NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2677 | 1cfa | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HN2 MET 1 8.983 -15.855 -1.513 2 2H MET 1 HN1 MET 1 8.865 -17.123 -2.638 3 3H MET 1 HN3 MET 1 7.461 -16.347 -2.084 4 HA MET 1 HA MET 1 7.343 -17.562 -0.231 5 1HB MET 1 HB2 MET 1 9.483 -19.185 -1.641 6 2HB MET 1 HB1 MET 1 8.320 -19.784 -0.457 7 1HG MET 1 HG2 MET 1 6.820 -20.132 -2.095 8 2HG MET 1 HG1 MET 1 6.873 -18.420 -2.514 9 1HE MET 1 HE2 MET 1 6.985 -21.689 -3.823 10 2HE MET 1 HE1 MET 1 6.194 -20.396 -4.721 11 3HE MET 1 HE3 MET 1 7.503 -21.323 -5.467 12 H LEU 2 HN LEU 2 10.627 -16.639 -1.058 13 HA LEU 2 HA LEU 2 11.485 -17.118 1.752 14 1HB LEU 2 HB2 LEU 2 12.919 -16.709 -0.852 15 2HB LEU 2 HB1 LEU 2 13.748 -16.308 0.652 16 HG LEU 2 HG LEU 2 12.395 -18.973 0.157 17 1HD1 LEU 2 HD12 LEU 2 14.689 -18.039 -1.112 18 2HD1 LEU 2 HD11 LEU 2 15.317 -18.953 0.260 19 3HD1 LEU 2 HD13 LEU 2 14.243 -19.732 -0.901 20 1HD2 LEU 2 HD22 LEU 2 13.906 -17.694 2.372 21 2HD2 LEU 2 HD21 LEU 2 12.655 -18.934 2.434 22 3HD2 LEU 2 HD23 LEU 2 14.315 -19.375 2.031 23 H GLN 3 HN GLN 3 10.195 -14.666 -0.144 24 HA GLN 3 HA GLN 3 10.890 -12.663 1.891 25 1HB GLN 3 HB2 GLN 3 11.816 -11.052 0.301 26 2HB GLN 3 HB1 GLN 3 12.772 -12.533 0.259 27 1HG GLN 3 HG2 GLN 3 11.586 -13.288 -1.739 28 2HG GLN 3 HG1 GLN 3 10.535 -11.872 -1.677 29 1HE2 GLN 3 HE22 GLN 3 13.240 -9.619 -2.646 30 2HE2 GLN 3 HE21 GLN 3 11.949 -9.689 -1.546 31 H LYS 4 HN LYS 4 10.036 -10.418 0.328 32 HA LYS 4 HA LYS 4 7.138 -11.064 0.157 33 1HB LYS 4 HB2 LYS 4 6.886 -8.552 0.171 34 2HB LYS 4 HB1 LYS 4 7.645 -9.209 1.621 35 1HG LYS 4 HG2 LYS 4 9.690 -8.713 -0.326 36 2HG LYS 4 HG1 LYS 4 8.699 -7.263 -0.172 37 1HD LYS 4 HD2 LYS 4 9.871 -8.776 2.178 38 2HD LYS 4 HD1 LYS 4 10.600 -7.338 1.462 39 1HE LYS 4 HE2 LYS 4 7.770 -6.936 2.024 40 2HE LYS 4 HE1 LYS 4 8.665 -7.377 3.478 41 1HZ LYS 4 HZ1 LYS 4 9.750 -5.351 1.639 42 2HZ LYS 4 HZ3 LYS 4 8.552 -4.916 2.757 43 3HZ LYS 4 HZ2 LYS 4 10.030 -5.551 3.303 44 H LYS 5 HN LYS 5 6.103 -9.313 -1.550 45 HA LYS 5 HA LYS 5 7.663 -9.572 -4.085 46 1HB LYS 5 HB2 LYS 5 4.741 -10.230 -3.619 47 2HB LYS 5 HB1 LYS 5 5.450 -10.036 -5.223 48 1HG LYS 5 HG2 LYS 5 7.218 -11.766 -4.376 49 2HG LYS 5 HG1 LYS 5 5.998 -12.159 -3.163 50 1HD LYS 5 HD2 LYS 5 4.357 -12.340 -5.153 51 2HD LYS 5 HD1 LYS 5 5.802 -12.403 -6.164 52 1HE LYS 5 HE2 LYS 5 5.422 -14.233 -3.788 53 2HE LYS 5 HE1 LYS 5 4.859 -14.660 -5.404 54 1HZ LYS 5 HZ3 LYS 5 7.350 -13.862 -5.920 55 2HZ LYS 5 HZ2 LYS 5 7.559 -14.506 -4.361 56 3HZ LYS 5 HZ1 LYS 5 6.926 -15.474 -5.605 57 H ILE 6 HN ILE 6 4.377 -8.375 -3.984 58 HA ILE 6 HA ILE 6 5.082 -5.882 -5.169 59 HB ILE 6 HB ILE 6 2.627 -7.055 -3.948 60 1HG1 ILE 6 HG12 ILE 6 3.341 -7.157 -6.401 61 2HG1 ILE 6 HG11 ILE 6 1.705 -6.573 -6.103 62 1HG2 ILE 6 HG22 ILE 6 2.983 -4.078 -4.417 63 2HG2 ILE 6 HG21 ILE 6 1.423 -4.872 -4.201 64 3HG2 ILE 6 HG23 ILE 6 2.598 -4.862 -2.885 65 1HD1 ILE 6 HD13 ILE 6 3.845 -4.511 -6.127 66 2HD1 ILE 6 HD12 ILE 6 3.465 -5.257 -7.679 67 3HD1 ILE 6 HD11 ILE 6 2.202 -4.435 -6.763 68 H GLU 7 HN GLU 7 5.105 -6.958 -1.872 69 HA GLU 7 HA GLU 7 4.760 -4.645 -0.373 70 1HB GLU 7 HB2 GLU 7 5.659 -7.106 0.233 71 2HB GLU 7 HB1 GLU 7 7.197 -6.242 0.258 72 1HG GLU 7 HG2 GLU 7 6.679 -5.171 2.181 73 2HG GLU 7 HG1 GLU 7 5.058 -4.772 1.612 74 H GLU 8 HN GLU 8 8.017 -5.683 -1.467 75 HA GLU 8 HA GLU 8 9.108 -3.040 -1.095 76 1HB GLU 8 HB2 GLU 8 11.100 -3.911 -2.206 77 2HB GLU 8 HB1 GLU 8 10.479 -5.151 -1.116 78 1HG GLU 8 HG2 GLU 8 9.436 -6.336 -2.943 79 2HG GLU 8 HG1 GLU 8 9.804 -5.026 -4.067 80 H ILE 9 HN ILE 9 7.553 -4.680 -3.806 81 HA ILE 9 HA ILE 9 8.325 -3.007 -5.940 82 HB ILE 9 HB ILE 9 5.557 -4.094 -5.304 83 1HG1 ILE 9 HG12 ILE 9 7.408 -5.771 -5.584 84 2HG1 ILE 9 HG11 ILE 9 6.162 -5.897 -6.826 85 1HG2 ILE 9 HG23 ILE 9 5.499 -2.202 -6.908 86 2HG2 ILE 9 HG22 ILE 9 6.684 -3.035 -7.914 87 3HG2 ILE 9 HG21 ILE 9 5.079 -3.728 -7.685 88 1HD1 ILE 9 HD12 ILE 9 8.190 -3.991 -7.623 89 2HD1 ILE 9 HD11 ILE 9 8.926 -5.546 -7.235 90 3HD1 ILE 9 HD13 ILE 9 7.653 -5.451 -8.452 91 H ALA 10 HN ALA 10 6.355 -2.462 -3.148 92 HA ALA 10 HA ALA 10 5.539 0.245 -4.014 93 1HB ALA 10 HB3 ALA 10 4.003 -1.282 -2.673 94 2HB ALA 10 HB2 ALA 10 5.124 -1.103 -1.323 95 3HB ALA 10 HB1 ALA 10 4.268 0.306 -1.950 96 H ALA 11 HN ALA 11 7.730 -1.453 -1.837 97 HA ALA 11 HA ALA 11 8.686 0.667 -0.276 98 1HB ALA 11 HB3 ALA 11 10.276 -1.622 -1.442 99 2HB ALA 11 HB2 ALA 11 10.815 -0.582 -0.123 100 3HB ALA 11 HB1 ALA 11 9.416 -1.634 0.098 101 H LYS 12 HN LYS 12 9.088 0.053 -3.656 102 HA LYS 12 HA LYS 12 11.335 1.964 -3.881 103 1HB LYS 12 HB2 LYS 12 10.097 -0.096 -5.631 104 2HB LYS 12 HB1 LYS 12 10.798 1.308 -6.438 105 1HG LYS 12 HG2 LYS 12 12.794 0.270 -6.230 106 2HG LYS 12 HG1 LYS 12 12.692 0.647 -4.509 107 1HD LYS 12 HD2 LYS 12 12.921 -1.641 -4.353 108 2HD LYS 12 HD1 LYS 12 11.166 -1.554 -4.515 109 1HE LYS 12 HE2 LYS 12 13.101 -1.928 -6.821 110 2HE LYS 12 HE1 LYS 12 12.169 -3.221 -6.067 111 1HZ LYS 12 HZ3 LYS 12 10.151 -1.836 -6.595 112 2HZ LYS 12 HZ2 LYS 12 11.158 -0.888 -7.582 113 3HZ LYS 12 HZ1 LYS 12 10.937 -2.537 -7.925 114 H TYR 13 HN TYR 13 7.874 1.816 -4.424 115 HA TYR 13 HA TYR 13 7.548 3.914 -6.280 116 1HB TYR 13 HB2 TYR 13 5.862 2.946 -3.963 117 2HB TYR 13 HB1 TYR 13 5.367 4.363 -4.869 118 HD1 TYR 13 HD1 TYR 13 7.147 1.370 -6.065 119 HD2 TYR 13 HD2 TYR 13 3.441 3.586 -6.201 120 HE1 TYR 13 HE1 TYR 13 6.323 -0.119 -7.853 121 HE2 TYR 13 HE2 TYR 13 2.661 2.103 -7.996 122 HH TYR 13 HH TYR 13 3.025 -0.034 -8.892 123 H LYS 14 HN LYS 14 9.032 5.532 -6.027 124 HA LYS 14 HA LYS 14 10.439 6.943 -4.549 125 1HB LYS 14 HB2 LYS 14 8.345 7.941 -6.183 126 2HB LYS 14 HB1 LYS 14 8.418 8.956 -4.741 127 1HG LYS 14 HG2 LYS 14 9.938 9.754 -6.552 128 2HG LYS 14 HG1 LYS 14 10.808 9.325 -5.078 129 1HD LYS 14 HD2 LYS 14 10.599 6.950 -6.609 130 2HD LYS 14 HD1 LYS 14 11.105 8.224 -7.721 131 1HE LYS 14 HE2 LYS 14 12.447 8.165 -5.067 132 2HE LYS 14 HE1 LYS 14 12.858 6.869 -6.190 133 1HZ LYS 14 HZ3 LYS 14 12.773 9.394 -7.498 134 2HZ LYS 14 HZ2 LYS 14 13.862 9.421 -6.195 135 3HZ LYS 14 HZ1 LYS 14 14.035 8.263 -7.426 136 H HIS 15 HN HIS 15 10.710 6.679 -2.408 137 HA HIS 15 HA HIS 15 8.873 6.346 -0.375 138 1HB HIS 15 HB2 HIS 15 10.562 7.334 1.154 139 2HB HIS 15 HB1 HIS 15 11.287 6.214 0.001 140 HD1 HIS 15 HD1 HIS 15 12.808 8.649 1.379 141 HD2 HIS 15 HD2 HIS 15 11.237 8.633 -2.482 142 HE1 HIS 15 HE1 HIS 15 14.087 10.401 0.078 143 H SER 16 HN SER 16 9.549 9.321 -2.090 144 HA SER 16 HA SER 16 8.734 11.321 -0.367 145 1HB SER 16 HB2 SER 16 8.980 11.080 -3.138 146 2HB SER 16 HB1 SER 16 7.305 11.569 -2.897 147 HG SER 16 HG SER 16 8.482 13.427 -2.929 148 H VAL 17 HN VAL 17 6.313 10.015 -2.610 149 HA VAL 17 HA VAL 17 4.430 9.704 -0.322 150 HB VAL 17 HB VAL 17 2.702 10.614 -2.158 151 1HG1 VAL 17 HG11 VAL 17 3.245 11.479 0.183 152 2HG1 VAL 17 HG13 VAL 17 4.411 12.555 -0.588 153 3HG1 VAL 17 HG12 VAL 17 2.695 12.690 -0.975 154 1HG2 VAL 17 HG23 VAL 17 5.351 11.938 -2.813 155 2HG2 VAL 17 HG22 VAL 17 4.313 11.030 -3.913 156 3HG2 VAL 17 HG21 VAL 17 3.787 12.595 -3.294 157 H VAL 18 HN VAL 18 4.845 9.245 -3.829 158 HA VAL 18 HA VAL 18 3.006 7.287 -4.417 159 HB VAL 18 HB VAL 18 4.626 8.157 -6.045 160 1HG1 VAL 18 HG13 VAL 18 6.486 6.850 -4.135 161 2HG1 VAL 18 HG12 VAL 18 6.923 6.788 -5.839 162 3HG1 VAL 18 HG11 VAL 18 6.680 8.345 -5.043 163 1HG2 VAL 18 HG21 VAL 18 4.005 5.336 -5.678 164 2HG2 VAL 18 HG23 VAL 18 4.045 6.283 -7.165 165 3HG2 VAL 18 HG22 VAL 18 5.523 5.550 -6.548 166 H LYS 19 HN LYS 19 5.766 6.929 -2.274 167 HA LYS 19 HA LYS 19 5.854 4.049 -2.312 168 1HB LYS 19 HB2 LYS 19 7.785 4.933 -1.368 169 2HB LYS 19 HB1 LYS 19 6.915 6.212 -0.535 170 1HG LYS 19 HG2 LYS 19 6.675 4.945 1.335 171 2HG LYS 19 HG1 LYS 19 6.179 3.529 0.409 172 1HD LYS 19 HD2 LYS 19 8.248 2.639 0.470 173 2HD LYS 19 HD1 LYS 19 9.000 4.166 0.012 174 1HE LYS 19 HE2 LYS 19 8.981 4.951 2.284 175 2HE LYS 19 HE1 LYS 19 7.962 3.607 2.801 176 1HZ LYS 19 HZ3 LYS 19 10.327 2.703 1.492 177 2HZ LYS 19 HZ2 LYS 19 10.698 3.682 2.832 178 3HZ LYS 19 HZ1 LYS 19 9.726 2.302 3.027 179 H LYS 20 HN LYS 20 5.056 5.759 0.682 180 HA LYS 20 HA LYS 20 3.432 3.827 1.807 181 1HB LYS 20 HB2 LYS 20 2.880 6.805 1.975 182 2HB LYS 20 HB1 LYS 20 2.410 5.581 3.155 183 1HG LYS 20 HG2 LYS 20 5.187 5.249 2.757 184 2HG LYS 20 HG1 LYS 20 4.921 6.985 2.916 185 1HD LYS 20 HD2 LYS 20 3.509 5.172 4.827 186 2HD LYS 20 HD1 LYS 20 5.235 5.442 5.063 187 1HE LYS 20 HE2 LYS 20 4.595 7.973 4.744 188 2HE LYS 20 HE1 LYS 20 2.979 7.419 5.183 189 1HZ LYS 20 HZ1 LYS 20 5.430 6.911 6.778 190 2HZ LYS 20 HZ3 LYS 20 4.305 8.138 7.106 191 3HZ LYS 20 HZ2 LYS 20 3.838 6.509 7.213 192 H CYS 21 HN CYS 21 2.623 5.920 -0.848 193 HA CYS 21 HA CYS 21 -0.262 5.619 -0.766 194 1HB CYS 21 HB2 CYS 21 1.580 6.027 -3.121 195 2HB CYS 21 HB1 CYS 21 -0.166 6.210 -3.069 196 H CYS 22 HN CYS 22 2.004 4.222 -3.149 197 HA CYS 22 HA CYS 22 0.369 2.282 -4.183 198 1HB CYS 22 HB2 CYS 22 2.307 2.371 -5.286 199 2HB CYS 22 HB1 CYS 22 3.293 2.536 -3.843 200 H TYR 23 HN TYR 23 2.239 2.179 -1.176 201 HA TYR 23 HA TYR 23 1.696 -0.518 -0.462 202 1HB TYR 23 HB2 TYR 23 2.229 1.998 1.092 203 2HB TYR 23 HB1 TYR 23 1.660 0.568 1.955 204 HD1 TYR 23 HD2 TYR 23 4.334 1.917 -0.204 205 HD2 TYR 23 HD1 TYR 23 3.068 -1.371 2.239 206 HE1 TYR 23 HE2 TYR 23 6.630 0.980 -0.284 207 HE2 TYR 23 HE1 TYR 23 5.360 -2.318 2.151 208 HH TYR 23 HH TYR 23 7.559 -1.761 1.686 209 H ASP 24 HN ASP 24 -0.051 2.491 0.263 210 HA ASP 24 HA ASP 24 -2.322 1.544 1.539 211 1HB ASP 24 HB2 ASP 24 -1.887 3.808 -0.444 212 2HB ASP 24 HB1 ASP 24 -3.520 3.417 0.124 213 H GLY 25 HN GLY 25 -1.805 1.748 -1.967 214 1HA GLY 25 HA2 GLY 25 -4.238 0.740 -2.899 215 2HA GLY 25 HA1 GLY 25 -2.698 0.510 -3.725 216 H ALA 26 HN ALA 26 -1.261 -1.245 -2.500 217 HA ALA 26 HA ALA 26 -2.969 -3.664 -2.448 218 1HB ALA 26 HB3 ALA 26 -0.740 -3.417 -3.729 219 2HB ALA 26 HB2 ALA 26 0.032 -3.621 -2.156 220 3HB ALA 26 HB1 ALA 26 -0.991 -4.902 -2.810 221 H SER 27 HN SER 27 -2.476 -1.580 -0.108 222 HA SER 27 HA SER 27 -1.593 -3.528 1.939 223 1HB SER 27 HB2 SER 27 -1.809 -0.569 1.861 224 2HB SER 27 HB1 SER 27 -1.781 -1.393 3.403 225 HG SER 27 HG SER 27 0.274 -1.712 3.137 226 H VAL 28 HN VAL 28 -4.148 -1.095 1.476 227 HA VAL 28 HA VAL 28 -5.755 -2.282 3.605 228 HB VAL 28 HB VAL 28 -5.631 0.203 2.662 229 1HG1 VAL 28 HG13 VAL 28 -7.825 -1.094 1.028 230 2HG1 VAL 28 HG12 VAL 28 -7.701 0.640 1.289 231 3HG1 VAL 28 HG11 VAL 28 -6.422 -0.213 0.430 232 1HG2 VAL 28 HG22 VAL 28 -6.916 -0.655 4.641 233 2HG2 VAL 28 HG21 VAL 28 -7.731 0.652 3.781 234 3HG2 VAL 28 HG23 VAL 28 -8.257 -1.014 3.559 235 H ASN 29 HN ASN 29 -8.211 -2.724 2.943 236 HA ASN 29 HA ASN 29 -8.463 -5.136 1.669 237 1HB ASN 29 HB2 ASN 29 -10.264 -3.103 2.484 238 2HB ASN 29 HB1 ASN 29 -10.706 -3.527 0.831 239 1HD2 ASN 29 HD22 ASN 29 -12.202 -5.912 3.455 240 2HD2 ASN 29 HD21 ASN 29 -12.063 -4.220 3.479 241 H ASN 30 HN ASN 30 -9.111 -5.788 -0.503 242 HA ASN 30 HA ASN 30 -7.526 -4.723 -2.574 243 1HB ASN 30 HB2 ASN 30 -8.938 -6.027 -4.111 244 2HB ASN 30 HB1 ASN 30 -8.577 -6.963 -2.660 245 1HD2 ASN 30 HD22 ASN 30 -12.023 -7.527 -2.225 246 2HD2 ASN 30 HD21 ASN 30 -10.460 -8.183 -2.314 247 H ASP 31 HN ASP 31 -10.488 -3.529 -1.267 248 HA ASP 31 HA ASP 31 -10.514 -1.453 -3.402 249 1HB ASP 31 HB2 ASP 31 -12.584 -3.427 -2.855 250 2HB ASP 31 HB1 ASP 31 -13.196 -1.782 -2.685 251 H GLU 32 HN GLU 32 -10.070 -1.991 -0.235 252 HA GLU 32 HA GLU 32 -11.833 -0.218 1.114 253 1HB GLU 32 HB2 GLU 32 -9.441 -1.642 1.738 254 2HB GLU 32 HB1 GLU 32 -9.218 0.032 2.244 255 1HG GLU 32 HG2 GLU 32 -11.518 -1.788 3.009 256 2HG GLU 32 HG1 GLU 32 -10.238 -1.205 4.073 257 H THR 33 HN THR 33 -8.654 0.408 -0.390 258 HA THR 33 HA THR 33 -9.377 3.311 -0.419 259 HB THR 33 HB THR 33 -6.575 2.170 -0.451 260 HG1 THR 33 HG1 THR 33 -8.238 3.057 1.645 261 1HG2 THR 33 HG21 THR 33 -7.693 4.954 -0.072 262 2HG2 THR 33 HG23 THR 33 -5.997 4.524 0.142 263 3HG2 THR 33 HG22 THR 33 -6.751 4.374 -1.445 264 H CYS 34 HN CYS 34 -7.946 0.599 -2.180 265 HA CYS 34 HA CYS 34 -6.999 1.625 -4.547 266 1HB CYS 34 HB2 CYS 34 -7.747 -0.831 -3.822 267 2HB CYS 34 HB1 CYS 34 -9.162 -0.433 -4.794 268 H GLU 35 HN GLU 35 -10.330 1.665 -3.423 269 HA GLU 35 HA GLU 35 -11.315 2.828 -5.958 270 1HB GLU 35 HB2 GLU 35 -12.476 1.157 -4.128 271 2HB GLU 35 HB1 GLU 35 -13.150 2.718 -3.656 272 1HG GLU 35 HG2 GLU 35 -14.653 1.905 -5.296 273 2HG GLU 35 HG1 GLU 35 -13.642 3.060 -6.164 274 H GLN 36 HN GLN 36 -12.059 3.799 -2.597 275 HA GLN 36 HA GLN 36 -12.786 6.407 -2.983 276 1HB GLN 36 HB2 GLN 36 -11.042 5.232 -0.814 277 2HB GLN 36 HB1 GLN 36 -11.558 6.918 -0.774 278 1HG GLN 36 HG2 GLN 36 -13.947 5.983 -1.138 279 2HG GLN 36 HG1 GLN 36 -13.261 4.432 -0.656 280 1HE2 GLN 36 HE22 GLN 36 -14.213 5.595 2.605 281 2HE2 GLN 36 HE21 GLN 36 -14.736 4.651 1.295 282 H ARG 37 HN ARG 37 -9.560 5.131 -3.341 283 HA ARG 37 HA ARG 37 -8.449 7.837 -3.765 284 1HB ARG 37 HB2 ARG 37 -7.383 5.217 -2.986 285 2HB ARG 37 HB1 ARG 37 -6.384 6.059 -4.171 286 1HG ARG 37 HG2 ARG 37 -5.844 6.580 -1.746 287 2HG ARG 37 HG1 ARG 37 -6.193 7.986 -2.750 288 1HD ARG 37 HD2 ARG 37 -8.064 8.496 -1.577 289 2HD ARG 37 HD1 ARG 37 -8.592 6.815 -1.534 290 HE ARG 37 HE ARG 37 -6.471 6.899 0.254 291 1HH1 ARG 37 HH21 ARG 37 -9.424 8.627 -0.221 292 2HH1 ARG 37 HH22 ARG 37 -9.643 8.971 1.462 293 1HH2 ARG 37 HH12 ARG 37 -6.747 7.341 2.450 294 2HH2 ARG 37 HH11 ARG 37 -8.131 8.244 2.972 295 H ALA 38 HN ALA 38 -8.856 4.714 -5.532 296 HA ALA 38 HA ALA 38 -7.914 6.104 -7.990 297 1HB ALA 38 HB3 ALA 38 -7.349 3.617 -7.125 298 2HB ALA 38 HB2 ALA 38 -8.780 3.262 -8.092 299 3HB ALA 38 HB1 ALA 38 -7.384 4.041 -8.835 300 H ALA 39 HN ALA 39 -10.624 6.553 -6.679 301 HA ALA 39 HA ALA 39 -12.213 6.025 -9.149 302 1HB ALA 39 HB1 ALA 39 -12.614 4.681 -6.734 303 2HB ALA 39 HB3 ALA 39 -13.842 5.947 -6.734 304 3HB ALA 39 HB2 ALA 39 -13.765 4.793 -8.066 305 H ARG 40 HN ARG 40 -12.860 7.559 -5.978 306 HA ARG 40 HA ARG 40 -14.063 9.854 -7.348 307 1HB ARG 40 HB2 ARG 40 -14.734 10.549 -5.151 308 2HB ARG 40 HB1 ARG 40 -14.965 8.806 -5.221 309 1HG ARG 40 HG2 ARG 40 -12.486 8.759 -4.305 310 2HG ARG 40 HG1 ARG 40 -12.885 10.385 -3.750 311 1HD ARG 40 HD2 ARG 40 -14.969 8.369 -3.210 312 2HD ARG 40 HD1 ARG 40 -13.452 8.100 -2.352 313 HE ARG 40 HE ARG 40 -13.972 10.797 -1.961 314 1HH1 ARG 40 HH21 ARG 40 -15.672 7.824 -1.507 315 2HH1 ARG 40 HH22 ARG 40 -16.591 8.407 -0.161 316 1HH2 ARG 40 HH12 ARG 40 -15.166 11.566 -0.205 317 2HH2 ARG 40 HH11 ARG 40 -16.306 10.521 0.575 318 H ILE 41 HN ILE 41 -11.454 9.825 -8.123 319 HA ILE 41 HA ILE 41 -9.770 11.386 -6.321 320 HB ILE 41 HB ILE 41 -9.396 10.898 -9.288 321 1HG1 ILE 41 HG12 ILE 41 -7.770 9.231 -7.612 322 2HG1 ILE 41 HG11 ILE 41 -9.460 9.017 -7.149 323 1HG2 ILE 41 HG23 ILE 41 -8.019 12.533 -7.546 324 2HG2 ILE 41 HG22 ILE 41 -7.088 11.035 -7.486 325 3HG2 ILE 41 HG21 ILE 41 -7.358 11.844 -9.030 326 1HD1 ILE 41 HD13 ILE 41 -9.433 9.103 -9.973 327 2HD1 ILE 41 HD12 ILE 41 -8.097 8.050 -9.504 328 3HD1 ILE 41 HD11 ILE 41 -9.734 7.697 -8.950 329 H SER 42 HN SER 42 -9.453 13.603 -6.360 330 HA SER 42 HA SER 42 -11.386 15.177 -7.951 331 1HB SER 42 HB2 SER 42 -10.002 17.039 -6.558 332 2HB SER 42 HB1 SER 42 -11.366 16.157 -5.877 333 HG SER 42 HG SER 42 -9.661 15.944 -4.472 334 H LEU 43 HN LEU 43 -7.914 15.623 -7.196 335 HA LEU 43 HA LEU 43 -7.513 16.347 -10.070 336 1HB LEU 43 HB2 LEU 43 -5.600 17.823 -9.028 337 2HB LEU 43 HB1 LEU 43 -7.257 18.427 -9.030 338 HG LEU 43 HG LEU 43 -7.555 17.519 -6.728 339 1HD1 LEU 43 HD12 LEU 43 -4.609 16.878 -7.054 340 2HD1 LEU 43 HD11 LEU 43 -5.452 16.877 -5.504 341 3HD1 LEU 43 HD13 LEU 43 -5.917 15.731 -6.762 342 1HD2 LEU 43 HD23 LEU 43 -5.244 19.431 -7.184 343 2HD2 LEU 43 HD22 LEU 43 -6.940 19.855 -6.954 344 3HD2 LEU 43 HD21 LEU 43 -6.011 19.177 -5.617 345 H GLY 44 HN GLY 44 -7.157 13.778 -8.665 346 1HA GLY 44 HA2 GLY 44 -5.555 12.076 -8.441 347 2HA GLY 44 HA1 GLY 44 -4.752 12.873 -9.790 348 HA PRO 45 HA PRO 45 -3.134 14.849 -5.479 349 1HB PRO 45 HB2 PRO 45 -3.240 12.457 -3.855 350 2HB PRO 45 HB1 PRO 45 -3.923 14.050 -3.517 351 1HG PRO 45 HG2 PRO 45 -5.308 11.668 -4.266 352 2HG PRO 45 HG1 PRO 45 -5.986 13.268 -3.947 353 1HD PRO 45 HD2 PRO 45 -5.859 11.943 -6.438 354 2HD PRO 45 HD1 PRO 45 -6.349 13.615 -6.146 355 H ARG 46 HN ARG 46 -2.658 11.310 -5.336 356 HA ARG 46 HA ARG 46 -0.335 11.203 -6.967 357 1HB ARG 46 HB2 ARG 46 0.286 12.675 -4.798 358 2HB ARG 46 HB1 ARG 46 0.597 11.066 -4.145 359 1HG ARG 46 HG2 ARG 46 2.593 11.126 -5.189 360 2HG ARG 46 HG1 ARG 46 1.715 11.016 -6.714 361 1HD ARG 46 HD2 ARG 46 1.423 13.657 -6.225 362 2HD ARG 46 HD1 ARG 46 2.965 13.379 -5.416 363 HE ARG 46 HE ARG 46 3.269 12.141 -7.880 364 1HH1 ARG 46 HH21 ARG 46 2.338 15.267 -6.743 365 2HH1 ARG 46 HH22 ARG 46 2.962 16.099 -8.127 366 1HH2 ARG 46 HH12 ARG 46 4.087 13.216 -9.689 367 2HH2 ARG 46 HH11 ARG 46 3.952 14.940 -9.792 368 H CYS 47 HN CYS 47 -1.482 9.949 -3.794 369 HA CYS 47 HA CYS 47 -0.460 7.339 -4.229 370 1HB CYS 47 HB2 CYS 47 -2.939 7.906 -2.586 371 2HB CYS 47 HB1 CYS 47 -1.830 6.577 -2.390 372 H ILE 48 HN ILE 48 -3.408 8.861 -5.372 373 HA ILE 48 HA ILE 48 -4.667 6.390 -6.039 374 HB ILE 48 HB ILE 48 -6.225 7.674 -7.305 375 1HG1 ILE 48 HG12 ILE 48 -4.457 8.887 -8.682 376 2HG1 ILE 48 HG11 ILE 48 -5.834 9.865 -8.210 377 1HG2 ILE 48 HG22 ILE 48 -6.113 8.141 -4.837 378 2HG2 ILE 48 HG21 ILE 48 -5.170 9.584 -5.213 379 3HG2 ILE 48 HG23 ILE 48 -6.831 9.442 -5.788 380 1HD1 ILE 48 HD13 ILE 48 -4.518 10.668 -6.231 381 2HD1 ILE 48 HD12 ILE 48 -3.113 9.831 -6.885 382 3HD1 ILE 48 HD11 ILE 48 -3.845 11.154 -7.784 383 H LYS 49 HN LYS 49 -2.704 8.599 -8.133 384 HA LYS 49 HA LYS 49 -2.769 6.833 -10.381 385 1HB LYS 49 HB2 LYS 49 -1.100 9.145 -9.518 386 2HB LYS 49 HB1 LYS 49 -0.419 8.089 -10.755 387 1HG LYS 49 HG2 LYS 49 -3.121 8.484 -11.477 388 2HG LYS 49 HG1 LYS 49 -2.502 10.071 -11.020 389 1HD LYS 49 HD2 LYS 49 -0.451 8.849 -12.527 390 2HD LYS 49 HD1 LYS 49 -1.951 8.534 -13.401 391 1HE LYS 49 HE2 LYS 49 -2.465 11.045 -13.001 392 2HE LYS 49 HE1 LYS 49 -0.745 11.189 -12.640 393 1HZ LYS 49 HZ3 LYS 49 -1.811 9.974 -15.127 394 2HZ LYS 49 HZ2 LYS 49 -1.336 11.601 -15.001 395 3HZ LYS 49 HZ1 LYS 49 -0.195 10.360 -14.783 396 H ALA 50 HN ALA 50 -0.053 7.415 -8.122 397 HA ALA 50 HA ALA 50 1.594 5.266 -8.890 398 1HB ALA 50 HB3 ALA 50 1.060 6.306 -6.094 399 2HB ALA 50 HB2 ALA 50 2.403 5.259 -6.538 400 3HB ALA 50 HB1 ALA 50 2.305 6.893 -7.194 401 H PHE 51 HN PHE 51 -0.587 5.301 -6.153 402 HA PHE 51 HA PHE 51 -0.379 2.512 -5.816 403 1HB PHE 51 HB2 PHE 51 -1.257 2.982 -3.863 404 2HB PHE 51 HB1 PHE 51 -1.247 4.653 -4.306 405 HD1 PHE 51 HD1 PHE 51 -3.574 4.419 -6.369 406 HD2 PHE 51 HD2 PHE 51 -3.086 3.050 -2.356 407 HE1 PHE 51 HE1 PHE 51 -6.020 4.389 -6.080 408 HE2 PHE 51 HE2 PHE 51 -5.535 3.045 -2.059 409 HZ PHE 51 HZ PHE 51 -7.008 3.706 -3.932 410 H THR 52 HN THR 52 -2.155 4.175 -8.161 411 HA THR 52 HA THR 52 -4.454 2.344 -8.195 412 HB THR 52 HB THR 52 -3.523 4.605 -9.951 413 HG1 THR 52 HG1 THR 52 -5.700 5.200 -9.598 414 1HG2 THR 52 HG23 THR 52 -5.499 2.458 -10.779 415 2HG2 THR 52 HG22 THR 52 -5.338 4.020 -11.580 416 3HG2 THR 52 HG21 THR 52 -3.995 2.879 -11.597 417 H GLU 53 HN GLU 53 -1.457 2.865 -10.035 418 HA GLU 53 HA GLU 53 -1.917 0.466 -11.655 419 1HB GLU 53 HB2 GLU 53 -0.098 2.653 -11.685 420 2HB GLU 53 HB1 GLU 53 0.868 1.190 -11.502 421 1HG GLU 53 HG2 GLU 53 0.236 0.345 -13.552 422 2HG GLU 53 HG1 GLU 53 -1.346 1.124 -13.499 423 H CYS 54 HN CYS 54 -0.351 1.298 -8.647 424 HA CYS 54 HA CYS 54 1.038 -1.239 -8.328 425 1HB CYS 54 HB2 CYS 54 2.009 0.541 -7.197 426 2HB CYS 54 HB1 CYS 54 0.467 1.156 -6.595 427 H CYS 55 HN CYS 55 -2.075 0.069 -7.309 428 HA CYS 55 HA CYS 55 -2.691 -2.199 -5.588 429 1HB CYS 55 HB2 CYS 55 -3.827 -0.118 -5.076 430 2HB CYS 55 HB1 CYS 55 -4.444 0.023 -6.718 431 H VAL 56 HN VAL 56 -3.797 -1.089 -8.790 432 HA VAL 56 HA VAL 56 -5.405 -3.308 -9.440 433 HB VAL 56 HB VAL 56 -4.913 -2.742 -11.821 434 1HG1 VAL 56 HG12 VAL 56 -5.624 -0.654 -9.787 435 2HG1 VAL 56 HG11 VAL 56 -5.478 -0.182 -11.481 436 3HG1 VAL 56 HG13 VAL 56 -6.644 -1.418 -11.007 437 1HG2 VAL 56 HG22 VAL 56 -2.736 -1.180 -10.476 438 2HG2 VAL 56 HG21 VAL 56 -2.684 -2.106 -11.976 439 3HG2 VAL 56 HG23 VAL 56 -3.463 -0.525 -11.943 440 H VAL 57 HN VAL 57 -1.894 -2.820 -10.164 441 HA VAL 57 HA VAL 57 -1.459 -5.382 -11.278 442 HB VAL 57 HB VAL 57 0.356 -3.823 -11.368 443 1HG1 VAL 57 HG11 VAL 57 -0.515 -2.985 -8.921 444 2HG1 VAL 57 HG13 VAL 57 0.973 -3.826 -8.486 445 3HG1 VAL 57 HG12 VAL 57 1.013 -2.502 -9.650 446 1HG2 VAL 57 HG22 VAL 57 0.661 -6.417 -10.255 447 2HG2 VAL 57 HG21 VAL 57 1.863 -5.484 -11.148 448 3HG2 VAL 57 HG23 VAL 57 1.779 -5.361 -9.391 449 H ALA 58 HN ALA 58 -0.972 -4.427 -7.831 450 HA ALA 58 HA ALA 58 -0.361 -6.832 -6.663 451 1HB ALA 58 HB3 ALA 58 -1.989 -4.510 -5.811 452 2HB ALA 58 HB2 ALA 58 -2.253 -5.993 -4.894 453 3HB ALA 58 HB1 ALA 58 -0.636 -5.295 -4.997 454 H SER 59 HN SER 59 -3.606 -5.813 -7.662 455 HA SER 59 HA SER 59 -4.987 -8.183 -6.838 456 1HB SER 59 HB2 SER 59 -5.951 -6.934 -9.320 457 2HB SER 59 HB1 SER 59 -6.790 -7.184 -7.792 458 HG SER 59 HG SER 59 -5.956 -5.326 -7.015 459 H GLN 60 HN GLN 60 -4.095 -7.211 -10.136 460 HA GLN 60 HA GLN 60 -4.628 -9.453 -11.563 461 1HB GLN 60 HB2 GLN 60 -3.318 -7.264 -12.224 462 2HB GLN 60 HB1 GLN 60 -1.896 -8.272 -11.952 463 1HG GLN 60 HG2 GLN 60 -2.188 -9.245 -13.956 464 2HG GLN 60 HG1 GLN 60 -3.790 -9.793 -13.463 465 1HE2 GLN 60 HE22 GLN 60 -3.457 -6.343 -15.671 466 2HE2 GLN 60 HE21 GLN 60 -2.099 -6.934 -14.840 467 H LEU 61 HN LEU 61 -1.521 -9.061 -9.780 468 HA LEU 61 HA LEU 61 -0.929 -11.892 -10.265 469 1HB LEU 61 HB2 LEU 61 0.753 -11.067 -8.166 470 2HB LEU 61 HB1 LEU 61 1.181 -11.320 -9.847 471 HG LEU 61 HG LEU 61 1.906 -9.151 -9.164 472 1HD1 LEU 61 HD13 LEU 61 0.092 -9.592 -11.300 473 2HD1 LEU 61 HD12 LEU 61 -0.253 -7.994 -10.640 474 3HD1 LEU 61 HD11 LEU 61 1.373 -8.385 -11.197 475 1HD2 LEU 61 HD21 LEU 61 -0.928 -8.735 -8.245 476 2HD2 LEU 61 HD23 LEU 61 0.535 -8.700 -7.273 477 3HD2 LEU 61 HD22 LEU 61 0.221 -7.420 -8.443 478 H ARG 62 HN ARG 62 -1.024 -10.172 -7.132 479 HA ARG 62 HA ARG 62 -1.207 -12.096 -5.313 480 1HB ARG 62 HB2 ARG 62 -3.250 -9.878 -5.581 481 2HB ARG 62 HB1 ARG 62 -3.121 -10.901 -4.152 482 1HG ARG 62 HG2 ARG 62 -0.736 -9.418 -5.266 483 2HG ARG 62 HG1 ARG 62 -1.829 -8.681 -4.095 484 1HD ARG 62 HD2 ARG 62 -1.040 -11.373 -3.310 485 2HD ARG 62 HD1 ARG 62 0.354 -10.313 -3.498 486 HE ARG 62 HE ARG 62 -1.428 -10.284 -1.298 487 1HH1 ARG 62 HH21 ARG 62 -0.044 -8.059 -3.566 488 2HH1 ARG 62 HH22 ARG 62 -0.398 -6.671 -2.597 489 1HH2 ARG 62 HH12 ARG 62 -1.861 -8.481 -0.036 490 2HH2 ARG 62 HH11 ARG 62 -1.412 -6.908 -0.603 491 H ALA 63 HN ALA 63 -4.010 -11.473 -7.437 492 HA ALA 63 HA ALA 63 -5.732 -13.471 -6.434 493 1HB ALA 63 HB2 ALA 63 -5.306 -12.298 -9.180 494 2HB ALA 63 HB1 ALA 63 -6.449 -13.621 -8.951 495 3HB ALA 63 HB3 ALA 63 -6.682 -12.095 -8.096 496 H ASN 64 HN ASN 64 -3.598 -13.800 -9.283 497 HA ASN 64 HA ASN 64 -3.003 -16.593 -8.416 498 1HB ASN 64 HB2 ASN 64 -4.583 -15.854 -10.664 499 2HB ASN 64 HB1 ASN 64 -3.035 -16.423 -11.288 500 1HD2 ASN 64 HD22 ASN 64 -5.658 -19.091 -9.792 501 2HD2 ASN 64 HD21 ASN 64 -6.053 -17.456 -10.013 502 H ILE 65 HN ILE 65 -1.243 -14.687 -7.796 503 HA ILE 65 HA ILE 65 0.562 -13.624 -9.601 504 HB ILE 65 HB ILE 65 1.949 -15.023 -7.393 505 1HG1 ILE 65 HG12 ILE 65 -0.348 -13.116 -6.890 506 2HG1 ILE 65 HG11 ILE 65 -0.144 -14.739 -6.231 507 1HG2 ILE 65 HG21 ILE 65 2.137 -12.633 -8.938 508 2HG2 ILE 65 HG23 ILE 65 1.954 -12.159 -7.250 509 3HG2 ILE 65 HG22 ILE 65 3.271 -13.231 -7.727 510 1HD1 ILE 65 HD12 ILE 65 2.197 -13.460 -5.477 511 2HD1 ILE 65 HD11 ILE 65 0.977 -12.198 -5.296 512 3HD1 ILE 65 HD13 ILE 65 0.797 -13.728 -4.438 513 H SER 66 HN SER 66 1.189 -14.674 -11.430 514 HA SER 66 HA SER 66 3.041 -16.898 -11.214 515 1HB SER 66 HB2 SER 66 1.618 -18.430 -12.664 516 2HB SER 66 HB1 SER 66 1.076 -18.255 -10.997 517 HG SER 66 HG SER 66 -0.584 -18.018 -12.648 518 H HIS 67 HN HIS 67 0.869 -15.044 -13.341 519 HA HIS 67 HA HIS 67 2.733 -15.383 -15.605 520 1HB HIS 67 HB2 HIS 67 -0.042 -14.846 -15.341 521 2HB HIS 67 HB1 HIS 67 0.680 -13.427 -16.100 522 HD1 HIS 67 HD1 HIS 67 -0.968 -16.203 -17.228 523 HD2 HIS 67 HD2 HIS 67 2.858 -14.782 -18.082 524 HE1 HIS 67 HE1 HIS 67 -0.299 -17.232 -19.444 525 H LYS 68 HN LYS 68 2.630 -12.916 -16.833 526 HA LYS 68 HA LYS 68 4.697 -11.457 -15.605 527 1HB LYS 68 HB2 LYS 68 3.112 -11.202 -17.929 528 2HB LYS 68 HB1 LYS 68 2.956 -9.670 -17.067 529 1HG LYS 68 HG2 LYS 68 5.698 -10.566 -16.977 530 2HG LYS 68 HG1 LYS 68 5.136 -10.526 -18.649 531 1HD LYS 68 HD2 LYS 68 4.523 -8.218 -16.825 532 2HD LYS 68 HD1 LYS 68 6.118 -8.342 -17.567 533 1HE LYS 68 HE2 LYS 68 5.200 -7.344 -19.376 534 2HE LYS 68 HE1 LYS 68 4.389 -8.883 -19.674 535 1HZ LYS 68 HZ1 LYS 68 2.740 -7.888 -17.897 536 2HZ LYS 68 HZ3 LYS 68 3.340 -6.420 -18.499 537 3HZ LYS 68 HZ2 LYS 68 2.593 -7.527 -19.551 538 H ASP 69 HN ASP 69 4.184 -8.911 -15.115 539 HA ASP 69 HA ASP 69 1.809 -8.664 -13.370 540 1HB ASP 69 HB2 ASP 69 3.198 -7.912 -11.449 541 2HB ASP 69 HB1 ASP 69 3.509 -9.597 -11.870 542 H MET 70 HN MET 70 1.071 -6.560 -13.329 543 HA MET 70 HA MET 70 2.320 -4.647 -15.128 544 1HB MET 70 HB2 MET 70 -0.233 -5.019 -14.370 545 2HB MET 70 HB1 MET 70 0.211 -3.773 -13.209 546 1HG MET 70 HG2 MET 70 -0.134 -2.253 -14.835 547 2HG MET 70 HG1 MET 70 1.297 -2.897 -15.640 548 1HE MET 70 HE3 MET 70 1.092 -2.650 -17.694 549 2HE MET 70 HE2 MET 70 0.001 -3.406 -18.852 550 3HE MET 70 HE1 MET 70 -0.465 -1.897 -18.069 551 H CYS 71 HN CYS 71 1.458 -2.413 -13.136 552 HA CYS 71 HA CYS 71 4.068 -1.772 -12.188 553 1HB CYS 71 HB2 CYS 71 1.301 -0.770 -11.514 554 2HB CYS 71 HB1 CYS 71 2.726 -0.120 -10.698 555 1H CYS 72 HN1 CYS 72 3.106 4.616 -12.003 556 2H CYS 72 HN3 CYS 72 1.777 3.584 -12.211 557 3H CYS 72 HN2 CYS 72 1.599 5.031 -11.341 558 HA CYS 72 HA CYS 72 1.725 3.414 -9.687 559 1HB CYS 72 HB2 CYS 72 4.008 1.998 -9.918 560 2HB CYS 72 HB1 CYS 72 2.411 1.427 -10.388 561 H LEU 73 HN LEU 73 4.930 4.176 -11.060 562 HA LEU 73 HA LEU 73 5.950 4.859 -8.448 563 1HB LEU 73 HB2 LEU 73 7.549 4.000 -9.975 564 2HB LEU 73 HB1 LEU 73 7.048 5.107 -11.251 565 HG LEU 73 HG LEU 73 7.826 6.993 -9.670 566 1HD1 LEU 73 HD11 LEU 73 8.926 4.531 -8.318 567 2HD1 LEU 73 HD13 LEU 73 9.731 6.093 -8.166 568 3HD1 LEU 73 HD12 LEU 73 8.075 5.894 -7.591 569 1HD2 LEU 73 HD21 LEU 73 9.634 5.007 -11.038 570 2HD2 LEU 73 HD23 LEU 73 9.145 6.609 -11.587 571 3HD2 LEU 73 HD22 LEU 73 10.294 6.445 -10.259 572 H GLY 74 HN GLY 74 6.612 7.029 -7.773 573 1HA GLY 74 HA2 GLY 74 5.325 9.237 -9.321 574 2HA GLY 74 HA1 GLY 74 5.081 9.111 -7.578 575 1HN DAR 75 HN ARG 75 7.153 10.290 -10.034 576 HA DAR 75 HA ARG 75 9.649 10.404 -8.684 577 1HB DAR 75 HB1 ARG 75 8.083 11.740 -7.094 578 2HB DAR 75 HB2 ARG 75 8.155 12.998 -8.328 579 1HG DAR 75 HG1 ARG 75 10.281 13.558 -7.774 580 2HG DAR 75 HG2 ARG 75 10.785 11.870 -7.672 581 1HD DAR 75 HD1 ARG 75 10.773 12.047 -5.428 582 2HD DAR 75 HD2 ARG 75 9.032 12.309 -5.501 583 HNE DAR 75 HE ARG 75 9.474 14.480 -4.807 584 1HH1 DAR 75 HH11 ARG 75 10.400 16.513 -5.024 585 2HH1 DAR 75 HH12 ARG 75 11.840 16.703 -5.967 586 1HH2 DAR 75 HH21 ARG 75 12.083 13.351 -6.790 587 2HH2 DAR 75 HH22 ARG 75 12.779 14.923 -6.969 No H/Q in entry = 587 Start of MODEL 2 1 1H MET 1 HN1 MET 1 7.768 -20.801 5.625 2 2H MET 1 HN3 MET 1 9.117 -21.079 4.637 3 3H MET 1 HN2 MET 1 9.299 -21.039 6.325 4 HA MET 1 HA MET 1 9.072 -18.761 6.454 5 1HB MET 1 HB2 MET 1 10.877 -19.853 4.571 6 2HB MET 1 HB1 MET 1 10.220 -18.395 3.829 7 1HG MET 1 HG2 MET 1 10.657 -17.561 6.410 8 2HG MET 1 HG1 MET 1 12.001 -18.674 6.157 9 1HE MET 1 HE1 MET 1 13.936 -17.779 5.881 10 2HE MET 1 HE3 MET 1 13.933 -18.286 4.186 11 3HE MET 1 HE2 MET 1 14.511 -16.681 4.629 12 H LEU 2 HN LEU 2 8.981 -16.813 4.460 13 HA LEU 2 HA LEU 2 6.297 -17.237 3.212 14 1HB LEU 2 HB2 LEU 2 5.629 -15.006 3.839 15 2HB LEU 2 HB1 LEU 2 6.219 -15.802 5.298 16 HG LEU 2 HG LEU 2 8.485 -14.640 4.075 17 1HD1 LEU 2 HD13 LEU 2 5.999 -13.030 3.766 18 2HD1 LEU 2 HD12 LEU 2 7.428 -12.179 4.352 19 3HD1 LEU 2 HD11 LEU 2 7.475 -13.016 2.801 20 1HD2 LEU 2 HD23 LEU 2 7.019 -14.597 6.569 21 2HD2 LEU 2 HD22 LEU 2 8.740 -14.326 6.295 22 3HD2 LEU 2 HD21 LEU 2 7.607 -12.978 6.186 23 H GLN 3 HN GLN 3 5.981 -15.111 1.676 24 HA GLN 3 HA GLN 3 8.498 -14.392 0.321 25 1HB GLN 3 HB2 GLN 3 7.590 -15.186 -1.897 26 2HB GLN 3 HB1 GLN 3 8.019 -16.488 -0.786 27 1HG GLN 3 HG2 GLN 3 5.216 -15.396 -0.812 28 2HG GLN 3 HG1 GLN 3 5.712 -16.588 -2.012 29 1HE2 GLN 3 HE22 GLN 3 6.059 -19.235 0.388 30 2HE2 GLN 3 HE21 GLN 3 6.607 -18.692 -1.124 31 H LYS 4 HN LYS 4 8.025 -12.798 -1.486 32 HA LYS 4 HA LYS 4 5.383 -11.576 -1.577 33 1HB LYS 4 HB2 LYS 4 6.473 -9.315 -0.756 34 2HB LYS 4 HB1 LYS 4 5.839 -10.466 0.421 35 1HG LYS 4 HG2 LYS 4 8.025 -9.830 1.188 36 2HG LYS 4 HG1 LYS 4 8.170 -11.464 0.538 37 1HD LYS 4 HD2 LYS 4 9.603 -10.788 -1.066 38 2HD LYS 4 HD1 LYS 4 8.550 -9.452 -1.533 39 1HE LYS 4 HE2 LYS 4 10.302 -8.210 -0.717 40 2HE LYS 4 HE1 LYS 4 9.453 -8.475 0.806 41 1HZ LYS 4 HZ2 LYS 4 10.905 -10.683 0.693 42 2HZ LYS 4 HZ1 LYS 4 11.935 -9.641 -0.166 43 3HZ LYS 4 HZ3 LYS 4 11.465 -9.251 1.416 44 H LYS 5 HN LYS 5 5.606 -9.387 -2.853 45 HA LYS 5 HA LYS 5 7.970 -9.317 -4.620 46 1HB LYS 5 HB2 LYS 5 6.027 -10.914 -5.485 47 2HB LYS 5 HB1 LYS 5 5.311 -9.384 -5.991 48 1HG LYS 5 HG2 LYS 5 7.286 -8.824 -7.288 49 2HG LYS 5 HG1 LYS 5 8.134 -10.248 -6.681 50 1HD LYS 5 HD2 LYS 5 5.498 -10.655 -8.034 51 2HD LYS 5 HD1 LYS 5 6.899 -10.287 -9.041 52 1HE LYS 5 HE2 LYS 5 7.487 -12.456 -8.893 53 2HE LYS 5 HE1 LYS 5 7.798 -12.196 -7.176 54 1HZ LYS 5 HZ2 LYS 5 5.124 -12.425 -7.235 55 2HZ LYS 5 HZ1 LYS 5 5.573 -13.503 -8.469 56 3HZ LYS 5 HZ3 LYS 5 6.190 -13.706 -6.903 57 H ILE 6 HN ILE 6 4.644 -8.030 -4.240 58 HA ILE 6 HA ILE 6 5.324 -5.444 -5.325 59 HB ILE 6 HB ILE 6 3.002 -6.510 -3.719 60 1HG1 ILE 6 HG12 ILE 6 3.325 -6.967 -6.210 61 2HG1 ILE 6 HG11 ILE 6 1.796 -6.207 -5.769 62 1HG2 ILE 6 HG22 ILE 6 3.713 -3.664 -4.351 63 2HG2 ILE 6 HG21 ILE 6 2.019 -4.152 -4.397 64 3HG2 ILE 6 HG23 ILE 6 2.947 -4.328 -2.908 65 1HD1 ILE 6 HD12 ILE 6 4.231 -4.636 -6.647 66 2HD1 ILE 6 HD11 ILE 6 2.968 -5.160 -7.760 67 3HD1 ILE 6 HD13 ILE 6 2.582 -4.040 -6.454 68 H GLU 7 HN GLU 7 6.182 -6.913 -2.433 69 HA GLU 7 HA GLU 7 5.930 -4.949 -0.452 70 1HB GLU 7 HB2 GLU 7 7.819 -7.165 -1.003 71 2HB GLU 7 HB1 GLU 7 8.407 -5.920 0.099 72 1HG GLU 7 HG2 GLU 7 5.679 -7.179 0.422 73 2HG GLU 7 HG1 GLU 7 7.123 -7.871 1.163 74 H GLU 8 HN GLU 8 9.215 -5.371 -1.658 75 HA GLU 8 HA GLU 8 9.748 -2.547 -1.397 76 1HB GLU 8 HB2 GLU 8 11.950 -3.057 -2.268 77 2HB GLU 8 HB1 GLU 8 11.479 -4.400 -1.226 78 1HG GLU 8 HG2 GLU 8 10.520 -5.429 -3.442 79 2HG GLU 8 HG1 GLU 8 11.625 -4.299 -4.225 80 H ILE 9 HN ILE 9 8.692 -4.578 -4.078 81 HA ILE 9 HA ILE 9 9.294 -2.820 -6.228 82 HB ILE 9 HB ILE 9 6.928 -4.647 -5.731 83 1HG1 ILE 9 HG12 ILE 9 9.156 -5.678 -6.137 84 2HG1 ILE 9 HG11 ILE 9 8.020 -6.028 -7.440 85 1HG2 ILE 9 HG22 ILE 9 7.332 -2.580 -7.795 86 2HG2 ILE 9 HG21 ILE 9 6.929 -4.175 -8.432 87 3HG2 ILE 9 HG23 ILE 9 5.847 -3.385 -7.285 88 1HD1 ILE 9 HD12 ILE 9 9.420 -3.539 -7.944 89 2HD1 ILE 9 HD11 ILE 9 10.563 -4.860 -7.699 90 3HD1 ILE 9 HD13 ILE 9 9.327 -4.984 -8.949 91 H ALA 10 HN ALA 10 7.029 -2.710 -3.613 92 HA ALA 10 HA ALA 10 5.660 -0.299 -4.647 93 1HB ALA 10 HB3 ALA 10 5.303 -2.055 -2.206 94 2HB ALA 10 HB2 ALA 10 4.470 -0.509 -2.369 95 3HB ALA 10 HB1 ALA 10 4.171 -1.799 -3.534 96 H ALA 11 HN ALA 11 8.117 -1.330 -2.395 97 HA ALA 11 HA ALA 11 8.292 0.951 -0.735 98 1HB ALA 11 HB1 ALA 11 10.513 -0.862 -1.679 99 2HB ALA 11 HB3 ALA 11 10.629 0.270 -0.333 100 3HB ALA 11 HB2 ALA 11 9.522 -1.098 -0.240 101 H LYS 12 HN LYS 12 9.440 0.379 -4.001 102 HA LYS 12 HA LYS 12 11.253 2.625 -4.108 103 1HB LYS 12 HB2 LYS 12 10.029 0.756 -6.093 104 2HB LYS 12 HB1 LYS 12 10.756 2.249 -6.690 105 1HG LYS 12 HG2 LYS 12 12.713 1.104 -6.629 106 2HG LYS 12 HG1 LYS 12 12.641 1.365 -4.885 107 1HD LYS 12 HD2 LYS 12 12.435 -0.848 -4.548 108 2HD LYS 12 HD1 LYS 12 10.969 -0.868 -5.528 109 1HE LYS 12 HE2 LYS 12 12.220 -2.236 -6.868 110 2HE LYS 12 HE1 LYS 12 12.832 -0.702 -7.487 111 1HZ LYS 12 HZ1 LYS 12 14.199 -1.498 -5.122 112 2HZ LYS 12 HZ3 LYS 12 14.303 -2.698 -6.315 113 3HZ LYS 12 HZ2 LYS 12 14.829 -1.118 -6.653 114 H TYR 13 HN TYR 13 7.871 2.520 -4.037 115 HA TYR 13 HA TYR 13 7.331 4.730 -5.831 116 1HB TYR 13 HB2 TYR 13 5.743 3.463 -3.567 117 2HB TYR 13 HB1 TYR 13 5.140 4.839 -4.470 118 HD1 TYR 13 HD1 TYR 13 7.105 1.913 -5.610 119 HD2 TYR 13 HD2 TYR 13 3.335 3.993 -5.877 120 HE1 TYR 13 HE1 TYR 13 6.395 0.383 -7.407 121 HE2 TYR 13 HE2 TYR 13 2.660 2.467 -7.683 122 HH TYR 13 HH TYR 13 3.229 0.105 -8.412 123 H LYS 14 HN LYS 14 8.871 6.287 -5.301 124 HA LYS 14 HA LYS 14 10.166 7.519 -3.578 125 1HB LYS 14 HB2 LYS 14 8.569 8.731 -5.372 126 2HB LYS 14 HB1 LYS 14 7.863 9.350 -3.881 127 1HG LYS 14 HG2 LYS 14 10.283 9.861 -3.156 128 2HG LYS 14 HG1 LYS 14 10.698 9.641 -4.855 129 1HD LYS 14 HD2 LYS 14 8.864 11.321 -5.398 130 2HD LYS 14 HD1 LYS 14 8.788 11.665 -3.670 131 1HE LYS 14 HE2 LYS 14 11.532 11.711 -4.397 132 2HE LYS 14 HE1 LYS 14 10.664 12.659 -5.606 133 1HZ LYS 14 HZ2 LYS 14 10.290 12.992 -2.683 134 2HZ LYS 14 HZ1 LYS 14 11.373 13.925 -3.603 135 3HZ LYS 14 HZ3 LYS 14 9.708 14.000 -3.921 136 H HIS 15 HN HIS 15 10.382 7.353 -1.455 137 HA HIS 15 HA HIS 15 8.412 6.679 0.424 138 1HB HIS 15 HB2 HIS 15 9.987 7.589 2.127 139 2HB HIS 15 HB1 HIS 15 10.797 6.568 0.942 140 HD1 HIS 15 HD1 HIS 15 12.204 8.903 2.568 141 HD2 HIS 15 HD2 HIS 15 10.827 9.182 -1.360 142 HE1 HIS 15 HE1 HIS 15 13.512 10.774 1.480 143 H SER 16 HN SER 16 9.033 9.772 -1.051 144 HA SER 16 HA SER 16 8.134 11.649 0.760 145 1HB SER 16 HB2 SER 16 8.708 12.236 -1.552 146 2HB SER 16 HB1 SER 16 7.270 11.405 -2.137 147 HG SER 16 HG SER 16 7.546 13.857 -0.872 148 H VAL 17 HN VAL 17 5.784 10.343 -1.558 149 HA VAL 17 HA VAL 17 3.910 9.792 0.682 150 HB VAL 17 HB VAL 17 2.097 10.878 -0.862 151 1HG1 VAL 17 HG12 VAL 17 2.992 11.668 1.409 152 2HG1 VAL 17 HG11 VAL 17 4.020 12.773 0.495 153 3HG1 VAL 17 HG13 VAL 17 2.265 12.900 0.378 154 1HG2 VAL 17 HG23 VAL 17 4.517 11.492 -2.292 155 2HG2 VAL 17 HG22 VAL 17 2.857 11.901 -2.721 156 3HG2 VAL 17 HG21 VAL 17 3.802 12.995 -1.711 157 H VAL 18 HN VAL 18 4.379 9.726 -2.842 158 HA VAL 18 HA VAL 18 2.589 7.816 -3.694 159 HB VAL 18 HB VAL 18 4.215 8.849 -5.190 160 1HG1 VAL 18 HG12 VAL 18 6.131 7.302 -3.456 161 2HG1 VAL 18 HG11 VAL 18 6.604 7.897 -5.043 162 3HG1 VAL 18 HG13 VAL 18 6.115 9.030 -3.783 163 1HG2 VAL 18 HG21 VAL 18 3.720 5.993 -5.074 164 2HG2 VAL 18 HG23 VAL 18 3.854 7.033 -6.490 165 3HG2 VAL 18 HG22 VAL 18 5.300 6.309 -5.787 166 H LYS 19 HN LYS 19 5.307 7.295 -1.530 167 HA LYS 19 HA LYS 19 5.476 4.438 -1.851 168 1HB LYS 19 HB2 LYS 19 7.347 5.347 -0.777 169 2HB LYS 19 HB1 LYS 19 6.376 6.419 0.221 170 1HG LYS 19 HG2 LYS 19 6.319 4.886 1.883 171 2HG LYS 19 HG1 LYS 19 5.728 3.643 0.783 172 1HD LYS 19 HD2 LYS 19 7.775 2.722 0.535 173 2HD LYS 19 HD1 LYS 19 8.557 4.293 0.369 174 1HE LYS 19 HE2 LYS 19 8.442 4.609 2.817 175 2HE LYS 19 HE1 LYS 19 7.668 3.032 2.979 176 1HZ LYS 19 HZ3 LYS 19 9.669 2.092 1.844 177 2HZ LYS 19 HZ2 LYS 19 10.409 3.612 2.009 178 3HZ LYS 19 HZ1 LYS 19 9.962 2.728 3.389 179 H LYS 20 HN LYS 20 4.522 5.849 1.259 180 HA LYS 20 HA LYS 20 2.935 3.775 2.159 181 1HB LYS 20 HB2 LYS 20 3.332 6.488 2.894 182 2HB LYS 20 HB1 LYS 20 1.588 6.229 2.840 183 1HG LYS 20 HG2 LYS 20 2.467 3.934 4.077 184 2HG LYS 20 HG1 LYS 20 3.585 5.144 4.708 185 1HD LYS 20 HD2 LYS 20 1.806 5.298 6.219 186 2HD LYS 20 HD1 LYS 20 1.415 6.573 5.063 187 1HE LYS 20 HE2 LYS 20 -0.604 5.527 4.950 188 2HE LYS 20 HE1 LYS 20 0.239 4.415 3.871 189 1HZ LYS 20 HZ2 LYS 20 0.779 3.041 5.804 190 2HZ LYS 20 HZ1 LYS 20 -0.106 4.092 6.804 191 3HZ LYS 20 HZ3 LYS 20 -0.900 3.202 5.598 192 H CYS 21 HN CYS 21 2.178 6.032 -0.360 193 HA CYS 21 HA CYS 21 -0.694 5.699 -0.484 194 1HB CYS 21 HB2 CYS 21 1.356 6.287 -2.620 195 2HB CYS 21 HB1 CYS 21 -0.384 6.400 -2.780 196 H CYS 22 HN CYS 22 1.887 4.336 -2.542 197 HA CYS 22 HA CYS 22 0.293 2.500 -3.918 198 1HB CYS 22 HB2 CYS 22 2.281 2.674 -4.900 199 2HB CYS 22 HB1 CYS 22 3.174 2.837 -3.396 200 H TYR 23 HN TYR 23 2.139 2.151 -0.908 201 HA TYR 23 HA TYR 23 1.445 -0.565 -0.382 202 1HB TYR 23 HB2 TYR 23 2.098 1.759 1.446 203 2HB TYR 23 HB1 TYR 23 1.737 0.149 2.069 204 HD1 TYR 23 HD2 TYR 23 3.966 2.002 -0.250 205 HD2 TYR 23 HD1 TYR 23 3.390 -1.554 2.071 206 HE1 TYR 23 HE2 TYR 23 6.302 1.330 -0.717 207 HE2 TYR 23 HE1 TYR 23 5.729 -2.241 1.598 208 HH TYR 23 HH TYR 23 7.923 -0.978 0.990 209 H ASP 24 HN ASP 24 -0.164 2.512 0.095 210 HA ASP 24 HA ASP 24 -2.335 1.700 1.724 211 1HB ASP 24 HB2 ASP 24 -1.701 4.012 0.008 212 2HB ASP 24 HB1 ASP 24 -3.415 3.570 -0.058 213 H GLY 25 HN GLY 25 -1.951 1.694 -1.791 214 1HA GLY 25 HA2 GLY 25 -4.523 0.741 -2.503 215 2HA GLY 25 HA1 GLY 25 -3.060 0.524 -3.462 216 H ALA 26 HN ALA 26 -1.465 -1.117 -2.169 217 HA ALA 26 HA ALA 26 -2.988 -3.634 -2.167 218 1HB ALA 26 HB1 ALA 26 -0.046 -3.003 -1.869 219 2HB ALA 26 HB3 ALA 26 -0.691 -4.644 -1.819 220 3HB ALA 26 HB2 ALA 26 -0.865 -3.671 -3.280 221 H SER 27 HN SER 27 -2.643 -1.423 0.233 222 HA SER 27 HA SER 27 -2.068 -3.413 2.344 223 1HB SER 27 HB2 SER 27 -2.147 -0.447 2.291 224 2HB SER 27 HB1 SER 27 -2.220 -1.307 3.810 225 HG SER 27 HG SER 27 -0.262 -2.308 3.262 226 H VAL 28 HN VAL 28 -4.486 -0.855 1.729 227 HA VAL 28 HA VAL 28 -6.213 -1.723 3.839 228 HB VAL 28 HB VAL 28 -7.513 -0.524 1.445 229 1HG1 VAL 28 HG12 VAL 28 -7.549 -0.291 4.435 230 2HG1 VAL 28 HG11 VAL 28 -8.142 1.062 3.474 231 3HG1 VAL 28 HG13 VAL 28 -8.893 -0.524 3.322 232 1HG2 VAL 28 HG21 VAL 28 -5.078 0.580 2.732 233 2HG2 VAL 28 HG23 VAL 28 -5.771 0.933 1.150 234 3HG2 VAL 28 HG22 VAL 28 -6.429 1.703 2.592 235 H ASN 29 HN ASN 29 -8.683 -2.317 2.965 236 HA ASN 29 HA ASN 29 -8.770 -5.029 2.533 237 1HB ASN 29 HB2 ASN 29 -10.654 -2.952 2.453 238 2HB ASN 29 HB1 ASN 29 -10.836 -3.788 0.914 239 1HD2 ASN 29 HD22 ASN 29 -12.371 -6.605 2.361 240 2HD2 ASN 29 HD21 ASN 29 -11.933 -5.778 0.945 241 H ASN 30 HN ASN 30 -9.418 -6.253 0.520 242 HA ASN 30 HA ASN 30 -7.471 -6.269 -1.438 243 1HB ASN 30 HB2 ASN 30 -9.226 -7.302 -2.952 244 2HB ASN 30 HB1 ASN 30 -9.086 -8.053 -1.361 245 1HD2 ASN 30 HD22 ASN 30 -12.569 -7.618 -0.991 246 2HD2 ASN 30 HD21 ASN 30 -11.262 -8.701 -1.019 247 H ASP 31 HN ASP 31 -10.141 -4.019 -1.148 248 HA ASP 31 HA ASP 31 -8.944 -2.391 -3.276 249 1HB ASP 31 HB2 ASP 31 -11.114 -2.214 -4.526 250 2HB ASP 31 HB1 ASP 31 -10.377 -3.814 -4.619 251 H GLU 32 HN GLU 32 -9.862 -2.338 -0.290 252 HA GLU 32 HA GLU 32 -11.984 -0.573 0.111 253 1HB GLU 32 HB2 GLU 32 -10.982 -1.252 2.099 254 2HB GLU 32 HB1 GLU 32 -9.352 -0.912 1.522 255 1HG GLU 32 HG2 GLU 32 -9.457 1.272 2.172 256 2HG GLU 32 HG1 GLU 32 -11.138 1.440 1.667 257 H THR 33 HN THR 33 -8.781 0.871 0.450 258 HA THR 33 HA THR 33 -9.644 3.393 -0.615 259 HB THR 33 HB THR 33 -6.770 2.514 -0.570 260 HG1 THR 33 HG1 THR 33 -6.907 3.265 1.686 261 1HG2 THR 33 HG23 THR 33 -8.093 4.921 -1.065 262 2HG2 THR 33 HG22 THR 33 -7.466 5.086 0.575 263 3HG2 THR 33 HG21 THR 33 -6.368 4.716 -0.756 264 H CYS 34 HN CYS 34 -7.816 0.680 -1.992 265 HA CYS 34 HA CYS 34 -6.922 1.494 -4.446 266 1HB CYS 34 HB2 CYS 34 -7.237 -0.897 -3.519 267 2HB CYS 34 HB1 CYS 34 -8.828 -0.837 -4.275 268 H GLU 35 HN GLU 35 -10.291 1.220 -3.470 269 HA GLU 35 HA GLU 35 -11.257 1.928 -6.170 270 1HB GLU 35 HB2 GLU 35 -12.398 0.248 -4.627 271 2HB GLU 35 HB1 GLU 35 -12.920 1.631 -3.666 272 1HG GLU 35 HG2 GLU 35 -13.826 2.597 -5.879 273 2HG GLU 35 HG1 GLU 35 -13.630 0.966 -6.522 274 H GLN 36 HN GLN 36 -12.239 3.241 -2.992 275 HA GLN 36 HA GLN 36 -13.298 5.641 -3.771 276 1HB GLN 36 HB2 GLN 36 -11.652 4.883 -1.388 277 2HB GLN 36 HB1 GLN 36 -12.081 6.579 -1.615 278 1HG GLN 36 HG2 GLN 36 -14.325 6.202 -1.281 279 2HG GLN 36 HG1 GLN 36 -14.259 4.574 -1.958 280 1HE2 GLN 36 HE22 GLN 36 -13.953 3.071 1.202 281 2HE2 GLN 36 HE21 GLN 36 -14.334 2.908 -0.444 282 H ARG 37 HN ARG 37 -9.911 4.802 -3.885 283 HA ARG 37 HA ARG 37 -9.217 7.582 -4.633 284 1HB ARG 37 HB2 ARG 37 -7.623 5.182 -3.789 285 2HB ARG 37 HB1 ARG 37 -6.836 6.548 -4.568 286 1HG ARG 37 HG2 ARG 37 -8.382 6.526 -1.967 287 2HG ARG 37 HG1 ARG 37 -6.684 6.931 -2.204 288 1HD ARG 37 HD2 ARG 37 -7.829 8.741 -3.863 289 2HD ARG 37 HD1 ARG 37 -9.108 8.580 -2.661 290 HE ARG 37 HE ARG 37 -6.782 8.891 -1.163 291 1HH1 ARG 37 HH21 ARG 37 -8.400 10.592 -3.696 292 2HH1 ARG 37 HH22 ARG 37 -7.833 12.146 -3.189 293 1HH2 ARG 37 HH12 ARG 37 -6.037 10.912 -0.493 294 2HH2 ARG 37 HH11 ARG 37 -6.497 12.329 -1.378 295 H ALA 38 HN ALA 38 -8.997 4.225 -5.953 296 HA ALA 38 HA ALA 38 -7.871 5.254 -8.451 297 1HB ALA 38 HB2 ALA 38 -7.543 2.891 -7.494 298 2HB ALA 38 HB1 ALA 38 -9.161 2.548 -8.104 299 3HB ALA 38 HB3 ALA 38 -7.877 3.013 -9.221 300 H ALA 39 HN ALA 39 -10.835 5.690 -7.211 301 HA ALA 39 HA ALA 39 -12.093 5.651 -9.920 302 1HB ALA 39 HB1 ALA 39 -13.007 4.393 -7.414 303 2HB ALA 39 HB3 ALA 39 -14.234 5.364 -8.227 304 3HB ALA 39 HB2 ALA 39 -13.454 4.032 -9.081 305 H ARG 40 HN ARG 40 -12.917 6.821 -6.632 306 HA ARG 40 HA ARG 40 -13.986 9.304 -7.752 307 1HB ARG 40 HB2 ARG 40 -13.732 8.113 -5.009 308 2HB ARG 40 HB1 ARG 40 -14.032 9.846 -5.164 309 1HG ARG 40 HG2 ARG 40 -16.011 9.390 -6.557 310 2HG ARG 40 HG1 ARG 40 -15.709 7.657 -6.427 311 1HD ARG 40 HD2 ARG 40 -15.850 7.949 -3.899 312 2HD ARG 40 HD1 ARG 40 -16.464 9.572 -4.211 313 HE ARG 40 HE ARG 40 -18.091 7.942 -5.751 314 1HH1 ARG 40 HH21 ARG 40 -17.092 8.073 -2.447 315 2HH1 ARG 40 HH22 ARG 40 -18.562 7.388 -1.841 316 1HH2 ARG 40 HH12 ARG 40 -20.012 7.048 -4.971 317 2HH2 ARG 40 HH11 ARG 40 -20.213 6.809 -3.267 318 H ILE 41 HN ILE 41 -12.015 10.111 -8.775 319 HA ILE 41 HA ILE 41 -9.985 11.114 -6.819 320 HB ILE 41 HB ILE 41 -9.774 10.486 -9.774 321 1HG1 ILE 41 HG12 ILE 41 -8.046 9.496 -7.510 322 2HG1 ILE 41 HG11 ILE 41 -9.576 8.706 -7.898 323 1HG2 ILE 41 HG23 ILE 41 -8.174 12.253 -8.016 324 2HG2 ILE 41 HG22 ILE 41 -7.254 11.132 -9.020 325 3HG2 ILE 41 HG21 ILE 41 -8.361 12.285 -9.769 326 1HD1 ILE 41 HD12 ILE 41 -7.785 9.260 -10.199 327 2HD1 ILE 41 HD11 ILE 41 -7.229 8.026 -9.068 328 3HD1 ILE 41 HD13 ILE 41 -8.791 7.849 -9.868 329 H SER 42 HN SER 42 -11.251 13.019 -6.312 330 HA SER 42 HA SER 42 -12.455 14.806 -8.086 331 1HB SER 42 HB2 SER 42 -11.273 14.992 -5.404 332 2HB SER 42 HB1 SER 42 -11.218 16.510 -6.295 333 HG SER 42 HG SER 42 -13.221 15.781 -5.012 334 H LEU 43 HN LEU 43 -9.134 15.298 -6.836 335 HA LEU 43 HA LEU 43 -8.457 16.478 -9.501 336 1HB LEU 43 HB2 LEU 43 -6.574 17.581 -7.980 337 2HB LEU 43 HB1 LEU 43 -8.181 18.299 -8.091 338 HG LEU 43 HG LEU 43 -8.852 17.007 -6.059 339 1HD1 LEU 43 HD12 LEU 43 -6.160 15.898 -6.506 340 2HD1 LEU 43 HD11 LEU 43 -6.475 16.363 -4.835 341 3HD1 LEU 43 HD13 LEU 43 -7.533 15.206 -5.642 342 1HD2 LEU 43 HD22 LEU 43 -6.891 19.178 -6.206 343 2HD2 LEU 43 HD21 LEU 43 -8.321 19.027 -5.183 344 3HD2 LEU 43 HD23 LEU 43 -6.798 18.287 -4.687 345 H