 19.706 561 HG22 ILE 71 2HG2 ILE 71 9.537 -7.141 20.282 562 HG23 ILE 71 3HG2 ILE 71 10.991 -6.367 20.912 563 HD11 ILE 71 3HD1 ILE 71 9.233 -9.453 19.284 564 HD12 ILE 71 1HD1 ILE 71 8.514 -10.672 20.337 565 HD13 ILE 71 2HD1 ILE 71 8.297 -8.958 20.695 566 H LEU 72 H LEU 72 12.030 -10.904 22.497 567 HA LEU 72 HA LEU 72 11.247 -11.067 25.237 568 HB2 LEU 72 2HB LEU 72 12.437 -13.239 23.524 569 HB3 LEU 72 3HB LEU 72 11.477 -13.443 24.987 570 HG LEU 72 HG LEU 72 9.935 -11.974 23.093 571 HD11 LEU 72 1HD1 LEU 72 10.631 -14.632 21.947 572 HD12 LEU 72 2HD1 LEU 72 11.665 -13.250 21.589 573 HD13 LEU 72 3HD1 LEU 72 9.955 -13.204 21.162 574 HD21 LEU 72 3HD2 LEU 72 8.358 -13.718 23.451 575 HD22 LEU 72 1HD2 LEU 72 9.193 -13.452 24.982 576 HD23 LEU 72 2HD2 LEU 72 9.618 -14.837 23.975 577 H GLU 73 H GLU 73 14.298 -11.474 23.493 578 HA GLU 73 HA GLU 73 15.908 -12.442 25.514 579 HB2 GLU 73 2HB GLU 73 16.324 -11.597 22.953 580 HB3 GLU 73 3HB GLU 73 17.160 -10.348 23.866 581 HG2 GLU 73 2HG GLU 73 18.489 -12.055 24.994 582 HG3 GLU 73 3HG GLU 73 17.649 -13.310 24.086 583 H HIS 74 H HIS 74 14.665 -9.216 25.039 584 HA HIS 74 HA HIS 74 15.579 -8.484 27.701 585 HB2 HIS 74 2HB HIS 74 17.362 -7.760 26.066 586 HB3 HIS 74 3HB HIS 74 16.171 -6.677 25.352 587 HD1 HIS 74 HD1 HIS 74 16.418 -4.374 26.182 588 HD2 HIS 74 HD2 HIS 74 17.472 -7.163 29.075 589 HE1 HIS 74 HE1 HIS 74 17.117 -3.029 28.189 Start of MODEL 15 1 H1 MET 1 H MET 1 0.624 -0.950 -4.035 2 HA MET 1 HA MET 1 3.075 -0.545 -2.956 3 HB2 MET 1 2HB MET 1 2.861 -0.661 -0.555 4 HB3 MET 1 3HB MET 1 1.928 0.708 -1.144 5 HG2 MET 1 2HG MET 1 0.121 -1.391 -1.126 6 HG3 MET 1 3HG MET 1 1.072 -1.616 0.341 7 HE1 MET 1 3HE MET 1 -1.761 -1.292 0.975 8 HE2 MET 1 1HE MET 1 -2.497 0.311 0.983 9 HE3 MET 1 2HE MET 1 -2.172 -0.501 -0.548 10 H GLY 2 H GLY 2 4.122 -2.462 -2.480 11 HA2 GLY 2 2HA GLY 2 3.281 -4.817 -1.506 12 HA3 GLY 2 3HA GLY 2 2.626 -4.862 -3.136 13 H THR 3 H THR 3 5.694 -4.157 -1.464 14 HA THR 3 HA THR 3 7.060 -5.815 -3.468 15 HB THR 3 HB THR 3 8.992 -4.177 -3.361 16 HG1 THR 3 HG1 THR 3 8.679 -2.243 -2.440 17 HG21 THR 3 3HG2 THR 3 8.041 -3.969 -5.404 18 HG22 THR 3 1HG2 THR 3 7.496 -2.420 -4.762 19 HG23 THR 3 2HG2 THR 3 6.412 -3.811 -4.747 20 H ILE 4 H ILE 4 8.916 -6.884 -2.747 21 HA ILE 4 HA ILE 4 8.929 -7.845 -0.162 22 HB ILE 4 HB ILE 4 11.300 -7.623 -2.020 23 HG12 ILE 4 2HG1 ILE 4 9.452 -8.819 -3.055 24 HG13 ILE 4 3HG1 ILE 4 10.721 -9.958 -2.616 25 HG21 ILE 4 1HG2 ILE 4 11.993 -8.059 0.270 26 HG22 ILE 4 2HG2 ILE 4 10.856 -9.403 0.372 27 HG23 ILE 4 3HG2 ILE 4 12.228 -9.491 -0.732 28 HD11 ILE 4 3HD1 ILE 4 8.521 -10.847 -2.115 29 HD12 ILE 4 1HD1 ILE 4 9.455 -10.607 -0.638 30 HD13 ILE 4 2HD1 ILE 4 8.185 -9.463 -1.075 31 H ASP 5 H ASP 5 10.666 -5.080 -1.496 32 HA ASP 5 HA ASP 5 12.386 -4.515 0.601 33 HB2 ASP 5 2HB ASP 5 11.276 -3.074 -1.672 34 HB3 ASP 5 3HB ASP 5 11.547 -2.016 -0.290 35 H ASP 6 H ASP 6 8.948 -4.005 0.341 36 HA ASP 6 HA ASP 6 8.651 -2.164 2.464 37 HB2 ASP 6 2HB ASP 6 6.963 -2.955 0.610 38 HB3 ASP 6 3HB ASP 6 6.516 -4.160 1.815 39 H ALA 7 H ALA 7 8.951 -5.638 2.345 40 HA ALA 7 HA ALA 7 7.999 -6.208 4.947 41 HB1 ALA 7 1HB ALA 7 8.207 -8.264 4.146 42 HB2 ALA 7 2HB ALA 7 9.129 -7.660 2.769 43 HB3 ALA 7 3HB ALA 7 9.961 -8.117 4.255 44 H PHE 8 H PHE 8 11.257 -5.602 3.673 45 HA PHE 8 HA PHE 8 12.611 -5.997 6.122 46 HB2 PHE 8 2HB PHE 8 13.516 -4.230 3.845 47 HB3 PHE 8 3HB PHE 8 14.526 -5.036 5.041 48 HD1 PHE 8 HD1 PHE 8 13.389 -7.739 5.060 49 HD2 PHE 8 HD2 PHE 8 14.179 -5.107 1.809 50 HE1 PHE 8 HE1 PHE 8 13.627 -9.673 3.556 51 HE2 PHE 8 HE2 PHE 8 14.417 -7.036 0.301 52 HZ PHE 8 HZ PHE 8 14.140 -9.323 1.173 53 H ARG 9 H ARG 9 11.011 -3.240 4.689 54 HA ARG 9 HA ARG 9 12.080 -1.337 6.558 55 HB2 ARG 9 2HB ARG 9 9.836 -1.196 4.544 56 HB3 ARG 9 3HB ARG 9 10.282 0.154 5.578 57 HG2 ARG 9 2HG ARG 9 12.612 -0.050 4.617 58 HG3 ARG 9 3HG ARG 9 11.917 -1.149 3.424 59 HD2 ARG 9 2HD ARG 9 11.971 1.029 2.454 60 HD3 ARG 9 3HD ARG 9 10.291 0.654 2.832 61 HE ARG 9 HE ARG 9 11.497 2.058 4.972 62 HH11 ARG 9 2HH1 ARG 9 10.251 2.509 1.752 63 HH12 ARG 9 1HH1 ARG 9 9.837 4.172 2.005 64 HH21 ARG 9 2HH2 ARG 9 10.957 4.247 5.316 65 HH22 ARG 9 1HH2 ARG 9 10.240 5.160 4.032 66 H ALA 10 H ALA 10 9.197 -3.313 6.301 67 HA ALA 10 HA ALA 10 7.797 -2.015 8.438 68 HB1 ALA 10 1HB ALA 10 6.926 -3.521 6.447 69 HB2 ALA 10 2HB ALA 10 7.131 -4.800 7.645 70 HB3 ALA 10 3HB ALA 10 6.069 -3.434 7.987 71 H ILE 11 H ILE 11 10.126 -4.571 8.184 72 HA ILE 11 HA ILE 11 9.688 -6.063 10.455 73 HB ILE 11 HB ILE 11 11.557 -6.247 8.650 74 HG12 ILE 11 2HG1 ILE 11 12.983 -7.535 10.328 75 HG13 ILE 11 3HG1 ILE 11 11.866 -6.966 11.564 76 HG21 ILE 11 1HG2 ILE 11 13.216 -4.948 10.778 77 HG22 ILE 11 2HG2 ILE 11 13.634 -5.304 9.103 78 HG23 ILE 11 3HG2 ILE 11 12.508 -3.998 9.472 79 HD11 ILE 11 3HD1 ILE 11 10.125 -8.246 10.763 80 HD12 ILE 11 1HD1 ILE 11 10.833 -8.388 9.154 81 HD13 ILE 11 2HD1 ILE 11 11.520 -9.293 10.503 82 H GLU 12 H GLU 12 10.887 -2.807 10.188 83 HA GLU 12 HA GLU 12 12.107 -2.532 12.694 84 HB2 GLU 12 2HB GLU 12 11.612 -0.880 10.531 85 HB3 GLU 12 3HB GLU 12 10.664 -0.150 11.819 86 HG2 GLU 12 2HG GLU 12 12.632 0.003 13.220 87 HG3 GLU 12 3HG GLU 12 13.598 -0.801 11.984 88 H ARG 13 H ARG 13 8.738 -2.272 11.705 89 HA ARG 13 HA ARG 13 7.738 -1.221 14.129 90 HB2 ARG 13 2HB ARG 13 6.677 -1.712 11.667 91 HB3 ARG 13 3HB ARG 13 5.946 -3.001 12.614 92 HG2 ARG 13 2HG ARG 13 4.396 -1.514 13.179 93 HG3 ARG 13 3HG ARG 13 5.625 -0.783 14.214 94 HD2 ARG 13 2HD ARG 13 6.041 0.924 12.745 95 HD3 ARG 13 3HD ARG 13 5.565 -0.026 11.338 96 HE ARG 13 HE ARG 13 3.336 0.481 13.013 97 HH11 ARG 13 2HH1 ARG 13 5.440 1.998 10.692 98 HH12 ARG 13 1HH1 ARG 13 4.254 3.151 10.176 99 HH21 ARG 13 2HH2 ARG 13 1.766 1.994 12.343 100 HH22 ARG 13 1HH2 ARG 13 2.165 3.149 11.117 101 H ALA 14 H ALA 14 8.564 -4.440 13.097 102 HA ALA 14 HA ALA 14 7.117 -5.871 15.069 103 HB1 ALA 14 1HB ALA 14 7.770 -7.517 13.732 104 HB2 ALA 14 2HB ALA 14 8.964 -6.475 12.957 105 HB3 ALA 14 3HB ALA 14 9.390 -7.373 14.414 106 H ILE 15 H ILE 15 10.531 -4.869 14.892 107 HA ILE 15 HA ILE 15 11.165 -5.826 17.498 108 HB ILE 15 HB ILE 15 12.877 -5.530 15.750 109 HG12 ILE 15 2HG1 ILE 15 14.113 -3.710 17.563 110 HG13 ILE 15 3HG1 ILE 15 13.046 -4.758 18.492 111 HG21 ILE 15 1HG2 ILE 15 13.702 -3.306 15.192 112 HG22 ILE 15 2HG2 ILE 15 12.003 -3.475 14.756 113 HG23 ILE 15 3HG2 ILE 15 12.456 -2.579 16.206 114 HD11 ILE 15 3HD1 ILE 15 14.618 -6.306 18.456 115 HD12 ILE 15 1HD1 ILE 15 14.430 -6.422 16.707 116 HD13 ILE 15 2HD1 ILE 15 15.619 -5.315 17.395 117 H GLN 16 H GLN 16 10.075 -2.756 16.200 118 HA GLN 16 HA GLN 16 10.641 -1.132 18.419 119 HB2 GLN 16 2HB GLN 16 8.783 -0.969 16.095 120 HB3 GLN 16 3HB GLN 16 8.517 0.132 17.441 121 HG2 GLN 16 2HG GLN 16 11.285 0.149 16.797 122 HG3 GLN 16 3HG GLN 16 10.359 0.362 15.313 123 HE21 GLN 16 1HE2 GLN 16 10.398 2.449 14.862 124 HE22 GLN 16 2HE2 GLN 16 10.033 3.729 15.963 125 H ALA 17 H ALA 17 8.219 -3.523 17.896 126 HA ALA 17 HA ALA 17 6.136 -2.746 19.513 127 HB1 ALA 17 1HB ALA 17 5.400 -4.875 19.342 128 HB2 ALA 17 2HB ALA 17 6.694 -4.987 18.148 129 HB3 ALA 17 3HB ALA 17 6.959 -5.566 19.792 130 H GLU 18 H GLU 18 9.049 -4.535 20.525 131 HA GLU 18 HA GLU 18 10.087 -4.733 22.540 132 HB2 GLU 18 2HB GLU 18 8.493 -2.282 23.308 133 HB3 GLU 18 3HB GLU 18 9.928 -2.890 24.121 134 HG2 GLU 18 2HG GLU 18 11.329 -2.007 22.604 135 HG3 GLU 18 3HG GLU 18 10.244 -2.329 21.253 136 H ASN 19 H ASN 19 9.467 -6.510 23.585 137 HA ASN 19 HA ASN 19 8.287 -7.954 24.890 138 HB2 ASN 19 2HB ASN 19 6.913 -5.677 26.254 139 HB3 ASN 19 3HB ASN 19 7.620 -7.135 26.946 140 HD21 ASN 19 1HD2 ASN 19 10.102 -7.239 26.388 141 HD22 ASN 19 2HD2 ASN 19 10.972 -5.804 26.800 142 H GLU 20 H GLU 20 6.987 -8.767 23.215 143 HA GLU 20 HA GLU 20 4.177 -8.378 23.615 144 HB2 GLU 20 2HB GLU 20 5.547 -7.165 21.272 145 HB3 GLU 20 3HB GLU 20 4.008 -7.961 20.979 146 HG2 GLU 20 2HG GLU 20 3.156 -6.527 22.948 147 HG3 GLU 20 3HG GLU 20 4.598 -5.558 22.651 148 H GLY 21 H GLY 21 3.013 -9.608 21.616 149 HA2 GLY 21 2HA GLY 21 4.569 -12.039 21.031 150 HA3 GLY 21 3HA GLY 21 2.993 -12.178 21.796 151 H ARG 22 H ARG 22 3.009 -9.569 19.708 152 HA ARG 22 HA ARG 22 1.313 -10.960 17.836 153 HB2 ARG 22 2HB ARG 22 1.894 -8.185 18.542 154 HB3 ARG 22 3HB ARG 22 1.724 -8.427 16.809 155 HG2 ARG 22 2HG ARG 22 -0.411 -7.844 17.641 156 HG3 ARG 22 3HG ARG 22 -0.457 -9.572 17.282 157 HD2 ARG 22 2HD ARG 22 -0.822 -10.115 19.422 158 HD3 ARG 22 3HD ARG 22 0.402 -8.987 20.005 159 HE ARG 22 HE ARG 22 -1.268 -7.510 20.473 160 HH11 ARG 22 2HH1 ARG 22 -2.444 -9.807 18.136 161 HH12 ARG 22 1HH1 ARG 22 -4.064 -9.194 18.155 162 HH21 ARG 22 2HH2 ARG 22 -3.398 -6.695 20.508 163 HH22 ARG 22 1HH2 ARG 22 -4.606 -7.424 19.505 164 H TYR 23 H TYR 23 4.621 -10.085 18.040 165 HA TYR 23 HA TYR 23 5.417 -9.673 15.451 166 HB2 TYR 23 2HB TYR 23 7.585 -10.431 16.086 167 HB3 TYR 23 3HB TYR 23 6.870 -9.705 17.521 168 HD1 TYR 23 HD1 TYR 23 5.734 -11.321 19.194 169 HD2 TYR 23 HD2 TYR 23 8.472 -12.581 16.191 170 HE1 TYR 23 HE1 TYR 23 6.157 -13.389 20.456 171 HE2 TYR 23 HE2 TYR 23 8.902 -14.653 17.444 172 HH TYR 23 HH TYR 23 7.989 -16.017 19.116 173 H ARG 24 H ARG 24 4.342 -12.644 16.926 174 HA ARG 24 HA ARG 24 5.310 -14.471 15.027 175 HB2 ARG 24 2HB ARG 24 3.464 -15.948 15.845 176 HB3 ARG 24 3HB ARG 24 4.469 -15.277 17.123 177 HG2 ARG 24 2HG ARG 24 2.529 -14.760 18.096 178 HG3 ARG 24 3HG ARG 24 2.489 -13.418 16.951 179 HD2 ARG 24 2HD ARG 24 1.338 -15.076 15.363 180 HD3 ARG 24 3HD ARG 24 1.083 -16.064 16.802 181 HE ARG 24 HE ARG 24 0.203 -13.340 17.085 182 HH11 ARG 24 2HH1 ARG 24 -0.664 -16.543 16.031 183 HH12 ARG 24 1HH1 ARG 24 -2.367 -16.283 16.215 184 HH21 ARG 24 2HH2 ARG 24 -2.037 -12.986 17.331 185 HH22 ARG 24 1HH2 ARG 24 -3.147 -14.259 16.953 186 H GLU 25 H GLU 25 2.231 -12.711 15.207 187 HA GLU 25 HA GLU 25 1.246 -13.831 12.757 188 HB2 GLU 25 2HB GLU 25 -0.707 -12.700 13.185 189 HB3 GLU 25 3HB GLU 25 -0.048 -12.810 14.811 190 HG2 GLU 25 2HG GLU 25 -0.637 -10.615 14.766 191 HG3 GLU 25 3HG GLU 25 1.023 -10.497 14.187 192 H ALA 26 H ALA 26 3.128 -11.064 13.659 193 HA ALA 26 HA ALA 26 2.692 -9.578 11.250 194 HB1 ALA 26 1HB ALA 26 4.476 -8.135 12.043 195 HB2 ALA 26 2HB ALA 26 3.349 -8.493 13.352 196 HB3 ALA 26 3HB ALA 26 4.907 -9.316 13.281 197 H LEU 27 H LEU 27 5.205 -11.773 12.428 198 HA LEU 27 HA LEU 27 7.045 -11.457 10.354 199 HB2 LEU 27 2HB LEU 27 6.415 -13.665 12.261 200 HB3 LEU 27 3HB LEU 27 7.559 -13.952 10.952 201 HG LEU 27 HG LEU 27 7.833 -11.854 13.104 202 HD11 LEU 27 1HD1 LEU 27 9.393 -14.397 12.682 203 HD12 LEU 27 2HD1 LEU 27 8.121 -14.187 13.884 204 HD13 LEU 27 3HD1 LEU 27 9.597 -13.228 13.986 205 HD21 LEU 27 3HD2 LEU 27 9.543 -12.597 10.745 206 HD22 LEU 27 1HD2 LEU 27 10.178 -11.736 12.148 207 HD23 LEU 27 2HD2 LEU 27 8.896 -11.013 11.176 208 H LYS 28 H LYS 28 4.044 -13.210 10.490 209 HA LYS 28 HA LYS 28 4.318 -15.037 8.441 210 HB2 LYS 28 2HB LYS 28 2.248 -14.173 10.008 211 HB3 LYS 28 3HB LYS 28 1.753 -13.598 8.422 212 HG2 LYS 28 2HG LYS 28 2.180 -15.955 7.592 213 HG3 LYS 28 3HG LYS 28 2.289 -16.420 9.292 214 HD2 LYS 28 2HD LYS 28 0.052 -16.830 8.632 215 HD3 LYS 28 3HD LYS 28 0.019 -15.354 9.600 216 HE2 LYS 28 2HE LYS 28 0.003 -14.018 7.544 217 HE3 LYS 28 3HE LYS 28 0.023 -15.497 6.585 218 HZ1 LYS 28 3HZ LYS 28 -2.086 -15.653 8.424 219 HZ2 LYS 28 1HZ LYS 28 -2.168 -15.588 6.735 220 HZ3 LYS 28 2HZ LYS 28 -2.189 -14.159 7.638 221 H HIS 29 H HIS 29 3.433 -11.608 8.208 222 HA HIS 29 HA HIS 29 3.007 -11.531 5.439 223 HB2 HIS 29 2HB HIS 29 2.387 -9.739 7.091 224 HB3 HIS 29 3HB HIS 29 4.085 -9.273 7.136 225 HD1 HIS 29 HD1 HIS 29 4.275 -7.164 5.865 226 HD2 HIS 29 HD2 HIS 29 1.763 -9.881 3.977 227 HE1 HIS 29 HE1 HIS 29 3.612 -6.073 3.699 228 H PHE 30 H PHE 30 5.926 -11.523 7.326 229 HA PHE 30 HA PHE 30 7.623 -10.605 5.197 230 HB2 PHE 30 2HB PHE 30 8.059 -10.410 7.722 231 HB3 PHE 30 3HB PHE 30 8.543 -12.101 7.644 232 HD1 PHE 30 HD1 PHE 30 10.494 -12.758 6.259 233 HD2 PHE 30 HD2 PHE 30 9.481 -8.684 6.961 234 HE1 PHE 30 HE1 PHE 30 12.754 -12.079 5.563 235 HE2 PHE 30 HE2 PHE 30 11.739 -7.999 6.265 236 HZ PHE 30 HZ PHE 30 13.379 -9.697 5.564 237 H LEU 31 H LEU 31 6.773 -13.728 6.612 238 HA LEU 31 HA LEU 31 8.601 -15.320 5.217 239 HB2 LEU 31 2HB LEU 31 6.081 -15.738 6.676 240 HB3 LEU 31 3HB LEU 31 6.472 -16.974 5.482 241 HG LEU 31 HG LEU 31 7.209 -17.560 7.761 242 HD11 LEU 31 1HD1 LEU 31 9.832 -17.435 6.754 243 HD12 LEU 31 2HD1 LEU 31 8.762 -17.589 5.362 244 HD13 LEU 31 3HD1 LEU 31 8.695 -18.780 6.661 245 HD21 LEU 31 3HD2 LEU 31 8.518 -16.257 9.052 246 HD22 LEU 31 1HD2 LEU 31 7.876 -14.960 8.043 247 HD23 LEU 31 2HD2 LEU 31 9.456 -15.657 7.683 248 H ASP 32 H ASP 32 5.564 -13.910 4.248 249 HA ASP 32 HA ASP 32 5.179 -15.512 1.923 250 HB2 ASP 32 2HB ASP 32 3.713 -13.562 3.304 251 HB3 ASP 32 3HB ASP 32 4.000 -12.878 1.706 252 H GLY 33 H GLY 33 7.092 -12.724 2.657 253 HA2 GLY 33 2HA GLY 33 7.421 -11.846 -0.057 254 HA3 GLY 33 3HA GLY 33 8.352 -11.310 1.333 255 H GLY 34 H GLY 34 9.561 -13.530 2.248 256 HA2 GLY 34 2HA GLY 34 11.748 -13.860 0.566 257 HA3 GLY 34 3HA GLY 34 11.336 -14.940 1.889 258 H GLU 35 H GLU 35 8.764 -15.696 0.721 259 HA GLU 35 HA GLU 35 9.730 -17.823 -0.952 260 HB2 GLU 35 2HB GLU 35 6.928 -17.074 -0.099 261 HB3 GLU 35 3HB GLU 35 7.344 -18.532 -0.989 262 HG2 GLU 35 2HG GLU 35 9.031 -18.481 1.249 263 HG3 GLU 35 3HG GLU 35 7.427 -18.037 1.828 264 H MET 36 H MET 36 8.314 -14.720 -1.442 265 HA MET 36 HA MET 36 7.281 -15.204 -4.061 266 HB2 MET 36 2HB MET 36 7.877 -12.710 -2.486 267 HB3 MET 36 3HB MET 36 7.334 -12.635 -4.157 268 HG2 MET 36 2HG MET 36 5.648 -14.375 -2.599 269 HG3 MET 36 3HG MET 36 5.757 -12.773 -1.873 270 HE1 MET 36 3HE MET 36 5.522 -10.553 -4.601 271 HE2 MET 36 1HE MET 36 3.947 -10.456 -3.814 272 HE3 MET 36 2HE MET 36 5.396 -10.745 -2.852 273 H ILE 37 H ILE 37 10.369 -14.274 -2.749 274 HA ILE 37 HA ILE 37 11.449 -13.400 -5.273 275 HB ILE 37 HB ILE 37 12.175 -12.922 -2.698 276 HG12 ILE 37 2HG1 ILE 37 12.782 -11.532 -4.589 277 HG13 ILE 37 3HG1 ILE 37 14.232 -11.912 -3.667 278 HG21 ILE 37 1HG2 ILE 37 14.284 -14.794 -3.754 279 HG22 ILE 37 2HG2 ILE 37 14.238 -13.995 -2.183 280 HG23 ILE 37 3HG2 ILE 37 13.070 -15.260 -2.563 281 HD11 ILE 37 3HD1 ILE 37 13.359 -13.189 -6.247 282 HD12 ILE 37 1HD1 ILE 37 14.691 -12.056 -6.022 283 HD13 ILE 37 2HD1 ILE 37 14.773 -13.666 -5.307 284 H VAL 38 H VAL 38 11.217 -16.371 -3.504 285 HA VAL 38 HA VAL 38 13.343 -17.773 -4.737 286 HB VAL 38 HB VAL 38 10.791 -18.853 -3.530 287 HG11 VAL 38 1HG1 VAL 38 11.451 -20.783 -4.445 288 HG12 VAL 38 2HG1 VAL 38 13.046 -20.147 -4.853 289 HG13 VAL 38 3HG1 VAL 38 12.732 -20.771 -3.233 290 HG21 VAL 38 3HG2 VAL 38 11.732 -18.698 -1.493 291 HG22 VAL 38 1HG2 VAL 38 13.336 -19.121 -2.091 292 HG23 VAL 38 2HG2 VAL 38 12.745 -17.467 -2.248 293 H THR 39 H THR 39 9.942 -17.344 -5.566 294 HA THR 39 HA THR 39 9.628 -19.229 -7.551 295 HB THR 39 HB THR 39 7.875 -17.617 -6.656 296 HG1 THR 39 HG1 THR 39 7.950 -17.841 -9.493 297 HG21 THR 39 3HG2 THR 39 9.454 -15.641 -7.475 298 HG22 THR 39 1HG2 THR 39 7.700 -15.469 -7.418 299 HG23 THR 39 2HG2 THR 39 8.501 -15.829 -8.947 300 H ALA 40 H ALA 40 11.404 -16.230 -7.644 301 HA ALA 40 HA ALA 40 11.660 -16.093 -10.484 302 HB1 ALA 40 1HB ALA 40 13.811 -14.780 -9.088 303 HB2 ALA 40 2HB ALA 40 12.502 -14.085 -10.044 304 HB3 ALA 40 3HB ALA 40 12.259 -14.423 -8.330 305 H ALA 41 H ALA 41 13.589 -17.467 -7.875 306 HA ALA 41 HA ALA 41 15.819 -18.135 -9.541 307 HB1 ALA 41 1HB ALA 41 16.580 -18.023 -7.417 308 HB2 ALA 41 2HB ALA 41 15.050 -18.561 -6.724 309 HB3 ALA 41 3HB ALA 41 16.165 -19.737 -7.418 310 H GLU 42 H GLU 42 13.085 -19.948 -8.185 311 HA GLU 42 HA GLU 42 13.791 -22.485 -9.098 312 HB2 GLU 42 2HB GLU 42 11.113 -21.216 -8.555 313 HB3 GLU 42 3HB GLU 42 11.263 -22.894 -9.057 314 HG2 GLU 42 2HG GLU 42 13.043 -22.319 -6.869 315 HG3 GLU 42 3HG GLU 42 11.382 -21.885 -6.466 316 H LYS 43 H LYS 43 11.576 -20.144 -10.626 317 HA LYS 43 HA LYS 43 11.164 -21.607 -12.983 318 HB2 LYS 43 2HB LYS 43 10.552 -18.948 -11.988 319 HB3 LYS 43 3HB LYS 43 10.943 -18.921 -13.702 320 HG2 LYS 43 2HG LYS 43 9.021 -19.898 -14.271 321 HG3 LYS 43 3HG LYS 43 9.128 -21.081 -12.965 322 HD2 LYS 43 2HD LYS 43 8.358 -19.351 -11.380 323 HD3 LYS 43 3HD LYS 43 8.182 -18.225 -12.728 324 HE2 LYS 43 2HE LYS 43 6.827 -20.639 -13.386 325 HE3 LYS 43 3HE LYS 43 6.326 -20.145 -11.770 326 HZ1 LYS 43 3HZ LYS 43 5.005 -18.661 -12.713 327 HZ2 LYS 43 1HZ LYS 43 5.575 -19.054 -14.257 328 HZ3 LYS 43 2HZ LYS 43 6.354 -17.860 -13.347 329 H GLU 44 H GLU 44 13.828 -19.699 -11.929 330 HA GLU 44 HA GLU 44 14.916 -19.416 -14.616 331 HB2 GLU 44 2HB GLU 44 15.695 -18.397 -11.907 332 HB3 GLU 44 3HB GLU 44 16.875 -18.405 -13.210 333 HG2 GLU 44 2HG GLU 44 14.197 -17.036 -13.295 334 HG3 GLU 44 3HG GLU 44 15.742 -16.247 -12.984 335 H ALA 45 H ALA 45 17.492 -19.794 -14.525 336 HA ALA 45 HA ALA 45 18.370 -22.084 -13.078 337 HB1 ALA 45 1HB ALA 45 17.718 -23.750 -14.386 338 HB2 ALA 45 2HB ALA 45 16.888 -22.604 -15.440 339 HB3 ALA 45 3HB ALA 45 18.573 -23.025 -15.748 340 H SER 46 H SER 46 18.812 -20.335 -16.149 341 HA SER 46 HA SER 46 21.702 -20.572 -15.905 342 HB2 SER 46 2HB SER 46 20.366 -18.977 -18.060 343 HB3 SER 46 3HB SER 46 21.833 -19.952 -18.138 344 HG SER 46 HG SER 46 20.257 -21.092 -19.182 345 H GLN 47 H GLN 47 20.793 -19.152 -13.804 346 HA GLN 47 HA GLN 47 21.598 -16.397 -14.462 347 HB2 GLN 47 2HB GLN 47 19.108 -16.937 -13.728 348 HB3 GLN 47 3HB GLN 47 19.822 -16.909 -12.121 349 HG2 GLN 47 2HG GLN 47 19.280 -14.730 -12.250 350 HG3 GLN 47 3HG GLN 47 20.837 -14.632 -13.071 351 HE21 GLN 47 1HE2 GLN 47 18.035 -13.285 -13.224 352 HE22 GLN 47 2HE2 GLN 47 17.762 -13.179 -14.926 353 H LYS 48 H LYS 48 23.227 -15.571 -13.296 354 HA LYS 48 HA LYS 48 24.606 -17.277 -11.438 355 HB2 LYS 48 2HB LYS 48 25.181 -14.422 -12.254 356 HB3 LYS 48 3HB LYS 48 26.268 -15.469 -11.350 357 HG2 LYS 48 2HG LYS 48 25.495 -16.810 -13.739 358 HG3 LYS 48 3HG LYS 48 26.032 -15.179 -14.147 359 HD2 LYS 48 2HD LYS 48 28.040 -15.669 -12.629 360 HD3 LYS 48 3HD LYS 48 27.544 -17.359 -12.739 361 HE2 LYS 48 2HE LYS 48 27.929 -17.438 -15.047 362 HE3 LYS 48 3HE LYS 48 27.943 -15.682 -15.194 363 HZ1 LYS 48 3HZ LYS 48 30.136 -15.789 -15.031 364 HZ2 LYS 48 1HZ LYS 48 30.101 -17.444 -14.684 365 HZ3 LYS 48 2HZ LYS 48 29.970 -16.315 -13.432 366 H VAL 49 H VAL 49 22.476 -14.528 -11.257 367 HA VAL 49 HA VAL 49 23.055 -13.913 -8.512 368 HB VAL 49 HB VAL 49 20.995 -12.494 -8.660 369 HG11 VAL 49 1HG1 VAL 49 21.994 -11.010 -10.534 370 HG12 VAL 49 2HG1 VAL 49 22.954 -11.327 -9.088 371 HG13 VAL 49 3HG1 VAL 49 23.278 -12.217 -10.576 372 HG21 VAL 49 3HG2 VAL 49 19.888 -12.199 -10.775 373 HG22 VAL 49 1HG2 VAL 49 20.990 -13.333 -11.556 374 HG23 VAL 49 2HG2 VAL 49 19.842 -13.909 -10.348 375 H ARG 50 H ARG 50 20.756 -15.911 -10.232 376 HA ARG 50 HA ARG 50 18.746 -16.335 -8.458 377 HB2 ARG 50 2HB ARG 50 18.733 -17.480 -10.557 378 HB3 ARG 50 3HB ARG 50 20.208 -18.351 -10.160 379 HG2 ARG 50 2HG ARG 50 18.266 -18.908 -8.158 380 HG3 ARG 50 3HG ARG 50 17.533 -19.147 -9.745 381 HD2 ARG 50 2HD ARG 50 18.478 -21.185 -9.598 382 HD3 ARG 50 3HD ARG 50 19.930 -20.334 -10.123 383 HE ARG 50 HE ARG 50 19.934 -20.128 -7.391 384 HH11 ARG 50 2HH1 ARG 50 19.859 -22.739 -9.693 385 HH12 ARG 50 1HH1 ARG 50 20.697 -23.848 -8.660 386 HH21 ARG 50 2HH2 ARG 50 21.038 -21.579 -6.021 387 HH22 ARG 50 1HH2 ARG 50 21.367 -23.188 -6.571 388 H ASN 51 H ASN 51 21.947 -17.870 -8.361 389 HA ASN 51 HA ASN 51 21.582 -19.582 -6.225 390 HB2 ASN 51 2HB ASN 51 23.625 -19.482 -7.630 391 HB3 ASN 51 3HB ASN 51 24.080 -17.982 -6.827 392 HD21 ASN 51 1HD2 ASN 51 25.530 -18.232 -5.307 393 HD22 ASN 51 2HD2 ASN 51 25.734 -19.624 -4.303 394 H LEU 52 H LEU 52 22.605 -16.177 -6.140 395 HA LEU 52 HA LEU 52 22.688 -16.074 -3.285 396 HB2 LEU 52 2HB LEU 52 23.945 -14.607 -4.965 397 HB3 LEU 52 3HB LEU 52 22.440 -13.702 -5.109 398 HG LEU 52 HG LEU 52 22.569 -13.282 -2.636 399 HD11 LEU 52 1HD1 LEU 52 23.981 -14.951 -1.814 400 HD12 LEU 52 2HD1 LEU 52 24.952 -13.482 -1.735 401 HD13 LEU 52 3HD1 LEU 52 25.212 -14.641 -3.039 402 HD21 LEU 52 3HD2 LEU 52 23.576 -11.875 -4.680 403 HD22 LEU 52 1HD2 LEU 52 25.058 -12.157 -3.766 404 HD23 LEU 52 2HD2 LEU 52 23.690 -11.350 -2.999 405 H LEU 53 H LEU 53 20.271 -15.477 -5.720 406 HA LEU 53 HA LEU 53 18.472 -13.911 -4.268 407 HB2 LEU 53 2HB LEU 53 18.327 -15.701 -6.609 408 HB3 LEU 53 3HB LEU 53 16.803 -15.381 -5.785 409 HG LEU 53 HG LEU 53 16.804 -13.145 -6.371 410 HD11 LEU 53 1HD1 LEU 53 19.018 -12.181 -7.417 411 HD12 LEU 53 2HD1 LEU 53 19.761 -13.456 -6.451 412 HD13 LEU 53 3HD1 LEU 53 18.773 -12.221 -5.671 413 HD21 LEU 53 3HD2 LEU 53 18.337 -14.310 -8.684 414 HD22 LEU 53 1HD2 LEU 53 17.099 -13.054 -8.717 415 HD23 LEU 53 2HD2 LEU 53 16.656 -14.719 -8.339 416 H LEU 54 H LEU 54 18.838 -17.427 -4.437 417 HA LEU 54 HA LEU 54 16.616 -17.941 -2.699 418 HB2 LEU 54 2HB LEU 54 18.883 -19.759 -3.501 