GLY 44 HN GLY 44 -7.812 14.005 -7.253 346 1HA GLY 44 HA2 GLY 44 -6.369 12.153 -7.520 347 2HA GLY 44 HA1 GLY 44 -5.692 12.924 -8.954 348 HA PRO 45 HA PRO 45 -3.654 14.862 -4.806 349 1HB PRO 45 HB2 PRO 45 -3.503 12.424 -3.257 350 2HB PRO 45 HB1 PRO 45 -4.183 13.986 -2.793 351 1HG PRO 45 HG2 PRO 45 -5.589 11.594 -3.422 352 2HG PRO 45 HG1 PRO 45 -6.267 13.177 -3.029 353 1HD PRO 45 HD2 PRO 45 -6.330 11.845 -5.537 354 2HD PRO 45 HD1 PRO 45 -6.895 13.480 -5.172 355 H ARG 46 HN ARG 46 -3.050 11.343 -4.831 356 HA ARG 46 HA ARG 46 -0.902 11.370 -6.694 357 1HB ARG 46 HB2 ARG 46 -0.037 12.843 -4.703 358 2HB ARG 46 HB1 ARG 46 0.184 11.293 -3.891 359 1HG ARG 46 HG2 ARG 46 2.258 11.732 -4.974 360 2HG ARG 46 HG1 ARG 46 1.444 10.544 -5.993 361 1HD ARG 46 HD2 ARG 46 0.684 12.293 -7.507 362 2HD ARG 46 HD1 ARG 46 1.354 13.538 -6.454 363 HE ARG 46 HE ARG 46 3.532 11.933 -7.040 364 1HH1 ARG 46 HH21 ARG 46 1.098 13.598 -8.840 365 2HH1 ARG 46 HH22 ARG 46 2.122 13.883 -10.207 366 1HH2 ARG 46 HH12 ARG 46 4.875 12.301 -8.816 367 2HH2 ARG 46 HH11 ARG 46 4.259 13.150 -10.193 368 H CYS 47 HN CYS 47 -1.928 9.993 -3.552 369 HA CYS 47 HA CYS 47 -0.771 7.440 -4.005 370 1HB CYS 47 HB2 CYS 47 -3.326 7.813 -2.434 371 2HB CYS 47 HB1 CYS 47 -2.095 6.608 -2.183 372 H ILE 48 HN ILE 48 -3.793 8.835 -5.141 373 HA ILE 48 HA ILE 48 -4.911 6.323 -5.874 374 HB ILE 48 HB ILE 48 -6.570 7.512 -6.985 375 1HG1 ILE 48 HG12 ILE 48 -4.907 8.549 -8.646 376 2HG1 ILE 48 HG11 ILE 48 -6.321 9.513 -8.248 377 1HG2 ILE 48 HG23 ILE 48 -6.177 8.305 -4.605 378 2HG2 ILE 48 HG22 ILE 48 -5.421 9.737 -5.301 379 3HG2 ILE 48 HG21 ILE 48 -7.117 9.389 -5.630 380 1HD1 ILE 48 HD11 ILE 48 -3.751 9.829 -6.706 381 2HD1 ILE 48 HD13 ILE 48 -4.031 10.702 -8.211 382 3HD1 ILE 48 HD12 ILE 48 -5.103 10.952 -6.834 383 H LYS 49 HN LYS 49 -2.925 8.607 -7.844 384 HA LYS 49 HA LYS 49 -2.909 6.849 -10.130 385 1HB LYS 49 HB2 LYS 49 -1.424 9.274 -9.269 386 2HB LYS 49 HB1 LYS 49 -0.616 8.246 -10.453 387 1HG LYS 49 HG2 LYS 49 -3.500 8.848 -10.913 388 2HG LYS 49 HG1 LYS 49 -2.348 10.155 -11.189 389 1HD LYS 49 HD2 LYS 49 -1.229 7.808 -12.336 390 2HD LYS 49 HD1 LYS 49 -2.910 7.889 -12.863 391 1HE LYS 49 HE2 LYS 49 -1.477 10.469 -12.928 392 2HE LYS 49 HE1 LYS 49 -0.867 9.259 -14.057 393 1HZ LYS 49 HZ2 LYS 49 -3.178 8.928 -14.810 394 2HZ LYS 49 HZ1 LYS 49 -3.665 10.220 -13.819 395 3HZ LYS 49 HZ3 LYS 49 -2.601 10.498 -15.110 396 H ALA 50 HN ALA 50 -0.234 7.596 -7.863 397 HA ALA 50 HA ALA 50 1.538 5.546 -8.609 398 1HB ALA 50 HB1 ALA 50 2.047 7.255 -6.861 399 2HB ALA 50 HB3 ALA 50 0.933 6.428 -5.771 400 3HB ALA 50 HB2 ALA 50 2.399 5.615 -6.315 401 H PHE 51 HN PHE 51 -0.734 5.469 -5.949 402 HA PHE 51 HA PHE 51 -0.391 2.693 -5.577 403 1HB PHE 51 HB2 PHE 51 -1.332 3.141 -3.649 404 2HB PHE 51 HB1 PHE 51 -1.422 4.803 -4.113 405 HD1 PHE 51 HD1 PHE 51 -3.693 4.428 -6.202 406 HD2 PHE 51 HD2 PHE 51 -3.161 3.055 -2.201 407 HE1 PHE 51 HE1 PHE 51 -6.140 4.224 -5.945 408 HE2 PHE 51 HE2 PHE 51 -5.603 2.866 -1.937 409 HZ PHE 51 HZ PHE 51 -7.099 3.446 -3.814 410 H THR 52 HN THR 52 -2.264 4.301 -7.937 411 HA THR 52 HA THR 52 -4.436 2.344 -8.037 412 HB THR 52 HB THR 52 -3.548 4.623 -9.776 413 HG1 THR 52 HG1 THR 52 -5.981 3.667 -8.690 414 1HG2 THR 52 HG23 THR 52 -5.069 2.209 -10.743 415 2HG2 THR 52 HG22 THR 52 -5.389 3.803 -11.426 416 3HG2 THR 52 HG21 THR 52 -3.778 3.097 -11.551 417 H GLU 53 HN GLU 53 -1.470 2.976 -9.925 418 HA GLU 53 HA GLU 53 -1.767 0.485 -11.423 419 1HB GLU 53 HB2 GLU 53 0.928 1.710 -11.025 420 2HB GLU 53 HB1 GLU 53 0.190 1.086 -12.497 421 1HG GLU 53 HG2 GLU 53 -1.451 3.221 -11.818 422 2HG GLU 53 HG1 GLU 53 0.163 3.805 -11.413 423 H CYS 54 HN CYS 54 -0.186 1.491 -8.448 424 HA CYS 54 HA CYS 54 1.260 -0.983 -8.040 425 1HB CYS 54 HB2 CYS 54 2.107 0.848 -6.873 426 2HB CYS 54 HB1 CYS 54 0.518 1.381 -6.324 427 H CYS 55 HN CYS 55 -1.990 0.115 -7.224 428 HA CYS 55 HA CYS 55 -2.475 -2.159 -5.452 429 1HB CYS 55 HB2 CYS 55 -3.780 -0.169 -4.998 430 2HB CYS 55 HB1 CYS 55 -4.384 -0.107 -6.651 431 H VAL 56 HN VAL 56 -3.852 -1.157 -8.607 432 HA VAL 56 HA VAL 56 -5.175 -3.504 -9.279 433 HB VAL 56 HB VAL 56 -4.651 -2.951 -11.666 434 1HG1 VAL 56 HG13 VAL 56 -5.412 -0.660 -9.832 435 2HG1 VAL 56 HG12 VAL 56 -5.629 -0.636 -11.582 436 3HG1 VAL 56 HG11 VAL 56 -6.507 -1.809 -10.601 437 1HG2 VAL 56 HG21 VAL 56 -2.645 -1.214 -10.280 438 2HG2 VAL 56 HG23 VAL 56 -2.487 -2.130 -11.779 439 3HG2 VAL 56 HG22 VAL 56 -3.385 -0.611 -11.763 440 H VAL 57 HN VAL 57 -1.693 -2.781 -9.907 441 HA VAL 57 HA VAL 57 -1.085 -5.370 -10.941 442 HB VAL 57 HB VAL 57 0.535 -3.564 -11.112 443 1HG1 VAL 57 HG11 VAL 57 -0.212 -2.778 -8.683 444 2HG1 VAL 57 HG13 VAL 57 1.194 -3.727 -8.202 445 3HG1 VAL 57 HG12 VAL 57 1.379 -2.374 -9.319 446 1HG2 VAL 57 HG21 VAL 57 1.284 -6.004 -10.865 447 2HG2 VAL 57 HG23 VAL 57 2.511 -4.779 -10.539 448 3HG2 VAL 57 HG22 VAL 57 1.704 -5.597 -9.201 449 H ALA 58 HN ALA 58 -0.828 -4.130 -7.582 450 HA ALA 58 HA ALA 58 0.012 -6.515 -6.343 451 1HB ALA 58 HB2 ALA 58 -1.742 -4.249 -5.386 452 2HB ALA 58 HB1 ALA 58 -1.323 -5.601 -4.335 453 3HB ALA 58 HB3 ALA 58 -0.054 -4.565 -4.988 454 H SER 59 HN SER 59 -3.328 -5.425 -5.901 455 HA SER 59 HA SER 59 -4.541 -7.820 -5.289 456 1HB SER 59 HB2 SER 59 -6.095 -6.347 -7.298 457 2HB SER 59 HB1 SER 59 -6.486 -6.699 -5.617 458 HG SER 59 HG SER 59 -6.005 -4.683 -5.283 459 H GLN 60 HN GLN 60 -4.605 -6.558 -8.603 460 HA GLN 60 HA GLN 60 -5.569 -8.566 -10.084 461 1HB GLN 60 HB2 GLN 60 -4.625 -6.620 -11.168 462 2HB GLN 60 HB1 GLN 60 -2.994 -7.093 -10.690 463 1HG GLN 60 HG2 GLN 60 -2.881 -8.805 -12.244 464 2HG GLN 60 HG1 GLN 60 -4.629 -9.042 -12.265 465 1HE2 GLN 60 HE22 GLN 60 -2.954 -6.636 -15.013 466 2HE2 GLN 60 HE21 GLN 60 -2.044 -7.638 -13.987 467 H LEU 61 HN LEU 61 -2.062 -8.636 -9.188 468 HA LEU 61 HA LEU 61 -1.840 -11.365 -10.131 469 1HB LEU 61 HB2 LEU 61 0.010 -10.393 -8.012 470 2HB LEU 61 HB1 LEU 61 0.336 -11.385 -9.419 471 HG LEU 61 HG LEU 61 0.396 -8.483 -9.104 472 1HD1 LEU 61 HD11 LEU 61 1.736 -10.535 -10.854 473 2HD1 LEU 61 HD13 LEU 61 2.058 -8.807 -10.993 474 3HD1 LEU 61 HD12 LEU 61 2.430 -9.656 -9.492 475 1HD2 LEU 61 HD21 LEU 61 -1.170 -9.756 -11.270 476 2HD2 LEU 61 HD23 LEU 61 -1.186 -8.080 -10.719 477 3HD2 LEU 61 HD22 LEU 61 0.065 -8.631 -11.831 478 H ARG 62 HN ARG 62 -1.823 -10.041 -6.814 479 HA ARG 62 HA ARG 62 -1.774 -12.211 -5.233 480 1HB ARG 62 HB2 ARG 62 -3.172 -9.685 -5.074 481 2HB ARG 62 HB1 ARG 62 -4.141 -10.954 -4.326 482 1HG ARG 62 HG2 ARG 62 -2.772 -11.006 -2.542 483 2HG ARG 62 HG1 ARG 62 -1.379 -11.300 -3.584 484 1HD ARG 62 HD2 ARG 62 -2.090 -8.586 -3.938 485 2HD ARG 62 HD1 ARG 62 -2.118 -8.879 -2.201 486 HE ARG 62 HE ARG 62 0.225 -8.567 -3.752 487 1HH1 ARG 62 HH21 ARG 62 -1.097 -10.798 -1.450 488 2HH1 ARG 62 HH22 ARG 62 0.435 -11.515 -1.093 489 1HH2 ARG 62 HH12 ARG 62 2.212 -9.482 -3.259 490 2HH2 ARG 62 HH11 ARG 62 2.302 -10.769 -2.102 491 H ALA 63 HN ALA 63 -4.547 -11.420 -7.311 492 HA ALA 63 HA ALA 63 -6.227 -13.580 -6.457 493 1HB ALA 63 HB3 ALA 63 -6.230 -11.621 -8.551 494 2HB ALA 63 HB2 ALA 63 -6.499 -13.202 -9.284 495 3HB ALA 63 HB1 ALA 63 -7.572 -12.628 -8.008 496 H ASN 64 HN ASN 64 -4.112 -13.360 -9.334 497 HA ASN 64 HA ASN 64 -3.395 -16.229 -8.923 498 1HB ASN 64 HB2 ASN 64 -5.110 -15.402 -10.922 499 2HB ASN 64 HB1 ASN 64 -3.547 -15.399 -11.740 500 1HD2 ASN 64 HD22 ASN 64 -5.193 -18.942 -10.529 501 2HD2 ASN 64 HD21 ASN 64 -5.872 -17.472 -10.023 502 H ILE 65 HN ILE 65 -1.608 -14.550 -7.972 503 HA ILE 65 HA ILE 65 0.129 -13.166 -9.731 504 HB ILE 65 HB ILE 65 1.610 -14.559 -7.605 505 1HG1 ILE 65 HG12 ILE 65 -0.892 -12.997 -6.956 506 2HG1 ILE 65 HG11 ILE 65 -0.471 -14.618 -6.411 507 1HG2 ILE 65 HG22 ILE 65 1.842 -12.203 -8.980 508 2HG2 ILE 65 HG21 ILE 65 1.107 -11.641 -7.480 509 3HG2 ILE 65 HG23 ILE 65 2.632 -12.514 -7.438 510 1HD1 ILE 65 HD11 ILE 65 1.447 -13.680 -5.148 511 2HD1 ILE 65 HD13 ILE 65 0.977 -12.059 -5.661 512 3HD1 ILE 65 HD12 ILE 65 -0.086 -12.994 -4.608 513 H SER 66 HN SER 66 0.427 -14.336 -11.647 514 HA SER 66 HA SER 66 2.491 -16.442 -11.471 515 1HB SER 66 HB2 SER 66 -0.221 -16.866 -12.755 516 2HB SER 66 HB1 SER 66 1.171 -17.904 -13.049 517 HG SER 66 HG SER 66 0.174 -18.850 -11.370 518 H HIS 67 HN HIS 67 0.428 -14.389 -13.507 519 HA HIS 67 HA HIS 67 2.214 -14.641 -15.812 520 1HB HIS 67 HB2 HIS 67 -0.299 -13.144 -15.179 521 2HB HIS 67 HB1 HIS 67 0.705 -12.563 -16.508 522 HD1 HIS 67 HD1 HIS 67 -0.337 -13.437 -18.603 523 HD2 HIS 67 HD2 HIS 67 -0.232 -16.339 -15.612 524 HE1 HIS 67 HE1 HIS 67 -1.202 -15.574 -19.649 525 H LYS 68 HN LYS 68 2.498 -12.074 -16.742 526 HA LYS 68 HA LYS 68 4.737 -11.103 -15.244 527 1HB LYS 68 HB2 LYS 68 3.637 -10.621 -17.762 528 2HB LYS 68 HB1 LYS 68 3.477 -9.077 -16.925 529 1HG LYS 68 HG2 LYS 68 5.750 -8.781 -16.736 530 2HG LYS 68 HG1 LYS 68 6.072 -10.513 -16.633 531 1HD LYS 68 HD2 LYS 68 6.905 -9.843 -18.764 532 2HD LYS 68 HD1 LYS 68 5.367 -10.643 -19.091 533 1HE LYS 68 HE2 LYS 68 5.030 -8.727 -20.322 534 2HE LYS 68 HE1 LYS 68 4.450 -8.147 -18.761 535 1HZ LYS 68 HZ2 LYS 68 7.194 -7.816 -18.749 536 2HZ LYS 68 HZ1 LYS 68 6.672 -7.264 -20.268 537 3HZ LYS 68 HZ3 LYS 68 6.013 -6.600 -18.854 538 H ASP 69 HN ASP 69 4.413 -8.348 -15.062 539 HA ASP 69 HA ASP 69 2.148 -8.032 -13.136 540 1HB ASP 69 HB2 ASP 69 3.583 -6.830 -11.612 541 2HB ASP 69 HB1 ASP 69 4.382 -8.356 -11.993 542 H MET 70 HN MET 70 2.939 -5.281 -12.554 543 HA MET 70 HA MET 70 2.841 -3.938 -15.188 544 1HB MET 70 HB2 MET 70 0.461 -4.534 -14.068 545 2HB MET 70 HB1 MET 70 0.790 -3.013 -13.239 546 1HG MET 70 HG2 MET 70 -0.374 -2.405 -15.226 547 2HG MET 70 HG1 MET 70 1.322 -2.040 -15.547 548 1HE MET 70 HE3 MET 70 -0.414 -1.945 -17.634 549 2HE MET 70 HE2 MET 70 1.151 -2.258 -18.381 550 3HE MET 70 HE1 MET 70 -0.261 -3.179 -18.892 551 H CYS 71 HN CYS 71 2.017 -2.835 -11.887 552 HA CYS 71 HA CYS 71 4.390 -1.025 -12.052 553 1HB CYS 71 HB2 CYS 71 1.564 -0.567 -11.187 554 2HB CYS 71 HB1 CYS 71 2.834 0.329 -10.347 555 1H CYS 72 HN3 CYS 72 3.466 5.058 -11.510 556 2H CYS 72 HN2 CYS 72 1.976 4.282 -11.766 557 3H CYS 72 HN1 CYS 72 2.052 5.691 -10.819 558 HA CYS 72 HA CYS 72 1.852 3.884 -9.318 559 1HB CYS 72 HB2 CYS 72 4.100 2.348 -9.595 560 2HB CYS 72 HB1 CYS 72 2.462 1.899 -10.040 561 H LEU 73 HN LEU 73 5.288 3.723 -9.982 562 HA LEU 73 HA LEU 73 6.023 4.570 -7.392 563 1HB LEU 73 HB2 LEU 73 8.285 4.603 -8.196 564 2HB LEU 73 HB1 LEU 73 7.459 3.302 -9.057 565 HG LEU 73 HG LEU 73 6.935 5.398 -10.712 566 1HD1 LEU 73 HD11 LEU 73 9.443 5.991 -9.180 567 2HD1 LEU 73 HD13 LEU 73 9.391 6.381 -10.900 568 3HD1 LEU 73 HD12 LEU 73 8.219 7.102 -9.796 569 1HD2 LEU 73 HD21 LEU 73 8.203 3.025 -10.906 570 2HD2 LEU 73 HD23 LEU 73 8.238 4.223 -12.200 571 3HD2 LEU 73 HD22 LEU 73 9.591 4.099 -11.076 572 H GLY 74 HN GLY 74 7.141 6.582 -6.769 573 1HA GLY 74 HA2 GLY 74 6.060 8.928 -8.271 574 2HA GLY 74 HA1 GLY 74 6.457 8.941 -6.552 575 1HN DAR 75 HN ARG 75 7.496 10.670 -8.758 576 HA DAR 75 HA ARG 75 10.133 9.982 -9.514 577 1HB DAR 75 HB1 ARG 75 10.594 9.840 -7.100 578 2HB DAR 75 HB2 ARG 75 9.984 11.480 -6.880 579 1HG DAR 75 HG1 ARG 75 11.765 12.383 -8.261 580 2HG DAR 75 HG2 ARG 75 12.314 10.762 -8.683 581 1HD DAR 75 HD1 ARG 75 12.274 10.745 -5.894 582 2HD DAR 75 HD2 ARG 75 12.876 12.350 -6.300 583 HNE DAR 75 HE ARG 75 14.900 11.322 -6.784 584 1HH1 DAR 75 HH11 ARG 75 16.213 9.876 -7.884 585 2HH1 DAR 75 HH12 ARG 75 15.520 8.457 -8.596 586 1HH2 DAR 75 HH21 ARG 75 12.298 9.166 -7.557 587 2HH2 DAR 75 HH22 ARG 75 13.314 8.064 -8.419 No H/Q in entry = 587 Start of MODEL 3 1 1H MET 1 HN3 MET 1 7.501 -17.289 -7.059 2 2H MET 1 HN2 MET 1 6.156 -18.237 -7.481 3 3H MET 1 HN1 MET 1 6.172 -17.388 -6.010 4 HA MET 1 HA MET 1 6.603 -19.674 -5.539 5 1HB MET 1 HB2 MET 1 8.453 -20.855 -6.592 6 2HB MET 1 HB1 MET 1 7.402 -20.209 -7.853 7 1HG MET 1 HG2 MET 1 9.278 -19.286 -8.721 8 2HG MET 1 HG1 MET 1 9.167 -18.125 -7.398 9 1HE MET 1 HE1 MET 1 11.551 -18.697 -8.951 10 2HE MET 1 HE3 MET 1 12.026 -17.810 -7.494 11 3HE MET 1 HE2 MET 1 12.913 -19.253 -7.980 12 H LEU 2 HN LEU 2 7.672 -16.754 -5.034 13 HA LEU 2 HA LEU 2 9.873 -17.639 -3.212 14 1HB LEU 2 HB2 LEU 2 10.869 -15.374 -3.524 15 2HB LEU 2 HB1 LEU 2 10.823 -16.301 -5.024 16 HG LEU 2 HG LEU 2 8.390 -14.724 -4.537 17 1HD1 LEU 2 HD13 LEU 2 10.548 -13.383 -3.696 18 2HD1 LEU 2 HD12 LEU 2 10.732 -13.100 -5.427 19 3HD1 LEU 2 HD11 LEU 2 9.261 -12.588 -4.602 20 1HD2 LEU 2 HD21 LEU 2 10.307 -15.317 -6.777 21 2HD2 LEU 2 HD23 LEU 2 8.578 -15.649 -6.680 22 3HD2 LEU 2 HD22 LEU 2 9.145 -14.001 -6.947 23 H GLN 3 HN GLN 3 10.166 -15.351 -1.725 24 HA GLN 3 HA GLN 3 7.747 -15.410 -0.091 25 1HB GLN 3 HB2 GLN 3 8.992 -14.021 1.454 26 2HB GLN 3 HB1 GLN 3 10.083 -15.266 0.846 27 1HG GLN 3 HG2 GLN 3 10.144 -13.001 -0.931 28 2HG GLN 3 HG1 GLN 3 10.437 -12.456 0.721 29 1HE2 GLN 3 HE22 GLN 3 13.809 -13.407 0.146 30 2HE2 GLN 3 HE21 GLN 3 12.736 -12.111 0.375 31 H LYS 4 HN LYS 4 8.116 -12.523 0.695 32 HA LYS 4 HA LYS 4 6.023 -11.309 -0.628 33 1HB LYS 4 HB2 LYS 4 8.581 -9.953 0.282 34 2HB LYS 4 HB1 LYS 4 7.056 -9.130 -0.049 35 1HG LYS 4 HG2 LYS 4 6.722 -9.450 2.191 36 2HG LYS 4 HG1 LYS 4 6.188 -11.046 1.661 37 1HD LYS 4 HD2 LYS 4 7.921 -12.047 2.694 38 2HD LYS 4 HD1 LYS 4 9.077 -10.958 1.926 39 1HE LYS 4 HE2 LYS 4 9.253 -9.684 3.783 40 2HE LYS 4 HE1 LYS 4 7.503 -9.621 3.993 41 1HZ LYS 4 HZ3 LYS 4 8.854 -12.145 4.579 42 2HZ LYS 4 HZ2 LYS 4 9.054 -10.874 5.688 43 3HZ LYS 4 HZ1 LYS 4 7.497 -11.446 5.318 44 H LYS 5 HN LYS 5 5.956 -9.691 -2.375 45 HA LYS 5 HA LYS 5 8.203 -9.858 -4.318 46 1HB LYS 5 HB2 LYS 5 5.981 -11.423 -4.649 47 2HB LYS 5 HB1 LYS 5 5.514 -9.969 -5.533 48 1HG LYS 5 HG2 LYS 5 8.200 -11.293 -5.935 49 2HG LYS 5 HG1 LYS 5 6.779 -11.755 -6.871 50 1HD LYS 5 HD2 LYS 5 6.621 -9.092 -7.180 51 2HD LYS 5 HD1 LYS 5 8.364 -9.233 -6.952 52 1HE LYS 5 HE2 LYS 5 8.083 -9.478 -9.284 53 2HE LYS 5 HE1 LYS 5 8.238 -11.136 -8.702 54 1HZ LYS 5 HZ1 LYS 5 5.654 -10.904 -8.483 55 2HZ LYS 5 HZ3 LYS 5 5.867 -9.720 -9.678 56 3HZ LYS 5 HZ2 LYS 5 6.371 -11.316 -9.967 57 H ILE 6 HN ILE 6 4.902 -8.471 -4.037 58 HA ILE 6 HA ILE 6 5.714 -6.031 -5.386 59 HB ILE 6 HB ILE 6 3.221 -7.005 -4.024 60 1HG1 ILE 6 HG12 ILE 6 3.861 -7.401 -6.480 61 2HG1 ILE 6 HG11 ILE 6 2.264 -6.715 -6.188 62 1HG2 ILE 6 HG21 ILE 6 3.836 -4.129 -4.751 63 2HG2 ILE 6 HG23 ILE 6 2.196 -4.743 -4.549 64 3HG2 ILE 6 HG22 ILE 6 3.314 -4.751 -3.185 65 1HD1 ILE 6 HD13 ILE 6 4.416 -4.712 -6.452 66 2HD1 ILE 6 HD12 ILE 6 4.108 -5.648 -7.914 67 3HD1 ILE 6 HD11 ILE 6 2.802 -4.730 -7.163 68 H GLU 7 HN GLU 7 6.428 -7.165 -2.362 69 HA GLU 7 HA GLU 7 5.930 -5.036 -0.585 70 1HB GLU 7 HB2 GLU 7 7.662 -7.353 -0.678 71 2HB GLU 7 HB1 GLU 7 8.508 -5.982 0.038 72 1HG GLU 7 HG2 GLU 7 7.292 -7.259 1.763 73 2HG GLU 7 HG1 GLU 7 6.629 -5.632 1.598 74 H GLU 8 HN GLU 8 9.288 -5.511 -1.616 75 HA GLU 8 HA GLU 8 9.830 -2.692 -1.459 76 1HB GLU 8 HB2 GLU 8 12.009 -3.286 -2.522 77 2HB GLU 8 HB1 GLU 8 11.621 -4.356 -1.174 78 1HG GLU 8 HG2 GLU 8 10.435 -5.695 -3.227 79 2HG GLU 8 HG1 GLU 8 11.798 -4.955 -4.068 80 H ILE 9 HN ILE 9 8.754 -4.776 -4.088 81 HA ILE 9 HA ILE 9 9.389 -3.087 -6.283 82 HB ILE 9 HB ILE 9 6.803 -4.631 -5.871 83 1HG1 ILE 9 HG12 ILE 9 8.956 -5.961 -5.596 84 2HG1 ILE 9 HG11 ILE 9 7.899 -6.514 -6.895 85 1HG2 ILE 9 HG21 ILE 9 8.059 -3.177 -8.138 86 2HG2 ILE 9 HG23 ILE 9 7.332 -4.737 -8.520 87 3HG2 ILE 9 HG22 ILE 9 6.353 -3.464 -7.790 88 1HD1 ILE 9 HD12 ILE 9 9.882 -4.435 -7.638 89 2HD1 ILE 9 HD11 ILE 9 10.538 -6.026 -7.251 90 3HD1 ILE 9 HD13 ILE 9 9.346 -5.853 -8.539 91 H ALA 10 HN ALA 10 6.993 -2.943 -3.757 92 HA ALA 10 HA ALA 10 5.703 -0.528 -4.849 93 1HB ALA 10 HB2 ALA 10 5.281 -2.299 -2.449 94 2HB ALA 10 HB1 ALA 10 4.578 -0.682 -2.475 95 3HB ALA 10 HB3 ALA 10 4.133 -1.856 -3.713 96 H ALA 11 HN ALA 11 8.155 -1.491 -2.577 97 HA ALA 11 HA ALA 11 8.335 0.824 -0.968 98 1HB ALA 11 HB3 ALA 11 10.530 -1.022 -1.905 99 2HB ALA 11 HB2 ALA 11 10.712 0.183 -0.630 100 3HB ALA 11 HB1 ALA 11 9.599 -1.168 -0.414 101 H LYS 12 HN LYS 12 9.486 0.161 -4.222 102 HA LYS 12 HA LYS 12 11.260 2.417 -4.441 103 1HB LYS 12 HB2 LYS 12 10.193 0.337 -6.194 104 2HB LYS 12 HB1 LYS 12 10.390 1.885 -7.019 105 1HG LYS 12 HG2 LYS 12 12.549 1.172 -7.258 106 2HG LYS 12 HG1 LYS 12 12.707 1.798 -5.617 107 1HD LYS 12 HD2 LYS 12 13.547 -0.349 -5.333 108 2HD LYS 12 HD1 LYS 12 11.845 -0.612 -4.952 109 1HE LYS 12 HE2 LYS 12 12.759 -2.310 -6.548 110 2HE LYS 12 HE1 LYS 12 11.409 -1.392 -7.217 111 1HZ LYS 12 HZ3 LYS 12 13.936 -0.134 -7.682 112 2HZ LYS 12 HZ2 LYS 12 13.861 -1.690 -8.358 113 3HZ LYS 12 HZ1 LYS 12 12.704 -0.520 -8.780 114 H TYR 13 HN TYR 13 7.959 2.421 -4.078 115 HA TYR 13 HA TYR 13 7.313 4.546 -5.968 116 1HB TYR 13 HB2 TYR 13 5.829 3.327 -3.612 117 2HB TYR 13 HB1 TYR 13 5.175 4.675 -4.526 118 HD1 TYR 13 HD1 TYR 13 7.036 1.604 -5.469 119 HD2 TYR 13 HD2 TYR 13 3.434 3.913 -6.025 120 HE1 TYR 13 HE1 TYR 13 6.288 0.018 -7.204 121 HE2 TYR 13 HE2 TYR 13 2.723 2.328 -7.760 122 HH TYR 13 HH TYR 13 3.104 0.020 -8.419 123 H LYS 14 HN LYS 14 8.908 6.072 -5.529 124 HA LYS 14 HA LYS 14 10.271 7.348 -3.898 125 1HB LYS 14 HB2 LYS 14 8.239 8.496 -5.518 126 2HB LYS 14 HB1 LYS 14 8.290 9.399 -4.003 127 1HG LYS 14 HG2 LYS 14 9.881 10.371 -5.587 128 2HG LYS 14 HG1 LYS 14 10.759 9.619 -4.255 129 1HD LYS 14 HD2 LYS 14 10.925 7.531 -5.706 130 2HD LYS 14 HD1 LYS 14 10.338 8.522 -7.043 131 1HE LYS 14 HE2 LYS 14 12.877 8.333 -6.833 132 2HE LYS 14 HE1 LYS 14 12.233 9.973 -6.926 133 1HZ LYS 14 HZ3 LYS 14 12.699 8.631 -4.334 134 2HZ LYS 14 HZ2 LYS 14 13.933 9.488 -5.125 135 3HZ LYS 14 HZ1 LYS 14 12.514 10.287 -4.646 136 H HIS 15 HN HIS 15 10.406 6.781 -1.775 137 HA HIS 15 HA HIS 15 8.430 6.452 0.138 138 1HB HIS 15 HB2 HIS 15 10.122 7.080 1.824 139 2HB HIS 15 HB1 HIS 15 10.817 6.043 0.580 140 HD1 HIS 15 HD1 HIS 15 12.384 8.232 2.336 141 HD2 HIS 15 HD2 HIS 15 11.160 8.650 -1.626 142 HE1 HIS 15 HE1 HIS 15 13.882 9.988 1.305 143 H SER 16 HN SER 16 9.498 9.443 -1.297 144 HA SER 16 HA SER 16 8.841 11.397 0.531 145 1HB SER 16 HB2 SER 16 8.837 11.198 -2.372 146 2HB SER 16 HB1 SER 16 7.595 12.308 -1.796 147 HG SER 16 HG SER 16 9.959 13.005 -2.116 148 H VAL 17 HN VAL 17 6.495 9.709 -1.560 149 HA VAL 17 HA VAL 17 4.458 9.814 0.510 150 HB VAL 17 HB VAL 17 4.569 12.170 -0.588 151 1HG1 VAL 17 HG12 VAL 17 4.682 11.385 -2.919 152 2HG1 VAL 17 HG11 VAL 17 3.103 10.620 -2.741 153 3HG1 VAL 17 HG13 VAL 17 3.247 12.376 -2.658 154 1HG2 VAL 17 HG22 VAL 17 2.640 10.906 0.746 155 2HG2 VAL 17 HG21 VAL 17 2.350 12.477 -0.003 156 3HG2 VAL 17 HG23 VAL 17 1.826 11.002 -0.815 157 H VAL 18 HN VAL 18 5.019 9.554 -2.986 158 HA VAL 18 HA VAL 18 2.874 7.930 -3.748 159 HB VAL 18 HB VAL 18 4.466 8.776 -5.370 160 1HG1 VAL 18 HG13 VAL 18 6.333 7.294 -3.582 161 2HG1 VAL 18 HG12 VAL 18 6.757 7.406 -5.287 162 3HG1 VAL 18 HG11 VAL 18 6.530 8.874 -4.335 163 1HG2 VAL 18 HG21 VAL 18 3.591 6.085 -5.267 164 2HG2 VAL 18 HG23 VAL 18 4.085 6.988 -6.700 165 3HG2 VAL 18 HG22 VAL 18 5.268 6.031 -5.810 166 H LYS 19 HN LYS 19 5.539 7.141 -1.668 167 HA LYS 19 HA LYS 19 5.492 4.283 -2.048 168 1HB LYS 19 HB2 LYS 19 7.444 4.940 -0.998 169 2HB LYS 19 HB1 LYS 19 6.635 6.189 -0.061 170 1HG LYS 19 HG2 LYS 19 6.258 4.772 1.681 171 2HG LYS 19 HG1 LYS 19 5.755 3.461 0.615 172 1HD LYS 19 HD2 LYS 19 7.803 2.513 0.627 173 2HD LYS 19 HD1 LYS 19 8.614 4.063 0.403 174 1HE LYS 19 HE2 LYS 19 8.388 4.572 2.777 175 2HE LYS 19 HE1 LYS 19 7.452 3.099 3.031 176 1HZ LYS 19 HZ3 LYS 19 9.578 2.042 1.928 177 2HZ LYS 19 HZ2 LYS 19 10.320 3.429 2.574 178 3HZ LYS 19 HZ1 LYS 19 9.500 2.345 3.595 179 H LYS 20 HN LYS 20 4.694 5.743 1.090 180 HA LYS 20 HA LYS 20 2.986 3.795 2.029 181 1HB LYS 20 HB2 LYS 20 3.297 6.673 2.521 182 2HB LYS 20 HB1 LYS 20 1.667 6.088 2.858 183 1HG LYS 20 HG2 LYS 20 2.349 4.803 4.618 184 2HG LYS 20 HG1 LYS 20 3.868 4.362 3.836 185 1HD LYS 20 HD2 LYS 20 3.757 7.209 4.456 186 2HD LYS 20 HD1 LYS 20 3.565 6.214 5.899 187 1HE LYS 20 HE2 LYS 20 5.638 5.148 4.165 188 2HE LYS 20 HE1 LYS 20 5.976 6.822 4.608 189 1HZ LYS 20 HZ1 LYS 20 5.021 5.451 6.865 190 2HZ LYS 20 HZ3 LYS 20 6.275 4.539 6.178 191 3HZ LYS 20 HZ2 LYS 20 6.548 6.156 6.622 192 H CYS 21 HN CYS 21 2.353 6.078 -0.501 193 HA CYS 21 HA CYS 21 -0.523 5.876 -0.674 194 1HB CYS 21 HB2 CYS 21 1.636 6.404 -2.714 195 2HB CYS 21 HB1 CYS 21 -0.084 6.516 -3.008 196 H CYS 22 HN CYS 22 2.060 4.311 -2.602 197 HA CYS 22 HA CYS 22 0.341 2.584 -4.007 198 1HB CYS 22 HB2 CYS 22 2.288 2.536 -5.037 199 2HB CYS 22 HB1 CYS 22 3.223 2.833 -3.580 200 H TYR 23 HN TYR 23 2.160 2.160 -0.997 201 HA TYR 23 HA TYR 23 1.292 -0.506 -0.452 202 1HB TYR 23 HB2 TYR 23 2.121 1.755 1.389 203 2HB TYR 23 HB1 TYR 23 1.729 0.137 1.972 204 HD1 TYR 23 HD2 TYR 23 3.926 1.990 -0.370 205 HD2 TYR 23 HD1 TYR 23 3.335 -1.611 1.869 206 HE1 TYR 23 HE2 TYR 23 6.221 1.271 -0.947 207 HE2 TYR 23 HE1 TYR 23 5.633 -2.350 1.287 208 HH TYR 23 HH TYR 23 7.444 -1.919 0.061 209 H ASP 24 HN ASP 24 -0.131 2.656 -0.151 210 HA ASP 24 HA ASP 24 -2.290 2.054 1.614 211 1HB ASP 24 HB2 ASP 24 -1.550 4.257 -0.194 212 2HB ASP 24 HB1 ASP 24 -3.289 3.924 -0.217 213 H GLY 25 HN GLY 25 -2.025 1.942 -1.907 214 1HA GLY 25 HA2 GLY 25 -4.677 1.037 -2.435 215 2HA GLY 25 HA1 GLY 25 -3.292 0.822 -3.502 216 H ALA 26 HN ALA 26 -1.614 -0.832 -2.212 217 HA ALA 26 HA ALA 26 -3.102 -3.353 -2.264 218 1HB ALA 26 HB2 ALA 26 -0.770 -2.958 -3.228 219 2HB ALA 26 HB1 ALA 26 -0.186 -3.008 -1.564 220 3HB ALA 26 HB3 ALA 26 -0.978 -4.419 -2.264 221 H SER 27 HN SER 27 -2.671 -1.165 0.227 222 HA SER 27 HA SER 27 -2.294 -3.272 2.269 223 1HB SER 27 HB2 SER 27 -2.211 -0.301 2.388 224 2HB SER 27 HB1 SER 27 -2.247 -1.279 3.833 225 HG SER 27 HG SER 27 -0.161 -1.346 3.525 226 H VAL 28 HN VAL 28 -4.484 -0.500 1.724 227 HA VAL 28 HA VAL 28 -6.330 -1.311 3.750 228 HB VAL 28 HB VAL 28 -7.379 0.097 1.328 229 1HG1 VAL 28 HG13 VAL 28 -7.664 0.231 4.327 230 2HG1 VAL 28 HG12 VAL 28 -8.207 1.568 3.313 231 3HG1 VAL 28 HG11 VAL 28 -8.914 -0.032 3.113 232 1HG2 VAL 28 HG21 VAL 28 -4.979 0.893 2.823 233 2HG2 VAL 28 HG23 VAL 28 -5.621 1.535 1.310 234 3HG2 VAL 28 HG22 VAL 28 -6.245 2.120 2.852 235 H ASN 29 HN ASN 29 -8.744 -1.851 3.022 236 HA ASN 29 HA ASN 29 -9.025 -4.469 2.363 237 1HB ASN 29 HB2 ASN 29 -10.758 -2.229 2.373 238 2HB ASN 29 HB1 ASN 29 -11.060 -3.087 0.866 239 1HD2 ASN 29 HD22 ASN 29 -11.991 -4.869 4.433 240 2HD2 ASN 29 HD21 ASN 29 -11.049 -3.457 4.411 241 H ASN 30 HN ASN 30 -9.475 -5.670 0.400 242 HA ASN 30 HA ASN 30 -7.637 -5.446 -1.650 243 1HB ASN 30 HB2 ASN 30 -10.467 -6.504 -1.697 244 2HB ASN 30 HB1 ASN 30 -9.401 -6.628 -3.097 245 1HD2 ASN 30 HD22 ASN 30 -9.077 -9.479 -0.426 246 2HD2 ASN 30 HD21 ASN 30 -10.472 -8.581 -0.784 247 H ASP 31 HN ASP 31 -10.514 -3.502 -1.194 248 HA ASP 31 HA ASP 31 -9.664 -1.871 -3.513 249 1HB ASP 31 HB2 ASP 31 -12.023 -1.778 -4.356 250 2HB ASP 31 HB1 ASP 31 -11.288 -3.376 -4.506 251 H GLU 32 HN GLU 32 -10.310 -1.823 -0.339 252 HA GLU 32 HA GLU 32 -12.274 0.144 0.082 253 1HB GLU 32 HB2 GLU 32 -11.423 -0.648 2.081 254 2HB GLU 32 HB1 GLU 32 -9.748 -0.558 1.536 255 1HG GLU 32 HG2 GLU 32 -9.576 1.698 2.042 256 2HG GLU 32 HG1 GLU 32 -11.295 1.993 1.783 257 H THR 33 HN THR 33 -8.791 0.948 0.105 258 HA THR 33 HA THR 33 -9.352 3.665 -0.768 259 HB THR 33 HB THR 33 -6.897 3.906 -0.729 260 HG1 THR 33 HG1 THR 33 -6.952 1.130 -0.173 261 1HG2 THR 33 HG22 THR 33 -8.260 3.989 1.381 262 2HG2 THR 33 HG21 THR 33 -7.849 2.294 1.641 263 3HG2 THR 33 HG23 THR 33 -6.579 3.516 1.632 264 H CYS 34 HN CYS 34 -7.763 0.815 -2.222 265 HA CYS 34 HA CYS 34 -6.902 1.634 -4.685 266 1HB CYS 34 HB2 CYS 34 -7.383 -0.770 -3.707 267 2HB CYS 34 HB1 CYS 34 -8.870 -0.631 -4.643 268 H GLU 35 HN GLU 35 -10.258 1.548 -3.617 269 HA GLU 35 HA GLU 35 -11.253 2.227 -6.314 270 1HB GLU 35 HB2 GLU 35 -12.481 0.632 -4.836 271 2HB GLU 35 HB1 GLU 35 -12.800 1.965 -3.725 272 1HG GLU 35 HG2 GLU 35 -14.154 3.105 -5.293 273 2HG GLU 35 HG1 GLU 35 -13.536 2.155 -6.645 274 H GLN 36 HN GLN 36 -12.008 3.695 -3.121 275 HA GLN 36 HA GLN 36 -12.966 6.124 -4.074 276 1HB GLN 36 HB2 GLN 36 -11.869 7.091 -1.903 277 2HB GLN 36 HB1 GLN 36 -13.124 5.862 -1.750 278 1HG GLN 36 HG2 GLN 36 -11.650 4.238 -1.071 279 2HG GLN 36 HG1 GLN 36 -10.325 4.890 -2.037 280 1HE2 GLN 36 HE22 GLN 36 -9.695 7.505 0.513 281 2HE2 GLN 36 HE21 GLN 36 -10.004 7.459 -1.156 282 H ARG 37 HN ARG 37 -9.706 4.989 -4.141 283 HA ARG 37 HA ARG 37 -8.706 7.680 -4.839 284 1HB ARG 37 HB2 ARG 37 -7.581 5.337 -3.531 285 2HB ARG 37 HB1 ARG 37 -6.539 5.934 -4.823 286 1HG ARG 37 HG2 ARG 37 -6.318 8.054 -3.831 287 2HG ARG 37 HG1 ARG 37 -7.755 7.832 -2.836 288 1HD ARG 37 HD2 ARG 37 -6.639 6.238 -1.427 289 2HD ARG 37 HD1 ARG 37 -5.244 6.179 -2.507 290 HE ARG 37 HE ARG 37 -5.370 8.839 -1.797 291 1HH1 ARG 37 HH21 ARG 37 -5.378 5.835 -0.093 292 2HH1 ARG 37 HH22 ARG 37 -4.566 6.475 1.296 293 1HH2 ARG 37 HH12 ARG 37 -4.309 9.681 0.005 294 2HH2 ARG 37 HH11 ARG 37 -3.959 8.649 1.351 295 H ALA 38 HN ALA 38 -8.735 4.329 -6.167 296 HA ALA 38 HA ALA 38 -7.532 5.323 -8.663 297 1HB ALA 38 HB2 ALA 38 -7.339 2.932 -7.563 298 2HB ALA 38 HB1 ALA 38 -8.835 2.631 -8.447 299 3HB ALA 38 HB3 ALA 38 -7.375 3.099 -9.318 300 H ALA 39 HN ALA 39 -10.694 3.989 -7.703 301 HA ALA 39 HA ALA 39 -11.929 4.373 -10.262 302 1HB ALA 39 HB2 ALA 39 -12.777 2.921 -8.346 303 2HB ALA 39 HB1 ALA 39 -13.353 4.407 -7.593 304 3HB ALA 39 HB3 ALA 39 -13.998 3.902 -9.155 305 H ARG 40 HN ARG 40 -12.505 6.246 -7.253 306 HA ARG 40 HA ARG 40 -13.495 8.491 -8.891 307 1HB ARG 40 HB2 ARG 40 -14.483 7.651 -6.633 308 2HB ARG 40 HB1 ARG 40 -13.157 8.553 -5.900 309 1HG ARG 40 HG2 ARG 40 -14.148 10.344 -7.757 310 2HG ARG 40 HG1 ARG 40 -15.608 9.546 -7.171 311 1HD ARG 40 HD2 ARG 40 -13.533 10.480 -5.207 312 2HD ARG 40 HD1 ARG 40 -14.685 11.634 -5.880 313 HE ARG 40 HE ARG 40 -16.277 9.533 -5.026 314 1HH1 ARG 40 HH21 ARG 40 -13.829 11.539 -3.641 315 2HH1 ARG 40 HH22 ARG 40 -14.491 11.465 -2.043 316 1HH2 ARG 40 HH12 ARG 40 -17.150 9.432 -2.946 317 2HH2 ARG 40 HH11 ARG 40 -16.370 10.275 -1.650 318 H ILE 41 HN ILE 41 -12.207 10.147 -9.508 319 HA ILE 41 HA ILE 41 -9.954 10.974 -7.783 320 HB ILE 41 HB ILE 41 -9.655 9.726 -10.497 321 1HG1 ILE 41 HG12 ILE 41 -7.735 9.819 -8.168 322 2HG1 ILE 41 HG11 ILE 41 -9.087 8.683 -8.214 323 1HG2 ILE 41 HG21 ILE 41 -8.135 12.105 -9.456 324 2HG2 ILE 41 HG23 ILE 41 -7.295 10.888 -10.418 325 3HG2 ILE 41 HG22 ILE 41 -8.667 11.760 -11.102 326 1HD1 ILE 41 HD11 ILE 41 -8.213 8.028 -10.555 327 2HD1 ILE 41 HD13 ILE 41 -6.730 8.862 -10.089 328 3HD1 ILE 41 HD12 ILE 41 -7.288 7.470 -9.161 329 H SER 42 HN SER 42 -11.235 12.912 -7.547 330 HA SER 42 HA SER 42 -11.779 14.486 -10.000 331 1HB SER 42 HB2 SER 42 -12.269 15.405 -7.166 332 2HB SER 42 HB1 SER 42 -13.101 15.899 -8.637 333 HG SER 42 HG SER 42 -14.000 14.176 -7.046 334 H LEU 43 HN LEU 43 -9.045 13.870 -8.994 335 HA LEU 43 HA LEU 43 -7.775 16.376 -9.459 336 1HB LEU 43 HB2 LEU 43 -8.831 16.608 -7.064 337 2HB LEU 43 HB1 LEU 43 -7.518 15.545 -6.571 338 HG LEU 43 HG LEU 43 -7.411 18.371 -7.545 339 1HD1 LEU 43 HD12 LEU 43 -7.152 17.535 -5.132 340 2HD1 LEU 43 HD11 LEU 43 -5.598 16.875 -5.641 341 3HD1 LEU 43 HD13 LEU 43 -5.889 18.612 -5.728 342 1HD2 LEU 43 HD21 LEU 43 -6.060 17.084 -9.211 343 2HD2 LEU 43 HD23 LEU 43 -5.064 18.140 -8.210 344 3HD2 LEU 43 HD22 LEU 43 -5.117 16.408 -7.884 345 H GLY 44 HN GLY 44 -7.678 13.244 -7.849 346 1HA GLY 44 HA2 GLY 44 -6.053 11.586 -7.785 347 2HA GLY 44 HA1 GLY 44 -5.500 12.194 -9.337 348 HA PRO 45 HA PRO 45 -3.348 14.883 -5.692 349 1HB PRO 45 HB2 PRO 45 -3.152 12.753 -3.724 350 2HB PRO 45 HB1 PRO 45 -3.774 14.396 -3.531 351 1HG PRO 45 HG2 PRO 45 -5.267 11.971 -3.680 352 2HG PRO 45 HG1 PRO 45 -5.884 13.620 -3.536 353 1HD PRO 45 HD2 PRO 45 -6.142 11.906 -5.767 354 2HD PRO 45 HD1 PRO 45 -6.551 13.625 -5.692 355 H ARG 46 HN ARG 46 -2.803 11.338 -5.413 356 HA ARG 46 HA ARG 46 -0.572 11.260 -7.176 357 1HB ARG 46 HB2 ARG 46 0.243 12.771 -5.199 358 2HB ARG 46 HB1 ARG 46 0.382 11.245 -4.324 359 1HG ARG 46 HG2 ARG 46 2.072 10.450 -5.698 360 2HG ARG 46 HG1 ARG 46 1.551 11.421 -7.075 361 1HD ARG 46 HD2 ARG 46 2.237 13.249 -5.026 362 2HD ARG 46 HD1 ARG 46 3.530 12.050 -5.077 363 HE ARG 46 HE ARG 46 3.127 12.685 -7.739 364 1HH1 ARG 46 HH21 ARG 46 3.706 14.440 -4.820 365 2HH1 ARG 46 HH22 ARG 46 4.558 15.723 -5.610 366 1HH2 ARG 46 HH12 ARG 46 4.236 14.354 -8.777 367 2HH2 ARG 46 HH11 ARG 46 4.858 15.675 -7.846 368 H CYS 47 HN CYS 47 -1.531 10.001 -3.960 369 HA CYS 47 HA CYS 47 -0.518 7.394 -4.352 370 1HB CYS 47 HB2 CYS 47 -3.075 7.845 -2.811 371 2HB CYS 47 HB1 CYS 47 -1.808 6.700 -2.471 372 H ILE 48 HN ILE 48 -3.253 8.937 -5.796 373 HA ILE 48 HA ILE 48 -4.658 6.489 -6.320 374 HB ILE 48 HB ILE 48 -5.746 7.911 -8.179 375 1HG1 ILE 48 HG12 ILE 48 -5.017 10.429 -7.076 376 2HG1 ILE 48 HG11 ILE 48 -3.536 9.616 -7.521 377 1HG2 ILE 48 HG23 ILE 48 -6.520 7.615 -5.752 378 2HG2 ILE 48 HG22 ILE 48 -5.823 9.206 -5.456 379 3HG2 ILE 48 HG21 ILE 48 -7.140 9.019 -6.614 380 1HD1 ILE 48 HD12 ILE 48 -4.750 9.045 -9.741 381 2HD1 ILE 48 HD11 ILE 48 -5.868 10.329 -9.279 382 3HD1 ILE 48 HD13 ILE 48 -4.158 10.691 -9.516 383 H LYS 49 HN LYS 49 -2.857 8.516 -8.730 384 HA LYS 49 HA LYS 49 -2.722 6.462 -10.668 385 1HB LYS 49 HB2 LYS 49 -1.523 9.055 -10.250 386 2HB LYS 49 HB1 LYS 49 -0.306 7.926 -10.847 387 1HG LYS 49 HG2 LYS 49 -1.639 7.373 -12.767 388 2HG LYS 49 HG1 LYS 49 -3.038 8.230 -12.117 389 1HD LYS 49 HD2 LYS 49 -1.791 9.520 -13.883 390 2HD LYS 49 HD1 LYS 49 -1.915 10.362 -12.339 391 1HE LYS 49 HE2 LYS 49 0.377 10.515 -13.227 392 2HE LYS 49 HE1 LYS 49 0.350 9.578 -11.733 393 1HZ LYS 49 HZ2 LYS 49 0.014 8.151 -14.267 394 2HZ LYS 49 HZ1 LYS 49 1.569 8.705 -13.868 395 3HZ LYS 49 HZ3 LYS 49 0.758 7.642 -12.826 396 H ALA 50 HN ALA 50 -0.192 7.414 -8.298 397 HA ALA 50 HA ALA 50 1.649 5.343 -8.825 398 1HB ALA 50 HB2 ALA 50 0.889 6.679 -6.221 399 2HB ALA 50 HB1 ALA 50 2.194 5.499 -6.336 400 3HB ALA 50 HB3 ALA 50 2.296 7.014 -7.233 401 H PHE 51 HN PHE 51 -0.658 5.380 -6.174 402 HA PHE 51 HA PHE 51 -0.304 2.614 -5.707 403 1HB PHE 51 HB2 PHE 51 -1.325 3.098 -3.815 404 2HB PHE 51 HB1 PHE 51 -1.311 4.753 -4.303 405 HD1 PHE 51 HD1 PHE 51 -3.601 4.240 -6.491 406 HD2 PHE 51 HD2 PHE 51 -3.162 3.355 -2.335 407 HE1 PHE 51 HE1 PHE 51 -6.051 4.159 -6.249 408 HE2 PHE 51 HE2 PHE 51 -5.616 3.295 -2.084 409 HZ PHE 51 HZ PHE 51 -7.061 3.688 -4.054 410 H THR 52 HN THR 52 -1.914 4.045 -8.215 411 HA THR 52 HA THR 52 -4.219 2.224 -8.298 412 HB THR 52 HB THR 52 -3.177 4.424 -10.071 413 HG1 THR 52 HG1 THR 52 -5.599 3.738 -8.791 414 1HG2 THR 52 HG21 THR 52 -4.763 2.052 -10.930 415 2HG2 THR 52 HG23 THR 52 -5.308 3.628 -11.505 416 3HG2 THR 52 HG22 THR 52 -3.673 3.075 -11.866 417 H GLU 53 HN GLU 53 -1.133 2.695 -10.006 418 HA GLU 53 HA GLU 53 -1.503 0.207 -11.521 419 1HB GLU 53 HB2 GLU 53 1.195 1.450 -11.053 420 2HB GLU 53 HB1 GLU 53 0.558 0.689 -12.512 421 1HG GLU 53 HG2 GLU 53 -1.143 2.874 -12.015 422 2HG GLU 53 HG1 GLU 53 0.488 3.481 -11.736 423 H CYS 54 HN CYS 54 0.008 1.274 -8.544 424 HA CYS 54 HA CYS 54 1.400 -1.197 -7.973 425 1HB CYS 54 HB2 CYS 54 2.195 0.707 -6.861 426 2HB CYS 54 HB1 CYS 54 0.583 1.223 -6.363 427 H CYS 55 HN CYS 55 -1.806 0.074 -7.129 428 HA CYS 55 HA CYS 55 -2.434 -2.197 -5.418 429 1HB CYS 55 HB2 CYS 55 -3.626 -0.132 -4.982 430 2HB CYS 55 HB1 CYS 55 -4.219 -0.047 -6.635 431 H VAL 56 HN VAL 56 -3.644 -1.121 -8.604 432 HA VAL 56 HA VAL 56 -5.163 -3.344 -9.298 433 HB VAL 56 HB VAL 56 -4.705 -2.799 -11.640 434 1HG1 VAL 56 HG12 VAL 56 -5.286 -0.755 -9.600 435 2HG1 VAL 56 HG11 VAL 56 -4.759 -0.095 -11.149 436 3HG1 VAL 56 HG13 VAL 56 -6.166 -1.156 -11.076 437 1HG2 VAL 56 HG23 VAL 56 -2.353 -1.346 -10.425 438 2HG2 VAL 56 HG22 VAL 56 -2.356 -2.519 -11.742 439 3HG2 VAL 56 HG21 VAL 56 -2.988 -0.893 -12.007 440 H VAL 57 HN VAL 57 -1.614 -2.952 -9.816 441 HA VAL 57 HA VAL 57 -1.262 -5.593 -10.876 442 HB VAL 57 HB VAL 57 0.520 -3.958 -11.096 443 1HG1 VAL 57 HG13 VAL 57 -0.140 -3.055 -8.674 444 2HG1 VAL 57 HG12 VAL 57 1.188 -4.108 -8.188 445 3HG1 VAL 57 HG11 VAL 57 1.471 -2.803 -9.340 446 1HG2 VAL 57 HG21 VAL 57 0.893 -6.565 -9.851 447 2HG2 VAL 57 HG23 VAL 57 1.834 -5.798 -11.131 448 3HG2 VAL 57 HG22 VAL 57 2.208 -5.463 -9.441 449 H ALA 58 HN ALA 58 -0.862 -4.345 -7.541 450 HA ALA 58 HA ALA 58 -0.182 -6.730 -6.248 451 1HB ALA 58 HB3 ALA 58 -2.068 -4.570 -5.257 452 2HB ALA 58 HB2 ALA 58 -1.284 -5.779 -4.240 453 3HB ALA 58 HB1 ALA 58 -0.314 -4.568 -5.077 454 H SER 59 HN SER 59 -3.506 -5.519 -6.006 455 HA SER 59 HA SER 59 -4.841 -7.832 -5.347 456 1HB SER 59 HB2 SER 59 -6.184 -6.404 -7.542 457 2HB SER 59 HB1 SER 59 -6.730 -6.693 -5.895 458 HG SER 59 HG SER 59 -5.450 -4.984 -5.207 459 H GLN 60 HN GLN 60 -4.571 -6.755 -8.714 460 HA GLN 60 HA GLN 60 -5.532 -8.794 -10.163 461 1HB GLN 60 HB2 GLN 60 -4.233 -6.816 -11.060 462 2HB GLN 60 HB1 GLN 60 -2.760 -7.738 -10.755 463 1HG GLN 60 HG2 GLN 60 -3.046 -8.910 -12.654 464 2HG GLN 60 HG1 GLN 60 -4.667 -9.391 -12.151 465 1HE2 GLN 60 HE22 GLN 60 -4.358 -6.793 -15.133 466 2HE2 GLN 60 HE21 GLN 60 -3.125 -7.848 -14.635 467 H LEU 61 HN LEU 61 -2.138 -8.971 -8.927 468 HA LEU 61 HA LEU 61 -1.944 -11.754 -9.709 469 1HB LEU 61 HB2 LEU 61 -0.315 -10.753 -7.430 470 2HB LEU 61 HB1 LEU 61 0.134 -11.823 -8.745 471 HG LEU 61 HG LEU 61 0.225 -8.897 -8.565 472 1HD1 LEU 61 HD11 LEU 61 1.819 -11.159 -9.649 473 2HD1 LEU 61 HD13 LEU 61 2.052 -9.573 -10.385 474 3HD1 LEU 61 HD12 LEU 61 2.333 -9.795 -8.658 475 1HD2 LEU 61 HD23 LEU 61 -1.014 -10.302 -10.857 476 2HD2 LEU 61 HD22 LEU 61 -1.100 -8.596 -10.418 477 3HD2 LEU 61 HD21 LEU 61 0.299 -9.212 -11.296 478 H ARG 62 HN ARG 62 -2.344 -10.214 -6.512 479 HA ARG 62 HA ARG 62 -2.560 -12.294 -4.810 480 1HB ARG 62 HB2 ARG 62 -4.210 -9.828 -5.096 481 2HB ARG 62 HB1 ARG 62 -4.832 -11.074 -4.012 482 1HG ARG 62 HG2 ARG 62 -2.260 -11.063 -3.214 483 2HG ARG 62 HG1 ARG 62 -2.390 -9.391 -3.760 484 1HD ARG 62 HD2 ARG 62 -3.610 -8.830 -1.958 485 2HD ARG 62 HD1 ARG 62 -4.740 -10.152 -2.239 486 HE ARG 62 HE ARG 62 -2.800 -10.087 -0.182 487 1HH1 ARG 62 HH21 ARG 62 -3.839 -12.210 -2.717 488 2HH1 ARG 62 HH22 ARG 62 -3.088 -13.601 -2.017 489 1HH2 ARG 62 HH12 ARG 62 -1.850 -11.901 0.732 490 2HH2 ARG 62 HH11 ARG 62 -1.976 -13.431 -0.070 491 H ALA 63 HN ALA 63 -5.006 -11.535 -7.274 492 HA ALA 63 HA ALA 63 -6.865 -13.591 -6.557 493 1HB ALA 63 HB1 ALA 63 -6.369 -11.861 -8.860 494 2HB ALA 63 HB3 ALA 63 -6.879 -13.474 -9.356 495 3HB ALA 63 HB2 ALA 63 -7.896 -12.522 -8.275 496 H ASN 64 HN ASN 64 -4.335 -13.616 -9.088 497 HA ASN 64 HA ASN 64 -3.806 -16.475 -8.410 498 1HB ASN 64 HB2 ASN 64 -5.179 -15.709 -10.693 499 2HB ASN 64 HB1 ASN 64 -3.517 -15.863 -11.264 500 1HD2 ASN 64 HD22 ASN 64 -3.507 -19.384 -11.057 501 2HD2 ASN 64 HD21 ASN 64 -2.664 -17.976 -11.491 502 H ILE 65 HN ILE 65 -2.079 -14.843 -7.315 503 HA ILE 65 HA ILE 65 -0.053 -13.649 -8.928 504 HB ILE 65 HB ILE 65 1.055 -14.873 -6.500 505 1HG1 ILE 65 HG12 ILE 65 -1.447 -13.188 -6.321 506 2HG1 ILE 65 HG11 ILE 65 -1.194 -14.790 -5.636 507 1HG2 ILE 65 HG23 ILE 65 1.515 -12.630 -8.019 508 2HG2 ILE 65 HG22 ILE 65 0.629 -11.954 -6.654 509 3HG2 ILE 65 HG21 ILE 65 2.112 -12.850 -6.377 510 1HD1 ILE 65 HD13 ILE 65 0.907 -13.239 -4.619 511 2HD1 ILE 65 HD12 ILE 65 -0.510 -12.194 -4.525 512 3HD1 ILE 65 HD11 ILE 65 -0.525 -13.772 -3.738 513 H SER 66 HN SER 66 0.411 -15.061 -10.669 514 HA SER 66 HA SER 66 2.119 -17.387 -9.898 515 1HB SER 66 HB2 SER 66 -0.266 -17.924 -10.818 516 2HB SER 66 HB1 SER 66 0.402 -17.436 -12.371 517 HG SER 66 HG SER 66 0.652 -19.757 -11.174 518 H HIS 67 HN HIS 67 1.167 -15.849 -12.984 519 HA HIS 67 HA HIS 67 4.014 -15.062 -13.372 520 1HB HIS 67 HB2 HIS 67 2.722 -17.206 -14.716 521 2HB HIS 67 HB1 HIS 67 2.886 -15.893 -15.883 522 HD1 HIS 67 HD1 HIS 67 4.835 -16.971 -17.182 523 HD2 HIS 67 HD2 HIS 67 5.641 -16.465 -13.123 524 HE1 HIS 67 HE1 HIS 67 7.312 -17.405 -16.883 525 H LYS 68 HN LYS 68 3.352 -12.875 -13.027 526 HA LYS 68 HA LYS 68 2.551 -11.439 -15.352 527 1HB LYS 68 HB2 LYS 68 0.361 -12.645 -14.292 528 2HB LYS 68 HB1 LYS 68 0.354 -11.134 -13.381 529 1HG LYS 68 HG2 LYS 68 0.541 -9.885 -15.541 530 2HG LYS 68 HG1 LYS 68 0.396 -11.420 -16.400 531 1HD LYS 68 HD2 LYS 68 -1.664 -10.491 -14.390 532 2HD LYS 68 HD1 LYS 68 -1.773 -10.097 -16.106 533 1HE LYS 68 HE2 LYS 68 -2.440 -12.189 -16.653 534 2HE LYS 68 HE1 LYS 68 -1.222 -12.934 -15.620 535 1HZ LYS 68 HZ2 LYS 68 -2.944 -11.830 -13.849 536 2HZ LYS 68 HZ1 LYS 68 -3.985 -12.372 -15.077 537 3HZ LYS 68 HZ3 LYS 68 -2.933 -13.463 -14.316 538 H ASP 69 HN ASP 69 2.215 -9.080 -14.825 539 HA ASP 69 HA ASP 69 2.704 -8.116 -12.145 540 1HB ASP 69 HB2 ASP 69 5.011 -8.688 -13.894 541 2HB ASP 69 HB1 ASP 69 5.000 -7.060 -13.214 542 H MET 70 HN MET 70 3.309 -5.649 -12.311 543 HA MET 70 HA MET 70 2.542 -4.378 -14.839 544 1HB MET 70 HB2 MET 70 0.523 -5.005 -12.957 545 2HB MET 70 HB1 MET 70 0.804 -3.269 -12.822 546 1HG MET 70 HG2 MET 70 -0.307 -2.926 -14.746 547 2HG MET 70 HG1 MET 70 0.831 -3.970 -15.598 548 1HE MET 70 HE1 MET 70 -2.349 -3.119 -15.211 549 2HE MET 70 HE3 MET 70 -3.428 -4.521 -15.203 550 3HE MET 70 HE2 MET 70 -2.756 -3.913 -13.692 551 H CYS 71 HN CYS 71 2.161 -3.212 -11.496 552 HA CYS 71 HA CYS 71 4.502 -1.417 -11.966 553 1HB CYS 71 HB2 CYS 71 1.700 -0.769 -11.283 554 2HB CYS 71 HB1 CYS 71 2.907 0.068 -10.304 555 1H CYS 72 HN3 CYS 72 3.729 4.644 -11.803 556 2H CYS 72 HN2 CYS 72 2.329 3.702 -12.006 557 3H CYS 72 HN1 CYS 72 2.229 5.233 -11.276 558 HA CYS 72 HA CYS 72 2.101 3.686 -9.522 559 1HB CYS 72 HB2 CYS 72 4.407 2.241 -9.460 560 2HB CYS 72 HB1 CYS 72 2.839 1.649 -9.982 561 H LEU 73 HN LEU 73 5.573 3.793 -10.184 562 HA LEU 73 HA LEU 73 6.392 4.772 -7.746 563 1HB LEU 73 HB2 LEU 73 8.278 5.949 -9.126 564 2HB LEU 73 HB1 LEU 73 8.142 4.191 -9.195 565 HG LEU 73 HG LEU 73 6.408 5.408 -11.167 566 1HD1 LEU 73 HD13 LEU 73 8.289 7.169 -10.893 567 2HD1 LEU 73 HD12 LEU 73 9.340 5.957 -11.623 568 3HD1 LEU 73 HD11 LEU 73 7.955 6.577 -12.520 569 1HD2 LEU 73 HD22 LEU 73 8.494 3.321 -10.920 570 2HD2 LEU 73 HD21 LEU 73 6.947 3.270 -11.766 571 3HD2 LEU 73 HD23 LEU 73 8.343 4.034 -12.526 572 H GLY 74 HN GLY 74 7.258 7.061 -7.263 573 1HA GLY 74 HA2 GLY 74 5.249 9.062 -8.225 574 2HA GLY 74 HA1 GLY 74 5.937 9.075 -6.600 575 1HN DAR 75 HN ARG 75 6.267 11.412 -7.739 576 HA DAR 75 HA ARG 75 8.395 11.763 -9.582 577 1HB DAR 75 HB1 ARG 75 10.333 11.907 -8.331 578 2HB DAR 75 HB2 ARG 75 9.492 10.652 -7.428 579 1HG DAR 75 HG1 ARG 75 9.382 13.605 -6.743 580 2HG DAR 75 HG2 ARG 75 10.460 12.446 -5.969 581 1HD DAR 75 HD1 ARG 75 8.802 11.610 -4.675 582 2HD DAR 75 HD2 ARG 75 7.680 11.542 -6.030 583 HNE DAR 75 HE ARG 75 6.689 13.436 -5.125 584 1HH1 DAR 75 HH11 ARG 75 6.683 15.572 -4.438 585 2HH1 DAR 75 HH12 ARG 75 8.165 16.315 -3.934 586 1HH2 DAR 75 HH21 ARG 75 10.092 13.493 -4.473 587 2HH2 DAR 75 HH22 ARG 75 10.085 15.144 -3.966 No H/Q in entry = 587 Start of MODEL 4 1 1H MET 1 HN3 MET 1 13.698 -10.633 6.358 2 2H MET 1 HN2 MET 1 15.138 -10.825 7.236 3 3H MET 1 HN1 MET 1 14.794 -9.344 6.479 4 HA MET 1 HA MET 1 15.462 -10.035 4.462 5 1HB MET 1 HB2 MET 1 16.762 -11.903 6.444 6 2HB MET 1 HB1 MET 1 17.179 -11.957 4.731 7 1HG MET 1 HG2 MET 1 18.688 -10.343 5.270 8 2HG MET 1 HG1 MET 1 17.292 -9.266 5.228 9 1HE MET 1 HE2 MET 1 20.260 -9.854 6.912 10 2HE MET 1 HE1 MET 1 19.612 -8.219 6.808 11 3HE MET 1 HE3 MET 1 19.975 -8.930 8.386 12 H LEU 2 HN LEU 2 13.802 -10.809 3.176 13 HA LEU 2 HA LEU 2 13.657 -13.688 2.766 14 1HB LEU 2 HB2 LEU 2 11.312 -13.984 3.334 15 2HB LEU 2 HB1 LEU 2 12.155 -13.353 4.750 16 HG LEU 2 HG LEU 2 11.377 -11.073 3.326 17 1HD1 LEU 2 HD13 LEU 2 9.709 -13.232 2.544 18 2HD1 LEU 2 HD12 LEU 2 8.765 -12.235 3.653 19 3HD1 LEU 2 HD11 LEU 2 9.476 -11.517 2.208 20 1HD2 LEU 2 HD22 LEU 2 10.347 -12.520 5.765 21 2HD2 LEU 2 HD21 LEU 2 11.327 -11.055 5.687 22 3HD2 LEU 2 HD23 LEU 2 9.621 -11.000 5.241 23 H GLN 3 HN GLN 3 12.422 -14.199 0.830 24 HA GLN 3 HA GLN 3 12.561 -12.171 -1.192 25 1HB GLN 3 HB2 GLN 3 11.853 -14.985 -1.027 26 2HB GLN 3 HB1 GLN 3 10.760 -14.118 -2.105 27 1HG GLN 3 HG2 GLN 3 12.697 -13.180 -3.317 28 2HG GLN 3 HG1 GLN 3 13.789 -14.059 -2.246 29 1HE2 GLN 3 HE22 GLN 3 12.981 -16.032 -5.426 30 2HE2 GLN 3 HE21 GLN 3 13.408 -14.403 -5.214 31 H LYS 4 HN LYS 4 11.088 -10.624 -1.732 32 HA LYS 4 HA LYS 4 8.350 -10.866 -0.546 33 1HB LYS 4 HB2 LYS 4 9.520 -8.226 -1.359 34 2HB LYS 4 HB1 LYS 4 8.331 -8.580 -0.105 35 1HG LYS 4 HG2 LYS 4 10.153 -9.765 1.176 36 2HG LYS 4 HG1 LYS 4 11.303 -9.163 -0.019 37 1HD LYS 4 HD2 LYS 4 10.401 -6.826 0.499 38 2HD LYS 4 HD1 LYS 4 9.602 -7.554 1.894 39 1HE LYS 4 HE2 LYS 4 12.140 -8.562 2.133 40 2HE LYS 4 HE1 LYS 4 12.459 -6.963 1.462 41 1HZ LYS 4 HZ3 LYS 4 10.649 -7.393 3.764 42 2HZ LYS 4 HZ2 LYS 4 12.314 -7.108 3.953 43 3HZ LYS 4 HZ1 LYS 4 11.324 -5.933 3.225 44 H LYS 5 HN LYS 5 6.620 -9.853 -1.873 45 HA LYS 5 HA LYS 5 7.220 -10.197 -4.773 46 1HB LYS 5 HB2 LYS 5 4.630 -10.326 -3.206 47 2HB LYS 5 HB1 LYS 5 4.696 -10.353 -4.969 48 1HG LYS 5 HG2 LYS 5 6.403 -12.270 -3.412 49 2HG LYS 5 HG1 LYS 5 4.687 -12.621 -3.626 50 1HD LYS 5 HD2 LYS 5 4.932 -13.083 -5.837 51 2HD LYS 5 HD1 LYS 5 6.056 -11.746 -6.085 52 1HE LYS 5 HE2 LYS 5 7.910 -13.018 -5.332 53 2HE LYS 5 HE1 LYS 5 6.874 -14.244 -4.599 54 1HZ LYS 5 HZ1 LYS 5 6.116 -14.184 -7.221 55 2HZ LYS 5 HZ3 LYS 5 7.802 -14.028 -7.291 56 3HZ LYS 5 HZ2 LYS 5 7.107 -15.355 -6.491 57 H ILE 6 HN ILE 6 4.385 -8.460 -3.705 58 HA ILE 6 HA ILE 6 5.276 -6.121 -5.227 59 HB ILE 6 HB ILE 6 2.727 -6.997 -3.915 60 1HG1 ILE 6 HG12 ILE 6 3.410 -7.427 -6.340 61 2HG1 ILE 6 HG11 ILE 6 1.839 -6.662 -6.110 62 1HG2 ILE 6 HG21 ILE 6 3.380 -4.138 -4.689 63 2HG2 ILE 6 HG23 ILE 6 1.747 -4.740 -4.404 64 3HG2 ILE 6 HG22 ILE 6 2.922 -4.717 -3.088 65 1HD1 ILE 6 HD13 ILE 6 4.387 -5.104 -6.622 66 2HD1 ILE 6 HD12 ILE 6 3.271 -5.588 -7.898 67 3HD1 ILE 6 HD11 ILE 6 2.735 -4.485 -6.631 68 H GLU 7 HN GLU 7 5.979 -7.171 -2.197 69 HA GLU 7 HA GLU 7 5.511 -4.912 -0.526 70 1HB GLU 7 HB2 GLU 7 6.300 -7.191 0.229 71 2HB GLU 7 HB1 GLU 7 7.899 -6.774 -0.383 72 1HG GLU 7 HG2 GLU 7 8.258 -5.167 1.250 73 2HG GLU 7 HG1 GLU 7 6.536 -4.857 1.469 74 H GLU 8 HN GLU 8 8.777 -5.783 -1.711 75 HA GLU 8 HA GLU 8 9.684 -3.055 -1.515 76 1HB GLU 8 HB2 GLU 8 11.668 -3.879 -2.806 77 2HB GLU 8 HB1 GLU 8 11.282 -4.923 -1.438 78 1HG GLU 8 HG2 GLU 8 9.777 -6.146 -3.280 79 2HG GLU 8 HG1 GLU 8 10.978 -5.441 -4.363 80 H ILE 9 HN ILE 9 8.086 -4.890 -4.049 81 HA ILE 9 HA ILE 9 8.722 -3.216 -6.269 82 HB ILE 9 HB ILE 9 6.045 -4.502 -5.617 83 1HG1 ILE 9 HG12 ILE 9 8.129 -6.005 -5.674 84 2HG1 ILE 9 HG11 ILE 9 6.815 -6.447 -6.765 85 1HG2 ILE 9 HG22 ILE 9 7.028 -2.898 -7.844 86 2HG2 ILE 9 HG21 ILE 9 6.471 -4.485 -8.376 87 3HG2 ILE 9 HG23 ILE 9 5.383 -3.422 -7.485 88 1HD1 ILE 9 HD12 ILE 9 9.217 -4.773 -7.559 89 2HD1 ILE 9 HD11 ILE 9 9.053 -6.501 -7.876 90 3HD1 ILE 9 HD13 ILE 9 7.943 -5.357 -8.632 91 H ALA 10 HN ALA 10 6.543 -2.938 -3.547 92 HA ALA 10 HA ALA 10 5.418 -0.366 -4.394 93 1HB ALA 10 HB2 ALA 10 5.287 -1.973 -1.823 94 2HB ALA 10 HB1 ALA 10 4.526 -0.391 -2.000 95 3HB ALA 10 HB3 ALA 10 4.001 -1.741 -3.008 96 H ALA 11 HN ALA 11 8.048 -1.620 -2.497 97 HA ALA 11 HA ALA 11 8.749 0.637 -0.961 98 1HB ALA 11 HB3 ALA 11 10.493 -1.493 -2.191 99 2HB ALA 11 HB2 ALA 11 11.075 -0.296 -1.035 100 3HB ALA 11 HB1 ALA 11 9.844 -1.462 -0.552 101 H LYS 12 HN LYS 12 9.364 -0.142 -4.342 102 HA LYS 12 HA LYS 12 11.281 1.987 -4.782 103 1HB LYS 12 HB2 LYS 12 9.697 0.157 -6.570 104 2HB LYS 12 HB1 LYS 12 10.627 1.491 -7.253 105 1HG LYS 12 HG2 LYS 12 12.456 0.183 -7.147 106 2HG LYS 12 HG1 LYS 12 12.340 0.256 -5.388 107 1HD LYS 12 HD2 LYS 12 12.038 -1.985 -5.475 108 2HD LYS 12 HD1 LYS 12 10.412 -1.614 -6.050 109 1HE LYS 12 HE2 LYS 12 12.849 -2.365 -7.649 110 2HE LYS 12 HE1 LYS 12 11.228 -3.057 -7.714 111 1HZ LYS 12 HZ2 LYS 12 10.638 -0.604 -8.400 112 2HZ LYS 12 HZ1 LYS 12 12.255 -0.601 -8.925 113 3HZ LYS 12 HZ3 LYS 12 11.165 -1.741 -9.548 114 H TYR 13 HN TYR 13 7.933 2.052 -4.343 115 HA TYR 13 HA TYR 13 7.313 4.201 -6.200 116 1HB TYR 13 HB2 TYR 13 5.862 3.079 -3.773 117 2HB TYR 13 HB1 TYR 13 5.238 4.440 -4.687 118 HD1 TYR 13 HD1 TYR 13 6.929 1.287 -5.676 119 HD2 TYR 13 HD2 TYR 13 3.398 3.727 -6.084 120 HE1 TYR 13 HE1 TYR 13 6.036 -0.288 -7.355 121 HE2 TYR 13 HE2 TYR 13 2.544 2.162 -7.766 122 HH TYR 13 HH TYR 13 2.774 -0.019 -8.541 123 H LYS 14 HN LYS 14 8.939 5.712 -5.847 124 HA LYS 14 HA LYS 14 10.401 6.966 -4.280 125 1HB LYS 14 HB2 LYS 14 8.295 8.144 -5.795 126 2HB LYS 14 HB1 LYS 14 8.473 9.058 -4.298 127 1HG LYS 14 HG2 LYS 14 10.042 10.074 -5.726 128 2HG LYS 14 HG1 LYS 14 11.025 8.940 -4.798 129 1HD LYS 14 HD2 LYS 14 11.229 7.448 -6.580 130 2HD LYS 14 HD1 LYS 14 9.767 8.039 -7.372 131 1HE LYS 14 HE2 LYS 14 10.853 10.039 -8.098 132 2HE LYS 14 HE1 LYS 14 12.240 9.749 -7.048 133 1HZ LYS 14 HZ2 LYS 14 11.798 7.537 -8.765 134 2HZ LYS 14 HZ1 LYS 14 11.952 8.963 -9.675 135 3HZ LYS 14 HZ3 LYS 14 13.184 8.507 -8.602 136 H HIS 15 HN HIS 15 10.710 6.643 -2.152 137 HA HIS 15 HA HIS 15 8.830 6.213 -0.145 138 1HB HIS 15 HB2 HIS 15 10.555 7.052 1.447 139 2HB HIS 15 HB1 HIS 15 11.219 5.936 0.256 140 HD1 HIS 15 HD1 HIS 15 12.951 8.124 1.701 141 HD2 HIS 15 HD2 HIS 15 11.269 8.544 -2.089 142 HE1 HIS 15 HE1 HIS 15 14.327 9.873 0.496 143 H SER 16 HN SER 16 9.562 9.214 -1.746 144 HA SER 16 HA SER 16 8.868 11.184 0.070 145 1HB SER 16 HB2 SER 16 8.076 10.882 -2.831 146 2HB SER 16 HB1 SER 16 7.694 12.327 -1.900 147 HG SER 16 HG SER 16 10.271 11.206 -2.326 148 H VAL 17 HN VAL 17 6.342 10.063 -2.158 149 HA VAL 17 HA VAL 17 4.518 9.687 0.169 150 HB VAL 17 HB VAL 17 4.044 11.422 -2.268 151 1HG1 VAL 17 HG12 VAL 17 2.122 9.989 -0.473 152 2HG1 VAL 17 HG11 VAL 17 1.705 11.607 -1.036 153 3HG1 VAL 17 HG13 VAL 17 2.006 10.317 -2.201 154 1HG2 VAL 17 HG21 VAL 17 3.901 11.859 0.731 155 2HG2 VAL 17 HG23 VAL 17 5.046 12.588 -0.395 156 3HG2 VAL 17 HG22 VAL 17 3.341 13.035 -0.457 157 H VAL 18 HN VAL 18 4.932 9.372 -3.346 158 HA VAL 18 HA VAL 18 2.971 7.542 -4.026 159 HB VAL 18 HB VAL 18 4.605 8.435 -5.626 160 1HG1 VAL 18 HG12 VAL 18 6.430 6.931 -3.819 161 2HG1 VAL 18 HG11 VAL 18 6.859 7.000 -5.525 162 3HG1 VAL 18 HG13 VAL 18 6.671 8.491 -4.600 163 1HG2 VAL 18 HG23 VAL 18 3.858 5.634 -5.403 164 2HG2 VAL 18 HG22 VAL 18 3.960 6.641 -6.847 165 3HG2 VAL 18 HG21 VAL 18 5.394 5.807 -6.250 166 H LYS 19 HN LYS 19 5.704 6.985 -1.917 167 HA LYS 19 HA LYS 19 5.728 4.109 -2.139 168 1HB LYS 19 HB2 LYS 19 7.685 4.926 -1.175 169 2HB LYS 19 HB1 LYS 19 6.833 6.132 -0.222 170 1HG LYS 19 HG2 LYS 19 6.696 4.722 1.545 171 2HG LYS 19 HG1 LYS 19 6.043 3.429 0.541 172 1HD LYS 19 HD2 LYS 19 8.070 2.445 0.250 173 2HD LYS 19 HD1 LYS 19 8.914 3.989 0.128 174 1HE LYS 19 HE2 LYS 19 9.280 4.123 2.390 175 2HE LYS 19 HE1 LYS 19 7.770 3.302 2.787 176 1HZ LYS 19 HZ3 LYS 19 9.285 1.442 1.449 177 2HZ LYS 19 HZ2 LYS 19 10.381 2.219 2.489 178 3HZ LYS 19 HZ1 LYS 19 8.980 1.492 3.117 179 H LYS 20 HN LYS 20 4.963 5.686 0.947 180 HA LYS 20 HA LYS 20 3.298 3.734 1.977 181 1HB LYS 20 HB2 LYS 20 2.803 6.715 2.258 182 2HB LYS 20 HB1 LYS 20 2.272 5.457 3.375 183 1HG LYS 20 HG2 LYS 20 4.296 5.350 4.375 184 2HG LYS 20 HG1 LYS 20 5.143 5.329 2.828 185 1HD LYS 20 HD2 LYS 20 5.845 7.398 3.511 186 2HD LYS 20 HD1 LYS 20 4.289 7.898 2.848 187 1HE LYS 20 HE2 LYS 20 3.273 7.579 5.111 188 2HE LYS 20 HE1 LYS 20 4.881 7.227 5.745 189 1HZ LYS 20 HZ2 LYS 20 4.483 9.688 4.201 190 2HZ LYS 20 HZ1 LYS 20 3.923 9.639 5.804 191 3HZ LYS 20 HZ3 LYS 20 5.564 9.372 5.472 192 H CYS 21 HN CYS 21 2.573 5.943 -0.594 193 HA CYS 21 HA CYS 21 -0.316 5.751 -0.609 194 1HB CYS 21 HB2 CYS 21 1.707 6.216 -2.798 195 2HB CYS 21 HB1 CYS 21 -0.030 6.358 -2.951 196 H CYS 22 HN CYS 22 2.133 4.178 -2.699 197 HA CYS 22 HA CYS 22 0.353 2.411 -3.951 198 1HB CYS 22 HB2 CYS 22 2.260 2.387 -5.066 199 2HB CYS 22 HB1 CYS 22 3.263 2.630 -3.645 200 H TYR 23 HN TYR 23 2.312 2.059 -1.016 201 HA TYR 23 HA TYR 23 1.505 -0.599 -0.368 202 1HB TYR 23 HB2 TYR 23 2.335 1.751 1.351 203 2HB TYR 23 HB1 TYR 23 1.903 0.190 2.049 204 HD1 TYR 23 HD2 TYR 23 4.174 1.835 -0.375 205 HD2 TYR 23 HD1 TYR 23 3.456 -1.617 2.060 206 HE1 TYR 23 HE2 TYR 23 6.463 1.027 -0.860 207 HE2 TYR 23 HE1 TYR 23 5.747 -2.442 1.566 208 HH TYR 23 HH TYR 23 7.987 -1.332 0.881 209 H ASP 24 HN ASP 24 0.069 2.573 0.028 210 HA ASP 24 HA ASP 24 -2.086 1.955 1.760 211 1HB ASP 24 HB2 ASP 24 -1.368 4.152 -0.038 212 2HB ASP 24 HB1 ASP 24 -3.092 3.771 -0.157 213 H GLY 25 HN GLY 25 -1.852 1.792 -1.767 214 1HA GLY 25 HA2 GLY 25 -4.478 0.894 -2.325 215 2HA GLY 25 HA1 GLY 25 -3.065 0.586 -3.333 216 H ALA 26 HN ALA 26 -1.477 -1.069 -2.064 217 HA ALA 26 HA ALA 26 -3.082 -3.524 -1.892 218 1HB ALA 26 HB3 ALA 26 -0.186 -2.848 -2.066 219 2HB ALA 26 HB2 ALA 26 -0.613 -4.403 -1.350 220 3HB ALA 26 HB1 ALA 26 -1.127 -4.017 -2.992 221 H SER 27 HN SER 27 -2.586 -1.244 0.412 222 HA SER 27 HA SER 27 -1.987 -3.174 2.572 223 1HB SER 27 HB2 SER 27 -1.995 -0.211 2.415 224 2HB SER 27 HB1 SER 27 -2.043 -1.012 3.966 225 HG SER 27 HG SER 27 -0.154 -2.192 3.215 226 H VAL 28 HN VAL 28 -4.378 -0.621 1.870 227 HA VAL 28 HA VAL 28 -6.062 -1.343 4.080 228 HB VAL 28 HB VAL 28 -7.400 -0.212 1.678 229 1HG1 VAL 28 HG11 VAL 28 -7.326 0.160 4.652 230 2HG1 VAL 28 HG13 VAL 28 -7.913 1.486 3.649 231 3HG1 VAL 28 HG12 VAL 28 -8.713 -0.084 3.596 232 1HG2 VAL 28 HG22 VAL 28 -4.890 0.877 2.823 233 2HG2 VAL 28 HG21 VAL 28 -5.633 1.180 1.253 234 3HG2 VAL 28 HG23 VAL 28 -6.213 2.033 2.681 235 H ASN 29 HN ASN 29 -8.564 -1.907 3.288 236 HA ASN 29 HA ASN 29 -8.724 -4.634 2.957 237 1HB ASN 29 HB2 ASN 29 -10.541 -2.475 2.806 238 2HB ASN 29 HB1 ASN 29 -10.828 -3.448 1.369 239 1HD2 ASN 29 HD22 ASN 29 -11.221 -6.379 3.808 240 2HD2 ASN 29 HD21 ASN 29 -9.957 -5.987 2.749 241 H ASN 30 HN ASN 30 -9.469 -5.901 0.981 242 HA ASN 30 HA ASN 30 -7.578 -6.052 -1.015 243 1HB ASN 30 HB2 ASN 30 -10.559 -6.528 -1.325 244 2HB ASN 30 HB1 ASN 30 -9.326 -7.103 -2.447 245 1HD2 ASN 30 HD22 ASN 30 -8.997 -10.038 -0.532 246 2HD2 ASN 30 HD21 ASN 30 -9.193 -9.335 -2.065 247 H ASP 31 HN ASP 31 -10.148 -3.684 -0.749 248 HA ASP 31 HA ASP 31 -8.893 -2.126 -2.889 249 1HB ASP 31 HB2 ASP 31 -11.046 -1.914 -4.169 250 2HB ASP 31 HB1 ASP 31 -10.335 -3.527 -4.240 251 H GLU 32 HN GLU 32 -9.742 -1.949 0.069 252 HA GLU 32 HA GLU 32 -11.872 -0.173 0.444 253 1HB GLU 32 HB2 GLU 32 -10.877 -0.787 2.451 254 2HB GLU 32 HB1 GLU 32 -9.242 -0.523 1.849 255 1HG GLU 32 HG2 GLU 32 -9.275 1.698 2.395 256 2HG GLU 32 HG1 GLU 32 -10.971 1.883 1.950 257 H THR 33 HN THR 33 -8.639 1.241 0.700 258 HA THR 33 HA THR 33 -9.488 3.742 -0.435 259 HB THR 33 HB THR 33 -6.621 2.834 -0.400 260 HG1 THR 33 HG1 THR 33 -6.936 3.866 1.863 261 1HG2 THR 33 HG21 THR 33 -8.106 5.433 -0.062 262 2HG2 THR 33 HG23 THR 33 -6.417 5.261 0.413 263 3HG2 THR 33 HG22 THR 33 -6.889 5.019 -1.269 264 H CYS 34 HN CYS 34 -7.702 0.965 -1.730 265 HA CYS 34 HA CYS 34 -6.817 1.619 -4.217 266 1HB CYS 34 HB2 CYS 34 -7.251 -0.714 -3.195 267 2HB CYS 34 HB1 CYS 34 -8.842 -0.601 -3.945 268 H GLU 35 HN GLU 35 -10.206 1.447 -3.271 269 HA GLU 35 HA GLU 35 -11.115 2.175 -5.985 270 1HB GLU 35 HB2 GLU 35 -12.430 0.524 -4.810 271 2HB GLU 35 HB1 GLU 35 -12.619 1.597 -3.423 272 1HG GLU 35 HG2 GLU 35 -13.755 3.242 -4.982 273 2HG GLU 35 HG1 GLU 35 -13.756 1.970 -6.204 274 H GLN 36 HN GLN 36 -12.077 3.498 -2.799 275 HA GLN 36 HA GLN 36 -13.133 5.901 -3.586 276 1HB GLN 36 HB2 GLN 36 -11.300 5.374 -1.236 277 2HB GLN 36 HB1 GLN 36 -12.192 6.881 -1.446 278 1HG GLN 36 HG2 GLN 36 -13.426 4.114 -1.294 279 2HG GLN 36 HG1 GLN 36 -13.436 5.312 0.000 280 1HE2 GLN 36 HE22 GLN 36 -16.464 5.456 -2.473 281 2HE2 GLN 36 HE21 GLN 36 -15.584 4.079 -2.012 282 H ARG 37 HN ARG 37 -9.757 5.034 -3.741 283 HA ARG 37 HA ARG 37 -9.042 7.805 -4.487 284 1HB ARG 37 HB2 ARG 37 -7.502 5.408 -3.572 285 2HB ARG 37 HB1 ARG 37 -6.668 6.653 -4.495 286 1HG ARG 37 HG2 ARG 37 -8.304 7.176 -1.995 287 2HG ARG 37 HG1 ARG 37 -6.549 7.014 -2.017 288 1HD ARG 37 HD2 ARG 37 -6.236 9.055 -3.022 289 2HD ARG 37 HD1 ARG 37 -7.737 8.955 -3.937 290 HE ARG 37 HE ARG 37 -8.568 9.210 -1.301 291 1HH1 ARG 37 HH21 ARG 37 -6.487 10.921 -3.460 292 2HH1 ARG 37 HH22 ARG 37 -6.782 12.460 -2.726 293 1HH2 ARG 37 HH12 ARG 37 -8.960 11.216 -0.339 294 2HH2 ARG 37 HH11 ARG 37 -8.178 12.629 -0.966 295 H ALA 38 HN ALA 38 -8.866 4.450 -5.801 296 HA ALA 38 HA ALA 38 -7.747 5.406 -8.319 297 1HB ALA 38 HB3 ALA 38 -7.468 3.060 -7.424 298 2HB ALA 38 HB2 ALA 38 -9.162 2.775 -7.823 299 3HB ALA 38 HB1 ALA 38 -8.003 3.143 -9.101 300 H ALA 39 HN ALA 39 -10.711 5.920 -7.028 301 HA ALA 39 HA ALA 39 -12.027 5.872 -9.714 302 1HB ALA 39 HB3 ALA 39 -13.165 5.382 -6.956 303 2HB ALA 39 HB2 ALA 39 -14.191 5.799 -8.329 304 3HB ALA 39 HB1 ALA 39 -13.229 4.320 -8.363 305 H ARG 40 HN ARG 40 -12.465 7.464 -6.530 306 HA ARG 40 HA ARG 40 -13.418 9.909 -7.799 307 1HB ARG 40 HB2 ARG 40 -13.388 8.802 -5.167 308 2HB ARG 40 HB1 ARG 40 -12.587 10.373 -5.098 309 1HG ARG 40 HG2 ARG 40 -14.683 11.017 -6.673 310 2HG ARG 40 HG1 ARG 40 -15.416 9.717 -5.732 311 1HD ARG 40 HD2 ARG 40 -13.870 11.937 -4.397 312 2HD ARG 40 HD1 ARG 40 -15.585 12.108 -4.772 313 HE ARG 40 HE ARG 40 -15.445 9.691 -3.430 314 1HH1 ARG 40 HH21 ARG 40 -14.393 12.930 -2.853 315 2HH1 ARG 40 HH22 ARG 40 -14.549 12.812 -1.132 316 1HH2 ARG 40 HH12 ARG 40 -15.653 9.526 -1.188 317 2HH2 ARG 40 HH11 ARG 40 -15.261 10.887 -0.192 318 H ILE 41 HN ILE 41 -11.521 10.280 -9.195 319 HA ILE 41 HA ILE 41 -9.173 11.360 -7.686 320 HB ILE 41 HB ILE 41 -9.399 10.147 -10.450 321 1HG1 ILE 41 HG12 ILE 41 -7.468 9.446 -8.241 322 2HG1 ILE 41 HG11 ILE 41 -9.100 8.775 -8.262 323 1HG2 ILE 41 HG23 ILE 41 -7.097 11.653 -9.177 324 2HG2 ILE 41 HG22 ILE 41 -6.953 10.666 -10.632 325 3HG2 ILE 41 HG21 ILE 41 -7.971 12.107 -10.640 326 1HD1 ILE 41 HD12 ILE 41 -8.522 8.195 -10.762 327 2HD1 ILE 41 HD11 ILE 41 -6.855 8.345 -10.207 328 3HD1 ILE 41 HD13 ILE 41 -7.928 7.158 -9.465 329 H SER 42 HN SER 42 -10.150 13.474 -7.448 330 HA SER 42 HA SER 42 -11.292 14.984 -9.575 331 1HB SER 42 HB2 SER 42 -10.148 16.912 -8.022 332 2HB SER 42 HB1 SER 42 -11.676 16.126 -7.638 333 HG SER 42 HG SER 42 -9.088 15.322 -6.777 334 H LEU 43 HN LEU 43 -7.949 14.937 -8.337 335 HA LEU 43 HA LEU 43 -7.035 15.729 -11.049 336 1HB LEU 43 HB2 LEU 43 -5.668 17.510 -10.294 337 2HB LEU 43 HB1 LEU 43 -7.210 17.757 -9.486 338 HG LEU 43 HG LEU 43 -5.631 18.074 -7.772 339 1HD1 LEU 43 HD13 LEU 43 -7.423 16.358 -7.246 340 2HD1 LEU 43 HD12 LEU 43 -6.202 15.116 -7.525 341 3HD1 LEU 43 HD11 LEU 43 -5.986 16.288 -6.226 342 1HD2 LEU 43 HD23 LEU 43 -3.903 16.708 -9.403 343 2HD2 LEU 43 HD22 LEU 43 -3.538 17.197 -7.748 344 3HD2 LEU 43 HD21 LEU 43 -4.116 15.564 -8.077 345 H GLY 44 HN GLY 44 -6.916 13.466 -8.781 346 1HA GLY 44 HA2 GLY 44 -5.435 11.732 -8.314 347 2HA GLY 44 HA1 GLY 44 -4.564 12.193 -9.766 348 HA PRO 45 HA PRO 45 -2.954 14.841 -5.823 349 1HB PRO 45 HB2 PRO 45 -3.026 12.752 -3.847 350 2HB PRO 45 HB1 PRO 45 -3.794 14.341 -3.787 351 1HG PRO 45 HG2 PRO 45 -5.017 11.769 -4.228 352 2HG PRO 45 HG1 PRO 45 -5.794 13.342 -4.029 353 1HD PRO 45 HD2 PRO 45 -5.698 11.840 -6.386 354 2HD PRO 45 HD1 PRO 45 -6.155 13.543 -6.253 355 H ARG 46 HN ARG 46 -2.552 11.291 -5.476 356 HA ARG 46 HA ARG 46 -0.124 11.122 -6.939 357 1HB ARG 46 HB2 ARG 46 0.364 12.587 -4.724 358 2HB ARG 46 HB1 ARG 46 0.614 10.970 -4.064 359 1HG ARG 46 HG2 ARG 46 2.720 11.240 -4.904 360 2HG ARG 46 HG1 ARG 46 1.957 10.743 -6.414 361 1HD ARG 46 HD2 ARG 46 1.592 13.590 -5.911 362 2HD ARG 46 HD1 ARG 46 3.299 13.149 -5.965 363 HE ARG 46 HE ARG 46 2.215 11.875 -8.174 364 1HH1 ARG 46 HH21 ARG 46 2.256 15.088 -6.908 365 2HH1 ARG 46 HH22 ARG 46 2.171 15.840 -8.465 366 1HH2 ARG 46 HH12 ARG 46 2.102 12.846 -10.210 367 2HH2 ARG 46 HH11 ARG 46 2.084 14.573 -10.331 368 H CYS 47 HN CYS 47 -1.421 9.916 -3.809 369 HA CYS 47 HA CYS 47 -0.473 7.271 -4.226 370 1HB CYS 47 HB2 CYS 47 -2.954 7.809 -2.603 371 2HB CYS 47 HB1 CYS 47 -1.727 6.606 -2.321 372 H ILE 48 HN ILE 48 -3.388 8.849 -5.411 373 HA ILE 48 HA ILE 48 -4.684 6.366 -5.984 374 HB ILE 48 HB ILE 48 -6.119 7.667 -7.503 375 1HG1 ILE 48 HG12 ILE 48 -5.535 10.256 -7.377 376 2HG1 ILE 48 HG11 ILE 48 -3.890 9.646 -7.281 377 1HG2 ILE 48 HG22 ILE 48 -5.632 8.240 -4.737 378 2HG2 ILE 48 HG21 ILE 48 -6.133 9.721 -5.554 379 3HG2 ILE 48 HG23 ILE 48 -7.158 8.289 -5.616 380 1HD1 ILE 48 HD11 ILE 48 -5.025 8.111 -9.300 381 2HD1 ILE 48 HD13 ILE 48 -5.715 9.712 -9.566 382 3HD1 ILE 48 HD12 ILE 48 -3.964 9.499 -9.538 383 H LYS 49 HN LYS 49 -2.819 8.529 -8.213 384 HA LYS 49 HA LYS 49 -2.841 6.668 -10.371 385 1HB LYS 49 HB2 LYS 49 -2.026 9.162 -10.268 386 2HB LYS 49 HB1 LYS 49 -0.469 8.442 -9.857 387 1HG LYS 49 HG2 LYS 49 -1.238 6.882 -11.972 388 2HG LYS 49 HG1 LYS 49 -1.917 8.445 -12.427 389 1HD LYS 49 HD2 LYS 49 0.970 7.853 -11.721 390 2HD LYS 49 HD1 LYS 49 0.340 8.332 -13.298 391 1HE LYS 49 HE2 LYS 49 -0.582 10.407 -11.924 392 2HE LYS 49 HE1 LYS 49 0.739 9.985 -10.834 393 1HZ LYS 49 HZ3 LYS 49 2.090 9.886 -13.029 394 2HZ LYS 49 HZ2 LYS 49 0.849 10.879 -13.631 395 3HZ LYS 49 HZ1 LYS 49 1.776 11.385 -12.301 396 H ALA 50 HN ALA 50 -0.116 7.352 -8.136 397 HA ALA 50 HA ALA 50 1.540 5.184 -8.832 398 1HB ALA 50 HB3 ALA 50 2.149 6.954 -7.169 399 2HB ALA 50 HB2 ALA 50 1.045 6.200 -6.020 400 3HB ALA 50 HB1 ALA 50 2.466 5.323 -6.580 401 H PHE 51 HN PHE 51 -0.600 5.296 -6.053 402 HA PHE 51 HA PHE 51 -0.366 2.526 -5.615 403 1HB PHE 51 HB2 PHE 51 -1.257 3.058 -3.678 404 2HB PHE 51 HB1 PHE 51 -1.269 4.710 -4.185 405 HD1 PHE 51 HD1 PHE 51 -3.630 4.324 -6.226 406 HD2 PHE 51 HD2 PHE 51 -3.039 3.183 -2.158 407 HE1 PHE 51 HE1 PHE 51 -6.073 4.262 -5.885 408 HE2 PHE 51 HE2 PHE 51 -5.481 3.135 -1.812 409 HZ PHE 51 HZ PHE 51 -7.003 3.671 -3.679 410 H THR 52 HN THR 52 -2.137 4.062 -8.024 411 HA THR 52 HA THR 52 -4.424 2.211 -8.003 412 HB THR 52 HB THR 52 -3.512 4.438 -9.810 413 HG1 THR 52 HG1 THR 52 -6.118 3.805 -8.964 414 1HG2 THR 52 HG22 THR 52 -5.555 2.331 -10.578 415 2HG2 THR 52 HG21 THR 52 -5.246 3.826 -11.461 416 3HG2 THR 52 HG23 THR 52 -3.997 2.585 -11.363 417 H GLU 53 HN GLU 53 -1.436 2.724 -9.862 418 HA GLU 53 HA GLU 53 -1.859 0.267 -11.411 419 1HB GLU 53 HB2 GLU 53 -0.188 2.491 -11.649 420 2HB GLU 53 HB1 GLU 53 0.911 1.186 -11.202 421 1HG GLU 53 HG2 GLU 53 0.572 0.047 -13.158 422 2HG GLU 53 HG1 GLU 53 -1.126 0.516 -13.253 423 H CYS 54 HN CYS 54 -0.357 1.213 -8.416 424 HA CYS 54 HA CYS 54 1.116 -1.274 -8.039 425 1HB CYS 54 HB2 CYS 54 2.041 0.558 -6.932 426 2HB CYS 54 HB1 CYS 54 0.481 1.141 -6.347 427 H CYS 55 HN CYS 55 -2.027 -0.002 -7.042 428 HA CYS 55 HA CYS 55 -2.579 -2.253 -5.273 429 1HB CYS 55 HB2 CYS 55 -3.738 -0.148 -4.840 430 2HB CYS 55 HB1 CYS 55 -4.444 -0.148 -6.451 431 H VAL 56 HN VAL 56 -3.530 -1.273 -8.552 432 HA VAL 56 HA VAL 56 -5.203 -3.514 -9.110 433 HB VAL 56 HB VAL 56 -4.814 -2.955 -11.492 434 1HG1 VAL 56 HG11 VAL 56 -5.262 -0.698 -9.535 435 2HG1 VAL 56 HG13 VAL 56 -5.405 -0.457 -11.276 436 3HG1 VAL 56 HG12 VAL 56 -6.466 -1.601 -10.454 437 1HG2 VAL 56 HG22 VAL 56 -2.590 -1.323 -10.273 438 2HG2 VAL 56 HG21 VAL 56 -2.521 -2.430 -11.644 439 3HG2 VAL 56 HG23 VAL 56 -3.302 -0.859 -11.818 440 H VAL 57 HN VAL 57 -1.717 -2.956 -9.793 441 HA VAL 57 HA VAL 57 -1.244 -5.531 -10.924 442 HB VAL 57 HB VAL 57 0.463 -3.826 -11.094 443 1HG1 VAL 57 HG12 VAL 57 -0.268 -3.045 -8.620 444 2HG1 VAL 57 HG11 VAL 57 1.179 -3.965 -8.208 445 3HG1 VAL 57 HG13 VAL 57 1.284 -2.608 -9.331 446 1HG2 VAL 57 HG22 VAL 57 0.959 -6.437 -10.376 447 2HG2 VAL 57 HG21 VAL 57 2.190 -5.295 -10.915 448 3HG2 VAL 57 HG23 VAL 57 1.913 -5.545 -9.191 449 H ALA 58 HN ALA 58 -0.856 -4.424 -7.538 450 HA ALA 58 HA ALA 58 -0.012 -6.777 -6.333 451 1HB ALA 58 HB3 ALA 58 -0.581 -4.470 -5.282 452 2HB ALA 58 HB2 ALA 58 -2.199 -5.139 -5.072 453 3HB ALA 58 HB1 ALA 58 -0.816 -5.914 -4.299 454 H SER 59 HN SER 59 -3.439 -5.860 -6.752 455 HA SER 59 HA SER 59 -4.470 -8.390 -5.883 456 1HB SER 59 HB2 SER 59 -6.108 -7.049 -7.902 457 2HB SER 59 HB1 SER 59 -6.480 -7.405 -6.217 458 HG SER 59 HG SER 59 -5.691 -5.505 -5.625 459 H GLN 60 HN GLN 60 -4.584 -7.075 -9.165 460 HA GLN 60 HA GLN 60 -5.295 -9.091 -10.743 461 1HB GLN 60 HB2 GLN 60 -2.820 -7.403 -11.171 462 2HB GLN 60 HB1 GLN 60 -3.562 -8.395 -12.428 463 1HG GLN 60 HG2 GLN 60 -5.570 -7.117 -12.396 464 2HG GLN 60 HG1 GLN 60 -5.136 -6.333 -10.877 465 1HE2 GLN 60 HE22 GLN 60 -4.360 -4.002 -13.732 466 2HE2 GLN 60 HE21 GLN 60 -5.769 -4.799 -13.221 467 H LEU 61 HN LEU 61 -1.859 -8.971 -9.601 468 HA LEU 61 HA LEU 61 -1.503 -11.692 -10.616 469 1HB LEU 61 HB2 LEU 61 0.452 -10.938 -8.619 470 2HB LEU 61 HB1 LEU 61 0.696 -11.423 -10.287 471 HG LEU 61 HG LEU 61 0.245 -8.693 -9.158 472 1HD1 LEU 61 HD13 LEU 61 2.539 -9.541 -9.352 473 2HD1 LEU 61 HD12 LEU 61 2.278 -9.858 -11.066 474 3HD1 LEU 61 HD11 LEU 61 2.270 -8.199 -10.466 475 1HD2 LEU 61 HD21 LEU 61 -0.785 -9.710 -11.664 476 2HD2 LEU 61 HD23 LEU 61 -0.929 -8.080 -11.007 477 3HD2 LEU 61 HD22 LEU 61 0.474 -8.517 -11.982 478 H ARG 62 HN ARG 62 -1.700 -10.257 -7.352 479 HA ARG 62 HA ARG 62 -1.410 -12.405 -5.721 480 1HB ARG 62 HB2 ARG 62 -3.603 -10.325 -5.678 481 2HB ARG 62 HB1 ARG 62 -3.477 -11.550 -4.415 482 1HG ARG 62 HG2 ARG 62 -1.048 -9.957 -5.176 483 2HG ARG 62 HG1 ARG 62 -2.254 -9.246 -4.105 484 1HD ARG 62 HD2 ARG 62 -1.118 -11.994 -3.592 485 2HD ARG 62 HD1 ARG 62 -0.315 -10.541 -2.999 486 HE ARG 62 HE ARG 62 -2.930 -10.245 -2.136 487 1HH1 ARG 62 HH21 ARG 62 -0.487 -12.679 -1.923 488 2HH1 ARG 62 HH22 ARG 62 -1.032 -13.273 -0.392 489 1HH2 ARG 62 HH12 ARG 62 -3.647 -11.013 -0.137 490 2HH2 ARG 62 HH11 ARG 62 -2.818 -12.333 0.619 491 H ALA 63 HN ALA 63 -4.153 -11.921 -7.904 492 HA ALA 63 HA ALA 63 -5.660 -14.214 -7.038 493 1HB ALA 63 HB1 ALA 63 -5.942 -12.237 -9.015 494 2HB ALA 63 HB3 ALA 63 -5.802 -13.748 -9.914 495 3HB ALA 63 HB2 ALA 63 -7.065 -13.560 -8.696 496 H ASN 64 HN ASN 64 -3.462 -13.775 -9.826 497 HA ASN 64 HA ASN 64 -2.520 -16.577 -9.409 498 1HB ASN 64 HB2 ASN 64 -3.859 -15.439 -11.799 499 2HB ASN 64 HB1 ASN 64 -2.413 -16.397 -12.118 500 1HD2 ASN 64 HD22 ASN 64 -4.729 -19.122 -12.051 501 2HD2 ASN 64 HD21 ASN 64 -3.872 -18.075 -13.076 502 H ILE 65 HN ILE 65 -0.887 -14.810 -8.398 503 HA ILE 65 HA ILE 65 0.769 -13.264 -10.123 504 HB ILE 65 HB ILE 65 2.289 -14.500 -7.930 505 1HG1 ILE 65 HG12 ILE 65 -0.340 -13.118 -7.367 506 2HG1 ILE 65 HG11 ILE 65 0.153 -14.722 -6.828 507 1HG2 ILE 65 HG23 ILE 65 2.070 -12.015 -9.295 508 2HG2 ILE 65 HG22 ILE 65 1.693 -11.699 -7.602 509 3HG2 ILE 65 HG21 ILE 65 3.224 -12.447 -8.038 510 1HD1 ILE 65 HD13 ILE 65 2.187 -13.017 -5.933 511 2HD1 ILE 65 HD12 ILE 65 0.693 -12.137 -5.613 512 3HD1 ILE 65 HD11 ILE 65 0.924 -13.752 -4.944 513 H SER 66 HN SER 66 1.383 -14.325 -11.999 514 HA SER 66 HA SER 66 3.643 -16.134 -11.802 515 1HB SER 66 HB2 SER 66 2.488 -17.998 -13.078 516 2HB SER 66 HB1 SER 66 1.979 -17.824 -11.401 517 HG SER 66 HG SER 66 0.072 -17.752 -12.324 518 H HIS 67 HN HIS 67 0.971 -15.380 -14.075 519 HA HIS 67 HA HIS 67 2.336 -15.484 -16.479 520 1HB HIS 67 HB2 HIS 67 0.179 -13.644 -15.482 521 2HB HIS 67 HB1 HIS 67 0.863 -13.402 -17.090 522 HD1 HIS 67 HD1 HIS 67 -1.277 -15.732 -15.101 523 HD2 HIS 67 HD2 HIS 67 0.336 -15.537 -18.940 524 HE1 HIS 67 HE1 HIS 67 -2.449 -17.517 -16.463 525 H LYS 68 HN LYS 68 1.963 -12.431 -14.667 526 HA LYS 68 HA LYS 68 4.794 -11.787 -15.030 527 1HB LYS 68 HB2 LYS 68 3.105 -11.108 -17.124 528 2HB LYS 68 HB1 LYS 68 3.183 -9.624 -16.173 529 1HG LYS 68 HG2 LYS 68 5.764 -10.127 -16.123 530 2HG LYS 68 HG1 LYS 68 5.404 -11.109 -17.544 531 1HD LYS 68 HD2 LYS 68 4.008 -8.745 -18.006 532 2HD LYS 68 HD1 LYS 68 5.526 -8.203 -17.291 533 1HE LYS 68 HE2 LYS 68 5.939 -8.342 -19.638 534 2HE LYS 68 HE1 LYS 68 6.699 -9.770 -18.936 535 1HZ LYS 68 HZ2 LYS 68 3.935 -9.791 -19.998 536 2HZ LYS 68 HZ1 LYS 68 5.286 -10.154 -20.961 537 3HZ LYS 68 HZ3 LYS 68 4.921 -11.122 -19.617 538 H ASP 69 HN ASP 69 4.290 -8.903 -14.788 539 HA ASP 69 HA ASP 69 2.642 -8.556 -12.390 540 1HB ASP 69 HB2 ASP 69 4.480 -7.878 -10.924 541 2HB ASP 69 HB1 ASP 69 4.749 -9.531 -11.477 542 H MET 70 HN MET 70 1.689 -6.633 -12.833 543 HA MET 70 HA MET 70 2.875 -4.714 -14.661 544 1HB MET 70 HB2 MET 70 0.311 -5.231 -13.760 545 2HB MET 70 HB1 MET 70 0.710 -3.718 -12.945 546 1HG MET 70 HG2 MET 70 0.356 -2.602 -14.864 547 2HG MET 70 HG1 MET 70 1.657 -3.517 -15.625 548 1HE MET 70 HE1 MET 70 -1.700 -3.009 -14.644 549 2HE MET 70 HE3 MET 70 -2.293 -2.911 -16.307 550 3HE MET 70 HE2 MET 70 -2.736 -4.280 -15.290 551 H CYS 71 HN CYS 71 1.974 -2.350 -13.115 552 HA CYS 71 HA CYS 71 4.346 -1.408 -12.055 553 1HB CYS 71 HB2 CYS 71 1.472 -0.802 -11.519 554 2HB CYS 71 HB1 CYS 71 2.658 -0.118 -10.403 555 1H CYS 72 HN3 CYS 72 3.724 4.281 -11.916 556 2H CYS 72 HN2 CYS 72 2.290 3.374 -12.008 557 3H CYS 72 HN1 CYS 72 2.256 4.966 -11.415 558 HA CYS 72 HA CYS 72 2.098 3.495 -9.559 559 1HB CYS 72 HB2 CYS 72 4.500 2.196 -9.373 560 2HB CYS 72 HB1 CYS 72 2.973 1.464 -9.831 561 H LEU 73 HN LEU 73 5.532 3.920 -10.387 562 HA LEU 73 HA LEU 73 6.377 4.984 -7.979 563 1HB LEU 73 HB2 LEU 73 8.286 5.878 -9.139 564 2HB LEU 73 HB1 LEU 73 7.820 4.396 -9.976 565 HG LEU 73 HG LEU 73 6.283 6.351 -11.219 566 1HD1 LEU 73 HD13 LEU 73 8.308 7.724 -9.888 567 2HD1 LEU 73 HD12 LEU 73 8.931 7.547 -11.528 568 3HD1 LEU 73 HD11 LEU 73 7.375 8.330 -11.256 569 1HD2 LEU 73 HD22 LEU 73 8.252 4.432 -11.855 570 2HD2 LEU 73 HD21 LEU 73 7.210 5.296 -12.985 571 3HD2 LEU 73 HD23 LEU 73 8.803 5.939 -12.587 572 H GLY 74 HN GLY 74 7.231 7.416 -7.810 573 1HA GLY 74 HA2 GLY 74 5.341 9.373 -8.935 574 2HA GLY 74 HA1 GLY 74 5.252 9.159 -7.188 575 1HN DAR 75 HN ARG 75 5.947 11.637 -8.053 576 HA DAR 75 HA ARG 75 8.716 12.113 -8.513 577 1HB DAR 75 HB1 ARG 75 8.472 11.038 -6.051 578 2HB DAR 75 HB2 ARG 75 8.182 12.731 -5.651 579 1HG DAR 75 HG1 ARG 75 10.302 13.170 -7.126 580 2HG DAR 75 HG2 ARG 75 10.635 11.460 -6.848 581 1HD DAR 75 HD1 ARG 75 11.298 11.852 -4.725 582 2HD DAR 75 HD2 ARG 75 9.855 12.806 -4.394 583 HNE DAR 75 HE ARG 75 11.230 14.674 -4.516 584 1HH1 DAR 75 HH11 ARG 75 12.654 16.061 -5.557 585 2HH1 DAR 75 HH12 ARG 75 13.629 15.468 -6.861 586 1HH2 DAR 75 HH21 ARG 75 12.385 12.245 -6.698 587 2HH2 DAR 75 HH22 ARG 75 13.468 13.320 -7.508 No H/Q in entry = 587 Start of MODEL 5 1 1H MET 1 HN1 MET 1 9.912 -11.757 7.136 2 2H MET 1 HN3 MET 1 8.888 -10.796 8.086 3 3H MET 1 HN2 MET 1 8.228 -11.959 7.038 4 HA MET 1 HA MET 1 8.109 -10.478 5.419 5 1HB MET 1 HB2 MET 1 8.859 -8.920 7.758 6 2HB MET 1 HB1 MET 1 9.472 -8.183 6.276 7 1HG MET 1 HG2 MET 1 6.979 -8.839 5.458 8 2HG MET 1 HG1 MET 1 6.669 -8.577 7.174 9 1HE MET 1 HE2 MET 1 6.917 -6.813 8.427 10 2HE MET 1 HE1 MET 1 7.060 -5.117 7.972 11 3HE MET 1 HE3 MET 1 5.591 -6.021 7.579 12 H LEU 2 HN LEU 2 10.114 -12.241 4.992 13 HA LEU 2 HA LEU 2 12.349 -10.543 3.949 14 1HB LEU 2 HB2 LEU 2 12.544 -12.631 5.765 15 2HB LEU 2 HB1 LEU 2 12.938 -13.400 4.228 16 HG LEU 2 HG LEU 2 14.228 -10.837 4.341 17 1HD1 LEU 2 HD13 LEU 2 14.014 -11.154 6.810 18 2HD1 LEU 2 HD12 LEU 2 14.875 -12.686 6.656 19 3HD1 LEU 2 HD11 LEU 2 15.691 -11.172 6.264 20 1HD2 LEU 2 HD21 LEU 2 14.707 -13.364 3.359 21 2HD2 LEU 2 HD23 LEU 2 15.897 -12.064 3.401 22 3HD2 LEU 2 HD22 LEU 2 15.858 -13.266 4.690 23 H GLN 3 HN GLN 3 9.766 -12.604 3.171 24 HA GLN 3 HA GLN 3 10.845 -12.908 0.399 25 1HB GLN 3 HB2 GLN 3 9.798 -15.075 0.218 26 2HB GLN 3 HB1 GLN 3 10.765 -15.081 1.693 27 1HG GLN 3 HG2 GLN 3 8.219 -14.066 2.407 28 2HG GLN 3 HG1 GLN 3 7.928 -15.488 1.405 29 1HE2 GLN 3 HE22 GLN 3 9.532 -15.929 5.122 30 2HE2 GLN 3 HE21 GLN 3 9.239 -14.385 4.481 31 H LYS 4 HN LYS 4 9.406 -10.676 0.997 32 HA LYS 4 HA LYS 4 6.546 -11.128 0.546 33 1HB LYS 4 HB2 LYS 4 6.466 -8.623 0.454 34 2HB LYS 4 HB1 LYS 4 7.202 -9.245 1.931 35 1HG LYS 4 HG2 LYS 4 9.290 -9.019 0.030 36 2HG LYS 4 HG1 LYS 4 8.364 -7.521 -0.062 37 1HD LYS 4 HD2 LYS 4 8.854 -8.492 2.683 38 2HD LYS 4 HD1 LYS 4 10.306 -8.011 1.803 39 1HE LYS 4 HE2 LYS 4 9.007 -5.881 1.167 40 2HE LYS 4 HE1 LYS 4 7.867 -6.345 2.429 41 1HZ LYS 4 HZ1 LYS 4 9.923 -6.544 3.895 42 2HZ LYS 4 HZ3 LYS 4 10.726 -5.655 2.695 43 3HZ LYS 4 HZ2 LYS 4 9.392 -4.979 3.501 44 H LYS 5 HN LYS 5 5.873 -9.133 -1.253 45 HA LYS 5 HA LYS 5 7.396 -9.723 -3.738 46 1HB LYS 5 HB2 LYS 5 4.415 -10.150 -3.375 47 2HB LYS 5 HB1 LYS 5 5.238 -10.164 -4.935 48 1HG LYS 5 HG2 LYS 5 6.118 -12.230 -4.587 49 2HG LYS 5 HG1 LYS 5 6.490 -11.886 -2.897 50 1HD LYS 5 HD2 LYS 5 3.826 -11.964 -2.688 51 2HD LYS 5 HD1 LYS 5 4.000 -13.010 -4.099 52 1HE LYS 5 HE2 LYS 5 5.477 -14.498 -2.903 53 2HE LYS 5 HE1 LYS 5 5.562 -13.393 -1.532 54 1HZ LYS 5 HZ2 LYS 5 2.872 -14.069 -2.216 55 2HZ LYS 5 HZ1 LYS 5 3.792 -15.445 -1.836 56 3HZ LYS 5 HZ3 LYS 5 3.666 -14.176 -0.718 57 H ILE 6 HN ILE 6 4.182 -8.338 -3.768 58 HA ILE 6 HA ILE 6 5.080 -5.947 -5.053 59 HB ILE 6 HB ILE 6 2.503 -6.927 -3.901 60 1HG1 ILE 6 HG12 ILE 6 3.364 -7.244 -6.299 61 2HG1 ILE 6 HG11 ILE 6 1.730 -6.604 -6.133 62 1HG2 ILE 6 HG21 ILE 6 2.668 -4.598 -3.038 63 2HG2 ILE 6 HG23 ILE 6 2.943 -4.028 -4.684 64 3HG2 ILE 6 HG22 ILE 6 1.401 -4.766 -4.252 65 1HD1 ILE 6 HD12 ILE 6 3.890 -4.573 -6.182 66 2HD1 ILE 6 HD11 ILE 6 3.636 -5.451 -7.692 67 3HD1 ILE 6 HD13 ILE 6 2.306 -4.554 -6.960 68 H GLU 7 HN GLU 7 5.223 -6.891 -1.789 69 HA GLU 7 HA GLU 7 4.761 -4.513 -0.357 70 1HB GLU 7 HB2 GLU 7 6.626 -6.835 0.008 71 2HB GLU 7 HB1 GLU 7 6.767 -5.442 1.075 72 1HG GLU 7 HG2 GLU 7 4.271 -5.651 1.500 73 2HG GLU 7 HG1 GLU 7 4.341 -7.200 0.657 74 H GLU 8 HN GLU 8 8.006 -5.624 -1.424 75 HA GLU 8 HA GLU 8 9.141 -2.986 -1.104 76 1HB GLU 8 HB2 GLU 8 11.042 -3.969 -2.488 77 2HB GLU 8 HB1 GLU 8 10.640 -4.887 -1.036 78 1HG GLU 8 HG2 GLU 8 8.976 -5.798 -3.191 79 2HG GLU 8 HG1 GLU 8 10.657 -5.812 -3.726 80 H ILE 9 HN ILE 9 7.473 -4.645 -3.718 81 HA ILE 9 HA ILE 9 8.247 -3.031 -5.912 82 HB ILE 9 HB ILE 9 5.509 -4.135 -5.182 83 1HG1 ILE 9 HG12 ILE 9 7.397 -5.759 -5.587 84 2HG1 ILE 9 HG11 ILE 9 6.063 -5.917 -6.729 85 1HG2 ILE 9 HG21 ILE 9 6.487 -2.567 -7.538 86 2HG2 ILE 9 HG23 ILE 9 5.317 -3.857 -7.815 87 3HG2 ILE 9 HG22 ILE 9 4.917 -2.520 -6.737 88 1HD1 ILE 9 HD12 ILE 9 7.638 -4.063 -7.996 89 2HD1 ILE 9 HD11 ILE 9 8.849 -5.064 -7.197 90 3HD1 ILE 9 HD13 ILE 9 7.695 -5.795 -8.309 91 H ALA 10 HN ALA 10 6.238 -2.475 -3.131 92 HA ALA 10 HA ALA 10 5.419 0.227 -3.966 93 1HB ALA 10 HB2 ALA 10 3.957 -1.251 -2.529 94 2HB ALA 10 HB1 ALA 10 5.167 -1.123 -1.254 95 3HB ALA 10 HB3 ALA 10 4.304 0.315 -1.797 96 H ALA 11 HN ALA 11 7.767 -1.403 -1.932 97 HA ALA 11 HA ALA 11 8.768 0.782 -0.465 98 1HB ALA 11 HB1 ALA 11 10.289 -1.584 -1.561 99 2HB ALA 11 HB3 ALA 11 10.877 -0.492 -0.309 100 3HB ALA 11 HB2 ALA 11 9.470 -1.508 -0.001 101 H LYS 12 HN LYS 12 9.054 0.033 -3.839 102 HA LYS 12 HA LYS 12 11.348 1.873 -4.172 103 1HB LYS 12 HB2 LYS 12 11.745 0.838 -6.180 104 2HB LYS 12 HB1 LYS 12 10.826 -0.451 -5.411 105 1HG LYS 12 HG2 LYS 12 8.758 0.822 -6.450 106 2HG LYS 12 HG1 LYS 12 9.973 1.457 -7.559 107 1HD LYS 12 HD2 LYS 12 10.689 -1.114 -7.648 108 2HD LYS 12 HD1 LYS 12 8.995 -1.343 -7.216 109 1HE LYS 12 HE2 LYS 12 10.174 -0.152 -9.699 110 2HE LYS 12 HE1 LYS 12 8.830 -1.280 -9.531 111 1HZ LYS 12 HZ3 LYS 12 7.744 0.727 -8.310 112 2HZ LYS 12 HZ2 LYS 12 8.864 1.636 -9.207 113 3HZ LYS 12 HZ1 LYS 12 7.732 0.651 -10.004 114 H TYR 13 HN TYR 13 7.923 1.996 -4.337 115 HA TYR 13 HA TYR 13 7.613 3.986 -6.375 116 1HB TYR 13 HB2 TYR 13 5.929 3.201 -3.979 117 2HB TYR 13 HB1 TYR 13 5.461 4.538 -5.016 118 HD1 TYR 13 HD1 TYR 13 7.103 1.334 -5.845 119 HD2 TYR 13 HD2 TYR 13 3.578 3.753 -6.332 120 HE1 TYR 13 HE1 TYR 13 6.238 -0.281 -7.490 121 HE2 TYR 13 HE2 TYR 13 2.738 2.150 -7.986 122 HH TYR 13 HH TYR 13 2.981 -0.049 -8.719 123 H LYS 14 HN LYS 14 9.149 5.566 -6.181 124 HA LYS 14 HA LYS 14 10.592 6.994 -4.745 125 1HB LYS 14 HB2 LYS 14 8.703 7.954 -6.522 126 2HB LYS 14 HB1 LYS 14 8.432 8.928 -5.076 127 1HG LYS 14 HG2 LYS 14 10.124 10.162 -6.052 128 2HG LYS 14 HG1 LYS 14 11.093 9.044 -5.092 129 1HD LYS 14 HD2 LYS 14 11.360 7.569 -7.033 130 2HD LYS 14 HD1 LYS 14 10.343 8.635 -8.002 131 1HE LYS 14 HE2 LYS 14 12.469 9.384 -8.593 132 2HE LYS 14 HE1 LYS 14 12.078 10.475 -7.264 133 1HZ LYS 14 HZ3 LYS 14 13.275 7.982 -6.444 134 2HZ LYS 14 HZ2 LYS 14 14.290 8.955 -7.398 135 3HZ LYS 14 HZ1 LYS 14 13.629 9.568 -5.958 136 H HIS 15 HN HIS 15 10.904 6.980 -2.602 137 HA HIS 15 HA HIS 15 9.184 6.620 -0.510 138 1HB HIS 15 HB2 HIS 15 10.744 8.530 0.630 139 2HB HIS 15 HB1 HIS 15 11.272 6.871 0.368 140 HD1 HIS 15 HD1 HIS 15 13.746 7.588 0.034 141 HD2 HIS 15 HD2 HIS 15 11.130 9.307 -2.720 142 HE1 HIS 15 HE1 HIS 15 15.185 8.609 -1.781 143 H SER 16 HN SER 16 10.165 9.965 -1.257 144 HA SER 16 HA SER 16 8.837 11.801 -0.187 145 1HB SER 16 HB2 SER 16 7.419 12.246 -2.485 146 2HB SER 16 HB1 SER 16 9.113 12.667 -2.256 147 HG SER 16 HG SER 16 9.462 11.310 -3.815 148 H VAL 17 HN VAL 17 6.453 10.363 -2.376 149 HA VAL 17 HA VAL 17 4.631 9.943 -0.063 150 HB VAL 17 HB VAL 17 4.151 11.749 -2.434 151 1HG1 VAL 17 HG11 VAL 17 2.223 10.024 -0.978 152 2HG1 VAL 17 HG13 VAL 17 1.737 11.705 -1.200 153 3HG1 VAL 17 HG12 VAL 17 2.121 10.705 -2.602 154 1HG2 VAL 17 HG23 VAL 17 3.669 12.019 0.550 155 2HG2 VAL 17 HG22 VAL 17 5.010 12.736 -0.341 156 3HG2 VAL 17 HG21 VAL 17 3.358 13.270 -0.653 157 H VAL 18 HN VAL 18 5.024 9.642 -3.597 158 HA VAL 18 HA VAL 18 3.080 7.762 -4.202 159 HB VAL 18 HB VAL 18 4.598 8.648 -5.894 160 1HG1 VAL 18 HG13 VAL 18 6.640 6.981 -4.412 161 2HG1 VAL 18 HG12 VAL 18 6.929 7.712 -5.988 162 3HG1 VAL 18 HG11 VAL 18 6.640 8.734 -4.578 163 1HG2 VAL 18 HG22 VAL 18 3.912 5.872 -5.575 164 2HG2 VAL 18 HG21 VAL 18 4.059 6.799 -7.069 165 3HG2 VAL 18 HG23 VAL 18 5.470 5.987 -6.392 166 H LYS 19 HN LYS 19 5.949 7.273 -2.249 167 HA LYS 19 HA LYS 19 5.983 4.395 -2.415 168 1HB LYS 19 HB2 LYS 19 7.964 5.167 -1.486 169 2HB LYS 19 HB1 LYS 19 7.165 6.462 -0.606 170 1HG LYS 19 HG2 LYS 19 6.888 5.164 1.245 171 2HG LYS 19 HG1 LYS 19 6.376 3.769 0.295 172 1HD LYS 19 HD2 LYS 19 8.408 2.839 0.466 173 2HD LYS 19 HD1 LYS 19 9.169 4.289 -0.188 174 1HE LYS 19 HE2 LYS 19 9.433 5.259 1.947 175 2HE LYS 19 HE1 LYS 19 8.231 4.192 2.674 176 1HZ LYS 19 HZ2 LYS 19 9.782 2.322 2.144 177 2HZ LYS 19 HZ1 LYS 19 10.956 3.483 1.748 178 3HZ LYS 19 HZ3 LYS 19 10.344 3.403 3.328 179 H LYS 20 HN LYS 20 5.081 6.294 0.474 180 HA LYS 20 HA LYS 20 3.563 4.295 1.716 181 1HB LYS 20 HB2 LYS 20 3.353 7.309 1.782 182 2HB LYS 20 HB1 LYS 20 2.276 6.295 2.743 183 1HG LYS 20 HG2 LYS 20 5.175 5.648 2.889 184 2HG LYS 20 HG1 LYS 20 4.665 7.151 3.660 185 1HD LYS 20 HD2 LYS 20 2.721 5.551 4.585 186 2HD LYS 20 HD1 LYS 20 3.980 4.336 4.359 187 1HE LYS 20 HE2 LYS 20 4.827 6.864 5.667 188 2HE LYS 20 HE1 LYS 20 3.761 5.822 6.609 189 1HZ LYS 20 HZ1 LYS 20 6.249 4.904 5.274 190 2HZ LYS 20 HZ3 LYS 20 6.147 5.331 6.912 191 3HZ LYS 20 HZ2 LYS 20 5.264 4.003 6.326 192 H CYS 21 HN CYS 21 2.803 6.104 -1.109 193 HA CYS 21 HA CYS 21 -0.099 5.858 -1.011 194 1HB CYS 21 HB2 CYS 21 1.778 6.127 -3.360 195 2HB CYS 21 HB1 CYS 21 0.029 6.305 -3.360 196 H CYS 22 HN CYS 22 2.240 4.291 -3.225 197 HA CYS 22 HA CYS 22 0.572 2.300 -4.150 198 1HB CYS 22 HB2 CYS 22 2.530 2.371 -5.242 199 2HB CYS 22 HB1 CYS 22 3.514 2.479 -3.789 200 H TYR 23 HN TYR 23 2.444 2.444 -1.150 201 HA TYR 23 HA TYR 23 1.879 -0.204 -0.227 202 1HB TYR 23 HB2 TYR 23 2.611 2.383 1.103 203 2HB TYR 23 HB1 TYR 23 2.013 1.059 2.102 204 HD1 TYR 23 HD2 TYR 23 4.660 2.136 -0.202 205 HD2 TYR 23 HD1 TYR 23 3.312 -0.980 2.410 206 HE1 TYR 23 HE2 TYR 23 6.900 1.093 -0.310 207 HE2 TYR 23 HE1 TYR 23 5.556 -2.042 2.297 208 HH TYR 23 HH TYR 23 8.241 -0.560 1.380 209 H ASP 24 HN ASP 24 0.244 2.908 0.138 210 HA ASP 24 HA ASP 24 -1.952 2.184 1.724 211 1HB ASP 24 HB2 ASP 24 -1.519 4.251 -0.443 212 2HB ASP 24 HB1 ASP 24 -3.165 3.946 0.136 213 H GLY 25 HN GLY 25 -1.448 1.766 -1.735 214 1HA GLY 25 HA2 GLY 25 -4.047 0.810 -2.415 215 2HA GLY 25 HA1 GLY 25 -2.565 0.493 -3.314 216 H ALA 26 HN ALA 26 -1.009 -1.052 -1.929 217 HA ALA 26 HA ALA 26 -2.527 -3.548 -1.688 218 1HB ALA 26 HB3 ALA 26 0.221 -2.774 -2.111 219 2HB ALA 26 HB2 ALA 26 0.123 -3.970 -0.819 220 3HB ALA 26 HB1 ALA 26 -0.550 -4.332 -2.408 221 H SER 27 HN SER 27 -2.230 -1.115 0.476 222 HA SER 27 HA SER 27 -1.741 -2.888 2.803 223 1HB SER 27 HB2 SER 27 -1.610 0.023 2.353 224 2HB SER 27 HB1 SER 27 -2.038 -0.521 3.961 225 HG SER 27 HG SER 27 0.190 -1.494 2.501 226 H VAL 28 HN VAL 28 -4.004 -0.287 1.924 227 HA VAL 28 HA VAL 28 -5.945 -0.735 3.873 228 HB VAL 28 HB VAL 28 -7.525 0.278 2.281 229 1HG1 VAL 28 HG13 VAL 28 -4.852 1.302 2.873 230 2HG1 VAL 28 HG12 VAL 28 -5.560 2.048 1.443 231 3HG1 VAL 28 HG11 VAL 28 -6.411 2.117 2.985 232 1HG2 VAL 28 HG21 VAL 28 -5.615 -0.876 0.380 233 2HG2 VAL 28 HG23 VAL 28 -7.297 -0.410 0.130 234 3HG2 VAL 28 HG22 VAL 28 -6.019 0.800 0.013 235 H ASN 29 HN ASN 29 -8.200 -1.727 3.406 236 HA ASN 29 HA ASN 29 -8.138 -4.479 3.261 237 1HB ASN 29 HB2 ASN 29 -10.159 -2.553 3.277 238 2HB ASN 29 HB1 ASN 29 -10.469 -3.483 1.814 239 1HD2 ASN 29 HD22 ASN 29 -11.188 -5.153 5.432 240 2HD2 ASN 29 HD21 ASN 29 -10.645 -3.551 5.284 241 H ASN 30 HN ASN 30 -9.001 -5.918 1.443 242 HA ASN 30 HA ASN 30 -7.312 -6.047 -0.735 243 1HB ASN 30 HB2 ASN 30 -9.200 -7.672 -0.026 244 2HB ASN 30 HB1 ASN 30 -10.240 -6.699 -1.067 245 1HD2 ASN 30 HD22 ASN 30 -9.175 -8.535 -3.870 246 2HD2 ASN 30 HD21 ASN 30 -10.456 -7.822 -3.014 247 H ASP 31 HN ASP 31 -10.020 -3.869 -0.297 248 HA ASP 31 HA ASP 31 -9.151 -2.379 -2.678 249 1HB ASP 31 HB2 ASP 31 -11.759 -3.851 -2.507 250 2HB ASP 31 HB1 ASP 31 -11.697 -2.312 -3.367 251 H GLU 32 HN GLU 32 -9.678 -2.146 0.404 252 HA GLU 32 HA GLU 32 -11.746 -0.323 0.911 253 1HB GLU 32 HB2 GLU 32 -10.633 -0.913 2.849 254 2HB GLU 32 HB1 GLU 32 -9.042 -0.756 2.112 255 1HG GLU 32 HG2 GLU 32 -8.915 1.490 2.571 256 2HG GLU 32 HG1 GLU 32 -10.644 1.738 2.328 257 H THR 33 HN THR 33 -8.427 0.932 0.776 258 HA THR 33 HA THR 33 -9.389 3.415 -0.435 259 HB THR 33 HB THR 33 -6.508 2.598 -0.059 260 HG1 THR 33 HG1 THR 33 -8.083 3.989 1.825 261 1HG2 THR 33 HG22 THR 33 -7.923 4.967 -0.907 262 2HG2 THR 33 HG21 THR 33 -6.964 5.302 0.536 263 3HG2 THR 33 HG23 THR 33 -6.187 4.647 -0.905 264 H CYS 34 HN CYS 34 -7.586 0.555 -1.454 265 HA CYS 34 HA CYS 34 -6.453 1.142 -3.878 266 1HB CYS 34 HB2 CYS 34 -7.063 -1.163 -2.758 267 2HB CYS 34 HB1 CYS 34 -8.475 -1.082 -3.810 268 H GLU 35 HN GLU 35 -9.916 1.020 -3.201 269 HA GLU 35 HA GLU 35 -10.594 1.660 -6.005 270 1HB GLU 35 HB2 GLU 35 -11.983 0.044 -4.772 271 2HB GLU 35 HB1 GLU 35 -12.375 1.285 -3.583 272 1HG GLU 35 HG2 GLU 35 -13.490 2.630 -5.267 273 2HG GLU 35 HG1 GLU 35 -12.972 1.529 -6.545 274 H GLN 36 HN GLN 36 -11.809 3.094 -2.952 275 HA GLN 36 HA GLN 36 -12.743 5.493 -3.892 276 1HB GLN 36 HB2 GLN 36 -11.222 4.870 -1.368 277 2HB GLN 36 HB1 GLN 36 -11.800 6.505 -1.692 278 1HG GLN 36 HG2 GLN 36 -13.972 5.941 -1.334 279 2HG GLN 36 HG1 GLN 36 -13.804 4.392 -2.158 280 1HE2 GLN 36 HE22 GLN 36 -14.304 3.407 1.329 281 2HE2 GLN 36 HE21 GLN 36 -15.215 3.963 0.009 282 H ARG 37 HN ARG 37 -9.399 4.543 -3.754 283 HA ARG 37 HA ARG 37 -8.520 7.267 -4.491 284 1HB ARG 37 HB2 ARG 37 -7.298 4.949 -3.180 285 2HB ARG 37 HB1 ARG 37 -6.263 5.668 -4.412 286 1HG ARG 37 HG2 ARG 37 -6.099 6.604 -2.006 287 2HG ARG 37 HG1 ARG 37 -6.231 7.761 -3.326 288 1HD ARG 37 HD2 ARG 37 -8.473 8.256 -2.839 289 2HD ARG 37 HD1 ARG 37 -8.712 6.747 -1.958 290 HE ARG 37 HE ARG 37 -6.805 8.092 -0.464 291 1HH1 ARG 37 HH21 ARG 37 -9.941 8.792 -1.733 292 2HH1 ARG 37 HH22 ARG 37 -10.363 9.868 -0.444 293 1HH2 ARG 37 HH12 ARG 37 -7.347 9.495 1.221 294 2HH2 ARG 37 HH11 ARG 37 -8.898 10.266 1.224 295 H ALA 38 HN ALA 38 -8.342 3.886 -5.734 296 HA ALA 38 HA ALA 38 -6.996 4.650 -8.166 297 1HB ALA 38 HB3 ALA 38 -8.795 2.270 -7.617 298 2HB ALA 38 HB2 ALA 38 -7.738 2.445 -9.017 299 3HB ALA 38 HB1 ALA 38 -7.045 2.315 -7.400 300 H ALA 39 HN ALA 39 -10.431 3.792 -7.623 301 HA ALA 39 HA ALA 39 -11.186 4.907 -10.218 302 1HB ALA 39 HB3 ALA 39 -12.690 3.677 -7.913 303 2HB ALA 39 HB2 ALA 39 -13.553 4.486 -9.222 304 3HB ALA 39 HB1 ALA 39 -12.536 3.088 -9.569 305 H ARG 40 HN ARG 40 -12.980 5.628 -7.265 306 HA ARG 40 HA ARG 40 -13.739 8.216 -7.881 307 1HB ARG 40 HB2 ARG 40 -13.702 6.619 -5.545 308 2HB ARG 40 HB1 ARG 40 -12.966 8.160 -5.099 309 1HG ARG 40 HG2 ARG 40 -14.900 9.340 -5.441 310 2HG ARG 40 HG1 ARG 40 -15.411 8.311 -6.780 311 1HD ARG 40 HD2 ARG 40 -15.320 7.049 -4.087 312 2HD ARG 40 HD1 ARG 40 -16.600 8.228 -4.366 313 HE ARG 40 HE ARG 40 -16.709 6.582 -6.597 314 1HH1 ARG 40 HH21 ARG 40 -16.764 6.169 -3.167 315 2HH1 ARG 40 HH22 ARG 40 -17.754 4.750 -3.226 316 1HH2 ARG 40 HH12 ARG 40 -18.000 4.732 -6.683 317 2HH2 ARG 40 HH11 ARG 40 -18.453 3.938 -5.212 318 H ILE 41 HN ILE 41 -12.284 9.614 -8.832 319 HA ILE 41 HA ILE 41 -10.008 10.500 -7.133 320 HB ILE 41 HB ILE 41 -9.860 9.444 -9.955 321 1HG1 ILE 41 HG12 ILE 41 -7.912 9.150 -7.664 322 2HG1 ILE 41 HG11 ILE 41 -9.321 8.098 -7.830 323 1HG2 ILE 41 HG23 ILE 41 -8.522 11.808 -8.914 324 2HG2 ILE 41 HG22 ILE 41 -7.362 10.557 -9.352 325 3HG2 ILE 41 HG21 ILE 41 -8.512 11.153 -10.550 326 1HD1 ILE 41 HD12 ILE 41 -8.556 7.559 -10.165 327 2HD1 ILE 41 HD11 ILE 41 -7.079 8.462 -9.835 328 3HD1 ILE 41 HD13 ILE 41 -7.448 7.007 -8.911 329 H SER 42 HN SER 42 -11.479 12.364 -6.811 330 HA SER 42 HA SER 42 -12.618 13.972 -8.795 331 1HB SER 42 HB2 SER 42 -11.178 14.917 -6.294 332 2HB SER 42 HB1 SER 42 -12.318 15.874 -7.237 333 HG SER 42 HG SER 42 -12.761 13.580 -5.657 334 H LEU 43 HN LEU 43 -9.406 14.587 -7.342 335 HA LEU 43 HA LEU 43 -8.536 15.636 -10.006 336 1HB LEU 43 HB2 LEU 43 -6.779 16.809 -8.319 337 2HB LEU 43 HB1 LEU 43 -8.307 17.561 -8.774 338 HG LEU 43 HG LEU 43 -9.354 16.440 -6.764 339 1HD1 LEU 43 HD11 LEU 43 -6.829 15.133 -6.725 340 2HD1 LEU 43 HD13 LEU 43 -6.916 16.131 -5.273 341 3HD1 LEU 43 HD12 LEU 43 -8.167 14.930 -5.594 342 1HD2 LEU 43 HD22 LEU 43 -7.138 18.472 -6.535 343 2HD2 LEU 43 HD21 LEU 43 -8.881 18.731 -6.475 344 3HD2 LEU 43 HD23 LEU 43 -8.055 17.977 -5.112 345 H GLY 44 HN GLY 44 -8.070 13.295 -7.593 346 1HA GLY 44 HA2 GLY 44 -6.518 11.560 -7.398 347 2HA GLY 44 HA1 GLY 44 -5.961 11.969 -9.020 348 HA PRO 45 HA PRO 45 -3.618 14.635 -5.469 349 1HB PRO 45 HB2 PRO 45 -3.027 12.438 -3.706 350 2HB PRO 45 HB1 PRO 45 -3.862 13.949 -3.331 351 1HG PRO 45 HG2 PRO 45 -4.978 11.315 -3.616 352 2HG PRO 45 HG1 PRO 45 -5.791 12.811 -3.147 353 1HD PRO 45 HD2 PRO 45 -6.150 11.398 -5.550 354 2HD PRO 45 HD1 PRO 45 -6.729 13.031 -5.189 355 H ARG 46 HN ARG 46 -2.802 11.159 -5.336 356 HA ARG 46 HA ARG 46 -0.907 11.161 -7.450 357 1HB ARG 46 HB2 ARG 46 0.034 12.305 -4.911 358 2HB ARG 46 HB1 ARG 46 1.040 10.980 -5.501 359 1HG ARG 46 HG2 ARG 46 1.798 12.183 -7.272 360 2HG ARG 46 HG1 ARG 46 0.211 12.882 -7.593 361 1HD ARG 46 HD2 ARG 46 1.168 14.798 -6.813 362 2HD ARG 46 HD1 ARG 46 0.827 14.096 -5.231 363 HE ARG 46 HE ARG 46 3.307 13.056 -5.897 364 1HH1 ARG 46 HH21 ARG 46 1.880 16.195 -5.714 365 2HH1 ARG 46 HH22 ARG 46 3.361 16.985 -5.292 366 1HH2 ARG 46 HH12 ARG 46 5.244 14.075 -5.347 367 2HH2 ARG 46 HH11 ARG 46 5.264 15.787 -5.084 368 H CYS 47 HN CYS 47 -1.614 9.951 -4.175 369 HA CYS 47 HA CYS 47 -0.356 7.423 -4.532 370 1HB CYS 47 HB2 CYS 47 -2.810 7.917 -2.819 371 2HB CYS 47 HB1 CYS 47 -1.646 6.630 -2.622 372 H ILE 48 HN ILE 48 -3.359 8.706 -5.722 373 HA ILE 48 HA ILE 48 -4.545 6.141 -6.204 374 HB ILE 48 HB ILE 48 -6.041 7.368 -7.753 375 1HG1 ILE 48 HG12 ILE 48 -5.580 9.988 -7.624 376 2HG1 ILE 48 HG11 ILE 48 -3.912 9.452 -7.481 377 1HG2 ILE 48 HG22 ILE 48 -5.445 8.825 -5.168 378 2HG2 ILE 48 HG21 ILE 48 -6.935 8.987 -6.096 379 3HG2 ILE 48 HG23 ILE 48 -6.520 7.440 -5.359 380 1HD1 ILE 48 HD13 ILE 48 -5.102 7.902 -9.542 381 2HD1 ILE 48 HD12 ILE 48 -5.558 9.579 -9.833 382 3HD1 ILE 48 HD11 ILE 48 -3.856 9.138 -9.710 383 H LYS 49 HN LYS 49 -2.753 8.368 -8.410 384 HA LYS 49 HA LYS 49 -2.714 6.534 -10.599 385 1HB LYS 49 HB2 LYS 49 -1.583 9.085 -9.985 386 2HB LYS 49 HB1 LYS 49 -0.287 8.046 -10.579 387 1HG LYS 49 HG2 LYS 49 -1.197 7.872 -12.672 388 2HG LYS 49 HG1 LYS 49 -2.853 7.904 -12.065 389 1HD LYS 49 HD2 LYS 49 -2.708 10.314 -11.686 390 2HD LYS 49 HD1 LYS 49 -1.015 10.314 -12.182 391 1HE LYS 49 HE2 LYS 49 -2.948 9.126 -14.102 392 2HE LYS 49 HE1 LYS 49 -3.033 10.875 -13.887 393 1HZ LYS 49 HZ1 LYS 49 -0.339 10.099 -14.053 394 2HZ LYS 49 HZ3 LYS 49 -1.172 9.417 -15.363 395 3HZ LYS 49 HZ2 LYS 49 -1.221 11.097 -15.110 396 H ALA 50 HN ALA 50 -0.039 7.294 -8.331 397 HA ALA 50 HA ALA 50 1.718 5.208 -9.054 398 1HB ALA 50 HB2 ALA 50 2.237 6.978 -7.351 399 2HB ALA 50 HB1 ALA 50 1.170 6.144 -6.222 400 3HB ALA 50 HB3 ALA 50 2.632 5.349 -6.802 401 H PHE 51 HN PHE 51 -0.429 5.204 -6.279 402 HA PHE 51 HA PHE 51 -0.110 2.445 -5.873 403 1HB PHE 51 HB2 PHE 51 -1.045 2.929 -3.950 404 2HB PHE 51 HB1 PHE 51 -1.102 4.582 -4.444 405 HD1 PHE 51 HD1 PHE 51 -3.459 4.058 -6.516 406 HD2 PHE 51 HD2 PHE 51 -2.811 3.066 -2.417 407 HE1 PHE 51 HE1 PHE 51 -5.897 3.919 -6.160 408 HE2 PHE 51 HE2 PHE 51 -5.248 2.955 -2.054 409 HZ PHE 51 HZ PHE 51 -6.796 3.367 -3.937 410 H THR 52 HN THR 52 -1.884 4.002 -8.272 411 HA THR 52 HA THR 52 -4.113 2.114 -8.399 412 HB THR 52 HB THR 52 -3.125 4.364 -10.112 413 HG1 THR 52 HG1 THR 52 -5.029 4.021 -8.459 414 1HG2 THR 52 HG21 THR 52 -4.642 1.973 -11.141 415 2HG2 THR 52 HG23 THR 52 -4.924 3.572 -11.829 416 3HG2 THR 52 HG22 THR 52 -3.316 2.851 -11.902 417 H GLU 53 HN GLU 53 -1.222 2.691 -10.452 418 HA GLU 53 HA GLU 53 -1.511 0.130 -11.794 419 1HB GLU 53 HB2 GLU 53 1.104 1.614 -11.414 420 2HB GLU 53 HB1 GLU 53 0.631 0.566 -12.753 421 1HG GLU 53 HG2 GLU 53 -0.152 2.356 -13.858 422 2HG GLU 53 HG1 GLU 53 -1.329 2.615 -12.571 423 H CYS 54 HN CYS 54 -0.065 1.192 -8.810 424 HA CYS 54 HA CYS 54 1.416 -1.264 -8.322 425 1HB CYS 54 HB2 CYS 54 2.232 0.559 -7.129 426 2HB CYS 54 HB1 CYS 54 0.627 1.160 -6.726 427 H CYS 55 HN CYS 55 -1.170 -0.003 -6.250 428 HA CYS 55 HA CYS 55 -2.094 -2.273 -5.070 429 1HB CYS 55 HB2 CYS 55 -3.064 0.124 -4.972 430 2HB CYS 55 HB1 CYS 55 -4.116 -0.381 -6.286 431 H VAL 56 HN VAL 56 -3.005 -1.283 -8.399 432 HA VAL 56 HA VAL 56 -4.751 -3.518 -8.819 433 HB VAL 56 HB VAL 56 -4.643 -2.992 -11.192 434 1HG1 VAL 56 HG12 VAL 56 -4.990 -0.923 -9.122 435 2HG1 VAL 56 HG11 VAL 56 -4.741 -0.289 -10.749 436 3HG1 VAL 56 HG13 VAL 56 -6.071 -1.403 -10.430 437 1HG2 VAL 56 HG22 VAL 56 -2.175 -1.494 -10.354 438 2HG2 VAL 56 HG21 VAL 56 -2.382 -2.617 -11.694 439 3HG2 VAL 56 HG23 VAL 56 -3.069 -0.996 -11.788 440 H VAL 57 HN VAL 57 -1.319 -3.053 -9.930 441 HA VAL 57 HA VAL 57 -1.015 -5.618 -11.035 442 HB VAL 57 HB VAL 57 0.819 -4.019 -11.138 443 1HG1 VAL 57 HG11 VAL 57 0.668 -4.262 -8.157 444 2HG1 VAL 57 HG13 VAL 57 2.225 -3.922 -8.906 445 3HG1 VAL 57 HG12 VAL 57 0.871 -2.822 -9.149 446 1HG2 VAL 57 HG22 VAL 57 1.085 -6.700 -10.778 447 2HG2 VAL 57 HG21 VAL 57 2.448 -5.630 -11.108 448 3HG2 VAL 57 HG23 VAL 57 2.081 -6.106 -9.450 449 H ALA 58 HN ALA 58 -1.073 -4.664 -7.636 450 HA ALA 58 HA ALA 58 -0.213 -7.170 -6.559 451 1HB ALA 58 HB1 ALA 58 -1.313 -4.698 -5.558 452 2HB ALA 58 HB3 ALA 58 -2.130 -6.062 -4.795 453 3HB ALA 58 HB2 ALA 58 -0.375 -5.915 -4.693 454 H SER 59 HN SER 59 -3.498 -5.852 -6.965 455 HA SER 59 HA SER 59 -4.885 -8.260 -6.314 456 1HB SER 59 HB2 SER 59 -6.233 -6.704 -8.371 457 2HB SER 59 HB1 SER 59 -6.720 -7.003 -6.703 458 HG SER 59 HG SER 59 -4.988 -5.008 -7.721 459 H GLN 60 HN GLN 60 -4.702 -6.853 -9.582 460 HA GLN 60 HA GLN 60 -5.489 -8.989 -11.087 461 1HB GLN 60 HB2 GLN 60 -4.333 -6.623 -11.704 462 2HB GLN 60 HB1 GLN 60 -3.004 -7.713 -12.098 463 1HG GLN 60 HG2 GLN 60 -4.281 -7.537 -14.101 464 2HG GLN 60 HG1 GLN 60 -4.724 -9.095 -13.403 465 1HE2 GLN 60 HE22 GLN 60 -7.456 -6.030 -13.027 466 2HE2 GLN 60 HE21 GLN 60 -5.800 -5.662 -12.988 467 H LEU 61 HN LEU 61 -2.274 -8.577 -9.646 468 HA LEU 61 HA LEU 61 -1.156 -11.009 -10.779 469 1HB LEU 61 HB2 LEU 61 -0.403 -9.222 -8.472 470 2HB LEU 61 HB1 LEU 61 0.493 -10.679 -8.831 471 HG LEU 61 HG LEU 61 1.134 -8.326 -9.792 472 1HD1 LEU 61 HD11 LEU 61 2.348 -10.478 -10.088 473 2HD1 LEU 61 HD13 LEU 61 1.319 -10.821 -11.479 474 3HD1 LEU 61 HD12 LEU 61 2.421 -9.446 -11.515 475 1HD2 LEU 61 HD22 LEU 61 -1.051 -8.079 -11.018 476 2HD2 LEU 61 HD21 LEU 61 0.355 -7.975 -12.074 477 3HD2 LEU 61 HD23 LEU 61 -0.589 -9.462 -12.007 478 H ARG 62 HN ARG 62 -1.219 -10.403 -7.355 479 HA ARG 62 HA ARG 62 -1.252 -12.824 -6.232 480 1HB ARG 62 HB2 ARG 62 -2.381 -10.321 -5.463 481 2HB ARG 62 HB1 ARG 62 -3.514 -11.590 -4.992 482 1HG ARG 62 HG2 ARG 62 -1.374 -12.809 -4.102 483 2HG ARG 62 HG1 ARG 62 -0.656 -11.198 -4.142 484 1HD ARG 62 HD2 ARG 62 -3.271 -11.035 -2.969 485 2HD ARG 62 HD1 ARG 62 -2.353 -12.291 -2.143 486 HE ARG 62 HE ARG 62 -1.995 -9.513 -1.767 487 1HH1 ARG 62 HH21 ARG 62 -0.080 -12.313 -2.477 488 2HH1 ARG 62 HH22 ARG 62 1.404 -11.557 -2.017 489 1HH2 ARG 62 HH12 ARG 62 -0.067 -8.548 -1.147 490 2HH2 ARG 62 HH11 ARG 62 1.414 -9.440 -1.258 491 H ALA 63 HN ALA 63 -4.338 -11.496 -7.484 492 HA ALA 63 HA ALA 63 -6.045 -13.613 -6.985 493 1HB ALA 63 HB2 ALA 63 -6.124 -11.381 -8.630 494 2HB ALA 63 HB1 ALA 63 -6.273 -12.719 -9.769 495 3HB ALA 63 HB3 ALA 63 -7.424 -12.559 -8.443 496 H ASN 64 HN ASN 64 -4.165 -13.340 -10.029 497 HA ASN 64 HA ASN 64 -3.736 -16.281 -9.932 498 1HB ASN 64 HB2 ASN 64 -5.619 -15.007 -11.646 499 2HB ASN 64 HB1 ASN 64 -4.258 -15.514 -12.649 500 1HD2 ASN 64 HD22 ASN 64 -6.724 -18.368 -12.134 501 2HD2 ASN 64 HD21 ASN 64 -6.949 -16.755 -12.613 502 H ILE 65 HN ILE 65 -1.743 -14.552 -9.317 503 HA ILE 65 HA ILE 65 -0.253 -13.380 -11.397 504 HB ILE 65 HB ILE 65 1.654 -14.675 -9.706 505 1HG1 ILE 65 HG12 ILE 65 -0.661 -13.421 -8.195 506 2HG1 ILE 65 HG11 ILE 65 -0.242 -15.135 -8.169 507 1HG2 ILE 65 HG23 ILE 65 0.576 -11.931 -10.198 508 2HG2 ILE 65 HG22 ILE 65 1.616 -12.173 -8.795 509 3HG2 ILE 65 HG21 ILE 65 2.216 -12.543 -10.411 510 1HD1 ILE 65 HD11 ILE 65 2.165 -14.036 -7.543 511 2HD1 ILE 65 HD13 ILE 65 1.077 -12.850 -6.824 512 3HD1 ILE 65 HD12 ILE 65 0.983 -14.541 -6.336 513 H SER 66 HN SER 66 0.406 -14.271 -13.260 514 HA SER 66 HA SER 66 1.963 -16.707 -13.329 515 1HB SER 66 HB2 SER 66 0.394 -18.058 -14.670 516 2HB SER 66 HB1 SER 66 -0.285 -17.703 -13.084 517 HG SER 66 HG SER 66 -1.765 -16.494 -13.991 518 H HIS 67 HN HIS 67 -0.036 -14.393 -15.133 519 HA HIS 67 HA HIS 67 2.199 -13.934 -16.983 520 1HB HIS 67 HB2 HIS 67 0.781 -15.932 -17.846 521 2HB HIS 67 HB1 HIS 67 -0.443 -14.716 -18.207 522 HD1 HIS 67 HD1 HIS 67 -0.010 -15.246 -20.786 523 HD2 HIS 67 HD2 HIS 67 3.217 -13.549 -18.764 524 HE1 HIS 67 HE1 HIS 67 1.602 -14.434 -22.562 525 H LYS 68 HN LYS 68 1.799 -11.883 -15.704 526 HA LYS 68 HA LYS 68 0.356 -9.986 -17.316 527 1HB LYS 68 HB2 LYS 68 -1.543 -11.135 -16.106 528 2HB LYS 68 HB1 LYS 68 -0.862 -10.529 -14.595 529 1HG LYS 68 HG2 LYS 68 -2.045 -8.641 -14.941 530 2HG LYS 68 HG1 LYS 68 -0.933 -8.289 -16.263 531 1HD LYS 68 HD2 LYS 68 -3.106 -10.204 -16.895 532 2HD LYS 68 HD1 LYS 68 -3.613 -8.539 -16.605 533 1HE LYS 68 HE2 LYS 68 -2.936 -8.004 -18.681 534 2HE LYS 68 HE1 LYS 68 -1.283 -8.409 -18.216 535 1HZ LYS 68 HZ2 LYS 68 -3.273 -10.416 -19.115 536 2HZ LYS 68 HZ1 LYS 68 -2.157 -9.669 -20.157 537 3HZ LYS 68 HZ3 LYS 68 -1.605 -10.645 -18.885 538 H ASP 69 HN ASP 69 1.035 -7.900 -16.815 539 HA ASP 69 HA ASP 69 2.455 -7.469 -14.239 540 1HB ASP 69 HB2 ASP 69 4.225 -6.206 -15.681 541 2HB ASP 69 HB1 ASP 69 4.328 -7.963 -15.576 542 H MET 70 HN MET 70 3.116 -4.972 -14.215 543 HA MET 70 HA MET 70 1.644 -3.107 -15.788 544 1HB MET 70 HB2 MET 70 -0.085 -4.502 -14.200 545 2HB MET 70 HB1 MET 70 0.316 -3.145 -13.145 546 1HG MET 70 HG2 MET 70 -0.844 -1.681 -14.421 547 2HG MET 70 HG1 MET 70 -0.160 -2.322 -15.915 548 1HE MET 70 HE2 MET 70 -1.757 -2.448 -17.456 549 2HE MET 70 HE1 MET 70 -1.351 -4.162 -17.452 550 3HE MET 70 HE3 MET 70 -3.042 -3.649 -17.553 551 H CYS 71 HN CYS 71 2.069 -3.363 -12.250 552 HA CYS 71 HA CYS 71 4.323 -1.499 -12.291 553 1HB CYS 71 HB2 CYS 71 1.548 -0.635 -11.698 554 2HB CYS 71 HB1 CYS 71 2.782 -0.060 -10.579 555 1H CYS 72 HN3 CYS 72 4.143 4.342 -12.066 556 2H CYS 72 HN2 CYS 72 2.766 3.375 -12.299 557 3H CYS 72 HN1 CYS 72 2.603 4.960 -11.708 558 HA CYS 72 HA CYS 72 2.340 3.535 -9.855 559 1HB CYS 72 HB2 CYS 72 4.754 2.221 -9.537 560 2HB CYS 72 HB1 CYS 72 3.222 1.492 -9.978 561 H LEU 73 HN LEU 73 5.810 4.017 -10.522 562 HA LEU 73 HA LEU 73 6.513 5.041 -8.035 563 1HB LEU 73 HB2 LEU 73 8.391 6.214 -9.247 564 2HB LEU 73 HB1 LEU 73 8.223 4.507 -9.656 565 HG LEU 73 HG LEU 73 6.522 5.797 -11.449 566 1HD1 LEU 73 HD11 LEU 73 8.678 7.587 -10.593 567 2HD1 LEU 73 HD13 LEU 73 8.685 7.291 -12.332 568 3HD1 LEU 73 HD12 LEU 73 7.241 7.940 -11.554 569 1HD2 LEU 73 HD21 LEU 73 8.771 4.088 -11.455 570 2HD2 LEU 73 HD23 LEU 73 7.700 4.440 -12.812 571 3HD2 LEU 73 HD22 LEU 73 9.160 5.399 -12.568 572 H GLY 74 HN GLY 74 7.465 7.535 -8.016 573 1HA GLY 74 HA2 GLY 74 5.537 9.443 -9.139 574 2HA GLY 74 HA1 GLY 74 5.458 9.271 -7.388 575 1HN DAR 75 HN ARG 75 6.314 11.606 -9.010 576 HA DAR 75 HA ARG 75 9.143 11.931 -8.958 577 1HB DAR 75 HB1 ARG 75 9.177 11.710 -6.603 578 2HB DAR 75 HB2 ARG 75 7.667 12.600 -6.410 579 1HG DAR 75 HG1 ARG 75 8.707 14.680 -6.853 580 2HG DAR 75 HG2 ARG 75 10.125 13.918 -7.570 581 1HD DAR 75 HD1 ARG 75 10.100 12.823 -5.039 582 2HD DAR 75 HD2 ARG 75 9.499 14.451 -4.744 583 HNE DAR 75 HE ARG 75 11.690 15.173 -4.964 584 1HH1 DAR 75 HH11 ARG 75 13.643 15.409 -6.042 585 2HH1 DAR 75 HH12 ARG 75 14.068 14.297 -7.300 586 1HH2 DAR 75 HH21 ARG 75 11.168 12.429 -7.011 587 2HH2 DAR 75 HH22 ARG 75 12.668 12.622 -7.850 No H/Q in entry = 587 Start of MODEL 6 1 1H MET 1 HN3 MET 1 16.667 -10.677 -5.772 2 2H MET 1 HN2 MET 1 15.677 -9.388 -6.268 3 3H MET 1 HN1 MET 1 17.245 -9.552 -6.903 4 HA MET 1 HA MET 1 18.247 -9.027 -4.831 5 1HB MET 1 HB2 MET 1 15.990 -7.230 -5.711 6 2HB MET 1 HB1 MET 1 17.043 -6.775 -4.370 7 1HG MET 1 HG2 MET 1 18.411 -5.926 -5.966 8 2HG MET 1 HG1 MET 1 18.848 -7.604 -6.285 9 1HE MET 1 HE3 MET 1 19.678 -6.794 -8.266 10 2HE MET 1 HE2 MET 1 18.800 -6.845 -9.793 11 3HE MET 1 HE1 MET 1 18.938 -5.324 -8.916 12 H LEU 2 HN LEU 2 14.784 -9.617 -4.614 13 HA LEU 2 HA LEU 2 15.123 -10.372 -1.788 14 1HB LEU 2 HB2 LEU 2 14.103 -7.801 -2.516 15 2HB LEU 2 HB1 LEU 2 12.768 -8.755 -1.870 16 HG LEU 2 HG LEU 2 15.191 -9.138 -0.308 17 1HD1 LEU 2 HD12 LEU 2 15.041 -6.580 -1.308 18 2HD1 LEU 2 HD11 LEU 2 14.151 -6.431 0.207 19 3HD1 LEU 2 HD13 LEU 2 15.814 -7.017 0.214 20 1HD2 LEU 2 HD23 LEU 2 12.735 -9.613 0.258 21 2HD2 LEU 2 HD22 LEU 2 13.680 -8.809 1.511 22 3HD2 LEU 2 HD21 LEU 2 12.566 -7.876 0.512 23 H GLN 3 HN GLN 3 12.825 -11.129 -0.961 24 HA GLN 3 HA GLN 3 11.683 -12.794 -3.149 25 1HB GLN 3 HB2 GLN 3 12.562 -13.738 -0.883 26 2HB GLN 3 HB1 GLN 3 11.049 -13.119 -0.221 27 1HG GLN 3 HG2 GLN 3 10.002 -14.958 -0.979 28 2HG GLN 3 HG1 GLN 3 10.390 -14.465 -2.628 29 1HE2 GLN 3 HE22 GLN 3 12.825 -16.971 -3.055 30 2HE2 GLN 3 HE21 GLN 3 11.899 -15.736 -3.759 31 H LYS 4 HN LYS 4 10.889 -10.247 -0.891 32 HA LYS 4 HA LYS 4 8.131 -10.337 -0.690 33 1HB LYS 4 HB2 LYS 4 10.108 -8.127 -0.918 34 2HB LYS 4 HB1 LYS 4 8.418 -7.699 -1.187 35 1HG LYS 4 HG2 LYS 4 7.769 -8.379 0.968 36 2HG LYS 4 HG1 LYS 4 9.212 -9.369 1.189 37 1HD LYS 4 HD2 LYS 4 10.211 -6.803 0.730 38 2HD LYS 4 HD1 LYS 4 8.813 -6.543 1.772 39 1HE LYS 4 HE2 LYS 4 10.918 -8.633 2.362 40 2HE LYS 4 HE1 LYS 4 11.014 -6.984 2.979 41 1HZ LYS 4 HZ2 LYS 4 8.752 -7.333 3.916 42 2HZ LYS 4 HZ1 LYS 4 8.874 -8.973 3.487 43 3HZ LYS 4 HZ3 LYS 4 9.953 -8.311 4.616 44 H LYS 5 HN LYS 5 6.386 -9.937 -2.054 45 HA LYS 5 HA LYS 5 6.977 -10.008 -4.942 46 1HB LYS 5 HB2 LYS 5 4.342 -10.086 -3.440 47 2HB LYS 5 HB1 LYS 5 4.530 -10.327 -5.177 48 1HG LYS 5 HG2 LYS 5 6.224 -12.183 -4.511 49 2HG LYS 5 HG1 LYS 5 5.465 -12.093 -2.922 50 1HD LYS 5 HD2 LYS 5 3.230 -12.381 -4.109 51 2HD LYS 5 HD1 LYS 5 4.152 -12.779 -5.560 52 1HE LYS 5 HE2 LYS 5 4.599 -14.857 -4.807 53 2HE LYS 5 HE1 LYS 5 5.126 -14.244 -3.239 54 1HZ LYS 5 HZ1 LYS 5 2.352 -13.933 -3.421 55 2HZ LYS 5 HZ3 LYS 5 2.721 -15.523 -3.879 56 3HZ LYS 5 HZ2 LYS 5 3.231 -14.935 -2.369 57 H ILE 6 HN ILE 6 4.355 -8.207 -3.345 58 HA ILE 6 HA ILE 6 5.097 -5.871 -5.027 59 HB ILE 6 HB ILE 6 2.564 -6.820 -3.730 60 1HG1 ILE 6 HG12 ILE 6 3.225 -7.187 -6.171 61 2HG1 ILE 6 HG11 ILE 6 1.655 -6.426 -5.913 62 1HG2 ILE 6 HG23 ILE 6 2.873 -4.501 -2.885 63 2HG2 ILE 6 HG22 ILE 6 3.066 -3.939 -4.545 64 3HG2 ILE 6 HG21 ILE 6 1.525 -4.617 -4.016 65 1HD1 ILE 6 HD11 ILE 6 4.165 -4.796 -6.323 66 2HD1 ILE 6 HD13 ILE 6 3.180 -5.349 -7.679 67 3HD1 ILE 6 HD12 ILE 6 2.488 -4.271 -6.467 68 H GLU 7 HN GLU 7 5.350 -7.026 -1.837 69 HA GLU 7 HA GLU 7 5.027 -4.790 -0.194 70 1HB GLU 7 HB2 GLU 7 6.003 -7.271 0.216 71 2HB GLU 7 HB1 GLU 7 7.517 -6.367 0.225 72 1HG GLU 7 HG2 GLU 7 7.046 -5.363 2.205 73 2HG GLU 7 HG1 GLU 7 5.359 -5.088 1.765 74 H GLU 8 HN GLU 8 8.275 -5.718 -1.389 75 HA GLU 8 HA GLU 8 9.290 -3.051 -1.010 76 1HB GLU 8 HB2 GLU 8 11.276 -3.851 -2.237 77 2HB GLU 8 HB1 GLU 8 10.758 -5.066 -1.067 78 1HG GLU 8 HG2 GLU 8 9.577 -6.295 -2.838 79 2HG GLU 8 HG1 GLU 8 10.046 -5.068 -4.016 80 H ILE 9 HN ILE 9 7.690 -4.676 -3.698 81 HA ILE 9 HA ILE 9 8.382 -2.972 -5.838 82 HB ILE 9 HB ILE 9 5.666 -4.124 -5.110 83 1HG1 ILE 9 HG12 ILE 9 7.654 -5.665 -5.615 84 2HG1 ILE 9 HG11 ILE 9 6.220 -5.898 -6.614 85 1HG2 ILE 9 HG22 ILE 9 6.601 -2.466 -7.415 86 2HG2 ILE 9 HG21 ILE 9 5.471 -3.780 -7.746 87 3HG2 ILE 9 HG23 ILE 9 5.026 -2.496 -6.621 88 1HD1 ILE 9 HD12 ILE 9 7.235 -4.436 -8.357 89 2HD1 ILE 9 HD11 ILE 9 8.691 -4.310 -7.370 90 3HD1 ILE 9 HD13 ILE 9 8.210 -5.871 -8.036 91 H ALA 10 HN ALA 10 6.419 -2.515 -3.016 92 HA ALA 10 HA ALA 10 5.559 0.198 -3.779 93 1HB ALA 10 HB1 ALA 10 4.180 -1.425 -2.333 94 2HB ALA 10 HB3 ALA 10 5.355 -1.120 -1.054 95 3HB ALA 10 HB2 ALA 10 4.377 0.204 -1.686 96 H ALA 11 HN ALA 11 7.879 -1.479 -1.715 97 HA ALA 11 HA ALA 11 8.903 0.687 -0.249 98 1HB ALA 11 HB1 ALA 11 10.455 -1.638 -1.389 99 2HB ALA 11 HB3 ALA 11 11.001 -0.580 -0.088 100 3HB ALA 11 HB2 ALA 11 9.604 -1.629 0.156 101 H LYS 12 HN LYS 12 9.082 0.059 -3.627 102 HA LYS 12 HA LYS 12 11.404 1.871 -3.984 103 1HB LYS 12 HB2 LYS 12 10.049 -0.198 -5.623 104 2HB LYS 12 HB1 LYS 12 10.725 1.173 -6.503 105 1HG LYS 12 HG2 LYS 12 12.789 0.313 -6.274 106 2HG LYS 12 HG1 LYS 12 12.621 0.365 -4.519 107 1HD LYS 12 HD2 LYS 12 12.956 -1.916 -4.891 108 2HD LYS 12 HD1 LYS 12 11.195 -1.812 -4.868 109 1HE LYS 12 HE2 LYS 12 11.132 -1.717 -7.309 110 2HE LYS 12 HE1 LYS 12 12.895 -1.712 -7.377 111 1HZ LYS 12 HZ1 LYS 12 11.229 -3.890 -6.238 112 2HZ LYS 12 HZ3 LYS 12 11.977 -3.923 -7.759 113 3HZ LYS 12 HZ2 LYS 12 12.924 -3.884 -6.349 114 H TYR 13 HN TYR 13 7.921 1.875 -4.310 115 HA TYR 13 HA TYR 13 7.613 3.916 -6.250 116 1HB TYR 13 HB2 TYR 13 5.960 3.113 -3.843 117 2HB TYR 13 HB1 TYR 13 5.494 4.498 -4.815 118 HD1 TYR 13 HD1 TYR 13 7.121 1.367 -5.887 119 HD2 TYR 13 HD2 TYR 13 3.515 3.731 -6.058 120 HE1 TYR 13 HE1 TYR 13 6.197 -0.171 -7.579 121 HE2 TYR 13 HE2 TYR 13 2.629 2.198 -7.757 122 HH TYR 13 HH TYR 13 2.888 -0.006 -8.567 123 H LYS 14 HN LYS 14 9.023 5.568 -6.168 124 HA LYS 14 HA LYS 14 10.601 6.961 -4.862 125 1HB LYS 14 HB2 LYS 14 8.485 7.987 -6.336 126 2HB LYS 14 HB1 LYS 14 8.439 8.907 -4.831 127 1HG LYS 14 HG2 LYS 14 9.930 10.007 -6.437 128 2HG LYS 14 HG1 LYS 14 10.860 9.389 -5.072 129 1HD LYS 14 HD2 LYS 14 12.156 8.345 -6.601 130 2HD LYS 14 HD1 LYS 14 10.800 7.241 -6.836 131 1HE LYS 14 HE2 LYS 14 10.077 8.319 -8.763 132 2HE LYS 14 HE1 LYS 14 10.797 9.859 -8.294 133 1HZ LYS 14 HZ1 LYS 14 12.863 8.012 -8.502 134 2HZ LYS 14 HZ3 LYS 14 11.900 7.817 -9.886 135 3HZ LYS 14 HZ2 LYS 14 12.549 9.342 -9.514 136 H HIS 15 HN HIS 15 11.208 6.972 -2.803 137 HA HIS 15 HA HIS 15 9.378 6.729 -0.586 138 1HB HIS 15 HB2 HIS 15 11.412 7.106 0.803 139 2HB HIS 15 HB1 HIS 15 11.663 5.872 -0.432 140 HD1 HIS 15 HD1 HIS 15 14.179 7.158 0.514 141 HD2 HIS 15 HD2 HIS 15 11.899 8.837 -2.546 142 HE1 HIS 15 HE1 HIS 15 15.736 8.669 -0.793 143 H SER 16 HN SER 16 7.951 8.451 -0.544 144 HA SER 16 HA SER 16 8.700 10.831 0.811 145 1HB SER 16 HB2 SER 16 8.817 10.927 -2.162 146 2HB SER 16 HB1 SER 16 7.981 12.263 -1.374 147 HG SER 16 HG SER 16 10.072 12.865 -1.374 148 H VAL 17 HN VAL 17 6.560 9.665 -1.754 149 HA VAL 17 HA VAL 17 4.231 9.977 0.028 150 HB VAL 17 HB VAL 17 4.612 11.441 -2.594 151 1HG1 VAL 17 HG12 VAL 17 2.105 10.409 -1.313 152 2HG1 VAL 17 HG11 VAL 17 2.065 11.975 -2.126 153 3HG1 VAL 17 HG13 VAL 17 2.520 10.526 -3.024 154 1HG2 VAL 17 HG22 VAL 17 4.011 12.137 0.261 155 2HG2 VAL 17 HG21 VAL 17 5.121 12.914 -0.868 156 3HG2 VAL 17 HG23 VAL 17 3.384 13.182 -1.015 157 H VAL 18 HN VAL 18 4.934 9.444 -3.424 158 HA VAL 18 HA VAL 18 3.053 7.507 -4.050 159 HB VAL 18 HB VAL 18 4.683 8.439 -5.651 160 1HG1 VAL 18 HG12 VAL 18 6.563 6.825 -3.933 161 2HG1 VAL 18 HG11 VAL 18 6.979 7.228 -5.597 162 3HG1 VAL 18 HG13 VAL 18 6.699 8.513 -4.421 163 1HG2 VAL 18 HG21 VAL 18 4.022 5.609 -5.370 164 2HG2 VAL 18 HG23 VAL 18 4.021 6.614 -6.819 165 3HG2 VAL 18 HG22 VAL 18 5.514 5.847 -6.279 166 H LYS 19 HN LYS 19 5.842 7.152 -1.965 167 HA LYS 19 HA LYS 19 5.965 4.269 -2.083 168 1HB LYS 19 HB2 LYS 19 7.922 5.279 -1.258 169 2HB LYS 19 HB1 LYS 19 7.028 6.367 -0.203 170 1HG LYS 19 HG2 LYS 19 7.118 4.879 1.496 171 2HG LYS 19 HG1 LYS 19 6.463 3.600 0.474 172 1HD LYS 19 HD2 LYS 19 8.490 2.661 0.223 173 2HD LYS 19 HD1 LYS 19 9.200 4.199 -0.268 174 1HE LYS 19 HE2 LYS 19 9.734 4.803 1.938 175 2HE LYS 19 HE1 LYS 19 8.568 3.671 2.627 176 1HZ LYS 19 HZ3 LYS 19 10.984 2.846 1.116 177 2HZ LYS 19 HZ2 LYS 19 10.916 2.947 2.810 178 3HZ LYS 19 HZ1 LYS 19 9.926 1.843 1.981 179 H LYS 20 HN LYS 20 5.128 6.122 0.854 180 HA LYS 20 HA LYS 20 3.629 4.086 2.066 181 1HB LYS 20 HB2 LYS 20 2.523 5.891 3.376 182 2HB LYS 20 HB1 LYS 20 4.267 6.133 3.265 183 1HG LYS 20 HG2 LYS 20 3.713 7.565 1.168 184 2HG LYS 20 HG1 LYS 20 2.072 7.598 1.815 185 1HD LYS 20 HD2 LYS 20 3.289 8.273 4.055 186 2HD LYS 20 HD1 LYS 20 4.583 8.770 2.964 187 1HE LYS 20 HE2 LYS 20 3.391 10.725 2.916 188 2HE LYS 20 HE1 LYS 20 2.472 9.865 1.681 189 1HZ LYS 20 HZ1 LYS 20 0.940 9.121 3.402 190 2HZ LYS 20 HZ3 LYS 20 1.814 9.980 4.574 191 3HZ LYS 20 HZ2 LYS 20 1.008 10.817 3.334 192 H CYS 21 HN CYS 21 2.790 5.993 -0.664 193 HA CYS 21 HA CYS 21 -0.113 5.725 -0.476 194 1HB CYS 21 HB2 CYS 21 1.711 6.162 -2.844 195 2HB CYS 21 HB1 CYS 21 -0.044 6.255 -2.827 196 H CYS 22 HN CYS 22 2.138 4.332 -2.877 197 HA CYS 22 HA CYS 22 0.538 2.332 -3.858 198 1HB CYS 22 HB2 CYS 22 2.470 2.448 -4.970 199 2HB CYS 22 HB1 CYS 22 3.458 2.649 -3.534 200 H TYR 23 HN TYR 23 2.475 2.307 -0.883 201 HA TYR 23 HA TYR 23 1.915 -0.378 -0.098 202 1HB TYR 23 HB2 TYR 23 2.603 2.147 1.381 203 2HB TYR 23 HB1 TYR 23 2.030 0.754 2.297 204 HD1 TYR 23 HD2 TYR 23 4.646 1.979 0.006 205 HD2 TYR 23 HD1 TYR 23 3.397 -1.231 2.557 206 HE1 TYR 23 HE2 TYR 23 6.911 0.990 -0.144 207 HE2 TYR 23 HE1 TYR 23 5.664 -2.235 2.399 208 HH TYR 23 HH TYR 23 7.596 -2.199 1.017 209 H ASP 24 HN ASP 24 0.307 2.704 0.623 210 HA ASP 24 HA ASP 24 -1.933 1.856 2.043 211 1HB ASP 24 HB2 ASP 24 -1.574 4.067 -0.020 212 2HB ASP 24 HB1 ASP 24 -3.134 3.775 0.767 213 H GLY 25 HN GLY 25 -1.287 1.585 -1.391 214 1HA GLY 25 HA2 GLY 25 -3.910 0.830 -2.239 215 2HA GLY 25 HA1 GLY 25 -2.407 0.462 -3.089 216 H ALA 26 HN ALA 26 -1.021 -1.274 -1.877 217 HA ALA 26 HA ALA 26 -2.738 -3.643 -1.694 218 1HB ALA 26 HB2 ALA 26 0.245 -3.226 -1.475 219 2HB ALA 26 HB1 ALA 26 -0.512 -4.807 -1.285 220 3HB ALA 26 HB3 ALA 26 -0.655 -3.939 -2.813 221 H SER 27 HN SER 27 -2.136 -1.375 0.617 222 HA SER 27 HA SER 27 -1.836 -3.369 2.800 223 1HB SER 27 HB2 SER 27 -1.092 -0.570 2.507 224 2HB SER 27 HB1 SER 27 -1.822 -0.950 4.052 225 HG SER 27 HG SER 27 0.506 -1.986 2.846 226 H VAL 28 HN VAL 28 -3.708 -0.425 2.129 227 HA VAL 28 HA VAL 28 -5.580 -0.559 4.152 228 HB VAL 28 HB VAL 28 -5.298 1.022 2.033 229 1HG1 VAL 28 HG12 VAL 28 -6.430 -1.072 0.745 230 2HG1 VAL 28 HG11 VAL 28 -7.878 -0.169 1.187 231 3HG1 VAL 28 HG13 VAL 28 -6.619 0.602 0.224 232 1HG2 VAL 28 HG22 VAL 28 -7.525 0.525 3.922 233 2HG2 VAL 28 HG21 VAL 28 -6.604 1.997 3.624 234 3HG2 VAL 28 HG23 VAL 28 -7.910 1.541 2.535 235 H ASN 29 HN ASN 29 -7.977 -1.247 3.895 236 HA ASN 29 HA ASN 29 -8.296 -3.980 3.949 237 1HB ASN 29 HB2 ASN 29 -10.028 -1.753 3.870 238 2HB ASN 29 HB1 ASN 29 -10.597 -2.844 2.611 239 1HD2 ASN 29 HD22 ASN 29 -12.167 -4.878 5.005 240 2HD2 ASN 29 HD21 ASN 29 -12.202 -4.170 3.462 241 H ASN 30 HN ASN 30 -9.478 -5.397 2.308 242 HA ASN 30 HA ASN 30 -7.990 -5.878 0.026 243 1HB ASN 30 HB2 ASN 30 -10.154 -7.070 1.067 244 2HB ASN 30 HB1 ASN 30 -10.941 -6.216 -0.262 245 1HD2 ASN 30 HD22 ASN 30 -9.994 -8.862 -2.391 246 2HD2 ASN 30 HD21 ASN 30 -11.251 -7.902 -1.777 247 H ASP 31 HN ASP 31 -10.361 -3.356 0.524 248 HA ASP 31 HA ASP 31 -9.495 -2.032 -1.916 249 1HB ASP 31 HB2 ASP 31 -11.893 -1.931 -2.823 250 2HB ASP 31 HB1 ASP 31 -11.038 -3.460 -3.028 251 H GLU 32 HN GLU 32 -9.771 -1.474 1.021 252 HA GLU 32 HA GLU 32 -11.937 0.255 1.565 253 1HB GLU 32 HB2 GLU 32 -10.623 -0.143 3.442 254 2HB GLU 32 HB1 GLU 32 -9.111 0.115 2.574 255 1HG GLU 32 HG2 GLU 32 -9.525 2.517 2.498 256 2HG GLU 32 HG1 GLU 32 -11.121 2.297 3.216 257 H THR 33 HN THR 33 -8.658 1.459 0.796 258 HA THR 33 HA THR 33 -9.925 3.758 -0.602 259 HB THR 33 HB THR 33 -8.272 4.320 1.134 260 HG1 THR 33 HG1 THR 33 -7.071 5.675 -0.134 261 1HG2 THR 33 HG21 THR 33 -6.623 2.369 -0.429 262 2HG2 THR 33 HG23 THR 33 -5.814 3.696 0.402 263 3HG2 THR 33 HG22 THR 33 -6.788 2.546 1.315 264 H CYS 34 HN CYS 34 -7.831 0.984 -1.100 265 HA CYS 34 HA CYS 34 -6.570 1.367 -3.528 266 1HB CYS 34 HB2 CYS 34 -6.720 -0.792 -2.245 267 2HB CYS 34 HB1 CYS 34 -8.336 -1.013 -2.914 268 H GLU 35 HN GLU 35 -9.975 0.679 -3.007 269 HA GLU 35 HA GLU 35 -10.671 0.820 -5.829 270 1HB GLU 35 HB2 GLU 35 -11.909 -0.490 -4.017 271 2HB GLU 35 HB1 GLU 35 -12.598 1.055 -3.515 272 1HG GLU 35 HG2 GLU 35 -14.209 0.491 -5.043 273 2HG GLU 35 HG1 GLU 35 -13.059 1.208 -6.171 274 H GLN 36 HN GLN 36 -12.074 2.813 -3.214 275 HA GLN 36 HA GLN 36 -13.087 4.885 -4.689 276 1HB GLN 36 HB2 GLN 36 -11.692 4.882 -2.025 277 2HB GLN 36 HB1 GLN 36 -12.253 6.402 -2.722 278 1HG GLN 36 HG2 GLN 36 -14.101 4.031 -2.582 279 2HG GLN 36 HG1 GLN 36 -13.874 5.064 -1.171 280 1HE2 GLN 36 HE22 GLN 36 -15.485 7.901 -2.681 281 2HE2 GLN 36 HE21 GLN 36 -14.313 7.464 -1.533 282 H ARG 37 HN ARG 37 -9.753 5.006 -3.397 283 HA ARG 37 HA ARG 37 -8.974 7.279 -4.908 284 1HB ARG 37 HB2 ARG 37 -7.502 5.083 -3.506 285 2HB ARG 37 HB1 ARG 37 -6.601 6.201 -4.528 286 1HG ARG 37 HG2 ARG 37 -7.853 8.064 -3.230 287 2HG ARG 37 HG1 ARG 37 -8.230 6.799 -2.061 288 1HD ARG 37 HD2 ARG 37 -6.016 6.527 -1.427 289 2HD ARG 37 HD1 ARG 37 -5.394 7.104 -2.972 290 HE ARG 37 HE ARG 37 -6.621 9.335 -1.888 291 1HH1 ARG 37 HH21 ARG 37 -4.275 7.027 -0.839 292 2HH1 ARG 37 HH22 ARG 37 -3.432 8.151 0.171 293 1HH2 ARG 37 HH12 ARG 37 -5.529 10.809 -0.572 294 2HH2 ARG 37 HH11 ARG 37 -4.140 10.289 0.324 295 H ALA 38 HN ALA 38 -8.529 3.765 -5.688 296 HA ALA 38 HA ALA 38 -7.193 4.355 -8.180 297 1HB ALA 38 HB1 ALA 38 -7.094 2.134 -7.023 298 2HB ALA 38 HB3 ALA 38 -8.773 1.866 -7.490 299 3HB ALA 38 HB2 ALA 38 -7.527 2.016 -8.729 300 H ALA 39 HN ALA 39 -10.368 4.870 -7.252 301 HA ALA 39 HA ALA 39 -11.203 4.978 -10.114 302 1HB ALA 39 HB3 ALA 39 -12.817 3.918 -7.777 303 2HB ALA 39 HB2 ALA 39 -13.496 4.268 -9.367 304 3HB ALA 39 HB1 ALA 39 -12.275 3.008 -9.188 305 H ARG 40 HN ARG 40 -13.105 5.711 -7.219 306 HA ARG 40 HA ARG 40 -13.620 8.404 -8.242 307 1HB ARG 40 HB2 ARG 40 -14.467 6.999 -5.693 308 2HB ARG 40 HB1 ARG 40 -15.002 8.615 -6.157 309 1HG ARG 40 HG2 ARG 40 -15.876 7.645 -8.300 310 2HG ARG 40 HG1 ARG 40 -15.476 6.041 -7.684 311 1HD ARG 40 HD2 ARG 40 -17.703 6.219 -7.032 312 2HD ARG 40 HD1 ARG 40 -16.882 6.825 -5.593 313 HE ARG 40 HE ARG 40 -17.287 9.097 -7.119 314 1HH1 ARG 40 HH21 ARG 40 -19.240 6.505 -5.939 315 2HH1 ARG 40 HH22 ARG 40 -20.670 7.471 -5.807 316 1HH2 ARG 40 HH12 ARG 40 -19.146 10.366 -6.952 317 2HH2 ARG 40 HH11 ARG 40 -20.618 9.655 -6.381 318 H ILE 41 HN ILE 41 -11.966 9.846 -8.018 319 HA ILE 41 HA ILE 41 -10.586 9.955 -5.361 320 HB ILE 41 HB ILE 41 -9.543 10.783 -8.087 321 1HG1 ILE 41 HG12 ILE 41 -8.101 8.737 -6.566 322 2HG1 ILE 41 HG11 ILE 41 -9.738 8.237 -6.993 323 1HG2 ILE 41 HG21 ILE 41 -8.727 12.156 -6.157 324 2HG2 ILE 41 HG23 ILE 41 -8.140 10.674 -5.402 325 3HG2 ILE 41 HG22 ILE 41 -7.452 11.217 -6.930 326 1HD1 ILE 41 HD12 ILE 41 -8.625 9.538 -9.269 327 2HD1 ILE 41 HD11 ILE 41 -7.427 8.385 -8.683 328 3HD1 ILE 41 HD13 ILE 41 -9.051 7.836 -9.096 329 H SER 42 HN SER 42 -10.017 12.147 -4.633 330 HA SER 42 HA SER 42 -12.164 14.048 -5.163 331 1HB SER 42 HB2 SER 42 -10.360 15.458 -3.693 332 2HB SER 42 HB1 SER 42 -11.543 14.360 -2.989 333 HG SER 42 HG SER 42 -9.114 14.138 -2.550 334 H LEU 43 HN LEU 43 -8.643 13.982 -5.759 335 HA LEU 43 HA LEU 43 -8.985 15.563 -8.188 336 1HB LEU 43 HB2 LEU 43 -7.247 17.290 -7.210 337 2HB LEU 43 HB1 LEU 43 -8.969 17.500 -6.888 338 HG LEU 43 HG LEU 43 -8.645 16.198 -4.753 339 1HD1 LEU 43 HD13 LEU 43 -5.797 16.363 -5.720 340 2HD1 LEU 43 HD12 LEU 43 -6.152 16.265 -3.995 341 3HD1 LEU 43 HD11 LEU 43 -6.666 14.969 -5.077 342 1HD2 LEU 43 HD21 LEU 43 -8.430 18.822 -5.160 343 2HD2 LEU 43 HD23 LEU 43 -8.095 18.118 -3.578 344 3HD2 LEU 43 HD22 LEU 43 -6.764 18.525 -4.662 345 H GLY 44 HN GLY 44 -7.926 13.002 -7.701 346 1HA GLY 44 HA2 GLY 44 -5.964 11.705 -7.917 347 2HA GLY 44 HA1 GLY 44 -5.594 12.893 -9.165 348 HA PRO 45 HA PRO 45 -3.667 14.704 -4.983 349 1HB PRO 45 HB2 PRO 45 -3.478 12.364 -3.306 350 2HB PRO 45 HB1 PRO 45 -4.271 13.904 -2.962 351 1HG PRO 45 HG2 PRO 45 -5.498 11.399 -3.523 352 2HG PRO 45 HG1 PRO 45 -6.287 12.955 -3.245 353 1HD PRO 45 HD2 PRO 45 -6.125 11.497 -5.684 354 2HD PRO 45 HD1 PRO 45 -6.847 13.088 -5.423 355 H ARG 46 HN ARG 46 -2.959 11.196 -4.893 356 HA ARG 46 HA ARG 46 -0.718 11.267 -6.645 357 1HB ARG 46 HB2 ARG 46 -0.085 12.733 -4.481 358 2HB ARG 46 HB1 ARG 46 0.340 11.136 -3.864 359 1HG ARG 46 HG2 ARG 46 2.292 11.349 -4.972 360 2HG ARG 46 HG1 ARG 46 1.366 11.160 -6.461 361 1HD ARG 46 HD2 ARG 46 1.058 13.857 -5.560 362 2HD ARG 46 HD1 ARG 46 2.778 13.469 -5.554 363 HE ARG 46 HE ARG 46 1.891 12.505 -7.996 364 1HH1 ARG 46 HH21 ARG 46 1.731 15.499 -6.281 365 2HH1 ARG 46 HH22 ARG 46 1.729 16.468 -7.716 366 1HH2 ARG 46 HH12 ARG 46 1.887 13.759 -9.873 367 2HH2 ARG 46 HH11 ARG 46 1.817 15.485 -9.747 368 H CYS 47 HN CYS 47 -1.617 9.889 -3.447 369 HA CYS 47 HA CYS 47 -0.466 7.354 -3.956 370 1HB CYS 47 HB2 CYS 47 -2.938 7.743 -2.254 371 2HB CYS 47 HB1 CYS 47 -1.737 6.488 -2.093 372 H ILE 48 HN ILE 48 -3.564 8.696 -4.915 373 HA ILE 48 HA ILE 48 -4.717 6.206 -5.615 374 HB ILE 48 HB ILE 48 -6.317 7.449 -6.909 375 1HG1 ILE 48 HG12 ILE 48 -4.636 8.803 -8.219 376 2HG1 ILE 48 HG11 ILE 48 -6.016 9.729 -7.653 377 1HG2 ILE 48 HG21 ILE 48 -5.426 8.406 -4.317 378 2HG2 ILE 48 HG23 ILE 48 -6.242 9.672 -5.235 379 3HG2 ILE 48 HG22 ILE 48 -7.065 8.147 -4.914 380 1HD1 ILE 48 HD11 ILE 48 -4.636 10.390 -5.636 381 2HD1 ILE 48 HD13 ILE 48 -3.243 9.677 -6.444 382 3HD1 ILE 48 HD12 ILE 48 -4.075 11.047 -7.172 383 H LYS 49 HN LYS 49 -2.885 8.491 -7.747 384 HA LYS 49 HA LYS 49 -2.917 6.719 -9.994 385 1HB LYS 49 HB2 LYS 49 -1.426 9.150 -9.194 386 2HB LYS 49 HB1 LYS 49 -0.615 8.114 -10.369 387 1HG LYS 49 HG2 LYS 49 -2.752 8.111 -11.715 388 2HG LYS 49 HG1 LYS 49 -3.375 9.336 -10.610 389 1HD LYS 49 HD2 LYS 49 -1.739 10.921 -11.264 390 2HD LYS 49 HD1 LYS 49 -0.736 9.691 -12.031 391 1HE LYS 49 HE2 LYS 49 -3.462 9.824 -13.120 392 2HE LYS 49 HE1 LYS 49 -2.537 11.308 -13.353 393 1HZ LYS 49 HZ1 LYS 49 -0.713 9.910 -14.236 394 2HZ LYS 49 HZ3 LYS 49 -1.742 8.563 -14.156 395 3HZ LYS 49 HZ2 LYS 49 -2.123 9.861 -15.184 396 H ALA 50 HN ALA 50 -0.160 7.423 -7.800 397 HA ALA 50 HA ALA 50 1.561 5.356 -8.660 398 1HB ALA 50 HB1 ALA 50 1.096 6.276 -5.807 399 2HB ALA 50 HB3 ALA 50 2.496 5.372 -6.377 400 3HB ALA 50 HB2 ALA 50 2.220 7.020 -6.943 401 H PHE 51 HN PHE 51 -0.491 5.283 -5.838 402 HA PHE 51 HA PHE 51 -0.230 2.501 -5.525 403 1HB PHE 51 HB2 PHE 51 -1.082 2.965 -3.555 404 2HB PHE 51 HB1 PHE 51 -1.154 4.633 -4.008 405 HD1 PHE 51 HD1 PHE 51 -3.500 4.355 -5.997 406 HD2 PHE 51 HD2 PHE 51 -2.860 2.869 -2.052 407 HE1 PHE 51 HE1 PHE 51 -5.942 4.234 -5.637 408 HE2 PHE 51 HE2 PHE 51 -5.296 2.755 -1.688 409 HZ PHE 51 HZ PHE 51 -6.839 3.433 -3.488 410 H THR 52 HN THR 52 -2.049 4.159 -7.828 411 HA THR 52 HA THR 52 -4.353 2.359 -7.902 412 HB THR 52 HB THR 52 -3.336 4.603 -9.594 413 HG1 THR 52 HG1 THR 52 -5.942 4.414 -9.591 414 1HG2 THR 52 HG22 THR 52 -4.805 2.228 -10.711 415 2HG2 THR 52 HG21 THR 52 -5.160 3.840 -11.334 416 3HG2 THR 52 HG23 THR 52 -3.524 3.190 -11.447 417 H GLU 53 HN GLU 53 -1.370 2.809 -9.791 418 HA GLU 53 HA GLU 53 -1.800 0.333 -11.282 419 1HB GLU 53 HB2 GLU 53 0.922 1.544 -10.953 420 2HB GLU 53 HB1 GLU 53 0.174 0.850 -12.392 421 1HG GLU 53 HG2 GLU 53 -1.488 2.988 -11.781 422 2HG GLU 53 HG1 GLU 53 0.124 3.610 -11.425 423 H CYS 54 HN CYS 54 -0.190 1.258 -8.315 424 HA CYS 54 HA CYS 54 1.267 -1.242 -8.002 425 1HB CYS 54 HB2 CYS 54 2.236 0.541 -6.892 426 2HB CYS 54 HB1 CYS 54 0.697 1.178 -6.306 427 H CYS 55 HN CYS 55 -1.773 0.045 -6.721 428 HA CYS 55 HA CYS 55 -2.270 -2.287 -5.067 429 1HB CYS 55 HB2 CYS 55 -3.245 0.060 -4.688 430 2HB CYS 55 HB1 CYS 55 -4.386 -0.314 -5.977 431 H VAL 56 HN VAL 56 -3.312 -1.164 -8.266 432 HA VAL 56 HA VAL 56 -5.157 -3.310 -8.744 433 HB VAL 56 HB VAL 56 -4.940 -2.704 -11.127 434 1HG1 VAL 56 HG12 VAL 56 -5.206 -0.572 -9.030 435 2HG1 VAL 56 HG11 VAL 56 -5.272 -0.119 -10.734 436 3HG1 VAL 56 HG13 VAL 56 -6.444 -1.263 -10.080 437 1HG2 VAL 56 HG23 VAL 56 -2.534 -1.231 -10.072 438 2HG2 VAL 56 HG22 VAL 56 -2.655 -2.285 -11.481 439 3HG2 VAL 56 HG21 VAL 56 -3.356 -0.667 -11.527 440 H VAL 57 HN VAL 57 -1.710 -2.866 -9.686 441 HA VAL 57 HA VAL 57 -1.398 -5.415 -10.904 442 HB VAL 57 HB VAL 57 0.413 -3.834 -11.090 443 1HG1 VAL 57 HG12 VAL 57 -0.239 -3.041 -8.594 444 2HG1 VAL 57 HG11 VAL 57 1.182 -4.015 -8.224 445 3HG1 VAL 57 HG13 VAL 57 1.308 -2.653 -9.338 446 1HG2 VAL 57 HG21 VAL 57 0.777 -6.476 -10.336 447 2HG2 VAL 57 HG23 VAL 57 2.040 -5.416 -10.960 448 3HG2 VAL 57 HG22 VAL 57 1.829 -5.605 -9.220 449 H ALA 58 HN ALA 58 -0.829 -4.449 -7.502 450 HA ALA 58 HA ALA 58 -0.076 -6.900 -6.425 451 1HB ALA 58 HB1 ALA 58 -0.558 -4.554 -5.306 452 2HB ALA 58 HB3 ALA 58 -2.120 -5.288 -4.946 453 3HB ALA 58 HB2 ALA 58 -0.638 -6.032 -4.347 454 H SER 59 HN SER 59 -3.454 -5.760 -6.676 455 HA SER 59 HA SER 59 -4.578 -8.295 -5.892 456 1HB SER 59 HB2 SER 59 -6.336 -6.778 -7.623 457 2HB SER 59 HB1 SER 59 -6.502 -7.126 -5.902 458 HG SER 59 HG SER 59 -5.785 -4.846 -7.100 459 H GLN 60 HN GLN 60 -4.980 -6.724 -9.045 460 HA GLN 60 HA GLN 60 -5.893 -8.637 -10.659 461 1HB GLN 60 HB2 GLN 60 -4.754 -6.339 -11.249 462 2HB GLN 60 HB1 GLN 60 -3.361 -7.353 -11.624 463 1HG GLN 60 HG2 GLN 60 -4.296 -8.052 -13.551 464 2HG GLN 60 HG1 GLN 60 -5.794 -8.489 -12.728 465 1HE2 GLN 60 HE22 GLN 60 -6.371 -5.625 -15.158 466 2HE2 GLN 60 HE21 GLN 60 -5.623 -7.137 -15.343 467 H LEU 61 HN LEU 61 -2.326 -8.548 -10.051 468 HA LEU 61 HA LEU 61 -2.016 -11.183 -11.211 469 1HB LEU 61 HB2 LEU 61 -0.101 -10.254 -9.132 470 2HB LEU 61 HB1 LEU 61 0.203 -11.121 -10.625 471 HG LEU 61 HG LEU 61 0.060 -8.243 -10.099 472 1HD1 LEU 61 HD13 LEU 61 2.135 -9.472 -10.641 473 2HD1 LEU 61 HD12 LEU 61 1.451 -9.896 -12.210 474 3HD1 LEU 61 HD11 LEU 61 1.787 -8.208 -11.821 475 1HD2 LEU 61 HD23 LEU 61 -1.464 -9.511 -12.292 476 2HD2 LEU 61 HD22 LEU 61 -1.597 -7.879 -11.639 477 3HD2 LEU 61 HD21 LEU 61 -0.346 -8.254 -12.820 478 H ARG 62 HN ARG 62 -2.028 -10.035 -7.830 479 HA ARG 62 HA ARG 62 -1.690 -12.298 -6.387 480 1HB ARG 62 HB2 ARG 62 -3.430 -9.969 -6.051 481 2HB ARG 62 HB1 ARG 62 -4.072 -11.403 -5.250 482 1HG ARG 62 HG2 ARG 62 -1.940 -11.739 -4.086 483 2HG ARG 62 HG1 ARG 62 -1.251 -10.344 -4.918 484 1HD ARG 62 HD2 ARG 62 -3.605 -9.359 -3.823 485 2HD ARG 62 HD1 ARG 62 -2.990 -10.433 -2.568 486 HE ARG 62 HE ARG 62 -1.976 -7.854 -3.135 487 1HH1 ARG 62 HH21 ARG 62 -0.801 -11.089 -2.735 488 2HH1 ARG 62 HH22 ARG 62 0.833 -10.588 -2.476 489 1HH2 ARG 62 HH12 ARG 62 0.143 -7.209 -2.775 490 2HH2 ARG 62 HH11 ARG 62 1.366 -8.401 -2.489 491 H ALA 63 HN ALA 63 -4.614 -11.636 -8.300 492 HA ALA 63 HA ALA 63 -6.043 -14.000 -7.550 493 1HB ALA 63 HB1 ALA 63 -6.409 -11.891 -9.387 494 2HB ALA 63 HB3 ALA 63 -6.369 -13.357 -10.367 495 3HB ALA 63 HB2 ALA 63 -7.538 -13.204 -9.055 496 H ASN 64 HN ASN 64 -4.020 -13.376 -10.439 497 HA ASN 64 HA ASN 64 -3.088 -16.210 -10.273 498 1HB ASN 64 HB2 ASN 64 -4.619 -14.930 -12.435 499 2HB ASN 64 HB1 ASN 64 -3.145 -15.729 -12.986 500 1HD2 ASN 64 HD22 ASN 64 -4.697 -18.874 -12.823 501 2HD2 ASN 64 HD21 ASN 64 -3.607 -17.837 -13.611 502 H ILE 65 HN ILE 65 -1.368 -14.504 -9.243 503 HA ILE 65 HA ILE 65 0.223 -12.916 -11.004 504 HB ILE 65 HB ILE 65 1.851 -14.228 -8.948 505 1HG1 ILE 65 HG12 ILE 65 -0.746 -12.898 -8.162 506 2HG1 ILE 65 HG11 ILE 65 -0.215 -14.523 -7.735 507 1HG2 ILE 65 HG21 ILE 65 1.781 -11.797 -10.233 508 2HG2 ILE 65 HG23 ILE 65 1.095 -11.390 -8.661 509 3HG2 ILE 65 HG22 ILE 65 2.691 -12.115 -8.760 510 1HD1 ILE 65 HD12 ILE 65 1.876 -13.054 -6.794 511 2HD1 ILE 65 HD11 ILE 65 0.551 -11.915 -6.558 512 3HD1 ILE 65 HD13 ILE 65 0.486 -13.511 -5.811 513 H SER 66 HN SER 66 0.759 -13.912 -12.933 514 HA SER 66 HA SER 66 3.029 -15.631 -13.013 515 1HB SER 66 HB2 SER 66 2.192 -17.761 -13.287 516 2HB SER 66 HB1 SER 66 0.940 -17.120 -12.227 517 HG SER 66 HG SER 66 -0.264 -16.610 -14.100 518 H HIS 67 HN HIS 67 0.079 -14.524 -14.609 519 HA HIS 67 HA HIS 67 0.963 -15.018 -17.302 520 1HB HIS 67 HB2 HIS 67 -1.387 -14.622 -16.876 521 2HB HIS 67 HB1 HIS 67 -1.040 -13.043 -16.169 522 HD1 HIS 67 HD1 HIS 67 -2.334 -11.690 -17.938 523 HD2 HIS 67 HD2 HIS 67 0.625 -14.127 -19.574 524 HE1 HIS 67 HE1 HIS 67 -2.087 -10.988 -20.359 525 H LYS 68 HN LYS 68 0.261 -11.702 -16.397 526 HA LYS 68 HA LYS 68 3.032 -10.967 -17.262 527 1HB LYS 68 HB2 LYS 68 0.413 -10.053 -18.165 528 2HB LYS 68 HB1 LYS 68 1.426 -8.713 -17.625 529 1HG LYS 68 HG2 LYS 68 3.121 -9.202 -19.189 530 2HG LYS 68 HG1 LYS 68 2.526 -10.842 -19.453 531 1HD LYS 68 HD2 LYS 68 0.900 -10.163 -20.920 532 2HD LYS 68 HD1 LYS 68 0.631 -8.638 -20.077 533 1HE LYS 68 HE2 LYS 68 2.534 -7.624 -21.078 534 2HE LYS 68 HE1 LYS 68 3.170 -9.177 -21.624 535 1HZ LYS 68 HZ3 LYS 68 0.526 -8.284 -22.553 536 2HZ LYS 68 HZ2 LYS 68 1.924 -7.644 -23.277 537 3HZ LYS 68 HZ1 LYS 68 1.638 -9.318 -23.310 538 H ASP 69 HN ASP 69 3.708 -8.774 -16.338 539 HA ASP 69 HA ASP 69 2.627 -8.482 -13.562 540 1HB ASP 69 HB2 ASP 69 5.126 -9.342 -14.134 541 2HB ASP 69 HB1 ASP 69 5.406 -7.599 -14.134 542 H MET 70 HN MET 70 1.969 -6.443 -13.006 543 HA MET 70 HA MET 70 2.477 -4.275 -14.995 544 1HB MET 70 HB2 MET 70 0.108 -5.173 -13.724 545 2HB MET 70 HB1 MET 70 0.479 -3.593 -13.034 546 1HG MET 70 HG2 MET 70 -0.477 -2.726 -14.891 547 2HG MET 70 HG1 MET 70 0.992 -3.226 -15.731 548 1HE MET 70 HE3 MET 70 -1.624 -2.633 -16.910 549 2HE MET 70 HE2 MET 70 -0.643 -3.441 -18.130 550 3HE MET 70 HE1 MET 70 -2.297 -3.975 -17.846 551 H CYS 71 HN CYS 71 1.732 -2.151 -13.209 552 HA CYS 71 HA CYS 71 4.165 -1.342 -12.141 553 1HB CYS 71 HB2 CYS 71 1.317 -0.707 -11.424 554 2HB CYS 71 HB1 CYS 71 2.617 -0.043 -10.428 555 1H CYS 72 HN3 CYS 72 3.649 4.484 -11.790 556 2H CYS 72 HN2 CYS 72 2.165 3.668 -11.929 557 3H CYS 72 HN1 CYS 72 2.231 5.198 -11.192 558 HA CYS 72 HA CYS 72 2.029 3.544 -9.485 559 1HB CYS 72 HB2 CYS 72 4.444 2.204 -9.509 560 2HB CYS 72 HB1 CYS 72 2.871 1.528 -9.883 561 H LEU 73 HN LEU 73 5.446 4.014 -10.362 562 HA LEU 73 HA LEU 73 6.329 4.818 -7.843 563 1HB LEU 73 HB2 LEU 73 8.171 6.040 -9.139 564 2HB LEU 73 HB1 LEU 73 7.974 4.324 -9.492 565 HG LEU 73 HG LEU 73 6.197 5.559 -11.242 566 1HD1 LEU 73 HD11 LEU 73 8.714 7.195 -10.885 567 2HD1 LEU 73 HD13 LEU 73 7.823 7.180 -12.407 568 3HD1 LEU 73 HD12 LEU 73 7.044 7.760 -10.935 569 1HD2 LEU 73 HD21 LEU 73 8.965 4.398 -11.466 570 2HD2 LEU 73 HD23 LEU 73 7.433 3.725 -12.021 571 3HD2 LEU 73 HD22 LEU 73 8.175 5.064 -12.896 572 H GLY 74 HN GLY 74 7.488 7.291 -7.904 573 1HA GLY 74 HA2 GLY 74 5.369 9.267 -8.547 574 2HA GLY 74 HA1 GLY 74 5.872 9.134 -6.862 575 1HN DAR 75 HN ARG 75 6.213 11.376 -8.841 576 HA DAR 75 HA ARG 75 8.935 11.583 -9.655 577 1HB DAR 75 HB1 ARG 75 8.898 11.502 -6.964 578 2HB DAR 75 HB2 ARG 75 8.611 13.227 -7.192 579 1HG DAR 75 HG1 ARG 75 10.637 13.477 -8.459 580 2HG DAR 75 HG2 ARG 75 10.853 11.730 -8.572 581 1HD DAR 75 HD1 ARG 75 11.872 11.640 -6.559 582 2HD DAR 75 HD2 ARG 75 10.604 12.607 -5.810 583 HNE DAR 75 HE ARG 75 12.125 14.361 -5.825 584 1HH1 DAR 75 HH11 ARG 75 13.496 15.828 -6.827 585 2HH1 DAR 75 HH12 ARG 75 14.182 15.444 -8.370 586 1HH2 DAR 75 HH21 ARG 75 12.663 12.342 -8.587 587 2HH2 DAR 75 HH22 ARG 75 13.705 13.483 -9.364 No H/Q in entry = 587 Start of MODEL 7 1 1H MET 1 HN1 MET 1 8.294 -19.625 0.287 2 2H MET 1 HN3 MET 1 9.808 -20.239 0.742 3 3H MET 1 HN2 MET 1 8.856 -19.404 1.875 4 HA MET 1 HA MET 1 10.047 -17.614 1.352 5 1HB MET 1 HB2 MET 1 10.844 -19.301 -1.014 6 2HB MET 1 HB1 MET 1 11.298 -17.600 -0.931 7 1HG MET 1 HG2 MET 1 12.989 -18.109 0.460 8 2HG MET 1 HG1 MET 1 11.842 -18.790 1.613 9 1HE MET 1 HE2 MET 1 14.709 -19.161 0.777 10 2HE MET 1 HE1 MET 1 14.694 -20.688 1.653 11 3HE MET 1 HE3 MET 1 15.169 -20.647 -0.049 12 H LEU 2 HN LEU 2 7.226 -18.108 0.582 13 HA LEU 2 HA LEU 2 7.028 -16.128 -1.655 14 1HB LEU 2 HB2 LEU 2 4.904 -18.140 -0.877 15 2HB LEU 2 HB1 LEU 2 4.980 -17.165 -2.344 16 HG LEU 2 HG LEU 2 7.413 -18.697 -2.048 17 1HD1 LEU 2 HD11 LEU 2 5.238 -20.047 -0.971 18 2HD1 LEU 2 HD13 LEU 2 5.288 -20.624 -2.638 19 3HD1 LEU 2 HD12 LEU 2 6.704 -20.799 -1.600 20 1HD2 LEU 2 HD21 LEU 2 5.568 -17.824 -4.042 21 2HD2 LEU 2 HD23 LEU 2 7.162 -18.542 -4.282 22 3HD2 LEU 2 HD22 LEU 2 5.733 -19.573 -4.204 23 H GLN 3 HN GLN 3 7.144 -14.425 -0.003 24 HA GLN 3 HA GLN 3 4.480 -13.947 1.214 25 1HB GLN 3 HB2 GLN 3 5.758 -13.082 3.290 26 2HB GLN 3 HB1 GLN 3 5.583 -14.828 3.109 27 1HG GLN 3 HG2 GLN 3 7.919 -14.049 1.673 28 2HG GLN 3 HG1 GLN 3 7.999 -13.298 3.268 29 1HE2 GLN 3 HE22 GLN 3 9.322 -16.858 3.381 30 2HE2 GLN 3 HE21 GLN 3 9.674 -15.549 2.359 31 H LYS 4 HN LYS 4 7.694 -12.672 0.426 32 HA LYS 4 HA LYS 4 6.597 -9.914 0.457 33 1HB LYS 4 HB2 LYS 4 9.434 -10.858 -0.056 34 2HB LYS 4 HB1 LYS 4 8.918 -9.193 0.216 35 1HG LYS 4 HG2 LYS 4 8.135 -11.175 2.290 36 2HG LYS 4 HG1 LYS 4 9.848 -10.766 2.202 37 1HD LYS 4 HD2 LYS 4 8.570 -8.303 1.968 38 2HD LYS 4 HD1 LYS 4 7.609 -9.161 3.174 39 1HE LYS 4 HE2 LYS 4 9.334 -9.248 4.688 40 2HE LYS 4 HE1 LYS 4 10.568 -9.361 3.433 41 1HZ LYS 4 HZ3 LYS 4 9.121 -6.874 3.421 42 2HZ LYS 4 HZ2 LYS 4 9.994 -7.139 4.854 43 3HZ LYS 4 HZ1 LYS 4 10.792 -7.157 3.355 44 H LYS 5 HN LYS 5 5.479 -9.528 -1.423 45 HA LYS 5 HA LYS 5 6.890 -10.176 -3.982 46 1HB LYS 5 HB2 LYS 5 3.947 -10.280 -3.292 47 2HB LYS 5 HB1 LYS 5 4.516 -10.205 -4.961 48 1HG LYS 5 HG2 LYS 5 5.547 -12.276 -3.018 49 2HG LYS 5 HG1 LYS 5 4.102 -12.550 -3.992 50 1HD LYS 5 HD2 LYS 5 6.094 -11.519 -5.738 51 2HD LYS 5 HD1 LYS 5 6.855 -12.788 -4.778 52 1HE LYS 5 HE2 LYS 5 4.133 -13.343 -5.866 53 2HE LYS 5 HE1 LYS 5 5.479 -13.346 -7.006 54 1HZ LYS 5 HZ3 LYS 5 5.591 -14.835 -4.455 55 2HZ LYS 5 HZ2 LYS 5 4.932 -15.521 -5.863 56 3HZ LYS 5 HZ1 LYS 5 6.560 -15.033 -5.833 57 H ILE 6 HN ILE 6 3.946 -8.265 -3.477 58 HA ILE 6 HA ILE 6 5.105 -6.057 -4.988 59 HB ILE 6 HB ILE 6 2.443 -6.715 -3.804 60 1HG1 ILE 6 HG12 ILE 6 3.257 -7.100 -6.221 61 2HG1 ILE 6 HG11 ILE 6 1.688 -6.321 -6.019 62 1HG2 ILE 6 HG21 ILE 6 3.333 -3.887 -4.441 63 2HG2 ILE 6 HG23 ILE 6 1.646 -4.380 -4.287 64 3HG2 ILE 6 HG22 ILE 6 2.726 -4.485 -2.896 65 1HD1 ILE 6 HD11 ILE 6 4.125 -4.585 -6.179 66 2HD1 ILE 6 HD13 ILE 6 3.503 -5.299 -7.667 67 3HD1 ILE 6 HD12 ILE 6 2.474 -4.245 -6.698 68 H GLU 7 HN GLU 7 5.597 -7.037 -1.894 69 HA GLU 7 HA GLU 7 5.246 -4.753 -0.266 70 1HB GLU 7 HB2 GLU 7 6.702 -7.243 -0.128 71 2HB GLU 7 HB1 GLU 7 7.701 -5.931 0.498 72 1HG GLU 7 HG2 GLU 7 6.535 -6.244 2.424 73 2HG GLU 7 HG1 GLU 7 5.263 -5.337 1.605 74 H GLU 8 HN GLU 8 8.491 -5.701 -1.443 75 HA GLU 8 HA GLU 8 9.424 -2.971 -1.276 76 1HB GLU 8 HB2 GLU 8 11.474 -3.803 -2.320 77 2HB GLU 8 HB1 GLU 8 10.932 -4.978 -1.121 78 1HG GLU 8 HG2 GLU 8 9.885 -6.328 -2.885 79 2HG GLU 8 HG1 GLU 8 10.373 -5.142 -4.097 80 H ILE 9 HN ILE 9 7.887 -4.871 -3.801 81 HA ILE 9 HA ILE 9 8.600 -3.271 -6.052 82 HB ILE 9 HB ILE 9 5.858 -4.449 -5.472 83 1HG1 ILE 9 HG12 ILE 9 7.804 -6.072 -5.262 84 2HG1 ILE 9 HG11 ILE 9 6.624 -6.486 -6.506 85 1HG2 ILE 9 HG22 ILE 9 7.016 -3.008 -7.698 86 2HG2 ILE 9 HG21 ILE 9 6.542 -4.632 -8.197 87 3HG2 ILE 9 HG23 ILE 9 5.353 -3.550 -7.473 88 1HD1 ILE 9 HD12 ILE 9 8.854 -4.728 -7.367 89 2HD1 ILE 9 HD11 ILE 9 9.289 -6.391 -6.977 90 3HD1 ILE 9 HD13 ILE 9 8.081 -6.065 -8.219 91 H ALA 10 HN ALA 10 6.516 -2.833 -3.318 92 HA ALA 10 HA ALA 10 5.398 -0.278 -4.271 93 1HB ALA 10 HB2 ALA 10 5.166 -1.854 -1.687 94 2HB ALA 10 HB1 ALA 10 4.456 -0.252 -1.890 95 3HB ALA 10 HB3 ALA 10 3.913 -1.592 -2.900 96 H ALA 11 HN ALA 11 7.928 -1.563 -2.238 97 HA ALA 11 HA ALA 11 8.630 0.756 -0.779 98 1HB ALA 11 HB2 ALA 11 10.412 -1.460 -1.791 99 2HB ALA 11 HB1 ALA 11 10.871 -0.271 -0.572 100 3HB ALA 11 HB3 ALA 11 9.578 -1.422 -0.238 101 H LYS 12 HN LYS 12 9.168 -0.134 -4.103 102 HA LYS 12 HA LYS 12 11.291 1.815 -4.570 103 1HB LYS 12 HB2 LYS 12 11.076 -0.278 -5.900 104 2HB LYS 12 HB1 LYS 12 9.560 0.331 -6.567 105 1HG LYS 12 HG2 LYS 12 11.314 0.837 -8.152 106 2HG LYS 12 HG1 LYS 12 10.826 2.352 -7.388 107 1HD LYS 12 HD2 LYS 12 13.263 2.236 -7.452 108 2HD LYS 12 HD1 LYS 12 12.716 2.104 -5.780 109 1HE LYS 12 HE2 LYS 12 13.856 0.169 -5.622 110 2HE LYS 12 HE1 LYS 12 12.729 -0.531 -6.786 111 1HZ LYS 12 HZ2 LYS 12 14.602 1.082 -8.136 112 2HZ LYS 12 HZ1 LYS 12 15.434 -0.015 -7.141 113 3HZ LYS 12 HZ3 LYS 12 14.328 -0.587 -8.293 114 H TYR 13 HN TYR 13 7.893 1.979 -4.367 115 HA TYR 13 HA TYR 13 7.452 4.106 -6.274 116 1HB TYR 13 HB2 TYR 13 5.866 3.098 -3.886 117 2HB TYR 13 HB1 TYR 13 5.326 4.465 -4.843 118 HD1 TYR 13 HD1 TYR 13 6.985 1.287 -5.800 119 HD2 TYR 13 HD2 TYR 13 3.473 3.750 -6.220 120 HE1 TYR 13 HE1 TYR 13 6.099 -0.275 -7.489 121 HE2 TYR 13 HE2 TYR 13 2.623 2.197 -7.917 122 HH TYR 13 HH TYR 13 2.986 -0.377 -8.414 123 H LYS 14 HN LYS 14 9.113 5.577 -5.908 124 HA LYS 14 HA LYS 14 10.558 6.832 -4.332 125 1HB LYS 14 HB2 LYS 14 8.843 8.010 -6.107 126 2HB LYS 14 HB1 LYS 14 8.433 8.840 -4.607 127 1HG LYS 14 HG2 LYS 14 10.259 9.999 -5.818 128 2HG LYS 14 HG1 LYS 14 10.789 9.411 -4.244 129 1HD LYS 14 HD2 LYS 14 12.361 8.979 -6.235 130 2HD LYS 14 HD1 LYS 14 11.989 7.599 -5.204 131 1HE LYS 14 HE2 LYS 14 10.220 6.902 -6.795 132 2HE LYS 14 HE1 LYS 14 10.633 8.265 -7.835 133 1HZ LYS 14 HZ1 LYS 14 12.949 7.335 -7.860 134 2HZ LYS 14 HZ3 LYS 14 12.320 5.932 -7.143 135 3HZ LYS 14 HZ2 LYS 14 11.780 6.414 -8.680 136 H HIS 15 HN HIS 15 10.855 6.747 -2.211 137 HA HIS 15 HA HIS 15 8.904 6.350 -0.228 138 1HB HIS 15 HB2 HIS 15 10.638 7.145 1.374 139 2HB HIS 15 HB1 HIS 15 11.266 5.976 0.214 140 HD1 HIS 15 HD1 HIS 15 13.109 8.072 1.623 141 HD2 HIS 15 HD2 HIS 15 11.431 8.577 -2.160 142 HE1 HIS 15 HE1 HIS 15 14.570 9.743 0.409 143 H SER 16 HN SER 16 9.733 9.301 -1.874 144 HA SER 16 HA SER 16 9.148 11.321 -0.080 145 1HB SER 16 HB2 SER 16 7.653 12.104 -2.272 146 2HB SER 16 HB1 SER 16 9.385 12.362 -2.078 147 HG SER 16 HG SER 16 7.994 10.493 -3.602 148 H VAL 17 HN VAL 17 6.571 10.034 -2.162 149 HA VAL 17 HA VAL 17 4.785 9.798 0.186 150 HB VAL 17 HB VAL 17 4.324 11.617 -2.189 151 1HG1 VAL 17 HG11 VAL 17 2.389 10.053 -0.582 152 2HG1 VAL 17 HG13 VAL 17 2.005 11.762 -0.781 153 3HG1 VAL 17 HG12 VAL 17 2.219 10.736 -2.200 154 1HG2 VAL 17 HG23 VAL 17 5.403 12.473 -0.067 155 2HG2 VAL 17 HG22 VAL 17 3.891 13.278 -0.487 156 3HG2 VAL 17 HG21 VAL 17 3.915 12.055 0.783 157 H VAL 18 HN VAL 18 5.107 9.527 -3.342 158 HA VAL 18 HA VAL 18 3.062 7.771 -3.992 159 HB VAL 18 HB VAL 18 4.600 8.608 -5.674 160 1HG1 VAL 18 HG13 VAL 18 6.612 6.960 -4.135 161 2HG1 VAL 18 HG12 VAL 18 6.938 7.645 -5.725 162 3HG1 VAL 18 HG11 VAL 18 6.618 8.707 -4.353 163 1HG2 VAL 18 HG23 VAL 18 3.859 5.857 -5.414 164 2HG2 VAL 18 HG22 VAL 18 4.135 6.770 -6.897 165 3HG2 VAL 18 HG21 VAL 18 5.471 5.917 -6.125 166 H LYS 19 HN LYS 19 5.869 7.105 -2.011 167 HA LYS 19 HA LYS 19 5.816 4.237 -2.270 168 1HB LYS 19 HB2 LYS 19 7.802 4.917 -1.300 169 2HB LYS 19 HB1 LYS 19 7.037 6.217 -0.398 170 1HG LYS 19 HG2 LYS 19 6.704 4.887 1.421 171 2HG LYS 19 HG1 LYS 19 6.163 3.528 0.437 172 1HD LYS 19 HD2 LYS 19 8.222 2.588 0.377 173 2HD LYS 19 HD1 LYS 19 9.026 4.140 0.148 174 1HE LYS 19 HE2 LYS 19 9.228 4.529 2.416 175 2HE LYS 19 HE1 LYS 19 7.783 3.597 2.809 176 1HZ LYS 19 HZ3 LYS 19 9.362 1.706 1.782 177 2HZ LYS 19 HZ2 LYS 19 10.525 2.719 2.496 178 3HZ LYS 19 HZ1 LYS 19 9.273 2.063 3.438 179 H LYS 20 HN LYS 20 5.056 5.901 0.785 180 HA LYS 20 HA LYS 20 3.426 3.951 1.885 181 1HB LYS 20 HB2 LYS 20 4.007 5.916 3.179 182 2HB LYS 20 HB1 LYS 20 3.123 6.965 2.068 183 1HG LYS 20 HG2 LYS 20 1.665 6.655 3.924 184 2HG LYS 20 HG1 LYS 20 1.045 5.586 2.666 185 1HD LYS 20 HD2 LYS 20 1.218 3.891 4.140 186 2HD LYS 20 HD1 LYS 20 2.970 4.060 4.022 187 1HE LYS 20 HE2 LYS 20 3.088 5.443 5.929 188 2HE LYS 20 HE1 LYS 20 1.366 5.824 5.867 189 1HZ LYS 20 HZ1 LYS 20 1.417 3.119 6.083 190 2HZ LYS 20 HZ3 LYS 20 2.700 3.596 7.083 191 3HZ LYS 20 HZ2 LYS 20 1.140 4.207 7.358 192 H CYS 21 HN CYS 21 2.684 6.018 -0.795 193 HA CYS 21 HA CYS 21 -0.205 5.766 -0.753 194 