419 HB3 LEU 54 3HB LEU 54 17.367 -20.253 -2.750 420 HG LEU 54 HG LEU 54 17.199 -18.817 -5.342 421 HD11 LEU 54 1HD1 LEU 54 17.885 -20.564 -6.676 422 HD12 LEU 54 2HD1 LEU 54 17.748 -21.751 -5.379 423 HD13 LEU 54 3HD1 LEU 54 19.090 -20.606 -5.388 424 HD21 LEU 54 3HD2 LEU 54 15.715 -20.992 -3.907 425 HD22 LEU 54 1HD2 LEU 54 15.464 -20.688 -5.625 426 HD23 LEU 54 2HD2 LEU 54 15.131 -19.418 -4.447 427 H HIS 55 H HIS 55 20.152 -18.171 -2.338 428 HA HIS 55 HA HIS 55 20.239 -18.944 0.326 429 HB2 HIS 55 2HB HIS 55 22.169 -18.746 -1.333 430 HB3 HIS 55 3HB HIS 55 22.220 -17.036 -0.914 431 HD1 HIS 55 HD1 HIS 55 22.313 -16.763 1.922 432 HD2 HIS 55 HD2 HIS 55 23.938 -20.143 0.135 433 HE1 HIS 55 HE1 HIS 55 23.925 -17.704 3.607 434 H LYS 56 H LYS 56 19.947 -15.716 -1.073 435 HA LYS 56 HA LYS 56 20.179 -14.306 1.381 436 HB2 LYS 56 2HB LYS 56 19.139 -13.600 -1.349 437 HB3 LYS 56 3HB LYS 56 18.975 -12.475 -0.006 438 HG2 LYS 56 2HG LYS 56 21.612 -13.645 -0.848 439 HG3 LYS 56 3HG LYS 56 20.971 -12.133 -1.495 440 HD2 LYS 56 2HD LYS 56 21.475 -10.991 0.370 441 HD3 LYS 56 3HD LYS 56 20.908 -12.288 1.425 442 HE2 LYS 56 2HE LYS 56 23.065 -13.507 0.720 443 HE3 LYS 56 3HE LYS 56 23.605 -11.924 0.164 444 HZ1 LYS 56 3HZ LYS 56 23.599 -12.950 2.779 445 HZ2 LYS 56 1HZ LYS 56 22.573 -11.605 2.731 446 HZ3 LYS 56 2HZ LYS 56 24.183 -11.459 2.234 447 H GLY 57 H GLY 57 17.505 -15.774 -0.340 448 HA2 GLY 57 2HA GLY 57 15.416 -14.514 1.116 449 HA3 GLY 57 3HA GLY 57 15.276 -15.996 0.181 450 H LYS 58 H LYS 58 16.851 -17.763 1.419 451 HA LYS 58 HA LYS 58 15.346 -18.523 3.671 452 HB2 LYS 58 2HB LYS 58 17.102 -20.265 3.977 453 HB3 LYS 58 3HB LYS 58 16.452 -20.197 2.344 454 HG2 LYS 58 2HG LYS 58 18.706 -20.405 1.951 455 HG3 LYS 58 3HG LYS 58 18.490 -18.655 1.878 456 HD2 LYS 58 2HD LYS 58 19.904 -18.361 3.570 457 HD3 LYS 58 3HD LYS 58 18.984 -19.474 4.586 458 HE2 LYS 58 2HE LYS 58 20.169 -21.364 3.551 459 HE3 LYS 58 3HE LYS 58 21.108 -20.230 2.581 460 HZ1 LYS 58 3HZ LYS 58 22.482 -19.863 4.269 461 HZ2 LYS 58 1HZ LYS 58 21.760 -21.170 5.066 462 HZ3 LYS 58 2HZ LYS 58 21.217 -19.595 5.359 463 H GLU 59 H GLU 59 18.140 -16.522 3.326 464 HA GLU 59 HA GLU 59 18.983 -16.733 6.069 465 HB2 GLU 59 2HB GLU 59 20.632 -16.227 4.367 466 HB3 GLU 59 3HB GLU 59 19.738 -14.794 3.878 467 HG2 GLU 59 2HG GLU 59 21.737 -14.322 5.264 468 HG3 GLU 59 3HG GLU 59 20.232 -13.693 5.933 469 H VAL 60 H VAL 60 17.694 -14.015 4.147 470 HA VAL 60 HA VAL 60 17.231 -12.240 6.204 471 HB VAL 60 HB VAL 60 15.595 -11.146 4.788 472 HG11 VAL 60 1HG1 VAL 60 17.351 -10.400 3.655 473 HG12 VAL 60 2HG1 VAL 60 18.220 -11.908 3.946 474 HG13 VAL 60 3HG1 VAL 60 17.173 -11.750 2.535 475 HG21 VAL 60 3HG2 VAL 60 14.338 -13.133 4.103 476 HG22 VAL 60 1HG2 VAL 60 14.806 -12.155 2.711 477 HG23 VAL 60 2HG2 VAL 60 15.688 -13.637 3.085 478 H LEU 61 H LEU 61 15.371 -15.040 5.267 479 HA LEU 61 HA LEU 61 13.039 -14.380 6.779 480 HB2 LEU 61 2HB LEU 61 14.042 -16.960 5.600 481 HB3 LEU 61 3HB LEU 61 12.507 -16.821 6.455 482 HG LEU 61 HG LEU 61 13.132 -15.155 4.033 483 HD11 LEU 61 1HD1 LEU 61 11.762 -16.866 2.791 484 HD12 LEU 61 2HD1 LEU 61 12.014 -17.944 4.164 485 HD13 LEU 61 3HD1 LEU 61 13.395 -17.366 3.232 486 HD21 LEU 61 3HD2 LEU 61 11.236 -14.229 4.823 487 HD22 LEU 61 1HD2 LEU 61 10.813 -15.651 5.778 488 HD23 LEU 61 2HD2 LEU 61 10.473 -15.618 4.048 489 H GLU 62 H GLU 62 15.966 -16.239 7.386 490 HA GLU 62 HA GLU 62 15.061 -17.211 9.937 491 HB2 GLU 62 2HB GLU 62 17.596 -17.373 8.366 492 HB3 GLU 62 3HB GLU 62 17.653 -17.707 10.091 493 HG2 GLU 62 2HG GLU 62 15.511 -19.201 9.275 494 HG3 GLU 62 3HG GLU 62 16.610 -19.319 7.901 495 H TRP 63 H TRP 63 16.935 -14.508 8.755 496 HA TRP 63 HA TRP 63 17.936 -13.729 11.324 497 HB2 TRP 63 2HB TRP 63 19.152 -13.112 9.309 498 HB3 TRP 63 3HB TRP 63 17.761 -12.211 8.713 499 HD1 TRP 63 HD1 TRP 63 17.475 -9.748 9.531 500 HE1 TRP 63 HE1 TRP 63 18.880 -8.185 11.016 501 HE3 TRP 63 HE3 TRP 63 20.748 -13.175 11.447 502 HZ2 TRP 63 HZ2 TRP 63 21.085 -8.379 12.768 503 HZ3 TRP 63 HZ3 TRP 63 22.476 -12.405 13.021 504 HH2 TRP 63 HH2 TRP 63 22.640 -10.055 13.665 505 H ALA 64 H ALA 64 15.250 -12.721 9.254 506 HA ALA 64 HA ALA 64 14.371 -10.499 10.657 507 HB1 ALA 64 1HB ALA 64 12.055 -11.249 9.781 508 HB2 ALA 64 2HB ALA 64 13.318 -10.837 8.621 509 HB3 ALA 64 3HB ALA 64 12.960 -12.528 8.971 510 H GLU 65 H GLU 65 13.918 -13.908 11.348 511 HA GLU 65 HA GLU 65 11.963 -13.492 13.401 512 HB2 GLU 65 2HB GLU 65 13.677 -15.890 12.733 513 HB3 GLU 65 3HB GLU 65 12.394 -15.890 13.935 514 HG2 GLU 65 2HG GLU 65 11.148 -14.901 11.692 515 HG3 GLU 65 3HG GLU 65 12.244 -16.120 11.045 516 H HIS 66 H HIS 66 15.412 -13.480 13.229 517 HA HIS 66 HA HIS 66 15.979 -14.025 15.950 518 HB2 HIS 66 2HB HIS 66 17.459 -13.474 13.609 519 HB3 HIS 66 3HB HIS 66 17.934 -12.261 14.794 520 HD1 HIS 66 HD1 HIS 66 19.328 -13.035 16.779 521 HD2 HIS 66 HD2 HIS 66 18.087 -16.148 14.323 522 HE1 HIS 66 HE1 HIS 66 20.628 -15.050 17.539 523 H LEU 67 H LEU 67 15.847 -10.945 14.158 524 HA LEU 67 HA LEU 67 16.129 -9.342 16.489 525 HB2 LEU 67 2HB LEU 67 15.844 -7.492 15.088 526 HB3 LEU 67 3HB LEU 67 16.653 -8.700 14.092 527 HG LEU 67 HG LEU 67 14.096 -9.204 13.431 528 HD11 LEU 67 1HD1 LEU 67 13.426 -7.275 14.956 529 HD12 LEU 67 2HD1 LEU 67 12.770 -7.277 13.319 530 HD13 LEU 67 3HD1 LEU 67 14.120 -6.217 13.726 531 HD21 LEU 67 3HD2 LEU 67 15.565 -8.902 11.688 532 HD22 LEU 67 1HD2 LEU 67 16.154 -7.360 12.308 533 HD23 LEU 67 2HD2 LEU 67 14.567 -7.454 11.545 534 H ALA 68 H ALA 68 13.398 -10.643 14.729 535 HA ALA 68 HA ALA 68 11.376 -9.047 15.873 536 HB1 ALA 68 1HB ALA 68 9.843 -10.852 15.159 537 HB2 ALA 68 2HB ALA 68 10.948 -10.338 13.884 538 HB3 ALA 68 3HB ALA 68 11.244 -11.843 14.754 539 H GLU 69 H GLU 69 12.984 -11.975 16.952 540 HA GLU 69 HA GLU 69 11.169 -12.393 19.154 541 HB2 GLU 69 2HB GLU 69 13.758 -13.685 18.315 542 HB3 GLU 69 3HB GLU 69 12.967 -14.089 19.832 543 HG2 GLU 69 2HG GLU 69 11.152 -14.190 17.570 544 HG3 GLU 69 3HG GLU 69 12.526 -15.279 17.393 545 H TRP 70 H TRP 70 14.035 -10.592 18.571 546 HA TRP 70 HA TRP 70 15.336 -10.451 20.959 547 HB2 TRP 70 2HB TRP 70 15.437 -9.014 18.648 548 HB3 TRP 70 3HB TRP 70 14.816 -7.803 19.767 549 HD1 TRP 70 HD1 TRP 70 16.432 -7.053 21.785 550 HE1 TRP 70 HE1 TRP 70 18.988 -7.192 22.060 551 HE3 TRP 70 HE3 TRP 70 17.464 -10.437 18.094 552 HZ2 TRP 70 HZ2 TRP 70 21.154 -8.556 20.870 553 HZ3 TRP 70 HZ3 TRP 70 19.803 -11.105 17.727 554 HH2 TRP 70 HH2 TRP 70 21.608 -10.183 19.087 555 H ILE 71 H ILE 71 12.256 -8.960 20.135 556 HA ILE 71 HA ILE 71 11.895 -7.221 22.235 557 HB ILE 71 HB ILE 71 9.452 -7.691 22.033 558 HG12 ILE 71 2HG1 ILE 71 10.472 -9.845 20.180 559 HG13 ILE 71 3HG1 ILE 71 9.406 -10.029 21.569 560 HG21 ILE 71 1HG2 ILE 71 10.512 -7.488 19.258 561 HG22 ILE 71 2HG2 ILE 71 9.267 -6.535 20.063 562 HG23 ILE 71 3HG2 ILE 71 10.967 -6.258 20.437 563 HD11 ILE 71 3HD1 ILE 71 8.803 -9.086 18.821 564 HD12 ILE 71 1HD1 ILE 71 7.907 -10.191 19.863 565 HD13 ILE 71 2HD1 ILE 71 7.848 -8.453 20.161 566 H LEU 72 H LEU 72 11.294 -10.715 22.181 567 HA LEU 72 HA LEU 72 10.342 -10.820 24.871 568 HB2 LEU 72 2HB LEU 72 11.458 -13.073 23.214 569 HB3 LEU 72 3HB LEU 72 10.406 -13.208 24.622 570 HG LEU 72 HG LEU 72 9.089 -11.622 22.651 571 HD11 LEU 72 1HD1 LEU 72 10.795 -13.038 21.245 572 HD12 LEU 72 2HD1 LEU 72 9.122 -12.850 20.721 573 HD13 LEU 72 3HD1 LEU 72 9.629 -14.329 21.537 574 HD21 LEU 72 3HD2 LEU 72 7.364 -13.239 22.916 575 HD22 LEU 72 1HD2 LEU 72 8.128 -13.029 24.492 576 HD23 LEU 72 2HD2 LEU 72 8.502 -14.448 23.513 577 H GLU 73 H GLU 73 13.451 -11.432 23.305 578 HA GLU 73 HA GLU 73 14.833 -12.495 25.478 579 HB2 GLU 73 2HB GLU 73 15.509 -12.070 22.947 580 HB3 GLU 73 3HB GLU 73 16.251 -10.631 23.632 581 HG2 GLU 73 2HG GLU 73 18.015 -11.848 24.159 582 HG3 GLU 73 3HG GLU 73 17.012 -12.746 25.298 583 H HIS 74 H HIS 74 13.959 -9.202 24.733 584 HA HIS 74 HA HIS 74 15.690 -8.064 26.745 585 HB2 HIS 74 2HB HIS 74 14.342 -7.083 24.492 586 HB3 HIS 74 3HB HIS 74 13.567 -6.302 25.867 587 HD1 HIS 74 HD1 HIS 74 14.795 -4.398 26.937 588 HD2 HIS 74 HD2 HIS 74 17.192 -6.580 24.337 589 HE1 HIS 74 HE1 HIS 74 16.936 -3.093 26.740 Start of MODEL 16 1 H1 MET 1 H MET 1 1.695 0.778 -0.422 2 HA MET 1 HA MET 1 3.464 0.998 -2.739 3 HB2 MET 1 2HB MET 1 4.320 0.822 0.070 4 HB3 MET 1 3HB MET 1 5.082 -0.351 -0.997 5 HG2 MET 1 2HG MET 1 6.465 1.193 -1.752 6 HG3 MET 1 3HG MET 1 5.107 2.184 -2.280 7 HE1 MET 1 3HE MET 1 4.413 4.142 -1.485 8 HE2 MET 1 1HE MET 1 3.756 3.791 0.114 9 HE3 MET 1 2HE MET 1 4.970 5.055 -0.082 10 H GLY 2 H GLY 2 4.646 -1.263 -2.978 11 HA2 GLY 2 2HA GLY 2 3.142 -3.536 -2.068 12 HA3 GLY 2 3HA GLY 2 2.822 -3.143 -3.751 13 H THR 3 H THR 3 5.749 -3.226 -1.715 14 HA THR 3 HA THR 3 6.903 -5.191 -3.561 15 HB THR 3 HB THR 3 9.097 -3.937 -3.427 16 HG1 THR 3 HG1 THR 3 9.139 -1.997 -2.526 17 HG21 THR 3 3HG2 THR 3 8.213 -2.093 -5.063 18 HG22 THR 3 1HG2 THR 3 6.692 -2.972 -4.915 19 HG23 THR 3 2HG2 THR 3 8.131 -3.794 -5.519 20 H ILE 4 H ILE 4 8.603 -6.452 -2.675 21 HA ILE 4 HA ILE 4 8.265 -7.321 -0.081 22 HB ILE 4 HB ILE 4 10.775 -7.463 -1.753 23 HG12 ILE 4 2HG1 ILE 4 8.860 -8.509 -2.836 24 HG13 ILE 4 3HG1 ILE 4 9.975 -9.748 -2.270 25 HG21 ILE 4 1HG2 ILE 4 9.993 -9.002 0.718 26 HG22 ILE 4 2HG2 ILE 4 11.376 -9.372 -0.309 27 HG23 ILE 4 3HG2 ILE 4 11.316 -7.845 0.570 28 HD11 ILE 4 3HD1 ILE 4 7.691 -10.398 -1.842 29 HD12 ILE 4 1HD1 ILE 4 8.541 -10.125 -0.321 30 HD13 ILE 4 2HD1 ILE 4 7.414 -8.913 -0.932 31 H ASP 5 H ASP 5 10.226 -4.691 -1.276 32 HA ASP 5 HA ASP 5 11.952 -4.293 0.861 33 HB2 ASP 5 2HB ASP 5 11.205 -2.881 -1.468 34 HB3 ASP 5 3HB ASP 5 11.030 -1.754 -0.125 35 H ASP 6 H ASP 6 8.554 -3.583 0.560 36 HA ASP 6 HA ASP 6 8.309 -1.774 2.709 37 HB2 ASP 6 2HB ASP 6 6.611 -2.551 0.815 38 HB3 ASP 6 3HB ASP 6 6.076 -3.649 2.084 39 H ALA 7 H ALA 7 8.712 -5.195 2.585 40 HA ALA 7 HA ALA 7 7.666 -5.734 5.205 41 HB1 ALA 7 1HB ALA 7 9.577 -7.631 3.990 42 HB2 ALA 7 2HB ALA 7 8.000 -7.919 4.729 43 HB3 ALA 7 3HB ALA 7 8.102 -7.304 3.079 44 H PHE 8 H PHE 8 10.958 -5.737 3.827 45 HA PHE 8 HA PHE 8 12.394 -6.198 6.129 46 HB2 PHE 8 2HB PHE 8 13.191 -4.331 3.887 47 HB3 PHE 8 3HB PHE 8 14.282 -5.111 5.027 48 HD1 PHE 8 HD1 PHE 8 13.361 -7.841 5.120 49 HD2 PHE 8 HD2 PHE 8 13.624 -5.192 1.799 50 HE1 PHE 8 HE1 PHE 8 13.570 -9.768 3.603 51 HE2 PHE 8 HE2 PHE 8 13.832 -7.114 0.277 52 HZ PHE 8 HZ PHE 8 13.804 -9.406 1.179 53 H ARG 9 H ARG 9 11.333 -3.062 4.837 54 HA ARG 9 HA ARG 9 12.472 -1.441 6.806 55 HB2 ARG 9 2HB ARG 9 10.888 0.267 6.097 56 HB3 ARG 9 3HB ARG 9 11.536 -0.580 4.699 57 HG2 ARG 9 2HG ARG 9 9.511 -1.856 4.467 58 HG3 ARG 9 3HG ARG 9 8.866 -1.165 5.958 59 HD2 ARG 9 2HD ARG 9 9.388 1.094 4.620 60 HD3 ARG 9 3HD ARG 9 9.100 0.016 3.255 61 HE ARG 9 HE ARG 9 7.023 -0.360 5.067 62 HH11 ARG 9 2HH1 ARG 9 8.288 2.168 3.034 63 HH12 ARG 9 1HH1 ARG 9 6.750 2.934 2.808 64 HH21 ARG 9 2HH2 ARG 9 4.994 0.640 4.777 65 HH22 ARG 9 1HH2 ARG 9 4.877 2.065 3.801 66 H ALA 10 H ALA 10 9.458 -3.242 6.760 67 HA ALA 10 HA ALA 10 8.373 -2.059 9.119 68 HB1 ALA 10 1HB ALA 10 7.462 -3.803 7.133 69 HB2 ALA 10 2HB ALA 10 7.374 -4.714 8.642 70 HB3 ALA 10 3HB ALA 10 6.548 -3.162 8.499 71 H ILE 11 H ILE 11 10.425 -4.824 8.453 72 HA ILE 11 HA ILE 11 10.230 -6.231 10.826 73 HB ILE 11 HB ILE 11 12.656 -5.783 9.088 74 HG12 ILE 11 2HG1 ILE 11 10.772 -6.903 7.981 75 HG13 ILE 11 3HG1 ILE 11 12.116 -8.014 8.217 76 HG21 ILE 11 1HG2 ILE 11 13.554 -7.827 10.185 77 HG22 ILE 11 2HG2 ILE 11 13.436 -6.435 11.259 78 HG23 ILE 11 3HG2 ILE 11 12.238 -7.725 11.354 79 HD11 ILE 11 3HD1 ILE 11 10.767 -9.419 9.252 80 HD12 ILE 11 1HD1 ILE 11 10.421 -8.200 10.478 81 HD13 ILE 11 2HD1 ILE 11 9.424 -8.299 9.026 82 H GLU 12 H GLU 12 12.369 -3.496 10.064 83 HA GLU 12 HA GLU 12 13.723 -3.394 12.508 84 HB2 GLU 12 2HB GLU 12 14.387 -2.158 10.457 85 HB3 GLU 12 3HB GLU 12 13.029 -1.070 10.705 86 HG2 GLU 12 2HG GLU 12 14.066 -0.601 12.996 87 HG3 GLU 12 3HG GLU 12 15.515 -1.365 12.345 88 H ARG 13 H ARG 13 10.571 -2.227 11.573 89 HA ARG 13 HA ARG 13 10.194 -0.554 13.866 90 HB2 ARG 13 2HB ARG 13 8.962 -0.694 11.475 91 HB3 ARG 13 3HB ARG 13 7.831 -1.632 12.441 92 HG2 ARG 13 2HG ARG 13 6.969 0.492 12.615 93 HG3 ARG 13 3HG ARG 13 7.955 0.380 14.074 94 HD2 ARG 13 2HD ARG 13 9.819 1.388 12.567 95 HD3 ARG 13 3HD ARG 13 8.473 1.889 11.545 96 HE ARG 13 HE ARG 13 9.253 3.036 14.038 97 HH11 ARG 13 2HH1 ARG 13 6.523 2.390 11.976 98 HH12 ARG 13 1HH1 ARG 13 5.578 3.703 12.597 99 HH21 ARG 13 2HH2 ARG 13 8.018 4.768 14.863 100 HH22 ARG 13 1HH2 ARG 13 6.429 5.055 14.238 101 H ALA 14 H ALA 14 9.654 -3.907 13.106 102 HA ALA 14 HA ALA 14 7.823 -4.510 15.174 103 HB1 ALA 14 1HB ALA 14 8.412 -6.838 14.769 104 HB2 ALA 14 2HB ALA 14 8.175 -5.977 13.248 105 HB3 ALA 14 3HB ALA 14 9.806 -6.331 13.816 106 H ILE 15 H ILE 15 11.358 -4.913 14.972 107 HA ILE 15 HA ILE 15 11.713 -5.910 17.572 108 HB ILE 15 HB ILE 15 13.466 -6.119 15.913 109 HG12 ILE 15 2HG1 ILE 15 15.065 -4.441 17.611 110 HG13 ILE 15 3HG1 ILE 15 13.834 -5.245 18.579 111 HG21 ILE 15 1HG2 ILE 15 14.757 -4.233 15.126 112 HG22 ILE 15 2HG2 ILE 15 13.051 -3.980 14.762 113 HG23 ILE 15 3HG2 ILE 15 13.800 -3.130 16.114 114 HD11 ILE 15 3HD1 ILE 15 14.831 -7.239 16.933 115 HD12 ILE 15 1HD1 ILE 15 16.247 -6.303 17.411 116 HD13 ILE 15 2HD1 ILE 15 15.189 -6.993 18.643 117 H GLN 16 H GLN 16 11.627 -2.620 16.315 118 HA GLN 16 HA GLN 16 12.524 -1.308 18.639 119 HB2 GLN 16 2HB GLN 16 10.944 -0.477 16.236 120 HB3 GLN 16 3HB GLN 16 11.090 0.626 17.598 121 HG2 GLN 16 2HG GLN 16 13.510 0.569 17.410 122 HG3 GLN 16 3HG GLN 16 13.391 -0.580 16.078 123 HE21 GLN 16 1HE2 GLN 16 14.563 2.109 16.193 124 HE22 GLN 16 2HE2 GLN 16 13.775 3.017 14.953 125 H ALA 17 H ALA 17 9.506 -2.757 17.820 126 HA ALA 17 HA ALA 17 7.712 -1.347 19.402 127 HB1 ALA 17 1HB ALA 17 7.405 -4.287 19.346 128 HB2 ALA 17 2HB ALA 17 6.245 -3.014 18.961 129 HB3 ALA 17 3HB ALA 17 7.481 -3.466 17.787 130 H GLU 18 H GLU 18 9.816 -4.068 20.286 131 HA GLU 18 HA GLU 18 10.572 -4.815 22.298 132 HB2 GLU 18 2HB GLU 18 9.604 -2.205 23.461 133 HB3 GLU 18 3HB GLU 18 10.874 -3.251 24.080 134 HG2 GLU 18 2HG GLU 18 11.646 -2.599 21.477 135 HG3 GLU 18 3HG GLU 18 11.037 -1.104 22.184 136 H ASN 19 H ASN 19 7.900 -5.422 21.474 137 HA ASN 19 HA ASN 19 6.768 -6.061 24.095 138 HB2 ASN 19 2HB ASN 19 5.586 -4.043 23.278 139 HB3 ASN 19 3HB ASN 19 5.131 -4.919 21.820 140 HD21 ASN 19 1HD2 ASN 19 2.957 -4.842 22.135 141 HD22 ASN 19 2HD2 ASN 19 2.148 -5.666 23.420 142 H GLU 20 H GLU 20 5.175 -7.814 24.002 143 HA GLU 20 HA GLU 20 5.660 -9.594 21.704 144 HB2 GLU 20 2HB GLU 20 5.164 -11.444 23.414 145 HB3 GLU 20 3HB GLU 20 6.724 -10.638 23.510 146 HG2 GLU 20 2HG GLU 20 5.882 -9.230 25.323 147 HG3 GLU 20 3HG GLU 20 4.326 -10.053 25.233 148 H GLY 21 H GLY 21 3.900 -9.661 20.468 149 HA2 GLY 21 2HA GLY 21 1.398 -10.543 21.549 150 HA3 GLY 21 3HA GLY 21 1.348 -8.853 21.069 151 H ARG 22 H ARG 22 0.666 -8.481 19.075 152 HA ARG 22 HA ARG 22 0.118 -10.563 17.248 153 HB2 ARG 22 2HB ARG 22 -0.593 -8.833 15.732 154 HB3 ARG 22 3HB ARG 22 -1.116 -8.404 17.355 155 HG2 ARG 22 2HG ARG 22 0.949 -6.955 17.499 156 HG3 ARG 22 3HG ARG 22 1.143 -7.228 15.767 157 HD2 ARG 22 2HD ARG 22 -1.505 -6.512 15.996 158 HD3 ARG 22 3HD ARG 22 -0.711 -5.491 17.195 159 HE ARG 22 HE ARG 22 0.748 -5.386 14.801 160 HH11 ARG 22 2HH1 ARG 22 -2.311 -4.373 16.117 161 HH12 ARG 22 1HH1 ARG 22 -2.452 -2.997 15.074 162 HH21 ARG 22 2HH2 ARG 22 0.574 -3.578 13.422 163 HH22 ARG 22 1HH2 ARG 22 -0.811 -2.546 13.541 164 H TYR 23 H TYR 23 2.922 -8.662 17.834 165 HA TYR 23 HA TYR 23 4.187 -8.573 15.387 166 HB2 TYR 23 2HB TYR 23 5.574 -9.207 17.996 167 HB3 TYR 23 3HB TYR 23 6.267 -8.414 16.586 168 HD1 TYR 23 HD2 TYR 23 5.462 -6.111 15.968 169 HD2 TYR 23 HD1 TYR 23 4.430 -7.970 19.653 170 HE1 TYR 23 HE2 TYR 23 4.849 -3.917 16.895 171 HE2 TYR 23 HE1 TYR 23 3.813 -5.781 20.591 172 HH TYR 23 HH TYR 23 3.526 -2.962 18.641 173 H ARG 24 H ARG 24 3.692 -11.302 17.504 174 HA ARG 24 HA ARG 24 5.600 -13.057 16.420 175 HB2 ARG 24 2HB ARG 24 4.571 -13.605 18.509 176 HB3 ARG 24 3HB ARG 24 2.963 -13.562 17.796 177 HG2 ARG 24 2HG ARG 24 4.810 -15.481 16.565 178 HG3 ARG 24 3HG ARG 24 4.386 -15.815 18.245 179 HD2 ARG 24 2HD ARG 24 2.350 -16.506 17.668 180 HD3 ARG 24 3HD ARG 24 2.060 -15.044 16.726 181 HE ARG 24 HE ARG 24 2.536 -16.225 14.829 182 HH11 ARG 24 2HH1 ARG 24 3.760 -17.971 17.581 183 HH12 ARG 24 1HH1 ARG 24 4.200 -19.371 16.661 184 HH21 ARG 24 2HH2 ARG 24 3.111 -18.063 13.607 185 HH22 ARG 24 1HH2 ARG 24 3.831 -19.422 14.401 186 H GLU 25 H GLU 25 2.207 -12.470 15.575 187 HA GLU 25 HA GLU 25 2.177 -14.440 13.496 188 HB2 GLU 25 2HB GLU 25 0.287 -12.189 14.188 189 HB3 GLU 25 3HB GLU 25 -0.001 -13.329 12.881 190 HG2 GLU 25 2HG GLU 25 0.535 -14.947 15.051 191 HG3 GLU 25 3HG GLU 25 -0.411 -13.625 15.732 192 H ALA 26 H ALA 26 2.861 -11.021 13.698 193 HA ALA 26 HA ALA 26 2.592 -10.209 11.076 194 HB1 ALA 26 1HB ALA 26 4.721 -8.769 11.720 195 HB2 ALA 26 2HB ALA 26 3.134 -8.456 12.424 196 HB3 ALA 26 3HB ALA 26 4.334 -9.377 13.330 197 H LEU 27 H LEU 27 5.317 -11.899 12.583 198 HA LEU 27 HA LEU 27 7.140 -11.813 10.505 199 HB2 LEU 27 2HB LEU 27 6.643 -13.564 12.812 200 HB3 LEU 27 3HB LEU 27 7.562 -14.303 11.502 201 HG LEU 27 HG LEU 27 8.311 -11.780 12.980 202 HD11 LEU 27 1HD1 LEU 27 10.136 -14.027 13.117 203 HD12 LEU 27 2HD1 LEU 27 8.558 -14.407 13.806 204 HD13 LEU 27 3HD1 LEU 27 9.473 -13.026 14.410 205 HD21 LEU 27 3HD2 LEU 27 9.537 -13.244 10.668 206 HD22 LEU 27 1HD2 LEU 27 10.515 -12.253 11.751 207 HD23 LEU 27 2HD2 LEU 27 9.195 -11.521 10.838 208 H LYS 28 H LYS 28 4.359 -13.919 10.950 209 HA LYS 28 HA LYS 28 4.837 -15.841 9.020 210 HB2 LYS 28 2HB LYS 28 2.788 -15.332 10.692 211 HB3 LYS 28 3HB LYS 28 2.067 -14.797 9.180 212 HG2 LYS 28 2HG LYS 28 2.342 -16.947 8.197 213 HG3 LYS 28 3HG LYS 28 3.325 -17.503 9.553 214 HD2 LYS 28 2HD LYS 28 0.720 -16.498 10.381 215 HD3 LYS 28 3HD LYS 28 0.605 -17.859 9.263 216 HE2 LYS 28 2HE LYS 28 1.980 -19.217 10.690 217 HE3 LYS 28 3HE LYS 28 2.312 -17.847 11.748 218 HZ1 LYS 28 3HZ LYS 28 -0.434 -18.058 11.628 219 HZ2 LYS 28 1HZ LYS 28 0.564 -18.475 12.930 220 HZ3 LYS 28 2HZ LYS 28 0.123 -19.647 11.793 221 H HIS 29 H HIS 29 3.914 -12.508 8.637 222 HA HIS 29 HA HIS 29 3.132 -12.758 5.884 223 HB2 HIS 29 2HB HIS 29 2.709 -10.864 7.814 224 HB3 HIS 29 3HB HIS 29 3.946 -10.093 6.825 225 HD1 HIS 29 HD1 HIS 29 2.547 -8.384 5.636 226 HD2 HIS 29 HD2 HIS 29 0.960 -12.214 5.365 227 HE1 HIS 29 HE1 HIS 29 0.648 -8.210 3.996 228 H PHE 30 H PHE 30 6.042 -11.828 7.634 229 HA PHE 30 HA PHE 30 7.511 -10.813 5.471 230 HB2 PHE 30 2HB PHE 30 8.108 -10.608 7.907 231 HB3 PHE 30 3HB PHE 30 8.643 -12.284 7.855 232 HD1 PHE 30 HD1 PHE 30 9.289 -8.893 6.565 233 HD2 PHE 30 HD2 PHE 30 10.740 -12.878 6.934 234 HE1 PHE 30 HE1 PHE 30 11.505 -8.155 5.789 235 HE2 PHE 30 HE2 PHE 30 12.958 -12.146 6.160 236 HZ PHE 30 HZ PHE 30 13.343 -9.782 5.587 237 H LEU 31 H LEU 31 7.358 -14.094 6.823 238 HA LEU 31 HA LEU 31 9.158 -15.198 4.904 239 HB2 LEU 31 2HB LEU 31 8.542 -17.341 5.825 240 HB3 LEU 31 3HB LEU 31 8.816 -16.181 7.123 241 HG LEU 31 HG LEU 31 6.149 -15.953 6.866 242 HD11 LEU 31 1HD1 LEU 31 5.368 -17.536 5.499 243 HD12 LEU 31 2HD1 LEU 31 5.711 -18.656 6.817 244 HD13 LEU 31 3HD1 LEU 31 6.886 -18.434 5.521 245 HD21 LEU 31 3HD2 LEU 31 7.951 -17.574 8.553 246 HD22 LEU 31 1HD2 LEU 31 6.235 -17.977 8.625 247 HD23 LEU 31 2HD2 LEU 31 6.773 -16.341 9.004 248 H ASP 32 H ASP 32 5.662 -14.919 5.163 249 HA ASP 32 HA ASP 32 4.806 -16.666 3.221 250 HB2 ASP 32 2HB ASP 32 3.162 -15.523 4.491 251 HB3 ASP 32 3HB ASP 32 3.775 -13.944 4.005 252 H GLY 33 H GLY 33 5.860 -13.297 2.754 253 HA2 GLY 33 2HA GLY 33 5.559 -13.372 -0.081 254 HA3 GLY 33 3HA GLY 33 6.416 -12.145 0.840 255 H GLY 34 H GLY 34 8.119 -14.275 2.092 256 HA2 GLY 34 2HA GLY 34 10.339 -14.077 0.423 257 HA3 GLY 34 3HA GLY 34 10.157 -15.259 1.710 258 H GLU 35 H GLU 35 7.760 -16.432 0.431 259 HA GLU 35 HA GLU 35 8.954 -18.526 -0.943 260 HB2 GLU 35 2HB GLU 35 6.131 -17.499 -0.865 261 HB3 GLU 35 3HB GLU 35 6.562 -18.874 -1.871 262 HG2 GLU 35 2HG GLU 35 7.285 -18.855 1.024 263 HG3 GLU 35 3HG GLU 35 5.646 -19.261 0.518 264 H MET 36 H MET 36 8.073 -15.387 -2.054 265 HA MET 36 HA MET 36 7.905 -16.009 -4.834 266 HB2 MET 36 2HB MET 36 8.256 -13.434 -3.310 267 HB3 MET 36 3HB MET 36 8.234 -13.484 -5.068 268 HG2 MET 36 2HG MET 36 5.994 -14.896 -3.871 269 HG3 MET 36 3HG MET 36 6.057 -13.193 -3.423 270 HE1 MET 36 3HE MET 36 4.220 -15.174 -6.577 271 HE2 MET 36 1HE MET 36 4.097 -15.001 -4.826 272 HE3 MET 36 2HE MET 36 3.322 -13.823 -5.885 273 H ILE 37 H ILE 37 10.489 -15.269 -2.632 274 HA ILE 37 HA ILE 37 12.432 -14.554 -4.586 275 HB ILE 37 HB ILE 37 12.405 -14.258 -1.948 276 HG12 ILE 37 2HG1 ILE 37 14.896 -13.942 -2.071 277 HG13 ILE 37 3HG1 ILE 37 14.856 -14.679 -3.669 278 HG21 ILE 37 1HG2 ILE 37 12.573 -16.807 -1.742 279 HG22 ILE 37 2HG2 ILE 37 14.264 -16.597 -2.191 280 HG23 ILE 37 3HG2 ILE 37 13.637 -15.827 -0.734 281 HD11 ILE 37 3HD1 ILE 37 14.907 -12.174 -3.615 282 HD12 ILE 37 1HD1 ILE 37 13.601 -12.889 -4.560 283 HD13 ILE 37 2HD1 ILE 37 13.272 -12.231 -2.956 284 H VAL 38 H VAL 38 11.251 -17.564 -3.320 285 HA VAL 38 HA VAL 38 13.469 -19.147 -4.231 286 HB VAL 38 HB VAL 38 10.703 -20.116 -3.511 287 HG11 VAL 38 1HG1 VAL 38 11.493 -22.171 -3.818 288 HG12 VAL 38 2HG1 VAL 38 12.938 -21.448 -4.530 289 HG13 VAL 38 3HG1 VAL 38 12.901 -21.837 -2.810 290 HG21 VAL 38 3HG2 VAL 38 11.309 -18.978 -1.585 291 HG22 VAL 38 1HG2 VAL 38 11.919 -20.603 -1.272 292 HG23 VAL 38 2HG2 VAL 38 13.024 -19.332 -1.793 293 H THR 39 H THR 39 10.075 -18.826 -5.276 294 HA THR 39 HA THR 39 10.105 -20.459 -7.482 295 HB THR 39 HB THR 39 8.031 -19.491 -6.813 296 HG1 THR 39 HG1 THR 39 8.351 -19.840 -9.115 297 HG21 THR 39 3HG2 THR 39 9.091 -16.784 -7.621 298 HG22 THR 39 1HG2 THR 39 9.019 -17.358 -5.956 299 HG23 THR 39 2HG2 THR 39 7.532 -17.144 -6.880 300 H ALA 40 H ALA 40 11.080 -17.050 -7.316 301 HA ALA 40 HA ALA 40 11.603 -16.625 -10.016 302 HB1 ALA 40 1HB ALA 40 12.628 -15.407 -7.494 303 HB2 ALA 40 2HB ALA 40 13.374 -14.972 -9.032 304 HB3 ALA 40 3HB ALA 40 11.652 -14.689 -8.776 305 H ALA 41 H ALA 41 13.617 -18.078 -7.512 306 HA ALA 41 HA ALA 41 15.949 -18.273 -9.162 307 HB1 ALA 41 1HB ALA 41 15.277 -18.760 -6.427 308 HB2 ALA 41 2HB ALA 41 16.110 -20.169 -7.084 309 HB3 ALA 41 3HB ALA 41 16.868 -18.578 -7.167 310 H GLU 42 H GLU 42 13.528 -20.621 -8.016 311 HA GLU 42 HA GLU 42 14.536 -22.893 -9.241 312 HB2 GLU 42 2HB GLU 42 11.766 -22.037 -8.478 313 HB3 GLU 42 3HB GLU 42 12.009 -23.546 -9.346 314 HG2 GLU 42 2HG GLU 42 13.867 -23.521 -7.234 315 HG3 GLU 42 3HG GLU 42 12.324 -22.993 -6.566 316 H LYS 43 H LYS 43 12.065 -20.666 -10.523 317 HA LYS 43 HA LYS 43 11.690 -21.848 -12.997 318 HB2 LYS 43 2HB LYS 43 11.151 -19.261 -11.785 319 HB3 LYS 43 3HB LYS 43 11.514 -19.114 -13.499 320 HG2 LYS 43 2HG LYS 43 9.343 -19.534 -13.789 321 HG3 LYS 43 3HG LYS 43 9.784 -21.216 -13.484 322 HD2 LYS 43 2HD LYS 43 9.407 -20.679 -11.013 323 HD3 LYS 43 3HD LYS 43 8.608 -19.210 -11.580 324 HE2 LYS 43 2HE LYS 43 7.853 -22.035 -12.325 325 HE3 LYS 43 3HE LYS 43 7.004 -21.015 -11.165 326 HZ1 LYS 43 3HZ LYS 43 7.132 -20.776 -14.096 327 HZ2 LYS 43 1HZ LYS 43 6.834 -19.401 -13.155 328 HZ3 LYS 43 2HZ LYS 43 5.782 -20.723 -13.077 329 H GLU 44 H GLU 44 14.330 -19.891 -11.854 330 HA GLU 44 HA GLU 44 15.463 -19.731 -14.553 331 HB2 GLU 44 2HB GLU 44 16.467 -18.450 -12.006 332 HB3 GLU 44 3HB GLU 44 17.031 -18.124 -13.639 333 HG2 GLU 44 2HG GLU 44 14.184 -17.656 -12.834 334 HG3 GLU 44 3HG GLU 44 15.440 -16.447 -12.569 335 H ALA 45 H ALA 45 18.133 -19.659 -14.047 336 HA ALA 45 HA ALA 45 19.147 -21.659 -12.361 337 HB1 ALA 45 1HB ALA 45 18.040 -22.603 -14.892 338 HB2 ALA 45 2HB ALA 45 19.711 -23.097 -14.622 339 HB3 ALA 45 3HB ALA 45 18.470 -23.500 -13.436 340 H SER 46 H SER 46 19.517 -20.187 -15.570 341 HA SER 46 HA SER 46 22.414 -20.098 -15.219 342 HB2 SER 46 2HB SER 46 20.603 -19.496 -17.559 343 HB3 SER 46 3HB SER 46 22.330 -19.140 -17.582 344 HG SER 46 HG SER 46 21.242 -21.703 -17.042 345 H GLN 47 H GLN 47 20.960 -18.506 -13.433 346 HA GLN 47 HA GLN 47 21.674 -15.806 -14.368 347 HB2 GLN 47 2HB GLN 47 19.157 -16.425 -13.969 348 HB3 GLN 47 3HB GLN 47 19.579 -16.231 -12.272 349 HG2 GLN 47 2HG GLN 47 18.837 -14.133 -12.774 350 HG3 GLN 47 3HG GLN 47 20.563 -13.952 -13.081 351 HE21 GLN 47 1HE2 GLN 47 17.414 -13.916 -14.418 352 HE22 GLN 47 2HE2 GLN 47 17.859 -13.504 -16.036 353 H LYS 48 H LYS 48 22.926 -14.583 -13.057 354 HA LYS 48 HA LYS 48 24.351 -15.862 -10.955 355 HB2 LYS 48 2HB LYS 48 24.282 -12.911 -11.602 356 HB3 LYS 48 3HB LYS 48 25.536 -13.771 -10.718 357 HG2 LYS 48 2HG LYS 48 25.672 -15.157 -12.961 358 HG3 LYS 48 3HG LYS 48 24.993 -13.673 -13.633 359 HD2 LYS 48 2HD LYS 48 27.471 -13.794 -11.917 360 HD3 LYS 48 3HD LYS 48 27.479 -13.752 -13.681 361 HE2 LYS 48 2HE LYS 48 27.249 -11.541 -13.676 362 HE3 LYS 48 3HE LYS 48 25.812 -11.653 -12.662 363 HZ1 LYS 48 3HZ LYS 48 27.837 -10.365 -11.794 364 HZ2 LYS 48 1HZ LYS 48 28.501 -11.889 -11.476 365 HZ3 LYS 48 2HZ LYS 48 27.050 -11.427 -10.739 366 H VAL 49 H VAL 49 21.682 -13.581 -11.071 367 HA VAL 49 HA VAL 49 21.698 -13.026 -8.261 368 HB VAL 49 HB VAL 49 19.610 -11.871 -8.627 369 HG11 VAL 49 1HG1 VAL 49 21.126 -11.247 -11.119 370 HG12 VAL 49 2HG1 VAL 49 20.420 -10.154 -9.927 371 HG13 VAL 49 3HG1 VAL 49 21.907 -11.026 -9.553 372 HG21 VAL 49 3HG2 VAL 49 18.176 -12.902 -10.013 373 HG22 VAL 49 1HG2 VAL 49 18.985 -11.975 -11.277 374 HG23 VAL 49 2HG2 VAL 49 19.469 -13.641 -10.959 375 H ARG 50 H ARG 50 20.178 -15.380 -10.340 376 HA ARG 50 HA ARG 50 18.056 -16.260 -8.836 377 HB2 ARG 50 2HB ARG 50 18.419 -17.212 -10.988 378 HB3 ARG 50 3HB ARG 50 20.010 -17.807 -10.533 379 HG2 ARG 50 2HG ARG 50 17.980 -18.878 -8.793 380 HG3 ARG 50 3HG ARG 50 17.607 -19.207 -10.486 381 HD2 ARG 50 2HD ARG 50 18.986 -20.957 -10.234 382 HD3 ARG 50 3HD ARG 50 20.270 -19.759 -10.396 383 HE ARG 50 HE ARG 50 19.629 -19.801 -7.722 384 HH11 ARG 50 2HH1 ARG 50 20.756 -22.100 -10.082 385 HH12 ARG 50 1HH1 ARG 50 21.623 -23.057 -8.927 386 HH21 ARG 50 2HH2 ARG 50 20.766 -21.053 -6.192 387 HH22 ARG 50 1HH2 ARG 50 21.627 -22.462 -6.714 388 H ASN 51 H ASN 51 21.431 -17.375 -8.586 389 HA ASN 51 HA ASN 51 21.004 -19.135 -6.432 390 HB2 ASN 51 2HB ASN 51 23.041 -18.936 -8.009 391 HB3 ASN 51 3HB ASN 51 23.604 -17.692 -6.897 392 HD21 ASN 51 1HD2 ASN 51 24.765 -20.280 -7.528 393 HD22 ASN 51 2HD2 ASN 51 24.876 -21.137 -6.032 394 H LEU 52 H LEU 52 21.451 -15.696 -6.585 395 HA LEU 52 HA LEU 52 22.091 -15.376 -3.802 396 HB2 LEU 52 2HB LEU 52 22.617 -13.824 -5.831 397 HB3 LEU 52 3HB LEU 52 21.007 -13.181 -5.515 398 HG LEU 52 HG LEU 52 21.705 -12.551 -3.253 399 HD11 LEU 52 1HD1 LEU 52 24.167 -12.619 -2.752 400 HD12 LEU 52 2HD1 LEU 52 24.337 -13.725 -4.115 401 HD13 LEU 52 3HD1 LEU 52 23.346 -14.180 -2.729 402 HD21 LEU 52 3HD2 LEU 52 23.160 -10.716 -3.871 403 HD22 LEU 52 1HD2 LEU 52 21.941 -10.967 -5.121 404 HD23 LEU 52 2HD2 LEU 52 23.593 -11.533 -5.374 405 H LEU 53 H LEU 53 19.202 -15.414 -5.752 406 HA LEU 53 HA LEU 53 17.424 -14.136 -4.012 407 HB2 LEU 53 2HB LEU 53 17.030 -16.307 -6.054 408 HB3 LEU 53 3HB LEU 53 15.690 -15.598 -5.155 409 HG LEU 53 HG LEU 53 17.551 -14.046 -6.953 410 HD11 LEU 53 1HD1 LEU 53 14.808 -15.181 -7.465 411 HD12 LEU 53 2HD1 LEU 53 16.304 -15.566 -8.316 412 HD13 LEU 53 3HD1 LEU 53 15.586 -13.963 -8.477 413 HD21 LEU 53 3HD2 LEU 53 16.169 -13.015 -4.947 414 HD22 LEU 53 1HD2 LEU 53 14.856 -13.112 -6.121 415 HD23 LEU 53 2HD2 LEU 53 16.310 -12.187 -6.499 416 H LEU 54 H LEU 54 18.319 -17.563 -4.267 417 HA LEU 54 HA LEU 54 16.642 -18.350 -2.080 418 HB2 LEU 54 2HB LEU 54 18.952 -19.905 -3.210 419 HB3 LEU 54 3HB LEU 54 17.531 -20.525 -2.373 420 HG LEU 54 HG LEU 54 16.756 -19.106 -4.757 421 HD11 LEU 54 1HD1 LEU 54 18.719 -19.596 -5.865 422 HD12 LEU 54 2HD1 LEU 54 17.722 -20.999 -6.250 423 HD13 LEU 54 3HD1 LEU 54 18.956 -21.113 -4.996 424 HD21 LEU 54 3HD2 LEU 54 15.318 -20.674 -3.647 425 HD22 LEU 54 1HD2 LEU 54 16.512 -21.961 -3.821 426 HD23 LEU 54 2HD2 LEU 54 15.708 -21.307 -5.248 427 H HIS 55 H HIS 55 20.093 -17.711 -2.514 428 HA HIS 55 HA HIS 55 20.970 -18.519 0.019 429 HB2 HIS 55 2HB HIS 55 22.518 -18.054 -1.814 430 HB3 HIS 55 3HB HIS 55 22.074 -16.350 -1.778 431 HD1 HIS 55 HD1 HIS 55 23.599 -18.920 0.579 432 HD2 HIS 55 HD2 HIS 55 23.728 -14.851 -0.251 433 HE1 HIS 55 HE1 HIS 55 25.377 -17.982 2.090 434 H LYS 56 H LYS 56 20.042 -15.279 -1.131 435 HA LYS 56 HA LYS 56 20.258 -14.118 1.481 436 HB2 LYS 56 2HB LYS 56 19.233 -13.149 -1.173 437 HB3 LYS 56 3HB LYS 56 19.005 -12.193 0.285 438 HG2 LYS 56 2HG LYS 56 21.635 -12.691 0.478 439 HG3 LYS 56 3HG LYS 56 21.446 -12.718 -1.277 440 HD2 LYS 56 2HD LYS 56 20.156 -10.496 0.210 441 HD3 LYS 56 3HD LYS 56 21.916 -10.472 0.073 442 HE2 LYS 56 2HE LYS 56 20.974 -9.230 -1.758 443 HE3 LYS 56 3HE LYS 56 21.678 -10.721 -2.383 444 HZ1 LYS 56 3HZ LYS 56 19.327 -9.970 -3.141 445 HZ2 LYS 56 1HZ LYS 56 18.825 -10.665 -1.682 446 HZ3 LYS 56 2HZ LYS 56 19.629 -11.606 -2.835 447 H GLY 57 H GLY 57 17.672 -15.449 -0.484 448 HA2 GLY 57 2HA GLY 57 15.487 -14.466 0.998 449 HA3 GLY 57 3HA GLY 57 15.472 -15.902 -0.016 450 H LYS 58 H LYS 58 17.412 -17.414 1.355 451 HA LYS 58 HA LYS 58 15.794 -18.467 3.466 452 HB2 LYS 58 2HB LYS 58 16.893 -20.246 2.626 453 HB3 LYS 58 3HB LYS 58 18.208 -19.257 2.005 454 HG2 LYS 58 2HG LYS 58 18.013 -19.769 4.936 455 HG3 LYS 58 3HG LYS 58 18.654 -21.018 3.866 456 HD2 LYS 58 2HD LYS 58 19.825 -18.479 3.219 457 HD3 LYS 58 3HD LYS 58 20.014 -18.806 4.943 458 HE2 LYS 58 2HE LYS 58 21.899 -19.665 3.621 459 HE3 LYS 58 3HE LYS 58 21.028 -20.953 4.452 460 HZ1 LYS 58 3HZ LYS 58 19.952 -20.505 1.863 461 HZ2 LYS 58 1HZ LYS 58 20.584 -21.927 2.527 462 HZ3 LYS 58 2HZ LYS 58 21.612 -20.819 1.767 463 H GLU 59 H GLU 59 18.618 -16.419 3.270 464 HA GLU 59 HA GLU 59 19.296 -16.619 6.046 465 HB2 GLU 59 2HB GLU 59 20.968 -16.035 4.338 466 HB3 GLU 59 3HB GLU 59 20.096 -14.548 3.994 467 HG2 GLU 59 2HG GLU 59 22.149 -14.403 5.492 468 HG3 GLU 59 3HG GLU 59 20.682 -13.585 6.028 469 H VAL 60 H VAL 60 17.910 -13.987 4.076 470 HA VAL 60 HA VAL 60 17.360 -12.190 6.098 471 HB VAL 60 HB VAL 60 15.639 -11.235 4.655 472 HG11 VAL 60 1HG1 VAL 60 17.368 -10.347 3.584 473 HG12 VAL 60 2HG1 VAL 60 18.341 -11.790 3.877 474 HG13 VAL 60 3HG1 VAL 60 17.313 -11.693 2.447 475 HG21 VAL 60 3HG2 VAL 60 15.801 -13.909 3.341 476 HG22 VAL 60 1HG2 VAL 60 14.385 -12.946 3.764 477 HG23 VAL 60 2HG2 VAL 60 15.375 -12.496 2.375 478 H LEU 61 H LEU 61 15.622 -15.083 5.186 479 HA LEU 61 HA LEU 61 13.278 -14.504 6.721 480 HB2 LEU 61 2HB LEU 61 14.215 -16.587 4.962 481 HB3 LEU 61 3HB LEU 61 13.463 -17.274 6.400 482 HG LEU 61 HG LEU 61 11.561 -15.524 5.765 483 HD11 LEU 61 1HD1 LEU 61 12.807 -16.220 3.109 484 HD12 LEU 61 2HD1 LEU 61 12.789 -14.619 3.849 485 HD13 LEU 61 3HD1 LEU 61 11.276 -15.380 3.357 486 HD21 LEU 61 3HD2 LEU 61 12.041 -18.322 5.336 487 HD22 LEU 61 1HD2 LEU 61 11.045 -17.668 4.036 488 HD23 LEU 61 2HD2 LEU 61 10.532 -17.490 5.714 489 H GLU 62 H GLU 62 16.312 -16.154 7.305 490 HA GLU 62 HA GLU 62 15.463 -17.242 9.838 491 HB2 GLU 62 2HB GLU 62 17.969 -17.270 8.227 492 HB3 GLU 62 3HB GLU 62 18.103 -17.563 9.956 493 HG2 GLU 62 2HG GLU 62 16.285 -19.326 9.612 494 HG3 GLU 62 3HG GLU 62 16.644 -19.170 7.893 495 H TRP 63 H TRP 63 17.199 -14.432 8.686 496 HA TRP 63 HA TRP 63 18.149 -13.633 11.270 497 HB2 TRP 63 2HB TRP 63 19.119 -13.012 8.962 498 HB3 TRP 63 3HB TRP 63 17.845 -11.797 8.904 499 HD1 TRP 63 HD1 TRP 63 20.105 -12.741 11.913 500 HE1 TRP 63 HE1 TRP 63 21.301 -10.604 12.705 501 HE3 TRP 63 HE3 TRP 63 18.406 -9.494 8.349 502 HZ2 TRP 63 HZ2 TRP 63 21.497 -7.899 11.922 503 HZ3 TRP 63 HZ3 TRP 63 19.145 -7.149 8.441 504 HH2 TRP 63 HH2 TRP 63 20.659 -6.370 10.192 505 H ALA 64 H ALA 64 15.524 -12.559 9.128 506 HA ALA 64 HA ALA 64 14.521 -10.463 10.610 507 HB1 ALA 64 1HB ALA 64 13.700 -11.001 8.392 508 HB2 ALA 64 2HB ALA 64 12.967 -12.485 9.001 509 HB3 ALA 64 3HB ALA 64 12.359 -10.918 9.534 510 H GLU 65 H GLU 65 14.106 -13.913 11.115 511 HA GLU 65 HA GLU 65 12.091 -13.619 13.136 512 HB2 GLU 65 2HB GLU 65 13.843 -15.993 12.474 513 HB3 GLU 65 3HB GLU 65 12.425 -16.024 13.512 514 HG2 GLU 65 2HG GLU 65 10.965 -15.644 11.714 515 HG3 GLU 65 3HG GLU 65 12.280 -15.156 10.646 516 H HIS 66 H HIS 66 15.579 -13.850 13.062 517 HA HIS 66 HA HIS 66 16.068 -14.467 15.746 518 HB2 HIS 66 2HB HIS 66 17.597 -13.704 13.477 519 HB3 HIS 66 3HB HIS 66 18.065 -12.648 14.807 520 HD1 HIS 66 HD1 HIS 66 18.276 -14.336 17.176 521 HD2 HIS 66 HD2 HIS 66 19.289 -15.795 13.421 522 HE1 HIS 66 HE1 HIS 66 19.807 -16.284 17.603 523 H LEU 67 H LEU 67 16.022 -11.263 14.177 524 HA LEU 67 HA LEU 67 16.216 -9.841 16.633 525 HB2 LEU 67 2HB LEU 67 15.852 -7.866 15.332 526 HB3 LEU 67 3HB LEU 67 16.928 -8.943 14.444 527 HG LEU 67 HG LEU 67 14.579 -9.650 13.348 528 HD11 LEU 67 1HD1 LEU 67 13.050 -7.931 13.162 529 HD12 LEU 67 2HD1 LEU 67 14.216 -6.699 13.641 530 HD13 LEU 67 3HD1 LEU 67 13.551 -7.799 14.848 531 HD21 LEU 67 3HD2 LEU 67 15.215 -7.606 11.722 532 HD22 LEU 67 1HD2 LEU 67 16.113 -9.122 11.780 533 HD23 LEU 67 2HD2 LEU 67 16.700 -7.716 12.668 534 H ALA 68 H ALA 68 13.535 -10.798 14.552 535 HA ALA 68 HA ALA 68 11.508 -9.317 15.814 536 HB1 ALA 68 1HB ALA 68 11.379 -11.916 14.294 537 HB2 ALA 68 2HB ALA 68 9.966 -10.990 14.801 538 HB3 ALA 68 3HB ALA 68 11.116 -10.291 13.661 539 H GLU 69 H GLU 69 13.118 -12.264 16.698 540 HA GLU 69 HA GLU 69 11.123 -13.072 18.615 541 HB2 GLU 69 2HB GLU 69 13.852 -14.064 17.858 542 HB3 GLU 69 3HB GLU 69 13.074 -14.644 19.324 543 HG2 GLU 69 2HG GLU 69 11.214 -14.795 17.171 544 HG3 GLU 69 3HG GLU 69 12.728 -15.555 16.682 545 H TRP 70 H TRP 70 13.905 -11.040 18.576 546 HA TRP 70 HA TRP 70 14.845 -11.091 21.147 547 HB2 TRP 70 2HB TRP 70 15.712 -9.653 19.294 548 HB3 TRP 70 3HB TRP 70 14.351 -8.566 19.558 549 HD1 TRP 70 HD1 TRP 70 14.297 -7.301 22.013 550 HE1 TRP 70 HE1 TRP 70 16.256 -6.511 23.484 551 HE3 TRP 70 HE3 TRP 70 18.035 -10.136 19.979 552 HZ2 TRP 70 HZ2 TRP 70 19.020 -7.022 23.747 553 HZ3 TRP 70 HZ3 TRP 70 20.308 -9.925 20.898 554 HH2 TRP 70 HH2 TRP 70 20.788 -8.399 22.743 555 H ILE 71 H ILE 71 12.111 -9.138 19.963 556 HA ILE 71 HA ILE 71 11.394 -7.882 22.306 557 HB ILE 71 HB ILE 71 9.021 -7.960 21.410 558 HG12 ILE 71 2HG1 ILE 71 9.701 -8.733 18.750 559 HG13 ILE 71 3HG1 ILE 71 10.176 -10.038 19.832 560 HG21 ILE 71 1HG2 ILE 71 9.452 -6.247 19.929 561 HG22 ILE 71 2HG2 ILE 71 10.943 -6.287 20.868 562 HG23 ILE 71 3HG2 ILE 71 10.887 -7.033 19.271 563 HD11 ILE 71 3HD1 ILE 71 7.486 -9.002 19.168 564 HD12 ILE 71 1HD1 ILE 71 8.039 -10.658 19.420 565 HD13 ILE 71 2HD1 ILE 71 7.753 -9.603 20.804 566 H LEU 72 H LEU 72 10.739 -11.181 21.297 567 HA LEU 72 HA LEU 72 8.889 -11.775 23.378 568 HB2 LEU 72 2HB LEU 72 10.610 -13.777 21.947 569 HB3 LEU 72 3HB LEU 72 9.016 -14.019 22.659 570 HG LEU 72 HG LEU 72 9.494 -12.260 20.262 571 HD11 LEU 72 1HD1 LEU 72 10.204 -14.495 19.680 572 HD12 LEU 72 2HD1 LEU 72 8.652 -14.143 18.919 573 HD13 LEU 72 3HD1 LEU 72 8.719 -15.172 20.351 574 HD21 LEU 72 3HD2 LEU 72 7.078 -13.375 21.647 575 HD22 LEU 72 1HD2 LEU 72 7.021 -12.856 19.962 576 HD23 LEU 72 2HD2 LEU 72 7.442 -11.701 21.228 577 H GLU 73 H GLU 73 12.353 -12.450 22.933 578 HA GLU 73 HA GLU 73 12.777 -13.829 25.322 579 HB2 GLU 73 2HB GLU 73 14.412 -13.724 23.478 580 HB3 GLU 73 3HB GLU 73 14.711 -12.032 23.850 581 HG2 GLU 73 2HG GLU 73 15.427 -12.778 26.143 582 HG3 GLU 73 3HG GLU 73 15.362 -14.431 25.534 583 H HIS 74 H HIS 74 12.454 -10.424 24.681 584 HA HIS 74 HA HIS 74 13.313 -9.733 27.388 585 HB2 HIS 74 2HB HIS 74 14.030 -8.408 25.335 586 HB3 HIS 74 3HB HIS 74 12.370 -7.828 25.246 587 HD1 HIS 74 HD1 HIS 74 14.215 -5.624 25.592 588 HD2 HIS 74 HD2 HIS 74 12.949 -7.844 28.868 589 HE1 HIS 74 HE1 HIS 74 14.587 -4.145 27.591 Start of MODEL 17 1 H1 MET 1 H MET 1 3.363 -2.843 -0.599 2 HA MET 1 HA MET 1 4.020 -1.887 -3.308 3 HB2 MET 1 2HB MET 1 5.314 -1.364 -0.847 4 HB3 MET 1 3HB MET 1 6.372 -2.433 -1.758 5 HG2 MET 1 2HG MET 1 6.950 -0.825 -3.178 6 HG3 MET 1 3HG MET 1 5.284 -0.289 -3.383 7 HE1 MET 1 3HE MET 1 7.662 1.623 -3.539 8 HE2 MET 1 1HE MET 1 6.061 2.361 -3.515 9 HE3 MET 1 2HE MET 1 7.323 2.960 -2.439 10 H GLY 2 H GLY 2 4.849 -3.310 -4.752 11 HA2 GLY 2 2HA GLY 2 4.995 -6.112 -3.875 12 HA3 GLY 2 3HA GLY 2 4.731 -5.570 -5.525 13 H THR 3 H THR 3 7.184 -5.367 -2.949 14 HA THR 3 HA THR 3 9.218 -6.301 -4.776 15 HB THR 3 HB THR 3 9.272 -3.942 -5.328 16 HG1 THR 3 HG1 THR 3 11.297 -5.028 -5.127 17 HG21 THR 3 3HG2 THR 3 9.775 -3.408 -2.400 18 HG22 THR 3 1HG2 THR 3 8.233 -3.138 -3.212 19 HG23 THR 3 2HG2 THR 3 9.657 -2.214 -3.693 20 H ILE 4 H ILE 4 11.090 -7.027 -3.734 21 HA ILE 4 HA ILE 4 10.820 -8.127 -1.221 22 HB ILE 4 HB ILE 4 13.395 -7.326 -2.580 23 HG12 ILE 4 2HG1 ILE 4 12.057 -8.804 -3.973 24 HG13 ILE 4 3HG1 ILE 4 13.430 -9.692 -3.322 25 HG21 ILE 4 1HG2 ILE 4 12.911 -8.410 0.011 26 HG22 ILE 4 2HG2 ILE 4 13.705 -9.633 -0.981 27 HG23 ILE 4 3HG2 ILE 4 14.451 -8.050 -0.768 28 HD11 ILE 4 3HD1 ILE 4 10.640 -10.252 -3.100 29 HD12 ILE 4 1HD1 ILE 4 12.020 -11.229 -2.600 30 HD13 ILE 4 2HD1 ILE 4 11.335 -10.039 -1.493 31 H ASP 5 H ASP 5 12.316 -5.043 -2.115 32 HA ASP 5 HA ASP 5 13.388 -4.291 0.314 33 HB2 ASP 5 2HB ASP 5 13.423 -3.087 -1.985 34 HB3 ASP 5 3HB ASP 5 11.953 -2.298 -1.419 35 H ASP 6 H ASP 6 10.053 -4.360 -0.692 36 HA ASP 6 HA ASP 6 8.948 -2.683 1.270 37 HB2 ASP 6 2HB ASP 6 7.827 -3.690 -0.813 38 HB3 ASP 6 3HB ASP 6 7.553 -5.120 0.180 39 H ALA 7 H ALA 7 9.825 -6.088 1.319 40 HA ALA 7 HA ALA 7 8.576 -6.778 3.746 41 HB1 ALA 7 1HB ALA 7 10.984 -7.949 2.367 42 HB2 ALA 7 2HB ALA 7 10.206 -8.666 3.778 43 HB3 ALA 7 3HB ALA 7 9.313 -8.504 2.265 44 H PHE 8 H PHE 8 11.914 -5.753 3.055 45 HA PHE 8 HA PHE 8 12.849 -5.853 5.696 46 HB2 PHE 8 2HB PHE 8 13.811 -3.917 3.589 47 HB3 PHE 8 3HB PHE 8 14.727 -4.587 4.934 48 HD1 PHE 8 HD1 PHE 8 14.051 -7.437 4.752 49 HD2 PHE 8 HD2 PHE 8 14.942 -4.615 1.692 50 HE1 PHE 8 HE1 PHE 8 14.844 -9.262 3.304 51 HE2 PHE 8 HE2 PHE 8 15.735 -6.435 0.240 52 HZ PHE 8 HZ PHE 8 15.686 -8.762 1.044 53 H ARG 9 H ARG 9 11.055 -3.412 3.952 54 HA ARG 9 HA ARG 9 11.438 -1.364 5.931 55 HB2 ARG 9 2HB ARG 9 9.654 -1.626 3.520 56 HB3 ARG 9 3HB ARG 9 9.531 -0.258 4.618 57 HG2 ARG 9 2HG ARG 9 11.980 0.153 4.197 58 HG3 ARG 9 3HG ARG 9 11.871 -1.048 2.909 59 HD2 ARG 9 2HD ARG 9 11.358 0.718 1.619 60 HD3 ARG 9 3HD ARG 9 9.752 0.538 2.322 61 HE ARG 9 HE ARG 9 11.220 2.167 4.027 62 HH11 ARG 9 2HH1 ARG 9 10.017 2.235 0.761 63 HH12 ARG 9 1HH1 ARG 9 9.860 3.960 0.716 64 HH21 ARG 9 2HH2 ARG 9 11.018 4.439 3.980 65 HH22 ARG 9 1HH2 ARG 9 10.431 5.212 2.547 66 H ALA 10 H ALA 10 9.039 -3.821 5.237 67 HA ALA 10 HA ALA 10 7.085 -2.809 7.074 68 HB1 ALA 10 1HB ALA 10 6.850 -5.639 6.471 69 HB2 ALA 10 2HB ALA 10 5.739 -4.312 6.128 70 HB3 ALA 10 3HB ALA 10 7.069 -4.657 5.022 71 H ILE 11 H ILE 11 9.836 -4.913 7.277 72 HA ILE 11 HA ILE 11 9.284 -6.468 9.481 73 HB ILE 11 HB ILE 11 11.434 -6.317 8.018 74 HG12 ILE 11 2HG1 ILE 11 12.756 -7.352 9.931 75 HG13 ILE 11 3HG1 ILE 11 11.380 -6.976 10.963 76 HG21 ILE 11 1HG2 ILE 11 12.462 -4.758 10.359 77 HG22 ILE 11 2HG2 ILE 11 13.210 -5.027 8.785 78 HG23 ILE 11 3HG2 ILE 11 11.830 -3.939 8.930 79 HD11 ILE 11 3HD1 ILE 11 11.602 -8.959 8.751 80 HD12 ILE 11 1HD1 ILE 11 10.978 -9.162 10.387 81 HD13 ILE 11 2HD1 ILE 11 10.027 -8.292 9.183 82 H GLU 12 H GLU 12 9.935 -3.052 9.335 83 HA GLU 12 HA GLU 12 10.699 -2.517 11.947 84 HB2 GLU 12 2HB GLU 12 10.590 -0.886 10.026 85 HB3 GLU 12 3HB GLU 12 8.857 -0.783 10.300 86 HG2 GLU 12 2HG GLU 12 9.158 0.730 11.879 87 HG3 GLU 12 3HG GLU 12 10.212 -0.364 12.773 88 H ARG 13 H ARG 13 7.560 -3.304 10.648 89 HA ARG 13 HA ARG 13 5.991 -2.436 12.830 90 HB2 ARG 13 2HB ARG 13 5.492 -3.533 10.342 91 HB3 ARG 13 3HB ARG 13 4.967 -4.797 11.447 92 HG2 ARG 13 2HG ARG 13 3.034 -3.615 11.257 93 HG3 ARG 13 3HG ARG 13 3.755 -2.782 12.635 94 HD2 ARG 13 2HD ARG 13 4.750 -1.163 10.962 95 HD3 ARG 13 3HD ARG 13 3.698 -1.907 9.758 96 HE ARG 13 HE ARG 13 2.050 -1.212 11.844 97 HH11 ARG 13 2HH1 ARG 13 4.241 0.450 9.708 98 HH12 ARG 13 1HH1 ARG 13 3.358 1.940 9.751 99 HH21 ARG 13 2HH2 ARG 13 0.880 0.744 11.909 100 HH22 ARG 13 1HH2 ARG 13 1.447 2.107 11.004 101 H ALA 14 H ALA 14 7.716 -5.422 12.156 102 HA ALA 14 HA ALA 14 6.600 -7.020 14.176 103 HB1 ALA 14 1HB ALA 14 8.363 -8.520 13.795 104 HB2 ALA 14 2HB ALA 14 8.098 -7.728 12.241 105 HB3 ALA 14 3HB ALA 14 9.452 -7.240 13.261 106 H ILE 15 H ILE 15 9.577 -5.061 14.193 107 HA ILE 15 HA ILE 15 10.096 -5.555 16.961 108 HB ILE 15 HB ILE 15 11.898 -5.019 15.363 109 HG12 ILE 15 2HG1 ILE 15 12.533 -2.810 16.964 110 HG13 ILE 15 3HG1 ILE 15 11.469 -3.800 17.957 111 HG21 ILE 15 1HG2 ILE 15 12.217 -2.788 14.525 112 HG22 ILE 15 2HG2 ILE 15 10.611 -3.349 14.060 113 HG23 ILE 15 3HG2 ILE 15 10.796 -2.214 15.398 114 HD11 ILE 15 3HD1 ILE 15 13.911 -4.263 18.204 115 HD12 ILE 15 1HD1 ILE 15 12.922 -5.665 17.794 116 HD13 ILE 15 2HD1 ILE 15 13.894 -4.878 16.551 117 H GLN 16 H GLN 16 8.461 -3.049 15.137 118 HA GLN 16 HA GLN 16 8.310 -1.094 17.150 119 HB2 GLN 16 2HB GLN 16 6.779 -1.679 14.656 120 HB3 GLN 16 3HB GLN 16 6.113 -0.515 15.794 121 HG2 GLN 16 2HG GLN 16 8.937 -0.088 15.195 122 HG3 GLN 16 3HG GLN 16 7.879 0.047 13.792 123 HE21 GLN 16 1HE2 GLN 16 9.039 1.552 16.591 124 HE22 GLN 16 2HE2 GLN 16 8.036 2.958 16.546 125 H ALA 17 H ALA 17 6.632 -4.071 16.710 126 HA ALA 17 HA ALA 17 4.243 -3.611 18.055 127 HB1 ALA 17 1HB ALA 17 3.960 -5.882 18.073 128 HB2 ALA 17 2HB ALA 17 5.199 -5.732 16.827 129 HB3 ALA 17 3HB ALA 17 5.649 -6.202 18.466 130 H GLU 18 H GLU 18 7.224 -5.011 19.441 131 HA GLU 18 HA GLU 18 7.880 -5.245 21.624 132 HB2 GLU 18 2HB GLU 18 6.973 -2.361 21.603 133 HB3 GLU 18 3HB GLU 18 7.988 -3.083 22.844 134 HG2 GLU 18 2HG GLU 18 9.450 -3.719 20.718 135 HG3 GLU 18 3HG GLU 18 8.648 -2.288 20.074 136 H ASN 19 H ASN 19 6.314 -6.747 22.317 137 HA ASN 19 HA ASN 19 4.642 -5.775 24.447 138 HB2 ASN 19 2HB ASN 19 2.695 -7.228 23.295 139 HB3 ASN 19 3HB ASN 19 2.857 -5.490 23.058 140 HD21 ASN 19 1HD2 ASN 19 2.150 -5.230 21.038 141 HD22 ASN 19 2HD2 ASN 19 2.814 -6.012 19.648 142 H GLU 20 H GLU 20 3.922 -8.696 22.667 143 HA GLU 20 HA GLU 20 5.652 -10.519 23.787 144 HB2 GLU 20 2HB GLU 20 4.055 -11.474 25.584 145 HB3 GLU 20 3HB GLU 20 5.048 -10.082 25.992 146 HG2 GLU 20 2HG GLU 20 3.235 -8.607 25.859 147 HG3 GLU 20 3HG GLU 20 2.236 -9.779 25.003 148 H GLY 21 H GLY 21 5.410 -11.820 22.068 149 HA2 GLY 21 2HA GLY 21 4.393 -13.690 21.063 150 HA3 GLY 21 3HA GLY 21 2.862 -13.218 21.785 151 H ARG 22 H ARG 22 2.879 -10.506 20.899 152 HA ARG 22 HA ARG 22 1.549 -10.695 18.492 153 HB2 ARG 22 2HB ARG 22 2.370 -8.618 20.235 154 HB3 ARG 22 3HB ARG 22 2.859 -8.149 18.612 155 HG2 ARG 22 2HG ARG 22 0.636 -7.309 19.193 156 HG3 ARG 22 3HG ARG 22 0.590 -8.411 17.816 157 HD2 ARG 22 2HD ARG 22 -0.736 -9.847 18.892 158 HD3 ARG 22 3HD ARG 22 0.265 -9.798 20.343 159 HE ARG 22 HE ARG 22 -2.179 -8.414 19.916 160 HH11 ARG 22 2HH1 ARG 22 0.929 -8.142 21.460 161 HH12 ARG 22 1HH1 ARG 22 0.370 -7.055 22.688 162 HH21 ARG 22 2HH2 ARG 22 -2.928 -6.984 21.527 163 HH22 ARG 22 1HH2 ARG 22 -1.824 -6.397 22.726 164 H TYR 23 H TYR 23 4.966 -10.525 19.093 165 HA TYR 23 HA TYR 23 5.900 -9.647 16.620 166 HB2 TYR 23 2HB TYR 23 7.020 -11.289 18.834 167 HB3 TYR 23 3HB TYR 23 7.866 -11.330 17.291 168 HD1 TYR 23 HD2 TYR 23 6.487 -8.916 19.779 169 HD2 TYR 23 HD1 TYR 23 9.438 -9.690 16.814 170 HE1 TYR 23 HE2 TYR 23 7.600 -6.796 20.342 171 HE2 TYR 23 HE1 TYR 23 10.560 -7.573 17.369 172 HH TYR 23 HH TYR 23 10.688 -5.907 18.915 173 H ARG 24 H ARG 24 4.600 -12.725 17.589 174 HA ARG 24 HA ARG 24 5.598 -14.308 15.484 175 HB2 ARG 24 2HB ARG 24 4.614 -15.304 17.474 176 HB3 ARG 24 3HB ARG 24 3.055 -14.586 17.093 177 HG2 ARG 24 2HG ARG 24 4.118 -16.219 14.930 178 HG3 ARG 24 3HG ARG 24 3.866 -17.116 16.429 179 HD2 ARG 24 2HD ARG 24 1.596 -16.757 16.422 180 HD3 ARG 24 3HD ARG 24 1.726 -15.277 15.473 181 HE ARG 24 HE ARG 24 1.487 -16.535 13.588 182 HH11 ARG 24 2HH1 ARG 24 2.533 -18.610 16.181 183 HH12 ARG 24 1HH1 ARG 24 2.397 -20.063 15.248 184 HH21 ARG 24 2HH2 ARG 24 1.304 -18.442 12.349 185 HH22 ARG 24 1HH2 ARG 24 1.699 -19.966 13.068 186 H GLU 25 H GLU 25 2.402 -12.763 15.858 187 HA GLU 25 HA GLU 25 1.550 -13.376 13.226 188 HB2 GLU 25 2HB GLU 25 -0.386 -12.188 13.720 189 HB3 GLU 25 3HB GLU 25 0.151 -12.719 15.307 190 HG2 GLU 25 2HG GLU 25 -0.182 -10.581 15.869 191 HG3 GLU 25 3HG GLU 25 1.405 -10.337 15.140 192 H ALA 26 H ALA 26 3.539 -10.895 14.539 193 HA ALA 26 HA ALA 26 3.161 -8.992 12.430 194 HB1 ALA 26 1HB ALA 26 4.647 -7.651 13.550 195 HB2 ALA 26 2HB ALA 26 4.061 -8.663 14.870 196 HB3 ALA 26 3HB ALA 26 5.618 -9.010 14.117 197 H LEU 27 H LEU 27 5.752 -11.290 13.260 198 HA LEU 27 HA LEU 27 7.435 -10.748 11.104 199 HB2 LEU 27 2HB LEU 27 7.041 -13.016 12.966 200 HB3 LEU 27 3HB LEU 27 7.951 -13.342 11.492 201 HG LEU 27 HG LEU 27 8.648 -11.265 13.568 202 HD11 LEU 27 1HD1 LEU 27 10.571 -13.369 13.125 203 HD12 LEU 27 2HD1 LEU 27 9.018 -14.021 13.645 204 HD13 LEU 27 3HD1 LEU 27 9.839 -12.809 14.629 205 HD21 LEU 27 3HD2 LEU 27 9.400 -10.504 11.443 206 HD22 LEU 27 1HD2 LEU 27 9.989 -12.108 11.006 207 HD23 LEU 27 2HD2 LEU 27 10.798 -11.188 12.275 208 H LYS 28 H LYS 28 4.503 -12.605 11.286 209 HA LYS 28 HA LYS 28 4.683 -14.279 9.110 210 HB2 LYS 28 2HB LYS 28 2.603 -13.224 10.748 211 HB3 LYS 28 3HB LYS 28 2.084 -13.110 9.071 212 HG2 LYS 28 2HG LYS 28 2.378 -15.458 8.748 213 HG3 LYS 28 3HG LYS 28 3.138 -15.631 10.332 214 HD2 LYS 28 2HD LYS 28 0.960 -16.361 10.703 215 HD3 LYS 28 3HD LYS 28 0.920 -14.683 11.250 216 HE2 LYS 28 2HE LYS 28 -1.033 -15.047 9.941 217 HE3 LYS 28 3HE LYS 28 0.066 -14.062 8.976 218 HZ1 LYS 28 3HZ LYS 28 -0.351 -15.582 7.407 219 HZ2 LYS 28 1HZ LYS 28 -0.899 -16.744 8.508 220 HZ3 LYS 28 2HZ LYS 28 0.760 -16.547 8.242 221 H HIS 29 H HIS 29 4.249 -10.812 9.169 222 HA HIS 29 HA HIS 29 3.417 -10.468 6.493 223 HB2 HIS 29 2HB HIS 29 4.155 -8.791 8.714 224 HB3 HIS 29 3HB HIS 29 4.915 -8.197 7.240 225 HD1 HIS 29 HD1 HIS 29 3.371 -7.257 5.405 226 HD2 HIS 29 HD2 HIS 29 1.357 -8.595 8.784 227 HE1 HIS 29 HE1 HIS 29 1.025 -6.380 5.180 228 H PHE 30 H PHE 30 6.617 -10.478 8.011 229 HA PHE 30 HA PHE 30 8.067 -9.818 5.675 230 HB2 PHE 30 2HB PHE 30 8.854 -9.743 8.119 231 HB3 PHE 30 3HB PHE 30 9.159 -11.468 7.947 232 HD1 PHE 30 HD1 PHE 30 9.952 -8.204 6.346 233 HD2 PHE 30 HD2 PHE 30 11.203 -12.191 7.155 234 HE1 PHE 30 HE1 PHE 30 12.152 -7.709 5.362 235 HE2 PHE 30 HE2 PHE 30 13.406 -11.703 6.172 236 HZ PHE 30 HZ PHE 30 13.883 -9.460 5.275 237 H LEU 31 H LEU 31 7.156 -12.903 7.144 238 HA LEU 31 HA LEU 31 8.616 -14.608 5.489 239 HB2 LEU 31 2HB LEU 31 6.649 -14.849 7.490 240 HB3 LEU 31 3HB LEU 31 6.063 -15.756 6.098 241 HG LEU 31 HG LEU 31 8.217 -17.015 6.099 242 HD11 LEU 31 1HD1 LEU 31 8.632 -15.606 8.732 243 HD12 LEU 31 2HD1 LEU 31 9.584 -15.367 7.268 244 HD13 LEU 31 3HD1 LEU 31 9.615 -16.924 8.095 245 HD21 LEU 31 3HD2 LEU 31 6.394 -17.095 8.486 246 HD22 LEU 31 1HD2 LEU 31 7.673 -18.283 8.233 247 HD23 LEU 31 2HD2 LEU 31 6.374 -18.121 7.051 248 H ASP 32 H ASP 32 5.635 -12.890 4.934 249 HA ASP 32 HA ASP 32 4.774 -14.367 2.669 250 HB2 ASP 32 2HB ASP 32 3.337 -12.833 4.055 251 HB3 ASP 32 3HB ASP 32 4.159 -11.475 3.292 252 H GLY 33 H GLY 33 6.655 -11.379 3.041 253 HA2 GLY 33 2HA GLY 33 6.933 -10.877 0.263 254 HA3 GLY 33 3HA GLY 33 7.925 -10.189 1.540 255 H GLY 34 H GLY 34 8.963 -12.594 2.602 256 HA2 GLY 34 2HA GLY 34 11.240 -12.956 1.060 257 HA3 GLY 34 3HA GLY 34 10.682 -14.083 2.287 258 H GLU 35 H GLU 35 8.218 -14.776 1.012 259 HA GLU 35 HA GLU 35 9.079 -16.908 -0.594 260 HB2 GLU 35 2HB GLU 35 6.332 -15.664 -0.378 261 HB3 GLU 35 3HB GLU 35 6.678 -17.219 -1.121 262 HG2 GLU 35 2HG GLU 35 7.797 -17.180 1.499 263 HG3 GLU 35 3HG GLU 35 6.116 -16.657 1.581 264 H MET 36 H MET 36 8.549 -13.625 -1.346 265 HA MET 36 HA MET 36 7.851 -13.905 -4.090 266 HB2 MET 36 2HB MET 36 9.185 -11.567 -2.714 267 HB3 MET 36 3HB MET 36 8.361 -11.529 -4.266 268 HG2 MET 36 2HG MET 36 6.995 -12.265 -1.694 269 HG3 MET 36 3HG MET 36 7.074 -10.618 -2.317 270 HE1 MET 36 3HE MET 36 4.388 -9.957 -3.721 271 HE2 MET 36 1HE MET 36 6.106 -9.691 -4.024 272 HE3 MET 36 2HE MET 36 5.084 -10.377 -5.287 273 H ILE 37 H ILE 37 10.853 -13.901 -2.329 274 HA ILE 37 HA ILE 37 12.505 -13.508 -4.654 275 HB ILE 37 HB ILE 37 13.058 -12.985 -2.154 276 HG12 ILE 37 2HG1 ILE 37 15.190 -14.302 -3.840 277 HG13 ILE 37 3HG1 ILE 37 14.525 -12.713 -4.204 278 HG21 ILE 37 1HG2 ILE 37 14.386 -15.650 -2.217 279 HG22 ILE 37 2HG2 ILE 37 13.946 -14.642 -0.840 280 HG23 ILE 37 3HG2 ILE 37 12.702 -15.546 -1.704 281 HD11 ILE 37 3HD1 ILE 37 16.728 -12.911 -2.868 282 HD12 ILE 37 1HD1 ILE 37 15.511 -11.738 -2.366 283 HD13 ILE 37 2HD1 ILE 37 15.667 -13.270 -1.506 284 H VAL 38 H VAL 38 11.079 -16.188 -2.994 285 HA VAL 38 HA VAL 38 12.835 -18.197 -4.033 286 HB VAL 38 HB VAL 38 10.042 -18.521 -2.926 287 HG11 VAL 38 1HG1 VAL 38 11.561 -20.786 -2.383 288 HG12 VAL 38 2HG1 VAL 38 10.274 -20.637 -3.581 289 HG13 VAL 38 3HG1 VAL 38 11.954 -20.375 -4.052 290 HG21 VAL 38 3HG2 VAL 38 11.324 -19.225 -0.850 291 HG22 VAL 38 1HG2 VAL 38 12.737 -18.475 -1.593 292 HG23 VAL 38 2HG2 VAL 38 11.314 -17.501 -1.221 293 H THR 39 H THR 39 9.522 -17.163 -4.824 294 HA THR 39 HA THR 39 8.951 -18.911 -6.870 295 HB THR 39 HB THR 39 7.264 -17.385 -6.069 296 HG1 THR 39 HG1 THR 39 6.832 -18.008 -8.148 297 HG21 THR 39 3HG2 THR 39 8.567 -15.437 -5.557 298 HG22 THR 39 1HG2 THR 39 7.343 -14.974 -6.738 299 HG23 THR 39 2HG2 THR 39 9.011 -15.226 -7.250 300 H ALA 40 H ALA 40 11.063 -16.130 -6.906 301 HA ALA 40 HA ALA 40 11.302 -15.938 -9.741 302 HB1 ALA 40 1HB ALA 40 12.588 -14.701 -7.394 303 HB2 ALA 40 2HB ALA 40 13.558 -14.761 -8.866 304 HB3 ALA 40 3HB ALA 40 11.984 -13.967 -8.880 305 H ALA 41 H ALA 41 13.179 -17.533 -7.202 306 HA ALA 41 HA ALA 41 15.221 -18.460 -8.981 307 HB1 ALA 41 1HB ALA 41 16.194 -18.542 -6.973 308 HB2 ALA 41 2HB ALA 41 14.647 -18.611 -6.129 309 HB3 ALA 41 3HB ALA 41 15.365 -20.087 -6.773 310 H GLU 42 H GLU 42 12.506 -20.050 -7.307 311 HA GLU 42 HA GLU 42 12.864 -22.613 -8.308 312 HB2 GLU 42 2HB GLU 42 10.195 -21.301 -7.778 313 HB3 GLU 42 3HB GLU 42 10.552 -23.022 -7.748 314 HG2 GLU 42 2HG GLU 42 12.310 -21.712 -5.942 315 HG3 GLU 42 3HG GLU 42 10.666 -21.158 -5.627 316 H LYS 43 H LYS 43 10.781 -20.033 -9.613 317 HA LYS 43 HA LYS 43 9.933 -21.436 -11.891 318 HB2 LYS 43 2HB LYS 43 8.904 -19.339 -10.972 319 HB3 LYS 43 3HB LYS 43 10.261 -18.442 -11.640 320 HG2 LYS 43 2HG LYS 43 9.184 -20.053 -13.709 321 HG3 LYS 43 3HG LYS 43 7.849 -19.220 -12.909 322 HD2 LYS 43 2HD LYS 43 9.527 -17.168 -13.095 323 HD3 LYS 43 3HD LYS 43 10.134 -18.116 -14.455 324 HE2 LYS 43 2HE LYS 43 7.945 -18.146 -15.467 325 HE3 LYS 43 3HE LYS 43 7.245 -17.343 -14.062 326 HZ1 LYS 43 3HZ LYS 43 8.636 -16.216 -16.302 327 HZ2 LYS 43 1HZ LYS 43 9.243 -15.670 -14.821 328 HZ3 LYS 43 2HZ LYS 43 7.604 -15.472 -15.187 329 H GLU 44 H GLU 44 12.885 -19.779 -11.175 330 HA GLU 44 HA GLU 44 13.706 -19.719 -13.971 331 HB2 GLU 44 2HB GLU 44 14.866 -18.657 -11.416 332 HB3 GLU 44 3HB GLU 44 15.873 -18.809 -12.849 333 HG2 GLU 44 2HG GLU 44 13.353 -17.185 -12.597 334 HG3 GLU 44 3HG GLU 44 15.003 -16.568 -12.671 335 H ALA 45 H ALA 45 16.257 -20.308 -14.078 336 HA ALA 45 HA ALA 45 17.169 -22.523 -12.604 337 HB1 ALA 45 1HB ALA 45 16.963 -24.184 -14.570 338 HB2 ALA 45 2HB ALA 45 15.564 -23.922 -13.528 339 HB3 ALA 45 3HB ALA 45 15.647 -23.140 -15.106 340 H SER 46 H SER 46 19.285 -22.958 -13.051 341 HA SER 46 HA SER 46 21.368 -22.701 -13.930 342 HB2 SER 46 2HB SER 46 20.013 -23.590 -15.991 343 HB3 SER 46 3HB SER 46 20.210 -21.944 -16.592 344 HG SER 46 HG SER 46 21.924 -23.841 -16.844 345 H GLN 47 H GLN 47 19.793 -20.408 -12.881 346 HA GLN 47 HA GLN 47 21.029 -18.183 -14.341 347 HB2 GLN 47 2HB GLN 47 18.497 -18.338 -13.623 348 HB3 GLN 47 3HB GLN 47 19.120 -17.776 -12.077 349 HG2 GLN 47 2HG GLN 47 18.574 -15.796 -13.077 350 HG3 GLN 47 3HG GLN 47 20.271 -15.944 -13.530 351 HE21 GLN 47 1HE2 GLN 47 16.981 -16.114 -14.631 352 HE22 GLN 47 2HE2 GLN 47 17.331 -16.083 -16.322 353 H LYS 48 H LYS 48 22.481 -16.818 -13.401 354 HA LYS 48 HA LYS 48 23.980 -17.797 -11.193 355 HB2 LYS 48 2HB LYS 48 24.127 -15.030 -12.390 356 HB3 LYS 48 3HB LYS 48 25.386 -15.877 -11.502 357 HG2 LYS 48 2HG LYS 48 25.167 -17.622 -13.433 358 HG3 LYS 48 3HG LYS 48 24.454 -16.263 -14.305 359 HD2 LYS 48 2HD LYS 48 26.860 -15.463 -12.923 360 HD3 LYS 48 3HD LYS 48 27.170 -16.832 -13.993 361 HE2 LYS 48 2HE LYS 48 26.592 -15.653 -15.886 362 HE3 LYS 48 3HE LYS 48 25.565 -14.527 -14.999 363 HZ1 LYS 48 3HZ LYS 48 28.355 -14.344 -15.620 364 HZ2 LYS 48 1HZ LYS 48 28.044 -14.083 -13.977 365 HZ3 LYS 48 2HZ LYS 48 27.274 -13.133 -15.145 366 H VAL 49 H VAL 49 21.511 -15.334 -11.576 367 HA VAL 49 HA VAL 49 21.850 -14.239 -8.944 368 HB VAL 49 HB VAL 49 19.672 -13.094 -9.415 369 HG11 VAL 49 1HG1 VAL 49 20.581 -11.685 -11.260 370 HG12 VAL 49 2HG1 VAL 49 21.717 -11.962 -9.938 371 HG13 VAL 49 3HG1 VAL 49 21.884 -12.859 -11.448 372 HG21 VAL 49 3HG2 VAL 49 18.774 -14.876 -10.898 373 HG22 VAL 49 1HG2 VAL 49 18.672 -13.259 -11.595 374 HG23 VAL 49 2HG2 VAL 49 19.928 -14.374 -12.134 375 H ARG 50 H ARG 50 19.884 -16.729 -10.414 376 HA ARG 50 HA ARG 50 17.862 -17.044 -8.568 377 HB2 ARG 50 2HB ARG 50 17.907 -18.337 -10.606 378 HB3 ARG 50 3HB ARG 50 19.381 -19.155 -10.104 379 HG2 ARG 50 2HG ARG 50 17.497 -19.592 -8.065 380 HG3 ARG 50 3HG ARG 50 16.660 -19.858 -9.596 381 HD2 ARG 50 2HD ARG 50 17.537 -21.934 -9.343 382 HD3 ARG 50 3HD ARG 50 18.920 -21.171 -10.127 383 HE ARG 50 HE ARG 50 19.418 -20.742 -7.517 384 HH11 ARG 50 2HH1 ARG 50 18.564 -23.598 -9.315 385 HH12 ARG 50 1HH1 ARG 50 19.419 -24.676 -8.262 386 HH21 ARG 50 2HH2 ARG 50 20.548 -22.150 -6.123 387 HH22 ARG 50 1HH2 ARG 50 20.547 -23.851 -6.446 388 H ASN 51 H ASN 51 21.222 -18.038 -8.349 389 HA ASN 51 HA ASN 51 20.904 -19.633 -6.007 390 HB2 ASN 51 2HB ASN 51 22.810 -19.828 -7.630 391 HB3 ASN 51 3HB ASN 51 23.429 -18.302 -7.005 392 HD21 ASN 51 1HD2 ASN 51 23.902 -18.222 -4.688 393 HD22 ASN 51 2HD2 ASN 51 24.501 -19.649 -3.919 394 H LEU 52 H LEU 52 21.612 -16.253 -6.624 395 HA LEU 52 HA LEU 52 22.280 -15.654 -3.895 396 HB2 LEU 52 2HB LEU 52 22.732 -14.416 -6.271 397 HB3 LEU 52 3HB LEU 52 21.403 -13.452 -5.631 398 HG LEU 52 HG LEU 52 24.043 -13.938 -4.252 399 HD11 LEU 52 1HD1 LEU 52 24.814 -12.301 -5.535 400 HD12 LEU 52 2HD1 LEU 52 23.658 -11.221 -4.757 401 HD13 LEU 52 3HD1 LEU 52 23.226 -12.041 -6.257 402 HD21 LEU 52 3HD2 LEU 52 21.512 -12.585 -3.447 403 HD22 LEU 52 1HD2 LEU 52 23.051 -11.915 -2.906 404 HD23 LEU 52 2HD2 LEU 52 22.618 -13.574 -2.492 405 H LEU 53 H LEU 53 19.399 -15.637 -5.859 406 HA LEU 53 HA LEU 53 17.779 -13.998 -4.246 407 HB2 LEU 53 2HB LEU 53 17.225 -16.161 -6.239 408 HB3 LEU 53 3HB LEU 53 15.909 -15.445 -5.311 409 HG LEU 53 HG LEU 53 17.639 -13.486 -6.635 410 HD11 LEU 53 1HD1 LEU 53 16.113 -15.524 -8.233 411 HD12 LEU 53 2HD1 LEU 53 17.805 -15.055 -8.393 412 HD13 LEU 53 3HD1 LEU 53 16.530 -13.928 -8.857 413 HD21 LEU 53 3HD2 LEU 53 14.753 -13.969 -6.112 414 HD22 LEU 53 1HD2 LEU 53 15.193 -12.905 -7.448 415 HD23 LEU 53 2HD2 LEU 53 15.735 -12.535 -5.810 416 H LEU 54 H LEU 54 18.290 -17.509 -4.258 417 HA LEU 54 HA LEU 54 16.494 -17.966 -2.072 418 HB2 LEU 54 2HB LEU 54 18.625 -19.748 -3.243 419 HB3 LEU 54 3HB LEU 54 17.368 -20.252 -2.115 420 HG LEU 54 HG LEU 54 16.479 -19.028 -4.665 421 HD11 LEU 54 1HD1 LEU 54 18.313 -21.226 -4.610 422 HD12 LEU 54 2HD1 LEU 54 17.553 -20.439 -5.993 423 HD13 LEU 54 3HD1 LEU 54 16.737 -21.775 -5.182 424 HD21 LEU 54 3HD2 LEU 54 14.774 -19.698 -3.181 425 HD22 LEU 54 1HD2 LEU 54 15.562 -21.240 -2.846 426 HD23 LEU 54 2HD2 LEU 54 14.836 -20.946 -4.426 427 H HIS 55 H HIS 55 19.905 -17.338 -2.429 428 HA HIS 55 HA HIS 55 20.672 -18.174 0.186 429 HB2 HIS 55 2HB HIS 55 22.333 -18.040 -1.572 430 HB3 HIS 55 3HB HIS 55 22.018 -16.322 -1.790 431 HD1 HIS 55 HD1 HIS 55 22.978 -18.474 1.210 432 HD2 HIS 55 HD2 HIS 55 24.001 -14.904 -0.651 433 HE1 HIS 55 HE1 HIS 55 24.835 -17.500 2.599 434 H LYS 56 H LYS 56 20.011 -14.995 -1.265 435 HA LYS 56 HA LYS 56 20.381 -13.556 1.163 436 HB2 LYS 56 2HB LYS 56 19.415 -12.947 -1.574 437 HB3 LYS 56 3HB LYS 56 18.869 -11.870 -0.295 438 HG2 LYS 56 2HG LYS 56 21.759 -12.539 -0.789 439 HG3 LYS 56 3HG LYS 56 20.938 -11.139 -1.484 440 HD2 LYS 56 2HD LYS 56 20.292 -10.609 0.968 441 HD3 LYS 56 3HD LYS 56 21.605 -11.714 1.380 442 HE2 LYS 56 2HE LYS 56 21.877 -9.299 -0.406 443 HE3 LYS 56 3HE LYS 56 22.305 -9.338 1.303 444 HZ1 LYS 56 3HZ LYS 56 24.104 -10.685 0.916 445 HZ2 LYS 56 1HZ LYS 56 24.108 -9.747 -0.493 446 HZ3 LYS 56 2HZ LYS 56 23.481 -11.317 -0.524 447 H GLY 57 H GLY 57 17.693 -15.209 -0.301 448 HA2 GLY 57 2HA GLY 57 15.618 -13.940 1.167 449 HA3 GLY 57 3HA GLY 57 15.508 -15.494 0.355 450 H LYS 58 H LYS 58 17.232 -17.084 1.633 451 HA LYS 58 HA LYS 58 15.886 -17.711 4.031 452 HB2 LYS 58 2HB LYS 58 17.704 -19.385 4.343 453 HB3 LYS 58 3HB LYS 58 16.949 -19.456 2.756 454 HG2 LYS 58 2HG LYS 58 19.176 -19.641 2.230 455 HG3 LYS 58 3HG LYS 58 18.911 -17.906 2.047 456 HD2 LYS 58 2HD LYS 58 20.526 -17.528 3.526 457 HD3 LYS 58 3HD LYS 58 19.574 -18.364 4.755 458 HE2 LYS 58 2HE LYS 58 20.706 -20.348 4.473 459 HE3 LYS 58 3HE LYS 58 21.166 -19.972 2.814 460 HZ1 LYS 58 3HZ LYS 58 22.260 -18.405 5.059 461 HZ2 LYS 58 1HZ LYS 58 22.899 -18.633 3.509 462 HZ3 LYS 58 2HZ LYS 58 22.949 -19.891 4.638 463 H GLU 59 H GLU 59 18.563 -15.653 3.340 464 HA GLU 59 HA GLU 59 19.626 -15.642 6.013 465 HB2 GLU 59 2HB GLU 59 20.315 -14.467 3.435 466 HB3 GLU 59 3HB GLU 59 20.551 -13.346 4.768 467 HG2 GLU 59 2HG GLU 59 21.736 -16.103 4.539 468 HG3 GLU 59 3HG GLU 59 22.584 -14.578 4.288 469 H VAL 60 H VAL 60 18.066 -13.117 4.029 470 HA VAL 60 HA VAL 60 17.689 -11.223 5.995 471 HB VAL 60 HB VAL 60 15.893 -10.299 4.652 472 HG11 VAL 60 1HG1 VAL 60 18.473 -11.029 3.632 473 HG12 VAL 60 2HG1 VAL 60 17.299 -10.962 2.316 474 HG13 VAL 60 3HG1 VAL 60 17.539 -9.559 3.357 475 HG21 VAL 60 3HG2 VAL 60 14.992 -11.483 2.717 476 HG22 VAL 60 1HG2 VAL 60 15.972 -12.895 3.115 477 HG23 VAL 60 2HG2 VAL 60 14.683 -12.380 4.203 478 H LEU 61 H LEU 61 15.888 -14.153 5.403 479 HA LEU 61 HA LEU 61 13.644 -13.494 7.032 480 HB2 LEU 61 2HB LEU 61 14.725 -16.101 5.994 481 HB3 LEU 61 3HB LEU 61 13.265 -15.995 6.975 482 HG LEU 61 HG LEU 61 13.532 -14.479 4.397 483 HD11 LEU 61 1HD1 LEU 61 13.301 -17.355 4.763 484 HD12 LEU 61 2HD1 LEU 61 13.634 -16.420 3.306 485 HD13 LEU 61 3HD1 LEU 61 11.969 -16.669 3.832 486 HD21 LEU 61 3HD2 LEU 61 10.971 -15.031 4.572 487 HD22 LEU 61 1HD2 LEU 61 11.671 -13.686 5.475 488 HD23 LEU 61 2HD2 LEU 61 11.349 -15.220 6.285 489 H GLU 62 H GLU 62 16.543 -15.487 7.561 490 HA GLU 62 HA GLU 62 15.909 -16.101 10.264 491 HB2 GLU 62 2HB GLU 62 18.388 -16.335 8.587 492 HB3 GLU 62 3HB GLU 62 18.445 -16.656 10.314 493 HG2 GLU 62 2HG GLU 62 16.241 -18.046 9.098 494 HG3 GLU 62 3HG GLU 62 17.754 -18.428 8.279 495 H TRP 63 H TRP 63 17.500 -13.449 8.693 496 HA TRP 63 HA TRP 63 18.831 -12.446 11.016 497 HB2 TRP 63 2HB TRP 63 18.761 -11.831 8.246 498 HB3 TRP 63 3HB TRP 63 18.317 -10.365 9.117 499 HD1 TRP 63 HD1 TRP 63 21.244 -12.764 8.585 500 HE1 TRP 63 HE1 TRP 63 23.390 -11.657 9.474 501 HE3 TRP 63 HE3 TRP 63 19.173 -8.663 10.827 502 HZ2 TRP 63 HZ2 TRP 63 24.111 -9.351 10.933 503 HZ3 TRP 63 HZ3 TRP 63 20.661 -7.055 11.948 504 HH2 TRP 63 HH2 TRP 63 23.078 -7.394 12.000 505 H ALA 64 H ALA 64 15.960 -11.339 9.210 506 HA ALA 64 HA ALA 64 15.198 -9.291 10.925 507 HB1 ALA 64 1HB ALA 64 12.810 -10.343 9.971 508 HB2 ALA 64 2HB ALA 64 13.786 -9.080 9.220 509 HB3 ALA 64 3HB ALA 64 14.005 -10.764 8.743 510 H GLU 65 H GLU 65 14.775 -12.742 11.218 511 HA GLU 65 HA GLU 65 12.819 -12.599 13.312 512 HB2 GLU 65 2HB GLU 65 14.510 -14.824 12.191 513 HB3 GLU 65 3HB GLU 65 13.475 -15.064 13.592 514 HG2 GLU 65 2HG GLU 65 11.901 -13.815 11.619 515 HG3 GLU 65 3HG GLU 65 12.798 -15.108 10.825 516 H HIS 66 H HIS 66 16.248 -12.425 13.128 517 HA HIS 66 HA HIS 66 16.991 -13.370 15.650 518 HB2 HIS 66 2HB HIS 66 18.330 -12.326 13.518 519 HB3 HIS 66 3HB HIS 66 18.474 -11.013 14.683 520 HD1 HIS 66 HD1 HIS 66 18.573 -13.206 17.121 521 HD2 HIS 66 HD2 HIS 66 21.079 -12.890 13.822 522 HE1 HIS 66 HE1 HIS 66 20.716 -14.337 17.794 523 H LEU 67 H LEU 67 16.331 -10.012 14.647 524 HA LEU 67 HA LEU 67 16.462 -8.983 17.294 525 HB2 LEU 67 2HB LEU 67 15.671 -6.922 16.356 526 HB3 LEU 67 3HB LEU 67 16.864 -7.633 15.272 527 HG LEU 67 HG LEU 67 14.644 -8.574 14.120 528 HD11 LEU 67 1HD1 LEU 67 13.427 -7.165 16.007 529 HD12 LEU 67 2HD1 LEU 67 12.765 -7.323 14.381 530 HD13 LEU 67 3HD1 LEU 67 13.656 -5.870 14.832 531 HD21 LEU 67 3HD2 LEU 67 15.985 -7.460 12.671 532 HD22 LEU 67 1HD2 LEU 67 16.247 -6.110 13.776 533 HD23 LEU 67 2HD2 LEU 67 14.743 -6.221 12.862 534 H ALA 68 H ALA 68 13.811 -9.977 15.179 535 HA ALA 68 HA ALA 68 11.690 -9.120 16.816 536 HB1 ALA 68 1HB ALA 68 11.929 -11.174 14.650 537 HB2 ALA 68 2HB ALA 68 10.426 -10.980 15.552 538 HB3 ALA 68 3HB ALA 68 11.083 -9.626 14.632 539 H GLU 69 H GLU 69 13.774 -11.893 16.969 540 HA GLU 69 HA GLU 69 12.074 -13.394 18.743 541 HB2 GLU 69 2HB GLU 69 14.784 -13.751 17.560 542 HB3 GLU 69 3HB GLU 69 14.412 -14.637 19.032 543 HG2 GLU 69 2HG GLU 69 12.318 -14.817 17.014 544 HG3 GLU 69 3HG GLU 69 13.870 -15.464 16.483 545 H TRP 70 H TRP 70 14.490 -10.959 19.045 546 HA TRP 70 HA TRP 70 15.629 -11.370 21.492 547 HB2 TRP 70 2HB TRP 70 15.922 -9.395 19.878 548 HB3 TRP 70 3HB TRP 70 14.555 -8.664 20.714 549 HD1 TRP 70 HD1 TRP 70 14.953 -8.380 23.495 550 HE1 TRP 70 HE1 TRP 70 17.098 -7.638 24.709 551 HE3 TRP 70 HE3 TRP 70 18.352 -9.361 19.805 552 HZ2 TRP 70 HZ2 TRP 70 19.866 -7.489 24.172 553 HZ3 TRP 70 HZ3 TRP 70 20.729 -8.890 20.235 554 HH2 TRP 70 HH2 TRP 70 21.468 -7.973 22.374 555 H ILE 71 H ILE 71 12.502 -9.762 20.913 556 HA ILE 71 HA ILE 71 11.787 -9.210 23.516 557 HB ILE 71 HB ILE 71 9.397 -9.514 22.736 558 HG12 ILE 71 2HG1 ILE 71 9.830 -9.555 19.960 559 HG13 ILE 71 3HG1 ILE 71 10.793 -10.879 20.606 560 HG21 ILE 71 1HG2 ILE 71 10.805 -7.834 20.731 561 HG22 ILE 71 2HG2 ILE 71 9.416 -7.457 21.748 562 HG23 ILE 71 3HG2 ILE 71 11.038 -7.465 22.440 563 HD11 ILE 71 3HD1 ILE 71 7.844 -10.447 21.012 564 HD12 ILE 71 1HD1 ILE 71 8.603 -11.663 19.985 565 HD13 ILE 71 2HD1 ILE 71 8.792 -11.745 21.737 566 H LEU 72 H LEU 72 11.516 -12.255 21.761 567 HA LEU 72 HA LEU 72 10.049 -13.611 23.795 568 HB2 LEU 72 2HB LEU 72 11.790 -14.931 21.737 569 HB3 LEU 72 3HB LEU 72 10.336 -15.561 22.508 570 HG LEU 72 HG LEU 72 10.225 -13.183 20.679 571 HD11 LEU 72 1HD1 LEU 72 9.805 -14.615 18.813 572 HD12 LEU 72 2HD1 LEU 72 9.911 -16.055 19.826 573 HD13 LEU 72 3HD1 LEU 72 11.351 -15.083 19.523 574 HD21 LEU 72 3HD2 LEU 72 8.115 -15.263 21.035 575 HD22 LEU 72 1HD2 LEU 72 7.956 -13.554 20.628 576 HD23 LEU 72 2HD2 LEU 72 8.342 -14.034 22.281 577 H GLU 73 H GLU 73 13.474 -13.408 22.931 578 HA GLU 73 HA GLU 73 14.438 -15.316 24.746 579 HB2 GLU 73 2HB GLU 73 15.640 -14.063 22.806 580 HB3 GLU 73 3HB GLU 73 16.006 -12.859 24.034 581 HG2 GLU 73 2HG GLU 73 17.875 -14.267 23.950 582 HG3 GLU 73 3HG GLU 73 16.992 -14.742 25.400 583 H HIS 74 H HIS 74 13.497 -11.984 25.159 584 HA HIS 74 HA HIS 74 14.545 -11.934 27.887 585 HB2 HIS 74 2HB HIS 74 14.637 -9.991 26.096 586 HB3 HIS 74 3HB HIS 74 13.019 -9.653 26.703 587 HD1 HIS 74 HD1 HIS 74 12.833 -8.501 28.943 588 HD2 HIS 74 HD2 HIS 74 16.714 -9.681 28.046 589 HE1 HIS 74 HE1 HIS 74 14.283 -7.432 30.698 Start of MODEL 18 1 H1 MET 1 H MET 1 1.851 -7.215 -6.997 2 HA MET 1 HA MET 1 3.567 -5.636 -7.205 3 HB2 MET 1 2HB MET 1 0.928 -4.668 -7.211 4 HB3 MET 1 3HB MET 1 1.868 -3.478 -6.321 5 HG2 MET 1 2HG MET 1 3.114 -2.892 -8.135 6 HG3 MET 1 3HG MET 1 2.960 -4.476 -8.891 7 HE1 MET 1 3HE MET 1 0.780 -3.662 -11.683 8 HE2 MET 1 1HE MET 1 2.413 -3.062 -11.391 9 HE3 MET 1 2HE MET 1 1.975 -4.699 -10.903 10 H GLY 2 H GLY 2 5.279 -5.052 -6.048 11 HA2 GLY 2 2HA GLY 2 5.350 -3.346 -3.889 12 HA3 GLY 2 3HA GLY 2 5.183 -4.951 -3.193 13 H THR 3 H THR 3 7.354 -3.797 -2.398 14 HA THR 3 HA THR 3 9.489 -5.042 -3.990 15 HB THR 3 HB THR 3 10.986 -3.123 -3.230 16 HG1 THR 3 HG1 THR 3 8.531 -1.714 -2.991 17 HG21 THR 3 3HG2 THR 3 10.078 -3.450 -5.551 18 HG22 THR 3 1HG2 THR 3 10.445 -1.777 -5.129 19 HG23 THR 3 2HG2 THR 3 8.774 -2.342 -5.126 20 H ILE 4 H ILE 4 11.247 -5.849 -2.814 21 HA ILE 4 HA ILE 4 10.728 -7.040 -0.383 22 HB ILE 4 HB ILE 4 13.428 -6.246 -1.479 23 HG12 ILE 4 2HG1 ILE 4 12.194 -7.655 -3.029 24 HG13 ILE 4 3HG1 ILE 4 13.489 -8.590 -2.288 25 HG21 ILE 4 1HG2 ILE 4 12.702 -8.264 0.641 26 HG22 ILE 4 2HG2 ILE 4 14.309 -8.037 -0.048 27 HG23 ILE 4 3HG2 ILE 4 13.563 -6.746 0.893 28 HD11 ILE 4 3HD1 ILE 4 11.873 -9.599 -0.758 29 HD12 ILE 4 1HD1 ILE 4 10.581 -8.675 -1.522 30 HD13 ILE 4 2HD1 ILE 4 11.458 -9.895 -2.446 31 H ASP 5 H ASP 5 12.146 -3.886 -1.034 32 HA ASP 5 HA ASP 5 13.135 -3.229 1.463 33 HB2 ASP 5 2HB ASP 5 11.731 -1.411 -0.507 34 HB3 ASP 5 3HB ASP 5 12.748 -0.873 0.827 35 H ASP 6 H ASP 6 9.832 -3.395 0.365 36 HA ASP 6 HA ASP 6 8.605 -1.888 2.394 37 HB2 ASP 6 2HB ASP 6 7.685 -3.052 0.166 38 HB3 ASP 6 3HB ASP 6 7.184 -4.275 1.331 39 H ALA 7 H ALA 7 9.751 -5.192 2.294 40 HA ALA 7 HA ALA 7 8.433 -6.106 4.631 41 HB1 ALA 7 1HB ALA 7 11.032 -7.151 3.528 42 HB2 ALA 7 2HB ALA 7 9.846 -8.015 4.507 43 HB3 ALA 7 3HB ALA 7 9.453 -7.551 2.851 44 H PHE 8 H PHE 8 11.791 -5.032 4.093 45 HA PHE 8 HA PHE 8 12.648 -5.207 6.740 46 HB2 PHE 8 2HB PHE 8 13.594 -3.144 4.747 47 HB3 PHE 8 3HB PHE 8 14.497 -3.821 6.097 48 HD1 PHE 8 HD2 PHE 8 13.784 -6.708 5.721 49 HD2 PHE 8 HD1 PHE 8 14.970 -3.710 2.943 50 HE1 PHE 8 HE2 PHE 8 14.695 -8.447 4.238 51 HE2 PHE 8 HE1 PHE 8 15.883 -5.444 1.455 52 HZ PHE 8 HZ PHE 8 15.747 -7.817 2.102 53 H ARG 9 H ARG 9 11.084 -2.548 5.014 54 HA ARG 9 HA ARG 9 11.319 -0.571 6.965 55 HB2 ARG 9 2HB ARG 9 9.299 -1.079 4.799 56 HB3 ARG 9 3HB ARG 9 9.114 0.277 5.903 57 HG2 ARG 9 2HG ARG 9 11.305 1.128 5.214 58 HG3 ARG 9 3HG ARG 9 11.464 -0.221 4.088 59 HD2 ARG 9 2HD ARG 9 10.625 1.323 2.650 60 HD3 ARG 9 3HD ARG 9 9.103 0.694 3.277 61 HE ARG 9 HE ARG 9 9.777 2.760 4.951 62 HH11 ARG 9 2HH1 ARG 9 9.203 2.387 1.538 63 HH12 ARG 9 1HH1 ARG 9 8.611 4.002 1.329 64 HH21 ARG 9 2HH2 ARG 9 9.000 4.889 4.688 65 HH22 ARG 9 1HH2 ARG 9 8.497 5.424 3.121 66 H ALA 10 H ALA 10 9.075 -3.246 6.676 67 HA ALA 10 HA ALA 10 7.307 -2.337 8.740 68 HB1 ALA 10 1HB ALA 10 7.460 -4.581 6.906 69 HB2 ALA 10 2HB ALA 10 6.920 -5.063 8.514 70 HB3 ALA 10 3HB ALA 10 6.052 -3.807 7.633 71 H ILE 11 H ILE 11 10.039 -4.566 8.562 72 HA ILE 11 HA ILE 11 9.879 -5.803 11.019 73 HB ILE 11 HB ILE 11 12.370 -4.865 9.593 74 HG12 ILE 11 2HG1 ILE 11 10.919 -7.520 9.590 75 HG13 ILE 11 3HG1 ILE 11 10.992 -6.377 8.254 76 HG21 ILE 11 1HG2 ILE 11 12.853 -5.310 11.927 77 HG22 ILE 11 2HG2 ILE 11 12.052 -6.876 11.816 78 HG23 ILE 11 3HG2 ILE 11 13.537 -6.580 10.913 79 HD11 ILE 11 3HD1 ILE 11 13.413 -6.717 8.116 80 HD12 ILE 11 1HD1 ILE 11 13.312 -7.892 9.427 81 HD13 ILE 11 2HD1 ILE 11 12.513 -8.216 7.888 82 H GLU 12 H GLU 12 11.472 -2.709 10.266 83 HA GLU 12 HA GLU 12 12.461 -2.086 12.765 84 HB2 GLU 12 2HB GLU 12 12.974 -0.738 10.818 85 HB3 GLU 12 3HB GLU 12 11.295 -0.236 10.680 86 HG2 GLU 12 2HG GLU 12 11.425 1.075 12.640 87 HG3 GLU 12 3HG GLU 12 12.979 0.375 13.089 88 H ARG 13 H ARG 13 9.187 -1.693 11.523 89 HA ARG 13 HA ARG 13 8.232 -0.282 13.825 90 HB2 ARG 13 2HB ARG 13 7.283 -0.766 11.257 91 HB3 ARG 13 3HB ARG 13 6.184 -1.668 12.292 92 HG2 ARG 13 2HG ARG 13 5.106 0.317 12.314 93 HG3 ARG 13 3HG ARG 13 6.220 0.620 13.649 94 HD2 ARG 13 2HD ARG 13 7.194 2.285 12.541 95 HD3 ARG 13 3HD ARG 13 7.458 1.260 11.131 96 HE ARG 13 HE ARG 13 4.758 2.111 11.265 97 HH11 ARG 13 2HH1 ARG 13 7.962 3.223 10.478 98 HH12 ARG 13 1HH1 ARG 13 7.411 4.428 9.362 99 HH21 ARG 13 2HH2 ARG 13 4.021 3.695 9.797 100 HH22 ARG 13 1HH2 ARG 13 5.169 4.696 8.976 101 H ALA 14 H ALA 14 8.523 -3.619 12.885 102 HA ALA 14 HA ALA 14 6.679 -4.715 14.736 103 HB1 ALA 14 1HB ALA 14 7.592 -6.827 14.185 104 HB2 ALA 14 2HB ALA 14 7.642 -5.863 12.708 105 HB3 ALA 14 3HB ALA 14 9.112 -6.110 13.650 106 H ILE 15 H ILE 15 10.228 -4.401 14.838 107 HA ILE 15 HA ILE 15 10.588 -5.472 17.399 108 HB ILE 15 HB ILE 15 12.450 -5.132 15.850 109 HG12 ILE 15 2HG1 ILE 15 13.570 -3.437 17.865 110 HG13 ILE 15 3HG1 ILE 15 12.431 -4.540 18.629 111 HG21 ILE 15 1HG2 ILE 15 12.055 -2.196 16.411 112 HG22 ILE 15 2HG2 ILE 15 13.398 -2.897 15.509 113 HG23 ILE 15 3HG2 ILE 15 11.755 -3.014 14.878 114 HD11 ILE 15 3HD1 ILE 15 14.902 -5.230 18.394 115 HD12 ILE 15 1HD1 ILE 15 13.643 -6.409 18.029 116 HD13 ILE 15 2HD1 ILE 15 14.476 -5.574 16.718 117 H GLN 16 H GLN 16 9.708 -2.253 16.339 118 HA GLN 16 HA GLN 16 10.195 -0.867 18.733 119 HB2 GLN 16 2HB GLN 16 8.888 -0.354 16.209 120 HB3 GLN 16 3HB GLN 16 7.956 0.328 17.535 121 HG2 GLN 16 2HG GLN 16 10.717 0.925 17.931 122 HG3 GLN 16 3HG GLN 16 10.250 1.379 16.293 123 HE21 GLN 16 1HE2 GLN 16 7.843 2.343 16.397 124 HE22 GLN 16 2HE2 GLN 16 7.697 3.662 17.503 125 H ALA 17 H ALA 17 7.721 -3.087 17.835 126 HA ALA 17 HA ALA 17 5.555 -2.385 19.358 127 HB1 ALA 17 1HB ALA 17 6.712 -5.094 18.764 128 HB2 ALA 17 2HB ALA 17 5.189 -4.883 19.628 129 HB3 ALA 17 3HB ALA 17 5.358 -4.281 17.979 130 H GLU 18 H GLU 18 8.422 -4.187 20.448 131 HA GLU 18 HA GLU 18 9.284 -4.574 22.517 132 HB2 GLU 18 2HB GLU 18 7.658 -2.138 23.267 133 HB3 GLU 18 3HB GLU 18 8.944 -2.845 24.234 134 HG2 GLU 18 2HG GLU 18 10.569 -1.924 22.992 135 HG3 GLU 18 3HG GLU 18 9.691 -2.153 21.481 136 H ASN 19 H ASN 19 7.611 -6.425 22.179 137 HA ASN 19 HA ASN 19 6.528 -7.069 24.677 138 HB2 ASN 19 2HB ASN 19 4.869 -5.291 23.523 139 HB3 ASN 19 3HB ASN 19 4.231 -6.774 22.821 140 HD21 ASN 19 1HD2 ASN 19 2.321 -6.753 23.922 141 HD22 ASN 19 2HD2 ASN 19 2.206 -6.995 25.629 142 H GLU 20 H GLU 20 4.617 -8.888 24.151 143 HA GLU 20 HA GLU 20 5.660 -10.581 21.990 144 HB2 GLU 20 2HB GLU 20 5.350 -12.544 23.601 145 HB3 GLU 20 3HB GLU 20 6.755 -11.515 23.846 146 HG2 GLU 20 2HG GLU 20 6.018 -10.740 25.830 147 HG3 GLU 20 3HG GLU 20 4.325 -10.771 25.339 148 H GLY 21 H GLY 21 3.957 -10.664 20.651 149 HA2 GLY 21 2HA GLY 21 1.688 -12.178 21.234 150 HA3 GLY 21 3HA GLY 21 1.254 -10.490 21.462 151 H ARG 22 H ARG 22 2.151 -9.072 19.539 152 HA ARG 22 HA ARG 22 0.856 -10.111 17.182 153 HB2 ARG 22 2HB ARG 22 1.944 -7.474 18.045 154 HB3 ARG 22 3HB ARG 22 1.781 -7.769 16.319 155 HG2 ARG 22 2HG ARG 22 -0.219 -6.748 16.879 156 HG3 ARG 22 3HG ARG 22 -0.631 -8.464 16.883 157 HD2 ARG 22 2HD ARG 22 0.339 -7.577 19.465 158 HD3 ARG 22 3HD ARG 22 -1.058 -6.642 18.934 159 HE ARG 22 HE ARG 22 -1.778 -9.229 18.483 160 HH11 ARG 22 2HH1 ARG 22 -0.628 -7.458 21.252 161 HH12 ARG 22 1HH1 ARG 22 -1.478 -8.442 22.397 162 HH21 ARG 22 2HH2 ARG 22 -2.902 -10.531 19.982 163 HH22 ARG 22 1HH2 ARG 22 -2.771 -10.190 21.674 164 H TYR 23 H TYR 23 4.072 -9.834 18.367 165 HA TYR 23 HA TYR 23 5.612 -9.627 16.096 166 HB2 TYR 23 2HB TYR 23 5.983 -11.009 18.716 167 HB3 TYR 23 3HB TYR 23 7.149 -11.321 17.434 168 HD1 TYR 23 HD2 TYR 23 8.597 -9.528 16.607 169 HD2 TYR 23 HD1 TYR 23 5.871 -8.858 19.805 170 HE1 TYR 23 HE2 TYR 23 9.787 -7.453 17.180 171 HE2 TYR 23 HE1 TYR 23 7.052 -6.781 20.385 172 HH TYR 23 HH TYR 23 8.696 -5.081 18.751 173 H ARG 24 H ARG 24 4.273 -12.603 17.516 174 HA ARG 24 HA ARG 24 5.292 -14.453 15.740 175 HB2 ARG 24 2HB ARG 24 3.378 -15.870 16.328 176 HB3 ARG 24 3HB ARG 24 4.049 -15.080 17.748 177 HG2 ARG 24 2HG ARG 24 1.897 -14.630 18.192 178 HG3 ARG 24 3HG ARG 24 2.149 -13.297 17.064 179 HD2 ARG 24 2HD ARG 24 1.401 -14.876 15.236 180 HD3 ARG 24 3HD ARG 24 0.905 -15.982 16.516 181 HE ARG 24 HE ARG 24 -0.180 -13.323 16.758 182 HH11 ARG 24 2HH1 ARG 24 -0.611 -16.501 15.404 183 HH12 ARG 24 1HH1 ARG 24 -2.328 -16.343 15.244 184 HH21 ARG 24 2HH2 ARG 24 -2.440 -13.102 16.553 185 HH22 ARG 24 1HH2 ARG 24 -3.368 -14.408 15.897 186 H GLU 25 H GLU 25 2.459 -12.377 15.387 187 HA GLU 25 HA GLU 25 1.643 -13.540 12.899 188 HB2 GLU 25 2HB GLU 25 0.695 -11.445 14.700 189 HB3 GLU 25 3HB GLU 25 0.485 -11.031 13.004 190 HG2 GLU 25 2HG GLU 25 -0.345 -13.749 13.771 191 HG3 GLU 25 3HG GLU 25 -1.300 -12.428 14.444 192 H ALA 26 H ALA 26 3.369 -10.596 13.851 193 HA ALA 26 HA ALA 26 3.604 -9.340 11.408 194 HB1 ALA 26 1HB ALA 26 4.352 -8.400 13.567 195 HB2 ALA 26 2HB ALA 26 5.750 -9.475 13.521 196 HB3 ALA 26 3HB ALA 26 5.555 -8.229 12.288 197 H LEU 27 H LEU 27 5.793 -11.780 12.797 198 HA LEU 27 HA LEU 27 7.614 -11.891 10.686 199 HB2 LEU 27 2HB LEU 27 6.750 -13.930 12.715 200 HB3 LEU 27 3HB LEU 27 8.001 -14.270 11.521 201 HG LEU 27 HG LEU 27 8.103 -12.155 13.671 202 HD11 LEU 27 1HD1 LEU 27 9.217 -13.607 14.944 203 HD12 LEU 27 2HD1 LEU 27 10.174 -14.199 13.587 204 HD13 LEU 27 3HD1 LEU 27 8.564 -14.855 13.882 205 HD21 LEU 27 3HD2 LEU 27 9.858 -12.751 11.329 206 HD22 LEU 27 1HD2 LEU 27 10.564 -12.134 12.823 207 HD23 LEU 27 2HD2 LEU 27 9.335 -11.195 11.975 208 H LYS 28 H LYS 28 4.456 -13.327 11.057 209 HA LYS 28 HA LYS 28 4.585 -15.297 9.076 210 HB2 LYS 28 2HB LYS 28 2.652 -14.340 10.804 211 HB3 LYS 28 3HB LYS 28 2.005 -13.931 9.221 212 HG2 LYS 28 2HG LYS 28 1.414 -16.032 8.843 213 HG3 LYS 28 3HG LYS 28 3.031 -16.621 9.236 214 HD2 LYS 28 2HD LYS 28 1.403 -15.775 11.538 215 HD3 LYS 28 3HD LYS 28 0.807 -17.194 10.672 216 HE2 LYS 28 2HE LYS 28 3.304 -17.960 10.826 217 HE3 LYS 28 3HE LYS 28 3.370 -16.806 12.156 218 HZ1 LYS 28 3HZ LYS 28 1.080 -18.280 12.562 219 HZ2 LYS 28 1HZ LYS 28 2.529 -18.397 13.427 220 HZ3 LYS 28 2HZ LYS 28 2.249 -19.412 12.103 221 H HIS 29 H HIS 29 4.287 -11.846 8.852 222 HA HIS 29 HA HIS 29 3.378 -11.825 6.125 223 HB2 HIS 29 2HB HIS 29 3.397 -9.970 8.150 224 HB3 HIS 29 3HB HIS 29 4.698 -9.395 7.111 225 HD1 HIS 29 HD1 HIS 29 3.987 -7.950 5.232 226 HD2 HIS 29 HD2 HIS 29 0.885 -10.353 6.600 227 HE1 HIS 29 HE1 HIS 29 1.959 -7.240 3.925 228 H PHE 30 H PHE 30 6.464 -11.237 7.776 229 HA PHE 30 HA PHE 30 7.979 -10.569 5.524 230 HB2 PHE 30 2HB PHE 30 8.939 -12.023 7.996 231 HB3 PHE 30 3HB PHE 30 9.934 -11.104 6.871 232 HD1 PHE 30 HD2 PHE 30 8.230 -8.716 6.472 233 HD2 PHE 30 HD1 PHE 30 9.197 -10.885 10.005 234 HE1 PHE 30 HE2 PHE 30 7.869 -6.685 7.813 235 HE2 PHE 30 HE1 PHE 30 8.836 -8.857 11.352 236 HZ PHE 30 HZ PHE 30 8.173 -6.754 10.256 237 H LEU 31 H LEU 31 7.366 -13.723 7.024 238 HA LEU 31 HA LEU 31 9.029 -15.268 5.401 239 HB2 LEU 31 2HB LEU 31 6.945 -15.706 7.322 240 HB3 LEU 31 3HB LEU 31 6.740 -16.806 5.960 241 HG LEU 31 HG LEU 31 9.140 -17.502 6.309 242 HD11 LEU 31 1HD1 LEU 31 9.796 -15.512 7.621 243 HD12 LEU 31 2HD1 LEU 31 10.177 -17.031 8.430 244 HD13 LEU 31 3HD1 LEU 31 8.781 -16.084 8.945 245 HD21 LEU 31 3HD2 LEU 31 7.400 -18.023 8.705 246 HD22 LEU 31 1HD2 LEU 31 8.579 -19.096 7.951 247 HD23 LEU 31 2HD2 LEU 31 7.069 -18.722 7.119 248 H ASP 32 H ASP 32 5.753 -14.099 4.884 249 HA ASP 32 HA ASP 32 5.264 -15.634 2.534 250 HB2 ASP 32 2HB ASP 32 3.950 -13.209 3.743 251 HB3 ASP 32 3HB ASP 32 3.432 -13.863 2.191 252 H GLY 33 H GLY 33 6.663 -12.483 3.177 253 HA2 GLY 33 2HA GLY 33 6.633 -11.585 0.466 254 HA3 GLY 33 3HA GLY 33 7.574 -10.893 1.780 255 H GLY 34 H GLY 34 9.159 -13.014 2.527 256 HA2 GLY 34 2HA GLY 34 11.274 -12.872 0.726 257 HA3 GLY 34 3HA GLY 34 11.109 -14.092 1.980 258 H GLU 35 H GLU 35 8.649 -15.202 0.913 259 HA GLU 35 HA GLU 35 9.730 -17.164 -0.778 260 HB2 GLU 35 2HB GLU 35 6.835 -16.410 -0.342 261 HB3 GLU 35 3HB GLU 35 7.392 -17.894 -1.103 262 HG2 GLU 35 2HG GLU 35 8.540 -17.395 1.540 263 HG3 GLU 35 3HG GLU 35 6.790 -17.613 1.531 264 H MET 36 H MET 36 8.603 -14.020 -1.448 265 HA MET 36 HA MET 36 7.644 -14.337 -4.074 266 HB2 MET 36 2HB MET 36 8.970 -11.962 -2.757 267 HB3 MET 36 3HB MET 36 8.151 -11.907 -4.312 268 HG2 MET 36 2HG MET 36 6.508 -13.055 -2.205 269 HG3 MET 36 3HG MET 36 7.021 -11.404 -1.864 270 HE1 MET 36 3HE MET 36 4.298 -10.750 -1.910 271 HE2 MET 36 1HE MET 36 5.563 -9.599 -2.341 272 HE3 MET 36 2HE MET 36 4.099 -9.705 -3.318 273 H ILE 37 H ILE 37 10.890 -13.800 -2.793 274 HA ILE 37 HA ILE 37 12.083 -13.596 -5.405 275 HB ILE 37 HB ILE 37 12.962 -12.525 -3.249 276 HG12 ILE 37 2HG1 ILE 37 15.334 -12.822 -3.985 277 HG13 ILE 37 3HG1 ILE 37 14.797 -14.104 -5.064 278 HG21 ILE 37 1HG2 ILE 37 12.910 -15.019 -2.251 279 HG22 ILE 37 2HG2 ILE 37 14.586 -14.944 -2.789 280 HG23 ILE 37 3HG2 ILE 37 13.974 -13.751 -1.644 281 HD11 ILE 37 3HD1 ILE 37 14.792 -11.262 -5.454 282 HD12 ILE 37 1HD1 ILE 37 14.499 -12.558 -6.614 283 HD13 ILE 37 2HD1 ILE 37 13.167 -11.920 -5.648 284 H VAL 38 H VAL 38 11.356 -16.122 -3.156 285 HA VAL 38 HA VAL 38 13.235 -18.043 -4.061 286 HB VAL 38 HB VAL 38 10.563 -18.458 -2.714 287 HG11 VAL 38 1HG1 VAL 38 12.548 -20.323 -3.755 288 HG12 VAL 38 2HG1 VAL 38 12.166 -20.585 -2.053 289 HG13 VAL 38 3HG1 VAL 38 10.880 -20.603 -3.259 290 HG21 VAL 38 3HG2 VAL 38 11.879 -17.217 -1.227 291 HG22 VAL 38 1HG2 VAL 38 12.116 -18.891 -0.726 292 HG23 VAL 38 2HG2 VAL 38 13.354 -18.072 -1.678 293 H THR 39 H THR 39 9.761 -17.640 -4.750 294 HA THR 39 HA THR 39 9.412 -19.701 -6.541 295 HB THR 39 HB THR 39 7.499 -18.460 -5.826 296 HG1 THR 39 HG1 THR 39 6.618 -18.848 -7.703 297 HG21 THR 39 3HG2 THR 39 8.582 -16.277 -5.538 298 HG22 THR 39 1HG2 THR 39 7.096 -16.138 -6.477 299 HG23 THR 39 2HG2 THR 39 8.660 -16.086 -7.289 300 H ALA 40 H ALA 40 10.763 -16.497 -7.119 301 HA ALA 40 HA ALA 40 10.872 -16.640 -9.932 302 HB1 ALA 40 1HB ALA 40 11.658 -14.569 -9.745 303 HB2 ALA 40 2HB ALA 40 11.520 -14.759 -7.996 304 HB3 ALA 40 3HB ALA 40 13.048 -15.109 -8.803 305 H ALA 41 H ALA 41 13.116 -17.666 -7.412 306 HA ALA 41 HA ALA 41 15.216 -18.364 -9.227 307 HB1 ALA 41 1HB ALA 41 16.240 -18.100 -7.254 308 HB2 ALA 41 2HB ALA 41 14.773 -18.444 -6.337 309 HB3 ALA 41 3HB ALA 41 15.760 -19.770 -6.952 310 H GLU 42 H GLU 42 12.779 -20.209 -7.413 311 HA GLU 42 HA GLU 42 13.560 -22.766 -8.221 312 HB2 GLU 42 2HB GLU 42 10.779 -21.766 -7.578 313 HB3 GLU 42 3HB GLU 42 11.262 -23.455 -7.647 314 HG2 GLU 42 2HG GLU 42 13.005 -22.014 -5.888 315 HG3 GLU 42 3HG GLU 42 11.323 -21.737 -5.438 316 H LYS 43 H LYS 43 11.064 -20.642 -9.619 317 HA LYS 43 HA LYS 43 10.400 -22.331 -11.767 318 HB2 LYS 43 2HB LYS 43 9.116 -20.305 -10.884 319 HB3 LYS 43 3HB LYS 43 10.223 -19.323 -11.835 320 HG2 LYS 43 2HG LYS 43 9.247 -21.338 -13.545 321 HG3 LYS 43 3HG LYS 43 7.862 -20.689 -12.664 322 HD2 LYS 43 2HD LYS 43 9.095 -18.394 -13.281 323 HD3 LYS 43 3HD LYS 43 9.649 -19.385 -14.633 324 HE2 LYS 43 2HE LYS 43 7.305 -19.965 -15.129 325 HE3 LYS 43 3HE LYS 43 6.783 -18.912 -13.815 326 HZ1 LYS 43 3HZ LYS 43 7.015 -18.129 -16.358 327 HZ2 LYS 43 1HZ LYS 43 8.533 -17.677 -15.763 328 HZ3 LYS 43 2HZ LYS 43 7.128 -17.079 -15.037 329 H GLU 44 H GLU 44 13.038 -20.151 -11.266 330 HA GLU 44 HA GLU 44 13.756 -20.097 -14.084 331 HB2 GLU 44 2HB GLU 44 14.820 -18.783 -11.608 332 HB3 GLU 44 3HB GLU 44 15.813 -18.853 -13.057 333 HG2 GLU 44 2HG GLU 44 13.092 -17.592 -12.815 334 HG3 GLU 44 3HG GLU 44 14.635 -16.750 -12.941 335 H ALA 45 H ALA 45 16.365 -20.308 -14.271 336 HA ALA 45 HA ALA 45 17.559 -22.406 -12.773 337 HB1 ALA 45 1HB ALA 45 17.518 -23.626 -15.312 338 HB2 ALA 45 2HB ALA 45 16.793 -24.208 -13.813 339 HB3 ALA 45 3HB ALA 45 15.850 -23.207 -14.918 340 H SER 46 H SER 46 17.468 -20.771 -15.920 341 HA SER 46 HA SER 46 20.370 -20.926 -16.135 342 HB2 SER 46 2HB SER 46 19.055 -21.360 -18.152 343 HB3 SER 46 3HB SER 46 18.303 -19.770 -18.024 344 HG SER 46 HG SER 46 20.819 -20.478 -18.924 345 H GLN 47 H GLN 47 19.653 -19.450 -13.956 346 HA GLN 47 HA GLN 47 20.326 -16.712 -14.802 347 HB2 GLN 47 2HB GLN 47 17.937 -17.260 -13.786 348 HB3 GLN 47 3HB GLN 47 18.818 -17.150 -12.268 349 HG2 GLN 47 2HG GLN 47 18.233 -14.986 -12.424 350 HG3 GLN 47 3HG GLN 47 19.677 -14.901 -13.431 351 HE21 GLN 47 1HE2 GLN 47 17.455 -13.141 -13.544 352 HE22 GLN 47 2HE2 GLN 47 16.743 -13.296 -15.110 353 H LYS 48 H LYS 48 22.083 -15.852 -13.885 354 HA LYS 48 HA LYS 48 23.673 -17.450 -12.111 355 HB2 LYS 48 2HB LYS 48 24.122 -14.603 -13.026 356 HB3 LYS 48 3HB LYS 48 25.318 -15.664 -12.294 357 HG2 LYS 48 2HG LYS 48 24.431 -17.124 -14.448 358 HG3 LYS 48 3HG LYS 48 24.437 -15.467 -15.055 359 HD2 LYS 48 2HD LYS 48 26.612 -15.882 -15.464 360 HD3 LYS 48 3HD LYS 48 26.808 -15.540 -13.743 361 HE2 LYS 48 2HE LYS 48 27.725 -17.567 -13.588 362 HE3 LYS 48 3HE LYS 48 26.093 -18.203 -13.789 363 HZ1 LYS 48 3HZ LYS 48 27.282 -17.556 -16.295 364 HZ2 LYS 48 1HZ LYS 48 26.619 -19.021 -15.768 365 HZ3 LYS 48 2HZ LYS 48 28.237 -18.656 -15.436 366 H VAL 49 H VAL 49 21.533 -14.716 -11.799 367 HA VAL 49 HA VAL 49 22.386 -14.005 -9.150 368 HB VAL 49 HB VAL 49 20.310 -12.606 -9.127 369 HG11 VAL 49 1HG1 VAL 49 21.123 -11.320 -11.334 370 HG12 VAL 49 2HG1 VAL 49 22.021 -11.292 -9.815 371 HG13 VAL 49 3HG1 VAL 49 22.498 -12.399 -11.103 372 HG21 VAL 49 3HG2 VAL 49 19.995 -13.562 -11.971 373 HG22 VAL 49 1HG2 VAL 49 18.989 -14.083 -10.619 374 HG23 VAL 49 2HG2 VAL 49 18.980 -12.394 -11.125 375 H ARG 50 H ARG 50 19.944 -16.079 -10.555 376 HA ARG 50 HA ARG 50 18.134 -16.463 -8.571 377 HB2 ARG 50 2HB ARG 50 17.891 -17.692 -10.590 378 HB3 ARG 50 3HB ARG 50 19.441 -18.494 -10.373 379 HG2 ARG 50 2HG ARG 50 17.764 -19.051 -8.127 380 HG3 ARG 50 3HG ARG 50 16.896 -19.409 -9.621 381 HD2 ARG 50 2HD ARG 50 17.971 -21.384 -9.461 382 HD3 ARG 50 3HD ARG 50 19.299 -20.484 -10.195 383 HE ARG 50 HE ARG 50 19.704 -20.083 -7.564 384 HH11 ARG 50 2HH1 ARG 50 19.138 -22.954 -9.451 385 HH12 ARG 50 1HH1 ARG 50 20.061 -23.981 -8.405 386 HH21 ARG 50 2HH2 ARG 50 20.922 -21.425 -6.179 387 HH22 ARG 50 1HH2 ARG 50 21.075 -23.111 -6.544 388 H ASN 51 H ASN 51 21.378 -17.881 -8.724 389 HA ASN 51 HA ASN 51 21.225 -19.522 -6.478 390 HB2 ASN 51 2HB ASN 51 23.086 -19.621 -8.066 391 HB3 ASN 51 3HB ASN 51 23.624 -18.024 -7.556 392 HD21 ASN 51 1HD2 ASN 51 24.580 -17.772 -5.531 393 HD22 ASN 51 2HD2 ASN 51 25.209 -19.117 -4.647 394 H LEU 52 H LEU 52 22.334 -16.150 -6.719 395 HA LEU 52 HA LEU 52 22.794 -15.862 -3.927 396 HB2 LEU 52 2HB LEU 52 23.719 -14.482 -5.901 397 HB3 LEU 52 3HB LEU 52 22.208 -13.582 -5.783 398 HG LEU 52 HG LEU 52 22.789 -13.018 -3.435 399 HD11 LEU 52 1HD1 LEU 52 24.240 -14.809 -2.839 400 HD12 LEU 52 2HD1 LEU 52 25.185 -13.321 -2.785 401 HD13 LEU 52 3HD1 LEU 52 25.354 -14.423 -4.151 402 HD21 LEU 52 3HD2 LEU 52 23.533 -11.781 -5.690 403 HD22 LEU 52 1HD2 LEU 52 25.124 -12.095 -4.996 404 HD23 LEU 52 2HD2 LEU 52 23.930 -11.173 -4.082 405 H LEU 53 H LEU 53 20.024 -15.433 -5.998 406 HA LEU 53 HA LEU 53 18.436 -13.809 -4.370 407 HB2 LEU 53 2HB LEU 53 17.947 -15.756 -6.548 408 HB3 LEU 53 3HB LEU 53 16.568 -15.318 -5.542 409 HG LEU 53 HG LEU 53 16.482 -13.178 -6.349 410 HD11 LEU 53 1HD1 LEU 53 19.433 -13.457 -6.760 411 HD12 LEU 53 2HD1 LEU 53 18.546 -12.277 -5.795 412 HD13 LEU 53 3HD1 LEU 53 18.527 -12.170 -7.556 413 HD21 LEU 53 3HD2 LEU 53 16.219 -14.888 -8.189 414 HD22 LEU 53 1HD2 LEU 53 17.861 -14.480 -8.685 415 HD23 LEU 53 2HD2 LEU 53 16.601 -13.246 -8.711 416 H LEU 54 H LEU 54 18.705 -17.349 -4.496 417 HA LEU 54 HA LEU 54 16.845 -17.742 -2.350 418 HB2 LEU 54 2HB LEU 54 18.859 -19.692 -3.453 419 HB3 LEU 54 3HB LEU 54 17.419 -20.071 -2.510 420 HG LEU 54 HG LEU 54 16.876 -18.634 -5.007 421 HD11 LEU 54 1HD1 LEU 54 18.190 -19.839 -6.336 422 HD12 LEU 54 2HD1 LEU 54 17.171 -21.221 -5.936 423 HD13 LEU 54 3HD1 LEU 54 18.651 -20.924 -5.024 424 HD21 LEU 54 3HD2 LEU 54 15.280 -20.648 -5.159 425 HD22 LEU 54 1HD2 LEU 54 15.013 -19.459 -3.885 426 HD23 LEU 54 2HD2 LEU 54 15.796 -20.993 -3.508 427 H HIS 55 H HIS 55 20.361 -17.717 -2.677 428 HA HIS 55 HA HIS 55 21.013 -18.612 -0.104 429 HB2 HIS 55 2HB HIS 55 22.604 -18.355 -2.029 430 HB3 HIS 55 3HB HIS 55 22.579 -16.617 -1.748 431 HD1 HIS 55 HD1 HIS 55 24.047 -15.715 0.097 432 HD2 HIS 55 HD2 HIS 55 23.859 -19.865 0.062 433 HE1 HIS 55 HE1 HIS 55 25.801 -16.482 1.728 