1HB CYS 21 HB2 CYS 21 1.689 6.127 -3.076 195 2HB CYS 21 HB1 CYS 21 -0.051 6.348 -3.060 196 H CYS 22 HN CYS 22 2.098 4.307 -3.072 197 HA CYS 22 HA CYS 22 0.424 2.399 -4.118 198 1HB CYS 22 HB2 CYS 22 2.328 2.396 -5.240 199 2HB CYS 22 HB1 CYS 22 3.336 2.662 -3.828 200 H TYR 23 HN TYR 23 2.324 2.248 -1.126 201 HA TYR 23 HA TYR 23 1.679 -0.439 -0.422 202 1HB TYR 23 HB2 TYR 23 2.351 2.030 1.178 203 2HB TYR 23 HB1 TYR 23 1.853 0.550 1.998 204 HD1 TYR 23 HD2 TYR 23 4.317 1.944 -0.410 205 HD2 TYR 23 HD1 TYR 23 3.357 -1.286 2.245 206 HE1 TYR 23 HE2 TYR 23 6.605 1.042 -0.690 207 HE2 TYR 23 HE1 TYR 23 5.650 -2.198 1.960 208 HH TYR 23 HH TYR 23 8.013 -1.045 1.294 209 H ASP 24 HN ASP 24 0.073 2.656 0.246 210 HA ASP 24 HA ASP 24 -2.161 1.823 1.687 211 1HB ASP 24 HB2 ASP 24 -1.675 4.044 -0.305 212 2HB ASP 24 HB1 ASP 24 -3.347 3.672 0.151 213 H GLY 25 HN GLY 25 -1.763 1.870 -1.832 214 1HA GLY 25 HA2 GLY 25 -4.269 0.890 -2.619 215 2HA GLY 25 HA1 GLY 25 -2.771 0.621 -3.509 216 H ALA 26 HN ALA 26 -1.291 -1.105 -2.310 217 HA ALA 26 HA ALA 26 -2.989 -3.515 -2.136 218 1HB ALA 26 HB2 ALA 26 0.007 -3.101 -2.172 219 2HB ALA 26 HB1 ALA 26 -0.744 -4.688 -2.005 220 3HB ALA 26 HB3 ALA 26 -1.006 -3.738 -3.467 221 H SER 27 HN SER 27 -2.498 -1.334 0.133 222 HA SER 27 HA SER 27 -1.641 -3.208 2.257 223 1HB SER 27 HB2 SER 27 -1.839 -0.258 2.063 224 2HB SER 27 HB1 SER 27 -1.838 -1.017 3.638 225 HG SER 27 HG SER 27 0.072 -1.743 1.708 226 H VAL 28 HN VAL 28 -4.244 -0.853 1.636 227 HA VAL 28 HA VAL 28 -5.793 -1.812 3.896 228 HB VAL 28 HB VAL 28 -7.207 -0.423 1.675 229 1HG1 VAL 28 HG11 VAL 28 -7.086 -0.414 4.672 230 2HG1 VAL 28 HG13 VAL 28 -7.712 1.012 3.845 231 3HG1 VAL 28 HG12 VAL 28 -8.488 -0.555 3.614 232 1HG2 VAL 28 HG23 VAL 28 -4.670 0.525 2.846 233 2HG2 VAL 28 HG22 VAL 28 -5.507 1.069 1.394 234 3HG2 VAL 28 HG21 VAL 28 -5.995 1.681 2.974 235 H ASN 29 HN ASN 29 -8.296 -2.340 3.168 236 HA ASN 29 HA ASN 29 -8.477 -4.993 2.522 237 1HB ASN 29 HB2 ASN 29 -10.292 -2.830 2.646 238 2HB ASN 29 HB1 ASN 29 -10.621 -3.652 1.125 239 1HD2 ASN 29 HD22 ASN 29 -10.954 -6.817 3.258 240 2HD2 ASN 29 HD21 ASN 29 -9.720 -6.317 2.209 241 H ASN 30 HN ASN 30 -9.147 -6.105 0.484 242 HA ASN 30 HA ASN 30 -7.341 -5.936 -1.586 243 1HB ASN 30 HB2 ASN 30 -10.273 -6.685 -1.704 244 2HB ASN 30 HB1 ASN 30 -9.162 -6.927 -3.052 245 1HD2 ASN 30 HD22 ASN 30 -7.150 -9.270 -0.968 246 2HD2 ASN 30 HD21 ASN 30 -6.846 -7.822 -1.802 247 H ASP 31 HN ASP 31 -10.050 -3.789 -1.005 248 HA ASP 31 HA ASP 31 -9.040 -2.046 -3.152 249 1HB ASP 31 HB2 ASP 31 -11.587 -3.563 -3.311 250 2HB ASP 31 HB1 ASP 31 -11.658 -1.866 -3.789 251 H GLU 32 HN GLU 32 -9.672 -2.126 -0.071 252 HA GLU 32 HA GLU 32 -11.726 -0.317 0.538 253 1HB GLU 32 HB2 GLU 32 -10.673 -1.154 2.437 254 2HB GLU 32 HB1 GLU 32 -9.055 -0.846 1.812 255 1HG GLU 32 HG2 GLU 32 -9.048 1.304 2.584 256 2HG GLU 32 HG1 GLU 32 -10.743 1.559 2.170 257 H THR 33 HN THR 33 -8.355 0.828 0.578 258 HA THR 33 HA THR 33 -9.162 3.500 -0.218 259 HB THR 33 HB THR 33 -6.343 2.451 -0.383 260 HG1 THR 33 HG1 THR 33 -7.628 3.364 1.968 261 1HG2 THR 33 HG22 THR 33 -7.211 4.850 -1.002 262 2HG2 THR 33 HG21 THR 33 -7.234 5.079 0.747 263 3HG2 THR 33 HG23 THR 33 -5.725 4.669 -0.069 264 H CYS 34 HN CYS 34 -7.612 0.749 -1.807 265 HA CYS 34 HA CYS 34 -6.773 1.567 -4.262 266 1HB CYS 34 HB2 CYS 34 -7.427 -0.820 -3.328 267 2HB CYS 34 HB1 CYS 34 -8.910 -0.540 -4.239 268 H GLU 35 HN GLU 35 -10.135 1.553 -3.174 269 HA GLU 35 HA GLU 35 -11.103 2.532 -5.788 270 1HB GLU 35 HB2 GLU 35 -12.266 0.875 -4.059 271 2HB GLU 35 HB1 GLU 35 -12.878 2.388 -3.392 272 1HG GLU 35 HG2 GLU 35 -14.462 2.344 -4.996 273 2HG GLU 35 HG1 GLU 35 -13.179 2.665 -6.163 274 H GLN 36 HN GLN 36 -11.842 3.689 -2.478 275 HA GLN 36 HA GLN 36 -12.717 6.222 -3.070 276 1HB GLN 36 HB2 GLN 36 -10.962 5.283 -0.803 277 2HB GLN 36 HB1 GLN 36 -11.530 6.951 -0.895 278 1HG GLN 36 HG2 GLN 36 -13.864 5.686 -1.340 279 2HG GLN 36 HG1 GLN 36 -13.062 4.455 -0.365 280 1HE2 GLN 36 HE22 GLN 36 -13.404 6.264 2.642 281 2HE2 GLN 36 HE21 GLN 36 -12.910 4.827 1.885 282 H ARG 37 HN ARG 37 -9.455 5.079 -3.416 283 HA ARG 37 HA ARG 37 -8.484 7.818 -3.956 284 1HB ARG 37 HB2 ARG 37 -7.310 5.355 -2.948 285 2HB ARG 37 HB1 ARG 37 -6.361 6.035 -4.267 286 1HG ARG 37 HG2 ARG 37 -5.716 6.869 -1.976 287 2HG ARG 37 HG1 ARG 37 -6.143 8.136 -3.117 288 1HD ARG 37 HD2 ARG 37 -8.566 7.810 -2.101 289 2HD ARG 37 HD1 ARG 37 -7.670 7.132 -0.741 290 HE ARG 37 HE ARG 37 -6.374 9.522 -1.242 291 1HH1 ARG 37 HH21 ARG 37 -9.640 8.528 -0.712 292 2HH1 ARG 37 HH22 ARG 37 -10.105 10.016 0.043 293 1HH2 ARG 37 HH12 ARG 37 -6.971 11.465 -0.259 294 2HH2 ARG 37 HH11 ARG 37 -8.597 11.676 0.298 295 H ALA 38 HN ALA 38 -8.610 4.581 -5.545 296 HA ALA 38 HA ALA 38 -7.516 5.651 -8.020 297 1HB ALA 38 HB3 ALA 38 -7.482 3.205 -7.296 298 2HB ALA 38 HB2 ALA 38 -9.186 3.144 -7.745 299 3HB ALA 38 HB1 ALA 38 -7.964 3.501 -8.966 300 H ALA 39 HN ALA 39 -10.803 4.578 -7.118 301 HA ALA 39 HA ALA 39 -12.021 5.585 -9.520 302 1HB ALA 39 HB1 ALA 39 -12.966 4.536 -6.900 303 2HB ALA 39 HB3 ALA 39 -14.097 5.545 -7.801 304 3HB ALA 39 HB2 ALA 39 -13.447 4.080 -8.534 305 H ARG 40 HN ARG 40 -13.025 6.776 -6.339 306 HA ARG 40 HA ARG 40 -13.706 9.362 -7.249 307 1HB ARG 40 HB2 ARG 40 -14.013 8.067 -4.897 308 2HB ARG 40 HB1 ARG 40 -12.681 9.140 -4.466 309 1HG ARG 40 HG2 ARG 40 -13.934 11.076 -4.867 310 2HG ARG 40 HG1 ARG 40 -15.075 10.236 -5.919 311 1HD ARG 40 HD2 ARG 40 -16.288 10.550 -3.916 312 2HD ARG 40 HD1 ARG 40 -15.718 8.884 -3.805 313 HE ARG 40 HE ARG 40 -13.720 10.352 -2.566 314 1HH1 ARG 40 HH21 ARG 40 -17.150 10.056 -2.278 315 2HH1 ARG 40 HH22 ARG 40 -17.165 10.398 -0.581 316 1HH2 ARG 40 HH12 ARG 40 -13.731 10.799 -0.353 317 2HH2 ARG 40 HH11 ARG 40 -15.233 10.819 0.507 318 H ILE 41 HN ILE 41 -12.125 10.394 -8.473 319 HA ILE 41 HA ILE 41 -9.672 11.198 -6.970 320 HB ILE 41 HB ILE 41 -9.875 10.043 -9.752 321 1HG1 ILE 41 HG12 ILE 41 -7.874 9.610 -7.517 322 2HG1 ILE 41 HG11 ILE 41 -9.325 8.629 -7.736 323 1HG2 ILE 41 HG22 ILE 41 -8.229 12.286 -8.908 324 2HG2 ILE 41 HG21 ILE 41 -7.232 10.909 -9.372 325 3HG2 ILE 41 HG23 ILE 41 -8.401 11.574 -10.512 326 1HD1 ILE 41 HD13 ILE 41 -8.556 8.087 -10.053 327 2HD1 ILE 41 HD12 ILE 41 -7.062 8.962 -9.725 328 3HD1 ILE 41 HD11 ILE 41 -7.449 7.505 -8.810 329 H SER 42 HN SER 42 -11.171 13.126 -6.652 330 HA SER 42 HA SER 42 -12.184 14.768 -8.671 331 1HB SER 42 HB2 SER 42 -10.676 15.886 -6.299 332 2HB SER 42 HB1 SER 42 -12.066 16.583 -7.126 333 HG SER 42 HG SER 42 -12.163 15.134 -5.018 334 H LEU 43 HN LEU 43 -8.940 15.126 -7.205 335 HA LEU 43 HA LEU 43 -7.982 16.117 -9.860 336 1HB LEU 43 HB2 LEU 43 -6.292 17.445 -8.462 337 2HB LEU 43 HB1 LEU 43 -7.956 18.025 -8.425 338 HG LEU 43 HG LEU 43 -8.298 16.671 -6.325 339 1HD1 LEU 43 HD13 LEU 43 -5.458 16.038 -6.937 340 2HD1 LEU 43 HD12 LEU 43 -5.848 16.333 -5.243 341 3HD1 LEU 43 HD11 LEU 43 -6.680 15.056 -6.130 342 1HD2 LEU 43 HD21 LEU 43 -7.124 19.178 -6.689 343 2HD2 LEU 43 HD23 LEU 43 -7.805 18.560 -5.184 344 3HD2 LEU 43 HD22 LEU 43 -6.081 18.385 -5.509 345 H GLY 44 HN GLY 44 -7.787 13.690 -7.585 346 1HA GLY 44 HA2 GLY 44 -6.282 11.942 -7.241 347 2HA GLY 44 HA1 GLY 44 -5.649 12.313 -8.843 348 HA PRO 45 HA PRO 45 -3.289 14.839 -5.213 349 1HB PRO 45 HB2 PRO 45 -2.826 12.651 -3.424 350 2HB PRO 45 HB1 PRO 45 -3.675 14.163 -3.092 351 1HG PRO 45 HG2 PRO 45 -4.774 11.518 -3.453 352 2HG PRO 45 HG1 PRO 45 -5.598 13.002 -2.965 353 1HD PRO 45 HD2 PRO 45 -5.902 11.659 -5.409 354 2HD PRO 45 HD1 PRO 45 -6.475 13.288 -5.027 355 H ARG 46 HN ARG 46 -2.650 11.326 -5.090 356 HA ARG 46 HA ARG 46 -0.662 11.262 -7.117 357 1HB ARG 46 HB2 ARG 46 0.422 12.817 -5.358 358 2HB ARG 46 HB1 ARG 46 0.598 11.362 -4.375 359 1HG ARG 46 HG2 ARG 46 2.639 11.550 -5.592 360 2HG ARG 46 HG1 ARG 46 1.715 10.295 -6.417 361 1HD ARG 46 HD2 ARG 46 1.171 11.693 -8.216 362 2HD ARG 46 HD1 ARG 46 1.462 13.163 -7.286 363 HE ARG 46 HE ARG 46 3.948 11.946 -7.391 364 1HH1 ARG 46 HH21 ARG 46 1.527 12.885 -9.669 365 2HH1 ARG 46 HH22 ARG 46 2.662 13.200 -10.939 366 1HH2 ARG 46 HH12 ARG 46 5.435 12.354 -9.041 367 2HH2 ARG 46 HH11 ARG 46 4.870 12.899 -10.585 368 H CYS 47 HN CYS 47 -1.478 10.046 -3.860 369 HA CYS 47 HA CYS 47 -0.380 7.456 -4.248 370 1HB CYS 47 HB2 CYS 47 -2.827 8.029 -2.551 371 2HB CYS 47 HB1 CYS 47 -1.697 6.719 -2.347 372 H ILE 48 HN ILE 48 -3.287 8.917 -5.465 373 HA ILE 48 HA ILE 48 -4.607 6.419 -5.965 374 HB ILE 48 HB ILE 48 -6.065 7.729 -7.463 375 1HG1 ILE 48 HG12 ILE 48 -5.448 10.313 -7.398 376 2HG1 ILE 48 HG11 ILE 48 -3.811 9.689 -7.277 377 1HG2 ILE 48 HG22 ILE 48 -5.304 9.184 -4.920 378 2HG2 ILE 48 HG21 ILE 48 -6.802 9.437 -5.814 379 3HG2 ILE 48 HG23 ILE 48 -6.477 7.877 -5.061 380 1HD1 ILE 48 HD11 ILE 48 -5.184 8.190 -9.289 381 2HD1 ILE 48 HD13 ILE 48 -5.450 9.905 -9.605 382 3HD1 ILE 48 HD12 ILE 48 -3.808 9.274 -9.491 383 H LYS 49 HN LYS 49 -2.704 8.564 -8.163 384 HA LYS 49 HA LYS 49 -2.788 6.724 -10.354 385 1HB LYS 49 HB2 LYS 49 -1.535 9.236 -9.759 386 2HB LYS 49 HB1 LYS 49 -0.321 8.145 -10.428 387 1HG LYS 49 HG2 LYS 49 -2.714 7.792 -11.938 388 2HG LYS 49 HG1 LYS 49 -2.413 9.527 -11.812 389 1HD LYS 49 HD2 LYS 49 0.081 8.190 -12.294 390 2HD LYS 49 HD1 LYS 49 -1.093 7.655 -13.496 391 1HE LYS 49 HE2 LYS 49 -1.283 10.521 -13.026 392 2HE LYS 49 HE1 LYS 49 0.339 10.056 -13.539 393 1HZ LYS 49 HZ3 LYS 49 -0.736 8.781 -15.364 394 2HZ LYS 49 HZ2 LYS 49 -2.221 9.480 -14.924 395 3HZ LYS 49 HZ1 LYS 49 -0.948 10.461 -15.475 396 H ALA 50 HN ALA 50 -0.053 7.404 -8.126 397 HA ALA 50 HA ALA 50 1.607 5.257 -8.908 398 1HB ALA 50 HB2 ALA 50 1.186 6.286 -6.086 399 2HB ALA 50 HB1 ALA 50 2.568 5.346 -6.646 400 3HB ALA 50 HB3 ALA 50 2.308 6.979 -7.258 401 H PHE 51 HN PHE 51 -0.622 5.345 -6.179 402 HA PHE 51 HA PHE 51 -0.309 2.553 -5.773 403 1HB PHE 51 HB2 PHE 51 -1.207 3.004 -3.812 404 2HB PHE 51 HB1 PHE 51 -1.171 4.676 -4.254 405 HD1 PHE 51 HD1 PHE 51 -3.557 4.355 -6.331 406 HD2 PHE 51 HD2 PHE 51 -2.988 3.216 -2.256 407 HE1 PHE 51 HE1 PHE 51 -5.998 4.344 -5.994 408 HE2 PHE 51 HE2 PHE 51 -5.430 3.234 -1.910 409 HZ PHE 51 HZ PHE 51 -6.941 3.782 -3.786 410 H THR 52 HN THR 52 -2.085 4.152 -8.123 411 HA THR 52 HA THR 52 -4.392 2.335 -8.153 412 HB THR 52 HB THR 52 -3.428 4.585 -9.891 413 HG1 THR 52 HG1 THR 52 -5.655 5.118 -9.642 414 1HG2 THR 52 HG22 THR 52 -5.162 2.297 -10.819 415 2HG2 THR 52 HG21 THR 52 -5.346 3.913 -11.498 416 3HG2 THR 52 HG23 THR 52 -3.811 3.060 -11.656 417 H GLU 53 HN GLU 53 -1.361 2.793 -9.945 418 HA GLU 53 HA GLU 53 -1.817 0.364 -11.531 419 1HB GLU 53 HB2 GLU 53 0.910 1.550 -11.112 420 2HB GLU 53 HB1 GLU 53 0.209 0.860 -12.576 421 1HG GLU 53 HG2 GLU 53 -1.450 3.028 -11.964 422 2HG GLU 53 HG1 GLU 53 0.182 3.618 -11.650 423 H CYS 54 HN CYS 54 -0.160 1.283 -8.578 424 HA CYS 54 HA CYS 54 1.194 -1.246 -8.179 425 1HB CYS 54 HB2 CYS 54 2.116 0.587 -7.062 426 2HB CYS 54 HB1 CYS 54 0.557 1.156 -6.468 427 H CYS 55 HN CYS 55 -1.925 0.072 -7.166 428 HA CYS 55 HA CYS 55 -2.534 -2.212 -5.456 429 1HB CYS 55 HB2 CYS 55 -3.579 -0.009 -5.013 430 2HB CYS 55 HB1 CYS 55 -4.395 -0.068 -6.570 431 H VAL 56 HN VAL 56 -3.805 -1.019 -8.574 432 HA VAL 56 HA VAL 56 -5.439 -3.177 -9.245 433 HB VAL 56 HB VAL 56 -5.011 -2.620 -11.607 434 1HG1 VAL 56 HG12 VAL 56 -5.578 -0.613 -9.524 435 2HG1 VAL 56 HG11 VAL 56 -5.094 0.071 -11.076 436 3HG1 VAL 56 HG13 VAL 56 -6.485 -1.008 -10.984 437 1HG2 VAL 56 HG23 VAL 56 -2.639 -1.210 -10.396 438 2HG2 VAL 56 HG22 VAL 56 -2.688 -2.297 -11.783 439 3HG2 VAL 56 HG21 VAL 56 -3.322 -0.658 -11.926 440 H VAL 57 HN VAL 57 -1.902 -2.859 -9.909 441 HA VAL 57 HA VAL 57 -1.643 -5.479 -11.015 442 HB VAL 57 HB VAL 57 0.245 -4.025 -11.241 443 1HG1 VAL 57 HG13 VAL 57 -0.446 -3.032 -8.796 444 2HG1 VAL 57 HG12 VAL 57 0.985 -3.973 -8.381 445 3HG1 VAL 57 HG11 VAL 57 1.088 -2.698 -9.595 446 1HG2 VAL 57 HG22 VAL 57 0.752 -6.448 -10.870 447 2HG2 VAL 57 HG21 VAL 57 2.059 -5.393 -10.332 448 3HG2 VAL 57 HG23 VAL 57 0.962 -6.109 -9.152 449 H ALA 58 HN ALA 58 -0.989 -4.396 -7.653 450 HA ALA 58 HA ALA 58 -0.390 -6.659 -6.298 451 1HB ALA 58 HB1 ALA 58 -1.364 -4.249 -5.525 452 2HB ALA 58 HB3 ALA 58 -2.730 -5.287 -5.116 453 3HB ALA 58 HB2 ALA 58 -1.141 -5.605 -4.420 454 H SER 59 HN SER 59 -3.789 -5.800 -6.913 455 HA SER 59 HA SER 59 -4.920 -8.292 -6.150 456 1HB SER 59 HB2 SER 59 -6.161 -6.961 -8.478 457 2HB SER 59 HB1 SER 59 -6.872 -7.398 -6.928 458 HG SER 59 HG SER 59 -6.730 -5.156 -7.092 459 H GLN 60 HN GLN 60 -4.330 -7.095 -9.422 460 HA GLN 60 HA GLN 60 -4.879 -9.209 -11.001 461 1HB GLN 60 HB2 GLN 60 -2.791 -7.122 -11.097 462 2HB GLN 60 HB1 GLN 60 -2.494 -8.525 -12.125 463 1HG GLN 60 HG2 GLN 60 -4.615 -8.256 -13.238 464 2HG GLN 60 HG1 GLN 60 -5.119 -7.015 -12.089 465 1HE2 GLN 60 HE22 GLN 60 -3.835 -5.289 -15.150 466 2HE2 GLN 60 HE21 GLN 60 -5.096 -6.379 -14.834 467 H LEU 61 HN LEU 61 -1.429 -8.913 -9.981 468 HA LEU 61 HA LEU 61 -0.972 -11.661 -10.551 469 1HB LEU 61 HB2 LEU 61 1.197 -11.439 -9.596 470 2HB LEU 61 HB1 LEU 61 0.828 -9.970 -10.473 471 HG LEU 61 HG LEU 61 1.888 -9.301 -8.484 472 1HD1 LEU 61 HD12 LEU 61 -1.067 -8.923 -8.244 473 2HD1 LEU 61 HD11 LEU 61 0.070 -8.193 -7.128 474 3HD1 LEU 61 HD13 LEU 61 0.145 -7.799 -8.839 475 1HD2 LEU 61 HD22 LEU 61 0.651 -11.622 -7.365 476 2HD2 LEU 61 HD21 LEU 61 1.965 -10.648 -6.709 477 3HD2 LEU 61 HD23 LEU 61 0.292 -10.228 -6.348 478 H ARG 62 HN ARG 62 -1.356 -10.252 -7.235 479 HA ARG 62 HA ARG 62 -1.119 -12.562 -5.781 480 1HB ARG 62 HB2 ARG 62 -2.864 -10.169 -5.524 481 2HB ARG 62 HB1 ARG 62 -3.332 -11.572 -4.562 482 1HG ARG 62 HG2 ARG 62 -0.592 -11.475 -4.204 483 2HG ARG 62 HG1 ARG 62 -1.045 -9.772 -4.240 484 1HD ARG 62 HD2 ARG 62 -2.923 -11.349 -2.679 485 2HD ARG 62 HD1 ARG 62 -1.284 -11.502 -2.054 486 HE ARG 62 HE ARG 62 -2.961 -9.257 -1.673 487 1HH1 ARG 62 HH21 ARG 62 0.253 -9.953 -2.766 488 2HH1 ARG 62 HH22 ARG 62 0.804 -8.330 -2.546 489 1HH2 ARG 62 HH12 ARG 62 -2.232 -7.159 -1.366 490 2HH2 ARG 62 HH11 ARG 62 -0.590 -6.757 -1.748 491 H ALA 63 HN ALA 63 -3.777 -11.785 -7.958 492 HA ALA 63 HA ALA 63 -5.569 -13.858 -7.129 493 1HB ALA 63 HB3 ALA 63 -5.146 -12.504 -9.809 494 2HB ALA 63 HB2 ALA 63 -6.438 -13.669 -9.512 495 3HB ALA 63 HB1 ALA 63 -6.396 -12.150 -8.615 496 H ASN 64 HN ASN 64 -3.168 -13.779 -9.772 497 HA ASN 64 HA ASN 64 -2.725 -16.688 -9.363 498 1HB ASN 64 HB2 ASN 64 -3.896 -15.405 -11.771 499 2HB ASN 64 HB1 ASN 64 -2.616 -16.580 -12.077 500 1HD2 ASN 64 HD22 ASN 64 -5.991 -18.301 -11.764 501 2HD2 ASN 64 HD21 ASN 64 -5.479 -16.971 -12.686 502 H ILE 65 HN ILE 65 -0.961 -14.948 -8.433 503 HA ILE 65 HA ILE 65 0.918 -13.703 -10.072 504 HB ILE 65 HB ILE 65 2.171 -15.298 -7.910 505 1HG1 ILE 65 HG12 ILE 65 -0.067 -13.332 -7.372 506 2HG1 ILE 65 HG11 ILE 65 0.010 -15.015 -6.846 507 1HG2 ILE 65 HG21 ILE 65 2.437 -12.772 -9.251 508 2HG2 ILE 65 HG23 ILE 65 2.286 -12.487 -7.520 509 3HG2 ILE 65 HG22 ILE 65 3.557 -13.542 -8.129 510 1HD1 ILE 65 HD13 ILE 65 2.359 -14.004 -5.843 511 2HD1 ILE 65 HD12 ILE 65 1.273 -12.625 -5.679 512 3HD1 ILE 65 HD11 ILE 65 0.863 -14.163 -4.922 513 H SER 66 HN SER 66 1.399 -14.727 -12.006 514 HA SER 66 HA SER 66 3.228 -17.029 -11.816 515 1HB SER 66 HB2 SER 66 1.103 -18.181 -11.990 516 2HB SER 66 HB1 SER 66 0.598 -17.143 -13.321 517 HG SER 66 HG SER 66 2.020 -18.126 -14.637 518 H HIS 67 HN HIS 67 1.398 -14.916 -14.052 519 HA HIS 67 HA HIS 67 3.364 -15.151 -16.164 520 1HB HIS 67 HB2 HIS 67 0.836 -13.773 -15.730 521 2HB HIS 67 HB1 HIS 67 2.002 -12.742 -16.561 522 HD1 HIS 67 HD1 HIS 67 2.255 -13.138 -19.015 523 HD2 HIS 67 HD2 HIS 67 0.591 -16.439 -17.087 524 HE1 HIS 67 HE1 HIS 67 1.665 -14.804 -20.829 525 H LYS 68 HN LYS 68 2.468 -11.980 -14.919 526 HA LYS 68 HA LYS 68 5.166 -11.499 -13.851 527 1HB LYS 68 HB2 LYS 68 4.934 -11.105 -16.509 528 2HB LYS 68 HB1 LYS 68 4.348 -9.542 -15.939 529 1HG LYS 68 HG2 LYS 68 6.576 -9.028 -15.908 530 2HG LYS 68 HG1 LYS 68 6.520 -9.840 -14.342 531 1HD LYS 68 HD2 LYS 68 7.535 -11.757 -15.140 532 2HD LYS 68 HD1 LYS 68 6.923 -11.524 -16.778 533 1HE LYS 68 HE2 LYS 68 9.106 -10.907 -17.150 534 2HE LYS 68 HE1 LYS 68 8.485 -9.346 -16.614 535 1HZ LYS 68 HZ2 LYS 68 9.694 -11.365 -14.807 536 2HZ LYS 68 HZ1 LYS 68 10.545 -10.053 -15.471 537 3HZ LYS 68 HZ3 LYS 68 9.250 -9.773 -14.412 538 H ASP 69 HN ASP 69 4.944 -8.630 -14.019 539 HA ASP 69 HA ASP 69 2.482 -8.162 -12.384 540 1HB ASP 69 HB2 ASP 69 3.737 -6.765 -10.882 541 2HB ASP 69 HB1 ASP 69 4.640 -8.272 -11.045 542 H MET 70 HN MET 70 1.923 -5.766 -12.314 543 HA MET 70 HA MET 70 2.353 -4.621 -15.030 544 1HB MET 70 HB2 MET 70 0.032 -4.994 -13.639 545 2HB MET 70 HB1 MET 70 0.416 -3.328 -13.207 546 1HG MET 70 HG2 MET 70 -0.408 -2.690 -15.203 547 2HG MET 70 HG1 MET 70 0.941 -3.531 -15.968 548 1HE MET 70 HE3 MET 70 -2.627 -3.085 -15.646 549 2HE MET 70 HE2 MET 70 -1.976 -3.066 -17.283 550 3HE MET 70 HE1 MET 70 -3.208 -4.248 -16.845 551 H CYS 71 HN CYS 71 1.755 -3.141 -11.827 552 HA CYS 71 HA CYS 71 4.062 -1.325 -12.389 553 1HB CYS 71 HB2 CYS 71 1.287 -0.757 -11.716 554 2HB CYS 71 HB1 CYS 71 2.392 -0.020 -10.552 555 1H CYS 72 HN3 CYS 72 3.807 4.430 -11.947 556 2H CYS 72 HN2 CYS 72 2.385 3.520 -12.134 557 3H CYS 72 HN1 CYS 72 2.319 5.077 -11.457 558 HA CYS 72 HA CYS 72 2.125 3.564 -9.663 559 1HB CYS 72 HB2 CYS 72 4.502 2.160 -9.563 560 2HB CYS 72 HB1 CYS 72 2.926 1.505 -9.961 561 H LEU 73 HN LEU 73 5.608 3.543 -10.135 562 HA LEU 73 HA LEU 73 6.307 4.720 -7.737 563 1HB LEU 73 HB2 LEU 73 8.450 5.289 -8.745 564 2HB LEU 73 HB1 LEU 73 7.910 3.737 -9.385 565 HG LEU 73 HG LEU 73 6.817 5.817 -11.022 566 1HD1 LEU 73 HD11 LEU 73 8.918 6.967 -9.945 567 2HD1 LEU 73 HD13 LEU 73 9.823 5.918 -11.037 568 3HD1 LEU 73 HD12 LEU 73 8.669 7.082 -11.687 569 1HD2 LEU 73 HD21 LEU 73 7.583 3.319 -11.419 570 2HD2 LEU 73 HD23 LEU 73 7.669 4.487 -12.738 571 3HD2 LEU 73 HD22 LEU 73 9.124 4.072 -11.831 572 H GLY 74 HN GLY 74 7.324 6.985 -7.460 573 1HA GLY 74 HA2 GLY 74 5.667 9.018 -8.901 574 2HA GLY 74 HA1 GLY 74 5.934 9.110 -7.159 575 1HN DAR 75 HN ARG 75 6.732 11.031 -9.293 576 HA DAR 75 HA ARG 75 9.508 10.902 -9.857 577 1HB DAR 75 HB1 ARG 75 10.497 12.244 -8.111 578 2HB DAR 75 HB2 ARG 75 9.638 10.917 -7.330 579 1HG DAR 75 HG1 ARG 75 7.709 12.919 -7.614 580 2HG DAR 75 HG2 ARG 75 9.169 13.788 -7.141 581 1HD DAR 75 HD1 ARG 75 9.142 11.492 -5.525 582 2HD DAR 75 HD2 ARG 75 7.471 12.046 -5.555 583 HNE DAR 75 HE ARG 75 8.139 13.700 -4.069 584 1HH1 DAR 75 HH11 ARG 75 9.359 15.474 -3.446 585 2HH1 DAR 75 HH12 ARG 75 10.898 15.761 -4.187 586 1HH2 DAR 75 HH21 ARG 75 10.745 12.980 -6.239 587 2HH2 DAR 75 HH22 ARG 75 11.671 14.360 -5.768 No H/Q in entry = 587 Start of MODEL 8 1 1H MET 1 HN2 MET 1 16.894 -9.007 5.899 2 2H MET 1 HN1 MET 1 16.609 -10.649 6.225 3 3H MET 1 HN3 MET 1 18.166 -10.128 5.799 4 HA MET 1 HA MET 1 17.469 -9.589 3.589 5 1HB MET 1 HB2 MET 1 16.589 -12.307 4.593 6 2HB MET 1 HB1 MET 1 16.658 -11.892 2.880 7 1HG MET 1 HG2 MET 1 19.027 -11.468 3.000 8 2HG MET 1 HG1 MET 1 19.016 -11.607 4.759 9 1HE MET 1 HE1 MET 1 19.892 -12.829 1.756 10 2HE MET 1 HE3 MET 1 21.066 -13.620 2.816 11 3HE MET 1 HE2 MET 1 20.014 -14.585 1.785 12 H LEU 2 HN LEU 2 15.442 -10.597 2.098 13 HA LEU 2 HA LEU 2 12.862 -9.910 3.349 14 1HB LEU 2 HB2 LEU 2 14.063 -8.317 1.067 15 2HB LEU 2 HB1 LEU 2 12.362 -8.242 1.528 16 HG LEU 2 HG LEU 2 14.645 -7.681 3.438 17 1HD1 LEU 2 HD12 LEU 2 13.886 -6.096 1.295 18 2HD1 LEU 2 HD11 LEU 2 12.938 -5.438 2.630 19 3HD1 LEU 2 HD13 LEU 2 14.697 -5.523 2.753 20 1HD2 LEU 2 HD23 LEU 2 11.884 -8.196 3.809 21 2HD2 LEU 2 HD22 LEU 2 13.031 -7.604 5.011 22 3HD2 LEU 2 HD21 LEU 2 12.099 -6.462 4.044 23 H GLN 3 HN GLN 3 11.116 -10.834 2.217 24 HA GLN 3 HA GLN 3 11.733 -12.191 -0.359 25 1HB GLN 3 HB2 GLN 3 10.645 -14.261 0.450 26 2HB GLN 3 HB1 GLN 3 12.069 -13.871 1.417 27 1HG GLN 3 HG2 GLN 3 10.829 -13.320 3.275 28 2HG GLN 3 HG1 GLN 3 9.460 -12.744 2.321 29 1HE2 GLN 3 HE22 GLN 3 8.919 -16.224 3.927 30 2HE2 GLN 3 HE21 GLN 3 9.702 -14.864 4.575 31 H LYS 4 HN LYS 4 10.037 -9.862 0.707 32 HA LYS 4 HA LYS 4 7.280 -10.725 0.296 33 1HB LYS 4 HB2 LYS 4 6.850 -8.221 0.291 34 2HB LYS 4 HB1 LYS 4 7.630 -8.838 1.747 35 1HG LYS 4 HG2 LYS 4 9.669 -8.215 -0.163 36 2HG LYS 4 HG1 LYS 4 8.588 -6.827 -0.033 37 1HD LYS 4 HD2 LYS 4 8.892 -7.635 2.603 38 2HD LYS 4 HD1 LYS 4 10.498 -7.883 1.919 39 1HE LYS 4 HE2 LYS 4 10.863 -5.655 1.651 40 2HE LYS 4 HE1 LYS 4 9.211 -5.356 1.110 41 1HZ LYS 4 HZ3 LYS 4 9.172 -6.119 3.813 42 2HZ LYS 4 HZ2 LYS 4 10.304 -4.866 3.624 43 3HZ LYS 4 HZ1 LYS 4 8.695 -4.645 3.125 44 H LYS 5 HN LYS 5 6.031 -9.188 -1.410 45 HA LYS 5 HA LYS 5 7.574 -9.340 -3.969 46 1HB LYS 5 HB2 LYS 5 4.659 -10.008 -3.461 47 2HB LYS 5 HB1 LYS 5 5.378 -9.879 -5.067 48 1HG LYS 5 HG2 LYS 5 6.180 -11.974 -4.911 49 2HG LYS 5 HG1 LYS 5 7.042 -11.556 -3.430 50 1HD LYS 5 HD2 LYS 5 5.627 -13.138 -2.548 51 2HD LYS 5 HD1 LYS 5 4.556 -11.743 -2.423 52 1HE LYS 5 HE2 LYS 5 4.167 -12.618 -5.031 53 2HE LYS 5 HE1 LYS 5 4.319 -14.117 -4.114 54 1HZ LYS 5 HZ3 LYS 5 2.499 -11.868 -3.446 55 2HZ LYS 5 HZ2 LYS 5 2.032 -13.330 -4.174 56 3HZ LYS 5 HZ1 LYS 5 2.636 -13.324 -2.586 57 H ILE 6 HN ILE 6 4.281 -8.193 -3.877 58 HA ILE 6 HA ILE 6 4.961 -5.683 -5.045 59 HB ILE 6 HB ILE 6 2.502 -6.874 -3.819 60 1HG1 ILE 6 HG12 ILE 6 3.290 -7.107 -6.251 61 2HG1 ILE 6 HG11 ILE 6 1.623 -6.581 -6.014 62 1HG2 ILE 6 HG22 ILE 6 2.949 -3.926 -4.309 63 2HG2 ILE 6 HG21 ILE 6 1.340 -4.643 -4.406 64 3HG2 ILE 6 HG23 ILE 6 2.245 -4.707 -2.893 65 1HD1 ILE 6 HD11 ILE 6 3.801 -4.522 -6.244 66 2HD1 ILE 6 HD13 ILE 6 3.165 -5.281 -7.705 67 3HD1 ILE 6 HD12 ILE 6 2.087 -4.379 -6.638 68 H GLU 7 HN GLU 7 5.043 -6.776 -1.774 69 HA GLU 7 HA GLU 7 4.591 -4.424 -0.303 70 1HB GLU 7 HB2 GLU 7 5.455 -6.926 0.333 71 2HB GLU 7 HB1 GLU 7 6.947 -6.008 0.539 72 1HG GLU 7 HG2 GLU 7 5.038 -4.377 1.716 73 2HG GLU 7 HG1 GLU 7 4.523 -6.000 2.178 74 H GLU 8 HN GLU 8 7.872 -5.564 -1.224 75 HA GLU 8 HA GLU 8 9.029 -2.957 -0.804 76 1HB GLU 8 HB2 GLU 8 11.033 -3.877 -1.837 77 2HB GLU 8 HB1 GLU 8 10.324 -5.131 -0.820 78 1HG GLU 8 HG2 GLU 8 9.102 -5.933 -2.930 79 2HG GLU 8 HG1 GLU 8 10.202 -4.887 -3.829 80 H ILE 9 HN ILE 9 7.476 -4.516 -3.557 81 HA ILE 9 HA ILE 9 8.361 -2.848 -5.660 82 HB ILE 9 HB ILE 9 5.591 -3.949 -5.074 83 1HG1 ILE 9 HG12 ILE 9 7.837 -4.778 -6.940 84 2HG1 ILE 9 HG11 ILE 9 7.267 -5.659 -5.523 85 1HG2 ILE 9 HG23 ILE 9 5.536 -1.896 -6.522 86 2HG2 ILE 9 HG22 ILE 9 6.600 -2.725 -7.657 87 3HG2 ILE 9 HG21 ILE 9 4.981 -3.352 -7.347 88 1HD1 ILE 9 HD11 ILE 9 5.154 -5.017 -7.477 89 2HD1 ILE 9 HD13 ILE 9 6.394 -6.115 -8.082 90 3HD1 ILE 9 HD12 ILE 9 5.483 -6.527 -6.631 91 H ALA 10 HN ALA 10 6.207 -2.331 -2.976 92 HA ALA 10 HA ALA 10 5.475 0.403 -3.763 93 1HB ALA 10 HB2 ALA 10 4.000 -1.144 -2.357 94 2HB ALA 10 HB1 ALA 10 5.163 -0.926 -1.050 95 3HB ALA 10 HB3 ALA 10 4.265 0.459 -1.669 96 H ALA 11 HN ALA 11 7.692 -1.307 -1.626 97 HA ALA 11 HA ALA 11 8.730 0.786 -0.097 98 1HB ALA 11 HB1 ALA 11 10.192 -1.560 -1.310 99 2HB ALA 11 HB3 ALA 11 10.866 -0.505 -0.068 100 3HB ALA 11 HB2 ALA 11 9.448 -1.490 0.287 101 H LYS 12 HN LYS 12 9.107 0.144 -3.494 102 HA LYS 12 HA LYS 12 11.356 2.057 -3.734 103 1HB LYS 12 HB2 LYS 12 10.066 0.037 -5.523 104 2HB LYS 12 HB1 LYS 12 10.933 1.382 -6.264 105 1HG LYS 12 HG2 LYS 12 12.942 0.522 -5.697 106 2HG LYS 12 HG1 LYS 12 12.418 0.209 -4.040 107 1HD LYS 12 HD2 LYS 12 12.893 -1.933 -4.998 108 2HD LYS 12 HD1 LYS 12 11.135 -1.793 -4.960 109 1HE LYS 12 HE2 LYS 12 11.399 -2.476 -7.148 110 2HE LYS 12 HE1 LYS 12 11.540 -0.733 -7.377 111 1HZ LYS 12 HZ2 LYS 12 13.822 -2.589 -6.963 112 2HZ LYS 12 HZ1 LYS 12 13.333 -1.965 -8.466 113 3HZ LYS 12 HZ3 LYS 12 13.925 -0.921 -7.267 114 H TYR 13 HN TYR 13 7.896 1.955 -4.241 115 HA TYR 13 HA TYR 13 7.613 3.985 -6.185 116 1HB TYR 13 HB2 TYR 13 5.884 3.150 -3.848 117 2HB TYR 13 HB1 TYR 13 5.424 4.518 -4.847 118 HD1 TYR 13 HD1 TYR 13 7.175 1.432 -5.852 119 HD2 TYR 13 HD2 TYR 13 3.518 3.690 -6.138 120 HE1 TYR 13 HE1 TYR 13 6.341 -0.146 -7.556 121 HE2 TYR 13 HE2 TYR 13 2.716 2.127 -7.849 122 HH TYR 13 HH TYR 13 3.041 0.041 -8.743 123 H LYS 14 HN LYS 14 9.070 5.619 -5.997 124 HA LYS 14 HA LYS 14 10.479 7.093 -4.577 125 1HB LYS 14 HB2 LYS 14 8.372 8.005 -6.237 126 2HB LYS 14 HB1 LYS 14 8.419 9.065 -4.828 127 1HG LYS 14 HG2 LYS 14 9.935 9.921 -6.545 128 2HG LYS 14 HG1 LYS 14 10.868 9.352 -5.161 129 1HD LYS 14 HD2 LYS 14 10.393 7.194 -7.042 130 2HD LYS 14 HD1 LYS 14 11.189 8.555 -7.833 131 1HE LYS 14 HE2 LYS 14 12.384 8.169 -5.253 132 2HE LYS 14 HE1 LYS 14 12.359 6.624 -6.103 133 1HZ LYS 14 HZ2 LYS 14 13.184 9.031 -7.561 134 2HZ LYS 14 HZ1 LYS 14 14.285 8.316 -6.484 135 3HZ LYS 14 HZ3 LYS 14 13.664 7.417 -7.782 136 H HIS 15 HN HIS 15 10.846 7.266 -2.458 137 HA HIS 15 HA HIS 15 8.926 6.927 -0.400 138 1HB HIS 15 HB2 HIS 15 10.667 7.876 1.100 139 2HB HIS 15 HB1 HIS 15 11.318 6.653 0.010 140 HD1 HIS 15 HD1 HIS 15 13.074 8.948 1.253 141 HD2 HIS 15 HD2 HIS 15 11.381 9.044 -2.555 142 HE1 HIS 15 HE1 HIS 15 14.458 10.572 -0.106 143 H SER 16 HN SER 16 9.677 9.731 -2.306 144 HA SER 16 HA SER 16 9.092 11.898 -0.701 145 1HB SER 16 HB2 SER 16 7.568 11.877 -3.238 146 2HB SER 16 HB1 SER 16 8.735 13.051 -2.638 147 HG SER 16 HG SER 16 10.374 11.505 -3.144 148 H VAL 17 HN VAL 17 6.701 9.740 -2.204 149 HA VAL 17 HA VAL 17 4.885 9.916 0.011 150 HB VAL 17 HB VAL 17 4.684 12.228 -1.145 151 1HG1 VAL 17 HG11 VAL 17 4.667 11.361 -3.461 152 2HG1 VAL 17 HG13 VAL 17 3.160 10.508 -3.125 153 3HG1 VAL 17 HG12 VAL 17 3.198 12.271 -3.106 154 1HG2 VAL 17 HG21 VAL 17 2.658 10.373 -0.138 155 2HG2 VAL 17 HG23 VAL 17 2.888 12.084 0.223 156 3HG2 VAL 17 HG22 VAL 17 1.977 11.599 -1.208 157 H VAL 18 HN VAL 18 5.083 9.541 -3.510 158 HA VAL 18 HA VAL 18 3.003 7.769 -4.013 159 HB VAL 18 HB VAL 18 4.334 8.512 -5.842 160 1HG1 VAL 18 HG12 VAL 18 6.424 8.424 -4.105 161 2HG1 VAL 18 HG11 VAL 18 6.773 7.014 -5.095 162 3HG1 VAL 18 HG13 VAL 18 6.616 8.597 -5.846 163 1HG2 VAL 18 HG21 VAL 18 3.896 5.752 -5.392 164 2HG2 VAL 18 HG23 VAL 18 4.113 6.559 -6.943 165 3HG2 VAL 18 HG22 VAL 18 5.505 5.888 -6.096 166 H LYS 19 HN LYS 19 5.890 7.178 -2.140 167 HA LYS 19 HA LYS 19 5.846 4.302 -2.305 168 1HB LYS 19 HB2 LYS 19 7.845 4.880 -1.363 169 2HB LYS 19 HB1 LYS 19 7.196 6.371 -0.691 170 1HG LYS 19 HG2 LYS 19 6.764 5.389 1.334 171 2HG LYS 19 HG1 LYS 19 6.208 3.887 0.598 172 1HD LYS 19 HD2 LYS 19 8.217 2.911 0.840 173 2HD LYS 19 HD1 LYS 19 9.055 4.303 0.155 174 1HE LYS 19 HE2 LYS 19 8.960 5.460 2.307 175 2HE LYS 19 HE1 LYS 19 8.028 4.133 3.003 176 1HZ LYS 19 HZ2 LYS 19 9.989 2.691 2.293 177 2HZ LYS 19 HZ1 LYS 19 10.852 4.148 2.140 178 3HZ LYS 19 HZ3 LYS 19 10.204 3.701 3.642 179 H LYS 20 HN LYS 20 5.034 6.214 0.610 180 HA LYS 20 HA LYS 20 3.493 4.262 1.881 181 1HB LYS 20 HB2 LYS 20 2.858 7.228 1.907 182 2HB LYS 20 HB1 LYS 20 2.475 6.051 3.164 183 1HG LYS 20 HG2 LYS 20 5.095 5.630 3.099 184 2HG LYS 20 HG1 LYS 20 5.114 7.271 2.450 185 1HD LYS 20 HD2 LYS 20 3.404 7.620 4.518 186 2HD LYS 20 HD1 LYS 20 4.400 6.320 5.171 187 1HE LYS 20 HE2 LYS 20 5.810 8.588 3.841 188 2HE LYS 20 HE1 LYS 20 5.103 8.890 5.428 189 1HZ LYS 20 HZ3 LYS 20 6.893 6.603 4.822 190 2HZ LYS 20 HZ2 LYS 20 7.426 8.071 5.490 191 3HZ LYS 20 HZ1 LYS 20 6.336 7.090 6.348 192 H CYS 21 HN CYS 21 2.713 6.084 -0.942 193 HA CYS 21 HA CYS 21 -0.183 5.802 -0.829 194 1HB CYS 21 HB2 CYS 21 1.662 6.094 -3.200 195 2HB CYS 21 HB1 CYS 21 -0.086 6.279 -3.161 196 H CYS 22 HN CYS 22 2.125 4.282 -3.107 197 HA CYS 22 HA CYS 22 0.508 2.272 -4.040 198 1HB CYS 22 HB2 CYS 22 2.481 2.366 -5.105 199 2HB CYS 22 HB1 CYS 22 3.443 2.483 -3.640 200 H TYR 23 HN TYR 23 2.309 2.425 -1.001 201 HA TYR 23 HA TYR 23 1.772 -0.240 -0.118 202 1HB TYR 23 HB2 TYR 23 2.433 2.350 1.239 203 2HB TYR 23 HB1 TYR 23 1.812 1.023 2.223 204 HD1 TYR 23 HD2 TYR 23 4.532 2.121 0.011 205 HD2 TYR 23 HD1 TYR 23 3.098 -1.024 2.543 206 HE1 TYR 23 HE2 TYR 23 6.777 1.070 -0.039 207 HE2 TYR 23 HE1 TYR 23 5.339 -2.090 2.485 208 HH TYR 23 HH TYR 23 7.544 -1.704 1.983 209 H ASP 24 HN ASP 24 0.092 2.848 0.372 210 HA ASP 24 HA ASP 24 -2.166 2.042 1.794 211 1HB ASP 24 HB2 ASP 24 -1.660 4.166 -0.297 212 2HB ASP 24 HB1 ASP 24 -3.335 3.807 0.158 213 H GLY 25 HN GLY 25 -1.476 1.704 -1.632 214 1HA GLY 25 HA2 GLY 25 -4.001 0.750 -2.515 215 2HA GLY 25 HA1 GLY 25 -2.448 0.426 -3.288 216 H ALA 26 HN ALA 26 -1.023 -1.170 -1.895 217 HA ALA 26 HA ALA 26 -2.611 -3.632 -1.719 218 1HB ALA 26 HB2 ALA 26 0.311 -2.961 -1.596 219 2HB ALA 26 HB1 ALA 26 -0.244 -4.547 -1.061 220 3HB ALA 26 HB3 ALA 26 -0.543 -4.021 -2.717 221 H SER 27 HN SER 27 -2.329 -1.261 0.495 222 HA SER 27 HA SER 27 -1.883 -3.098 2.788 223 1HB SER 27 HB2 SER 27 -1.595 -0.212 2.380 224 2HB SER 27 HB1 SER 27 -2.249 -0.676 3.938 225 HG SER 27 HG SER 27 -0.086 -0.768 4.203 226 H VAL 28 HN VAL 28 -4.123 -0.532 1.792 227 HA VAL 28 HA VAL 28 -6.118 -0.989 3.725 228 HB VAL 28 HB VAL 28 -7.610 0.147 2.167 229 1HG1 VAL 28 HG13 VAL 28 -5.073 1.089 3.007 230 2HG1 VAL 28 HG12 VAL 28 -5.317 1.685 1.366 231 3HG1 VAL 28 HG11 VAL 28 -6.501 2.051 2.621 232 1HG2 VAL 28 HG23 VAL 28 -5.632 -0.918 0.219 233 2HG2 VAL 28 HG22 VAL 28 -7.370 -0.685 0.036 234 3HG2 VAL 28 HG21 VAL 28 -6.275 0.687 -0.124 235 H ASN 29 HN ASN 29 -8.291 -2.020 3.323 236 HA ASN 29 HA ASN 29 -8.227 -4.744 2.901 237 1HB ASN 29 HB2 ASN 29 -10.252 -2.852 3.234 238 2HB ASN 29 HB1 ASN 29 -10.646 -3.628 1.703 239 1HD2 ASN 29 HD22 ASN 29 -10.773 -5.827 5.164 240 2HD2 ASN 29 HD21 ASN 29 -9.986 -4.322 5.153 241 H ASN 30 HN ASN 30 -9.121 -6.028 1.016 242 HA ASN 30 HA ASN 30 -7.578 -5.879 -1.265 243 1HB ASN 30 HB2 ASN 30 -10.075 -7.170 -0.532 244 2HB ASN 30 HB1 ASN 30 -10.075 -6.715 -2.235 245 1HD2 ASN 30 HD22 ASN 30 -8.081 -9.495 -3.028 246 2HD2 ASN 30 HD21 ASN 30 -9.373 -8.478 -3.446 247 H ASP 31 HN ASP 31 -10.346 -3.882 -0.470 248 HA ASP 31 HA ASP 31 -9.734 -2.217 -2.838 249 1HB ASP 31 HB2 ASP 31 -12.123 -2.124 -3.502 250 2HB ASP 31 HB1 ASP 31 -11.463 -3.752 -3.653 251 H GLU 32 HN GLU 32 -9.961 -2.224 0.341 252 HA GLU 32 HA GLU 32 -11.879 -0.365 1.171 253 1HB GLU 32 HB2 GLU 32 -10.594 -1.145 2.934 254 2HB GLU 32 HB1 GLU 32 -9.082 -0.960 2.053 255 1HG GLU 32 HG2 GLU 32 -8.996 1.365 2.463 256 2HG GLU 32 HG1 GLU 32 -10.714 1.445 2.857 257 H THR 33 HN THR 33 -8.533 0.707 0.698 258 HA THR 33 HA THR 33 -9.533 3.288 -0.340 259 HB THR 33 HB THR 33 -6.719 2.428 0.371 260 HG1 THR 33 HG1 THR 33 -8.802 3.686 1.774 261 1HG2 THR 33 HG22 THR 33 -7.957 5.047 -0.457 262 2HG2 THR 33 HG21 THR 33 -6.431 4.974 0.424 263 3HG2 THR 33 HG23 THR 33 -6.568 4.222 -1.166 264 H CYS 34 HN CYS 34 -7.875 0.397 -1.401 265 HA CYS 34 HA CYS 34 -6.501 1.101 -3.704 266 1HB CYS 34 HB2 CYS 34 -7.218 -1.248 -2.790 267 2HB CYS 34 HB1 CYS 34 -8.611 -1.051 -3.854 268 H GLU 35 HN GLU 35 -10.004 0.998 -3.243 269 HA GLU 35 HA GLU 35 -10.472 2.014 -5.989 270 1HB GLU 35 HB2 GLU 35 -11.878 0.169 -4.984 271 2HB GLU 35 HB1 GLU 35 -12.521 1.363 -3.856 272 1HG GLU 35 HG2 GLU 35 -13.430 2.684 -5.662 273 2HG GLU 35 HG1 GLU 35 -12.623 1.680 -6.867 274 H GLN 36 HN GLN 36 -11.605 2.940 -2.699 275 HA GLN 36 HA GLN 36 -12.711 5.408 -3.258 276 1HB GLN 36 HB2 GLN 36 -10.956 4.588 -0.935 277 2HB GLN 36 HB1 GLN 36 -11.763 6.155 -0.998 278 1HG GLN 36 HG2 GLN 36 -13.900 4.714 -1.527 279 2HG GLN 36 HG1 GLN 36 -12.970 3.413 -0.782 280 1HE2 GLN 36 HE22 GLN 36 -14.075 4.539 2.367 281 2HE2 GLN 36 HE21 GLN 36 -13.929 3.245 1.280 282 H ARG 37 HN ARG 37 -9.364 4.534 -3.426 283 HA ARG 37 HA ARG 37 -8.568 7.344 -3.907 284 1HB ARG 37 HB2 ARG 37 -7.234 4.941 -2.882 285 2HB ARG 37 HB1 ARG 37 -6.280 5.798 -4.092 286 1HG ARG 37 HG2 ARG 37 -5.925 6.556 -1.694 287 2HG ARG 37 HG1 ARG 37 -6.353 7.832 -2.830 288 1HD ARG 37 HD2 ARG 37 -8.286 8.274 -1.745 289 2HD ARG 37 HD1 ARG 37 -8.713 6.565 -1.672 290 HE ARG 37 HE ARG 37 -6.717 6.838 0.235 291 1HH1 ARG 37 HH21 ARG 37 -9.736 8.362 -0.475 292 2HH1 ARG 37 HH22 ARG 37 -10.075 8.748 1.179 293 1HH2 ARG 37 HH12 ARG 37 -7.151 7.338 2.393 294 2HH2 ARG 37 HH11 ARG 37 -8.614 8.170 2.800 295 H ALA 38 HN ALA 38 -8.345 4.089 -5.424 296 HA ALA 38 HA ALA 38 -7.127 4.983 -7.845 297 1HB ALA 38 HB1 ALA 38 -8.999 2.660 -7.312 298 2HB ALA 38 HB3 ALA 38 -8.158 2.907 -8.842 299 3HB ALA 38 HB2 ALA 38 -7.236 2.615 -7.367 300 H ALA 39 HN ALA 39 -10.583 4.207 -7.318 301 HA ALA 39 HA ALA 39 -11.315 5.703 -9.732 302 1HB ALA 39 HB2 ALA 39 -12.975 4.294 -7.622 303 2HB ALA 39 HB1 ALA 39 -13.652 5.069 -9.054 304 3HB ALA 39 HB3 ALA 39 -12.570 3.687 -9.227 305 H ARG 40 HN ARG 40 -12.969 5.919 -6.596 306 HA ARG 40 HA ARG 40 -13.868 8.522 -6.766 307 1HB ARG 40 HB2 ARG 40 -12.795 7.041 -4.354 308 2HB ARG 40 HB1 ARG 40 -13.587 8.612 -4.232 309 1HG ARG 40 HG2 ARG 40 -14.934 6.383 -5.730 310 2HG ARG 40 HG1 ARG 40 -15.014 6.422 -3.968 311 1HD ARG 40 HD2 ARG 40 -16.375 8.255 -3.938 312 2HD ARG 40 HD1 ARG 40 -15.576 8.995 -5.327 313 HE ARG 40 HE ARG 40 -16.921 6.837 -6.418 314 1HH1 ARG 40 HH21 ARG 40 -17.733 9.513 -4.392 315 2HH1 ARG 40 HH22 ARG 40 -19.358 9.630 -4.980 316 1HH2 ARG 40 HH12 ARG 40 -19.036 6.981 -7.191 317 2HH2 ARG 40 HH11 ARG 40 -20.095 8.198 -6.561 318 H ILE 41 HN ILE 41 -12.441 9.950 -7.807 319 HA ILE 41 HA ILE 41 -10.089 10.784 -6.163 320 HB ILE 41 HB ILE 41 -10.211 10.095 -9.089 321 1HG1 ILE 41 HG12 ILE 41 -7.947 9.783 -7.110 322 2HG1 ILE 41 HG11 ILE 41 -9.267 8.612 -7.214 323 1HG2 ILE 41 HG21 ILE 41 -8.905 12.453 -7.948 324 2HG2 ILE 41 HG23 ILE 41 -7.767 11.374 -8.753 325 3HG2 ILE 41 HG22 ILE 41 -9.151 12.017 -9.637 326 1HD1 ILE 41 HD13 ILE 41 -7.596 9.467 -9.590 327 2HD1 ILE 41 HD12 ILE 41 -7.266 8.023 -8.634 328 3HD1 ILE 41 HD11 ILE 41 -8.774 8.158 -9.536 329 H SER 42 HN SER 42 -11.596 12.484 -5.409 330 HA SER 42 HA SER 42 -12.866 14.324 -7.201 331 1HB SER 42 HB2 SER 42 -12.167 14.275 -4.313 332 2HB SER 42 HB1 SER 42 -12.387 15.871 -5.024 333 HG SER 42 HG SER 42 -14.283 14.477 -4.169 334 H LEU 43 HN LEU 43 -9.593 13.799 -6.381 335 HA LEU 43 HA LEU 43 -8.781 16.122 -8.007 336 1HB LEU 43 HB2 LEU 43 -8.798 17.032 -5.743 337 2HB LEU 43 HB1 LEU 43 -7.870 15.657 -5.151 338 HG LEU 43 HG LEU 43 -6.593 17.841 -5.644 339 1HD1 LEU 43 HD12 LEU 43 -5.905 15.114 -5.861 340 2HD1 LEU 43 HD11 LEU 43 -5.119 15.924 -7.216 341 3HD1 LEU 43 HD13 LEU 43 -4.816 16.470 -5.567 342 1HD2 LEU 43 HD23 LEU 43 -7.825 17.923 -7.969 343 2HD2 LEU 43 HD22 LEU 43 -6.142 18.437 -7.858 344 3HD2 LEU 43 HD21 LEU 43 -6.535 16.833 -8.473 345 H GLY 44 HN GLY 44 -7.818 13.239 -6.154 346 1HA GLY 44 HA2 GLY 44 -6.357 11.502 -6.798 347 2HA GLY 44 HA1 GLY 44 -6.164 12.291 -8.364 348 HA PRO 45 HA PRO 45 -3.334 14.742 -5.016 349 1HB PRO 45 HB2 PRO 45 -2.748 12.454 -3.313 350 2HB PRO 45 HB1 PRO 45 -3.302 14.068 -2.855 351 1HG PRO 45 HG2 PRO 45 -4.816 11.652 -2.908 352 2HG PRO 45 HG1 PRO 45 -5.379 13.276 -2.501 353 1HD PRO 45 HD2 PRO 45 -6.111 11.762 -4.766 354 2HD PRO 45 HD1 PRO 45 -6.455 13.475 -4.478 355 H ARG 46 HN ARG 46 -2.659 11.237 -4.944 356 HA ARG 46 HA ARG 46 -0.934 11.170 -7.195 357 1HB ARG 46 HB2 ARG 46 0.339 12.753 -5.589 358 2HB ARG 46 HB1 ARG 46 0.659 11.305 -4.634 359 1HG ARG 46 HG2 ARG 46 2.523 11.411 -6.064 360 2HG ARG 46 HG1 ARG 46 1.457 10.273 -6.888 361 1HD ARG 46 HD2 ARG 46 0.733 11.917 -8.448 362 2HD ARG 46 HD1 ARG 46 1.401 13.235 -7.484 363 HE ARG 46 HE ARG 46 3.613 11.689 -8.102 364 1HH1 ARG 46 HH21 ARG 46 1.033 13.168 -9.861 365 2HH1 ARG 46 HH22 ARG 46 1.983 13.430 -11.284 366 1HH2 ARG 46 HH12 ARG 46 4.860 12.027 -9.953 367 2HH2 ARG 46 HH11 ARG 46 4.146 12.786 -11.337 368 H CYS 47 HN CYS 47 -1.681 9.951 -3.961 369 HA CYS 47 HA CYS 47 -0.430 7.414 -4.304 370 1HB CYS 47 HB2 CYS 47 -2.894 7.935 -2.615 371 2HB CYS 47 HB1 CYS 47 -1.759 6.621 -2.420 372 H ILE 48 HN ILE 48 -3.466 8.694 -5.481 373 HA ILE 48 HA ILE 48 -4.580 6.106 -6.012 374 HB ILE 48 HB ILE 48 -6.223 7.243 -7.335 375 1HG1 ILE 48 HG12 ILE 48 -5.861 9.786 -7.755 376 2HG1 ILE 48 HG11 ILE 48 -4.153 9.424 -7.546 377 1HG2 ILE 48 HG22 ILE 48 -6.045 7.714 -4.804 378 2HG2 ILE 48 HG21 ILE 48 -5.476 9.313 -5.284 379 3HG2 ILE 48 HG23 ILE 48 -7.084 8.769 -5.763 380 1HD1 ILE 48 HD11 ILE 48 -5.192 7.421 -9.262 381 2HD1 ILE 48 HD13 ILE 48 -5.828 8.959 -9.846 382 3HD1 ILE 48 HD12 ILE 48 -4.087 8.728 -9.689 383 H LYS 49 HN LYS 49 -2.727 8.393 -8.095 384 HA LYS 49 HA LYS 49 -2.719 6.637 -10.370 385 1HB LYS 49 HB2 LYS 49 -1.228 9.053 -9.509 386 2HB LYS 49 HB1 LYS 49 -0.400 8.019 -10.675 387 1HG LYS 49 HG2 LYS 49 -2.744 8.035 -11.891 388 2HG LYS 49 HG1 LYS 49 -2.977 9.524 -10.975 389 1HD LYS 49 HD2 LYS 49 -0.333 9.497 -12.131 390 2HD LYS 49 HD1 LYS 49 -1.537 9.210 -13.387 391 1HE LYS 49 HE2 LYS 49 -1.930 11.406 -11.363 392 2HE LYS 49 HE1 LYS 49 -0.939 11.673 -12.797 393 1HZ LYS 49 HZ2 LYS 49 -3.671 10.554 -12.975 394 2HZ LYS 49 HZ1 LYS 49 -3.391 12.231 -12.967 395 3HZ LYS 49 HZ3 LYS 49 -2.739 11.269 -14.203 396 H ALA 50 HN ALA 50 -0.041 7.335 -8.091 397 HA ALA 50 HA ALA 50 1.711 5.266 -8.861 398 1HB ALA 50 HB1 ALA 50 1.129 6.222 -6.041 399 2HB ALA 50 HB3 ALA 50 2.546 5.299 -6.535 400 3HB ALA 50 HB2 ALA 50 2.309 6.940 -7.138 401 H PHE 51 HN PHE 51 -0.467 5.210 -6.114 402 HA PHE 51 HA PHE 51 -0.170 2.435 -5.769 403 1HB PHE 51 HB2 PHE 51 -1.121 2.869 -3.841 404 2HB PHE 51 HB1 PHE 51 -1.130 4.540 -4.287 405 HD1 PHE 51 HD1 PHE 51 -3.443 4.173 -6.404 406 HD2 PHE 51 HD2 PHE 51 -2.926 2.979 -2.342 407 HE1 PHE 51 HE1 PHE 51 -5.888 4.095 -6.110 408 HE2 PHE 51 HE2 PHE 51 -5.372 2.935 -2.039 409 HZ PHE 51 HZ PHE 51 -6.858 3.482 -3.940 410 H THR 52 HN THR 52 -1.946 4.075 -8.134 411 HA THR 52 HA THR 52 -4.179 2.203 -8.313 412 HB THR 52 HB THR 52 -3.157 4.467 -9.980 413 HG1 THR 52 HG1 THR 52 -5.583 3.530 -8.918 414 1HG2 THR 52 HG21 THR 52 -4.898 2.261 -11.124 415 2HG2 THR 52 HG23 THR 52 -4.595 3.819 -11.894 416 3HG2 THR 52 HG22 THR 52 -3.271 2.677 -11.662 417 H GLU 53 HN GLU 53 -1.247 2.772 -10.298 418 HA GLU 53 HA GLU 53 -1.527 0.237 -11.685 419 1HB GLU 53 HB2 GLU 53 1.137 1.570 -11.241 420 2HB GLU 53 HB1 GLU 53 0.548 0.725 -12.673 421 1HG GLU 53 HG2 GLU 53 -1.280 2.726 -12.517 422 2HG GLU 53 HG1 GLU 53 0.131 3.537 -11.836 423 H CYS 54 HN CYS 54 -0.083 1.234 -8.666 424 HA CYS 54 HA CYS 54 1.351 -1.257 -8.235 425 1HB CYS 54 HB2 CYS 54 2.236 0.516 -7.037 426 2HB CYS 54 HB1 CYS 54 0.656 1.166 -6.602 427 H CYS 55 HN CYS 55 -1.266 0.026 -6.185 428 HA CYS 55 HA CYS 55 -2.177 -2.279 -5.027 429 1HB CYS 55 HB2 CYS 55 -3.174 0.087 -4.844 430 2HB CYS 55 HB1 CYS 55 -4.175 -0.338 -6.221 431 H VAL 56 HN VAL 56 -3.114 -1.205 -8.323 432 HA VAL 56 HA VAL 56 -4.831 -3.432 -8.813 433 HB VAL 56 HB VAL 56 -4.680 -2.879 -11.178 434 1HG1 VAL 56 HG11 VAL 56 -5.000 -0.782 -9.105 435 2HG1 VAL 56 HG13 VAL 56 -4.848 -0.210 -10.766 436 3HG1 VAL 56 HG12 VAL 56 -6.136 -1.335 -10.335 437 1HG2 VAL 56 HG23 VAL 56 -2.224 -1.403 -10.277 438 2HG2 VAL 56 HG22 VAL 56 -2.418 -2.492 -11.648 439 3HG2 VAL 56 HG21 VAL 56 -3.098 -0.865 -11.710 440 H VAL 57 HN VAL 57 -1.380 -2.992 -9.902 441 HA VAL 57 HA VAL 57 -1.106 -5.552 -11.017 442 HB VAL 57 HB VAL 57 0.766 -3.994 -11.103 443 1HG1 VAL 57 HG11 VAL 57 0.680 -4.285 -8.107 444 2HG1 VAL 57 HG13 VAL 57 2.173 -3.836 -8.922 445 3HG1 VAL 57 HG12 VAL 57 0.749 -2.814 -9.071 446 1HG2 VAL 57 HG22 VAL 57 1.111 -6.543 -11.064 447 2HG2 VAL 57 HG21 VAL 57 2.529 -5.547 -10.738 448 3HG2 VAL 57 HG23 VAL 57 1.673 -6.324 -9.407 449 H ALA 58 HN ALA 58 -1.027 -4.641 -7.590 450 HA ALA 58 HA ALA 58 -0.285 -7.153 -6.510 451 1HB ALA 58 HB1 ALA 58 -0.730 -4.806 -5.371 452 2HB ALA 58 HB3 ALA 58 -2.346 -5.470 -5.133 453 3HB ALA 58 HB2 ALA 58 -0.943 -6.296 -4.453 454 H SER 59 HN SER 59 -3.542 -5.825 -7.115 455 HA SER 59 HA SER 59 -4.913 -8.263 -6.405 456 1HB SER 59 HB2 SER 59 -6.270 -6.671 -8.441 457 2HB SER 59 HB1 SER 59 -6.770 -7.030 -6.789 458 HG SER 59 HG SER 59 -6.199 -5.065 -6.343 459 H GLN 60 HN GLN 60 -4.698 -6.787 -9.620 460 HA GLN 60 HA GLN 60 -5.478 -8.709 -11.306 461 1HB GLN 60 HB2 GLN 60 -3.075 -6.917 -11.481 462 2HB GLN 60 HB1 GLN 60 -3.403 -8.070 -12.775 463 1HG GLN 60 HG2 GLN 60 -5.460 -6.107 -11.735 464 2HG GLN 60 HG1 GLN 60 -4.426 -5.784 -13.126 465 1HE2 GLN 60 HE22 GLN 60 -5.973 -8.656 -14.931 466 2HE2 GLN 60 HE21 GLN 60 -4.399 -8.228 -14.458 467 H LEU 61 HN LEU 61 -2.037 -8.762 -10.150 468 HA LEU 61 HA LEU 61 -1.705 -11.437 -11.224 469 1HB LEU 61 HB2 LEU 61 -0.043 -10.541 -8.919 470 2HB LEU 61 HB1 LEU 61 0.407 -11.490 -10.321 471 HG LEU 61 HG LEU 61 0.443 -8.606 -9.908 472 1HD1 LEU 61 HD13 LEU 61 2.344 -10.299 -10.342 473 2HD1 LEU 61 HD12 LEU 61 1.848 -10.190 -12.031 474 3HD1 LEU 61 HD11 LEU 61 2.403 -8.748 -11.180 475 1HD2 LEU 61 HD22 LEU 61 -0.957 -9.790 -12.242 476 2HD2 LEU 61 HD21 LEU 61 -1.059 -8.153 -11.594 477 3HD2 LEU 61 HD23 LEU 61 0.285 -8.606 -12.640 478 H ARG 62 HN ARG 62 -2.024 -10.236 -7.885 479 HA ARG 62 HA ARG 62 -2.031 -12.463 -6.369 480 1HB ARG 62 HB2 ARG 62 -3.893 -10.129 -6.376 481 2HB ARG 62 HB1 ARG 62 -4.330 -11.502 -5.358 482 1HG ARG 62 HG2 ARG 62 -1.493 -10.791 -5.158 483 2HG ARG 62 HG1 ARG 62 -2.569 -9.485 -4.656 484 1HD ARG 62 HD2 ARG 62 -3.697 -11.789 -3.550 485 2HD ARG 62 HD1 ARG 62 -1.965 -11.995 -3.306 486 HE ARG 62 HE ARG 62 -3.623 -10.278 -1.789 487 1HH1 ARG 62 HH21 ARG 62 -0.646 -10.137 -3.557 488 2HH1 ARG 62 HH22 ARG 62 -0.125 -8.679 -2.789 489 1HH2 ARG 62 HH12 ARG 62 -2.927 -8.398 -0.780 490 2HH2 ARG 62 HH11 ARG 62 -1.402 -7.703 -1.218 491 H ALA 63 HN ALA 63 -4.625 -11.702 -8.668 492 HA ALA 63 HA ALA 63 -6.294 -13.947 -8.038 493 1HB ALA 63 HB1 ALA 63 -6.316 -11.870 -9.935 494 2HB ALA 63 HB3 ALA 63 -6.222 -13.350 -10.889 495 3HB ALA 63 HB2 ALA 63 -7.542 -13.123 -9.742 496 H ASN 64 HN ASN 64 -3.934 -13.536 -10.700 497 HA ASN 64 HA ASN 64 -3.196 -16.411 -10.352 498 1HB ASN 64 HB2 ASN 64 -4.778 -15.703 -12.397 499 2HB ASN 64 HB1 ASN 64 -3.222 -15.287 -13.116 500 1HD2 ASN 64 HD22 ASN 64 -4.159 -19.000 -13.541 501 2HD2 ASN 64 HD21 ASN 64 -5.134 -17.618 -13.680 502 H ILE 65 HN ILE 65 -1.542 -14.718 -9.157 503 HA ILE 65 HA ILE 65 0.355 -13.286 -10.718 504 HB ILE 65 HB ILE 65 1.631 -14.670 -8.465 505 1HG1 ILE 65 HG12 ILE 65 -0.957 -13.171 -8.036 506 2HG1 ILE 65 HG11 ILE 65 -0.568 -14.804 -7.500 507 1HG2 ILE 65 HG22 ILE 65 1.911 -12.276 -9.775 508 2HG2 ILE 65 HG21 ILE 65 1.040 -11.776 -8.327 509 3HG2 ILE 65 HG23 ILE 65 2.580 -12.611 -8.182 510 1HD1 ILE 65 HD12 ILE 65 1.462 -13.134 -6.460 511 2HD1 ILE 65 HD11 ILE 65 -0.062 -12.296 -6.163 512 3HD1 ILE 65 HD13 ILE 65 0.175 -13.937 -5.561 513 H SER 66 HN SER 66 1.328 -14.181 -12.470 514 HA SER 66 HA SER 66 3.291 -16.247 -12.170 515 1HB SER 66 HB2 SER 66 1.812 -18.000 -12.166 516 2HB SER 66 HB1 SER 66 0.541 -17.062 -12.945 517 HG SER 66 HG SER 66 1.294 -17.615 -14.853 518 H HIS 67 HN HIS 67 0.934 -15.273 -14.694 519 HA HIS 67 HA HIS 67 2.565 -15.385 -16.927 520 1HB HIS 67 HB2 HIS 67 0.251 -13.731 -16.130 521 2HB HIS 67 HB1 HIS 67 1.243 -13.038 -17.413 522 HD1 HIS 67 HD1 HIS 67 -0.266 -13.549 -19.399 523 HD2 HIS 67 HD2 HIS 67 0.548 -16.927 -17.094 524 HE1 HIS 67 HE1 HIS 67 -1.146 -15.535 -20.702 525 H LYS 68 HN LYS 68 1.985 -12.061 -15.987 526 HA LYS 68 HA LYS 68 4.934 -11.668 -15.699 527 1HB LYS 68 HB2 LYS 68 3.413 -10.831 -17.883 528 2HB LYS 68 HB1 LYS 68 3.551 -9.385 -16.881 529 1HG LYS 68 HG2 LYS 68 5.548 -9.170 -17.983 530 2HG LYS 68 HG1 LYS 68 6.096 -10.283 -16.728 531 1HD LYS 68 HD2 LYS 68 5.868 -12.175 -18.167 532 2HD LYS 68 HD1 LYS 68 4.964 -11.244 -19.362 533 1HE LYS 68 HE2 LYS 68 7.709 -10.305 -18.637 534 2HE LYS 68 HE1 LYS 68 7.564 -11.723 -19.676 535 1HZ LYS 68 HZ2 LYS 68 6.111 -10.427 -21.137 536 2HZ LYS 68 HZ1 LYS 68 6.345 -9.059 -20.159 537 3HZ LYS 68 HZ3 LYS 68 7.654 -9.731 -21.001 538 H ASP 69 HN ASP 69 4.651 -8.813 -15.340 539 HA ASP 69 HA ASP 69 2.864 -8.559 -12.987 540 1HB ASP 69 HB2 ASP 69 5.797 -7.828 -12.815 541 2HB ASP 69 HB1 ASP 69 4.615 -7.858 -11.506 542 H MET 70 HN MET 70 2.085 -6.474 -12.767 543 HA MET 70 HA MET 70 2.896 -4.551 -14.872 544 1HB MET 70 HB2 MET 70 0.432 -5.249 -13.945 545 2HB MET 70 HB1 MET 70 0.752 -3.820 -12.962 546 1HG MET 70 HG2 MET 70 0.483 -2.436 -14.725 547 2HG MET 70 HG1 MET 70 1.528 -3.423 -15.747 548 1HE MET 70 HE3 MET 70 -0.938 -1.692 -15.994 549 2HE MET 70 HE2 MET 70 -2.073 -2.447 -17.111 550 3HE MET 70 HE1 MET 70 -2.422 -2.435 -15.384 551 H CYS 71 HN CYS 71 1.862 -2.319 -13.095 552 HA CYS 71 HA CYS 71 4.343 -1.335 -12.160 553 1HB CYS 71 HB2 CYS 71 1.484 -0.621 -11.772 554 2HB CYS 71 HB1 CYS 71 2.610 0.017 -10.569 555 1H CYS 72 HN3 CYS 72 4.049 4.329 -11.997 556 2H CYS 72 HN2 CYS 72 2.569 3.524 -12.213 557 3H CYS 72 HN1 CYS 72 2.595 5.110 -11.605 558 HA CYS 72 HA CYS 72 2.189 3.579 -9.803 559 1HB CYS 72 HB2 CYS 72 4.633 2.313 -9.461 560 2HB CYS 72 HB1 CYS 72 3.119 1.549 -9.910 561 H LEU 73 HN LEU 73 5.477 4.610 -10.726 562 HA LEU 73 HA LEU 73 6.270 5.328 -8.097 563 1HB LEU 73 HB2 LEU 73 7.217 6.342 -10.791 564 2HB LEU 73 HB1 LEU 73 7.998 6.762 -9.271 565 HG LEU 73 HG LEU 73 9.243 4.917 -10.066 566 1HD1 LEU 73 HD12 LEU 73 8.453 4.699 -7.694 567 2HD1 LEU 73 HD11 LEU 73 7.138 3.679 -8.273 568 3HD1 LEU 73 HD13 LEU 73 8.811 3.153 -8.463 569 1HD2 LEU 73 HD21 LEU 73 7.162 4.368 -11.668 570 2HD2 LEU 73 HD23 LEU 73 8.415 3.176 -11.325 571 3HD2 LEU 73 HD22 LEU 73 6.887 3.128 -10.445 572 H GLY 74 HN GLY 74 7.112 7.979 -8.173 573 1HA GLY 74 HA2 GLY 74 4.765 9.651 -8.818 574 2HA GLY 74 HA1 GLY 74 5.190 9.533 -7.111 575 1HN DAR 75 HN ARG 75 7.841 9.305 -9.278 576 HA DAR 75 HA ARG 75 9.719 10.720 -9.453 577 1HB DAR 75 HB1 ARG 75 8.728 11.382 -7.009 578 2HB DAR 75 HB2 ARG 75 8.520 12.913 -7.859 579 1HG DAR 75 HG1 ARG 75 10.803 13.188 -8.194 580 2HG DAR 75 HG2 ARG 75 11.124 11.454 -8.140 581 1HD DAR 75 HD1 ARG 75 11.717 11.684 -5.979 582 2HD DAR 75 HD2 ARG 75 10.051 12.130 -5.620 583 HNE DAR 75 HE ARG 75 10.870 14.254 -5.160 584 1HH1 DAR 75 HH11 ARG 75 11.903 16.171 -5.699 585 2HH1 DAR 75 HH12 ARG 75 13.061 16.189 -6.987 586 1HH2 DAR 75 HH21 ARG 75 12.755 12.814 -7.688 587 2HH2 DAR 75 HH22 ARG 75 13.531 14.299 -8.112 No H/Q in entry = 587 Start of MODEL 9 1 1H MET 1 HN2 MET 1 4.964 -12.911 8.023 2 2H MET 1 HN1 MET 1 3.783 -13.188 9.213 3 3H MET 1 HN3 MET 1 5.393 -13.647 9.493 4 HA MET 1 HA MET 1 5.301 -15.404 7.976 5 1HB MET 1 HB2 MET 1 4.048 -15.747 10.130 6 2HB MET 1 HB1 MET 1 2.567 -15.295 9.284 7 1HG MET 1 HG2 MET 1 2.631 -17.196 7.899 8 2HG MET 1 HG1 MET 1 4.345 -17.475 8.206 9 1HE MET 1 HE2 MET 1 5.214 -18.928 9.433 10 2HE MET 1 HE1 MET 1 4.555 -19.936 10.718 11 3HE MET 1 HE3 MET 1 4.045 -20.186 9.042 12 H LEU 2 HN LEU 2 5.177 -14.060 5.912 13 HA LEU 2 HA LEU 2 2.891 -14.955 4.351 14 1HB LEU 2 HB2 LEU 2 2.247 -12.610 3.641 15 2HB LEU 2 HB1 LEU 2 1.811 -13.017 5.302 16 HG LEU 2 HG LEU 2 4.384 -12.032 5.566 17 1HD1 LEU 2 HD11 LEU 2 3.899 -11.302 3.063 18 2HD1 LEU 2 HD13 LEU 2 2.991 -10.010 3.850 19 3HD1 LEU 2 HD12 LEU 2 4.713 -10.202 4.177 20 1HD2 LEU 2 HD22 LEU 2 2.390 -11.575 6.991 21 2HD2 LEU 2 HD21 LEU 2 3.278 -10.103 6.598 22 3HD2 LEU 2 HD23 LEU 2 1.780 -10.482 5.747 23 H GLN 3 HN GLN 3 3.183 -14.364 2.030 24 HA GLN 3 HA GLN 3 5.998 -14.470 1.300 25 1HB GLN 3 HB2 GLN 3 3.384 -14.575 -0.137 26 2HB GLN 3 HB1 GLN 3 4.806 -14.110 -1.070 27 1HG GLN 3 HG2 GLN 3 5.946 -16.174 -0.032 28 2HG GLN 3 HG1 GLN 3 4.324 -16.678 0.442 29 1HE2 GLN 3 HE22 GLN 3 3.875 -18.127 -2.733 30 2HE2 GLN 3 HE21 GLN 3 3.750 -18.288 -1.048 31 H LYS 4 HN LYS 4 7.117 -12.864 0.025 32 HA LYS 4 HA LYS 4 5.966 -10.119 0.336 33 1HB LYS 4 HB2 LYS 4 8.873 -10.987 0.284 34 2HB LYS 4 HB1 LYS 4 8.311 -9.321 0.415 35 1HG LYS 4 HG2 LYS 4 7.445 -9.641 2.568 36 2HG LYS 4 HG1 LYS 4 7.343 -11.392 2.370 37 1HD LYS 4 HD2 LYS 4 10.008 -11.053 2.050 38 2HD LYS 4 HD1 LYS 4 9.664 -9.708 3.139 39 1HE LYS 4 HE2 LYS 4 8.203 -11.895 4.153 40 2HE LYS 4 HE1 LYS 4 9.791 -12.537 3.733 41 1HZ LYS 4 HZ1 LYS 4 9.576 -9.988 5.187 42 2HZ LYS 4 HZ3 LYS 4 9.429 -11.451 6.031 43 3HZ LYS 4 HZ2 LYS 4 10.851 -11.110 5.169 44 H LYS 5 HN LYS 5 5.425 -9.207 -1.578 45 HA LYS 5 HA LYS 5 7.119 -9.795 -3.958 46 1HB LYS 5 HB2 LYS 5 4.090 -9.923 -3.837 47 2HB LYS 5 HB1 LYS 5 5.021 -9.923 -5.336 48 1HG LYS 5 HG2 LYS 5 6.232 -11.954 -4.542 49 2HG LYS 5 HG1 LYS 5 5.195 -11.979 -3.115 50 1HD LYS 5 HD2 LYS 5 4.141 -12.061 -5.954 51 2HD LYS 5 HD1 LYS 5 4.417 -13.499 -4.970 52 1HE LYS 5 HE2 LYS 5 2.857 -11.376 -3.635 53 2HE LYS 5 HE1 LYS 5 2.061 -12.112 -5.026 54 1HZ LYS 5 HZ2 LYS 5 2.999 -14.276 -3.831 55 2HZ LYS 5 HZ1 LYS 5 2.789 -13.287 -2.467 56 3HZ LYS 5 HZ3 LYS 5 1.470 -13.622 -3.479 57 H ILE 6 HN ILE 6 4.053 -8.039 -3.838 58 HA ILE 6 HA ILE 6 5.224 -5.711 -5.067 59 HB ILE 6 HB ILE 6 2.544 -6.410 -3.912 60 1HG1 ILE 6 HG12 ILE 6 3.383 -6.887 -6.301 61 2HG1 ILE 6 HG11 ILE 6 1.817 -6.096 -6.148 62 1HG2 ILE 6 HG21 ILE 6 3.523 -3.620 -4.552 63 2HG2 ILE 6 HG23 ILE 6 1.813 -4.052 -4.587 64 3HG2 ILE 6 HG22 ILE 6 2.725 -4.178 -3.082 65 1HD1 ILE 6 HD12 ILE 6 4.318 -4.444 -6.398 66 2HD1 ILE 6 HD11 ILE 6 3.557 -5.119 -7.837 67 3HD1 ILE 6 HD13 ILE 6 2.659 -4.007 -6.804 68 H GLU 7 HN GLU 7 5.356 -6.844 -1.905 69 HA GLU 7 HA GLU 7 5.040 -4.621 -0.245 70 1HB GLU 7 HB2 GLU 7 5.678 -6.858 0.585 71 2HB GLU 7 HB1 GLU 7 7.279 -6.668 -0.132 72 1HG GLU 7 HG2 GLU 7 7.882 -5.795 1.869 73 2HG GLU 7 HG1 GLU 7 7.010 -4.353 1.349 74 H GLU 8 HN GLU 8 8.279 -5.570 -1.457 75 HA GLU 8 HA GLU 8 9.317 -2.906 -1.055 76 1HB GLU 8 HB2 GLU 8 11.309 -3.719 -2.238 77 2HB GLU 8 HB1 GLU 8 10.756 -4.954 -1.106 78 1HG GLU 8 HG2 GLU 8 9.540 -6.076 -2.966 79 2HG GLU 8 HG1 GLU 8 10.191 -4.877 -4.084 80 H ILE 9 HN ILE 9 7.786 -4.551 -3.783 81 HA ILE 9 HA ILE 9 8.503 -2.803 -5.880 82 HB ILE 9 HB ILE 9 5.746 -3.954 -5.306 83 1HG1 ILE 9 HG12 ILE 9 8.120 -5.003 -6.882 84 2HG1 ILE 9 HG11 ILE 9 7.414 -5.720 -5.435 85 1HG2 ILE 9 HG22 ILE 9 7.010 -2.749 -7.781 86 2HG2 ILE 9 HG21 ILE 9 5.559 -3.748 -7.839 87 3HG2 ILE 9 HG23 ILE 9 5.543 -2.221 -6.957 88 1HD1 ILE 9 HD11 ILE 9 5.505 -5.277 -7.643 89 2HD1 ILE 9 HD13 ILE 9 6.764 -6.461 -7.985 90 3HD1 ILE 9 HD12 ILE 9 5.705 -6.679 -6.593 91 H ALA 10 HN ALA 10 6.547 -2.394 -3.062 92 HA ALA 10 HA ALA 10 5.595 0.290 -3.857 93 1HB ALA 10 HB1 ALA 10 4.214 -1.399 -2.478 94 2HB ALA 10 HB3 ALA 10 5.316 -1.041 -1.148 95 3HB ALA 10 HB2 ALA 10 4.315 0.240 -1.834 96 H ALA 11 HN ALA 11 7.899 -1.350 -1.762 97 HA ALA 11 HA ALA 11 8.800 0.785 -0.185 98 1HB ALA 11 HB2 ALA 11 10.446 -1.443 -1.390 99 2HB ALA 11 HB1 ALA 11 10.959 -0.408 -0.058 100 3HB ALA 11 HB3 ALA 11 9.593 -1.503 0.152 101 H LYS 12 HN LYS 12 9.183 0.227 -3.580 102 HA LYS 12 HA LYS 12 11.401 2.169 -3.806 103 1HB LYS 12 HB2 LYS 12 10.014 0.309 -5.723 104 2HB LYS 12 HB1 LYS 12 11.046 1.608 -6.321 105 1HG LYS 12 HG2 LYS 12 12.880 0.395 -5.858 106 2HG LYS 12 HG1 LYS 12 12.397 0.282 -4.166 107 1HD LYS 12 HD2 LYS 12 12.634 -1.961 -5.182 108 2HD LYS 12 HD1 LYS 12 10.968 -1.652 -4.689 109 1HE LYS 12 HE2 LYS 12 10.348 -2.149 -6.799 110 2HE LYS 12 HE1 LYS 12 11.135 -0.655 -7.304 111 1HZ LYS 12 HZ3 LYS 12 13.018 -2.751 -6.876 112 2HZ LYS 12 HZ2 LYS 12 11.850 -3.197 -8.026 113 3HZ LYS 12 HZ1 LYS 12 12.774 -1.789 -8.251 114 H TYR 13 HN TYR 13 7.929 2.076 -4.214 115 HA TYR 13 HA TYR 13 7.634 4.234 -6.044 116 1HB TYR 13 HB2 TYR 13 5.873 3.212 -3.791 117 2HB TYR 13 HB1 TYR 13 5.400 4.602 -4.752 118 HD1 TYR 13 HD1 TYR 13 7.280 1.628 -5.873 119 HD2 TYR 13 HD2 TYR 13 3.518 3.733 -6.081 120 HE1 TYR 13 HE1 TYR 13 6.530 0.104 -7.656 121 HE2 TYR 13 HE2 TYR 13 2.807 2.214 -7.873 122 HH TYR 13 HH TYR 13 3.239 0.182 -8.851 123 H LYS 14 HN LYS 14 9.100 5.837 -5.675 124 HA LYS 14 HA LYS 14 10.472 7.172 -4.100 125 1HB LYS 14 HB2 LYS 14 8.383 8.260 -5.701 126 2HB LYS 14 HB1 LYS 14 8.486 9.209 -4.219 127 1HG LYS 14 HG2 LYS 14 10.065 10.242 -5.625 128 2HG LYS 14 HG1 LYS 14 11.053 9.164 -4.637 129 1HD LYS 14 HD2 LYS 14 10.299 7.514 -6.708 130 2HD LYS 14 HD1 LYS 14 10.488 9.067 -7.523 131 1HE LYS 14 HE2 LYS 14 12.620 8.410 -5.583 132 2HE LYS 14 HE1 LYS 14 12.556 7.365 -7.002 133 1HZ LYS 14 HZ2 LYS 14 12.179 10.022 -7.815 134 2HZ LYS 14 HZ1 LYS 14 13.559 9.961 -6.826 135 3HZ LYS 14 HZ3 LYS 14 13.458 8.971 -8.200 136 H HIS 15 HN HIS 15 10.761 7.007 -1.965 137 HA HIS 15 HA HIS 15 8.817 6.540 0.007 138 1HB HIS 15 HB2 HIS 15 10.506 7.371 1.625 139 2HB HIS 15 HB1 HIS 15 11.218 6.283 0.434 140 HD1 HIS 15 HD1 HIS 15 12.793 8.580 1.976 141 HD2 HIS 15 HD2 HIS 15 11.329 8.828 -1.918 142 HE1 HIS 15 HE1 HIS 15 14.173 10.346 0.803 143 H SER 16 HN SER 16 9.617 9.517 -1.608 144 HA SER 16 HA SER 16 8.899 11.517 0.159 145 1HB SER 16 HB2 SER 16 8.777 11.167 -2.729 146 2HB SER 16 HB1 SER 16 7.477 12.203 -2.147 147 HG SER 16 HG SER 16 8.970 13.551 -1.241 148 H VAL 17 HN VAL 17 6.479 10.084 -2.025 149 HA VAL 17 HA VAL 17 4.565 9.889 0.225 150 HB VAL 17 HB VAL 17 2.859 10.999 -1.470 151 1HG1 VAL 17 HG11 VAL 17 4.554 11.998 0.671 152 2HG1 VAL 17 HG13 VAL 17 4.142 13.282 -0.465 153 3HG1 VAL 17 HG12 VAL 17 2.862 12.362 0.327 154 1HG2 VAL 17 HG21 VAL 17 5.566 12.069 -2.315 155 2HG2 VAL 17 HG23 VAL 17 4.344 11.312 -3.336 156 3HG2 VAL 17 HG22 VAL 17 4.053 12.910 -2.651 157 H VAL 18 HN VAL 18 5.025 9.545 -3.290 158 HA VAL 18 HA VAL 18 3.037 7.723 -3.946 159 HB VAL 18 HB VAL 18 4.660 8.584 -5.578 160 1HG1 VAL 18 HG11 VAL 18 6.500 7.052 -3.796 161 2HG1 VAL 18 HG13 VAL 18 6.910 7.183 -5.502 162 3HG1 VAL 18 HG12 VAL 18 6.726 8.640 -4.523 163 1HG2 VAL 18 HG22 VAL 18 3.877 5.809 -5.310 164 2HG2 VAL 18 HG21 VAL 18 4.027 6.776 -6.778 165 3HG2 VAL 18 HG23 VAL 18 5.430 5.926 -6.135 166 H LYS 19 HN LYS 19 5.799 7.187 -1.874 167 HA LYS 19 HA LYS 19 5.850 4.320 -2.060 168 1HB LYS 19 HB2 LYS 19 7.771 5.116 -1.037 169 2HB LYS 19 HB1 LYS 19 6.908 6.377 -0.166 170 1HG LYS 19 HG2 LYS 19 6.546 5.027 1.634 171 2HG LYS 19 HG1 LYS 19 6.144 3.638 0.625 172 1HD LYS 19 HD2 LYS 19 8.200 2.781 0.894 173 2HD LYS 19 HD1 LYS 19 8.940 4.277 0.323 174 1HE LYS 19 HE2 LYS 19 8.898 5.234 2.527 175 2HE LYS 19 HE1 LYS 19 7.887 3.924 3.138 176 1HZ LYS 19 HZ1 LYS 19 9.702 2.379 2.667 177 2HZ LYS 19 HZ3 LYS 19 10.675 3.667 2.147 178 3HZ LYS 19 HZ2 LYS 19 10.177 3.583 3.769 179 H LYS 20 HN LYS 20 4.885 6.040 0.910 180 HA LYS 20 HA LYS 20 3.298 4.032 1.988 181 1HB LYS 20 HB2 LYS 20 3.742 6.771 2.525 182 2HB LYS 20 HB1 LYS 20 1.992 6.568 2.444 183 1HG LYS 20 HG2 LYS 20 2.000 4.897 4.139 184 2HG LYS 20 HG1 LYS 20 3.748 4.691 4.031 185 1HD LYS 20 HD2 LYS 20 2.704 7.408 4.708 186 2HD LYS 20 HD1 LYS 20 2.649 6.168 5.960 187 1HE LYS 20 HE2 LYS 20 4.829 6.553 6.364 188 2HE LYS 20 HE1 LYS 20 5.191 5.937 4.751 189 1HZ LYS 20 HZ1 LYS 20 4.220 8.680 4.940 190 2HZ LYS 20 HZ3 LYS 20 5.796 8.387 5.495 191 3HZ LYS 20 HZ2 LYS 20 5.375 8.005 3.894 192 H CYS 21 HN CYS 21 2.569 6.032 -0.748 193 HA CYS 21 HA CYS 21 -0.318 5.688 -0.763 194 1HB CYS 21 HB2 CYS 21 1.573 6.074 -3.080 195 2HB CYS 21 HB1 CYS 21 -0.169 6.294 -3.042 196 H CYS 22 HN CYS 22 2.131 4.280 -2.955 197 HA CYS 22 HA CYS 22 0.525 2.314 -4.057 198 1HB CYS 22 HB2 CYS 22 2.456 2.453 -5.147 199 2HB CYS 22 HB1 CYS 22 3.429 2.686 -3.705 200 H TYR 23 HN TYR 23 2.335 2.307 -1.018 201 HA TYR 23 HA TYR 23 1.848 -0.410 -0.284 202 1HB TYR 23 HB2 TYR 23 2.408 2.120 1.241 203 2HB TYR 23 HB1 TYR 23 1.872 0.689 2.122 204 HD1 TYR 23 HD2 TYR 23 4.491 2.068 -0.072 205 HD2 TYR 23 HD1 TYR 23 3.306 -1.251 2.367 206 HE1 TYR 23 HE2 TYR 23 6.798 1.171 -0.184 207 HE2 TYR 23 HE1 TYR 23 5.612 -2.161 2.249 208 HH TYR 23 HH TYR 23 7.750 -1.680 1.684 209 H ASP 24 HN ASP 24 0.080 2.609 0.172 210 HA ASP 24 HA ASP 24 -2.154 1.662 1.623 211 1HB ASP 24 HB2 ASP 24 -1.740 3.959 -0.329 212 2HB ASP 24 HB1 ASP 24 -3.356 3.586 0.298 213 H GLY 25 HN GLY 25 -1.386 1.534 -1.795 214 1HA GLY 25 HA2 GLY 25 -3.946 0.724 -2.775 215 2HA GLY 25 HA1 GLY 25 -2.397 0.460 -3.579 216 H ALA 26 HN ALA 26 -0.988 -1.261 -2.272 217 HA ALA 26 HA ALA 26 -2.621 -3.708 -2.322 218 1HB ALA 26 HB2 ALA 26 -0.273 -3.474 -3.300 219 2HB ALA 26 HB1 ALA 26 0.315 -3.508 -1.637 220 3HB ALA 26 HB3 ALA 26 -0.554 -4.895 -2.294 221 H SER 27 HN SER 27 -2.210 -1.500 0.061 222 HA SER 27 HA SER 27 -1.849 -3.493 2.218 223 1HB SER 27 HB2 SER 27 -1.790 -0.515 2.161 224 2HB SER 27 HB1 SER 27 -1.839 -1.407 3.661 225 HG SER 27 HG SER 27 0.303 -0.988 3.062 226 H VAL 28 HN VAL 28 -3.978 -0.736 1.487 227 HA VAL 28 HA VAL 28 -5.943 -1.215 3.415 228 HB VAL 28 HB VAL 28 -7.456 0.001 1.921 229 1HG1 VAL 28 HG12 VAL 28 -4.707 0.821 2.508 230 2HG1 VAL 28 HG11 VAL 28 -5.423 1.716 1.169 231 3HG1 VAL 28 HG13 VAL 28 -6.214 1.705 2.745 232 1HG2 VAL 28 HG21 VAL 28 -5.600 -1.095 -0.087 233 2HG2 VAL 28 HG23 VAL 28 -7.286 -0.614 -0.268 234 3HG2 VAL 28 HG22 VAL 28 -6.009 0.601 -0.340 235 H ASN 29 HN ASN 29 -8.172 -2.141 3.035 236 HA ASN 29 HA ASN 29 -8.226 -4.855 2.589 237 1HB ASN 29 HB2 ASN 29 -10.166 -2.871 2.945 238 2HB ASN 29 HB1 ASN 29 -10.620 -3.656 1.436 239 1HD2 ASN 29 HD22 ASN 29 -11.271 -5.570 4.911 240 2HD2 ASN 29 HD21 ASN 29 -10.795 -3.942 4.835 241 H ASN 30 HN ASN 30 -9.239 -6.079 0.708 242 HA ASN 30 HA ASN 30 -7.730 -6.035 -1.592 243 1HB ASN 30 HB2 ASN 30 -10.483 -6.949 -0.964 244 2HB ASN 30 HB1 ASN 30 -10.107 -6.763 -2.678 245 1HD2 ASN 30 HD22 ASN 30 -8.991 -10.154 -1.199 246 2HD2 ASN 30 HD21 ASN 30 -10.410 -9.271 -0.901 247 H ASP 31 HN ASP 31 -10.326 -3.830 -0.762 248 HA ASP 31 HA ASP 31 -9.550 -2.143 -3.048 249 1HB ASP 31 HB2 ASP 31 -11.676 -3.866 -3.396 250 2HB ASP 31 HB1 ASP 31 -12.472 -2.382 -2.867 251 H GLU 32 HN GLU 32 -9.842 -2.203 0.082 252 HA GLU 32 HA GLU 32 -11.753 -0.346 0.933 253 1HB GLU 32 HB2 GLU 32 -10.515 -1.153 2.708 254 2HB GLU 32 HB1 GLU 32 -8.988 -1.023 1.843 255 1HG GLU 32 HG2 GLU 32 -8.774 1.262 2.320 256 2HG GLU 32 HG1 GLU 32 -10.505 1.465 2.588 257 H THR 33 HN THR 33 -8.382 0.702 0.488 258 HA THR 33 HA THR 33 -9.328 3.348 -0.392 259 HB THR 33 HB THR 33 -6.465 2.405 -0.209 260 HG1 THR 33 HG1 THR 33 -8.114 3.526 1.808 261 1HG2 THR 33 HG22 THR 33 -7.713 4.811 -0.995 262 2HG2 THR 33 HG21 THR 33 -6.997 5.114 0.589 263 3HG2 THR 33 HG23 THR 33 -5.991 4.527 -0.736 264 H CYS 34 HN CYS 34 -7.667 0.521 -1.712 265 HA CYS 34 HA CYS 34 -6.642 1.280 -4.143 266 1HB CYS 34 HB2 CYS 34 -7.257 -1.096 -3.165 267 2HB CYS 34 HB1 CYS 34 -8.699 -0.911 -4.162 268 H GLU 35 HN GLU 35 -10.079 1.086 -3.320 269 HA GLU 35 HA GLU 35 -10.858 2.060 -6.006 270 1HB GLU 35 HB2 GLU 35 -12.165 0.243 -4.972 271 2HB GLU 35 HB1 GLU 35 -12.563 1.302 -3.618 272 1HG GLU 35 HG2 GLU 35 -13.749 2.828 -5.089 273 2HG GLU 35 HG1 GLU 35 -13.240 1.914 -6.510 274 H GLN 36 HN GLN 36 -11.915 3.024 -2.712 275 HA GLN 36 HA GLN 36 -12.983 5.493 -3.286 276 1HB GLN 36 HB2 GLN 36 -12.741 4.445 -0.991 277 2HB GLN 36 HB1 GLN 36 -11.094 5.075 -0.958 278 1HG GLN 36 HG2 GLN 36 -12.412 6.721 0.147 279 2HG GLN 36 HG1 GLN 36 -12.123 7.366 -1.470 280 1HE2 GLN 36 HE22 GLN 36 -15.576 7.686 -2.026 281 2HE2 GLN 36 HE21 GLN 36 -14.014 8.311 -2.242 282 H ARG 37 HN ARG 37 -9.639 4.621 -3.483 283 HA ARG 37 HA ARG 37 -8.841 7.432 -3.906 284 1HB ARG 37 HB2 ARG 37 -7.532 5.031 -2.899 285 2HB ARG 37 HB1 ARG 37 -6.571 5.830 -4.143 286 1HG ARG 37 HG2 ARG 37 -6.223 6.591 -1.701 287 2HG ARG 37 HG1 ARG 37 -6.455 7.846 -2.913 288 1HD ARG 37 HD2 ARG 37 -8.468 8.481 -2.052 289 2HD ARG 37 HD1 ARG 37 -8.950 6.820 -1.706 290 HE ARG 37 HE ARG 37 -6.967 7.338 0.160 291 1HH1 ARG 37 HH21 ARG 37 -9.915 8.833 -0.844 292 2HH1 ARG 37 HH22 ARG 37 -10.258 9.499 0.717 293 1HH2 ARG 37 HH12 ARG 37 -7.406 8.202 2.198 294 2HH2 ARG 37 HH11 ARG 37 -8.840 9.143 2.437 295 H ALA 38 HN ALA 38 -8.616 4.233 -5.546 296 HA ALA 38 HA ALA 38 -7.505 5.437 -7.954 297 1HB ALA 38 HB3 ALA 38 -7.220 3.017 -7.275 298 2HB ALA 38 HB2 ALA 38 -8.908 2.764 -7.719 299 3HB ALA 38 HB1 ALA 38 -7.738 3.253 -8.944 300 H ALA 39 HN ALA 39 -10.702 4.021 -7.229 301 HA ALA 39 HA ALA 39 -11.920 4.850 -9.677 302 1HB ALA 39 HB2 ALA 39 -13.062 4.197 -6.952 303 2HB ALA 39 HB1 ALA 39 -14.081 4.598 -8.334 304 3HB ALA 39 HB3 ALA 39 -13.042 3.174 -8.390 305 H ARG 40 HN ARG 40 -12.490 6.241 -6.425 306 HA ARG 40 HA ARG 40 -13.530 8.702 -7.565 307 1HB ARG 40 HB2 ARG 40 -13.809 7.498 -5.145 308 2HB ARG 40 HB1 ARG 40 -12.590 8.713 -4.754 309 1HG ARG 40 HG2 ARG 40 -14.359 10.116 -4.515 310 2HG ARG 40 HG1 ARG 40 -14.355 10.164 -6.278 311 1HD ARG 40 HD2 ARG 40 -15.728 7.799 -5.385 312 2HD ARG 40 HD1 ARG 40 -16.419 9.208 -4.585 313 HE ARG 40 HE ARG 40 -16.900 8.479 -7.272 314 1HH1 ARG 40 HH21 ARG 40 -15.902 11.266 -5.468 315 2HH1 ARG 40 HH22 ARG 40 -16.265 12.368 -6.750 316 1HH2 ARG 40 HH12 ARG 40 -17.393 9.920 -8.919 317 2HH2 ARG 40 HH11 ARG 40 -17.116 11.614 -8.690 318 H ILE 41 HN ILE 41 -12.054 9.916 -8.703 319 HA ILE 41 HA ILE 41 -9.641 10.829 -7.210 320 HB ILE 41 HB ILE 41 -9.701 9.751 -10.042 321 1HG1 ILE 41 HG12 ILE 41 -7.941 9.024 -7.686 322 2HG1 ILE 41 HG11 ILE 41 -9.427 8.164 -8.086 323 1HG2 ILE 41 HG21 ILE 41 -8.190 11.920 -9.034 324 2HG2 ILE 41 HG23 ILE 41 -7.091 10.547 -9.127 325 3HG2 ILE 41 HG22 ILE 41 -7.963 11.075 -10.564 326 1HD1 ILE 41 HD12 ILE 41 -8.535 7.658 -10.332 327 2HD1 ILE 41 HD11 ILE 41 -7.043 8.508 -9.929 328 3HD1 ILE 41 HD13 ILE 41 -7.474 7.028 -9.073 329 H SER 42 HN SER 42 -11.448 12.598 -7.064 330 HA SER 42 HA SER 42 -12.410 14.144 -9.144 331 1HB SER 42 HB2 SER 42 -12.186 14.486 -6.412 332 2HB SER 42 HB1 SER 42 -11.205 15.806 -7.042 333 HG SER 42 HG SER 42 -13.785 15.760 -6.853 334 H LEU 43 HN LEU 43 -9.301 14.881 -7.517 335 HA LEU 43 HA LEU 43 -8.375 16.039 -10.116 336 1HB LEU 43 HB2 LEU 43 -6.648 17.144 -8.428 337 2HB LEU 43 HB1 LEU 43 -8.250 17.845 -8.658 338 HG LEU 43 HG LEU 43 -9.078 16.576 -6.700 339 1HD1 LEU 43 HD11 LEU 43 -6.387 15.376 -6.955 340 2HD1 LEU 43 HD13 LEU 43 -6.877 15.762 -5.305 341 3HD1 LEU 43 HD12 LEU 43 -7.869 14.687 -6.291 342 1HD2 LEU 43 HD21 LEU 43 -7.975 18.890 -6.542 343 2HD2 LEU 43 HD23 LEU 43 -8.068 17.965 -5.043 344 3HD2 LEU 43 HD22 LEU 43 -6.549 18.050 -5.936 345 H GLY 44 HN GLY 44 -7.901 13.575 -7.800 346 1HA GLY 44 HA2 GLY 44 -6.405 11.758 -7.861 347 2HA GLY 44 HA1 GLY 44 -5.725 12.427 -9.344 348 HA PRO 45 HA PRO 45 -3.740 14.671 -5.304 349 1HB PRO 45 HB2 PRO 45 -3.473 12.284 -3.685 350 2HB PRO 45 HB1 PRO 45 -4.198 13.836 -3.253 351 1HG PRO 45 HG2 PRO 45 -5.528 11.372 -3.824 352 2HG PRO 45 HG1 PRO 45 -6.249 12.927 -3.403 353 1HD PRO 45 HD2 PRO 45 -6.399 11.615 -5.895 354 2HD PRO 45 HD1 PRO 45 -6.914 13.267 -5.534 355 H ARG 46 HN ARG 46 -2.969 11.195 -5.160 356 HA ARG 46 HA ARG 46 -0.911 11.186 -7.113 357 1HB ARG 46 HB2 ARG 46 -0.193 12.492 -4.634 358 2HB ARG 46 HB1 ARG 46 0.788 11.045 -4.866 359 1HG ARG 46 HG2 ARG 46 0.392 13.234 -6.928 360 2HG ARG 46 HG1 ARG 46 1.830 13.027 -5.927 361 1HD ARG 46 HD2 ARG 46 2.133 10.748 -6.894 362 2HD ARG 46 HD1 ARG 46 0.752 11.040 -7.951 363 HE ARG 46 HE ARG 46 2.441 13.186 -8.443 364 1HH1 ARG 46 HH21 ARG 46 2.699 9.741 -8.433 365 2HH1 ARG 46 HH22 ARG 46 3.912 9.700 -9.668 366 1HH2 ARG 46 HH12 ARG 46 4.021 13.144 -10.054 367 2HH2 ARG 46 HH11 ARG 46 4.659 11.623 -10.585 368 H CYS 47 HN CYS 47 -1.723 9.999 -3.836 369 HA CYS 47 HA CYS 47 -0.462 7.478 -4.162 370 1HB CYS 47 HB2 CYS 47 -2.940 7.992 -2.487 371 2HB CYS 47 HB1 CYS 47 -1.828 6.660 -2.298 372 H ILE 48 HN ILE 48 -3.477 8.713 -5.388 373 HA ILE 48 HA ILE 48 -4.582 6.116 -5.901 374 HB ILE 48 HB ILE 48 -6.330 7.196 -6.966 375 1HG1 ILE 48 HG12 ILE 48 -4.774 8.192 -8.765 376 2HG1 ILE 48 HG11 ILE 48 -6.220 9.100 -8.364 377 1HG2 ILE 48 HG21 ILE 48 -5.906 8.136 -4.671 378 2HG2 ILE 48 HG23 ILE 48 -5.148 9.524 -5.448 379 3HG2 ILE 48 HG22 ILE 48 -6.853 9.180 -5.729 380 1HD1 ILE 48 HD12 ILE 48 -3.616 9.659 -6.963 381 2HD1 ILE 48 HD11 ILE 48 -4.010 10.416 -8.505 382 3HD1 ILE 48 HD13 ILE 48 -5.037 10.693 -7.098 383 H LYS 49 HN LYS 49 -2.775 8.396 -8.030 384 HA LYS 49 HA LYS 49 -2.775 6.617 -10.279 385 1HB LYS 49 HB2 LYS 49 -1.346 9.073 -9.476 386 2HB LYS 49 HB1 LYS 49 -0.438 8.023 -10.563 387 1HG LYS 49 HG2 LYS 49 -2.872 7.952 -11.762 388 2HG LYS 49 HG1 LYS 49 -2.914 9.573 -11.069 389 1HD LYS 49 HD2 LYS 49 -0.536 9.835 -12.074 390 2HD LYS 49 HD1 LYS 49 -0.955 8.430 -13.055 391 1HE LYS 49 HE2 LYS 49 -2.695 9.557 -14.155 392 2HE LYS 49 HE1 LYS 49 -2.830 10.780 -12.890 393 1HZ LYS 49 HZ1 LYS 49 -0.548 11.505 -13.544 394 2HZ LYS 49 HZ3 LYS 49 -0.662 10.480 -14.889 395 3HZ LYS 49 HZ2 LYS 49 -1.744 11.779 -14.720 396 H ALA 50 HN ALA 50 -0.096 7.343 -8.009 397 HA ALA 50 HA ALA 50 1.659 5.282 -8.801 398 1HB ALA 50 HB1 ALA 50 2.218 7.006 -7.087 399 2HB ALA 50 HB3 ALA 50 1.137 6.187 -5.958 400 3HB ALA 50 HB2 ALA 50 2.583 5.368 -6.544 401 H PHE 51 HN PHE 51 -0.593 5.221 -6.108 402 HA PHE 51 HA PHE 51 -0.216 2.428 -5.763 403 1HB PHE 51 HB2 PHE 51 -1.149 2.804 -3.806 404 2HB PHE 51 HB1 PHE 51 -1.114 4.491 -4.203 405 HD1 PHE 51 HD1 PHE 51 -3.433 4.260 -6.320 406 HD2 PHE 51 HD2 PHE 51 -2.980 2.936 -2.286 407 HE1 PHE 51 HE1 PHE 51 -5.879 4.270 -6.041 408 HE2 PHE 51 HE2 PHE 51 -5.431 2.975 -2.000 409 HZ PHE 51 HZ PHE 51 -6.884 3.634 -3.888 410 H THR 52 HN THR 52 -2.015 4.011 -8.115 411 HA THR 52 HA THR 52 -4.274 2.128 -8.160 412 HB THR 52 HB THR 52 -3.401 4.431 -9.883 413 HG1 THR 52 HG1 THR 52 -5.652 3.564 -8.467 414 1HG2 THR 52 HG22 THR 52 -5.066 2.091 -10.806 415 2HG2 THR 52 HG21 THR 52 -5.320 3.706 -11.469 416 3HG2 THR 52 HG23 THR 52 -3.756 2.912 -11.656 417 H GLU 53 HN GLU 53 -1.244 2.708 -9.911 418 HA GLU 53 HA GLU 53 -1.629 0.287 -11.544 419 1HB GLU 53 HB2 GLU 53 1.046 1.599 -11.122 420 2HB GLU 53 HB1 GLU 53 0.393 0.855 -12.582 421 1HG GLU 53 HG2 GLU 53 -1.382 2.940 -12.004 422 2HG GLU 53 HG1 GLU 53 0.217 3.619 -11.697 423 H CYS 54 HN CYS 54 -0.016 1.239 -8.584 424 HA CYS 54 HA CYS 54 1.418 -1.260 -8.220 425 1HB CYS 54 HB2 CYS 54 2.355 0.559 -7.102 426 2HB CYS 54 HB1 CYS 54 0.793 1.160 -6.533 427 H CYS 55 HN CYS 55 -1.691 0.023 -7.158 428 HA CYS 55 HA CYS 55 -2.262 -2.243 -5.418 429 1HB CYS 55 HB2 CYS 55 -3.279 0.043 -5.086 430 2HB CYS 55 HB1 CYS 55 -4.246 -0.219 -6.533 431 H VAL 56 HN VAL 56 -3.300 -1.196 -8.653 432 HA VAL 56 HA VAL 56 -5.053 -3.384 -9.159 433 HB VAL 56 HB VAL 56 -4.694 -2.860 -11.559 434 1HG1 VAL 56 HG12 VAL 56 -5.228 -0.758 -9.513 435 2HG1 VAL 56 HG11 VAL 56 -5.023 -0.223 -11.180 436 3HG1 VAL 56 HG13 VAL 56 -6.282 -1.389 -10.777 437 1HG2 VAL 56 HG23 VAL 56 -2.382 -1.324 -10.394 438 2HG2 VAL 56 HG22 VAL 56 -2.407 -2.395 -11.795 439 3HG2 VAL 56 HG21 VAL 56 -3.126 -0.788 -11.901 440 H VAL 57 HN VAL 57 -1.564 -2.952 -9.922 441 HA VAL 57 HA VAL 57 -1.232 -5.559 -11.042 442 HB VAL 57 HB VAL 57 0.540 -3.955 -11.316 443 1HG1 VAL 57 HG13 VAL 57 -0.075 -3.097 -8.813 444 2HG1 VAL 57 HG12 VAL 57 1.406 -3.997 -8.485 445 3HG1 VAL 57 HG11 VAL 57 1.414 -2.673 -9.648 446 1HG2 VAL 57 HG21 VAL 57 1.397 -6.161 -9.418 447 2HG2 VAL 57 HG23 VAL 57 1.263 -6.297 -11.170 448 3HG2 VAL 57 HG22 VAL 57 2.485 -5.242 -10.458 449 H ALA 58 HN ALA 58 -0.565 -4.457 -7.678 450 HA ALA 58 HA ALA 58 0.167 -6.839 -6.492 451 1HB ALA 58 HB2 ALA 58 -1.305 -4.444 -5.585 452 2HB ALA 58 HB1 ALA 58 -1.551 -5.885 -4.596 453 3HB ALA 58 HB3 ALA 58 0.077 -5.260 -4.853 454 H SER 59 HN SER 59 -3.223 -5.763 -6.666 455 HA SER 59 HA SER 59 -4.330 -8.291 -5.905 456 1HB SER 59 HB2 SER 59 -6.123 -6.881 -7.656 457 2HB SER 59 HB1 SER 59 -6.226 -7.073 -5.909 458 HG SER 59 HG SER 59 -5.866 -4.862 -7.074 459 H GLN 60 HN GLN 60 -4.748 -6.779 -9.067 460 HA GLN 60 HA GLN 60 -5.616 -8.622 -10.726 461 1HB GLN 60 HB2 GLN 60 -4.518 -6.439 -11.391 462 2HB GLN 60 HB1 GLN 60 -2.983 -7.309 -11.412 463 1HG GLN 60 HG2 GLN 60 -3.772 -7.389 -13.656 464 2HG GLN 60 HG1 GLN 60 -4.128 -8.980 -12.983 465 1HE2 GLN 60 HE22 GLN 60 -7.184 -6.515 -14.067 466 2HE2 GLN 60 HE21 GLN 60 -5.572 -5.989 -14.152 467 H LEU 61 HN LEU 61 -2.125 -8.814 -9.789 468 HA LEU 61 HA LEU 61 -2.077 -11.489 -11.019 469 1HB LEU 61 HB2 LEU 61 0.216 -11.073 -9.381 470 2HB LEU 61 HB1 LEU 61 0.143 -11.256 -11.123 471 HG LEU 61 HG LEU 61 0.022 -8.745 -9.493 472 1HD1 LEU 61 HD13 LEU 61 2.131 -10.100 -10.541 473 2HD1 LEU 61 HD12 LEU 61 1.752 -8.991 -11.860 474 3HD1 LEU 61 HD11 LEU 61 2.120 -8.359 -10.255 475 1HD2 LEU 61 HD21 LEU 61 -1.355 -9.261 -11.947 476 2HD2 LEU 61 HD23 LEU 61 -1.178 -7.712 -11.121 477 3HD2 LEU 61 HD22 LEU 61 0.017 -8.215 -12.316 478 H ARG 62 HN ARG 62 -1.626 -10.197 -7.710 479 HA ARG 62 HA ARG 62 -1.259 -12.460 -6.256 480 1HB ARG 62 HB2 ARG 62 -3.136 -10.157 -5.749 481 2HB ARG 62 HB1 ARG 62 -3.060 -11.496 -4.604 482 1HG ARG 62 HG2 ARG 62 -0.391 -10.673 -5.359 483 2HG ARG 62 HG1 ARG 62 -1.308 -9.295 -4.750 484 1HD ARG 62 HD2 ARG 62 -1.891 -10.542 -2.725 485 2HD ARG 62 HD1 ARG 62 -1.050 -11.967 -3.338 486 HE ARG 62 HE ARG 62 0.891 -9.992 -3.369 487 1HH1 ARG 62 HH21 ARG 62 -1.324 -11.280 -1.054 488 2HH1 ARG 62 HH22 ARG 62 -0.287 -10.974 0.299 489 1HH2 ARG 62 HH12 ARG 62 2.251 -9.590 -1.612 490 2HH2 ARG 62 HH11 ARG 62 1.733 -10.019 -0.015 491 H ALA 63 HN ALA 63 -4.233 -11.660 -7.972 492 HA ALA 63 HA ALA 63 -5.796 -13.855 -6.928 493 1HB ALA 63 HB3 ALA 63 -6.480 -11.757 -8.425 494 2HB ALA 63 HB2 ALA 63 -6.139 -12.874 -9.747 495 3HB ALA 63 HB1 ALA 63 -7.371 -13.273 -8.552 496 H ASN 64 HN ASN 64 -4.071 -13.412 -10.023 497 HA ASN 64 HA ASN 64 -3.298 -16.292 -9.935 498 1HB ASN 64 HB2 ASN 64 -5.300 -15.363 -11.607 499 2HB ASN 64 HB1 ASN 64 -3.871 -15.289 -12.638 500 1HD2 ASN 64 HD21 ASN 64 -5.686 -17.175 -13.414 501 2HD2 ASN 64 HD22 ASN 64 -5.179 -18.737 -12.984 502 H ILE 65 HN ILE 65 -1.397 -14.716 -9.138 503 HA ILE 65 HA ILE 65 0.018 -13.086 -10.957 504 HB ILE 65 HB ILE 65 1.807 -14.713 -9.262 505 1HG1 ILE 65 HG12 ILE 65 -0.527 -13.185 -8.096 506 2HG1 ILE 65 HG11 ILE 65 -0.087 -14.865 -7.786 507 1HG2 ILE 65 HG21 ILE 65 1.610 -12.081 -10.328 508 2HG2 ILE 65 HG23 ILE 65 1.591 -11.920 -8.572 509 3HG2 ILE 65 HG22 ILE 65 2.926 -12.750 -9.368 510 1HD1 ILE 65 HD13 ILE 65 2.224 -13.500 -7.119 511 2HD1 ILE 65 HD12 ILE 65 0.956 -12.408 -6.563 512 3HD1 ILE 65 HD11 ILE 65 1.012 -14.068 -5.971 513 H SER 66 HN SER 66 0.521 -13.684 -12.984 514 HA SER 66 HA SER 66 2.425 -15.816 -13.451 515 1HB SER 66 HB2 SER 66 -0.271 -16.604 -13.417 516 2HB SER 66 HB1 SER 66 0.135 -16.451 -15.124 517 HG SER 66 HG SER 66 0.704 -18.500 -14.430 518 H HIS 67 HN HIS 67 0.029 -13.573 -14.785 519 HA HIS 67 HA HIS 67 1.101 -13.466 -17.441 520 1HB HIS 67 HB2 HIS 67 -1.125 -12.470 -16.356 521 2HB HIS 67 HB1 HIS 67 -0.119 -11.028 -16.213 522 HD1 HIS 67 HD1 HIS 67 -1.192 -9.678 -18.100 523 HD2 HIS 67 HD2 HIS 67 0.111 -13.439 -19.339 524 HE1 HIS 67 HE1 HIS 67 -1.358 -9.697 -20.627 525 H LYS 68 HN LYS 68 1.401 -10.472 -17.446 526 HA LYS 68 HA LYS 68 4.269 -10.454 -16.720 527 1HB LYS 68 HB2 LYS 68 4.432 -8.478 -18.076 528 2HB LYS 68 HB1 LYS 68 3.403 -9.609 -18.956 529 1HG LYS 68 HG2 LYS 68 1.399 -8.468 -17.974 530 2HG LYS 68 HG1 LYS 68 2.482 -7.273 -17.258 531 1HD LYS 68 HD2 LYS 68 3.378 -6.870 -19.615 532 2HD LYS 68 HD1 LYS 68 2.007 -7.816 -20.195 533 1HE LYS 68 HE2 LYS 68 0.563 -6.220 -18.748 534 2HE LYS 68 HE1 LYS 68 1.985 -5.176 -18.739 535 1HZ LYS 68 HZ2 LYS 68 1.955 -5.503 -21.252 536 2HZ LYS 68 HZ1 LYS 68 0.362 -6.060 -21.042 537 3HZ LYS 68 HZ3 LYS 68 0.775 -4.481 -20.579 538 H ASP 69 HN ASP 69 4.620 -7.726 -16.209 539 HA ASP 69 HA ASP 69 3.201 -7.456 -13.591 540 1HB ASP 69 HB2 ASP 69 5.956 -7.417 -14.220 541 2HB ASP 69 HB1 ASP 69 5.521 -5.750 -13.846 542 H MET 70 HN MET 70 2.122 -5.540 -13.160 543 HA MET 70 HA MET 70 1.752 -3.718 -15.458 544 1HB MET 70 HB2 MET 70 0.011 -4.709 -13.569 545 2HB MET 70 HB1 MET 70 0.340 -3.089 -12.955 546 1HG MET 70 HG2 MET 70 -1.553 -2.959 -14.467 547 2HG MET 70 HG1 MET 70 -0.169 -2.186 -15.242 548 1HE MET 70 HE2 MET 70 -3.032 -3.845 -15.870 549 2HE MET 70 HE1 MET 70 -2.809 -5.251 -16.907 550 3HE MET 70 HE3 MET 70 -2.521 -5.377 -15.166 551 H CYS 71 HN CYS 71 2.059 -3.085 -11.944 552 HA CYS 71 HA CYS 71 4.184 -1.104 -12.558 553 1HB CYS 71 HB2 CYS 71 1.439 -0.484 -11.799 554 2HB CYS 71 HB1 CYS 71 2.598 0.192 -10.650 555 1H CYS 72 HN3 CYS 72 3.793 4.656 -12.005 556 2H CYS 72 HN2 CYS 72 2.392 3.707 -12.152 557 3H CYS 72 HN1 CYS 72 2.300 5.264 -11.480 558 HA CYS 72 HA CYS 72 2.193 3.755 -9.677 559 1HB CYS 72 HB2 CYS 72 4.574 2.401 -9.593 560 2HB CYS 72 HB1 CYS 72 3.023 1.717 -10.036 561 H LEU 73 HN LEU 73 5.659 3.824 -10.234 562 HA LEU 73 HA LEU 73 6.458 4.976 -7.883 563 1HB LEU 73 HB2 LEU 73 8.495 5.663 -8.970 564 2HB LEU 73 HB1 LEU 73 7.955 4.185 -9.767 565 HG LEU 73 HG LEU 73 6.652 6.199 -11.175 566 1HD1 LEU 73 HD11 LEU 73 8.489 7.605 -9.814 567 2HD1 LEU 73 HD13 LEU 73 9.504 7.069 -11.151 568 3HD1 LEU 73 HD12 LEU 73 8.047 8.008 -11.473 569 1HD2 LEU 73 HD23 LEU 73 8.971 4.378 -11.586 570 2HD2 LEU 73 HD22 LEU 73 7.479 4.524 -12.514 571 3HD2 LEU 73 HD21 LEU 73 8.783 5.687 -12.752 572 H GLY 74 HN GLY 74 7.232 7.252 -7.431 573 1HA GLY 74 HA2 GLY 74 5.516 9.289 -8.788 574 2HA GLY 74 HA1 GLY 74 5.628 9.232 -7.028 575 1HN DAR 75 HN ARG 75 6.606 11.152 -9.318 576 HA DAR 75 HA ARG 75 9.446 11.257 -9.224 577 1HB DAR 75 HB1 ARG 75 8.466 11.776 -6.730 578 2HB DAR 75 HB2 ARG 75 8.510 13.402 -7.411 579 1HG DAR 75 HG1 ARG 75 10.841 13.288 -7.815 580 2HG DAR 75 HG2 ARG 75 10.868 11.531 -7.653 581 1HD DAR 75 HD1 ARG 75 11.237 11.695 -5.438 582 2HD DAR 75 HD2 ARG 75 9.817 12.719 -5.249 583 HNE DAR 75 HE ARG 75 11.303 14.472 -4.912 584 1HH1 DAR 75 HH11 ARG 75 12.967 15.845 -5.522 585 2HH1 DAR 75 HH12 ARG 75 14.116 15.326 -6.709 586 1HH2 DAR 75 HH21 ARG 75 12.675 12.212 -7.152 587 2HH2 DAR 75 HH22 ARG 75 13.943 13.283 -7.633 No H/Q in entry = 587 Start of MODEL 10 1 1H MET 1 HN2 MET 1 15.295 -14.682 3.658 2 2H MET 1 HN1 MET 1 16.830 -13.956 3.727 3 3H MET 1 HN3 MET 1 15.988 -14.292 5.160 4 HA MET 1 HA MET 1 15.202 -12.233 5.104 5 1HB MET 1 HB2 MET 1 16.789 -12.324 2.644 6 2HB MET 1 HB1 MET 1 15.436 -11.197 2.539 7 1HG MET 1 HG2 MET 1 16.206 -9.900 4.326 8 2HG MET 1 HG1 MET 1 17.179 -11.213 4.989 9 1HE MET 1 HE1 MET 1 17.304 -8.061 3.894 10 2HE MET 1 HE3 MET 1 18.720 -8.484 4.867 11 3HE MET 1 HE2 MET 1 18.926 -7.810 3.253 12 H LEU 2 HN LEU 2 13.011 -12.318 5.279 13 HA LEU 2 HA LEU 2 11.345 -13.548 3.232 14 1HB LEU 2 HB2 LEU 2 10.978 -13.249 5.857 15 2HB LEU 2 HB1 LEU 2 10.182 -11.765 5.332 16 HG LEU 2 HG LEU 2 8.797 -13.115 3.751 17 1HD1 LEU 2 HD13 LEU 2 10.300 -15.372 5.096 18 2HD1 LEU 2 HD12 LEU 2 8.769 -15.621 4.255 19 3HD1 LEU 2 HD11 LEU 2 10.176 -15.032 3.370 20 1HD2 LEU 2 HD21 LEU 2 8.725 -13.888 6.684 21 2HD2 LEU 2 HD23 LEU 2 7.858 -12.555 5.920 22 3HD2 LEU 2 HD22 LEU 2 7.421 -14.221 5.545 23 H GLN 3 HN GLN 3 10.733 -12.521 1.396 24 HA GLN 3 HA GLN 3 10.067 -9.634 1.518 25 1HB GLN 3 HB2 GLN 3 12.539 -10.120 0.760 26 2HB GLN 3 HB1 GLN 3 11.777 -10.600 -0.757 27 1HG GLN 3 HG2 GLN 3 11.204 -8.463 -1.292 28 2HG GLN 3 HG1 GLN 3 10.789 -8.055 0.373 29 1HE2 GLN 3 HE22 GLN 3 13.784 -6.240 0.679 30 2HE2 GLN 3 HE21 GLN 3 12.111 -6.319 0.958 31 H LYS 4 HN LYS 4 7.978 -9.713 0.820 32 HA LYS 4 HA LYS 4 6.946 -11.761 -0.917 33 1HB LYS 4 HB2 LYS 4 5.804 -9.017 -0.301 34 2HB LYS 4 HB1 LYS 4 4.917 -10.371 -1.003 35 1HG LYS 4 HG2 LYS 4 4.884 -11.564 0.984 36 2HG LYS 4 HG1 LYS 4 6.365 -10.812 1.579 37 1HD LYS 4 HD2 LYS 4 4.961 -8.618 1.626 38 2HD LYS 4 HD1 LYS 4 3.567 -9.697 1.556 39 1HE LYS 4 HE2 LYS 4 5.678 -10.381 3.537 40 2HE LYS 4 HE1 LYS 4 4.700 -8.954 3.884 41 1HZ LYS 4 HZ1 LYS 4 2.888 -10.799 3.047 42 2HZ LYS 4 HZ3 LYS 4 3.976 -11.725 3.961 43 3HZ LYS 4 HZ2 LYS 4 3.206 -10.384 4.664 44 H LYS 5 HN LYS 5 5.441 -10.273 -2.802 45 HA LYS 5 HA LYS 5 7.614 -9.575 -4.706 46 1HB LYS 5 HB2 LYS 5 4.662 -10.109 -5.170 47 2HB LYS 5 HB1 LYS 5 5.852 -9.801 -6.435 48 1HG LYS 5 HG2 LYS 5 6.663 -11.913 -4.561 49 2HG LYS 5 HG1 LYS 5 5.194 -12.298 -5.459 50 1HD LYS 5 HD2 LYS 5 7.111 -11.088 -7.236 51 2HD LYS 5 HD1 LYS 5 7.865 -12.439 -6.390 52 1HE LYS 5 HE2 LYS 5 6.810 -13.297 -8.399 53 2HE LYS 5 HE1 LYS 5 5.882 -13.850 -7.005 54 1HZ LYS 5 HZ1 LYS 5 5.170 -11.339 -8.371 55 2HZ LYS 5 HZ3 LYS 5 4.643 -12.827 -8.991 56 3HZ LYS 5 HZ2 LYS 5 4.193 -12.355 -7.423 57 H ILE 6 HN ILE 6 4.323 -8.343 -3.974 58 HA ILE 6 HA ILE 6 4.939 -5.738 -5.086 59 HB ILE 6 HB ILE 6 2.640 -6.838 -3.466 60 1HG1 ILE 6 HG12 ILE 6 2.887 -7.402 -5.901 61 2HG1 ILE 6 HG11 ILE 6 1.419 -6.491 -5.546 62 1HG2 ILE 6 HG23 ILE 6 3.282 -3.995 -4.207 63 2HG2 ILE 6 HG22 ILE 6 1.601 -4.530 -4.162 64 3HG2 ILE 6 HG21 ILE 6 2.596 -4.624 -2.709 65 1HD1 ILE 6 HD11 ILE 6 3.710 -4.757 -6.100 66 2HD1 ILE 6 HD13 ILE 6 3.312 -5.811 -7.456 67 3HD1 ILE 6 HD12 ILE 6 2.089 -4.727 -6.792 68 H GLU 7 HN GLU 7 5.929 -7.191 -2.260 69 HA GLU 7 HA GLU 7 5.608 -5.170 -0.286 70 1HB GLU 7 HB2 GLU 7 6.423 -7.361 0.343 71 2HB GLU 7 HB1 GLU 7 7.835 -7.184 -0.699 72 1HG GLU 7 HG2 GLU 7 8.646 -5.319 0.667 73 2HG GLU 7 HG1 GLU 7 7.208 -5.417 1.685 74 H GLU 8 HN GLU 8 8.910 -5.763 -1.363 75 HA GLU 8 HA GLU 8 9.579 -2.969 -1.187 76 1HB GLU 8 HB2 GLU 8 11.712 -3.676 -2.332 77 2HB GLU 8 HB1 GLU 8 11.322 -4.663 -0.924 78 1HG GLU 8 HG2 GLU 8 10.512 -6.453 -2.283 79 2HG GLU 8 HG1 GLU 8 10.500 -5.442 -3.728 80 H ILE 9 HN ILE 9 8.369 -4.996 -3.792 81 HA ILE 9 HA ILE 9 9.035 -3.338 -6.006 82 HB ILE 9 HB ILE 9 6.618 -5.062 -5.400 83 1HG1 ILE 9 HG12 ILE 9 8.814 -5.294 -7.481 84 2HG1 ILE 9 HG11 ILE 9 8.834 -6.116 -5.920 85 1HG2 ILE 9 HG23 ILE 9 6.861 -2.947 -7.376 86 2HG2 ILE 9 HG22 ILE 9 6.652 -4.516 -8.154 87 3HG2 ILE 9 HG21 ILE 9 5.462 -3.945 -6.983 88 1HD1 ILE 9 HD12 ILE 9 6.296 -6.547 -7.231 89 2HD1 ILE 9 HD11 ILE 9 7.617 -7.019 -8.300 90 3HD1 ILE 9 HD13 ILE 9 7.482 -7.738 -6.696 91 H ALA 10 HN ALA 10 6.612 -3.153 -3.484 92 HA ALA 10 HA ALA 10 5.387 -0.693 -4.507 93 1HB ALA 10 HB2 ALA 10 5.102 -2.358 -2.005 94 2HB ALA 10 HB1 ALA 10 4.399 -0.743 -2.088 95 3HB ALA 10 HB3 ALA 10 3.884 -1.988 -3.225 96 H ALA 11 HN ALA 11 7.915 -1.695 -2.333 97 HA ALA 11 HA ALA 11 8.305 0.637 -0.804 98 1HB ALA 11 HB3 ALA 11 10.307 -1.370 -1.832 99 2HB ALA 11 HB2 ALA 11 10.701 -0.104 -0.667 100 3HB ALA 11 HB1 ALA 11 9.528 -1.353 -0.250 101 H LYS 12 HN LYS 12 9.243 -0.128 -4.107 102 HA LYS 12 HA LYS 12 11.076 2.074 -4.456 103 1HB LYS 12 HB2 LYS 12 9.553 0.333 -6.400 104 2HB LYS 12 HB1 LYS 12 10.666 1.596 -6.926 105 1HG LYS 12 HG2 LYS 12 12.309 0.060 -6.721 106 2HG LYS 12 HG1 LYS 12 12.101 0.220 -4.977 107 1HD LYS 12 HD2 LYS 12 11.409 -1.917 -4.889 108 2HD LYS 12 HD1 LYS 12 10.028 -1.487 -5.898 109 1HE LYS 12 HE2 LYS 12 11.175 -3.229 -7.068 110 2HE LYS 12 HE1 LYS 12 11.586 -1.731 -7.904 111 1HZ LYS 12 HZ3 LYS 12 13.401 -2.152 -5.797 112 2HZ LYS 12 HZ2 LYS 12 13.322 -3.563 -6.739 113 3HZ LYS 12 HZ1 LYS 12 13.712 -2.076 -7.463 114 H TYR 13 HN TYR 13 7.827 2.240 -3.902 115 HA TYR 13 HA TYR 13 7.177 4.309 -5.873 116 1HB TYR 13 HB2 TYR 13 5.690 3.171 -3.477 117 2HB TYR 13 HB1 TYR 13 5.054 4.498 -4.433 118 HD1 TYR 13 HD1 TYR 13 6.880 1.387 -5.292 119 HD2 TYR 13 HD2 TYR 13 3.308 3.717 -5.894 120 HE1 TYR 13 HE1 TYR 13 6.120 -0.223 -7.006 121 HE2 TYR 13 HE2 TYR 13 2.583 2.122 -7.608 122 HH TYR 13 HH TYR 13 2.915 -0.021 -8.387 123 H LYS 14 HN LYS 14 8.709 5.903 -5.504 124 HA LYS 14 HA LYS 14 10.104 7.217 -3.929 125 1HB LYS 14 HB2 LYS 14 7.920 8.306 -5.412 126 2HB LYS 14 HB1 LYS 14 8.086 9.217 -3.910 127 1HG LYS 14 HG2 LYS 14 9.529 10.227 -5.582 128 2HG LYS 14 HG1 LYS 14 10.543 9.423 -4.382 129 1HD LYS 14 HD2 LYS 14 10.342 7.365 -6.009 130 2HD LYS 14 HD1 LYS 14 9.936 8.597 -7.205 131 1HE LYS 14 HE2 LYS 14 12.041 9.832 -6.432 132 2HE LYS 14 HE1 LYS 14 12.476 8.348 -5.583 133 1HZ LYS 14 HZ2 LYS 14 12.260 7.159 -7.708 134 2HZ LYS 14 HZ1 LYS 14 11.973 8.638 -8.494 135 3HZ LYS 14 HZ3 LYS 14 13.470 8.351 -7.751 136 H HIS 15 HN HIS 15 10.476 7.077 -1.807 137 HA HIS 15 HA HIS 15 8.619 6.436 0.203 138 1HB HIS 15 HB2 HIS 15 10.309 7.309 1.799 139 2HB HIS 15 HB1 HIS 15 11.038 6.294 0.557 140 HD1 HIS 15 HD1 HIS 15 12.582 8.585 2.103 141 HD2 HIS 15 HD2 HIS 15 10.915 8.944 -1.702 142 HE1 HIS 15 HE1 HIS 15 13.824 10.464 0.951 143 H SER 16 HN SER 16 9.163 9.499 -1.351 144 HA SER 16 HA SER 16 8.404 11.397 0.516 145 1HB SER 16 HB2 SER 16 8.810 12.180 -1.688 146 2HB SER 16 HB1 SER 16 7.616 11.087 -2.383 147 HG SER 16 HG SER 16 6.695 13.105 -2.255 148 H VAL 17 HN VAL 17 5.893 10.199 -1.680 149 HA VAL 17 HA VAL 17 4.141 9.658 0.667 150 HB VAL 17 HB VAL 17 2.277 10.741 -0.832 151 1HG1 VAL 17 HG12 VAL 17 4.363 12.316 0.701 152 2HG1 VAL 17 HG11 VAL 17 2.818 12.989 0.183 153 3HG1 VAL 17 HG13 VAL 17 2.855 11.649 1.329 154 1HG2 VAL 17 HG22 VAL 17 4.843 11.908 -1.937 155 2HG2 VAL 17 HG21 VAL 17 3.511 11.174 -2.831 156 3HG2 VAL 17 HG23 VAL 17 3.296 12.746 -2.062 157 H VAL 18 HN VAL 18 4.429 9.540 -2.872 158 HA VAL 18 HA VAL 18 2.569 7.645 -3.597 159 HB VAL 18 HB VAL 18 4.006 8.567 -5.266 160 1HG1 VAL 18 HG11 VAL 18 5.955 8.230 -3.291 161 2HG1 VAL 18 HG13 VAL 18 6.469 7.170 -4.599 162 3HG1 VAL 18 HG12 VAL 18 6.211 8.887 -4.904 163 1HG2 VAL 18 HG23 VAL 18 3.621 5.778 -5.015 164 2HG2 VAL 18 HG22 VAL 18 3.973 6.670 -6.491 165 3HG2 VAL 18 HG21 VAL 18 5.290 5.986 -5.542 166 H LYS 19 HN LYS 19 5.404 7.093 -1.598 167 HA LYS 19 HA LYS 19 5.516 4.236 -1.913 168 1HB LYS 19 HB2 LYS 19 7.433 5.016 -0.878 169 2HB LYS 19 HB1 LYS 19 6.570 6.255 0.017 170 1HG LYS 19 HG2 LYS 19 6.513 4.915 1.839 171 2HG LYS 19 HG1 LYS 19 5.724 3.636 0.922 172 1HD LYS 19 HD2 LYS 19 7.655 2.497 0.585 173 2HD LYS 19 HD1 LYS 19 8.593 3.969 0.329 174 1HE LYS 19 HE2 LYS 19 8.507 4.396 2.792 175 2HE LYS 19 HE1 LYS 19 7.692 2.845 2.996 176 1HZ LYS 19 HZ2 LYS 19 10.261 3.019 1.558 177 2HZ LYS 19 HZ1 LYS 19 10.225 2.938 3.254 178 3HZ LYS 19 HZ3 LYS 19 9.559 1.680 2.333 179 H LYS 20 HN LYS 20 4.613 5.705 1.200 180 HA LYS 20 HA LYS 20 3.025 3.645 2.148 181 1HB LYS 20 HB2 LYS 20 2.612 6.632 2.481 182 2HB LYS 20 HB1 LYS 20 1.745 5.418 3.422 183 1HG LYS 20 HG2 LYS 20 3.498 5.586 4.859 184 2HG LYS 20 HG1 LYS 20 4.340 4.570 3.690 185 1HD LYS 20 HD2 LYS 20 5.618 6.295 2.906 186 2HD LYS 20 HD1 LYS 20 4.318 7.474 3.090 187 1HE LYS 20 HE2 LYS 20 4.904 6.704 5.706 188 2HE LYS 20 HE1 LYS 20 6.483 6.813 4.928 189 1HZ LYS 20 HZ2 LYS 20 4.453 8.936 4.607 190 2HZ LYS 20 HZ1 LYS 20 5.518 8.923 5.932 191 3HZ LYS 20 HZ3 LYS 20 6.131 9.027 4.354 192 H CYS 21 HN CYS 21 2.273 5.895 -0.383 193 HA CYS 21 HA CYS 21 -0.596 5.616 -0.513 194 1HB CYS 21 HB2 CYS 21 1.461 6.115 -2.662 195 2HB CYS 21 HB1 CYS 21 -0.275 6.275 -2.815 196 H CYS 22 HN CYS 22 1.982 4.068 -2.464 197 HA CYS 22 HA CYS 22 0.244 2.309 -3.818 198 1HB CYS 22 HB2 CYS 22 2.171 2.349 -4.906 199 2HB CYS 22 HB1 CYS 22 3.150 2.583 -3.465 200 H TYR 23 HN TYR 23 2.066 2.066 -0.807 201 HA TYR 23 HA TYR 23 1.369 -0.654 -0.195 202 1HB TYR 23 HB2 TYR 23 2.132 1.719 1.524 203 2HB TYR 23 HB1 TYR 23 1.719 0.156 2.229 204 HD1 TYR 23 HD2 TYR 23 3.978 1.801 -0.219 205 HD2 TYR 23 HD1 TYR 23 3.309 -1.604 2.295 206 HE1 TYR 23 HE2 TYR 23 6.274 1.012 -0.693 207 HE2 TYR 23 HE1 TYR 23 5.608 -2.407 1.819 208 HH TYR 23 HH TYR 23 7.731 -1.564 1.078 209 H ASP 24 HN ASP 24 -0.201 2.437 0.015 210 HA ASP 24 HA ASP 24 -2.400 1.641 1.717 211 1HB ASP 24 HB2 ASP 24 -1.792 3.998 -0.076 212 2HB ASP 24 HB1 ASP 24 -3.473 3.702 0.397 213 H GLY 25 HN GLY 25 -1.670 1.460 -1.678 214 1HA GLY 25 HA2 GLY 25 -4.354 0.864 -2.579 215 2HA GLY 25 HA1 GLY 25 -2.863 0.585 -3.479 216 H ALA 26 HN ALA 26 -1.450 -1.214 -2.200 217 HA ALA 26 HA ALA 26 -3.057 -3.638 -2.425 218 1HB ALA 26 HB3 ALA 26 -0.331 -2.970 -2.674 219 2HB ALA 26 HB2 ALA 26 -0.430 -4.110 -1.334 220 3HB ALA 26 HB1 ALA 26 -1.070 -4.552 -2.916 221 H SER 27 HN SER 27 -2.357 -1.568 0.215 222 HA SER 27 HA SER 27 -2.609 -3.785 2.152 223 1HB SER 27 HB2 SER 27 -2.059 -0.891 2.640 224 2HB SER 27 HB1 SER 27 -1.983 -2.166 3.828 225 HG SER 27 HG SER 27 0.019 -2.323 3.202 226 H VAL 28 HN VAL 28 -4.065 -0.608 1.480 227 HA VAL 28 HA VAL 28 -6.118 -0.581 3.338 228 HB VAL 28 HB VAL 28 -6.165 0.221 0.419 229 1HG1 VAL 28 HG13 VAL 28 -8.202 0.679 2.610 230 2HG1 VAL 28 HG12 VAL 28 -8.155 1.601 1.109 231 3HG1 VAL 28 HG11 VAL 28 -8.460 -0.133 1.066 232 1HG2 VAL 28 HG22 VAL 28 -4.698 1.307 2.353 233 2HG2 VAL 28 HG21 VAL 28 -5.514 2.322 1.164 234 3HG2 VAL 28 HG23 VAL 28 -6.225 2.088 2.761 235 H ASN 29 HN ASN 29 -8.431 -1.267 3.143 236 HA ASN 29 HA ASN 29 -8.830 -3.978 2.847 237 1HB ASN 29 HB2 ASN 29 -10.525 -1.763 3.180 238 2HB ASN 29 HB1 ASN 29 -11.153 -2.608 1.770 239 1HD2 ASN 29 HD22 ASN 29 -11.843 -4.150 5.393 240 2HD2 ASN 29 HD21 ASN 29 -11.288 -2.566 5.138 241 H ASN 30 HN ASN 30 -10.022 -5.195 1.100 242 HA ASN 30 HA ASN 30 -8.641 -5.300 -1.301 243 1HB ASN 30 HB2 ASN 30 -10.604 -6.792 -0.341 244 2HB ASN 30 HB1 ASN 30 -11.603 -5.769 -1.375 245 1HD2 ASN 30 HD22 ASN 30 -8.849 -8.271 -3.134 246 2HD2 ASN 30 HD21 ASN 30 -8.631 -7.805 -1.516 247 H ASP 31 HN ASP 31 -11.086 -2.998 -0.339 248 HA ASP 31 HA ASP 31 -10.492 -1.403 -2.728 249 1HB ASP 31 HB2 ASP 31 -12.974 -1.193 -3.264 250 2HB ASP 31 HB1 ASP 31 -12.230 -2.736 -3.684 251 H GLU 32 HN GLU 32 -10.623 -1.338 0.421 252 HA GLU 32 HA GLU 32 -12.559 0.571 1.195 253 1HB GLU 32 HB2 GLU 32 -11.469 -0.193 3.055 254 2HB GLU 32 HB1 GLU 32 -9.908 -0.261 2.250 255 1HG GLU 32 HG2 GLU 32 -9.504 2.041 2.586 256 2HG GLU 32 HG1 GLU 32 -11.211 2.390 2.859 257 H THR 33 HN THR 33 -9.346 1.001 -0.239 258 HA THR 33 HA THR 33 -10.128 3.803 -0.917 259 HB THR 33 HB THR 33 -7.301 2.961 -0.270 260 HG1 THR 33 HG1 THR 33 -7.634 3.675 1.768 261 1HG2 THR 33 HG23 THR 33 -8.588 5.335 -1.288 262 2HG2 THR 33 HG22 THR 33 -7.775 5.684 0.238 263 3HG2 THR 33 HG21 THR 33 -6.869 4.993 -1.108 264 H CYS 34 HN CYS 34 -8.161 0.957 -1.722 265 HA CYS 34 HA CYS 34 -6.874 1.466 -4.071 266 1HB CYS 34 HB2 CYS 34 -7.406 -0.808 -3.047 267 2HB CYS 34 HB1 CYS 34 -8.936 -0.744 -3.921 268 H GLU 35 HN GLU 35 -10.372 1.357 -3.678 269 HA GLU 35 HA GLU 35 -10.805 2.002 -6.533 270 1HB GLU 35 HB2 GLU 35 -12.227 0.361 -5.124 271 2HB GLU 35 HB1 GLU 35 -12.967 1.811 -4.444 272 1HG GLU 35 HG2 GLU 35 -13.544 2.577 -6.726 273 2HG GLU 35 HG1 GLU 35 -12.834 1.105 -7.391 274 H GLN 36 HN GLN 36 -12.128 3.393 -3.499 275 HA GLN 36 HA GLN 36 -13.149 5.762 -4.418 276 1HB GLN 36 HB2 GLN 36 -11.765 4.989 -1.912 277 2HB GLN 36 HB1 GLN 36 -11.892 6.723 -2.212 278 1HG GLN 36 HG2 GLN 36 -14.316 6.519 -2.513 279 2HG GLN 36 HG1 GLN 36 -14.214 4.773 -2.285 280 1HE2 GLN 36 HE22 GLN 36 -14.682 5.213 1.174 281 2HE2 GLN 36 HE21 GLN 36 -15.101 4.373 -0.240 282 H ARG 37 HN ARG 37 -9.760 4.930 -4.277 283 HA ARG 37 HA ARG 37 -9.005 7.661 -5.143 284 1HB ARG 37 HB2 ARG 37 -7.590 5.375 -3.867 285 2HB ARG 37 HB1 ARG 37 -6.639 6.416 -4.922 286 1HG ARG 37 HG2 ARG 37 -7.545 8.390 -3.615 287 2HG ARG 37 HG1 ARG 37 -8.239 7.231 -2.482 288 1HD ARG 37 HD2 ARG 37 -5.985 6.290 -2.077 289 2HD ARG 37 HD1 ARG 37 -5.297 7.485 -3.174 290 