434 H LYS 56 H LYS 56 20.624 -15.298 -1.338 435 HA LYS 56 HA LYS 56 21.017 -14.099 1.229 436 HB2 LYS 56 2HB LYS 56 20.167 -13.117 -1.469 437 HB3 LYS 56 3HB LYS 56 19.942 -12.083 -0.064 438 HG2 LYS 56 2HG LYS 56 22.515 -12.837 0.279 439 HG3 LYS 56 3HG LYS 56 22.398 -12.842 -1.482 440 HD2 LYS 56 2HD LYS 56 21.101 -10.507 -0.469 441 HD3 LYS 56 3HD LYS 56 22.711 -10.626 0.246 442 HE2 LYS 56 2HE LYS 56 23.673 -10.876 -1.998 443 HE3 LYS 56 3HE LYS 56 22.063 -10.732 -2.700 444 HZ1 LYS 56 3HZ LYS 56 23.778 -8.675 -1.548 445 HZ2 LYS 56 1HZ LYS 56 22.116 -8.520 -1.271 446 HZ3 LYS 56 2HZ LYS 56 22.707 -8.585 -2.855 447 H GLY 57 H GLY 57 18.251 -15.177 -0.631 448 HA2 GLY 57 2HA GLY 57 16.263 -13.850 0.908 449 HA3 GLY 57 3HA GLY 57 16.002 -15.225 -0.156 450 H LYS 58 H LYS 58 17.855 -16.974 1.200 451 HA LYS 58 HA LYS 58 16.091 -17.959 3.225 452 HB2 LYS 58 2HB LYS 58 17.082 -19.788 2.352 453 HB3 LYS 58 3HB LYS 58 18.499 -18.886 1.828 454 HG2 LYS 58 2HG LYS 58 18.133 -19.473 4.727 455 HG3 LYS 58 3HG LYS 58 18.706 -20.743 3.644 456 HD2 LYS 58 2HD LYS 58 20.128 -18.314 3.111 457 HD3 LYS 58 3HD LYS 58 20.202 -18.674 4.838 458 HE2 LYS 58 2HE LYS 58 20.755 -20.785 2.780 459 HE3 LYS 58 3HE LYS 58 22.012 -19.662 3.296 460 HZ1 LYS 58 3HZ LYS 58 22.355 -20.928 5.061 461 HZ2 LYS 58 1HZ LYS 58 21.126 -21.989 4.581 462 HZ3 LYS 58 2HZ LYS 58 20.765 -20.674 5.582 463 H GLU 59 H GLU 59 19.093 -16.159 3.185 464 HA GLU 59 HA GLU 59 19.655 -16.482 5.969 465 HB2 GLU 59 2HB GLU 59 20.781 -14.935 3.711 466 HB3 GLU 59 3HB GLU 59 21.037 -14.256 5.312 467 HG2 GLU 59 2HG GLU 59 21.782 -17.050 4.480 468 HG3 GLU 59 3HG GLU 59 22.891 -15.683 4.568 469 H VAL 60 H VAL 60 18.643 -13.620 4.090 470 HA VAL 60 HA VAL 60 18.108 -11.916 6.189 471 HB VAL 60 HB VAL 60 18.071 -11.183 3.858 472 HG11 VAL 60 1HG1 VAL 60 16.486 -13.352 3.394 473 HG12 VAL 60 2HG1 VAL 60 15.320 -12.030 3.327 474 HG13 VAL 60 3HG1 VAL 60 16.730 -12.018 2.268 475 HG21 VAL 60 3HG2 VAL 60 16.495 -10.255 5.886 476 HG22 VAL 60 1HG2 VAL 60 16.746 -9.440 4.342 477 HG23 VAL 60 2HG2 VAL 60 15.328 -10.461 4.581 478 H LEU 61 H LEU 61 16.187 -14.569 4.974 479 HA LEU 61 HA LEU 61 13.732 -13.916 6.181 480 HB2 LEU 61 2HB LEU 61 14.927 -16.201 4.858 481 HB3 LEU 61 3HB LEU 61 13.878 -16.689 6.188 482 HG LEU 61 HG LEU 61 12.785 -16.621 3.937 483 HD11 LEU 61 1HD1 LEU 61 10.787 -16.117 4.873 484 HD12 LEU 61 2HD1 LEU 61 11.364 -14.600 5.562 485 HD13 LEU 61 3HD1 LEU 61 11.751 -16.130 6.350 486 HD21 LEU 61 3HD2 LEU 61 12.846 -14.813 2.645 487 HD22 LEU 61 1HD2 LEU 61 14.030 -14.139 3.765 488 HD23 LEU 61 2HD2 LEU 61 12.317 -13.770 3.966 489 H GLU 62 H GLU 62 16.450 -15.894 7.326 490 HA GLU 62 HA GLU 62 15.192 -16.370 9.878 491 HB2 GLU 62 2HB GLU 62 17.699 -17.205 8.530 492 HB3 GLU 62 3HB GLU 62 17.729 -17.162 10.288 493 HG2 GLU 62 2HG GLU 62 15.353 -18.466 9.258 494 HG3 GLU 62 3HG GLU 62 16.841 -19.239 8.713 495 H TRP 63 H TRP 63 17.418 -14.089 8.513 496 HA TRP 63 HA TRP 63 18.585 -13.167 10.925 497 HB2 TRP 63 2HB TRP 63 19.583 -12.731 8.720 498 HB3 TRP 63 3HB TRP 63 18.208 -11.715 8.297 499 HD1 TRP 63 HD1 TRP 63 18.836 -9.250 8.443 500 HE1 TRP 63 HE1 TRP 63 20.326 -7.802 9.962 501 HE3 TRP 63 HE3 TRP 63 20.619 -12.899 11.549 502 HZ2 TRP 63 HZ2 TRP 63 22.031 -8.159 12.183 503 HZ3 TRP 63 HZ3 TRP 63 22.175 -12.262 13.345 504 HH2 TRP 63 HH2 TRP 63 22.866 -9.940 13.654 505 H ALA 64 H ALA 64 15.952 -11.837 8.924 506 HA ALA 64 HA ALA 64 15.293 -9.668 10.526 507 HB1 ALA 64 1HB ALA 64 14.236 -9.599 8.496 508 HB2 ALA 64 2HB ALA 64 13.798 -11.307 8.541 509 HB3 ALA 64 3HB ALA 64 12.910 -10.143 9.525 510 H GLU 65 H GLU 65 14.503 -13.053 10.890 511 HA GLU 65 HA GLU 65 12.494 -12.638 12.896 512 HB2 GLU 65 2HB GLU 65 13.996 -15.094 11.989 513 HB3 GLU 65 3HB GLU 65 12.766 -15.127 13.244 514 HG2 GLU 65 2HG GLU 65 11.545 -13.805 11.143 515 HG3 GLU 65 3HG GLU 65 12.479 -15.083 10.368 516 H HIS 66 H HIS 66 15.924 -12.835 12.851 517 HA HIS 66 HA HIS 66 16.497 -13.810 15.394 518 HB2 HIS 66 2HB HIS 66 18.011 -12.939 13.345 519 HB3 HIS 66 3HB HIS 66 18.149 -11.548 14.415 520 HD1 HIS 66 HD1 HIS 66 18.484 -12.749 17.120 521 HD2 HIS 66 HD2 HIS 66 20.250 -14.391 13.736 522 HE1 HIS 66 HE1 HIS 66 20.421 -14.113 17.966 523 H LEU 67 H LEU 67 16.094 -10.412 14.390 524 HA LEU 67 HA LEU 67 16.231 -9.389 17.035 525 HB2 LEU 67 2HB LEU 67 15.563 -7.290 16.083 526 HB3 LEU 67 3HB LEU 67 16.734 -8.066 15.019 527 HG LEU 67 HG LEU 67 14.475 -8.891 13.841 528 HD11 LEU 67 1HD1 LEU 67 13.288 -7.436 15.677 529 HD12 LEU 67 2HD1 LEU 67 12.689 -7.472 14.019 530 HD13 LEU 67 3HD1 LEU 67 13.676 -6.118 14.571 531 HD21 LEU 67 3HD2 LEU 67 14.787 -6.443 12.667 532 HD22 LEU 67 1HD2 LEU 67 15.760 -7.872 12.318 533 HD23 LEU 67 2HD2 LEU 67 16.341 -6.670 13.471 534 H ALA 68 H ALA 68 13.559 -10.242 14.885 535 HA ALA 68 HA ALA 68 11.465 -9.267 16.488 536 HB1 ALA 68 1HB ALA 68 10.721 -9.735 14.385 537 HB2 ALA 68 2HB ALA 68 11.682 -11.209 14.251 538 HB3 ALA 68 3HB ALA 68 10.201 -11.206 15.209 539 H GLU 69 H GLU 69 13.401 -12.139 16.690 540 HA GLU 69 HA GLU 69 11.595 -13.542 18.443 541 HB2 GLU 69 2HB GLU 69 14.279 -14.052 17.273 542 HB3 GLU 69 3HB GLU 69 13.886 -14.887 18.769 543 HG2 GLU 69 2HG GLU 69 11.755 -15.028 16.795 544 HG3 GLU 69 3HG GLU 69 13.270 -15.733 16.236 545 H TRP 70 H TRP 70 14.150 -11.249 18.767 546 HA TRP 70 HA TRP 70 15.219 -11.709 21.236 547 HB2 TRP 70 2HB TRP 70 15.837 -9.820 19.754 548 HB3 TRP 70 3HB TRP 70 14.339 -9.007 20.198 549 HD1 TRP 70 HD1 TRP 70 14.154 -8.126 22.772 550 HE1 TRP 70 HE1 TRP 70 15.993 -7.407 24.423 551 HE3 TRP 70 HE3 TRP 70 18.190 -10.261 20.472 552 HZ2 TRP 70 HZ2 TRP 70 18.785 -7.706 24.713 553 HZ3 TRP 70 HZ3 TRP 70 20.410 -9.997 21.501 554 HH2 TRP 70 HH2 TRP 70 20.699 -8.745 23.577 555 H ILE 71 H ILE 71 12.203 -9.926 20.590 556 HA ILE 71 HA ILE 71 11.486 -9.319 23.186 557 HB ILE 71 HB ILE 71 9.100 -9.432 22.367 558 HG12 ILE 71 2HG1 ILE 71 9.484 -9.533 19.612 559 HG13 ILE 71 3HG1 ILE 71 10.444 -10.875 20.225 560 HG21 ILE 71 1HG2 ILE 71 10.437 -7.869 20.290 561 HG22 ILE 71 2HG2 ILE 71 9.354 -7.351 21.581 562 HG23 ILE 71 3HG2 ILE 71 11.069 -7.594 21.913 563 HD11 ILE 71 3HD1 ILE 71 8.190 -11.573 19.641 564 HD12 ILE 71 1HD1 ILE 71 8.489 -11.760 21.369 565 HD13 ILE 71 2HD1 ILE 71 7.525 -10.404 20.782 566 H LEU 72 H LEU 72 10.979 -12.321 21.395 567 HA LEU 72 HA LEU 72 9.378 -13.587 23.361 568 HB2 LEU 72 2HB LEU 72 11.157 -14.995 21.392 569 HB3 LEU 72 3HB LEU 72 9.653 -15.572 22.107 570 HG LEU 72 HG LEU 72 9.717 -13.206 20.255 571 HD11 LEU 72 1HD1 LEU 72 10.762 -15.203 19.174 572 HD12 LEU 72 2HD1 LEU 72 9.284 -14.635 18.398 573 HD13 LEU 72 3HD1 LEU 72 9.244 -16.063 19.431 574 HD21 LEU 72 3HD2 LEU 72 7.436 -13.430 20.159 575 HD22 LEU 72 1HD2 LEU 72 7.744 -13.941 21.819 576 HD23 LEU 72 2HD2 LEU 72 7.476 -15.147 20.560 577 H GLU 73 H GLU 73 12.847 -13.783 22.605 578 HA GLU 73 HA GLU 73 13.521 -15.640 24.599 579 HB2 GLU 73 2HB GLU 73 14.897 -14.660 22.582 580 HB3 GLU 73 3HB GLU 73 15.442 -13.497 23.783 581 HG2 GLU 73 2HG GLU 73 16.413 -15.191 25.119 582 HG3 GLU 73 3HG GLU 73 15.635 -16.467 24.184 583 H HIS 74 H HIS 74 12.989 -12.201 24.709 584 HA HIS 74 HA HIS 74 14.291 -11.605 27.123 585 HB2 HIS 74 2HB HIS 74 13.207 -10.031 25.353 586 HB3 HIS 74 3HB HIS 74 11.743 -10.240 26.310 587 HD1 HIS 74 HD1 HIS 74 12.290 -7.511 26.478 588 HD2 HIS 74 HD2 HIS 74 14.602 -10.126 28.731 589 HE1 HIS 74 HE1 HIS 74 13.330 -6.104 28.285 Start of MODEL 19 1 H1 MET 1 H MET 1 4.430 0.706 -3.476 2 HA MET 1 HA MET 1 4.511 -0.393 -1.395 3 HB2 MET 1 2HB MET 1 2.339 0.548 -0.711 4 HB3 MET 1 3HB MET 1 1.513 -0.649 -1.700 5 HG2 MET 1 2HG MET 1 1.737 -2.252 -0.164 6 HG3 MET 1 3HG MET 1 3.396 -1.794 0.214 7 HE1 MET 1 3HE MET 1 3.642 -0.071 3.027 8 HE2 MET 1 1HE MET 1 4.056 0.133 1.325 9 HE3 MET 1 2HE MET 1 3.034 1.322 2.132 10 H GLY 2 H GLY 2 5.714 -1.864 -2.656 11 HA2 GLY 2 2HA GLY 2 4.761 -4.491 -2.707 12 HA3 GLY 2 3HA GLY 2 4.571 -3.832 -4.325 13 H THR 3 H THR 3 7.017 -4.069 -1.746 14 HA THR 3 HA THR 3 8.935 -5.133 -3.627 15 HB THR 3 HB THR 3 9.274 -2.771 -4.042 16 HG1 THR 3 HG1 THR 3 11.386 -3.013 -3.944 17 HG21 THR 3 3HG2 THR 3 8.327 -1.961 -1.891 18 HG22 THR 3 1HG2 THR 3 9.863 -1.202 -2.304 19 HG23 THR 3 2HG2 THR 3 9.808 -2.475 -1.085 20 H ILE 4 H ILE 4 10.702 -6.135 -2.631 21 HA ILE 4 HA ILE 4 10.286 -7.335 -0.182 22 HB ILE 4 HB ILE 4 12.939 -6.789 -1.518 23 HG12 ILE 4 2HG1 ILE 4 11.427 -8.032 -2.961 24 HG13 ILE 4 3HG1 ILE 4 12.685 -9.107 -2.361 25 HG21 ILE 4 1HG2 ILE 4 12.993 -9.183 -0.032 26 HG22 ILE 4 2HG2 ILE 4 13.901 -7.700 0.260 27 HG23 ILE 4 3HG2 ILE 4 12.330 -7.936 1.025 28 HD11 ILE 4 3HD1 ILE 4 11.104 -10.494 -1.693 29 HD12 ILE 4 1HD1 ILE 4 10.574 -9.281 -0.528 30 HD13 ILE 4 2HD1 ILE 4 9.849 -9.337 -2.136 31 H ASP 5 H ASP 5 12.157 -4.417 -0.911 32 HA ASP 5 HA ASP 5 13.306 -3.939 1.553 33 HB2 ASP 5 2HB ASP 5 12.505 -2.268 -0.751 34 HB3 ASP 5 3HB ASP 5 12.729 -1.410 0.771 35 H ASP 6 H ASP 6 9.992 -3.537 0.555 36 HA ASP 6 HA ASP 6 9.089 -1.839 2.594 37 HB2 ASP 6 2HB ASP 6 7.853 -2.611 0.484 38 HB3 ASP 6 3HB ASP 6 7.430 -4.054 1.402 39 H ALA 7 H ALA 7 9.598 -5.314 2.509 40 HA ALA 7 HA ALA 7 8.277 -5.940 4.926 41 HB1 ALA 7 1HB ALA 7 10.196 -7.864 4.722 42 HB2 ALA 7 2HB ALA 7 8.635 -7.900 3.900 43 HB3 ALA 7 3HB ALA 7 10.064 -7.307 3.053 44 H PHE 8 H PHE 8 11.739 -5.456 4.225 45 HA PHE 8 HA PHE 8 12.721 -5.770 6.795 46 HB2 PHE 8 2HB PHE 8 13.783 -3.781 4.784 47 HB3 PHE 8 3HB PHE 8 14.682 -4.586 6.067 48 HD1 PHE 8 HD1 PHE 8 13.733 -7.364 5.750 49 HD2 PHE 8 HD2 PHE 8 14.851 -4.466 2.840 50 HE1 PHE 8 HE1 PHE 8 14.342 -9.169 4.192 51 HE2 PHE 8 HE2 PHE 8 15.461 -6.266 1.277 52 HZ PHE 8 HZ PHE 8 15.206 -8.621 1.952 53 H ARG 9 H ARG 9 11.119 -3.028 5.336 54 HA ARG 9 HA ARG 9 11.777 -1.187 7.432 55 HB2 ARG 9 2HB ARG 9 9.692 -1.073 5.246 56 HB3 ARG 9 3HB ARG 9 10.047 0.252 6.347 57 HG2 ARG 9 2HG ARG 9 12.229 0.520 5.461 58 HG3 ARG 9 3HG ARG 9 12.114 -0.989 4.553 59 HD2 ARG 9 2HD ARG 9 10.715 -0.079 2.962 60 HD3 ARG 9 3HD ARG 9 10.128 1.179 4.049 61 HE ARG 9 HE ARG 9 12.438 1.299 2.347 62 HH11 ARG 9 2HH1 ARG 9 10.950 2.541 5.238 63 HH12 ARG 9 1HH1 ARG 9 11.833 4.032 5.209 64 HH21 ARG 9 2HH2 ARG 9 13.607 3.257 2.297 65 HH22 ARG 9 1HH2 ARG 9 13.344 4.438 3.535 66 H ALA 10 H ALA 10 9.192 -3.440 6.784 67 HA ALA 10 HA ALA 10 7.405 -2.400 8.768 68 HB1 ALA 10 1HB ALA 10 5.919 -3.860 7.940 69 HB2 ALA 10 2HB ALA 10 7.100 -4.075 6.646 70 HB3 ALA 10 3HB ALA 10 7.058 -5.206 7.999 71 H ILE 11 H ILE 11 10.047 -4.645 8.736 72 HA ILE 11 HA ILE 11 9.540 -6.259 10.907 73 HB ILE 11 HB ILE 11 11.616 -6.139 9.330 74 HG12 ILE 11 2HG1 ILE 11 12.867 -6.979 11.700 75 HG13 ILE 11 3HG1 ILE 11 11.151 -7.283 11.944 76 HG21 ILE 11 1HG2 ILE 11 12.820 -4.736 11.690 77 HG22 ILE 11 2HG2 ILE 11 13.503 -4.993 10.085 78 HG23 ILE 11 3HG2 ILE 11 12.190 -3.837 10.309 79 HD11 ILE 11 3HD1 ILE 11 11.627 -8.212 9.390 80 HD12 ILE 11 1HD1 ILE 11 13.067 -8.682 10.293 81 HD13 ILE 11 2HD1 ILE 11 11.471 -9.185 10.852 82 H GLU 12 H GLU 12 10.349 -2.875 10.855 83 HA GLU 12 HA GLU 12 11.289 -2.471 13.428 84 HB2 GLU 12 2HB GLU 12 10.499 -0.857 11.301 85 HB3 GLU 12 3HB GLU 12 9.436 -0.382 12.618 86 HG2 GLU 12 2HG GLU 12 11.333 0.095 14.031 87 HG3 GLU 12 3HG GLU 12 12.438 -0.483 12.785 88 H ARG 13 H ARG 13 8.023 -3.029 12.304 89 HA ARG 13 HA ARG 13 6.738 -2.291 14.745 90 HB2 ARG 13 2HB ARG 13 5.913 -2.909 12.157 91 HB3 ARG 13 3HB ARG 13 5.268 -4.217 13.141 92 HG2 ARG 13 2HG ARG 13 3.546 -2.803 13.412 93 HG3 ARG 13 3HG ARG 13 4.581 -2.104 14.660 94 HD2 ARG 13 2HD ARG 13 5.484 -0.556 12.900 95 HD3 ARG 13 3HD ARG 13 4.228 -1.162 11.821 96 HE ARG 13 HE ARG 13 3.041 -0.296 14.213 97 HH11 ARG 13 2HH1 ARG 13 4.660 0.981 11.408 98 HH12 ARG 13 1HH1 ARG 13 3.837 2.504 11.465 99 HH21 ARG 13 2HH2 ARG 13 1.950 1.706 14.299 100 HH22 ARG 13 1HH2 ARG 13 2.296 2.916 13.110 101 H ALA 14 H ALA 14 8.020 -5.272 13.407 102 HA ALA 14 HA ALA 14 6.863 -7.089 15.203 103 HB1 ALA 14 1HB ALA 14 9.233 -8.267 14.636 104 HB2 ALA 14 2HB ALA 14 7.829 -8.292 13.567 105 HB3 ALA 14 3HB ALA 14 9.112 -7.109 13.311 106 H ILE 15 H ILE 15 10.032 -5.466 15.325 107 HA ILE 15 HA ILE 15 10.747 -6.535 17.855 108 HB ILE 15 HB ILE 15 12.408 -5.668 16.243 109 HG12 ILE 15 2HG1 ILE 15 13.237 -3.906 18.287 110 HG13 ILE 15 3HG1 ILE 15 12.300 -5.170 19.076 111 HG21 ILE 15 1HG2 ILE 15 11.122 -3.721 15.478 112 HG22 ILE 15 2HG2 ILE 15 11.376 -2.951 17.044 113 HG23 ILE 15 3HG2 ILE 15 12.751 -3.278 15.989 114 HD11 ILE 15 3HD1 ILE 15 13.905 -6.582 17.359 115 HD12 ILE 15 1HD1 ILE 15 14.951 -5.268 17.896 116 HD13 ILE 15 2HD1 ILE 15 14.193 -6.333 19.081 117 H GLN 16 H GLN 16 9.040 -3.653 16.829 118 HA GLN 16 HA GLN 16 9.168 -2.136 19.156 119 HB2 GLN 16 2HB GLN 16 7.469 -2.242 16.779 120 HB3 GLN 16 3HB GLN 16 6.622 -1.661 18.206 121 HG2 GLN 16 2HG GLN 16 8.983 -0.273 18.303 122 HG3 GLN 16 3HG GLN 16 8.651 -0.364 16.574 123 HE21 GLN 16 1HE2 GLN 16 7.043 0.840 15.719 124 HE22 GLN 16 2HE2 GLN 16 6.065 1.938 16.626 125 H ALA 17 H ALA 17 7.455 -5.055 18.502 126 HA ALA 17 HA ALA 17 5.315 -4.988 20.222 127 HB1 ALA 17 1HB ALA 17 6.329 -6.885 18.666 128 HB2 ALA 17 2HB ALA 17 6.932 -7.475 20.215 129 HB3 ALA 17 3HB ALA 17 5.200 -7.246 19.972 130 H GLU 18 H GLU 18 8.711 -5.593 21.000 131 HA GLU 18 HA GLU 18 9.851 -5.595 22.968 132 HB2 GLU 18 2HB GLU 18 7.435 -4.133 24.047 133 HB3 GLU 18 3HB GLU 18 9.036 -4.177 24.772 134 HG2 GLU 18 2HG GLU 18 9.046 -3.240 22.014 135 HG3 GLU 18 3HG GLU 18 8.085 -2.235 23.097 136 H ASN 19 H ASN 19 7.728 -7.661 22.313 137 HA ASN 19 HA ASN 19 8.097 -9.317 24.536 138 HB2 ASN 19 2HB ASN 19 6.582 -7.946 25.772 139 HB3 ASN 19 3HB ASN 19 5.438 -7.891 24.434 140 HD21 ASN 19 1HD2 ASN 19 3.680 -8.892 25.116 141 HD22 ASN 19 2HD2 ASN 19 3.630 -10.455 25.850 142 H GLU 20 H GLU 20 5.081 -8.881 22.718 143 HA GLU 20 HA GLU 20 5.607 -10.622 20.612 144 HB2 GLU 20 2HB GLU 20 4.220 -12.599 21.448 145 HB3 GLU 20 3HB GLU 20 5.860 -12.453 22.065 146 HG2 GLU 20 2HG GLU 20 5.158 -11.841 24.173 147 HG3 GLU 20 3HG GLU 20 3.590 -11.275 23.600 148 H GLY 21 H GLY 21 4.366 -9.100 19.528 149 HA2 GLY 21 2HA GLY 21 1.471 -9.438 19.883 150 HA3 GLY 21 3HA GLY 21 2.133 -7.810 19.895 151 H ARG 22 H ARG 22 3.238 -7.063 17.960 152 HA ARG 22 HA ARG 22 1.827 -7.908 15.591 153 HB2 ARG 22 2HB ARG 22 3.562 -5.631 16.362 154 HB3 ARG 22 3HB ARG 22 3.557 -6.069 14.659 155 HG2 ARG 22 2HG ARG 22 1.921 -4.388 14.944 156 HG3 ARG 22 3HG ARG 22 1.053 -5.910 14.728 157 HD2 ARG 22 2HD ARG 22 0.276 -5.927 16.862 158 HD3 ARG 22 3HD ARG 22 1.711 -5.130 17.505 159 HE ARG 22 HE ARG 22 0.642 -3.127 17.272 160 HH11 ARG 22 2HH1 ARG 22 -0.958 -5.489 15.277 161 HH12 ARG 22 1HH1 ARG 22 -2.254 -4.429 14.833 162 HH21 ARG 22 2HH2 ARG 22 -1.059 -1.721 16.696 163 HH22 ARG 22 1HH2 ARG 22 -2.310 -2.285 15.641 164 H TYR 23 H TYR 23 4.857 -8.548 17.058 165 HA TYR 23 HA TYR 23 6.552 -9.045 14.948 166 HB2 TYR 23 2HB TYR 23 7.835 -10.344 16.412 167 HB3 TYR 23 3HB TYR 23 6.958 -9.264 17.491 168 HD1 TYR 23 HD1 TYR 23 4.463 -10.352 18.040 169 HD2 TYR 23 HD2 TYR 23 8.061 -12.477 17.237 170 HE1 TYR 23 HE1 TYR 23 3.586 -12.290 19.274 171 HE2 TYR 23 HE2 TYR 23 7.194 -14.422 18.468 172 HH TYR 23 HH TYR 23 5.004 -15.358 19.124 173 H ARG 24 H ARG 24 3.777 -10.863 15.985 174 HA ARG 24 HA ARG 24 4.400 -13.252 14.545 175 HB2 ARG 24 2HB ARG 24 2.071 -13.884 15.014 176 HB3 ARG 24 3HB ARG 24 2.891 -13.307 16.458 177 HG2 ARG 24 2HG ARG 24 1.056 -12.069 16.747 178 HG3 ARG 24 3HG ARG 24 1.770 -11.014 15.526 179 HD2 ARG 24 2HD ARG 24 0.427 -11.875 13.825 180 HD3 ARG 24 3HD ARG 24 0.041 -13.331 14.741 181 HE ARG 24 HE ARG 24 -1.373 -10.872 14.791 182 HH11 ARG 24 2HH1 ARG 24 -0.383 -13.533 16.805 183 HH12 ARG 24 1HH1 ARG 24 -1.705 -13.358 17.911 184 HH21 ARG 24 2HH2 ARG 24 -3.118 -10.631 16.240 185 HH22 ARG 24 1HH2 ARG 24 -3.261 -11.708 17.588 186 H GLU 25 H GLU 25 2.500 -10.354 13.881 187 HA GLU 25 HA GLU 25 1.495 -11.324 11.376 188 HB2 GLU 25 2HB GLU 25 1.270 -8.867 12.980 189 HB3 GLU 25 3HB GLU 25 1.208 -8.610 11.242 190 HG2 GLU 25 2HG GLU 25 -0.573 -10.448 12.825 191 HG3 GLU 25 3HG GLU 25 -1.017 -8.874 12.168 192 H ALA 26 H ALA 26 4.153 -9.249 12.404 193 HA ALA 26 HA ALA 26 4.933 -8.336 9.859 194 HB1 ALA 26 1HB ALA 26 6.136 -7.089 11.257 195 HB2 ALA 26 2HB ALA 26 5.995 -8.273 12.556 196 HB3 ALA 26 3HB ALA 26 7.263 -8.442 11.342 197 H LEU 27 H LEU 27 6.133 -11.062 11.811 198 HA LEU 27 HA LEU 27 8.006 -11.977 9.915 199 HB2 LEU 27 2HB LEU 27 6.582 -13.377 12.166 200 HB3 LEU 27 3HB LEU 27 7.841 -14.139 11.196 201 HG LEU 27 HG LEU 27 8.155 -11.759 13.022 202 HD11 LEU 27 1HD1 LEU 27 9.374 -13.164 14.437 203 HD12 LEU 27 2HD1 LEU 27 9.532 -14.418 13.207 204 HD13 LEU 27 3HD1 LEU 27 7.970 -14.125 13.971 205 HD21 LEU 27 3HD2 LEU 27 10.624 -12.162 12.445 206 HD22 LEU 27 1HD2 LEU 27 9.626 -11.304 11.271 207 HD23 LEU 27 2HD2 LEU 27 10.009 -13.008 11.023 208 H LYS 28 H LYS 28 4.579 -12.457 10.262 209 HA LYS 28 HA LYS 28 4.311 -14.759 8.647 210 HB2 LYS 28 2HB LYS 28 2.593 -13.655 10.229 211 HB3 LYS 28 3HB LYS 28 2.214 -12.613 8.864 212 HG2 LYS 28 2HG LYS 28 2.242 -15.492 8.274 213 HG3 LYS 28 3HG LYS 28 0.979 -14.953 9.383 214 HD2 LYS 28 2HD LYS 28 -0.060 -13.674 7.795 215 HD3 LYS 28 3HD LYS 28 1.434 -13.375 6.903 216 HE2 LYS 28 2HE LYS 28 0.909 -16.162 6.820 217 HE3 LYS 28 3HE LYS 28 -0.584 -15.320 6.406 218 HZ1 LYS 28 3HZ LYS 28 0.335 -14.412 4.542 219 HZ2 LYS 28 1HZ LYS 28 1.190 -15.871 4.592 220 HZ3 LYS 28 2HZ LYS 28 1.915 -14.447 5.145 221 H HIS 29 H HIS 29 4.496 -11.334 7.919 222 HA HIS 29 HA HIS 29 3.759 -11.649 5.158 223 HB2 HIS 29 2HB HIS 29 3.698 -9.529 6.800 224 HB3 HIS 29 3HB HIS 29 5.261 -9.242 6.041 225 HD1 HIS 29 HD1 HIS 29 5.054 -7.713 4.125 226 HD2 HIS 29 HD2 HIS 29 1.689 -10.116 4.536 227 HE1 HIS 29 HE1 HIS 29 3.512 -7.037 2.257 228 H PHE 30 H PHE 30 6.777 -11.174 6.951 229 HA PHE 30 HA PHE 30 8.490 -10.982 4.736 230 HB2 PHE 30 2HB PHE 30 9.236 -12.185 7.402 231 HB3 PHE 30 3HB PHE 30 10.286 -11.343 6.266 232 HD1 PHE 30 HD2 PHE 30 8.446 -9.031 5.650 233 HD2 PHE 30 HD1 PHE 30 9.569 -10.871 9.320 234 HE1 PHE 30 HE2 PHE 30 8.029 -6.915 6.834 235 HE2 PHE 30 HE1 PHE 30 9.153 -8.758 10.510 236 HZ PHE 30 HZ PHE 30 8.383 -6.776 9.267 237 H LEU 31 H LEU 31 7.444 -13.785 6.635 238 HA LEU 31 HA LEU 31 9.037 -15.710 5.367 239 HB2 LEU 31 2HB LEU 31 6.806 -15.659 7.200 240 HB3 LEU 31 3HB LEU 31 6.653 -16.987 6.050 241 HG LEU 31 HG LEU 31 8.965 -17.705 6.724 242 HD11 LEU 31 1HD1 LEU 31 10.069 -16.780 8.528 243 HD12 LEU 31 2HD1 LEU 31 8.613 -16.013 9.162 244 HD13 LEU 31 3HD1 LEU 31 9.404 -15.354 7.731 245 HD21 LEU 31 3HD2 LEU 31 6.746 -17.647 8.760 246 HD22 LEU 31 1HD2 LEU 31 8.201 -18.631 8.924 247 HD23 LEU 31 2HD2 LEU 31 7.096 -18.909 7.578 248 H ASP 32 H ASP 32 5.968 -14.277 4.480 249 HA ASP 32 HA ASP 32 5.335 -16.144 2.423 250 HB2 ASP 32 2HB ASP 32 3.703 -14.601 3.595 251 HB3 ASP 32 3HB ASP 32 4.367 -13.291 2.623 252 H GLY 33 H GLY 33 6.922 -12.979 2.481 253 HA2 GLY 33 2HA GLY 33 7.186 -12.710 -0.325 254 HA3 GLY 33 3HA GLY 33 8.129 -11.852 0.884 255 H GLY 34 H GLY 34 9.328 -14.075 2.146 256 HA2 GLY 34 2HA GLY 34 11.585 -14.449 0.525 257 HA3 GLY 34 3HA GLY 34 11.204 -15.382 1.965 258 H GLU 35 H GLU 35 8.644 -16.312 0.808 259 HA GLU 35 HA GLU 35 9.710 -18.611 -0.560 260 HB2 GLU 35 2HB GLU 35 6.845 -17.875 0.067 261 HB3 GLU 35 3HB GLU 35 7.398 -19.441 -0.508 262 HG2 GLU 35 2HG GLU 35 8.915 -18.796 1.788 263 HG3 GLU 35 3HG GLU 35 7.221 -18.477 2.157 264 H MET 36 H MET 36 8.426 -15.593 -1.476 265 HA MET 36 HA MET 36 7.329 -16.378 -4.000 266 HB2 MET 36 2HB MET 36 7.632 -13.928 -2.471 267 HB3 MET 36 3HB MET 36 7.986 -13.673 -4.175 268 HG2 MET 36 2HG MET 36 5.590 -15.257 -3.762 269 HG3 MET 36 3HG MET 36 5.498 -13.671 -3.000 270 HE1 MET 36 3HE MET 36 3.345 -13.295 -6.010 271 HE2 MET 36 1HE MET 36 3.520 -13.499 -4.267 272 HE3 MET 36 2HE MET 36 3.872 -11.940 -5.012 273 H ILE 37 H ILE 37 10.432 -15.127 -2.888 274 HA ILE 37 HA ILE 37 11.515 -14.855 -5.532 275 HB ILE 37 HB ILE 37 12.262 -13.563 -3.464 276 HG12 ILE 37 2HG1 ILE 37 14.568 -14.877 -4.879 277 HG13 ILE 37 3HG1 ILE 37 13.459 -13.823 -5.748 278 HG21 ILE 37 1HG2 ILE 37 13.502 -14.522 -1.827 279 HG22 ILE 37 2HG2 ILE 37 12.580 -15.946 -2.306 280 HG23 ILE 37 3HG2 ILE 37 14.219 -15.712 -2.913 281 HD11 ILE 37 3HD1 ILE 37 14.091 -12.313 -3.566 282 HD12 ILE 37 1HD1 ILE 37 15.600 -13.168 -3.885 283 HD13 ILE 37 2HD1 ILE 37 14.853 -12.193 -5.152 284 H VAL 38 H VAL 38 11.299 -17.381 -3.172 285 HA VAL 38 HA VAL 38 13.448 -18.996 -4.026 286 HB VAL 38 HB VAL 38 10.848 -19.800 -2.715 287 HG11 VAL 38 1HG1 VAL 38 11.639 -21.797 -3.590 288 HG12 VAL 38 2HG1 VAL 38 13.329 -21.339 -3.374 289 HG13 VAL 38 3HG1 VAL 38 12.347 -21.775 -1.975 290 HG21 VAL 38 3HG2 VAL 38 13.319 -19.867 -1.156 291 HG22 VAL 38 1HG2 VAL 38 12.859 -18.251 -1.693 292 HG23 VAL 38 2HG2 VAL 38 11.733 -19.218 -0.740 293 H THR 39 H THR 39 9.971 -19.197 -4.791 294 HA THR 39 HA THR 39 10.076 -21.310 -6.582 295 HB THR 39 HB THR 39 7.947 -20.482 -5.807 296 HG1 THR 39 HG1 THR 39 7.175 -21.182 -7.640 297 HG21 THR 39 3HG2 THR 39 8.666 -17.967 -7.309 298 HG22 THR 39 1HG2 THR 39 8.372 -18.137 -5.579 299 HG23 THR 39 2HG2 THR 39 7.043 -18.329 -6.723 300 H ALA 40 H ALA 40 10.925 -17.956 -7.033 301 HA ALA 40 HA ALA 40 10.949 -17.966 -9.874 302 HB1 ALA 40 1HB ALA 40 12.763 -16.033 -9.126 303 HB2 ALA 40 2HB ALA 40 11.029 -15.800 -9.349 304 HB3 ALA 40 3HB ALA 40 11.675 -16.128 -7.741 305 H ALA 41 H ALA 41 13.414 -18.572 -7.411 306 HA ALA 41 HA ALA 41 15.558 -18.859 -9.276 307 HB1 ALA 41 1HB ALA 41 16.279 -20.223 -6.959 308 HB2 ALA 41 2HB ALA 41 16.655 -18.549 -7.368 309 HB3 ALA 41 3HB ALA 41 15.221 -18.922 -6.411 310 H GLU 42 H GLU 42 13.322 -21.071 -7.688 311 HA GLU 42 HA GLU 42 14.603 -23.470 -8.457 312 HB2 GLU 42 2HB GLU 42 11.749 -22.854 -7.698 313 HB3 GLU 42 3HB GLU 42 12.312 -24.482 -8.048 314 HG2 GLU 42 2HG GLU 42 14.134 -23.463 -6.202 315 HG3 GLU 42 3HG GLU 42 12.550 -22.937 -5.635 316 H LYS 43 H LYS 43 11.851 -21.712 -9.871 317 HA LYS 43 HA LYS 43 11.514 -23.461 -12.068 318 HB2 LYS 43 2HB LYS 43 10.416 -20.912 -11.166 319 HB3 LYS 43 3HB LYS 43 10.560 -21.003 -12.916 320 HG2 LYS 43 2HG LYS 43 8.997 -22.645 -13.101 321 HG3 LYS 43 3HG LYS 43 9.354 -23.319 -11.509 322 HD2 LYS 43 2HD LYS 43 7.864 -21.983 -10.473 323 HD3 LYS 43 3HD LYS 43 8.257 -20.592 -11.485 324 HE2 LYS 43 2HE LYS 43 6.797 -22.875 -12.714 325 HE3 LYS 43 3HE LYS 43 5.911 -21.799 -11.635 326 HZ1 LYS 43 3HZ LYS 43 5.805 -20.273 -13.220 327 HZ2 LYS 43 1HZ LYS 43 6.475 -21.387 -14.303 328 HZ3 LYS 43 2HZ LYS 43 7.478 -20.309 -13.469 329 H GLU 44 H GLU 44 13.679 -20.833 -11.451 330 HA GLU 44 HA GLU 44 14.410 -20.549 -14.251 331 HB2 GLU 44 2HB GLU 44 15.259 -19.163 -11.720 332 HB3 GLU 44 3HB GLU 44 16.136 -18.934 -13.226 333 HG2 GLU 44 2HG GLU 44 13.214 -18.355 -12.798 334 HG3 GLU 44 3HG GLU 44 14.508 -17.159 -12.826 335 H ALA 45 H ALA 45 17.012 -20.250 -14.396 336 HA ALA 45 HA ALA 45 18.599 -22.081 -12.937 337 HB1 ALA 45 1HB ALA 45 18.984 -23.590 -15.029 338 HB2 ALA 45 2HB ALA 45 17.628 -23.908 -13.947 339 HB3 ALA 45 3HB ALA 45 17.360 -23.060 -15.469 340 H SER 46 H SER 46 18.154 -20.586 -16.128 341 HA SER 46 HA SER 46 21.011 -20.206 -16.439 342 HB2 SER 46 2HB SER 46 18.919 -19.019 -18.245 343 HB3 SER 46 3HB SER 46 20.556 -19.540 -18.642 344 HG SER 46 HG SER 46 19.792 -21.715 -18.156 345 H GLN 47 H GLN 47 20.447 -18.932 -14.204 346 HA GLN 47 HA GLN 47 20.699 -16.116 -14.950 347 HB2 GLN 47 2HB GLN 47 18.299 -16.868 -14.146 348 HB3 GLN 47 3HB GLN 47 19.039 -16.767 -12.554 349 HG2 GLN 47 2HG GLN 47 18.211 -14.661 -12.730 350 HG3 GLN 47 3HG GLN 47 19.809 -14.410 -13.429 351 HE21 GLN 47 1HE2 GLN 47 16.831 -13.436 -13.791 352 HE22 GLN 47 2HE2 GLN 47 16.711 -13.295 -15.509 353 H LYS 48 H LYS 48 22.181 -15.023 -13.777 354 HA LYS 48 HA LYS 48 23.870 -16.523 -12.005 355 HB2 LYS 48 2HB LYS 48 23.963 -13.569 -12.639 356 HB3 LYS 48 3HB LYS 48 25.256 -14.537 -11.943 357 HG2 LYS 48 2HG LYS 48 24.524 -15.787 -14.356 358 HG3 LYS 48 3HG LYS 48 24.639 -14.057 -14.687 359 HD2 LYS 48 2HD LYS 48 26.809 -14.844 -15.048 360 HD3 LYS 48 3HD LYS 48 26.871 -14.168 -13.419 361 HE2 LYS 48 2HE LYS 48 27.610 -16.126 -12.678 362 HE3 LYS 48 3HE LYS 48 26.071 -16.849 -13.139 363 HZ1 LYS 48 3HZ LYS 48 28.600 -16.774 -14.655 364 HZ2 LYS 48 1HZ LYS 48 27.126 -17.006 -15.451 365 HZ3 LYS 48 2HZ LYS 48 27.632 -18.107 -14.271 366 H VAL 49 H VAL 49 21.362 -14.112 -11.675 367 HA VAL 49 HA VAL 49 21.904 -13.546 -8.913 368 HB VAL 49 HB VAL 49 19.663 -12.424 -8.967 369 HG11 VAL 49 1HG1 VAL 49 21.934 -11.412 -9.655 370 HG12 VAL 49 2HG1 VAL 49 21.299 -11.499 -11.300 371 HG13 VAL 49 3HG1 VAL 49 20.459 -10.543 -10.079 372 HG21 VAL 49 3HG2 VAL 49 19.719 -13.113 -11.902 373 HG22 VAL 49 1HG2 VAL 49 18.695 -13.914 -10.710 374 HG23 VAL 49 2HG2 VAL 49 18.480 -12.196 -11.045 375 H ARG 50 H ARG 50 19.882 -15.778 -10.688 376 HA ARG 50 HA ARG 50 17.974 -16.555 -8.926 377 HB2 ARG 50 2HB ARG 50 18.087 -17.636 -11.042 378 HB3 ARG 50 3HB ARG 50 19.703 -18.250 -10.721 379 HG2 ARG 50 2HG ARG 50 17.998 -19.226 -8.683 380 HG3 ARG 50 3HG ARG 50 17.197 -19.489 -10.234 381 HD2 ARG 50 2HD ARG 50 18.451 -21.367 -10.243 382 HD3 ARG 50 3HD ARG 50 19.687 -20.274 -10.865 383 HE ARG 50 HE ARG 50 20.787 -20.378 -8.825 384 HH11 ARG 50 2HH1 ARG 50 17.747 -22.069 -8.686 385 HH12 ARG 50 1HH1 ARG 50 18.108 -22.862 -7.189 386 HH21 ARG 50 2HH2 ARG 50 21.273 -21.416 -6.853 387 HH22 ARG 50 1HH2 ARG 50 20.113 -22.489 -6.146 388 H ASN 51 H ASN 51 21.405 -17.341 -8.770 389 HA ASN 51 HA ASN 51 21.221 -19.196 -6.638 390 HB2 ASN 51 2HB ASN 51 23.186 -19.140 -8.064 391 HB3 ASN 51 3HB ASN 51 23.537 -17.487 -7.569 392 HD21 ASN 51 1HD2 ASN 51 24.897 -17.209 -5.950 393 HD22 ASN 51 2HD2 ASN 51 25.388 -18.424 -4.823 394 H LEU 52 H LEU 52 22.087 -15.744 -6.712 395 HA LEU 52 HA LEU 52 22.377 -15.481 -3.912 396 HB2 LEU 52 2HB LEU 52 23.155 -13.940 -5.850 397 HB3 LEU 52 3HB LEU 52 21.557 -13.215 -5.685 398 HG LEU 52 HG LEU 52 22.070 -12.634 -3.358 399 HD11 LEU 52 1HD1 LEU 52 24.738 -13.879 -3.986 400 HD12 LEU 52 2HD1 LEU 52 23.588 -14.370 -2.743 401 HD13 LEU 52 3HD1 LEU 52 24.437 -12.831 -2.600 402 HD21 LEU 52 3HD2 LEU 52 23.155 -10.725 -3.921 403 HD22 LEU 52 1HD2 LEU 52 22.826 -11.313 -5.551 404 HD23 LEU 52 2HD2 LEU 52 24.412 -11.572 -4.824 405 H LEU 53 H LEU 53 19.632 -15.340 -6.049 406 HA LEU 53 HA LEU 53 17.801 -13.946 -4.496 407 HB2 LEU 53 2HB LEU 53 17.638 -16.005 -6.613 408 HB3 LEU 53 3HB LEU 53 16.192 -15.761 -5.635 409 HG LEU 53 HG LEU 53 15.791 -13.680 -6.501 410 HD11 LEU 53 1HD1 LEU 53 18.755 -13.514 -6.820 411 HD12 LEU 53 2HD1 LEU 53 17.652 -12.426 -5.978 412 HD13 LEU 53 3HD1 LEU 53 17.708 -12.434 -7.740 413 HD21 LEU 53 3HD2 LEU 53 15.564 -14.089 -8.691 414 HD22 LEU 53 1HD2 LEU 53 16.300 -15.648 -8.319 415 HD23 LEU 53 2HD2 LEU 53 17.296 -14.325 -8.927 416 H LEU 54 H LEU 54 18.651 -17.385 -4.425 417 HA LEU 54 HA LEU 54 16.775 -18.011 -2.353 418 HB2 LEU 54 2HB LEU 54 19.125 -19.526 -3.472 419 HB3 LEU 54 3HB LEU 54 18.021 -20.174 -2.261 420 HG LEU 54 HG LEU 54 16.875 -19.196 -4.828 421 HD11 LEU 54 1HD1 LEU 54 18.931 -21.187 -4.696 422 HD12 LEU 54 2HD1 LEU 54 18.053 -20.578 -6.098 423 HD13 LEU 54 3HD1 LEU 54 17.404 -21.930 -5.171 424 HD21 LEU 54 3HD2 LEU 54 16.264 -21.473 -2.947 425 HD22 LEU 54 1HD2 LEU 54 15.366 -21.110 -4.421 426 HD23 LEU 54 2HD2 LEU 54 15.381 -19.952 -3.091 427 H HIS 55 H HIS 55 20.299 -17.580 -2.485 428 HA HIS 55 HA HIS 55 20.899 -18.124 0.169 429 HB2 HIS 55 2HB HIS 55 22.409 -17.493 -1.917 430 HB3 HIS 55 3HB HIS 55 22.334 -15.888 -1.195 431 HD1 HIS 55 HD1 HIS 55 23.228 -15.750 1.345 432 HD2 HIS 55 HD2 HIS 55 24.234 -19.172 -0.784 433 HE1 HIS 55 HE1 HIS 55 25.131 -16.796 2.614 434 H LYS 56 H LYS 56 20.093 -14.988 -1.309 435 HA LYS 56 HA LYS 56 20.098 -13.616 1.208 436 HB2 LYS 56 2HB LYS 56 19.246 -12.858 -1.579 437 HB3 LYS 56 3HB LYS 56 18.988 -11.783 -0.211 438 HG2 LYS 56 2HG LYS 56 21.447 -11.908 0.239 439 HG3 LYS 56 3HG LYS 56 21.614 -12.779 -1.288 440 HD2 LYS 56 2HD LYS 56 22.051 -10.570 -1.879 441 HD3 LYS 56 3HD LYS 56 20.353 -10.777 -2.313 442 HE2 LYS 56 2HE LYS 56 20.960 -9.817 0.427 443 HE3 LYS 56 3HE LYS 56 21.232 -8.694 -0.904 444 HZ1 LYS 56 3HZ LYS 56 18.833 -9.261 0.329 445 HZ2 LYS 56 1HZ LYS 56 18.732 -9.999 -1.190 446 HZ3 LYS 56 2HZ LYS 56 19.064 -8.344 -1.074 447 H GLY 57 H GLY 57 17.804 -15.454 -0.572 448 HA2 GLY 57 2HA GLY 57 15.437 -14.258 0.488 449 HA3 GLY 57 3HA GLY 57 15.545 -15.821 -0.307 450 H LYS 58 H LYS 58 17.109 -17.313 1.248 451 HA LYS 58 HA LYS 58 15.436 -17.827 3.514 452 HB2 LYS 58 2HB LYS 58 16.357 -19.877 3.466 453 HB3 LYS 58 3HB LYS 58 17.074 -19.366 1.944 454 HG2 LYS 58 2HG LYS 58 18.413 -19.036 4.617 455 HG3 LYS 58 3HG LYS 58 18.661 -20.420 3.549 456 HD2 LYS 58 2HD LYS 58 19.002 -18.140 1.950 457 HD3 LYS 58 3HD LYS 58 19.858 -17.806 3.458 458 HE2 LYS 58 2HE LYS 58 20.241 -20.146 1.600 459 HE3 LYS 58 3HE LYS 58 21.391 -18.860 1.960 460 HZ1 LYS 58 3HZ LYS 58 20.857 -19.885 4.400 461 HZ2 LYS 58 1HZ LYS 58 22.197 -20.290 3.450 462 HZ3 LYS 58 2HZ LYS 58 20.817 -21.268 3.425 463 H GLU 59 H GLU 59 18.243 -15.961 2.971 464 HA GLU 59 HA GLU 59 19.301 -16.092 5.630 465 HB2 GLU 59 2HB GLU 59 19.876 -14.545 3.162 466 HB3 GLU 59 3HB GLU 59 20.379 -13.825 4.685 467 HG2 GLU 59 2HG GLU 59 21.107 -16.629 4.479 468 HG3 GLU 59 3HG GLU 59 21.801 -15.644 3.193 469 H VAL 60 H VAL 60 17.744 -13.431 3.830 470 HA VAL 60 HA VAL 60 17.408 -11.666 5.922 471 HB VAL 60 HB VAL 60 15.627 -10.625 4.657 472 HG11 VAL 60 1HG1 VAL 60 16.968 -11.144 2.261 473 HG12 VAL 60 2HG1 VAL 60 17.297 -9.847 3.411 474 HG13 VAL 60 3HG1 VAL 60 18.169 -11.375 3.531 475 HG21 VAL 60 3HG2 VAL 60 14.303 -12.547 4.073 476 HG22 VAL 60 1HG2 VAL 60 14.760 -11.702 2.594 477 HG23 VAL 60 2HG2 VAL 60 15.598 -13.182 3.058 478 H LEU 61 H LEU 61 15.559 -14.524 5.141 479 HA LEU 61 HA LEU 61 13.358 -13.937 6.867 480 HB2 LEU 61 2HB LEU 61 14.302 -16.532 5.661 481 HB3 LEU 61 3HB LEU 61 12.786 -16.327 6.536 482 HG LEU 61 HG LEU 61 13.400 -14.731 4.068 483 HD11 LEU 61 1HD1 LEU 61 11.663 -17.064 3.745 484 HD12 LEU 61 2HD1 LEU 61 13.361 -17.451 4.017 485 HD13 LEU 61 3HD1 LEU 61 12.899 -16.408 2.673 486 HD21 LEU 61 3HD2 LEU 61 11.080 -15.213 5.828 487 HD22 LEU 61 1HD2 LEU 61 10.750 -15.148 4.097 488 HD23 LEU 61 2HD2 LEU 61 11.525 -13.782 4.899 489 H GLU 62 H GLU 62 16.382 -15.706 7.183 490 HA GLU 62 HA GLU 62 15.746 -16.738 9.790 491 HB2 GLU 62 2HB GLU 62 18.038 -16.875 7.923 492 HB3 GLU 62 3HB GLU 62 18.428 -17.025 9.631 493 HG2 GLU 62 2HG GLU 62 16.234 -18.694 9.245 494 HG3 GLU 62 3HG GLU 62 17.262 -18.948 7.835 495 H TRP 63 H TRP 63 17.369 -13.937 8.489 496 HA TRP 63 HA TRP 63 18.592 -13.153 10.959 497 HB2 TRP 63 2HB TRP 63 19.530 -12.462 8.799 498 HB3 TRP 63 3HB TRP 63 18.062 -11.554 8.445 499 HD1 TRP 63 HD1 TRP 63 20.292 -11.546 11.631 500 HE1 TRP 63 HE1 TRP 63 20.929 -9.104 12.137 501 HE3 TRP 63 HE3 TRP 63 18.040 -9.277 7.642 502 HZ2 TRP 63 HZ2 TRP 63 20.528 -6.553 10.997 503 HZ3 TRP 63 HZ3 TRP 63 18.214 -6.832 7.423 504 HH2 TRP 63 HH2 TRP 63 19.432 -5.500 9.068 505 H ALA 64 H ALA 64 15.601 -12.398 9.272 506 HA ALA 64 HA ALA 64 14.805 -10.215 10.870 507 HB1 ALA 64 1HB ALA 64 13.501 -12.021 8.930 508 HB2 ALA 64 2HB ALA 64 12.441 -11.184 10.065 509 HB3 ALA 64 3HB ALA 64 13.513 -10.259 9.014 510 H GLU 65 H GLU 65 14.601 -13.669 11.315 511 HA GLU 65 HA GLU 65 12.694 -13.559 13.454 512 HB2 GLU 65 2HB GLU 65 14.522 -15.729 12.433 513 HB3 GLU 65 3HB GLU 65 13.466 -15.957 13.819 514 HG2 GLU 65 2HG GLU 65 11.640 -15.088 12.122 515 HG3 GLU 65 3HG GLU 65 12.796 -15.702 10.942 516 H HIS 66 H HIS 66 16.103 -13.183 13.173 517 HA HIS 66 HA HIS 66 16.841 -13.903 15.814 518 HB2 HIS 66 2HB HIS 66 18.115 -12.667 13.491 519 HB3 HIS 66 3HB HIS 66 18.699 -12.017 15.020 520 HD1 HIS 66 HD1 HIS 66 17.682 -15.603 14.814 521 HD2 HIS 66 HD2 HIS 66 21.160 -13.332 14.729 522 HE1 HIS 66 HE1 HIS 66 19.566 -17.249 15.072 523 H LEU 67 H LEU 67 16.393 -10.697 14.312 524 HA LEU 67 HA LEU 67 16.574 -9.299 16.782 525 HB2 LEU 67 2HB LEU 67 16.138 -7.360 15.563 526 HB3 LEU 67 3HB LEU 67 16.996 -8.408 14.436 527 HG LEU 67 HG LEU 67 14.440 -9.018 13.811 528 HD11 LEU 67 1HD1 LEU 67 13.712 -7.257 15.490 529 HD12 LEU 67 2HD1 LEU 67 13.032 -7.139 13.867 530 HD13 LEU 67 3HD1 LEU 67 14.343 -6.065 14.353 531 HD21 LEU 67 3HD2 LEU 67 15.706 -8.516 11.999 532 HD22 LEU 67 1HD2 LEU 67 16.453 -7.116 12.768 533 HD23 LEU 67 2HD2 LEU 67 14.820 -6.994 12.111 534 H ALA 68 H ALA 68 13.953 -10.718 14.967 535 HA ALA 68 HA ALA 68 11.804 -9.393 16.222 536 HB1 ALA 68 1HB ALA 68 11.953 -12.096 14.899 537 HB2 ALA 68 2HB ALA 68 10.454 -11.335 15.431 538 HB3 ALA 68 3HB ALA 68 11.431 -10.575 14.175 539 H GLU 69 H GLU 69 13.683 -12.232 17.095 540 HA GLU 69 HA GLU 69 11.953 -12.936 19.292 541 HB2 GLU 69 2HB GLU 69 14.608 -13.957 18.310 542 HB3 GLU 69 3HB GLU 69 13.922 -14.502 19.834 543 HG2 GLU 69 2HG GLU 69 12.120 -14.631 17.514 544 HG3 GLU 69 3HG GLU 69 13.510 -15.715 17.470 545 H TRP 70 H TRP 70 14.643 -10.864 18.781 546 HA TRP 70 HA TRP 70 15.982 -10.763 21.149 547 HB2 TRP 70 2HB TRP 70 16.275 -9.296 19.066 548 HB3 TRP 70 3HB TRP 70 15.064 -8.237 19.784 549 HD1 TRP 70 HD1 TRP 70 18.556 -9.684 20.641 550 HE1 TRP 70 HE1 TRP 70 19.782 -7.972 22.121 551 HE3 TRP 70 HE3 TRP 70 14.809 -6.248 21.183 552 HZ2 TRP 70 HZ2 TRP 70 19.233 -5.493 23.356 553 HZ3 TRP 70 HZ3 TRP 70 15.241 -4.235 22.530 554 HH2 TRP 70 HH2 TRP 70 17.407 -3.867 23.593 555 H ILE 71 H ILE 71 12.763 -9.509 20.484 556 HA ILE 71 HA ILE 71 12.301 -7.941 22.698 557 HB ILE 71 HB ILE 71 9.905 -8.630 22.517 558 HG12 ILE 71 2HG1 ILE 71 11.073 -10.539 20.492 559 HG13 ILE 71 3HG1 ILE 71 10.071 -10.924 21.886 560 HG21 ILE 71 1HG2 ILE 71 10.951 -6.833 21.141 561 HG22 ILE 71 2HG2 ILE 71 11.173 -8.017 19.855 562 HG23 ILE 71 3HG2 ILE 71 9.548 -7.592 20.390 563 HD11 ILE 71 3HD1 ILE 71 8.561 -11.117 20.185 564 HD12 ILE 71 1HD1 ILE 71 8.314 -9.435 20.653 565 HD13 ILE 71 2HD1 ILE 71 9.294 -9.823 19.238 566 H LEU 72 H LEU 72 12.009 -11.466 22.434 567 HA LEU 72 HA LEU 72 11.145 -11.820 25.132 568 HB2 LEU 72 2HB LEU 72 12.409 -13.861 23.313 569 HB3 LEU 72 3HB LEU 72 11.406 -14.173 24.729 570 HG LEU 72 HG LEU 72 9.910 -12.591 22.889 571 HD11 LEU 72 1HD1 LEU 72 10.647 -15.163 21.590 572 HD12 LEU 72 2HD1 LEU 72 11.702 -13.768 21.367 573 HD13 LEU 72 3HD1 LEU 72 10.009 -13.680 20.882 574 HD21 LEU 72 3HD2 LEU 72 9.125 -14.196 24.655 575 HD22 LEU 72 1HD2 LEU 72 9.588 -15.506 23.568 576 HD23 LEU 72 2HD2 LEU 72 8.336 -14.361 23.086 577 H GLU 73 H GLU 73 14.251 -12.094 23.459 578 HA GLU 73 HA GLU 73 15.753 -13.117 25.591 579 HB2 GLU 73 2HB GLU 73 16.323 -12.652 23.034 580 HB3 GLU 73 3HB GLU 73 17.022 -11.187 23.709 581 HG2 GLU 73 2HG GLU 73 18.652 -12.323 24.855 582 HG3 GLU 73 3HG GLU 73 17.717 -13.816 24.921 583 H HIS 74 H HIS 74 14.600 -9.912 24.919 584 HA HIS 74 HA HIS 74 16.340 -8.675 26.885 585 HB2 HIS 74 2HB HIS 74 15.680 -7.504 24.777 586 HB3 HIS 74 3HB HIS 74 14.023 -7.455 25.372 587 HD1 HIS 74 HD1 HIS 74 13.947 -4.900 25.492 588 HD2 HIS 74 HD2 HIS 74 16.985 -6.585 27.771 589 HE1 HIS 74 HE1 HIS 74 14.813 -3.036 26.942 Start of MODEL 20 1 H1 MET 1 H MET 1 1.989 0.575 -2.983 2 HA MET 1 HA MET 1 4.821 0.618 -3.092 3 HB2 MET 1 2HB MET 1 3.613 1.071 -0.508 4 HB3 MET 1 3HB MET 1 4.528 -0.430 -0.503 5 HG2 MET 1 2HG MET 1 6.451 0.659 -0.414 6 HG3 MET 1 3HG MET 1 6.019 1.651 -1.805 7 HE1 MET 1 3HE MET 1 6.215 4.021 -1.627 8 HE2 MET 1 1HE MET 1 6.428 4.904 -0.116 9 HE3 MET 1 2HE MET 1 7.562 3.628 -0.559 10 H GLY 2 H GLY 2 5.692 -1.439 -3.273 11 HA2 GLY 2 2HA GLY 2 4.396 -3.817 -2.487 12 HA3 GLY 2 3HA GLY 2 4.004 -3.482 -4.167 13 H THR 3 H THR 3 6.561 -4.265 -1.913 14 HA THR 3 HA THR 3 7.993 -5.764 -3.838 15 HB THR 3 HB THR 3 8.706 -3.607 -4.693 16 HG1 THR 3 HG1 THR 3 11.048 -3.879 -4.149 17 HG21 THR 3 3HG2 THR 3 9.842 -3.033 -1.957 18 HG22 THR 3 1HG2 THR 3 8.325 -2.359 -2.553 19 HG23 THR 3 2HG2 THR 3 9.842 -1.969 -3.363 20 H ILE 4 H ILE 4 9.976 -6.707 -2.954 21 HA ILE 4 HA ILE 4 9.678 -7.654 -0.366 22 HB ILE 4 HB ILE 4 11.346 -8.265 -2.424 23 HG12 ILE 4 2HG1 ILE 4 10.587 -9.835 -0.739 24 HG13 ILE 4 3HG1 ILE 4 12.339 -9.934 -0.871 25 HG21 ILE 4 1HG2 ILE 4 13.154 -7.232 -0.248 26 HG22 ILE 4 2HG2 ILE 4 13.621 -7.929 -1.799 27 HG23 ILE 4 3HG2 ILE 4 12.821 -6.358 -1.743 28 HD11 ILE 4 3HD1 ILE 4 11.682 -10.027 1.438 29 HD12 ILE 4 1HD1 ILE 4 12.537 -8.515 1.130 30 HD13 ILE 4 2HD1 ILE 4 10.779 -8.521 1.277 31 H ASP 5 H ASP 5 11.155 -4.727 -1.497 32 HA ASP 5 HA ASP 5 12.791 -4.140 0.713 33 HB2 ASP 5 2HB ASP 5 12.604 -2.981 -1.618 34 HB3 ASP 5 3HB ASP 5 11.378 -1.990 -0.832 35 H ASP 6 H ASP 6 9.366 -3.653 0.122 36 HA ASP 6 HA ASP 6 8.769 -1.882 2.188 37 HB2 ASP 6 2HB ASP 6 7.194 -2.579 0.385 38 HB3 ASP 6 3HB ASP 6 7.016 -4.136 1.190 39 H ALA 7 H ALA 7 9.150 -5.384 2.221 40 HA ALA 7 HA ALA 7 8.183 -5.872 4.810 41 HB1 ALA 7 1HB ALA 7 9.770 -7.901 4.647 42 HB2 ALA 7 2HB ALA 7 8.437 -7.771 3.499 43 HB3 ALA 7 3HB ALA 7 10.073 -7.333 3.005 44 H PHE 8 H PHE 8 11.520 -5.350 3.673 45 HA PHE 8 HA PHE 8 12.757 -5.506 6.180 46 HB2 PHE 8 2HB PHE 8 13.629 -3.873 3.786 47 HB3 PHE 8 3HB PHE 8 14.652 -4.372 5.130 48 HD1 PHE 8 HD1 PHE 8 13.875 -7.163 5.501 49 HD2 PHE 8 HD2 PHE 8 14.479 -4.940 1.922 50 HE1 PHE 8 HE1 PHE 8 14.429 -9.242 4.308 51 HE2 PHE 8 HE2 PHE 8 15.033 -7.016 0.722 52 HZ PHE 8 HZ PHE 8 15.008 -9.170 1.915 53 H ARG 9 H ARG 9 11.101 -2.880 4.574 54 HA ARG 9 HA ARG 9 12.008 -0.861 6.406 55 HB2 ARG 9 2HB ARG 9 9.855 -0.902 4.292 56 HB3 ARG 9 3HB ARG 9 10.180 0.505 5.295 57 HG2 ARG 9 2HG ARG 9 12.529 0.467 4.452 58 HG3 ARG 9 3HG ARG 9 12.041 -0.803 3.328 59 HD2 ARG 9 2HD ARG 9 11.948 1.272 2.157 60 HD3 ARG 9 3HD ARG 9 10.290 0.754 2.458 61 HE ARG 9 HE ARG 9 9.987 2.650 3.684 62 HH11 ARG 9 2HH1 ARG 9 13.400 1.991 3.491 63 HH12 ARG 9 1HH1 ARG 9 13.861 3.454 4.297 64 HH21 ARG 9 2HH2 ARG 9 10.581 4.579 4.746 65 HH22 ARG 9 1HH2 ARG 9 12.257 4.925 5.011 66 H ALA 10 H ALA 10 9.200 -2.943 6.089 67 HA ALA 10 HA ALA 10 7.682 -1.636 8.139 68 HB1 ALA 10 1HB ALA 10 6.048 -2.812 7.212 69 HB2 ALA 10 2HB ALA 10 7.220 -3.654 6.199 70 HB3 ALA 10 3HB ALA 10 6.792 -4.306 7.781 71 H ILE 11 H ILE 11 10.086 -4.132 8.036 72 HA ILE 11 HA ILE 11 9.598 -5.586 10.321 73 HB ILE 11 HB ILE 11 11.547 -5.746 8.595 74 HG12 ILE 11 2HG1 ILE 11 12.492 -6.373 11.347 75 HG13 ILE 11 3HG1 ILE 11 10.967 -7.086 10.834 76 HG21 ILE 11 1HG2 ILE 11 13.075 -4.371 10.773 77 HG22 ILE 11 2HG2 ILE 11 13.577 -4.741 9.125 78 HG23 ILE 11 3HG2 ILE 11 12.401 -3.461 9.422 79 HD11 ILE 11 3HD1 ILE 11 12.222 -7.912 8.790 80 HD12 ILE 11 1HD1 ILE 11 13.694 -7.467 9.653 81 HD13 ILE 11 2HD1 ILE 11 12.604 -8.677 10.332 82 H GLU 12 H GLU 12 10.713 -2.303 10.030 83 HA GLU 12 HA GLU 12 11.825 -1.935 12.571 84 HB2 GLU 12 2HB GLU 12 12.129 -0.264 10.868 85 HB3 GLU 12 3HB GLU 12 10.395 -0.002 10.746 86 HG2 GLU 12 2HG GLU 12 10.301 1.092 12.817 87 HG3 GLU 12 3HG GLU 12 11.900 0.516 13.286 88 H ARG 13 H ARG 13 8.487 -1.810 11.459 89 HA ARG 13 HA ARG 13 7.441 -0.843 13.942 90 HB2 ARG 13 2HB ARG 13 6.469 -1.109 11.359 91 HB3 ARG 13 3HB ARG 13 5.549 -2.300 12.269 92 HG2 ARG 13 2HG ARG 13 4.216 -0.682 12.969 93 HG3 ARG 13 3HG ARG 13 5.580 0.039 13.826 94 HD2 ARG 13 2HD ARG 13 6.171 1.328 11.862 95 HD3 ARG 13 3HD ARG 13 4.887 0.551 10.937 96 HE ARG 13 HE ARG 13 3.577 1.671 13.032 97 HH11 ARG 13 2HH1 ARG 13 5.803 2.884 10.646 98 HH12 ARG 13 1HH1 ARG 13 5.134 4.482 10.644 99 HH21 ARG 13 2HH2 ARG 13 2.687 3.771 13.039 100 HH22 ARG 13 1HH2 ARG 13 3.362 4.986 12.006 101 H ALA 14 H ALA 14 8.127 -3.969 12.574 102 HA ALA 14 HA ALA 14 6.510 -5.551 14.253 103 HB1 ALA 14 1HB ALA 14 9.038 -6.784 13.479 104 HB2 ALA 14 2HB ALA 14 7.381 -7.265 13.112 105 HB3 ALA 14 3HB ALA 14 8.179 -6.034 12.134 106 H ILE 15 H ILE 15 9.949 -4.658 14.512 107 HA ILE 15 HA ILE 15 10.397 -5.949 16.978 108 HB ILE 15 HB ILE 15 12.254 -5.302 15.556 109 HG12 ILE 15 2HG1 ILE 15 13.010 -3.533 17.711 110 HG13 ILE 15 3HG1 ILE 15 12.096 -4.902 18.334 111 HG21 ILE 15 1HG2 ILE 15 12.911 -2.994 15.239 112 HG22 ILE 15 2HG2 ILE 15 11.259 -3.232 14.670 113 HG23 ILE 15 3HG2 ILE 15 11.553 -2.447 16.222 114 HD11 ILE 15 3HD1 ILE 15 13.813 -6.275 18.063 115 HD12 ILE 15 1HD1 ILE 15 14.084 -5.730 16.408 116 HD13 ILE 15 2HD1 ILE 15 14.792 -4.841 17.757 117 H GLN 16 H GLN 16 9.303 -2.705 16.157 118 HA GLN 16 HA GLN 16 9.516 -1.563 18.717 119 HB2 GLN 16 2HB GLN 16 7.917 -0.938 16.266 120 HB3 GLN 16 3HB GLN 16 7.563 -0.088 17.764 121 HG2 GLN 16 2HG GLN 16 10.397 -0.196 16.950 122 HG3 GLN 16 3HG GLN 16 9.322 0.784 15.955 123 HE21 GLN 16 1HE2 GLN 16 9.420 2.829 16.508 124 HE22 GLN 16 2HE2 GLN 16 9.549 3.451 18.114 125 H ALA 17 H ALA 17 7.255 -3.790 17.372 126 HA ALA 17 HA ALA 17 4.960 -3.358 18.836 127 HB1 ALA 17 1HB ALA 17 4.290 -5.443 18.185 128 HB2 ALA 17 2HB ALA 17 5.613 -5.182 17.046 129 HB3 ALA 17 3HB ALA 17 5.870 -6.167 18.486 130 H GLU 18 H GLU 18 7.870 -5.143 19.802 131 HA GLU 18 HA GLU 18 8.574 -5.946 21.815 132 HB2 GLU 18 2HB GLU 18 7.035 -3.528 22.775 133 HB3 GLU 18 3HB GLU 18 8.167 -4.448 23.756 134 HG2 GLU 18 2HG GLU 18 8.962 -3.147 21.172 135 HG3 GLU 18 3HG GLU 18 9.027 -2.309 22.721 136 H ASN 19 H ASN 19 6.631 -7.511 21.013 137 HA ASN 19 HA ASN 19 4.978 -7.933 23.414 138 HB2 ASN 19 2HB ASN 19 3.823 -7.138 21.184 139 HB3 ASN 19 3HB ASN 19 4.007 -8.829 20.728 140 HD21 ASN 19 1HD2 ASN 19 1.650 -8.736 20.675 141 HD22 ASN 19 2HD2 ASN 19 0.776 -8.998 22.142 142 H GLU 20 H GLU 20 4.043 -10.292 23.310 143 HA GLU 20 HA GLU 20 6.123 -12.139 22.367 144 HB2 GLU 20 2HB GLU 20 5.722 -13.421 24.552 145 HB3 GLU 20 3HB GLU 20 6.704 -11.964 24.631 146 HG2 GLU 20 2HG GLU 20 4.807 -10.704 25.468 147 HG3 GLU 20 3HG GLU 20 3.783 -12.132 25.339 148 H GLY 21 H GLY 21 3.633 -11.576 21.150 149 HA2 GLY 21 2HA GLY 21 2.539 -14.255 21.098 150 HA3 GLY 21 3HA GLY 21 1.429 -13.031 21.698 151 H ARG 22 H ARG 22 1.777 -10.906 20.137 152 HA ARG 22 HA ARG 22 