HE ARG 37 HE ARG 37 -6.666 9.028 -1.344 291 1HH1 ARG 37 HH21 ARG 37 -4.345 6.475 -1.177 292 2HH1 ARG 37 HH22 ARG 37 -3.615 7.061 0.278 293 1HH2 ARG 37 HH12 ARG 37 -5.719 9.800 0.554 294 2HH2 ARG 37 HH11 ARG 37 -4.390 8.940 1.258 295 H ALA 38 HN ALA 38 -8.718 4.220 -6.194 296 HA ALA 38 HA ALA 38 -7.388 4.951 -8.669 297 1HB ALA 38 HB2 ALA 38 -7.224 2.684 -7.663 298 2HB ALA 38 HB1 ALA 38 -8.933 2.427 -8.016 299 3HB ALA 38 HB3 ALA 38 -7.781 2.633 -9.336 300 H ALA 39 HN ALA 39 -10.459 5.666 -7.719 301 HA ALA 39 HA ALA 39 -11.364 5.779 -10.547 302 1HB ALA 39 HB1 ALA 39 -12.733 4.395 -8.267 303 2HB ALA 39 HB3 ALA 39 -13.721 5.200 -9.487 304 3HB ALA 39 HB2 ALA 39 -12.614 3.911 -9.959 305 H ARG 40 HN ARG 40 -12.631 6.560 -7.284 306 HA ARG 40 HA ARG 40 -13.680 9.109 -8.278 307 1HB ARG 40 HB2 ARG 40 -14.577 7.501 -6.356 308 2HB ARG 40 HB1 ARG 40 -13.507 8.486 -5.357 309 1HG ARG 40 HG2 ARG 40 -14.626 10.525 -6.110 310 2HG ARG 40 HG1 ARG 40 -15.651 9.587 -7.196 311 1HD ARG 40 HD2 ARG 40 -17.084 9.705 -5.400 312 2HD ARG 40 HD1 ARG 40 -16.175 8.273 -4.915 313 HE ARG 40 HE ARG 40 -14.724 10.380 -3.844 314 1HH1 ARG 40 HH21 ARG 40 -18.003 9.295 -3.759 315 2HH1 ARG 40 HH22 ARG 40 -18.302 9.918 -2.172 316 1HH2 ARG 40 HH12 ARG 40 -15.104 11.195 -1.775 317 2HH2 ARG 40 HH11 ARG 40 -16.664 10.992 -1.049 318 H ILE 41 HN ILE 41 -11.712 10.190 -8.914 319 HA ILE 41 HA ILE 41 -9.972 10.989 -6.616 320 HB ILE 41 HB ILE 41 -9.384 10.691 -9.567 321 1HG1 ILE 41 HG12 ILE 41 -7.666 9.693 -7.333 322 2HG1 ILE 41 HG11 ILE 41 -9.187 8.854 -7.649 323 1HG2 ILE 41 HG22 ILE 41 -7.920 12.246 -7.442 324 2HG2 ILE 41 HG21 ILE 41 -7.059 11.544 -8.812 325 3HG2 ILE 41 HG23 ILE 41 -8.325 12.741 -9.086 326 1HD1 ILE 41 HD11 ILE 41 -7.331 9.503 -9.925 327 2HD1 ILE 41 HD13 ILE 41 -7.031 8.085 -8.921 328 3HD1 ILE 41 HD12 ILE 41 -8.546 8.229 -9.813 329 H SER 42 HN SER 42 -10.913 12.893 -5.919 330 HA SER 42 HA SER 42 -12.295 14.789 -7.478 331 1HB SER 42 HB2 SER 42 -12.009 14.689 -4.915 332 2HB SER 42 HB1 SER 42 -10.506 15.570 -5.171 333 HG SER 42 HG SER 42 -11.686 17.216 -6.140 334 H LEU 43 HN LEU 43 -8.915 15.176 -6.342 335 HA LEU 43 HA LEU 43 -8.386 16.667 -8.883 336 1HB LEU 43 HB2 LEU 43 -6.425 17.598 -7.322 337 2HB LEU 43 HB1 LEU 43 -8.030 18.331 -7.320 338 HG LEU 43 HG LEU 43 -8.650 16.810 -5.415 339 1HD1 LEU 43 HD13 LEU 43 -6.003 15.766 -6.063 340 2HD1 LEU 43 HD12 LEU 43 -6.146 16.185 -4.356 341 3HD1 LEU 43 HD11 LEU 43 -7.280 15.046 -5.081 342 1HD2 LEU 43 HD23 LEU 43 -6.620 18.972 -5.342 343 2HD2 LEU 43 HD22 LEU 43 -8.167 18.852 -4.503 344 3HD2 LEU 43 HD21 LEU 43 -6.753 18.003 -3.875 345 H GLY 44 HN GLY 44 -7.398 14.118 -6.736 346 1HA GLY 44 HA2 GLY 44 -6.000 12.284 -7.342 347 2HA GLY 44 HA1 GLY 44 -5.464 13.189 -8.756 348 HA PRO 45 HA PRO 45 -3.045 14.852 -4.752 349 1HB PRO 45 HB2 PRO 45 -2.870 12.489 -3.136 350 2HB PRO 45 HB1 PRO 45 -3.582 14.050 -2.713 351 1HG PRO 45 HG2 PRO 45 -4.929 11.586 -3.247 352 2HG PRO 45 HG1 PRO 45 -5.636 13.147 -2.821 353 1HD PRO 45 HD2 PRO 45 -5.755 11.811 -5.330 354 2HD PRO 45 HD1 PRO 45 -6.389 13.409 -4.927 355 H ARG 46 HN ARG 46 -2.653 11.301 -4.789 356 HA ARG 46 HA ARG 46 -0.629 11.191 -6.777 357 1HB ARG 46 HB2 ARG 46 0.295 12.447 -4.457 358 2HB ARG 46 HB1 ARG 46 0.895 10.793 -4.327 359 1HG ARG 46 HG2 ARG 46 2.227 10.979 -6.199 360 2HG ARG 46 HG1 ARG 46 1.147 12.135 -6.980 361 1HD ARG 46 HD2 ARG 46 1.916 13.928 -5.574 362 2HD ARG 46 HD1 ARG 46 2.803 12.811 -4.536 363 HE ARG 46 HE ARG 46 3.930 12.416 -7.035 364 1HH1 ARG 46 HH21 ARG 46 3.281 15.122 -4.985 365 2HH1 ARG 46 HH22 ARG 46 4.639 16.037 -5.549 366 1HH2 ARG 46 HH12 ARG 46 5.701 13.604 -7.777 367 2HH2 ARG 46 HH11 ARG 46 6.006 15.180 -7.128 368 H CYS 47 HN CYS 47 -1.685 9.893 -3.627 369 HA CYS 47 HA CYS 47 -0.628 7.289 -4.038 370 1HB CYS 47 HB2 CYS 47 -3.175 7.779 -2.486 371 2HB CYS 47 HB1 CYS 47 -1.991 6.530 -2.214 372 H ILE 48 HN ILE 48 -3.519 8.806 -5.317 373 HA ILE 48 HA ILE 48 -4.751 6.310 -5.961 374 HB ILE 48 HB ILE 48 -6.282 7.547 -7.301 375 1HG1 ILE 48 HG12 ILE 48 -4.523 8.820 -8.615 376 2HG1 ILE 48 HG11 ILE 48 -5.935 9.758 -8.162 377 1HG2 ILE 48 HG22 ILE 48 -5.462 8.504 -4.719 378 2HG2 ILE 48 HG21 ILE 48 -6.102 9.838 -5.678 379 3HG2 ILE 48 HG23 ILE 48 -7.086 8.402 -5.401 380 1HD1 ILE 48 HD12 ILE 48 -4.646 10.521 -6.112 381 2HD1 ILE 48 HD11 ILE 48 -3.214 9.802 -6.845 382 3HD1 ILE 48 HD13 ILE 48 -4.047 11.128 -7.655 383 H LYS 49 HN LYS 49 -2.789 8.511 -8.067 384 HA LYS 49 HA LYS 49 -2.782 6.667 -10.262 385 1HB LYS 49 HB2 LYS 49 -1.213 9.066 -9.467 386 2HB LYS 49 HB1 LYS 49 -0.447 7.976 -10.624 387 1HG LYS 49 HG2 LYS 49 -2.993 8.124 -11.626 388 2HG LYS 49 HG1 LYS 49 -2.779 9.749 -10.972 389 1HD LYS 49 HD2 LYS 49 -1.503 10.289 -12.741 390 2HD LYS 49 HD1 LYS 49 -0.359 9.023 -12.298 391 1HE LYS 49 HE2 LYS 49 -1.093 7.642 -13.932 392 2HE LYS 49 HE1 LYS 49 -2.785 7.969 -13.556 393 1HZ LYS 49 HZ1 LYS 49 -2.609 10.059 -14.755 394 2HZ LYS 49 HZ3 LYS 49 -0.984 9.738 -15.120 395 3HZ LYS 49 HZ2 LYS 49 -2.209 8.752 -15.764 396 H ALA 50 HN ALA 50 -0.175 7.380 -7.913 397 HA ALA 50 HA ALA 50 1.588 5.296 -8.582 398 1HB ALA 50 HB2 ALA 50 0.866 6.362 -5.833 399 2HB ALA 50 HB1 ALA 50 2.243 5.311 -6.156 400 3HB ALA 50 HB3 ALA 50 2.184 6.926 -6.861 401 H PHE 51 HN PHE 51 -0.703 5.259 -5.933 402 HA PHE 51 HA PHE 51 -0.456 2.466 -5.602 403 1HB PHE 51 HB2 PHE 51 -1.414 2.912 -3.677 404 2HB PHE 51 HB1 PHE 51 -1.401 4.586 -4.108 405 HD1 PHE 51 HD1 PHE 51 -3.680 4.335 -6.239 406 HD2 PHE 51 HD2 PHE 51 -3.250 2.952 -2.223 407 HE1 PHE 51 HE1 PHE 51 -6.137 4.306 -5.981 408 HE2 PHE 51 HE2 PHE 51 -5.701 2.936 -1.958 409 HZ PHE 51 HZ PHE 51 -7.151 3.606 -3.845 410 H THR 52 HN THR 52 -2.122 4.122 -8.006 411 HA THR 52 HA THR 52 -4.447 2.345 -8.177 412 HB THR 52 HB THR 52 -3.342 4.575 -9.846 413 HG1 THR 52 HG1 THR 52 -5.953 3.781 -9.078 414 1HG2 THR 52 HG23 THR 52 -5.212 2.450 -10.940 415 2HG2 THR 52 HG22 THR 52 -4.884 4.001 -11.713 416 3HG2 THR 52 HG21 THR 52 -3.591 2.815 -11.532 417 H GLU 53 HN GLU 53 -1.318 2.731 -9.832 418 HA GLU 53 HA GLU 53 -1.745 0.278 -11.394 419 1HB GLU 53 HB2 GLU 53 0.063 2.438 -11.493 420 2HB GLU 53 HB1 GLU 53 1.046 1.032 -11.083 421 1HG GLU 53 HG2 GLU 53 0.951 0.357 -13.224 422 2HG GLU 53 HG1 GLU 53 -0.801 0.211 -13.086 423 H CYS 54 HN CYS 54 -0.111 1.220 -8.426 424 HA CYS 54 HA CYS 54 1.165 -1.319 -7.945 425 1HB CYS 54 HB2 CYS 54 2.072 0.506 -6.813 426 2HB CYS 54 HB1 CYS 54 0.498 1.102 -6.276 427 H CYS 55 HN CYS 55 -1.979 0.025 -7.038 428 HA CYS 55 HA CYS 55 -2.643 -2.271 -5.361 429 1HB CYS 55 HB2 CYS 55 -3.635 0.028 -5.007 430 2HB CYS 55 HB1 CYS 55 -4.575 -0.199 -6.476 431 H VAL 56 HN VAL 56 -3.804 -1.053 -8.520 432 HA VAL 56 HA VAL 56 -5.485 -3.170 -9.209 433 HB VAL 56 HB VAL 56 -4.934 -2.685 -11.574 434 1HG1 VAL 56 HG11 VAL 56 -5.459 -0.543 -9.572 435 2HG1 VAL 56 HG13 VAL 56 -5.078 -0.021 -11.213 436 3HG1 VAL 56 HG12 VAL 56 -6.452 -1.089 -10.923 437 1HG2 VAL 56 HG21 VAL 56 -2.613 -1.256 -10.280 438 2HG2 VAL 56 HG23 VAL 56 -2.591 -2.404 -11.619 439 3HG2 VAL 56 HG22 VAL 56 -3.205 -0.770 -11.869 440 H VAL 57 HN VAL 57 -1.923 -2.983 -9.778 441 HA VAL 57 HA VAL 57 -1.738 -5.663 -10.783 442 HB VAL 57 HB VAL 57 0.176 -4.259 -11.093 443 1HG1 VAL 57 HG11 VAL 57 -0.486 -3.212 -8.619 444 2HG1 VAL 57 HG13 VAL 57 1.014 -4.078 -8.286 445 3HG1 VAL 57 HG12 VAL 57 0.972 -2.827 -9.527 446 1HG2 VAL 57 HG21 VAL 57 0.331 -6.773 -9.745 447 2HG2 VAL 57 HG23 VAL 57 1.522 -6.052 -10.826 448 3HG2 VAL 57 HG22 VAL 57 1.605 -5.743 -9.093 449 H ALA 58 HN ALA 58 -1.309 -4.377 -7.461 450 HA ALA 58 HA ALA 58 -0.642 -6.654 -6.057 451 1HB ALA 58 HB3 ALA 58 -1.240 -4.358 -5.105 452 2HB ALA 58 HB2 ALA 58 -2.923 -4.878 -5.167 453 3HB ALA 58 HB1 ALA 58 -1.771 -5.746 -4.153 454 H SER 59 HN SER 59 -4.041 -5.723 -6.555 455 HA SER 59 HA SER 59 -5.273 -8.122 -5.827 456 1HB SER 59 HB2 SER 59 -6.348 -6.888 -8.284 457 2HB SER 59 HB1 SER 59 -7.149 -7.221 -6.755 458 HG SER 59 HG SER 59 -6.905 -4.982 -7.080 459 H GLN 60 HN GLN 60 -4.425 -7.160 -9.132 460 HA GLN 60 HA GLN 60 -5.059 -9.548 -10.420 461 1HB GLN 60 HB2 GLN 60 -3.221 -7.285 -11.008 462 2HB GLN 60 HB1 GLN 60 -3.028 -8.749 -11.973 463 1HG GLN 60 HG2 GLN 60 -5.085 -8.530 -12.974 464 2HG GLN 60 HG1 GLN 60 -5.810 -7.770 -11.557 465 1HE2 GLN 60 HE22 GLN 60 -5.512 -4.616 -13.081 466 2HE2 GLN 60 HE21 GLN 60 -6.462 -5.701 -12.185 467 H LEU 61 HN LEU 61 -1.611 -8.703 -10.072 468 HA LEU 61 HA LEU 61 -0.744 -11.402 -10.311 469 1HB LEU 61 HB2 LEU 61 1.343 -10.499 -10.342 470 2HB LEU 61 HB1 LEU 61 0.487 -8.967 -10.396 471 HG LEU 61 HG LEU 61 0.536 -9.354 -7.731 472 1HD1 LEU 61 HD12 LEU 61 2.819 -10.905 -8.897 473 2HD1 LEU 61 HD11 LEU 61 3.037 -10.053 -7.370 474 3HD1 LEU 61 HD13 LEU 61 1.802 -11.300 -7.511 475 1HD2 LEU 61 HD22 LEU 61 2.129 -7.891 -9.688 476 2HD2 LEU 61 HD21 LEU 61 1.451 -7.336 -8.156 477 3HD2 LEU 61 HD23 LEU 61 3.001 -8.177 -8.183 478 H ARG 62 HN ARG 62 -2.277 -10.034 -7.604 479 HA ARG 62 HA ARG 62 -0.879 -12.026 -5.882 480 1HB ARG 62 HB2 ARG 62 -2.775 -9.819 -5.015 481 2HB ARG 62 HB1 ARG 62 -1.852 -10.875 -3.950 482 1HG ARG 62 HG2 ARG 62 -0.221 -9.482 -5.972 483 2HG ARG 62 HG1 ARG 62 -1.001 -8.420 -4.802 484 1HD ARG 62 HD2 ARG 62 0.378 -10.895 -3.834 485 2HD ARG 62 HD1 ARG 62 1.357 -9.495 -4.258 486 HE ARG 62 HE ARG 62 -0.136 -9.836 -1.843 487 1HH1 ARG 62 HH21 ARG 62 0.458 -7.474 -4.290 488 2HH1 ARG 62 HH22 ARG 62 -0.111 -6.153 -3.327 489 1HH2 ARG 62 HH12 ARG 62 -0.860 -8.128 -0.581 490 2HH2 ARG 62 HH11 ARG 62 -0.850 -6.521 -1.228 491 H ALA 63 HN ALA 63 -3.732 -11.541 -7.621 492 HA ALA 63 HA ALA 63 -5.258 -13.457 -5.939 493 1HB ALA 63 HB2 ALA 63 -5.999 -11.546 -8.147 494 2HB ALA 63 HB1 ALA 63 -7.078 -12.870 -7.707 495 3HB ALA 63 HB3 ALA 63 -6.650 -11.646 -6.511 496 H ASN 64 HN ASN 64 -3.310 -13.332 -8.739 497 HA ASN 64 HA ASN 64 -3.571 -16.146 -9.213 498 1HB ASN 64 HB2 ASN 64 -5.669 -14.698 -10.313 499 2HB ASN 64 HB1 ASN 64 -4.551 -14.885 -11.665 500 1HD2 ASN 64 HD22 ASN 64 -5.181 -18.338 -12.037 501 2HD2 ASN 64 HD21 ASN 64 -4.349 -16.970 -12.603 502 H ILE 65 HN ILE 65 -1.484 -14.125 -8.932 503 HA ILE 65 HA ILE 65 -0.091 -13.038 -10.926 504 HB ILE 65 HB ILE 65 1.807 -14.947 -10.066 505 1HG1 ILE 65 HG12 ILE 65 -0.035 -14.095 -7.822 506 2HG1 ILE 65 HG11 ILE 65 0.104 -15.740 -8.438 507 1HG2 ILE 65 HG23 ILE 65 1.095 -12.118 -9.562 508 2HG2 ILE 65 HG22 ILE 65 2.161 -12.867 -8.377 509 3HG2 ILE 65 HG21 ILE 65 2.628 -12.811 -10.077 510 1HD1 ILE 65 HD13 ILE 65 2.742 -14.941 -7.932 511 2HD1 ILE 65 HD12 ILE 65 1.819 -14.333 -6.559 512 3HD1 ILE 65 HD11 ILE 65 1.777 -16.050 -6.958 513 H SER 66 HN SER 66 -0.782 -13.716 -13.013 514 HA SER 66 HA SER 66 0.586 -16.189 -13.960 515 1HB SER 66 HB2 SER 66 -1.863 -16.636 -13.599 516 2HB SER 66 HB1 SER 66 -2.219 -15.378 -14.780 517 HG SER 66 HG SER 66 -0.419 -17.440 -15.416 518 H HIS 67 HN HIS 67 -1.533 -13.728 -15.461 519 HA HIS 67 HA HIS 67 0.790 -12.959 -17.179 520 1HB HIS 67 HB2 HIS 67 -1.373 -14.343 -18.110 521 2HB HIS 67 HB1 HIS 67 -1.905 -12.679 -18.363 522 HD1 HIS 67 HD1 HIS 67 -0.505 -15.105 -20.332 523 HD2 HIS 67 HD2 HIS 67 0.822 -11.269 -19.389 524 HE1 HIS 67 HE1 HIS 67 1.119 -14.441 -22.159 525 H LYS 68 HN LYS 68 -2.242 -11.984 -15.650 526 HA LYS 68 HA LYS 68 -2.212 -9.247 -16.473 527 1HB LYS 68 HB2 LYS 68 -3.413 -10.720 -14.135 528 2HB LYS 68 HB1 LYS 68 -3.503 -8.960 -14.218 529 1HG LYS 68 HG2 LYS 68 -4.489 -10.881 -16.350 530 2HG LYS 68 HG1 LYS 68 -5.507 -9.981 -15.225 531 1HD LYS 68 HD2 LYS 68 -3.770 -8.092 -16.433 532 2HD LYS 68 HD1 LYS 68 -4.400 -9.105 -17.733 533 1HE LYS 68 HE2 LYS 68 -6.595 -8.619 -16.043 534 2HE LYS 68 HE1 LYS 68 -5.766 -7.070 -16.187 535 1HZ LYS 68 HZ1 LYS 68 -6.207 -8.692 -18.595 536 2HZ LYS 68 HZ3 LYS 68 -7.498 -7.794 -17.961 537 3HZ LYS 68 HZ2 LYS 68 -6.072 -7.006 -18.440 538 H ASP 69 HN ASP 69 -1.044 -7.508 -15.713 539 HA ASP 69 HA ASP 69 0.169 -7.409 -13.106 540 1HB ASP 69 HB2 ASP 69 1.579 -9.025 -14.835 541 2HB ASP 69 HB1 ASP 69 2.379 -7.467 -15.047 542 H MET 70 HN MET 70 0.624 -5.282 -12.661 543 HA MET 70 HA MET 70 0.859 -3.428 -14.998 544 1HB MET 70 HB2 MET 70 -1.141 -3.485 -12.981 545 2HB MET 70 HB1 MET 70 -0.133 -2.074 -12.661 546 1HG MET 70 HG2 MET 70 -0.715 -1.037 -14.625 547 2HG MET 70 HG1 MET 70 -0.894 -2.559 -15.497 548 1HE MET 70 HE2 MET 70 -2.404 -3.951 -15.587 549 2HE MET 70 HE1 MET 70 -3.811 -4.185 -14.554 550 3HE MET 70 HE3 MET 70 -3.952 -3.246 -16.047 551 H CYS 71 HN CYS 71 1.144 -2.760 -11.515 552 HA CYS 71 HA CYS 71 4.071 -2.405 -11.867 553 1HB CYS 71 HB2 CYS 71 2.291 -0.251 -11.881 554 2HB CYS 71 HB1 CYS 71 2.924 -0.267 -10.230 555 1H CYS 72 HN3 CYS 72 3.503 4.418 -11.513 556 2H CYS 72 HN2 CYS 72 2.173 3.373 -11.682 557 3H CYS 72 HN1 CYS 72 1.977 4.889 -10.941 558 HA CYS 72 HA CYS 72 2.014 3.237 -9.231 559 1HB CYS 72 HB2 CYS 72 4.532 2.209 -9.161 560 2HB CYS 72 HB1 CYS 72 3.105 1.356 -9.725 561 H LEU 73 HN LEU 73 5.168 4.535 -10.310 562 HA LEU 73 HA LEU 73 5.937 5.300 -7.667 563 1HB LEU 73 HB2 LEU 73 7.037 6.716 -10.075 564 2HB LEU 73 HB1 LEU 73 7.879 6.158 -8.629 565 HG LEU 73 HG LEU 73 6.814 3.828 -9.753 566 1HD1 LEU 73 HD13 LEU 73 7.317 5.862 -11.804 567 2HD1 LEU 73 HD12 LEU 73 8.241 4.382 -12.062 568 3HD1 LEU 73 HD11 LEU 73 6.483 4.314 -11.939 569 1HD2 LEU 73 HD23 LEU 73 9.401 5.055 -9.204 570 2HD2 LEU 73 HD22 LEU 73 8.916 3.365 -9.064 571 3HD2 LEU 73 HD21 LEU 73 9.468 3.999 -10.614 572 H GLY 74 HN GLY 74 6.680 7.871 -7.535 573 1HA GLY 74 HA2 GLY 74 4.360 9.534 -8.383 574 2HA GLY 74 HA1 GLY 74 4.773 9.476 -6.670 575 1HN DAR 75 HN ARG 75 7.315 9.318 -9.054 576 HA DAR 75 HA ARG 75 9.183 10.749 -9.275 577 1HB DAR 75 HB1 ARG 75 8.416 11.265 -6.738 578 2HB DAR 75 HB2 ARG 75 8.053 12.829 -7.470 579 1HG DAR 75 HG1 ARG 75 10.294 13.178 -8.114 580 2HG DAR 75 HG2 ARG 75 10.698 11.467 -7.966 581 1HD DAR 75 HD1 ARG 75 11.318 11.769 -5.823 582 2HD DAR 75 HD2 ARG 75 9.725 12.417 -5.441 583 HNE DAR 75 HE ARG 75 10.763 14.485 -5.255 584 1HH1 DAR 75 HH11 ARG 75 11.952 16.218 -6.032 585 2HH1 DAR 75 HH12 ARG 75 13.043 15.987 -7.357 586 1HH2 DAR 75 HH21 ARG 75 12.366 12.609 -7.689 587 2HH2 DAR 75 HH22 ARG 75 13.267 13.954 -8.295 No H/Q in entry = 587 Start of MODEL 11 1 1H MET 1 HN2 MET 1 16.437 -3.587 -1.410 2 2H MET 1 HN1 MET 1 15.681 -3.134 -2.863 3 3H MET 1 HN3 MET 1 14.775 -3.863 -1.629 4 HA MET 1 HA MET 1 15.158 -5.520 -3.262 5 1HB MET 1 HB2 MET 1 17.569 -6.089 -3.823 6 2HB MET 1 HB1 MET 1 17.000 -4.547 -4.463 7 1HG MET 1 HG2 MET 1 17.987 -3.420 -2.445 8 2HG MET 1 HG1 MET 1 18.681 -4.972 -1.977 9 1HE MET 1 HE2 MET 1 18.764 -1.953 -3.432 10 2HE MET 1 HE1 MET 1 20.473 -1.797 -3.834 11 3HE MET 1 HE3 MET 1 19.280 -2.053 -5.114 12 H LEU 2 HN LEU 2 14.352 -6.150 -0.982 13 HA LEU 2 HA LEU 2 16.473 -7.523 0.591 14 1HB LEU 2 HB2 LEU 2 13.579 -6.882 1.231 15 2HB LEU 2 HB1 LEU 2 14.656 -7.778 2.304 16 HG LEU 2 HG LEU 2 14.716 -5.480 3.013 17 1HD1 LEU 2 HD13 LEU 2 16.955 -6.889 2.297 18 2HD1 LEU 2 HD12 LEU 2 17.194 -5.380 1.414 19 3HD1 LEU 2 HD11 LEU 2 16.982 -5.353 3.165 20 1HD2 LEU 2 HD22 LEU 2 14.067 -4.883 0.422 21 2HD2 LEU 2 HD21 LEU 2 14.610 -3.691 1.603 22 3HD2 LEU 2 HD23 LEU 2 15.762 -4.399 0.468 23 H GLN 3 HN GLN 3 13.124 -8.562 0.556 24 HA GLN 3 HA GLN 3 13.488 -10.734 -1.318 25 1HB GLN 3 HB2 GLN 3 14.659 -11.179 1.165 26 2HB GLN 3 HB1 GLN 3 13.092 -11.978 1.299 27 1HG GLN 3 HG2 GLN 3 13.575 -13.512 -0.347 28 2HG GLN 3 HG1 GLN 3 14.624 -12.398 -1.225 29 1HE2 GLN 3 HE22 GLN 3 16.224 -14.907 1.526 30 2HE2 GLN 3 HE21 GLN 3 14.564 -14.924 1.170 31 H LYS 4 HN LYS 4 11.442 -9.344 -1.684 32 HA LYS 4 HA LYS 4 9.168 -10.756 -0.391 33 1HB LYS 4 HB2 LYS 4 9.119 -7.762 -0.770 34 2HB LYS 4 HB1 LYS 4 8.024 -8.760 0.188 35 1HG LYS 4 HG2 LYS 4 10.343 -9.391 1.402 36 2HG LYS 4 HG1 LYS 4 10.750 -7.767 0.849 37 1HD LYS 4 HD2 LYS 4 9.779 -7.354 2.943 38 2HD LYS 4 HD1 LYS 4 8.421 -7.114 1.841 39 1HE LYS 4 HE2 LYS 4 7.282 -8.787 2.823 40 2HE LYS 4 HE1 LYS 4 8.611 -9.906 2.519 41 1HZ LYS 4 HZ3 LYS 4 9.685 -8.712 4.521 42 2HZ LYS 4 HZ2 LYS 4 8.097 -8.233 4.887 43 3HZ LYS 4 HZ1 LYS 4 8.492 -9.883 4.803 44 H LYS 5 HN LYS 5 7.048 -9.785 -1.609 45 HA LYS 5 HA LYS 5 7.654 -10.153 -4.496 46 1HB LYS 5 HB2 LYS 5 5.375 -10.773 -2.728 47 2HB LYS 5 HB1 LYS 5 4.916 -10.119 -4.301 48 1HG LYS 5 HG2 LYS 5 5.712 -11.936 -5.444 49 2HG LYS 5 HG1 LYS 5 7.041 -12.196 -4.314 50 1HD LYS 5 HD2 LYS 5 4.247 -12.649 -3.342 51 2HD LYS 5 HD1 LYS 5 4.977 -13.867 -4.389 52 1HE LYS 5 HE2 LYS 5 6.771 -14.247 -2.874 53 2HE LYS 5 HE1 LYS 5 6.408 -12.784 -1.959 54 1HZ LYS 5 HZ1 LYS 5 4.161 -13.908 -1.544 55 2HZ LYS 5 HZ3 LYS 5 4.937 -15.341 -2.015 56 3HZ LYS 5 HZ2 LYS 5 5.509 -14.467 -0.674 57 H ILE 6 HN ILE 6 4.765 -8.503 -3.390 58 HA ILE 6 HA ILE 6 5.516 -6.186 -5.048 59 HB ILE 6 HB ILE 6 3.000 -7.239 -3.830 60 1HG1 ILE 6 HG12 ILE 6 3.813 -7.500 -6.256 61 2HG1 ILE 6 HG11 ILE 6 2.160 -6.930 -6.035 62 1HG2 ILE 6 HG22 ILE 6 3.135 -4.907 -2.951 63 2HG2 ILE 6 HG21 ILE 6 3.322 -4.320 -4.604 64 3HG2 ILE 6 HG23 ILE 6 1.823 -5.112 -4.114 65 1HD1 ILE 6 HD11 ILE 6 4.479 -5.016 -6.352 66 2HD1 ILE 6 HD13 ILE 6 3.592 -5.649 -7.740 67 3HD1 ILE 6 HD12 ILE 6 2.757 -4.678 -6.527 68 H GLU 7 HN GLU 7 6.099 -7.087 -1.908 69 HA GLU 7 HA GLU 7 5.463 -4.757 -0.405 70 1HB GLU 7 HB2 GLU 7 7.792 -6.666 -0.070 71 2HB GLU 7 HB1 GLU 7 7.199 -5.548 1.151 72 1HG GLU 7 HG2 GLU 7 5.008 -7.112 0.115 73 2HG GLU 7 HG1 GLU 7 6.296 -8.178 0.676 74 H GLU 8 HN GLU 8 8.801 -5.628 -1.381 75 HA GLU 8 HA GLU 8 9.679 -2.890 -1.226 76 1HB GLU 8 HB2 GLU 8 11.735 -3.697 -2.328 77 2HB GLU 8 HB1 GLU 8 11.243 -4.825 -1.065 78 1HG GLU 8 HG2 GLU 8 10.258 -6.320 -2.694 79 2HG GLU 8 HG1 GLU 8 10.520 -5.152 -3.990 80 H ILE 9 HN ILE 9 8.150 -4.777 -3.758 81 HA ILE 9 HA ILE 9 8.867 -3.155 -5.997 82 HB ILE 9 HB ILE 9 6.216 -4.509 -5.375 83 1HG1 ILE 9 HG12 ILE 9 8.348 -5.925 -5.522 84 2HG1 ILE 9 HG11 ILE 9 7.047 -6.370 -6.628 85 1HG2 ILE 9 HG22 ILE 9 7.334 -3.414 -7.973 86 2HG2 ILE 9 HG21 ILE 9 5.856 -4.365 -7.831 87 3HG2 ILE 9 HG23 ILE 9 5.954 -2.771 -7.082 88 1HD1 ILE 9 HD13 ILE 9 8.128 -5.050 -8.420 89 2HD1 ILE 9 HD12 ILE 9 9.437 -4.633 -7.314 90 3HD1 ILE 9 HD11 ILE 9 9.204 -6.308 -7.813 91 H ALA 10 HN ALA 10 6.574 -2.837 -3.374 92 HA ALA 10 HA ALA 10 5.474 -0.286 -4.300 93 1HB ALA 10 HB2 ALA 10 5.286 -1.823 -1.688 94 2HB ALA 10 HB1 ALA 10 4.497 -0.266 -1.949 95 3HB ALA 10 HB3 ALA 10 4.037 -1.663 -2.923 96 H ALA 11 HN ALA 11 8.062 -1.486 -2.315 97 HA ALA 11 HA ALA 11 8.696 0.816 -0.805 98 1HB ALA 11 HB2 ALA 11 10.492 -1.343 -1.906 99 2HB ALA 11 HB1 ALA 11 11.023 -0.114 -0.760 100 3HB ALA 11 HB3 ALA 11 9.777 -1.272 -0.295 101 H LYS 12 HN LYS 12 9.452 -0.065 -4.133 102 HA LYS 12 HA LYS 12 11.371 2.062 -4.563 103 1HB LYS 12 HB2 LYS 12 9.992 0.020 -6.230 104 2HB LYS 12 HB1 LYS 12 10.598 1.450 -7.065 105 1HG LYS 12 HG2 LYS 12 12.585 0.357 -7.100 106 2HG LYS 12 HG1 LYS 12 12.700 0.817 -5.401 107 1HD LYS 12 HD2 LYS 12 13.029 -1.506 -5.323 108 2HD LYS 12 HD1 LYS 12 11.308 -1.347 -4.969 109 1HE LYS 12 HE2 LYS 12 11.282 -2.990 -6.623 110 2HE LYS 12 HE1 LYS 12 11.048 -1.529 -7.582 111 1HZ LYS 12 HZ1 LYS 12 13.810 -2.099 -7.123 112 2HZ LYS 12 HZ3 LYS 12 13.027 -3.375 -7.920 113 3HZ LYS 12 HZ2 LYS 12 12.994 -1.812 -8.585 114 H TYR 13 HN TYR 13 8.002 2.104 -4.260 115 HA TYR 13 HA TYR 13 7.411 4.152 -6.221 116 1HB TYR 13 HB2 TYR 13 5.943 3.154 -3.756 117 2HB TYR 13 HB1 TYR 13 5.330 4.487 -4.721 118 HD1 TYR 13 HD1 TYR 13 7.011 1.293 -5.581 119 HD2 TYR 13 HD2 TYR 13 3.495 3.732 -6.110 120 HE1 TYR 13 HE1 TYR 13 6.124 -0.336 -7.211 121 HE2 TYR 13 HE2 TYR 13 2.653 2.121 -7.746 122 HH TYR 13 HH TYR 13 3.284 -0.748 -8.011 123 H LYS 14 HN LYS 14 9.013 5.694 -5.964 124 HA LYS 14 HA LYS 14 10.457 7.067 -4.477 125 1HB LYS 14 HB2 LYS 14 8.402 8.097 -6.129 126 2HB LYS 14 HB1 LYS 14 8.461 9.107 -4.685 127 1HG LYS 14 HG2 LYS 14 10.024 10.002 -6.312 128 2HG LYS 14 HG1 LYS 14 10.942 9.294 -4.983 129 1HD LYS 14 HD2 LYS 14 10.993 7.142 -6.401 130 2HD LYS 14 HD1 LYS 14 10.477 8.165 -7.743 131 1HE LYS 14 HE2 LYS 14 12.558 9.598 -6.554 132 2HE LYS 14 HE1 LYS 14 13.112 7.923 -6.523 133 1HZ LYS 14 HZ2 LYS 14 12.408 7.820 -8.918 134 2HZ LYS 14 HZ1 LYS 14 12.246 9.510 -8.869 135 3HZ LYS 14 HZ3 LYS 14 13.760 8.796 -8.592 136 H HIS 15 HN HIS 15 10.733 6.885 -2.319 137 HA HIS 15 HA HIS 15 8.840 6.606 -0.308 138 1HB HIS 15 HB2 HIS 15 10.527 7.588 1.232 139 2HB HIS 15 HB1 HIS 15 11.245 6.423 0.120 140 HD1 HIS 15 HD1 HIS 15 12.810 8.839 1.465 141 HD2 HIS 15 HD2 HIS 15 11.293 8.791 -2.417 142 HE1 HIS 15 HE1 HIS 15 14.153 10.532 0.149 143 H SER 16 HN SER 16 9.582 9.488 -2.123 144 HA SER 16 HA SER 16 8.817 11.584 -0.497 145 1HB SER 16 HB2 SER 16 8.268 11.005 -3.390 146 2HB SER 16 HB1 SER 16 7.555 12.432 -2.645 147 HG SER 16 HG SER 16 9.840 12.757 -1.854 148 H VAL 17 HN VAL 17 6.336 10.258 -2.673 149 HA VAL 17 HA VAL 17 4.485 10.062 -0.343 150 HB VAL 17 HB VAL 17 4.042 11.602 -2.912 151 1HG1 VAL 17 HG13 VAL 17 2.062 10.367 -1.008 152 2HG1 VAL 17 HG12 VAL 17 1.665 11.856 -1.866 153 3HG1 VAL 17 HG11 VAL 17 2.035 10.388 -2.772 154 1HG2 VAL 17 HG23 VAL 17 4.463 12.219 -0.078 155 2HG2 VAL 17 HG22 VAL 17 4.596 13.273 -1.485 156 3HG2 VAL 17 HG21 VAL 17 3.023 12.995 -0.737 157 H VAL 18 HN VAL 18 4.949 9.467 -3.809 158 HA VAL 18 HA VAL 18 3.022 7.565 -4.377 159 HB VAL 18 HB VAL 18 4.686 8.338 -6.003 160 1HG1 VAL 18 HG12 VAL 18 6.486 7.017 -4.036 161 2HG1 VAL 18 HG11 VAL 18 6.961 6.984 -5.730 162 3HG1 VAL 18 HG13 VAL 18 6.712 8.525 -4.911 163 1HG2 VAL 18 HG21 VAL 18 4.000 5.545 -5.558 164 2HG2 VAL 18 HG23 VAL 18 4.100 6.435 -7.076 165 3HG2 VAL 18 HG22 VAL 18 5.546 5.694 -6.391 166 H LYS 19 HN LYS 19 5.730 7.211 -2.188 167 HA LYS 19 HA LYS 19 5.809 4.337 -2.166 168 1HB LYS 19 HB2 LYS 19 7.710 5.310 -1.225 169 2HB LYS 19 HB1 LYS 19 6.782 6.522 -0.356 170 1HG LYS 19 HG2 LYS 19 6.765 5.212 1.486 171 2HG LYS 19 HG1 LYS 19 6.030 3.894 0.578 172 1HD LYS 19 HD2 LYS 19 7.987 2.792 0.369 173 2HD LYS 19 HD1 LYS 19 8.867 4.261 -0.050 174 1HE LYS 19 HE2 LYS 19 9.059 4.887 2.279 175 2HE LYS 19 HE1 LYS 19 7.994 3.568 2.767 176 1HZ LYS 19 HZ2 LYS 19 9.663 2.029 1.770 177 2HZ LYS 19 HZ1 LYS 19 10.711 3.356 1.600 178 3HZ LYS 19 HZ3 LYS 19 10.209 2.867 3.144 179 H LYS 20 HN LYS 20 4.976 6.021 0.824 180 HA LYS 20 HA LYS 20 3.320 4.144 1.942 181 1HB LYS 20 HB2 LYS 20 2.820 7.138 1.972 182 2HB LYS 20 HB1 LYS 20 2.139 5.980 3.116 183 1HG LYS 20 HG2 LYS 20 4.284 5.449 4.011 184 2HG LYS 20 HG1 LYS 20 5.118 6.256 2.682 185 1HD LYS 20 HD2 LYS 20 3.253 8.019 4.101 186 2HD LYS 20 HD1 LYS 20 4.540 7.401 5.136 187 1HE LYS 20 HE2 LYS 20 6.183 8.512 3.990 188 2HE LYS 20 HE1 LYS 20 5.365 8.332 2.438 189 1HZ LYS 20 HZ3 LYS 20 4.033 10.011 4.397 190 2HZ LYS 20 HZ2 LYS 20 5.487 10.624 3.769 191 3HZ LYS 20 HZ1 LYS 20 4.208 10.224 2.724 192 H CYS 21 HN CYS 21 2.524 6.220 -0.745 193 HA CYS 21 HA CYS 21 -0.341 5.878 -0.791 194 1HB CYS 21 HB2 CYS 21 1.630 6.248 -3.041 195 2HB CYS 21 HB1 CYS 21 -0.117 6.389 -3.120 196 H CYS 22 HN CYS 22 2.168 4.303 -2.805 197 HA CYS 22 HA CYS 22 0.436 2.409 -3.940 198 1HB CYS 22 HB2 CYS 22 2.335 2.468 -5.089 199 2HB CYS 22 HB1 CYS 22 3.358 2.708 -3.681 200 H TYR 23 HN TYR 23 2.365 2.354 -0.975 201 HA TYR 23 HA TYR 23 1.791 -0.341 -0.206 202 1HB TYR 23 HB2 TYR 23 2.421 2.172 1.359 203 2HB TYR 23 HB1 TYR 23 2.051 0.653 2.177 204 HD1 TYR 23 HD2 TYR 23 4.305 2.200 -0.346 205 HD2 TYR 23 HD1 TYR 23 3.694 -1.043 2.393 206 HE1 TYR 23 HE2 TYR 23 6.641 1.461 -0.708 207 HE2 TYR 23 HE1 TYR 23 6.031 -1.791 2.029 208 HH TYR 23 HH TYR 23 8.338 -0.226 1.112 209 H ASP 24 HN ASP 24 0.093 2.704 -0.020 210 HA ASP 24 HA ASP 24 -2.082 1.850 1.655 211 1HB ASP 24 HB2 ASP 24 -1.582 4.181 -0.217 212 2HB ASP 24 HB1 ASP 24 -3.240 3.835 0.307 213 H GLY 25 HN GLY 25 -1.399 1.650 -1.764 214 1HA GLY 25 HA2 GLY 25 -4.059 0.943 -2.619 215 2HA GLY 25 HA1 GLY 25 -2.570 0.686 -3.529 216 H ALA 26 HN ALA 26 -1.110 -1.075 -2.213 217 HA ALA 26 HA ALA 26 -2.724 -3.515 -2.375 218 1HB ALA 26 HB3 ALA 26 0.216 -3.069 -1.806 219 2HB ALA 26 HB2 ALA 26 -0.532 -4.655 -1.991 220 3HB ALA 26 HB1 ALA 26 -0.503 -3.530 -3.348 221 H SER 27 HN SER 27 -1.972 -1.398 0.189 222 HA SER 27 HA SER 27 -2.055 -3.586 2.176 223 1HB SER 27 HB2 SER 27 -1.594 -0.662 2.584 224 2HB SER 27 HB1 SER 27 -1.424 -1.908 3.794 225 HG SER 27 HG SER 27 0.539 -2.093 3.087 226 H VAL 28 HN VAL 28 -3.660 -0.481 1.501 227 HA VAL 28 HA VAL 28 -5.626 -0.516 3.461 228 HB VAL 28 HB VAL 28 -5.891 0.270 0.547 229 1HG1 VAL 28 HG12 VAL 28 -7.714 0.639 2.924 230 2HG1 VAL 28 HG11 VAL 28 -7.784 1.699 1.518 231 3HG1 VAL 28 HG13 VAL 28 -8.109 -0.022 1.338 232 1HG2 VAL 28 HG23 VAL 28 -4.179 1.442 2.012 233 2HG2 VAL 28 HG22 VAL 28 -5.422 2.500 1.342 234 3HG2 VAL 28 HG21 VAL 28 -5.520 1.979 3.024 235 H ASN 29 HN ASN 29 -7.946 -1.224 3.318 236 HA ASN 29 HA ASN 29 -8.306 -3.951 3.042 237 1HB ASN 29 HB2 ASN 29 -10.020 -1.776 3.469 238 2HB ASN 29 HB1 ASN 29 -10.676 -2.578 2.046 239 1HD2 ASN 29 HD22 ASN 29 -12.174 -4.327 4.938 240 2HD2 ASN 29 HD21 ASN 29 -12.286 -2.793 4.223 241 H ASN 30 HN ASN 30 -9.595 -5.147 1.316 242 HA ASN 30 HA ASN 30 -8.274 -5.212 -1.136 243 1HB ASN 30 HB2 ASN 30 -10.501 -6.178 -2.030 244 2HB ASN 30 HB1 ASN 30 -9.741 -7.019 -0.679 245 1HD2 ASN 30 HD22 ASN 30 -12.638 -6.656 1.271 246 2HD2 ASN 30 HD21 ASN 30 -11.306 -7.608 0.822 247 H ASP 31 HN ASP 31 -10.689 -2.953 -0.030 248 HA ASP 31 HA ASP 31 -10.233 -1.318 -2.419 249 1HB ASP 31 HB2 ASP 31 -12.943 -2.522 -1.810 250 2HB ASP 31 HB1 ASP 31 -12.714 -1.140 -2.883 251 H GLU 32 HN GLU 32 -10.211 -1.293 0.732 252 HA GLU 32 HA GLU 32 -12.148 0.596 1.583 253 1HB GLU 32 HB2 GLU 32 -11.026 -0.242 3.399 254 2HB GLU 32 HB1 GLU 32 -9.469 -0.231 2.585 255 1HG GLU 32 HG2 GLU 32 -9.017 1.931 3.215 256 2HG GLU 32 HG1 GLU 32 -10.702 2.429 3.060 257 H THR 33 HN THR 33 -8.975 1.021 0.073 258 HA THR 33 HA THR 33 -9.738 3.843 -0.533 259 HB THR 33 HB THR 33 -6.925 2.910 0.083 260 HG1 THR 33 HG1 THR 33 -7.451 4.445 1.936 261 1HG2 THR 33 HG23 THR 33 -8.194 5.447 -0.802 262 2HG2 THR 33 HG22 THR 33 -6.891 5.573 0.380 263 3HG2 THR 33 HG21 THR 33 -6.598 4.797 -1.176 264 H CYS 34 HN CYS 34 -7.994 0.917 -1.487 265 HA CYS 34 HA CYS 34 -6.743 1.508 -3.874 266 1HB CYS 34 HB2 CYS 34 -7.250 -0.792 -2.868 267 2HB CYS 34 HB1 CYS 34 -8.813 -0.697 -3.678 268 H GLU 35 HN GLU 35 -10.216 1.432 -3.273 269 HA GLU 35 HA GLU 35 -10.811 2.160 -6.081 270 1HB GLU 35 HB2 GLU 35 -12.225 0.483 -4.933 271 2HB GLU 35 HB1 GLU 35 -12.688 1.703 -3.745 272 1HG GLU 35 HG2 GLU 35 -13.054 2.702 -6.446 273 2HG GLU 35 HG1 GLU 35 -13.949 1.201 -6.202 274 H GLN 36 HN GLN 36 -12.071 3.445 -2.982 275 HA GLN 36 HA GLN 36 -13.031 5.879 -3.770 276 1HB GLN 36 HB2 GLN 36 -12.072 4.794 -1.323 277 2HB GLN 36 HB1 GLN 36 -11.383 6.409 -1.478 278 1HG GLN 36 HG2 GLN 36 -13.710 7.238 -2.045 279 2HG GLN 36 HG1 GLN 36 -14.307 5.642 -1.589 280 1HE2 GLN 36 HE22 GLN 36 -12.439 7.638 1.480 281 2HE2 GLN 36 HE21 GLN 36 -11.683 7.552 -0.037 282 H ARG 37 HN ARG 37 -9.672 4.969 -3.675 283 HA ARG 37 HA ARG 37 -8.839 7.712 -4.403 284 1HB ARG 37 HB2 ARG 37 -7.417 5.277 -3.374 285 2HB ARG 37 HB1 ARG 37 -6.504 6.549 -4.180 286 1HG ARG 37 HG2 ARG 37 -8.372 6.996 -1.832 287 2HG ARG 37 HG1 ARG 37 -6.621 6.841 -1.693 288 1HD ARG 37 HD2 ARG 37 -6.539 9.076 -2.005 289 2HD ARG 37 HD1 ARG 37 -6.943 8.747 -3.688 290 HE ARG 37 HE ARG 37 -9.406 8.806 -2.439 291 1HH1 ARG 37 HH21 ARG 37 -6.644 10.877 -2.577 292 2HH1 ARG 37 HH22 ARG 37 -7.567 12.332 -2.404 293 1HH2 ARG 37 HH12 ARG 37 -10.617 10.699 -2.212 294 2HH2 ARG 37 HH11 ARG 37 -9.812 12.232 -2.198 295 H ALA 38 HN ALA 38 -8.630 4.323 -5.654 296 HA ALA 38 HA ALA 38 -7.378 5.318 -8.124 297 1HB ALA 38 HB1 ALA 38 -7.015 3.000 -7.038 298 2HB ALA 38 HB3 ALA 38 -8.561 2.569 -7.768 299 3HB ALA 38 HB2 ALA 38 -7.211 3.062 -8.790 300 H ALA 39 HN ALA 39 -10.333 5.870 -7.118 301 HA ALA 39 HA ALA 39 -11.460 5.717 -9.857 302 1HB ALA 39 HB3 ALA 39 -12.193 3.687 -8.480 303 2HB ALA 39 HB2 ALA 39 -13.075 4.824 -7.460 304 3HB ALA 39 HB1 ALA 39 -13.491 4.664 -9.167 305 H ARG 40 HN ARG 40 -12.277 6.665 -6.499 306 HA ARG 40 HA ARG 40 -13.756 9.004 -7.484 307 1HB ARG 40 HB2 ARG 40 -14.050 7.469 -5.269 308 2HB ARG 40 HB1 ARG 40 -13.074 8.778 -4.603 309 1HG ARG 40 HG2 ARG 40 -15.666 9.117 -6.140 310 2HG ARG 40 HG1 ARG 40 -15.474 9.292 -4.395 311 1HD ARG 40 HD2 ARG 40 -13.490 10.939 -5.420 312 2HD ARG 40 HD1 ARG 40 -14.836 11.186 -6.532 313 HE ARG 40 HE ARG 40 -16.008 11.358 -4.027 314 1HH1 ARG 40 HH21 ARG 40 -13.339 12.834 -5.648 315 2HH1 ARG 40 HH22 ARG 40 -13.477 14.329 -4.785 316 1HH2 ARG 40 HH12 ARG 40 -16.197 13.305 -2.897 317 2HH2 ARG 40 HH11 ARG 40 -15.091 14.596 -3.231 318 H ILE 41 HN ILE 41 -11.668 9.784 -8.581 319 HA ILE 41 HA ILE 41 -9.899 11.186 -6.623 320 HB ILE 41 HB ILE 41 -9.445 10.520 -9.547 321 1HG1 ILE 41 HG12 ILE 41 -7.534 9.450 -7.671 322 2HG1 ILE 41 HG11 ILE 41 -9.162 8.965 -7.200 323 1HG2 ILE 41 HG21 ILE 41 -8.413 12.673 -8.645 324 2HG2 ILE 41 HG23 ILE 41 -7.470 11.651 -7.560 325 3HG2 ILE 41 HG22 ILE 41 -7.281 11.493 -9.307 326 1HD1 ILE 41 HD11 ILE 41 -9.158 8.655 -9.968 327 2HD1 ILE 41 HD13 ILE 41 -7.560 8.089 -9.479 328 3HD1 ILE 41 HD12 ILE 41 -9.006 7.360 -8.782 329 H SER 42 HN SER 42 -9.779 13.414 -6.668 330 HA SER 42 HA SER 42 -11.770 14.816 -8.337 331 1HB SER 42 HB2 SER 42 -9.913 15.754 -6.130 332 2HB SER 42 HB1 SER 42 -11.008 16.822 -7.002 333 HG SER 42 HG SER 42 -12.387 16.183 -5.545 334 H LEU 43 HN LEU 43 -8.292 15.277 -7.599 335 HA LEU 43 HA LEU 43 -7.954 16.199 -10.425 336 1HB LEU 43 HB2 LEU 43 -5.972 17.540 -9.348 337 2HB LEU 43 HB1 LEU 43 -7.612 18.179 -9.228 338 HG LEU 43 HG LEU 43 -7.814 17.016 -6.999 339 1HD1 LEU 43 HD13 LEU 43 -5.171 16.083 -7.847 340 2HD1 LEU 43 HD12 LEU 43 -5.156 16.781 -6.227 341 3HD1 LEU 43 HD11 LEU 43 -6.240 15.441 -6.599 342 1HD2 LEU 43 HD21 LEU 43 -5.851 19.215 -7.576 343 2HD2 LEU 43 HD23 LEU 43 -7.413 19.301 -6.761 344 3HD2 LEU 43 HD22 LEU 43 -6.017 18.627 -5.920 345 H GLY 44 HN GLY 44 -7.122 13.902 -8.113 346 1HA GLY 44 HA2 GLY 44 -5.688 12.033 -8.441 347 2HA GLY 44 HA1 GLY 44 -5.001 12.840 -9.850 348 HA PRO 45 HA PRO 45 -3.041 14.854 -5.710 349 1HB PRO 45 HB2 PRO 45 -3.055 12.532 -3.996 350 2HB PRO 45 HB1 PRO 45 -3.731 14.134 -3.683 351 1HG PRO 45 HG2 PRO 45 -5.131 11.707 -4.284 352 2HG PRO 45 HG1 PRO 45 -5.804 13.301 -3.932 353 1HD PRO 45 HD2 PRO 45 -5.861 11.958 -6.406 354 2HD PRO 45 HD1 PRO 45 -6.309 13.640 -6.105 355 H ARG 46 HN ARG 46 -2.598 11.315 -5.489 356 HA ARG 46 HA ARG 46 -0.384 11.131 -7.261 357 1HB ARG 46 HB2 ARG 46 0.413 12.675 -5.233 358 2HB ARG 46 HB1 ARG 46 0.679 11.108 -4.469 359 1HG ARG 46 HG2 ARG 46 2.487 10.681 -5.754 360 2HG ARG 46 HG1 ARG 46 1.644 11.167 -7.225 361 1HD ARG 46 HD2 ARG 46 1.977 13.588 -6.040 362 2HD ARG 46 HD1 ARG 46 3.412 12.750 -5.450 363 HE ARG 46 HE ARG 46 3.395 12.193 -8.161 364 1HH1 ARG 46 HH21 ARG 46 3.225 15.028 -6.196 365 2HH1 ARG 46 HH22 ARG 46 4.018 16.037 -7.359 366 1HH2 ARG 46 HH12 ARG 46 4.431 13.499 -9.683 367 2HH2 ARG 46 HH11 ARG 46 4.701 15.174 -9.330 368 H CYS 47 HN CYS 47 -1.521 9.994 -4.051 369 HA CYS 47 HA CYS 47 -0.475 7.371 -4.365 370 1HB CYS 47 HB2 CYS 47 -2.995 7.941 -2.795 371 2HB CYS 47 HB1 CYS 47 -1.821 6.688 -2.496 372 H ILE 48 HN ILE 48 -3.456 8.820 -5.553 373 HA ILE 48 HA ILE 48 -4.663 6.316 -6.148 374 HB ILE 48 HB ILE 48 -6.206 7.519 -7.523 375 1HG1 ILE 48 HG12 ILE 48 -4.447 8.754 -8.874 376 2HG1 ILE 48 HG11 ILE 48 -5.851 9.713 -8.438 377 1HG2 ILE 48 HG22 ILE 48 -5.247 8.782 -5.038 378 2HG2 ILE 48 HG21 ILE 48 -6.276 9.800 -6.047 379 3HG2 ILE 48 HG23 ILE 48 -6.866 8.239 -5.477 380 1HD1 ILE 48 HD12 ILE 48 -4.562 10.526 -6.418 381 2HD1 ILE 48 HD11 ILE 48 -3.133 9.763 -7.113 382 3HD1 ILE 48 HD13 ILE 48 -3.938 11.073 -7.974 383 H LYS 49 HN LYS 49 -2.713 8.457 -8.322 384 HA LYS 49 HA LYS 49 -2.716 6.599 -10.482 385 1HB LYS 49 HB2 LYS 49 -0.591 8.626 -9.726 386 2HB LYS 49 HB1 LYS 49 -0.793 7.876 -11.306 387 1HG LYS 49 HG2 LYS 49 -3.266 8.808 -11.060 388 2HG LYS 49 HG1 LYS 49 -2.479 9.951 -9.970 389 1HD LYS 49 HD2 LYS 49 -0.746 10.209 -11.921 390 2HD LYS 49 HD1 LYS 49 -2.041 9.543 -12.916 391 1HE LYS 49 HE2 LYS 49 -2.761 11.692 -13.059 392 2HE LYS 49 HE1 LYS 49 -3.389 11.422 -11.434 393 1HZ LYS 49 HZ1 LYS 49 -0.869 12.030 -10.879 394 2HZ LYS 49 HZ3 LYS 49 -1.064 12.937 -12.299 395 3HZ LYS 49 HZ2 LYS 49 -2.103 13.194 -10.977 396 H ALA 50 HN ALA 50 0.001 7.293 -8.242 397 HA ALA 50 HA ALA 50 1.628 5.094 -8.917 398 1HB ALA 50 HB2 ALA 50 2.305 6.860 -7.296 399 2HB ALA 50 HB1 ALA 50 1.162 6.191 -6.131 400 3HB ALA 50 HB3 ALA 50 2.548 5.236 -6.650 401 H PHE 51 HN PHE 51 -0.486 5.288 -6.137 402 HA PHE 51 HA PHE 51 -0.289 2.536 -5.630 403 1HB PHE 51 HB2 PHE 51 -1.175 3.144 -3.724 404 2HB PHE 51 HB1 PHE 51 -1.237 4.774 -4.292 405 HD1 PHE 51 HD1 PHE 51 -3.527 4.385 -6.304 406 HD2 PHE 51 HD2 PHE 51 -2.991 3.114 -2.264 407 HE1 PHE 51 HE1 PHE 51 -5.979 4.278 -6.012 408 HE2 PHE 51 HE2 PHE 51 -5.435 3.021 -1.964 409 HZ PHE 51 HZ PHE 51 -6.935 3.594 -3.845 410 H THR 52 HN THR 52 -2.080 4.044 -8.090 411 HA THR 52 HA THR 52 -4.339 2.160 -8.033 412 HB THR 52 HB THR 52 -3.461 4.339 -9.917 413 HG1 THR 52 HG1 THR 52 -5.463 3.813 -8.153 414 1HG2 THR 52 HG21 THR 52 -5.460 2.163 -10.600 415 2HG2 THR 52 HG23 THR 52 -5.208 3.641 -11.530 416 3HG2 THR 52 HG22 THR 52 -3.919 2.443 -11.410 417 H GLU 53 HN GLU 53 -1.357 2.650 -9.917 418 HA GLU 53 HA GLU 53 -1.777 0.156 -11.399 419 1HB GLU 53 HB2 GLU 53 -0.046 2.378 -11.614 420 2HB GLU 53 HB1 GLU 53 0.995 0.994 -11.287 421 1HG GLU 53 HG2 GLU 53 0.782 0.398 -13.449 422 2HG GLU 53 HG1 GLU 53 -0.925 0.081 -13.139 423 H CYS 54 HN CYS 54 -0.335 1.155 -8.409 424 HA CYS 54 HA CYS 54 1.163 -1.315 -7.977 425 1HB CYS 54 HB2 CYS 54 2.085 0.554 -6.930 426 2HB CYS 54 HB1 CYS 54 0.523 1.149 -6.363 427 H CYS 55 HN CYS 55 -1.988 -0.032 -7.024 428 HA CYS 55 HA CYS 55 -2.534 -2.275 -5.229 429 1HB CYS 55 HB2 CYS 55 -3.579 -0.039 -4.838 430 2HB CYS 55 HB1 CYS 55 -4.493 -0.211 -6.329 431 H VAL 56 HN VAL 56 -3.272 -1.342 -8.541 432 HA VAL 56 HA VAL 56 -5.109 -3.513 -9.047 433 HB VAL 56 HB VAL 56 -4.773 -2.975 -11.422 434 1HG1 VAL 56 HG13 VAL 56 -5.293 -0.908 -9.372 435 2HG1 VAL 56 HG12 VAL 56 -4.928 -0.286 -10.981 436 3HG1 VAL 56 HG11 VAL 56 -6.277 -1.399 -10.751 437 1HG2 VAL 56 HG22 VAL 56 -2.446 -1.388 -10.322 438 2HG2 VAL 56 HG21 VAL 56 -2.418 -2.634 -11.570 439 3HG2 VAL 56 HG23 VAL 56 -3.136 -1.060 -11.911 440 H VAL 57 HN VAL 57 -1.614 -3.009 -9.692 441 HA VAL 57 HA VAL 57 -1.165 -5.602 -10.803 442 HB VAL 57 HB VAL 57 0.593 -3.956 -10.967 443 1HG1 VAL 57 HG13 VAL 57 -0.189 -3.105 -8.516 444 2HG1 VAL 57 HG12 VAL 57 1.255 -4.014 -8.072 445 3HG1 VAL 57 HG11 VAL 57 1.368 -2.685 -9.226 446 1HG2 VAL 57 HG22 VAL 57 0.990 -6.562 -10.076 447 2HG2 VAL 57 HG21 VAL 57 2.233 -5.503 -10.743 448 3HG2 VAL 57 HG23 VAL 57 2.002 -5.601 -8.998 449 H ALA 58 HN ALA 58 -0.832 -4.451 -7.425 450 HA ALA 58 HA ALA 58 -0.071 -6.833 -6.190 451 1HB ALA 58 HB2 ALA 58 -1.791 -4.538 -5.305 452 2HB ALA 58 HB1 ALA 58 -1.601 -5.941 -4.252 453 3HB ALA 58 HB3 ALA 58 -0.187 -5.007 -4.741 454 H SER 59 HN SER 59 -3.463 -5.749 -6.506 455 HA SER 59 HA SER 59 -4.589 -8.258 -5.702 456 1HB SER 59 HB2 SER 59 -6.236 -6.798 -7.617 457 2HB SER 59 HB1 SER 59 -6.549 -7.154 -5.919 458 HG SER 59 HG SER 59 -6.163 -5.102 -5.662 459 H GLN 60 HN GLN 60 -4.788 -6.839 -8.939 460 HA GLN 60 HA GLN 60 -5.614 -8.774 -10.555 461 1HB GLN 60 HB2 GLN 60 -3.130 -7.104 -10.968 462 2HB GLN 60 HB1 GLN 60 -3.799 -8.131 -12.236 463 1HG GLN 60 HG2 GLN 60 -5.617 -6.229 -10.795 464 2HG GLN 60 HG1 GLN 60 -4.548 -5.606 -12.052 465 1HE2 GLN 60 HE22 GLN 60 -7.910 -7.420 -13.176 466 2HE2 GLN 60 HE21 GLN 60 -7.627 -6.819 -11.614 467 H LEU 61 HN LEU 61 -2.107 -8.793 -9.665 468 HA LEU 61 HA LEU 61 -1.813 -11.482 -10.697 469 1HB LEU 61 HB2 LEU 61 -0.037 -10.533 -8.505 470 2HB LEU 61 HB1 LEU 61 0.353 -11.478 -9.931 471 HG LEU 61 HG LEU 61 0.281 -8.575 -9.540 472 1HD1 LEU 61 HD11 LEU 61 2.006 -10.634 -10.565 473 2HD1 LEU 61 HD13 LEU 61 1.828 -9.347 -11.757 474 3HD1 LEU 61 HD12 LEU 61 2.402 -8.971 -10.134 475 1HD2 LEU 61 HD23 LEU 61 -1.099 -9.893 -11.807 476 2HD2 LEU 61 HD22 LEU 61 -1.259 -8.240 -11.215 477 3HD2 LEU 61 HD21 LEU 61 0.081 -8.671 -12.275 478 H ARG 62 HN ARG 62 -2.039 -10.201 -7.379 479 HA ARG 62 HA ARG 62 -1.921 -12.408 -5.821 480 1HB ARG 62 HB2 ARG 62 -3.310 -9.934 -5.622 481 2HB ARG 62 HB1 ARG 62 -4.444 -11.195 -5.138 482 1HG ARG 62 HG2 ARG 62 -2.931 -12.032 -3.469 483 2HG ARG 62 HG1 ARG 62 -1.619 -11.015 -4.069 484 1HD ARG 62 HD2 ARG 62 -3.685 -9.220 -3.555 485 2HD ARG 62 HD1 ARG 62 -3.772 -10.354 -2.209 486 HE ARG 62 HE ARG 62 -1.842 -8.304 -2.480 487 1HH1 ARG 62 HH21 ARG 62 -1.959 -11.712 -1.869 488 2HH1 ARG 62 HH22 ARG 62 -0.357 -11.769 -1.223 489 1HH2 ARG 62 HH12 ARG 62 0.228 -8.381 -1.617 490 2HH2 ARG 62 HH11 ARG 62 0.873 -9.894 -1.069 491 H ALA 63 HN ALA 63 -4.602 -11.711 -8.033 492 HA ALA 63 HA ALA 63 -6.225 -13.965 -7.308 493 1HB ALA 63 HB1 ALA 63 -6.173 -11.975 -9.406 494 2HB ALA 63 HB3 ALA 63 -6.442 -13.569 -10.112 495 3HB ALA 63 HB2 ALA 63 -7.529 -12.963 -8.863 496 H ASN 64 HN ASN 64 -3.946 -13.563 -10.041 497 HA ASN 64 HA ASN 64 -3.166 -16.424 -9.681 498 1HB ASN 64 HB2 ASN 64 -4.428 -15.165 -12.030 499 2HB ASN 64 HB1 ASN 64 -2.973 -16.091 -12.401 500 1HD2 ASN 64 HD22 ASN 64 -6.314 -18.127 -11.865 501 2HD2 ASN 64 HD21 ASN 64 -6.216 -16.501 -12.344 502 H ILE 65 HN ILE 65 -1.473 -14.729 -8.579 503 HA ILE 65 HA ILE 65 0.339 -13.294 -10.255 504 HB ILE 65 HB ILE 65 1.729 -14.581 -8.019 505 1HG1 ILE 65 HG12 ILE 65 -0.863 -13.117 -7.496 506 2HG1 ILE 65 HG11 ILE 65 -0.451 -14.753 -6.986 507 1HG2 ILE 65 HG23 ILE 65 1.870 -12.205 -9.388 508 2HG2 ILE 65 HG22 ILE 65 1.055 -11.710 -7.906 509 3HG2 ILE 65 HG21 ILE 65 2.625 -12.490 -7.823 510 1HD1 ILE 65 HD11 ILE 65 1.631 -13.177 -5.992 511 2HD1 ILE 65 HD13 ILE 65 0.181 -12.212 -5.709 512 3HD1 ILE 65 HD12 ILE 65 0.293 -13.848 -5.058 513 H SER 66 HN SER 66 1.175 -14.285 -12.044 514 HA SER 66 HA SER 66 3.229 -16.266 -11.757 515 1HB SER 66 HB2 SER 66 1.173 -17.688 -11.380 516 2HB SER 66 HB1 SER 66 0.673 -17.294 -13.022 517 HG SER 66 HG SER 66 2.350 -18.416 -13.814 518 H HIS 67 HN HIS 67 0.710 -15.807 -14.261 519 HA HIS 67 HA HIS 67 2.898 -15.132 -16.168 520 1HB HIS 67 HB2 HIS 67 0.731 -16.852 -16.405 521 2HB HIS 67 HB1 HIS 67 0.204 -15.416 -17.284 522 HD1 HIS 67 HD1 HIS 67 0.685 -15.848 -19.696 523 HD2 HIS 67 HD2 HIS 67 3.828 -17.093 -17.257 524 HE1 HIS 67 HE1 HIS 67 2.529 -16.626 -21.247 525 H LYS 68 HN LYS 68 2.585 -13.013 -14.628 526 HA LYS 68 HA LYS 68 1.687 -10.938 -16.357 527 1HB LYS 68 HB2 LYS 68 -0.285 -10.178 -14.924 528 2HB LYS 68 HB1 LYS 68 -0.572 -11.599 -15.929 529 1HG LYS 68 HG2 LYS 68 0.346 -12.837 -13.729 530 2HG LYS 68 HG1 LYS 68 -0.319 -11.391 -12.967 531 1HD LYS 68 HD2 LYS 68 -1.959 -12.858 -15.009 532 2HD LYS 68 HD1 LYS 68 -1.867 -13.486 -13.363 533 1HE LYS 68 HE2 LYS 68 -3.794 -11.956 -13.633 534 2HE LYS 68 HE1 LYS 68 -2.624 -11.317 -12.480 535 1HZ LYS 68 HZ1 LYS 68 -2.297 -10.582 -15.288 536 2HZ LYS 68 HZ3 LYS 68 -3.579 -9.864 -14.440 537 3HZ LYS 68 HZ2 LYS 68 -1.985 -9.676 -13.884 538 H ASP 69 HN ASP 69 2.794 -9.157 -15.705 539 HA ASP 69 HA ASP 69 3.246 -8.714 -12.805 540 1HB ASP 69 HB2 ASP 69 5.231 -9.947 -13.580 541 2HB ASP 69 HB1 ASP 69 5.461 -8.774 -14.878 542 H MET 70 HN MET 70 2.442 -6.689 -12.511 543 HA MET 70 HA MET 70 2.949 -4.675 -14.663 544 1HB MET 70 HB2 MET 70 0.521 -5.479 -13.458 545 2HB MET 70 HB1 MET 70 0.878 -3.875 -12.818 546 1HG MET 70 HG2 MET 70 -0.003 -3.093 -14.753 547 2HG MET 70 HG1 MET 70 1.514 -3.605 -15.493 548 1HE MET 70 HE1 MET 70 -1.810 -3.459 -15.284 549 2HE MET 70 HE3 MET 70 -2.150 -4.067 -16.910 550 3HE MET 70 HE2 MET 70 -2.607 -5.017 -15.498 551 H CYS 71 HN CYS 71 2.099 -2.472 -13.000 552 HA CYS 71 HA CYS 71 4.499 -1.577 -11.909 553 1HB CYS 71 HB2 CYS 71 1.624 -0.906 -11.443 554 2HB CYS 71 HB1 CYS 71 2.813 -0.225 -10.327 555 1H CYS 72 HN3 CYS 72 3.675 4.062 -12.050 556 2H CYS 72 HN2 CYS 72 2.332 3.022 -12.009 557 3H CYS 72 HN1 CYS 72 2.163 4.651 -11.557 558 HA CYS 72 HA CYS 72 2.206 3.411 -9.559 559 1HB CYS 72 HB2 CYS 72 4.599 2.173 -9.314 560 2HB CYS 72 HB1 CYS 72 3.109 1.368 -9.773 561 H LEU 73 HN LEU 73 5.630 3.608 -10.314 562 HA LEU 73 HA LEU 73 6.490 5.061 -8.176 563 1HB LEU 73 HB2 LEU 73 8.087 4.232 -9.761 564 2HB LEU 73 HB1 LEU 73 7.413 5.216 -11.054 565 HG LEU 73 HG LEU 73 9.602 6.026 -9.977 566 1HD1 LEU 73 HD13 LEU 73 7.618 7.358 -11.235 567 2HD1 LEU 73 HD12 LEU 73 7.610 8.207 -9.690 568 3HD1 LEU 73 HD11 LEU 73 9.085 8.145 -10.654 569 1HD2 LEU 73 HD21 LEU 73 8.053 5.774 -7.642 570 2HD2 LEU 73 HD23 LEU 73 9.653 6.499 -7.780 571 3HD2 LEU 73 HD22 LEU 73 8.216 7.507 -7.912 572 H GLY 74 HN GLY 74 6.444 7.202 -7.487 573 1HA GLY 74 HA2 GLY 74 5.218 9.215 -9.319 574 2HA GLY 74 HA1 GLY 74 4.602 9.034 -7.679 575 1HN DAR 75 HN ARG 75 5.347 11.457 -7.860 576 HA DAR 75 HA ARG 75 6.903 13.122 -7.269 577 1HB DAR 75 HB1 ARG 75 8.346 11.835 -8.974 578 2HB DAR 75 HB2 ARG 75 9.080 11.049 -7.578 579 1HG DAR 75 HG1 ARG 75 8.861 14.010 -7.454 580 2HG DAR 75 HG2 ARG 75 10.014 13.363 -8.621 581 1HD DAR 75 HD1 ARG 75 10.369 11.836 -6.276 582 2HD DAR 75 HD2 ARG 75 10.222 13.507 -5.740 583 HNE DAR 75 HE ARG 75 12.402 13.792 -6.489 584 1HH1 DAR 75 HH11 ARG 75 14.010 13.793 -8.052 585 2HH1 DAR 75 HH12 ARG 75 13.838 12.801 -9.461 586 1HH2 DAR 75 HH21 ARG 75 10.784 11.489 -8.512 587 2HH2 DAR 75 HH22 ARG 75 12.015 11.515 -9.724 No H/Q in entry = 587 Start of MODEL 12 1 1H MET 1 HN3 MET 1 13.852 -17.544 -1.065 2 2H MET 1 HN2 MET 1 14.292 -18.714 -2.216 3 3H MET 1 HN1 MET 1 15.479 -17.992 -1.237 4 HA MET 1 HA MET 1 15.648 -16.978 -3.354 5 1HB MET 1 HB2 MET 1 12.814 -17.429 -3.341 6 2HB MET 1 HB1 MET 1 13.112 -15.714 -3.630 7 1HG MET 1 HG2 MET 1 14.938 -17.466 -5.114 8 2HG MET 1 HG1 MET 1 13.245 -17.698 -5.551 9 1HE MET 1 HE1 MET 1 13.678 -17.252 -7.658 10 2HE MET 1 HE3 MET 1 12.403 -16.031 -7.777 11 3HE MET 1 HE2 MET 1 13.996 -15.716 -8.459 12 H LEU 2 HN LEU 2 15.447 -14.509 -3.754 13 HA LEU 2 HA LEU 2 15.049 -13.057 -1.177 14 1HB LEU 2 HB2 LEU 2 17.456 -12.878 -3.014 15 2HB LEU 2 HB1 LEU 2 17.126 -11.739 -1.707 16 HG LEU 2 HG LEU 2 16.943 -14.524 -0.831 17 1HD1 LEU 2 HD11 LEU 2 18.967 -14.056 -2.689 18 2HD1 LEU 2 HD13 LEU 2 19.770 -13.851 -1.132 19 3HD1 LEU 2 HD12 LEU 2 18.933 -15.359 -1.501 20 1HD2 LEU 2 HD21 LEU 2 17.353 -12.066 0.302 21 2HD2 LEU 2 HD23 LEU 2 17.730 -13.594 1.098 22 3HD2 LEU 2 HD22 LEU 2 18.998 -12.699 0.260 23 H GLN 3 HN GLN 3 13.009 -12.690 -2.615 24 HA GLN 3 HA GLN 3 13.347 -10.061 -3.900 25 1HB GLN 3 HB2 GLN 3 13.521 -12.177 -5.572 26 2HB GLN 3 HB1 GLN 3 11.767 -11.987 -5.525 27 1HG GLN 3 HG2 GLN 3 12.357 -9.429 -5.871 28 2HG GLN 3 HG1 GLN 3 13.851 -10.087 -6.537 29 1HE2 GLN 3 HE22 GLN 3 11.031 -9.867 -9.135 30 2HE2 GLN 3 HE21 GLN 3 11.520 -8.749 -7.957 31 H LYS 4 HN LYS 4 11.912 -9.083 -2.489 32 HA LYS 4 HA LYS 4 9.502 -10.322 -1.532 33 1HB LYS 4 HB2 LYS 4 10.777 -7.670 -1.375 34 2HB LYS 4 HB1 LYS 4 9.014 -7.624 -1.336 35 1HG LYS 4 HG2 LYS 4 9.394 -7.975 0.906 36 2HG LYS 4 HG1 LYS 4 9.392 -9.655 0.370 37 1HD