0.679 -11.797 17.623 153 HB2 ARG 22 2HB ARG 22 -0.226 -9.840 18.867 154 HB3 ARG 22 3HB ARG 22 1.278 -8.985 18.554 155 HG2 ARG 22 2HG ARG 22 -0.138 -10.090 16.207 156 HG3 ARG 22 3HG ARG 22 -0.890 -8.721 17.029 157 HD2 ARG 22 2HD ARG 22 1.993 -8.437 16.575 158 HD3 ARG 22 3HD ARG 22 1.029 -8.531 15.102 159 HE ARG 22 HE ARG 22 -0.163 -6.705 16.876 160 HH11 ARG 22 2HH1 ARG 22 2.648 -7.048 14.851 161 HH12 ARG 22 1HH1 ARG 22 2.821 -5.345 14.580 162 HH21 ARG 22 2HH2 ARG 22 0.055 -4.461 16.527 163 HH22 ARG 22 1HH2 ARG 22 1.346 -3.875 15.534 164 H TYR 23 H TYR 23 3.743 -10.803 18.813 165 HA TYR 23 HA TYR 23 4.958 -9.678 16.598 166 HB2 TYR 23 2HB TYR 23 7.021 -10.175 17.610 167 HB3 TYR 23 3HB TYR 23 5.899 -10.049 18.961 168 HD1 TYR 23 HD2 TYR 23 4.707 -12.425 19.505 169 HD2 TYR 23 HD1 TYR 23 8.526 -11.910 17.701 170 HE1 TYR 23 HE2 TYR 23 5.361 -14.672 20.261 171 HE2 TYR 23 HE1 TYR 23 9.190 -14.157 18.451 172 HH TYR 23 HH TYR 23 6.898 -16.311 20.051 173 H ARG 24 H ARG 24 4.176 -13.023 17.249 174 HA ARG 24 HA ARG 24 5.764 -14.114 15.139 175 HB2 ARG 24 2HB ARG 24 4.557 -16.192 15.575 176 HB3 ARG 24 3HB ARG 24 5.095 -15.457 17.080 177 HG2 ARG 24 2HG ARG 24 3.025 -15.558 17.847 178 HG3 ARG 24 3HG ARG 24 2.505 -14.469 16.558 179 HD2 ARG 24 2HD ARG 24 2.809 -17.432 16.150 180 HD3 ARG 24 3HD ARG 24 1.310 -16.707 16.728 181 HE ARG 24 HE ARG 24 1.809 -15.295 14.496 182 HH11 ARG 24 2HH1 ARG 24 1.742 -18.715 15.144 183 HH12 ARG 24 1HH1 ARG 24 1.236 -19.141 13.543 184 HH21 ARG 24 2HH2 ARG 24 1.144 -15.843 12.385 185 HH22 ARG 24 1HH2 ARG 24 0.897 -17.506 11.973 186 H GLU 25 H GLU 25 2.536 -12.829 15.404 187 HA GLU 25 HA GLU 25 1.590 -13.910 12.926 188 HB2 GLU 25 2HB GLU 25 0.484 -12.482 15.122 189 HB3 GLU 25 3HB GLU 25 0.137 -11.564 13.664 190 HG2 GLU 25 2HG GLU 25 -0.371 -14.326 13.168 191 HG3 GLU 25 3HG GLU 25 -1.191 -13.839 14.651 192 H ALA 26 H ALA 26 3.155 -10.945 13.944 193 HA ALA 26 HA ALA 26 2.688 -9.445 11.592 194 HB1 ALA 26 1HB ALA 26 3.339 -8.122 13.355 195 HB2 ALA 26 2HB ALA 26 4.601 -9.241 13.871 196 HB3 ALA 26 3HB ALA 26 4.843 -8.237 12.442 197 H LEU 27 H LEU 27 5.346 -11.562 12.595 198 HA LEU 27 HA LEU 27 7.052 -11.090 10.426 199 HB2 LEU 27 2HB LEU 27 6.692 -13.348 12.347 200 HB3 LEU 27 3HB LEU 27 7.785 -13.536 10.978 201 HG LEU 27 HG LEU 27 8.008 -11.438 13.137 202 HD11 LEU 27 1HD1 LEU 27 10.067 -13.520 12.712 203 HD12 LEU 27 2HD1 LEU 27 8.563 -14.021 13.485 204 HD13 LEU 27 3HD1 LEU 27 9.534 -12.733 14.198 205 HD21 LEU 27 3HD2 LEU 27 10.405 -11.531 11.862 206 HD22 LEU 27 1HD2 LEU 27 9.138 -10.349 11.532 207 HD23 LEU 27 2HD2 LEU 27 9.289 -11.786 10.520 208 H LYS 28 H LYS 28 4.194 -13.047 10.726 209 HA LYS 28 HA LYS 28 4.473 -14.852 8.659 210 HB2 LYS 28 2HB LYS 28 2.532 -14.548 10.316 211 HB3 LYS 28 3HB LYS 28 1.892 -13.385 9.163 212 HG2 LYS 28 2HG LYS 28 2.554 -15.721 7.719 213 HG3 LYS 28 3HG LYS 28 1.662 -16.218 9.159 214 HD2 LYS 28 2HD LYS 28 -0.032 -14.434 8.562 215 HD3 LYS 28 3HD LYS 28 0.798 -14.292 7.011 216 HE2 LYS 28 2HE LYS 28 0.399 -16.689 6.608 217 HE3 LYS 28 3HE LYS 28 -0.478 -16.785 8.134 218 HZ1 LYS 28 3HZ LYS 28 -1.696 -14.734 6.863 219 HZ2 LYS 28 1HZ LYS 28 -2.260 -16.329 6.899 220 HZ3 LYS 28 2HZ LYS 28 -1.347 -15.784 5.583 221 H HIS 29 H HIS 29 3.719 -11.427 8.512 222 HA HIS 29 HA HIS 29 3.029 -11.404 5.743 223 HB2 HIS 29 2HB HIS 29 3.715 -9.267 7.746 224 HB3 HIS 29 3HB HIS 29 3.487 -8.877 6.044 225 HD1 HIS 29 HD1 HIS 29 1.270 -7.776 5.934 226 HD2 HIS 29 HD2 HIS 29 1.198 -11.178 8.317 227 HE1 HIS 29 HE1 HIS 29 -1.138 -8.088 6.588 228 H PHE 30 H PHE 30 5.995 -11.000 7.565 229 HA PHE 30 HA PHE 30 7.531 -10.067 5.329 230 HB2 PHE 30 2HB PHE 30 8.381 -11.144 8.024 231 HB3 PHE 30 3HB PHE 30 9.479 -10.442 6.840 232 HD1 PHE 30 HD2 PHE 30 7.990 -8.135 5.873 233 HD2 PHE 30 HD1 PHE 30 8.348 -9.694 9.817 234 HE1 PHE 30 HE2 PHE 30 7.549 -5.896 6.794 235 HE2 PHE 30 HE1 PHE 30 7.906 -7.458 10.745 236 HZ PHE 30 HZ PHE 30 7.507 -5.555 9.233 237 H LEU 31 H LEU 31 6.987 -13.165 6.917 238 HA LEU 31 HA LEU 31 8.955 -14.699 5.718 239 HB2 LEU 31 2HB LEU 31 6.393 -15.176 7.022 240 HB3 LEU 31 3HB LEU 31 6.788 -16.395 5.812 241 HG LEU 31 HG LEU 31 8.812 -16.970 6.971 242 HD11 LEU 31 1HD1 LEU 31 8.126 -14.778 8.923 243 HD12 LEU 31 2HD1 LEU 31 9.420 -14.719 7.727 244 HD13 LEU 31 3HD1 LEU 31 9.487 -15.895 9.039 245 HD21 LEU 31 3HD2 LEU 31 6.505 -17.795 7.756 246 HD22 LEU 31 1HD2 LEU 31 6.758 -16.731 9.140 247 HD23 LEU 31 2HD2 LEU 31 7.891 -18.045 8.820 248 H ASP 32 H ASP 32 5.778 -13.776 4.481 249 HA ASP 32 HA ASP 32 5.956 -15.346 2.108 250 HB2 ASP 32 2HB ASP 32 4.214 -12.969 2.792 251 HB3 ASP 32 3HB ASP 32 4.027 -13.960 1.348 252 H GLY 33 H GLY 33 7.203 -12.283 3.064 253 HA2 GLY 33 2HA GLY 33 7.459 -11.113 0.482 254 HA3 GLY 33 3HA GLY 33 8.332 -10.631 1.929 255 H GLY 34 H GLY 34 9.708 -12.961 2.523 256 HA2 GLY 34 2HA GLY 34 11.864 -12.778 0.654 257 HA3 GLY 34 3HA GLY 34 11.785 -13.842 2.050 258 H GLU 35 H GLU 35 9.828 -15.539 1.642 259 HA GLU 35 HA GLU 35 10.791 -17.399 -0.155 260 HB2 GLU 35 2HB GLU 35 7.928 -17.113 0.775 261 HB3 GLU 35 3HB GLU 35 8.657 -18.569 0.110 262 HG2 GLU 35 2HG GLU 35 9.879 -17.315 2.516 263 HG3 GLU 35 3HG GLU 35 8.394 -18.248 2.692 264 H MET 36 H MET 36 8.761 -14.663 -0.736 265 HA MET 36 HA MET 36 7.487 -15.426 -3.100 266 HB2 MET 36 2HB MET 36 8.039 -12.941 -1.685 267 HB3 MET 36 3HB MET 36 8.038 -12.725 -3.430 268 HG2 MET 36 2HG MET 36 5.805 -14.307 -2.372 269 HG3 MET 36 3HG MET 36 5.840 -12.621 -1.864 270 HE1 MET 36 3HE MET 36 4.332 -14.352 -5.631 271 HE2 MET 36 1HE MET 36 6.043 -14.753 -5.491 272 HE3 MET 36 2HE MET 36 4.935 -15.145 -4.176 273 H ILE 37 H ILE 37 10.771 -14.451 -2.490 274 HA ILE 37 HA ILE 37 11.415 -13.977 -5.255 275 HB ILE 37 HB ILE 37 12.590 -12.945 -3.225 276 HG12 ILE 37 2HG1 ILE 37 14.334 -14.228 -5.337 277 HG13 ILE 37 3HG1 ILE 37 13.357 -12.788 -5.598 278 HG21 ILE 37 1HG2 ILE 37 14.025 -14.142 -1.947 279 HG22 ILE 37 2HG2 ILE 37 12.955 -15.466 -2.407 280 HG23 ILE 37 3HG2 ILE 37 14.475 -15.221 -3.268 281 HD11 ILE 37 3HD1 ILE 37 14.730 -11.987 -3.457 282 HD12 ILE 37 1HD1 ILE 37 15.895 -13.123 -4.136 283 HD13 ILE 37 2HD1 ILE 37 15.308 -11.773 -5.109 284 H VAL 38 H VAL 38 11.378 -16.690 -3.107 285 HA VAL 38 HA VAL 38 13.236 -18.364 -4.382 286 HB VAL 38 HB VAL 38 10.736 -19.119 -2.863 287 HG11 VAL 38 1HG1 VAL 38 11.162 -21.165 -3.671 288 HG12 VAL 38 2HG1 VAL 38 12.780 -20.718 -4.216 289 HG13 VAL 38 3HG1 VAL 38 12.508 -21.168 -2.532 290 HG21 VAL 38 3HG2 VAL 38 12.222 -17.815 -1.493 291 HG22 VAL 38 1HG2 VAL 38 12.333 -19.505 -1.000 292 HG23 VAL 38 2HG2 VAL 38 13.605 -18.790 -1.991 293 H THR 39 H THR 39 9.757 -17.922 -4.898 294 HA THR 39 HA THR 39 9.256 -19.934 -6.712 295 HB THR 39 HB THR 39 7.567 -18.323 -5.754 296 HG1 THR 39 HG1 THR 39 6.235 -18.541 -7.573 297 HG21 THR 39 3HG2 THR 39 7.348 -16.183 -6.485 298 HG22 THR 39 1HG2 THR 39 7.914 -16.565 -8.110 299 HG23 THR 39 2HG2 THR 39 9.074 -16.362 -6.797 300 H ALA 40 H ALA 40 10.970 -16.936 -7.191 301 HA ALA 40 HA ALA 40 10.925 -16.994 -10.046 302 HB1 ALA 40 1HB ALA 40 11.609 -14.911 -9.719 303 HB2 ALA 40 2HB ALA 40 11.883 -15.240 -8.007 304 HB3 ALA 40 3HB ALA 40 13.170 -15.528 -9.178 305 H ALA 41 H ALA 41 13.254 -18.010 -7.578 306 HA ALA 41 HA ALA 41 15.220 -18.862 -9.475 307 HB1 ALA 41 1HB ALA 41 16.355 -18.503 -7.574 308 HB2 ALA 41 2HB ALA 41 14.946 -18.804 -6.557 309 HB3 ALA 41 3HB ALA 41 15.889 -20.158 -7.180 310 H GLU 42 H GLU 42 12.490 -20.333 -7.892 311 HA GLU 42 HA GLU 42 13.269 -23.035 -8.501 312 HB2 GLU 42 2HB GLU 42 10.692 -21.823 -7.501 313 HB3 GLU 42 3HB GLU 42 10.894 -23.545 -7.791 314 HG2 GLU 42 2HG GLU 42 13.016 -22.468 -6.142 315 HG3 GLU 42 3HG GLU 42 11.422 -22.191 -5.444 316 H LYS 43 H LYS 43 11.570 -20.494 -10.098 317 HA LYS 43 HA LYS 43 10.389 -22.307 -12.056 318 HB2 LYS 43 2HB LYS 43 10.050 -19.433 -11.352 319 HB3 LYS 43 3HB LYS 43 9.707 -19.912 -13.009 320 HG2 LYS 43 2HG LYS 43 7.822 -20.998 -12.445 321 HG3 LYS 43 3HG LYS 43 8.498 -21.607 -10.932 322 HD2 LYS 43 2HD LYS 43 7.727 -19.857 -9.738 323 HD3 LYS 43 3HD LYS 43 8.073 -18.699 -11.024 324 HE2 LYS 43 2HE LYS 43 6.074 -19.755 -12.238 325 HE3 LYS 43 3HE LYS 43 5.668 -20.462 -10.675 326 HZ1 LYS 43 3HZ LYS 43 5.072 -18.470 -9.825 327 HZ2 LYS 43 1HZ LYS 43 4.771 -18.107 -11.450 328 HZ3 LYS 43 2HZ LYS 43 6.211 -17.599 -10.722 329 H GLU 44 H GLU 44 13.095 -20.201 -11.656 330 HA GLU 44 HA GLU 44 13.696 -20.290 -14.525 331 HB2 GLU 44 2HB GLU 44 15.149 -18.478 -14.207 332 HB3 GLU 44 3HB GLU 44 13.786 -18.123 -13.155 333 HG2 GLU 44 2HG GLU 44 15.291 -19.386 -11.386 334 HG3 GLU 44 3HG GLU 44 16.575 -18.855 -12.471 335 H ALA 45 H ALA 45 16.341 -20.222 -14.686 336 HA ALA 45 HA ALA 45 17.776 -21.955 -12.988 337 HB1 ALA 45 1HB ALA 45 16.286 -23.210 -15.215 338 HB2 ALA 45 2HB ALA 45 17.945 -23.749 -14.957 339 HB3 ALA 45 3HB ALA 45 16.766 -23.872 -13.652 340 H SER 46 H SER 46 19.941 -22.344 -13.721 341 HA SER 46 HA SER 46 21.892 -21.767 -14.739 342 HB2 SER 46 2HB SER 46 20.609 -22.693 -16.748 343 HB3 SER 46 3HB SER 46 20.279 -21.015 -17.178 344 HG SER 46 HG SER 46 22.125 -21.395 -18.217 345 H GLN 47 H GLN 47 20.441 -19.815 -13.214 346 HA GLN 47 HA GLN 47 21.195 -17.325 -14.589 347 HB2 GLN 47 2HB GLN 47 18.778 -17.854 -13.615 348 HB3 GLN 47 3HB GLN 47 19.520 -17.288 -12.125 349 HG2 GLN 47 2HG GLN 47 18.446 -15.434 -13.127 350 HG3 GLN 47 3HG GLN 47 20.182 -15.210 -13.342 351 HE21 GLN 47 1HE2 GLN 47 17.157 -15.521 -14.870 352 HE22 GLN 47 2HE2 GLN 47 17.709 -15.435 -16.504 353 H LYS 48 H LYS 48 22.448 -15.791 -13.529 354 HA LYS 48 HA LYS 48 24.276 -16.856 -11.580 355 HB2 LYS 48 2HB LYS 48 24.095 -14.032 -12.641 356 HB3 LYS 48 3HB LYS 48 25.472 -14.767 -11.830 357 HG2 LYS 48 2HG LYS 48 25.237 -16.483 -13.849 358 HG3 LYS 48 3HG LYS 48 24.529 -15.061 -14.618 359 HD2 LYS 48 2HD LYS 48 26.613 -14.405 -15.067 360 HD3 LYS 48 3HD LYS 48 26.794 -14.091 -13.339 361 HE2 LYS 48 2HE LYS 48 27.320 -16.677 -13.283 362 HE3 LYS 48 3HE LYS 48 27.744 -16.394 -14.971 363 HZ1 LYS 48 3HZ LYS 48 28.999 -14.369 -13.750 364 HZ2 LYS 48 1HZ LYS 48 29.724 -15.855 -14.109 365 HZ3 LYS 48 2HZ LYS 48 29.110 -15.566 -12.560 366 H VAL 49 H VAL 49 21.586 -14.609 -11.601 367 HA VAL 49 HA VAL 49 22.052 -13.654 -8.931 368 HB VAL 49 HB VAL 49 19.845 -12.585 -9.141 369 HG11 VAL 49 1HG1 VAL 49 20.620 -10.914 -10.464 370 HG12 VAL 49 2HG1 VAL 49 22.114 -11.845 -10.340 371 HG13 VAL 49 3HG1 VAL 49 21.086 -12.009 -11.765 372 HG21 VAL 49 3HG2 VAL 49 18.652 -12.746 -11.320 373 HG22 VAL 49 1HG2 VAL 49 19.739 -14.061 -11.767 374 HG23 VAL 49 2HG2 VAL 49 18.647 -14.248 -10.395 375 H ARG 50 H ARG 50 20.027 -16.101 -10.449 376 HA ARG 50 HA ARG 50 18.219 -16.737 -8.527 377 HB2 ARG 50 2HB ARG 50 18.353 -17.925 -10.650 378 HB3 ARG 50 3HB ARG 50 19.865 -18.677 -10.160 379 HG2 ARG 50 2HG ARG 50 18.137 -19.359 -8.128 380 HG3 ARG 50 3HG ARG 50 17.127 -19.439 -9.573 381 HD2 ARG 50 2HD ARG 50 17.984 -21.536 -9.662 382 HD3 ARG 50 3HD ARG 50 19.284 -20.697 -10.508 383 HE ARG 50 HE ARG 50 20.091 -20.577 -7.947 384 HH11 ARG 50 2HH1 ARG 50 18.955 -23.204 -9.929 385 HH12 ARG 50 1HH1 ARG 50 19.896 -24.404 -9.107 386 HH21 ARG 50 2HH2 ARG 50 21.335 -22.147 -6.857 387 HH22 ARG 50 1HH2 ARG 50 21.249 -23.802 -7.359 388 H ASN 51 H ASN 51 21.621 -17.738 -8.590 389 HA ASN 51 HA ASN 51 21.653 -19.410 -6.384 390 HB2 ASN 51 2HB ASN 51 23.607 -19.280 -7.738 391 HB3 ASN 51 3HB ASN 51 23.758 -17.544 -7.478 392 HD21 ASN 51 1HD2 ASN 51 24.710 -20.598 -6.465 393 HD22 ASN 51 2HD2 ASN 51 25.520 -20.143 -5.009 394 H LEU 52 H LEU 52 22.149 -15.890 -6.479 395 HA LEU 52 HA LEU 52 22.395 -15.654 -3.642 396 HB2 LEU 52 2HB LEU 52 23.334 -14.086 -5.401 397 HB3 LEU 52 3HB LEU 52 21.698 -13.450 -5.565 398 HG LEU 52 HG LEU 52 21.819 -12.921 -3.079 399 HD11 LEU 52 1HD1 LEU 52 23.631 -14.203 -2.324 400 HD12 LEU 52 2HD1 LEU 52 24.220 -12.541 -2.326 401 HD13 LEU 52 3HD1 LEU 52 24.682 -13.641 -3.624 402 HD21 LEU 52 3HD2 LEU 52 23.911 -11.317 -4.408 403 HD22 LEU 52 1HD2 LEU 52 22.426 -10.809 -3.602 404 HD23 LEU 52 2HD2 LEU 52 22.365 -11.437 -5.250 405 H LEU 53 H LEU 53 19.766 -15.528 -5.924 406 HA LEU 53 HA LEU 53 17.847 -14.198 -4.381 407 HB2 LEU 53 2HB LEU 53 17.812 -16.064 -6.676 408 HB3 LEU 53 3HB LEU 53 16.310 -15.895 -5.770 409 HG LEU 53 HG LEU 53 15.989 -13.719 -6.443 410 HD11 LEU 53 1HD1 LEU 53 17.873 -12.568 -5.779 411 HD12 LEU 53 2HD1 LEU 53 17.968 -12.437 -7.534 412 HD13 LEU 53 3HD1 LEU 53 18.965 -13.617 -6.683 413 HD21 LEU 53 3HD2 LEU 53 17.601 -14.793 -8.751 414 HD22 LEU 53 1HD2 LEU 53 16.276 -13.631 -8.814 415 HD23 LEU 53 2HD2 LEU 53 15.957 -15.307 -8.370 416 H LEU 54 H LEU 54 18.685 -17.636 -4.564 417 HA LEU 54 HA LEU 54 16.691 -18.417 -2.656 418 HB2 LEU 54 2HB LEU 54 19.076 -19.874 -3.780 419 HB3 LEU 54 3HB LEU 54 17.882 -20.604 -2.710 420 HG LEU 54 HG LEU 54 17.097 -19.396 -5.345 421 HD11 LEU 54 1HD1 LEU 54 18.037 -22.212 -4.827 422 HD12 LEU 54 2HD1 LEU 54 18.814 -21.014 -5.860 423 HD13 LEU 54 3HD1 LEU 54 17.234 -21.663 -6.298 424 HD21 LEU 54 3HD2 LEU 54 15.863 -21.223 -3.328 425 HD22 LEU 54 1HD2 LEU 54 15.358 -21.299 -5.016 426 HD23 LEU 54 2HD2 LEU 54 15.186 -19.795 -4.111 427 H HIS 55 H HIS 55 20.195 -17.906 -2.582 428 HA HIS 55 HA HIS 55 20.656 -18.737 0.050 429 HB2 HIS 55 2HB HIS 55 22.518 -18.390 -1.423 430 HB3 HIS 55 3HB HIS 55 22.086 -16.700 -1.663 431 HD1 HIS 55 HD1 HIS 55 23.454 -19.015 0.992 432 HD2 HIS 55 HD2 HIS 55 23.165 -14.956 0.158 433 HE1 HIS 55 HE1 HIS 55 24.874 -17.871 2.723 434 H LYS 56 H LYS 56 19.968 -15.489 -1.227 435 HA LYS 56 HA LYS 56 19.963 -14.232 1.323 436 HB2 LYS 56 2HB LYS 56 18.919 -13.406 -1.382 437 HB3 LYS 56 3HB LYS 56 18.753 -12.383 0.038 438 HG2 LYS 56 2HG LYS 56 21.410 -13.421 -0.902 439 HG3 LYS 56 3HG LYS 56 20.714 -11.906 -1.482 440 HD2 LYS 56 2HD LYS 56 20.495 -11.842 1.317 441 HD3 LYS 56 3HD LYS 56 22.116 -12.447 0.968 442 HE2 LYS 56 2HE LYS 56 22.566 -10.530 -0.437 443 HE3 LYS 56 3HE LYS 56 20.915 -9.950 -0.225 444 HZ1 LYS 56 3HZ LYS 56 22.470 -8.776 1.209 445 HZ2 LYS 56 1HZ LYS 56 22.931 -10.232 1.939 446 HZ3 LYS 56 2HZ LYS 56 21.353 -9.653 2.127 447 H GLY 57 H GLY 57 17.478 -15.690 -0.699 448 HA2 GLY 57 2HA GLY 57 15.177 -14.754 0.517 449 HA3 GLY 57 3HA GLY 57 15.335 -16.351 -0.200 450 H LYS 58 H LYS 58 17.066 -17.629 1.437 451 HA LYS 58 HA LYS 58 15.424 -18.151 3.729 452 HB2 LYS 58 2HB LYS 58 16.340 -20.149 3.265 453 HB3 LYS 58 3HB LYS 58 17.662 -19.424 2.359 454 HG2 LYS 58 2HG LYS 58 17.670 -19.328 5.344 455 HG3 LYS 58 3HG LYS 58 18.163 -20.797 4.498 456 HD2 LYS 58 2HD LYS 58 19.400 -18.478 3.316 457 HD3 LYS 58 3HD LYS 58 19.730 -18.544 5.049 458 HE2 LYS 58 2HE LYS 58 21.469 -19.763 4.042 459 HE3 LYS 58 3HE LYS 58 20.362 -20.978 4.679 460 HZ1 LYS 58 3HZ LYS 58 20.385 -21.837 2.644 461 HZ2 LYS 58 1HZ LYS 58 21.149 -20.482 1.978 462 HZ3 LYS 58 2HZ LYS 58 19.466 -20.507 2.144 463 H GLU 59 H GLU 59 18.367 -16.393 3.096 464 HA GLU 59 HA GLU 59 19.310 -16.210 5.752 465 HB2 GLU 59 2HB GLU 59 20.719 -15.701 3.810 466 HB3 GLU 59 3HB GLU 59 19.712 -14.310 3.434 467 HG2 GLU 59 2HG GLU 59 20.348 -13.620 5.897 468 HG3 GLU 59 3HG GLU 59 21.727 -14.672 5.582 469 H VAL 60 H VAL 60 17.646 -13.734 3.790 470 HA VAL 60 HA VAL 60 17.221 -11.862 5.768 471 HB VAL 60 HB VAL 60 15.371 -11.004 4.443 472 HG11 VAL 60 1HG1 VAL 60 16.567 -11.051 2.148 473 HG12 VAL 60 2HG1 VAL 60 17.395 -10.331 3.530 474 HG13 VAL 60 3HG1 VAL 60 17.813 -11.961 3.001 475 HG21 VAL 60 3HG2 VAL 60 14.730 -12.295 2.352 476 HG22 VAL 60 1HG2 VAL 60 15.509 -13.690 3.099 477 HG23 VAL 60 2HG2 VAL 60 14.126 -12.929 3.883 478 H LEU 61 H LEU 61 15.512 -14.847 5.171 479 HA LEU 61 HA LEU 61 13.242 -14.289 6.782 480 HB2 LEU 61 2HB LEU 61 14.383 -16.600 5.389 481 HB3 LEU 61 3HB LEU 61 13.484 -17.009 6.848 482 HG LEU 61 HG LEU 61 12.165 -17.116 4.727 483 HD11 LEU 61 1HD1 LEU 61 11.082 -15.026 6.591 484 HD12 LEU 61 2HD1 LEU 61 11.229 -16.721 7.056 485 HD13 LEU 61 3HD1 LEU 61 10.203 -16.265 5.696 486 HD21 LEU 61 3HD2 LEU 61 11.800 -14.205 4.681 487 HD22 LEU 61 1HD2 LEU 61 11.892 -15.362 3.353 488 HD23 LEU 61 2HD2 LEU 61 13.371 -14.765 4.105 489 H GLU 62 H GLU 62 16.173 -16.224 7.397 490 HA GLU 62 HA GLU 62 15.553 -16.730 10.116 491 HB2 GLU 62 2HB GLU 62 18.177 -16.839 8.623 492 HB3 GLU 62 3HB GLU 62 17.962 -17.396 10.276 493 HG2 GLU 62 2HG GLU 62 16.044 -18.524 8.382 494 HG3 GLU 62 3HG GLU 62 17.724 -18.940 8.048 495 H TRP 63 H TRP 63 17.107 -14.103 8.461 496 HA TRP 63 HA TRP 63 18.358 -12.984 10.783 497 HB2 TRP 63 2HB TRP 63 18.239 -12.407 7.948 498 HB3 TRP 63 3HB TRP 63 18.036 -10.938 8.897 499 HD1 TRP 63 HD1 TRP 63 20.245 -9.769 9.396 500 HE1 TRP 63 HE1 TRP 63 22.700 -10.488 9.681 501 HE3 TRP 63 HE3 TRP 63 19.688 -14.817 8.807 502 HZ2 TRP 63 HZ2 TRP 63 24.202 -12.878 9.658 503 HZ3 TRP 63 HZ3 TRP 63 21.683 -16.249 8.952 504 HH2 TRP 63 HH2 TRP 63 23.893 -15.297 9.369 505 H ALA 64 H ALA 64 15.496 -12.110 8.852 506 HA ALA 64 HA ALA 64 14.652 -9.928 10.350 507 HB1 ALA 64 1HB ALA 64 12.341 -10.561 9.480 508 HB2 ALA 64 2HB ALA 64 13.600 -10.263 8.282 509 HB3 ALA 64 3HB ALA 64 13.141 -11.917 8.685 510 H GLU 65 H GLU 65 14.335 -13.346 10.978 511 HA GLU 65 HA GLU 65 12.364 -13.065 13.041 512 HB2 GLU 65 2HB GLU 65 14.160 -15.336 12.199 513 HB3 GLU 65 3HB GLU 65 13.061 -15.459 13.566 514 HG2 GLU 65 2HG GLU 65 11.460 -14.505 11.532 515 HG3 GLU 65 3HG GLU 65 12.527 -15.653 10.725 516 H HIS 66 H HIS 66 15.789 -12.796 12.857 517 HA HIS 66 HA HIS 66 16.422 -13.387 15.556 518 HB2 HIS 66 2HB HIS 66 17.832 -12.636 13.221 519 HB3 HIS 66 3HB HIS 66 18.234 -11.449 14.459 520 HD1 HIS 66 HD1 HIS 66 18.732 -12.861 16.921 521 HD2 HIS 66 HD2 HIS 66 19.622 -14.643 13.275 522 HE1 HIS 66 HE1 HIS 66 20.422 -14.649 17.442 523 H LEU 67 H LEU 67 16.023 -10.276 13.861 524 HA LEU 67 HA LEU 67 16.215 -8.722 16.235 525 HB2 LEU 67 2HB LEU 67 15.759 -6.862 14.893 526 HB3 LEU 67 3HB LEU 67 16.648 -7.972 13.852 527 HG LEU 67 HG LEU 67 14.129 -8.662 13.210 528 HD11 LEU 67 1HD1 LEU 67 13.866 -5.700 13.475 529 HD12 LEU 67 2HD1 LEU 67 13.422 -6.749 14.821 530 HD13 LEU 67 3HD1 LEU 67 12.615 -6.925 13.263 531 HD21 LEU 67 3HD2 LEU 67 15.499 -8.201 11.437 532 HD22 LEU 67 1HD2 LEU 67 16.046 -6.667 12.115 533 HD23 LEU 67 2HD2 LEU 67 14.444 -6.787 11.387 534 H ALA 68 H ALA 68 13.569 -10.192 14.479 535 HA ALA 68 HA ALA 68 11.441 -8.796 15.682 536 HB1 ALA 68 1HB ALA 68 11.002 -10.039 13.709 537 HB2 ALA 68 2HB ALA 68 11.586 -11.534 14.441 538 HB3 ALA 68 3HB ALA 68 10.084 -10.803 15.007 539 H GLU 69 H GLU 69 13.298 -11.603 16.686 540 HA GLU 69 HA GLU 69 11.561 -12.198 18.910 541 HB2 GLU 69 2HB GLU 69 14.222 -13.270 17.995 542 HB3 GLU 69 3HB GLU 69 13.510 -13.752 19.529 543 HG2 GLU 69 2HG GLU 69 11.669 -13.968 17.280 544 HG3 GLU 69 3HG GLU 69 13.105 -14.978 17.119 545 H TRP 70 H TRP 70 14.267 -10.168 18.311 546 HA TRP 70 HA TRP 70 15.594 -9.963 20.679 547 HB2 TRP 70 2HB TRP 70 15.568 -8.497 18.397 548 HB3 TRP 70 3HB TRP 70 14.835 -7.353 19.518 549 HD1 TRP 70 HD1 TRP 70 16.364 -6.550 21.613 550 HE1 TRP 70 HE1 TRP 70 18.922 -6.421 21.871 551 HE3 TRP 70 HE3 TRP 70 17.724 -9.607 17.748 552 HZ2 TRP 70 HZ2 TRP 70 21.213 -7.476 20.603 553 HZ3 TRP 70 HZ3 TRP 70 20.119 -9.995 17.337 554 HH2 TRP 70 HH2 TRP 70 21.825 -8.950 18.736 555 H ILE 71 H ILE 71 12.389 -8.724 19.936 556 HA ILE 71 HA ILE 71 11.925 -7.042 22.063 557 HB ILE 71 HB ILE 71 9.527 -7.719 21.905 558 HG12 ILE 71 2HG1 ILE 71 10.689 -9.752 20.001 559 HG13 ILE 71 3HG1 ILE 71 9.673 -10.047 21.408 560 HG21 ILE 71 1HG2 ILE 71 10.883 -6.142 20.299 561 HG22 ILE 71 2HG2 ILE 71 10.506 -7.390 19.113 562 HG23 ILE 71 3HG2 ILE 71 9.203 -6.555 19.958 563 HD11 ILE 71 3HD1 ILE 71 8.163 -10.319 19.724 564 HD12 ILE 71 1HD1 ILE 71 7.948 -8.602 20.065 565 HD13 ILE 71 2HD1 ILE 71 8.928 -9.113 18.690 566 H LEU 72 H LEU 72 11.618 -10.574 21.980 567 HA LEU 72 HA LEU 72 10.740 -10.782 24.689 568 HB2 LEU 72 2HB LEU 72 11.997 -12.924 22.987 569 HB3 LEU 72 3HB LEU 72 10.983 -13.153 24.410 570 HG LEU 72 HG LEU 72 9.504 -11.660 22.489 571 HD11 LEU 72 1HD1 LEU 72 9.717 -12.718 20.512 572 HD12 LEU 72 2HD1 LEU 72 10.098 -14.270 21.258 573 HD13 LEU 72 3HD1 LEU 72 11.349 -13.038 21.098 574 HD21 LEU 72 3HD2 LEU 72 9.172 -14.544 23.288 575 HD22 LEU 72 1HD2 LEU 72 7.926 -13.415 22.754 576 HD23 LEU 72 2HD2 LEU 72 8.709 -13.189 24.319 577 H GLU 73 H GLU 73 13.849 -11.160 23.044 578 HA GLU 73 HA GLU 73 15.390 -12.150 25.109 579 HB2 GLU 73 2HB GLU 73 15.950 -11.454 22.606 580 HB3 GLU 73 3HB GLU 73 16.561 -10.009 23.399 581 HG2 GLU 73 2HG GLU 73 17.496 -12.345 24.770 582 HG3 GLU 73 3HG GLU 73 17.864 -12.460 23.051 583 H HIS 74 H HIS 74 14.180 -8.911 24.614 584 HA HIS 74 HA HIS 74 14.190 -7.043 25.913 585 HB2 HIS 74 2HB HIS 74 13.462 -8.941 27.573 586 HB3 HIS 74 3HB HIS 74 15.048 -8.660 28.285 587 HD1 HIS 74 HD1 HIS 74 14.927 -5.495 27.776 588 HD2 HIS 74 HD2 HIS 74 12.082 -7.823 29.710 589 HE1 HIS 74 HE1 HIS 74 13.670 -3.913 29.274
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