LYS 4 HD2 LYS 4 11.383 -9.568 1.577 38 2HD LYS 4 HD1 LYS 4 11.954 -9.219 -0.054 39 1HE LYS 4 HE2 LYS 4 11.656 -6.754 0.493 40 2HE LYS 4 HE1 LYS 4 11.405 -7.241 2.169 41 1HZ LYS 4 HZ2 LYS 4 13.795 -7.955 0.560 42 2HZ LYS 4 HZ1 LYS 4 13.730 -6.651 1.647 43 3HZ LYS 4 HZ3 LYS 4 13.561 -8.238 2.219 44 H LYS 5 HN LYS 5 7.341 -10.005 -2.233 45 HA LYS 5 HA LYS 5 7.038 -9.615 -5.095 46 1HB LYS 5 HB2 LYS 5 4.587 -9.925 -4.563 47 2HB LYS 5 HB1 LYS 5 5.626 -11.235 -4.002 48 1HG LYS 5 HG2 LYS 5 5.515 -9.215 -1.967 49 2HG LYS 5 HG1 LYS 5 3.869 -9.627 -2.449 50 1HD LYS 5 HD2 LYS 5 4.587 -12.080 -2.249 51 2HD LYS 5 HD1 LYS 5 6.026 -11.481 -1.423 52 1HE LYS 5 HE2 LYS 5 4.017 -10.110 -0.137 53 2HE LYS 5 HE1 LYS 5 3.252 -11.666 -0.458 54 1HZ LYS 5 HZ3 LYS 5 5.989 -11.691 0.559 55 2HZ LYS 5 HZ2 LYS 5 4.757 -11.263 1.649 56 3HZ LYS 5 HZ1 LYS 5 4.712 -12.767 0.857 57 H ILE 6 HN ILE 6 4.290 -8.201 -3.911 58 HA ILE 6 HA ILE 6 4.949 -5.631 -4.980 59 HB ILE 6 HB ILE 6 2.666 -6.612 -3.266 60 1HG1 ILE 6 HG12 ILE 6 2.905 -7.281 -5.710 61 2HG1 ILE 6 HG11 ILE 6 1.411 -6.430 -5.316 62 1HG2 ILE 6 HG21 ILE 6 3.313 -3.838 -4.262 63 2HG2 ILE 6 HG23 ILE 6 1.645 -4.344 -3.992 64 3HG2 ILE 6 HG22 ILE 6 2.792 -4.332 -2.651 65 1HD1 ILE 6 HD12 ILE 6 3.753 -4.771 -6.132 66 2HD1 ILE 6 HD11 ILE 6 2.944 -5.701 -7.392 67 3HD1 ILE 6 HD13 ILE 6 2.037 -4.521 -6.447 68 H GLU 7 HN GLU 7 5.786 -7.054 -2.025 69 HA GLU 7 HA GLU 7 5.612 -4.911 -0.187 70 1HB GLU 7 HB2 GLU 7 6.604 -7.445 -0.064 71 2HB GLU 7 HB1 GLU 7 8.101 -6.512 -0.059 72 1HG GLU 7 HG2 GLU 7 7.770 -5.918 2.082 73 2HG GLU 7 HG1 GLU 7 6.192 -5.239 1.675 74 H GLU 8 HN GLU 8 8.760 -5.812 -1.650 75 HA GLU 8 HA GLU 8 9.649 -3.037 -1.432 76 1HB GLU 8 HB2 GLU 8 11.754 -3.839 -2.313 77 2HB GLU 8 HB1 GLU 8 11.167 -5.068 -1.193 78 1HG GLU 8 HG2 GLU 8 10.261 -6.374 -3.064 79 2HG GLU 8 HG1 GLU 8 10.790 -5.133 -4.201 80 H ILE 9 HN ILE 9 8.434 -5.177 -3.966 81 HA ILE 9 HA ILE 9 9.050 -3.649 -6.255 82 HB ILE 9 HB ILE 9 6.604 -5.263 -5.503 83 1HG1 ILE 9 HG12 ILE 9 8.930 -5.628 -7.411 84 2HG1 ILE 9 HG11 ILE 9 8.567 -6.582 -5.973 85 1HG2 ILE 9 HG21 ILE 9 7.152 -3.769 -8.082 86 2HG2 ILE 9 HG23 ILE 9 5.935 -5.034 -7.919 87 3HG2 ILE 9 HG22 ILE 9 5.781 -3.540 -6.996 88 1HD1 ILE 9 HD13 ILE 9 6.329 -7.139 -7.132 89 2HD1 ILE 9 HD12 ILE 9 7.083 -6.521 -8.601 90 3HD1 ILE 9 HD11 ILE 9 7.781 -7.911 -7.770 91 H ALA 10 HN ALA 10 6.847 -3.166 -3.617 92 HA ALA 10 HA ALA 10 5.638 -0.739 -4.780 93 1HB ALA 10 HB3 ALA 10 5.388 -2.156 -2.110 94 2HB ALA 10 HB2 ALA 10 4.641 -0.587 -2.416 95 3HB ALA 10 HB1 ALA 10 4.157 -1.994 -3.364 96 H ALA 11 HN ALA 11 8.039 -1.766 -2.414 97 HA ALA 11 HA ALA 11 8.675 0.597 -1.106 98 1HB ALA 11 HB3 ALA 11 10.524 -1.528 -2.199 99 2HB ALA 11 HB2 ALA 11 11.069 -0.221 -1.145 100 3HB ALA 11 HB1 ALA 11 9.893 -1.397 -0.557 101 H LYS 12 HN LYS 12 9.123 -0.261 -4.445 102 HA LYS 12 HA LYS 12 10.992 1.906 -5.042 103 1HB LYS 12 HB2 LYS 12 10.192 -0.438 -6.320 104 2HB LYS 12 HB1 LYS 12 9.542 0.850 -7.336 105 1HG LYS 12 HG2 LYS 12 11.761 0.436 -8.129 106 2HG LYS 12 HG1 LYS 12 11.841 1.939 -7.211 107 1HD LYS 12 HD2 LYS 12 13.620 0.862 -6.232 108 2HD LYS 12 HD1 LYS 12 12.335 0.214 -5.212 109 1HE LYS 12 HE2 LYS 12 13.745 -1.619 -5.996 110 2HE LYS 12 HE1 LYS 12 12.152 -1.745 -6.743 111 1HZ LYS 12 HZ1 LYS 12 14.450 -0.392 -8.037 112 2HZ LYS 12 HZ3 LYS 12 14.082 -2.028 -8.284 113 3HZ LYS 12 HZ2 LYS 12 12.970 -0.830 -8.747 114 H TYR 13 HN TYR 13 8.262 2.602 -3.871 115 HA TYR 13 HA TYR 13 7.303 4.333 -6.110 116 1HB TYR 13 HB2 TYR 13 5.871 3.221 -3.671 117 2HB TYR 13 HB1 TYR 13 5.203 4.533 -4.629 118 HD1 TYR 13 HD1 TYR 13 7.040 1.432 -5.495 119 HD2 TYR 13 HD2 TYR 13 3.427 3.717 -6.034 120 HE1 TYR 13 HE1 TYR 13 6.238 -0.221 -7.148 121 HE2 TYR 13 HE2 TYR 13 2.665 2.083 -7.690 122 HH TYR 13 HH TYR 13 4.712 -0.552 -8.807 123 H LYS 14 HN LYS 14 8.902 5.898 -5.756 124 HA LYS 14 HA LYS 14 10.262 7.270 -4.201 125 1HB LYS 14 HB2 LYS 14 8.137 8.304 -5.793 126 2HB LYS 14 HB1 LYS 14 8.246 9.272 -4.324 127 1HG LYS 14 HG2 LYS 14 9.741 10.191 -6.034 128 2HG LYS 14 HG1 LYS 14 10.689 9.529 -4.701 129 1HD LYS 14 HD2 LYS 14 10.535 7.322 -6.221 130 2HD LYS 14 HD1 LYS 14 10.397 8.535 -7.494 131 1HE LYS 14 HE2 LYS 14 12.436 9.634 -6.183 132 2HE LYS 14 HE1 LYS 14 12.685 7.970 -5.654 133 1HZ LYS 14 HZ1 LYS 14 12.352 7.485 -8.178 134 2HZ LYS 14 HZ3 LYS 14 12.826 9.104 -8.356 135 3HZ LYS 14 HZ2 LYS 14 13.864 7.995 -7.594 136 H HIS 15 HN HIS 15 10.575 7.243 -2.070 137 HA HIS 15 HA HIS 15 8.582 6.780 -0.098 138 1HB HIS 15 HB2 HIS 15 10.404 7.903 1.435 139 2HB HIS 15 HB1 HIS 15 10.729 6.344 0.679 140 HD1 HIS 15 HD1 HIS 15 13.235 6.598 0.336 141 HD2 HIS 15 HD2 HIS 15 11.075 9.782 -1.276 142 HE1 HIS 15 HE1 HIS 15 14.877 7.963 -1.023 143 H SER 16 HN SER 16 9.313 9.645 -1.841 144 HA SER 16 HA SER 16 8.792 11.716 -0.049 145 1HB SER 16 HB2 SER 16 9.239 11.839 -2.589 146 2HB SER 16 HB1 SER 16 7.500 11.642 -2.776 147 HG SER 16 HG SER 16 8.635 13.869 -2.466 148 H VAL 17 HN VAL 17 6.385 9.824 -1.857 149 HA VAL 17 HA VAL 17 4.520 9.840 0.356 150 HB VAL 17 HB VAL 17 4.352 12.202 -0.672 151 1HG1 VAL 17 HG11 VAL 17 4.471 11.458 -3.035 152 2HG1 VAL 17 HG13 VAL 17 2.934 10.614 -2.833 153 3HG1 VAL 17 HG12 VAL 17 2.998 12.372 -2.711 154 1HG2 VAL 17 HG21 VAL 17 2.037 10.297 -0.330 155 2HG2 VAL 17 HG23 VAL 17 2.608 11.542 0.780 156 3HG2 VAL 17 HG22 VAL 17 1.767 12.000 -0.701 157 H VAL 18 HN VAL 18 4.821 9.633 -3.177 158 HA VAL 18 HA VAL 18 2.764 7.876 -3.822 159 HB VAL 18 HB VAL 18 4.144 8.701 -5.581 160 1HG1 VAL 18 HG13 VAL 18 6.174 8.474 -3.732 161 2HG1 VAL 18 HG12 VAL 18 6.586 7.218 -4.892 162 3HG1 VAL 18 HG11 VAL 18 6.402 8.884 -5.427 163 1HG2 VAL 18 HG22 VAL 18 3.600 5.989 -5.335 164 2HG2 VAL 18 HG21 VAL 18 4.129 6.798 -6.810 165 3HG2 VAL 18 HG23 VAL 18 5.311 6.021 -5.757 166 H LYS 19 HN LYS 19 5.587 7.229 -1.888 167 HA LYS 19 HA LYS 19 5.621 4.368 -2.197 168 1HB LYS 19 HB2 LYS 19 7.581 5.057 -1.204 169 2HB LYS 19 HB1 LYS 19 6.801 6.390 -0.369 170 1HG LYS 19 HG2 LYS 19 6.758 5.163 1.531 171 2HG LYS 19 HG1 LYS 19 5.836 3.896 0.729 172 1HD LYS 19 HD2 LYS 19 7.655 2.589 0.416 173 2HD LYS 19 HD1 LYS 19 8.679 3.955 -0.023 174 1HE LYS 19 HE2 LYS 19 8.927 4.570 2.328 175 2HE LYS 19 HE1 LYS 19 7.812 3.289 2.804 176 1HZ LYS 19 HZ3 LYS 19 9.347 1.663 1.887 177 2HZ LYS 19 HZ2 LYS 19 10.423 2.901 1.443 178 3HZ LYS 19 HZ1 LYS 19 10.104 2.597 3.083 179 H LYS 20 HN LYS 20 4.792 5.955 0.886 180 HA LYS 20 HA LYS 20 3.202 3.944 1.932 181 1HB LYS 20 HB2 LYS 20 3.712 6.619 2.587 182 2HB LYS 20 HB1 LYS 20 1.956 6.532 2.434 183 1HG LYS 20 HG2 LYS 20 2.239 4.324 3.846 184 2HG LYS 20 HG1 LYS 20 3.766 5.066 4.326 185 1HD LYS 20 HD2 LYS 20 1.910 5.633 5.887 186 2HD LYS 20 HD1 LYS 20 2.593 7.060 5.110 187 1HE LYS 20 HE2 LYS 20 0.687 7.493 3.938 188 2HE LYS 20 HE1 LYS 20 0.369 5.785 3.637 189 1HZ LYS 20 HZ3 LYS 20 -0.363 5.570 5.941 190 2HZ LYS 20 HZ2 LYS 20 -0.105 7.231 6.187 191 3HZ LYS 20 HZ1 LYS 20 -1.298 6.704 5.096 192 H CYS 21 HN CYS 21 2.445 6.079 -0.688 193 HA CYS 21 HA CYS 21 -0.432 5.801 -0.764 194 1HB CYS 21 HB2 CYS 21 1.589 6.203 -2.968 195 2HB CYS 21 HB1 CYS 21 -0.148 6.380 -3.085 196 H CYS 22 HN CYS 22 2.101 4.221 -2.754 197 HA CYS 22 HA CYS 22 0.384 2.370 -3.978 198 1HB CYS 22 HB2 CYS 22 2.306 2.376 -5.065 199 2HB CYS 22 HB1 CYS 22 3.286 2.664 -3.636 200 H TYR 23 HN TYR 23 2.295 2.181 -1.003 201 HA TYR 23 HA TYR 23 1.567 -0.487 -0.293 202 1HB TYR 23 HB2 TYR 23 2.324 1.930 1.366 203 2HB TYR 23 HB1 TYR 23 1.937 0.375 2.102 204 HD1 TYR 23 HD2 TYR 23 4.151 2.005 -0.391 205 HD2 TYR 23 HD1 TYR 23 3.550 -1.365 2.185 206 HE1 TYR 23 HE2 TYR 23 6.453 1.244 -0.869 207 HE2 TYR 23 HE1 TYR 23 5.855 -2.145 1.702 208 HH TYR 23 HH TYR 23 8.176 -0.548 0.772 209 H ASP 24 HN ASP 24 0.009 2.637 -0.031 210 HA ASP 24 HA ASP 24 -2.125 1.955 1.726 211 1HB ASP 24 HB2 ASP 24 -1.537 4.144 -0.193 212 2HB ASP 24 HB1 ASP 24 -3.259 3.756 -0.048 213 H GLY 25 HN GLY 25 -1.875 1.814 -1.800 214 1HA GLY 25 HA2 GLY 25 -4.474 0.837 -2.358 215 2HA GLY 25 HA1 GLY 25 -3.057 0.607 -3.379 216 H ALA 26 HN ALA 26 -1.400 -1.011 -2.072 217 HA ALA 26 HA ALA 26 -2.913 -3.529 -2.017 218 1HB ALA 26 HB1 ALA 26 -0.494 -2.970 -2.987 219 2HB ALA 26 HB3 ALA 26 -0.005 -3.446 -1.361 220 3HB ALA 26 HB2 ALA 26 -0.898 -4.576 -2.379 221 H SER 27 HN SER 27 -2.407 -1.300 0.397 222 HA SER 27 HA SER 27 -1.870 -3.349 2.462 223 1HB SER 27 HB2 SER 27 -1.889 -0.373 2.529 224 2HB SER 27 HB1 SER 27 -1.800 -1.335 3.983 225 HG SER 27 HG SER 27 0.265 -1.324 3.553 226 H VAL 28 HN VAL 28 -4.198 -0.715 1.844 227 HA VAL 28 HA VAL 28 -5.927 -1.524 4.000 228 HB VAL 28 HB VAL 28 -7.090 -0.146 1.613 229 1HG1 VAL 28 HG13 VAL 28 -7.252 0.014 4.620 230 2HG1 VAL 28 HG12 VAL 28 -7.851 1.334 3.618 231 3HG1 VAL 28 HG11 VAL 28 -8.548 -0.276 3.462 232 1HG2 VAL 28 HG23 VAL 28 -4.632 0.681 2.981 233 2HG2 VAL 28 HG22 VAL 28 -5.364 1.321 1.510 234 3HG2 VAL 28 HG21 VAL 28 -5.905 1.895 3.085 235 H ASN 29 HN ASN 29 -8.365 -2.094 3.338 236 HA ASN 29 HA ASN 29 -8.620 -4.726 2.708 237 1HB ASN 29 HB2 ASN 29 -10.384 -2.503 2.745 238 2HB ASN 29 HB1 ASN 29 -10.733 -3.402 1.273 239 1HD2 ASN 29 HD22 ASN 29 -11.130 -6.450 3.536 240 2HD2 ASN 29 HD21 ASN 29 -9.915 -6.026 2.430 241 H ASN 30 HN ASN 30 -9.158 -5.930 0.750 242 HA ASN 30 HA ASN 30 -7.385 -5.745 -1.348 243 1HB ASN 30 HB2 ASN 30 -10.110 -6.896 -1.058 244 2HB ASN 30 HB1 ASN 30 -9.514 -6.703 -2.707 245 1HD2 ASN 30 HD22 ASN 30 -7.918 -9.570 -0.311 246 2HD2 ASN 30 HD21 ASN 30 -9.128 -8.525 0.258 247 H ASP 31 HN ASP 31 -10.216 -3.742 -0.834 248 HA ASP 31 HA ASP 31 -9.355 -2.082 -3.121 249 1HB ASP 31 HB2 ASP 31 -12.050 -3.431 -2.927 250 2HB ASP 31 HB1 ASP 31 -11.802 -1.974 -3.891 251 H GLU 32 HN GLU 32 -9.902 -2.024 0.011 252 HA GLU 32 HA GLU 32 -11.966 -0.163 0.497 253 1HB GLU 32 HB2 GLU 32 -11.053 -0.927 2.473 254 2HB GLU 32 HB1 GLU 32 -9.393 -0.792 1.892 255 1HG GLU 32 HG2 GLU 32 -9.266 1.464 2.414 256 2HG GLU 32 HG1 GLU 32 -10.996 1.718 2.193 257 H THR 33 HN THR 33 -8.535 0.832 0.524 258 HA THR 33 HA THR 33 -9.243 3.522 -0.331 259 HB THR 33 HB THR 33 -6.452 2.418 -0.464 260 HG1 THR 33 HG1 THR 33 -7.816 3.233 1.884 261 1HG2 THR 33 HG21 THR 33 -7.750 5.066 0.155 262 2HG2 THR 33 HG23 THR 33 -6.063 4.746 0.555 263 3HG2 THR 33 HG22 THR 33 -6.598 4.683 -1.124 264 H CYS 34 HN CYS 34 -7.672 0.716 -1.848 265 HA CYS 34 HA CYS 34 -6.843 1.529 -4.324 266 1HB CYS 34 HB2 CYS 34 -7.371 -0.867 -3.364 267 2HB CYS 34 HB1 CYS 34 -8.886 -0.672 -4.244 268 H GLU 35 HN GLU 35 -10.175 1.490 -3.181 269 HA GLU 35 HA GLU 35 -11.248 2.280 -5.813 270 1HB GLU 35 HB2 GLU 35 -12.290 0.816 -3.763 271 2HB GLU 35 HB1 GLU 35 -13.018 2.392 -3.453 272 1HG GLU 35 HG2 GLU 35 -14.381 2.222 -5.251 273 2HG GLU 35 HG1 GLU 35 -13.063 1.680 -6.290 274 H GLN 36 HN GLN 36 -11.923 3.690 -2.586 275 HA GLN 36 HA GLN 36 -12.785 6.174 -3.419 276 1HB GLN 36 HB2 GLN 36 -11.187 5.339 -1.014 277 2HB GLN 36 HB1 GLN 36 -11.567 7.044 -1.267 278 1HG GLN 36 HG2 GLN 36 -13.900 5.366 -1.716 279 2HG GLN 36 HG1 GLN 36 -13.240 5.130 -0.096 280 1HE2 GLN 36 HE22 GLN 36 -14.869 8.066 0.953 281 2HE2 GLN 36 HE21 GLN 36 -14.541 6.425 1.236 282 H ARG 37 HN ARG 37 -9.535 4.974 -3.604 283 HA ARG 37 HA ARG 37 -8.512 7.664 -4.281 284 1HB ARG 37 HB2 ARG 37 -7.396 5.240 -3.112 285 2HB ARG 37 HB1 ARG 37 -6.389 5.876 -4.412 286 1HG ARG 37 HG2 ARG 37 -5.850 6.793 -2.127 287 2HG ARG 37 HG1 ARG 37 -6.241 8.021 -3.325 288 1HD ARG 37 HD2 ARG 37 -8.715 7.328 -2.229 289 2HD ARG 37 HD1 ARG 37 -7.621 7.359 -0.848 290 HE ARG 37 HE ARG 37 -7.026 9.694 -2.211 291 1HH1 ARG 37 HH21 ARG 37 -9.872 8.179 -0.969 292 2HH1 ARG 37 HH22 ARG 37 -10.681 9.674 -0.643 293 1HH2 ARG 37 HH12 ARG 37 -8.073 11.649 -1.790 294 2HH2 ARG 37 HH11 ARG 37 -9.666 11.636 -1.107 295 H ALA 38 HN ALA 38 -8.617 4.345 -5.676 296 HA ALA 38 HA ALA 38 -7.527 5.385 -8.206 297 1HB ALA 38 HB1 ALA 38 -7.246 2.989 -7.127 298 2HB ALA 38 HB3 ALA 38 -8.757 2.665 -7.976 299 3HB ALA 38 HB2 ALA 38 -7.330 3.175 -8.878 300 H ALA 39 HN ALA 39 -10.622 3.995 -7.128 301 HA ALA 39 HA ALA 39 -11.945 4.394 -9.654 302 1HB ALA 39 HB2 ALA 39 -12.593 3.277 -7.123 303 2HB ALA 39 HB1 ALA 39 -13.810 4.504 -7.470 304 3HB ALA 39 HB3 ALA 39 -13.534 3.188 -8.612 305 H ARG 40 HN ARG 40 -11.532 6.401 -6.775 306 HA ARG 40 HA ARG 40 -13.120 8.548 -8.117 307 1HB ARG 40 HB2 ARG 40 -12.486 7.932 -5.243 308 2HB ARG 40 HB1 ARG 40 -12.881 9.583 -5.717 309 1HG ARG 40 HG2 ARG 40 -14.615 7.204 -6.423 310 2HG ARG 40 HG1 ARG 40 -14.862 8.180 -4.974 311 1HD ARG 40 HD2 ARG 40 -15.867 9.817 -6.154 312 2HD ARG 40 HD1 ARG 40 -14.552 9.858 -7.328 313 HE ARG 40 HE ARG 40 -15.971 7.571 -7.996 314 1HH1 ARG 40 HH21 ARG 40 -16.699 10.910 -7.492 315 2HH1 ARG 40 HH22 ARG 40 -18.003 10.930 -8.632 316 1HH2 ARG 40 HH12 ARG 40 -17.671 7.587 -9.483 317 2HH2 ARG 40 HH11 ARG 40 -18.552 9.053 -9.757 318 H ILE 41 HN ILE 41 -11.757 9.818 -9.297 319 HA ILE 41 HA ILE 41 -9.417 10.984 -7.897 320 HB ILE 41 HB ILE 41 -9.284 9.509 -10.541 321 1HG1 ILE 41 HG12 ILE 41 -7.393 9.208 -8.225 322 2HG1 ILE 41 HG11 ILE 41 -8.974 8.422 -8.154 323 1HG2 ILE 41 HG23 ILE 41 -7.911 11.879 -9.765 324 2HG2 ILE 41 HG22 ILE 41 -6.754 10.551 -9.682 325 3HG2 ILE 41 HG21 ILE 41 -7.618 10.876 -11.185 326 1HD1 ILE 41 HD11 ILE 41 -7.040 8.113 -10.466 327 2HD1 ILE 41 HD13 ILE 41 -7.179 6.962 -9.138 328 3HD1 ILE 41 HD12 ILE 41 -8.543 7.231 -10.221 329 H SER 42 HN SER 42 -11.549 12.513 -8.204 330 HA SER 42 HA SER 42 -12.069 13.732 -10.705 331 1HB SER 42 HB2 SER 42 -12.546 15.813 -9.182 332 2HB SER 42 HB1 SER 42 -13.546 14.376 -9.002 333 HG SER 42 HG SER 42 -12.849 14.279 -7.032 334 H LEU 43 HN LEU 43 -9.319 13.894 -8.652 335 HA LEU 43 HA LEU 43 -8.065 15.879 -10.493 336 1HB LEU 43 HB2 LEU 43 -8.600 17.150 -8.509 337 2HB LEU 43 HB1 LEU 43 -8.010 15.866 -7.459 338 HG LEU 43 HG LEU 43 -6.473 17.905 -7.832 339 1HD1 LEU 43 HD13 LEU 43 -5.974 15.197 -7.353 340 2HD1 LEU 43 HD12 LEU 43 -4.796 15.649 -8.585 341 3HD1 LEU 43 HD11 LEU 43 -4.861 16.534 -7.062 342 1HD2 LEU 43 HD23 LEU 43 -6.236 16.486 -10.498 343 2HD2 LEU 43 HD22 LEU 43 -6.629 18.178 -10.208 344 3HD2 LEU 43 HD21 LEU 43 -5.001 17.582 -9.885 345 H GLY 44 HN GLY 44 -7.615 13.404 -7.992 346 1HA GLY 44 HA2 GLY 44 -6.127 11.590 -7.980 347 2HA GLY 44 HA1 GLY 44 -5.530 12.091 -9.558 348 HA PRO 45 HA PRO 45 -3.335 14.698 -5.903 349 1HB PRO 45 HB2 PRO 45 -3.095 12.519 -3.994 350 2HB PRO 45 HB1 PRO 45 -3.717 14.154 -3.743 351 1HG PRO 45 HG2 PRO 45 -5.224 11.789 -3.804 352 2HG PRO 45 HG1 PRO 45 -5.849 13.440 -3.843 353 1HD PRO 45 HD2 PRO 45 -5.850 11.469 -5.952 354 2HD PRO 45 HD1 PRO 45 -6.586 13.077 -5.938 355 H ARG 46 HN ARG 46 -2.729 11.192 -5.518 356 HA ARG 46 HA ARG 46 -0.606 11.016 -7.398 357 1HB ARG 46 HB2 ARG 46 0.098 12.403 -4.991 358 2HB ARG 46 HB1 ARG 46 0.937 10.851 -5.004 359 1HG ARG 46 HG2 ARG 46 2.105 11.342 -6.952 360 2HG ARG 46 HG1 ARG 46 0.888 12.488 -7.515 361 1HD ARG 46 HD2 ARG 46 1.877 14.221 -6.451 362 2HD ARG 46 HD1 ARG 46 2.103 13.285 -4.973 363 HE ARG 46 HE ARG 46 4.005 12.249 -6.694 364 1HH1 ARG 46 HH21 ARG 46 3.100 15.395 -5.586 365 2HH1 ARG 46 HH22 ARG 46 4.706 16.033 -5.689 366 1HH2 ARG 46 HH12 ARG 46 6.102 13.072 -6.831 367 2HH2 ARG 46 HH11 ARG 46 6.404 14.721 -6.392 368 H CYS 47 HN CYS 47 -1.629 9.960 -4.134 369 HA CYS 47 HA CYS 47 -0.509 7.353 -4.369 370 1HB CYS 47 HB2 CYS 47 -3.013 7.940 -2.773 371 2HB CYS 47 HB1 CYS 47 -1.823 6.709 -2.458 372 H ILE 48 HN ILE 48 -3.423 8.742 -5.702 373 HA ILE 48 HA ILE 48 -4.649 6.184 -6.158 374 HB ILE 48 HB ILE 48 -6.171 7.352 -7.621 375 1HG1 ILE 48 HG12 ILE 48 -5.650 9.883 -8.006 376 2HG1 ILE 48 HG11 ILE 48 -3.979 9.407 -7.757 377 1HG2 ILE 48 HG21 ILE 48 -6.403 7.812 -5.209 378 2HG2 ILE 48 HG23 ILE 48 -5.328 9.199 -5.378 379 3HG2 ILE 48 HG22 ILE 48 -6.899 9.200 -6.176 380 1HD1 ILE 48 HD13 ILE 48 -5.202 7.513 -9.524 381 2HD1 ILE 48 HD12 ILE 48 -5.560 9.136 -10.115 382 3HD1 ILE 48 HD11 ILE 48 -3.889 8.637 -9.874 383 H LYS 49 HN LYS 49 -2.631 8.303 -8.247 384 HA LYS 49 HA LYS 49 -2.645 6.482 -10.462 385 1HB LYS 49 HB2 LYS 49 -1.691 9.004 -10.078 386 2HB LYS 49 HB1 LYS 49 -0.190 8.078 -10.037 387 1HG LYS 49 HG2 LYS 49 -0.840 6.993 -12.184 388 2HG LYS 49 HG1 LYS 49 -2.274 8.020 -12.240 389 1HD LYS 49 HD2 LYS 49 0.128 9.587 -11.752 390 2HD LYS 49 HD1 LYS 49 0.261 8.654 -13.244 391 1HE LYS 49 HE2 LYS 49 -1.460 9.780 -14.266 392 2HE LYS 49 HE1 LYS 49 -2.329 10.039 -12.753 393 1HZ LYS 49 HZ1 LYS 49 0.197 11.379 -12.814 394 2HZ LYS 49 HZ3 LYS 49 -0.822 11.886 -14.071 395 3HZ LYS 49 HZ2 LYS 49 -1.346 11.994 -12.459 396 H ALA 50 HN ALA 50 0.054 7.158 -8.209 397 HA ALA 50 HA ALA 50 1.651 4.937 -8.892 398 1HB ALA 50 HB3 ALA 50 2.151 6.859 -7.215 399 2HB ALA 50 HB2 ALA 50 1.348 5.827 -6.031 400 3HB ALA 50 HB1 ALA 50 2.798 5.258 -6.857 401 H PHE 51 HN PHE 51 -0.674 5.200 -6.255 402 HA PHE 51 HA PHE 51 -0.339 2.435 -5.664 403 1HB PHE 51 HB2 PHE 51 -1.240 2.993 -3.749 404 2HB PHE 51 HB1 PHE 51 -1.242 4.638 -4.282 405 HD1 PHE 51 HD1 PHE 51 -3.609 4.168 -6.337 406 HD2 PHE 51 HD2 PHE 51 -3.028 3.218 -2.215 407 HE1 PHE 51 HE1 PHE 51 -6.050 4.101 -6.009 408 HE2 PHE 51 HE2 PHE 51 -5.473 3.181 -1.882 409 HZ PHE 51 HZ PHE 51 -6.985 3.606 -3.785 410 H THR 52 HN THR 52 -2.156 3.885 -8.124 411 HA THR 52 HA THR 52 -4.373 1.940 -8.006 412 HB THR 52 HB THR 52 -3.628 4.149 -9.926 413 HG1 THR 52 HG1 THR 52 -5.603 4.890 -9.311 414 1HG2 THR 52 HG21 THR 52 -5.615 1.915 -10.420 415 2HG2 THR 52 HG23 THR 52 -5.569 3.421 -11.338 416 3HG2 THR 52 HG22 THR 52 -4.202 2.308 -11.400 417 H GLU 53 HN GLU 53 -1.383 2.528 -9.796 418 HA GLU 53 HA GLU 53 -1.748 0.087 -11.403 419 1HB GLU 53 HB2 GLU 53 0.900 1.469 -10.990 420 2HB GLU 53 HB1 GLU 53 0.286 0.662 -12.434 421 1HG GLU 53 HG2 GLU 53 -1.575 2.655 -12.057 422 2HG GLU 53 HG1 GLU 53 -0.080 3.442 -11.548 423 H CYS 54 HN CYS 54 -0.227 1.104 -8.426 424 HA CYS 54 HA CYS 54 1.245 -1.375 -7.998 425 1HB CYS 54 HB2 CYS 54 2.174 0.472 -6.916 426 2HB CYS 54 HB1 CYS 54 0.609 1.082 -6.365 427 H CYS 55 HN CYS 55 -1.896 -0.080 -7.018 428 HA CYS 55 HA CYS 55 -2.480 -2.300 -5.227 429 1HB CYS 55 HB2 CYS 55 -3.666 -0.221 -4.825 430 2HB CYS 55 HB1 CYS 55 -4.304 -0.190 -6.461 431 H VAL 56 HN VAL 56 -3.622 -1.335 -8.469 432 HA VAL 56 HA VAL 56 -5.175 -3.611 -9.034 433 HB VAL 56 HB VAL 56 -4.735 -3.132 -11.424 434 1HG1 VAL 56 HG13 VAL 56 -5.276 -0.867 -9.518 435 2HG1 VAL 56 HG12 VAL 56 -5.262 -0.582 -11.258 436 3HG1 VAL 56 HG11 VAL 56 -6.405 -1.730 -10.561 437 1HG2 VAL 56 HG21 VAL 56 -2.506 -1.515 -10.216 438 2HG2 VAL 56 HG23 VAL 56 -2.462 -2.602 -11.604 439 3HG2 VAL 56 HG22 VAL 56 -3.216 -1.015 -11.750 440 H VAL 57 HN VAL 57 -1.655 -3.101 -9.718 441 HA VAL 57 HA VAL 57 -1.203 -5.731 -10.713 442 HB VAL 57 HB VAL 57 0.591 -4.067 -10.813 443 1HG1 VAL 57 HG11 VAL 57 -0.059 -3.018 -8.595 444 2HG1 VAL 57 HG13 VAL 57 0.753 -4.361 -7.798 445 3HG1 VAL 57 HG12 VAL 57 1.673 -3.249 -8.808 446 1HG2 VAL 57 HG21 VAL 57 0.823 -6.737 -10.078 447 2HG2 VAL 57 HG23 VAL 57 2.150 -5.725 -10.647 448 3HG2 VAL 57 HG22 VAL 57 1.865 -5.914 -8.917 449 H ALA 58 HN ALA 58 -1.123 -4.481 -7.367 450 HA ALA 58 HA ALA 58 -0.300 -6.757 -6.003 451 1HB ALA 58 HB1 ALA 58 -1.585 -4.370 -5.308 452 2HB ALA 58 HB3 ALA 58 -2.671 -5.637 -4.736 453 3HB ALA 58 HB2 ALA 58 -0.995 -5.600 -4.189 454 H SER 59 HN SER 59 -3.626 -6.012 -7.032 455 HA SER 59 HA SER 59 -4.567 -8.693 -6.329 456 1HB SER 59 HB2 SER 59 -6.371 -7.353 -8.101 457 2HB SER 59 HB1 SER 59 -6.555 -7.647 -6.373 458 HG SER 59 HG SER 59 -6.460 -5.512 -6.395 459 H GLN 60 HN GLN 60 -4.966 -7.019 -9.429 460 HA GLN 60 HA GLN 60 -5.460 -9.015 -11.145 461 1HB GLN 60 HB2 GLN 60 -4.356 -6.450 -11.407 462 2HB GLN 60 HB1 GLN 60 -3.280 -7.512 -12.316 463 1HG GLN 60 HG2 GLN 60 -4.874 -8.017 -13.873 464 2HG GLN 60 HG1 GLN 60 -6.179 -8.006 -12.686 465 1HE2 GLN 60 HE22 GLN 60 -6.301 -4.955 -14.993 466 2HE2 GLN 60 HE21 GLN 60 -6.071 -6.600 -15.345 467 H LEU 61 HN LEU 61 -2.276 -8.576 -9.654 468 HA LEU 61 HA LEU 61 -1.321 -10.934 -11.193 469 1HB LEU 61 HB2 LEU 61 0.752 -10.013 -11.193 470 2HB LEU 61 HB1 LEU 61 -0.049 -8.538 -10.684 471 HG LEU 61 HG LEU 61 0.264 -9.444 -8.295 472 1HD1 LEU 61 HD13 LEU 61 2.034 -11.268 -9.882 473 2HD1 LEU 61 HD12 LEU 61 2.488 -10.805 -8.242 474 3HD1 LEU 61 HD11 LEU 61 0.976 -11.663 -8.528 475 1HD2 LEU 61 HD23 LEU 61 2.096 -8.091 -10.107 476 2HD2 LEU 61 HD22 LEU 61 1.658 -7.684 -8.447 477 3HD2 LEU 61 HD21 LEU 61 2.928 -8.866 -8.760 478 H ARG 62 HN ARG 62 -1.484 -9.853 -7.729 479 HA ARG 62 HA ARG 62 -0.655 -12.546 -6.983 480 1HB ARG 62 HB2 ARG 62 -1.922 -10.359 -5.294 481 2HB ARG 62 HB1 ARG 62 -1.269 -11.866 -4.659 482 1HG ARG 62 HG2 ARG 62 0.837 -11.021 -6.157 483 2HG ARG 62 HG1 ARG 62 0.157 -9.472 -5.659 484 1HD ARG 62 HD2 ARG 62 0.953 -9.736 -3.577 485 2HD ARG 62 HD1 ARG 62 0.161 -11.301 -3.423 486 HE ARG 62 HE ARG 62 2.949 -10.913 -3.725 487 1HH1 ARG 62 HH21 ARG 62 0.411 -12.781 -5.168 488 2HH1 ARG 62 HH22 ARG 62 1.497 -13.909 -5.896 489 1HH2 ARG 62 HH12 ARG 62 4.347 -12.404 -4.648 490 2HH2 ARG 62 HH11 ARG 62 3.711 -13.706 -5.596 491 H ALA 63 HN ALA 63 -3.780 -10.805 -6.780 492 HA ALA 63 HA ALA 63 -5.428 -12.798 -5.801 493 1HB ALA 63 HB1 ALA 63 -5.964 -10.938 -8.137 494 2HB ALA 63 HB3 ALA 63 -7.209 -11.887 -7.326 495 3HB ALA 63 HB2 ALA 63 -6.337 -10.635 -6.441 496 H ASN 64 HN ASN 64 -4.043 -12.578 -9.056 497 HA ASN 64 HA ASN 64 -4.018 -15.388 -9.464 498 1HB ASN 64 HB2 ASN 64 -6.562 -14.794 -9.523 499 2HB ASN 64 HB1 ASN 64 -6.200 -14.138 -11.120 500 1HD2 ASN 64 HD22 ASN 64 -7.082 -17.674 -11.713 501 2HD2 ASN 64 HD21 ASN 64 -7.880 -16.252 -11.242 502 H ILE 65 HN ILE 65 -1.940 -14.106 -10.064 503 HA ILE 65 HA ILE 65 -1.687 -12.444 -12.303 504 HB ILE 65 HB ILE 65 0.501 -14.072 -12.651 505 1HG1 ILE 65 HG12 ILE 65 -0.001 -14.074 -9.692 506 2HG1 ILE 65 HG11 ILE 65 -0.504 -15.441 -10.687 507 1HG2 ILE 65 HG22 ILE 65 0.179 -11.542 -12.027 508 2HG2 ILE 65 HG21 ILE 65 0.447 -12.109 -10.390 509 3HG2 ILE 65 HG23 ILE 65 1.688 -12.344 -11.603 510 1HD1 ILE 65 HD13 ILE 65 2.061 -15.024 -11.572 511 2HD1 ILE 65 HD12 ILE 65 2.204 -14.611 -9.863 512 3HD1 ILE 65 HD11 ILE 65 1.613 -16.202 -10.338 513 H SER 66 HN SER 66 -2.710 -12.771 -14.224 514 HA SER 66 HA SER 66 -1.958 -14.879 -15.988 515 1HB SER 66 HB2 SER 66 -3.670 -16.437 -15.860 516 2HB SER 66 HB1 SER 66 -3.531 -15.991 -14.161 517 HG SER 66 HG SER 66 -5.166 -14.338 -14.708 518 H HIS 67 HN HIS 67 -4.502 -12.598 -15.045 519 HA HIS 67 HA HIS 67 -5.525 -12.278 -17.738 520 1HB HIS 67 HB2 HIS 67 -5.825 -10.700 -15.183 521 2HB HIS 67 HB1 HIS 67 -6.537 -10.149 -16.699 522 HD1 HIS 67 HD1 HIS 67 -7.478 -11.971 -13.830 523 HD2 HIS 67 HD2 HIS 67 -8.048 -12.604 -17.911 524 HE1 HIS 67 HE1 HIS 67 -9.418 -13.585 -14.040 525 H LYS 68 HN LYS 68 -3.406 -10.296 -15.671 526 HA LYS 68 HA LYS 68 -1.678 -9.513 -17.790 527 1HB LYS 68 HB2 LYS 68 -3.590 -8.299 -18.690 528 2HB LYS 68 HB1 LYS 68 -3.873 -7.527 -17.128 529 1HG LYS 68 HG2 LYS 68 -1.715 -6.389 -17.259 530 2HG LYS 68 HG1 LYS 68 -1.345 -7.215 -18.774 531 1HD LYS 68 HD2 LYS 68 -2.170 -5.202 -19.584 532 2HD LYS 68 HD1 LYS 68 -3.650 -6.162 -19.539 533 1HE LYS 68 HE2 LYS 68 -3.073 -4.874 -16.975 534 2HE LYS 68 HE1 LYS 68 -3.275 -3.711 -18.286 535 1HZ LYS 68 HZ1 LYS 68 -5.281 -5.381 -18.789 536 2HZ LYS 68 HZ3 LYS 68 -5.207 -5.524 -17.100 537 3HZ LYS 68 HZ2 LYS 68 -5.439 -3.999 -17.813 538 H ASP 69 HN ASP 69 0.156 -8.825 -16.780 539 HA ASP 69 HA ASP 69 0.179 -8.393 -13.920 540 1HB ASP 69 HB2 ASP 69 2.588 -7.790 -14.311 541 2HB ASP 69 HB1 ASP 69 2.134 -9.348 -15.000 542 H MET 70 HN MET 70 1.879 -6.218 -13.541 543 HA MET 70 HA MET 70 1.088 -3.839 -14.917 544 1HB MET 70 HB2 MET 70 -0.845 -4.830 -13.057 545 2HB MET 70 HB1 MET 70 -0.143 -3.358 -12.384 546 1HG MET 70 HG2 MET 70 -0.602 -2.991 -15.202 547 2HG MET 70 HG1 MET 70 -2.088 -3.553 -14.436 548 1HE MET 70 HE2 MET 70 -2.647 -1.288 -15.611 549 2HE MET 70 HE1 MET 70 -2.481 0.290 -14.843 550 3HE MET 70 HE3 MET 70 -1.120 -0.416 -15.726 551 H CYS 71 HN CYS 71 1.164 -2.036 -12.722 552 HA CYS 71 HA CYS 71 3.987 -1.893 -12.252 553 1HB CYS 71 HB2 CYS 71 1.573 -0.391 -11.436 554 2HB CYS 71 HB1 CYS 71 2.955 -0.223 -10.352 555 1H CYS 72 HN3 CYS 72 4.381 3.918 -12.016 556 2H CYS 72 HN2 CYS 72 2.917 3.083 -12.217 557 3H CYS 72 HN1 CYS 72 2.908 4.733 -11.818 558 HA CYS 72 HA CYS 72 2.385 3.445 -9.870 559 1HB CYS 72 HB2 CYS 72 4.758 2.210 -9.182 560 2HB CYS 72 HB1 CYS 72 3.284 1.413 -9.704 561 H LEU 73 HN LEU 73 5.921 3.740 -10.051 562 HA LEU 73 HA LEU 73 6.413 5.086 -7.736 563 1HB LEU 73 HB2 LEU 73 8.435 5.927 -8.681 564 2HB LEU 73 HB1 LEU 73 8.095 4.429 -9.548 565 HG LEU 73 HG LEU 73 7.264 7.166 -10.549 566 1HD1 LEU 73 HD12 LEU 73 9.783 5.579 -10.890 567 2HD1 LEU 73 HD11 LEU 73 9.179 6.517 -12.256 568 3HD1 LEU 73 HD13 LEU 73 9.574 7.323 -10.737 569 1HD2 LEU 73 HD23 LEU 73 7.302 4.376 -11.725 570 2HD2 LEU 73 HD22 LEU 73 5.910 5.439 -11.513 571 3HD2 LEU 73 HD21 LEU 73 7.139 5.824 -12.719 572 H GLY 74 HN GLY 74 6.746 7.395 -7.209 573 1HA GLY 74 HA2 GLY 74 4.634 9.069 -8.476 574 2HA GLY 74 HA1 GLY 74 5.338 9.353 -6.882 575 1HN DAR 75 HN ARG 75 8.019 9.319 -7.352 576 HA DAR 75 HA ARG 75 9.815 10.459 -8.373 577 1HB DAR 75 HB1 ARG 75 8.063 12.201 -7.129 578 2HB DAR 75 HB2 ARG 75 8.260 12.921 -8.728 579 1HG DAR 75 HG1 ARG 75 10.329 13.634 -8.191 580 2HG DAR 75 HG2 ARG 75 10.814 11.996 -7.753 581 1HD DAR 75 HD1 ARG 75 9.950 12.279 -5.505 582 2HD DAR 75 HD2 ARG 75 9.244 13.842 -5.930 583 HNE DAR 75 HE ARG 75 12.122 13.752 -6.370 584 1HH1 DAR 75 HH11 ARG 75 13.375 15.007 -4.974 585 2HH1 DAR 75 HH12 ARG 75 12.670 15.631 -3.520 586 1HH2 DAR 75 HH21 ARG 75 9.556 14.223 -4.107 587 2HH2 DAR 75 HH22 ARG 75 10.511 15.187 -3.031 No H/Q in entry = 587 Start of MODEL 13 1 1H MET 1 HN2 MET 1 16.044 -5.787 3.499 2 2H MET 1 HN1 MET 1 16.035 -5.867 5.197 3 3H MET 1 HN3 MET 1 17.101 -6.842 4.309 4 HA MET 1 HA MET 1 15.597 -8.450 4.402 5 1HB MET 1 HB2 MET 1 14.322 -6.351 5.899 6 2HB MET 1 HB1 MET 1 13.107 -7.199 4.942 7 1HG MET 1 HG2 MET 1 15.078 -8.959 6.254 8 2HG MET 1 HG1 MET 1 14.034 -8.072 7.364 9 1HE MET 1 HE1 MET 1 14.830 -10.732 5.533 10 2HE MET 1 HE3 MET 1 13.686 -11.760 6.406 11 3HE MET 1 HE2 MET 1 13.473 -11.467 4.682 12 H LEU 2 HN LEU 2 15.265 -9.161 2.341 13 HA LEU 2 HA LEU 2 13.261 -7.678 0.691 14 1HB LEU 2 HB2 LEU 2 15.976 -8.727 -0.068 15 2HB LEU 2 HB1 LEU 2 14.702 -8.617 -1.284 16 HG LEU 2 HG LEU 2 14.857 -6.199 0.334 17 1HD1 LEU 2 HD12 LEU 2 17.353 -7.365 -0.757 18 2HD1 LEU 2 HD11 LEU 2 17.068 -5.671 -1.156 19 3HD1 LEU 2 HD13 LEU 2 17.133 -6.180 0.531 20 1HD2 LEU 2 HD21 LEU 2 14.087 -6.987 -2.223 21 2HD2 LEU 2 HD23 LEU 2 14.178 -5.324 -1.642 22 3HD2 LEU 2 HD22 LEU 2 15.543 -6.031 -2.506 23 H GLN 3 HN GLN 3 11.635 -9.197 1.332 24 HA GLN 3 HA GLN 3 11.722 -11.704 -0.199 25 1HB GLN 3 HB2 GLN 3 12.603 -11.822 2.406 26 2HB GLN 3 HB1 GLN 3 10.888 -12.200 2.582 27 1HG GLN 3 HG2 GLN 3 11.031 -14.090 1.195 28 2HG GLN 3 HG1 GLN 3 12.527 -13.538 0.439 29 1HE2 GLN 3 HE22 GLN 3 13.019 -14.773 4.326 30 2HE2 GLN 3 HE21 GLN 3 11.774 -13.682 3.948 31 H LYS 4 HN LYS 4 10.035 -10.006 -1.040 32 HA LYS 4 HA LYS 4 7.411 -10.871 0.005 33 1HB LYS 4 HB2 LYS 4 8.544 -8.266 0.553 34 2HB LYS 4 HB1 LYS 4 7.095 -8.102 -0.440 35 1HG LYS 4 HG2 LYS 4 5.718 -8.856 1.214 36 2HG LYS 4 HG1 LYS 4 6.885 -10.053 1.776 37 1HD LYS 4 HD2 LYS 4 7.916 -7.403 2.257 38 2HD LYS 4 HD1 LYS 4 6.301 -7.547 2.953 39 1HE LYS 4 HE2 LYS 4 7.362 -9.937 3.696 40 2HE LYS 4 HE1 LYS 4 8.811 -8.930 3.705 41 1HZ LYS 4 HZ1 LYS 4 7.002 -7.344 4.906 42 2HZ LYS 4 HZ3 LYS 4 6.517 -8.873 5.454 43 3HZ LYS 4 HZ2 LYS 4 8.108 -8.340 5.726 44 H LYS 5 HN LYS 5 5.677 -9.573 -1.494 45 HA LYS 5 HA LYS 5 6.623 -10.074 -4.273 46 1HB LYS 5 HB2 LYS 5 3.810 -9.842 -3.157 47 2HB LYS 5 HB1 LYS 5 4.214 -10.211 -4.834 48 1HG LYS 5 HG2 LYS 5 5.702 -12.096 -3.630 49 2HG LYS 5 HG1 LYS 5 4.443 -11.923 -2.407 50 1HD LYS 5 HD2 LYS 5 2.829 -12.048 -4.496 51 2HD LYS 5 HD1 LYS 5 4.209 -12.850 -5.249 52 1HE LYS 5 HE2 LYS 5 2.630 -13.708 -2.829 53 2HE LYS 5 HE1 LYS 5 3.004 -14.633 -4.284 54 1HZ LYS 5 HZ2 LYS 5 5.336 -14.628 -3.638 55 2HZ LYS 5 HZ1 LYS 5 4.960 -13.764 -2.224 56 3HZ LYS 5 HZ3 LYS 5 4.372 -15.341 -2.433 57 H ILE 6 HN ILE 6 3.938 -7.988 -3.244 58 HA ILE 6 HA ILE 6 5.097 -5.844 -4.919 59 HB ILE 6 HB ILE 6 2.376 -6.456 -3.829 60 1HG1 ILE 6 HG12 ILE 6 3.247 -7.015 -6.173 61 2HG1 ILE 6 HG11 ILE 6 1.724 -6.130 -6.103 62 1HG2 ILE 6 HG22 ILE 6 3.399 -3.689 -4.514 63 2HG2 ILE 6 HG21 ILE 6 1.687 -4.110 -4.567 64 3HG2 ILE 6 HG23 ILE 6 2.571 -4.202 -3.044 65 1HD1 ILE 6 HD12 ILE 6 3.965 -4.292 -6.094 66 2HD1 ILE 6 HD11 ILE 6 4.050 -5.368 -7.490 67 3HD1 ILE 6 HD13 ILE 6 2.611 -4.385 -7.218 68 H GLU 7 HN GLU 7 5.152 -6.790 -1.697 69 HA GLU 7 HA GLU 7 4.821 -4.458 -0.186 70 1HB GLU 7 HB2 GLU 7 5.540 -6.827 0.579 71 2HB GLU 7 HB1 GLU 7 7.185 -6.286 0.246 72 1HG GLU 7 HG2 GLU 7 7.042 -5.614 2.443 73 2HG GLU 7 HG1 GLU 7 6.357 -4.178 1.682 74 H GLU 8 HN GLU 8 8.052 -5.544 -1.295 75 HA GLU 8 HA GLU 8 9.155 -2.892 -1.019 76 1HB GLU 8 HB2 GLU 8 11.145 -3.804 -2.062 77 2HB GLU 8 HB1 GLU 8 10.492 -5.050 -0.998 78 1HG GLU 8 HG2 GLU 8 9.489 -6.218 -2.851 79 2HG GLU 8 HG1 GLU 8 9.862 -4.893 -3.955 80 H ILE 9 HN ILE 9 7.525 -4.599 -3.635 81 HA ILE 9 HA ILE 9 8.296 -3.015 -5.844 82 HB ILE 9 HB ILE 9 5.540 -4.068 -5.113 83 1HG1 ILE 9 HG12 ILE 9 7.446 -5.712 -5.478 84 2HG1 ILE 9 HG11 ILE 9 6.078 -5.909 -6.573 85 1HG2 ILE 9 HG23 ILE 9 6.456 -2.349 -7.298 86 2HG2 ILE 9 HG22 ILE 9 5.687 -3.828 -7.875 87 3HG2 ILE 9 HG21 ILE 9 4.812 -2.743 -6.796 88 1HD1 ILE 9 HD11 ILE 9 8.592 -4.343 -7.224 89 2HD1 ILE 9 HD13 ILE 9 8.267 -5.991 -7.763 90 3HD1 ILE 9 HD12 ILE 9 7.247 -4.665 -8.318 91 H ALA 10 HN ALA 10 6.332 -2.374 -3.060 92 HA ALA 10 HA ALA 10 5.537 0.314 -3.980 93 1HB ALA 10 HB2 ALA 10 4.019 -1.124 -2.551 94 2HB ALA 10 HB1 ALA 10 5.194 -0.970 -1.246 95 3HB ALA 10 HB3 ALA 10 4.359 0.460 -1.853 96 H ALA 11 HN ALA 11 7.789 -1.322 -1.820 97 HA ALA 11 HA ALA 11 8.825 0.893 -0.422 98 1HB ALA 11 HB2 ALA 11 9.467 -1.424 0.097 99 2HB ALA 11 HB1 ALA 11 10.351 -1.511 -1.426 100 3HB ALA 11 HB3 ALA 11 10.887 -0.410 -0.157 101 H LYS 12 HN LYS 12 9.013 0.079 -3.744 102 HA LYS 12 HA LYS 12 11.405 1.735 -4.251 103 1HB LYS 12 HB2 LYS 12 9.594 0.278 -6.196 104 2HB LYS 12 HB1 LYS 12 11.181 0.959 -6.553 105 1HG LYS 12 HG2 LYS 12 10.670 -1.213 -4.502 106 2HG LYS 12 HG1 LYS 12 11.255 -1.502 -6.140 107 1HD LYS 12 HD2 LYS 12 13.247 -0.162 -5.710 108 2HD LYS 12 HD1 LYS 12 12.643 0.264 -4.107 109 1HE LYS 12 HE2 LYS 12 14.253 -1.542 -3.870 110 2HE LYS 12 HE1 LYS 12 12.644 -2.174 -3.520 111 1HZ LYS 12 HZ2 LYS 12 13.813 -2.317 -6.231 112 2HZ LYS 12 HZ1 LYS 12 14.113 -3.520 -5.070 113 3HZ LYS 12 HZ3 LYS 12 12.525 -3.218 -5.585 114 H TYR 13 HN TYR 13 7.916 1.923 -4.519 115 HA TYR 13 HA TYR 13 7.747 4.036 -6.416 116 1HB TYR 13 HB2 TYR 13 5.947 3.235 -4.103 117 2HB TYR 13 HB1 TYR 13 5.557 4.607 -5.126 118 HD1 TYR 13 HD1 TYR 13 7.265 1.523 -6.179 119 HD2 TYR 13 HD2 TYR 13 3.558 3.734 -6.343 120 HE1 TYR 13 HE1 TYR 13 6.421 -0.033 -7.877 121 HE2 TYR 13 HE2 TYR 13 2.753 2.179 -8.056 122 HH TYR 13 HH TYR 13 3.116 -0.015 -8.875 123 H LYS 14 HN LYS 14 8.617 6.014 -6.294 124 HA LYS 14 HA LYS 14 10.366 7.164 -4.741 125 1HB LYS 14 HB2 LYS 14 8.428 8.265 -6.398 126 2HB LYS 14 HB1 LYS 14 8.271 9.171 -4.893 127 1HG LYS 14 HG2 LYS 14 9.933 10.273 -6.263 128 2HG LYS 14 HG1 LYS 14 10.761 9.500 -4.913 129 1HD LYS 14 HD2 LYS 14 11.965 8.214 -6.312 130 2HD LYS 14 HD1 LYS 14 10.501 7.648 -7.118 131 1HE LYS 14 HE2 LYS 14 10.468 9.681 -8.508 132 2HE LYS 14 HE1 LYS 14 11.918 10.267 -7.694 133 1HZ LYS 14 HZ2 LYS 14 12.420 7.666 -8.563 134 2HZ LYS 14 HZ1 LYS 14 11.732 8.507 -9.870 135 3HZ LYS 14 HZ3 LYS 14 13.127 9.108 -9.116 136 H HIS 15 HN HIS 15 10.731 8.065 -2.759 137 HA HIS 15 HA HIS 15 8.954 7.254 -0.603 138 1HB HIS 15 HB2 HIS 15 11.384 9.043 -0.396 139 2HB HIS 15 HB1 HIS 15 10.681 8.029 0.864 140 HD1 HIS 15 HD1 HIS 15 11.720 5.780 1.120 141 HD2 HIS 15 HD2 HIS 15 12.367 7.327 -2.699 142 HE1 HIS 15 HE1 HIS 15 13.200 4.117 -0.088 143 H SER 16 HN SER 16 9.416 10.153 -2.465 144 HA SER 16 HA SER 16 8.690 12.218 -0.771 145 1HB SER 16 HB2 SER 16 8.956 12.925 -2.974 146 2HB SER 16 HB1 SER 16 7.987 11.603 -3.620 147 HG SER 16 HG SER 16 6.324 12.866 -3.493 148 H VAL 17 HN VAL 17 6.343 10.191 -2.528 149 HA VAL 17 HA VAL 17 4.595 10.080 -0.182 150 HB VAL 17 HB VAL 17 3.919 11.691 -2.650 151 1HG1 VAL 17 HG13 VAL 17 2.131 10.113 -0.851 152 2HG1 VAL 17 HG12 VAL 17 1.581 11.702 -1.383 153 3HG1 VAL 17 HG11 VAL 17 1.967 10.458 -2.573 154 1HG2 VAL 17 HG21 VAL 17 3.940 12.138 0.334 155 2HG2 VAL 17 HG23 VAL 17 4.739 13.079 -0.925 156 3HG2 VAL 17 HG22 VAL 17 2.988 13.172 -0.732 157 H VAL 18 HN VAL 18 4.879 9.596 -3.681 158 HA VAL 18 HA VAL 18 3.035 7.628 -4.239 159 HB VAL 18 HB VAL 18 4.726 8.562 -5.831 160 1HG1 VAL 18 HG11 VAL 18 6.496 6.636 -4.312 161 2HG1 VAL 18 HG13 VAL 18 6.944 7.368 -5.848 162 3HG1 VAL 18 HG12 VAL 18 6.697 8.381 -4.425 163 1HG2 VAL 18 HG21 VAL 18 3.818 5.806 -5.615 164 2HG2 VAL 18 HG23 VAL 18 3.959 6.818 -7.053 165 3HG2 VAL 18 HG22 VAL 18 5.352 5.903 -6.480 166 H LYS 19 HN LYS 19 5.825 7.288 -2.150 167 HA LYS 19 HA LYS 19 5.996 4.417 -2.267 168 1HB LYS 19 HB2 LYS 19 7.900 5.462 -1.374 169 2HB LYS 19 HB1 LYS 19 6.952 6.528 -0.348 170 1HG LYS 19 HG2 LYS 19 7.057 5.047 1.355 171 2HG LYS 19 HG1 LYS 19 6.412 3.765 0.333 172 1HD LYS 19 HD2 LYS 19 8.446 2.842 0.044 173 2HD LYS 19 HD1 LYS 19 9.175 4.400 -0.344 174 1HE LYS 19 HE2 LYS 19 9.839 4.781 1.815 175 2HE LYS 19 HE1 LYS 19 8.419 3.984 2.496 176 1HZ LYS 19 HZ1 LYS 19 10.074 2.154 1.072 177 2HZ LYS 19 HZ3 LYS 19 10.943 2.934 2.302 178 3HZ LYS 19 HZ2 LYS 19 9.520 2.084 2.677 179 H LYS 20 HN LYS 20 5.016 6.230 0.651 180 HA LYS 20 HA LYS 20 3.522 4.142 1.792 181 1HB LYS 20 HB2 LYS 20 4.034 6.094 3.120 182 2HB LYS 20 HB1 LYS 20 3.149 7.144 2.013 183 1HG LYS 20 HG2 LYS 20 1.048 6.226 2.656 184 2HG LYS 20 HG1 LYS 20 1.811 4.864 3.476 185 1HD LYS 20 HD2 LYS 20 1.749 6.056 5.383 186 2HD LYS 20 HD1 LYS 20 2.909 7.173 4.661 187 1HE LYS 20 HE2 LYS 20 1.156 8.572 3.802 188 2HE LYS 20 HE1 LYS 20 -0.077 7.376 4.204 189 1HZ LYS 20 HZ1 LYS 20 1.129 7.772 6.574 190 2HZ LYS 20 HZ3 LYS 20 1.223 9.323 5.892 191 3HZ LYS 20 HZ2 LYS 20 -0.287 8.563 6.069 192 H CYS 21 HN CYS 21 2.767 6.083 -0.935 193 HA CYS 21 HA CYS 21 -0.135 5.816 -0.874 194 1HB CYS 21 HB2 CYS 21 1.772 6.205 -3.183 195 2HB CYS 21 HB1 CYS 21 0.024 6.348 -3.205 196 H CYS 22 HN CYS 22 2.151 4.400 -3.228 197 HA CYS 22 HA CYS 22 0.561 2.404 -4.218 198 1HB CYS 22 HB2 CYS 22 2.511 2.541 -5.300 199 2HB CYS 22 HB1 CYS 22 3.481 2.704 -3.847 200 H TYR 23 HN TYR 23 2.417 2.423 -1.199 201 HA TYR 23 HA TYR 23 1.886 -0.270 -0.417 202 1HB TYR 23 HB2 TYR 23 2.517 2.274 1.037 203 2HB TYR 23 HB1 TYR 23 1.879 0.921 1.973 204 HD1 TYR 23 HD2 TYR 23 4.631 2.059 -0.192 205 HD2 TYR 23 HD1 TYR 23 3.167 -1.116 2.288 206 HE1 TYR 23 HE2 TYR 23 6.871 1.003 -0.235 207 HE2 TYR 23 HE1 TYR 23 5.407 -2.183 2.240 208 HH TYR 23 HH TYR 23 8.181 -0.584 1.205 209 H ASP 24 HN ASP 24 0.181 2.773 0.276 210 HA ASP 24 HA ASP 24 -2.078 1.908 1.617 211 1HB ASP 24 HB2 ASP 24 -1.640 4.076 -0.460 212 2HB ASP 24 HB1 ASP 24 -3.286 3.701 0.079 213 H GLY 25 HN GLY 25 -1.580 1.885 -1.891 214 1HA GLY 25 HA2 GLY 25 -4.036 0.853 -2.743 215 2HA GLY 25 HA1 GLY 25 -2.500 0.560 -3.559 216 H ALA 26 HN ALA 26 -1.062 -1.121 -2.297 217 HA ALA 26 HA ALA 26 -2.778 -3.519 -2.022 218 1HB ALA 26 HB1 ALA 26 -0.608 -3.452 -3.361 219 2HB ALA 26 HB3 ALA 26 0.236 -3.399 -1.813 220 3HB ALA 26 HB2 ALA 26 -0.766 -4.791 -2.224 221 H SER 27 HN SER 27 -2.318 -1.269 0.126 222 HA SER 27 HA SER 27 -1.370 -3.003 2.330 223 1HB SER 27 HB2 SER 27 -1.604 -0.080 1.947 224 2HB SER 27 HB1 SER 27 -1.642 -0.715 3.577 225 HG SER 27 HG SER 27 0.377 -1.466 3.341 226 H VAL 28 HN VAL 28 -4.064 -0.816 1.554 227 HA VAL 28 HA VAL 28 -5.553 -1.596 3.918 228 HB VAL 28 HB VAL 28 -7.096 -0.537 1.620 229 1HG1 VAL 28 HG13 VAL 28 -6.784 -0.083 4.573 230 2HG1 VAL 28 HG12 VAL 28 -7.566 1.150 3.588 231 3HG1 VAL 28 HG11 VAL 28 -8.237 -0.479 3.658 232 1HG2 VAL 28 HG22 VAL 28 -4.556 0.683 2.549 233 2HG2 VAL 28 HG21 VAL 28 -5.431 0.924 1.036 234 3HG2 VAL 28 HG23 VAL 28 -5.938 1.776 2.496 235 H ASN 29 HN ASN 29 -8.051 -2.290 3.255 236 HA ASN 29 HA ASN 29 -8.090 -5.017 2.891 237 1HB ASN 29 HB2 ASN 29 -10.034 -3.008 2.940 238 2HB ASN 29 HB1 ASN 29 -10.306 -3.838 1.412 239 1HD2 ASN 29 HD22 ASN 29 -10.598 -6.070 4.866 240 2HD2 ASN 29 HD21 ASN 29 -9.514 -4.764 4.822 241 H ASN 30 HN ASN 30 -8.853 -6.304 0.954 242 HA ASN 30 HA ASN 30 -7.066 -6.247 -1.169 243 1HB ASN 30 HB2 ASN 30 -8.984 -7.943 -0.587 244 2HB ASN 30 HB1 ASN 30 -9.936 -6.967 -1.706 245 1HD2 ASN 30 HD22 ASN 30 -8.577 -8.721 -4.430 246 2HD2 ASN 30 HD21 ASN 30 -9.943 -8.032 -3.693 247 H ASP 31 HN ASP 31 -9.827 -4.174 -0.630 248 HA ASP 31 HA ASP 31 -8.979 -2.510 -2.896 249 1HB ASP 31 HB2 ASP 31 -11.168 -2.512 -3.991 250 2HB ASP 31 HB1 ASP 31 -10.525 -4.154 -3.932 251 H GLU 32 HN GLU 32 -9.352 -2.313 0.131 252 HA GLU 32 HA GLU 32 -11.606 -0.647 0.673 253 1HB GLU 32 HB2 GLU 32 -10.545 -1.395 2.609 254 2HB GLU 32 HB1 GLU 32 -8.935 -0.996 2.011 255 1HG GLU 32 HG2 GLU 32 -9.132 1.227 2.604 256 2HG GLU 32 HG1 GLU 32 -10.875 1.248 2.346 257 H THR 33 HN THR 33 -8.328 0.695 0.855 258 HA THR 33 HA THR 33 -9.250 3.249 -0.193 259 HB THR 33 HB THR 33 -6.407 2.294 0.210 260 HG1 THR 33 HG1 THR 33 -8.286 3.497 1.945 261 1HG2 THR 33 HG23 THR 33 -6.840 4.354 -1.197 262 2HG2 THR 33 HG22 THR 33 -7.523 5.098 0.248 263 3HG2 THR 33 HG21 THR 33 -5.827 4.614 0.222 264 H CYS 34 HN CYS 34 -7.673 0.404 -1.470 265 HA CYS 34 HA CYS 34 -6.480 1.152 -3.846 266 1HB CYS 34 HB2 CYS 34 -7.168 -1.203 -2.926 267 2HB CYS 34 HB1 CYS 34 -8.628 -0.964 -3.884 268 H GLU 35 HN GLU 35 -9.943 1.024 -3.155 269 HA GLU 35 HA GLU 35 -10.599 2.138 -5.822 270 1HB GLU 35 HB2 GLU 35 -11.969 0.282 -4.960 271 2HB GLU 35 HB1 GLU 35 -12.398 1.251 -3.548 272 1HG GLU 35 HG2 GLU 35 -14.108 2.124 -4.718 273 2HG GLU 35 HG1 GLU 35 -12.939 2.858 -5.817 274 H GLN 36 HN GLN 36 -11.467 2.923 -2.423 275 HA GLN 36 HA GLN 36 -12.676 5.369 -2.725 276 1HB GLN 36 HB2 GLN 36 -12.125 4.298 -0.527 277 2HB GLN 36 HB1 GLN 36 -10.461 4.852 -0.717 278 1HG GLN 36 HG2 GLN 36 -11.216 7.182 -0.782 279 2HG GLN 36 HG1 GLN 36 -12.896 6.658 -0.669 280 1HE2 GLN 36 HE22 GLN 36 -11.938 7.469 2.798 281 2HE2 GLN 36 HE21 GLN 36 -12.249 8.308 1.355 282 H ARG 37 HN ARG 37 -9.324 4.630 -3.285 283 HA ARG 37 HA ARG 37 -8.719 7.473 -3.863 284 1HB ARG 37 HB2 ARG 37 -7.204 5.201 -2.873 285 2HB ARG 37 HB1 ARG 37 -6.421 5.915 -4.280 286 1HG ARG 37 HG2 ARG 37 -5.833 6.867 -1.940 287 2HG ARG 37 HG1 ARG 37 -6.176 8.005 -3.237 288 1HD ARG 37 HD2 ARG 37 -8.195 8.652 -2.327 289 2HD ARG 37 HD1 ARG 37 -8.480 7.077 -1.582 290 HE ARG 37 HE ARG 37 -6.315 8.072 -0.181 291 1HH1 ARG 37 HH21 ARG 37 -9.464 9.210 -1.027 292 2HH1 ARG 37 HH22 ARG 37 -9.640 10.174 0.400 293 1HH2 ARG 37 HH12 ARG 37 -6.535 9.324 1.684 294 2HH2 ARG 37 HH11 ARG 37 -7.984 10.238 1.934 295 H ALA 38 HN ALA 38 -8.556 4.214 -5.380 296 HA ALA 38 HA ALA 38 -7.588 5.093 -7.908 297 1HB ALA 38 HB3 ALA 38 -9.362 2.772 -7.125 298 2HB ALA 38 HB2 ALA 38 -8.813 3.024 -8.783 299 3HB ALA 38 HB1 ALA 38 -7.638 2.741 -7.498 300 H ALA 39 HN ALA 39 -10.997 4.341 -7.079 301 HA ALA 39 HA ALA 39 -12.068 5.542 -9.441 302 1HB ALA 39 HB1 ALA 39 -13.270 4.910 -6.739 303 2HB ALA 39 HB3 ALA 39 -14.218 5.621 -8.045 304 3HB ALA 39 HB2 ALA 39 -13.481 4.033 -8.255 305 H ARG 40 HN ARG 40 -13.003 6.836 -6.290 306 HA ARG 40 HA ARG 40 -13.483 9.448 -7.033 307 1HB ARG 40 HB2 ARG 40 -13.025 8.076 -4.574 308 2HB ARG 40 HB1 ARG 40 -12.086 9.570 -4.533 309 1HG ARG 40 HG2 ARG 40 -14.236 10.163 -3.699 310 2HG ARG 40 HG1 ARG 40 -14.209 10.746 -5.365 311 1HD ARG 40 HD2 ARG 40 -15.138 8.232 -5.768 312 2HD ARG 40 HD1 ARG 40 -15.789 8.543 -4.158 313 HE ARG 40 HE ARG 40 -16.434 10.829 -5.581 314 1HH1 ARG 40 HH21 ARG 40 -16.863 7.426 -5.988 315 2HH1 ARG 40 HH22 ARG 40 -18.345 7.588 -6.869 316 1HH2 ARG 40 HH12 ARG 40 -18.364 11.052 -6.729 317 2HH2 ARG 40 HH11 ARG 40 -19.193 9.638 -7.289 318 H ILE 41 HN ILE 41 -12.051 10.283 -8.594 319 HA ILE 41 HA ILE 41 -9.412 11.125 -7.515 320 HB ILE 41 HB ILE 41 -9.877 9.576 -10.072 321 1HG1 ILE 41 HG12 ILE 41 -7.955 9.294 -7.741 322 2HG1 ILE 41 HG11 ILE 41 -9.347 8.262 -8.072 323 1HG2 ILE 41 HG23 ILE 41 -7.663 11.483 -9.337 324 2HG2 ILE 41 HG22 ILE 41 -7.347 10.109 -10.393 325 3HG2 ILE 41 HG21 ILE 41 -8.523 11.333 -10.868 326 1HD1 ILE 41 HD12 ILE 41 -8.308 7.665 -10.276 327 2HD1 ILE 41 HD11 ILE 41 -6.877 8.576 -9.800 328 3HD1 ILE 41 HD13 ILE 41 -7.352 7.142 -8.891 329 H SER 42 HN SER 42 -10.625 13.199 -7.409 330 HA SER 42 HA SER 42 -11.704 14.447 -9.763 331 1HB SER 42 HB2 SER 42 -11.259 15.156 -7.001 332 2HB SER 42 HB1 SER 42 -10.705 16.466 -8.040 333 HG SER 42 HG SER 42 -13.207 15.727 -7.435 334 H LEU 43 HN LEU 43 -8.583 14.894 -8.084 335 HA LEU 43 HA LEU 43 -7.412 15.705 -10.712 336 1HB LEU 43 HB2 LEU 43 -5.948 17.283 -9.479 337 2HB LEU 43 HB1 LEU 43 -7.651 17.697 -9.275 338 HG LEU 43 HG LEU 43 -7.468 16.134 -7.159 339 1HD1 LEU 43 HD11 LEU 43 -4.663 16.579 -8.011 340 2HD1 LEU 43 HD13 LEU 43 -4.987 16.827 -6.295 341 3HD1 LEU 43 HD12 LEU 43 -5.354 15.274 -7.047 342 1HD2 LEU 43 HD22 LEU 43 -7.213 18.930 -7.645 343 2HD2 LEU 43 HD21 LEU 43 -7.781 18.137 -6.176 344 3HD2 LEU 43 HD23 LEU 43 -6.068 18.513 -6.369 345 H GLY 44 HN GLY 44 -7.551 13.243 -8.766 346 1HA GLY 44 HA2 GLY 44 -6.071 11.617 -7.931 347 2HA GLY 44 HA1 GLY 44 -5.271 11.872 -9.479 348 HA PRO 45 HA PRO 45 -3.339 14.744 -5.804 349 1HB PRO 45 HB2 PRO 45 -3.120 12.526 -3.929 350 2HB PRO 45 HB1 PRO 45 -3.764 14.150 -3.660 351 1HG PRO 45 HG2 PRO 45 -5.227 11.728 -3.911 352 2HG PRO 45 HG1 PRO 45 -5.871 13.365 -3.749 353 1HD PRO 45 HD2 PRO 45 -6.033 11.683 -6.022 354 2HD PRO 45 HD1 PRO 45 -6.516 13.380 -5.912 355 H ARG 46 HN ARG 46 -2.695 11.231 -5.516 356 HA ARG 46 HA ARG 46 -0.506 11.154 -7.323 357 1HB ARG 46 HB2 ARG 46 0.399 12.751 -5.531 358 2HB ARG 46 HB1 ARG 46 0.438 11.352 -4.458 359 1HG ARG 46 HG2 ARG 46 2.597 11.358 -5.386 360 2HG ARG 46 HG1 ARG 46 1.738 10.194 -6.395 361 1HD ARG 46 HD2 ARG 46 2.647 11.493 -8.065 362 2HD ARG 46 HD1 ARG 46 1.168 12.413 -7.785 363 HE ARG 46 HE ARG 46 2.977 13.524 -6.008 364 1HH1 ARG 46 HH21 ARG 46 2.905 12.840 -9.394 365 2HH1 ARG 46 HH22 ARG 46 3.922 14.176 -9.816 366 1HH2 ARG 46 HH12 ARG 46 4.304 15.268 -6.549 367 2HH2 ARG 46 HH11 ARG 46 4.713 15.549 -8.209 368 H CYS 47 HN CYS 47 -1.428 9.971 -4.062 369 HA CYS 47 HA CYS 47 -0.347 7.377 -4.419 370 1HB CYS 47 HB2 CYS 47 -2.828 7.918 -2.771 371 2HB CYS 47 HB1 CYS 47 -1.648 6.661 -2.519 372 H ILE 48 HN ILE 48 -3.288 8.798 -5.627 373 HA ILE 48 HA ILE 48 -4.570 6.293 -6.147 374 HB ILE 48 HB ILE 48 -5.888 7.669 -7.851 375 1HG1 ILE 48 HG12 ILE 48 -5.280 10.249 -7.006 376 2HG1 ILE 48 HG11 ILE 48 -3.702 9.522 -7.267 377 1HG2 ILE 48 HG21 ILE 48 -6.467 7.375 -5.404 378 2HG2 ILE 48 HG23 ILE 48 -5.685 8.926 -5.109 379 3HG2 ILE 48 HG22 ILE 48 -7.109 8.839 -6.145 380 1HD1 ILE 48 HD12 ILE 48 -4.953 8.623 -9.477 381 2HD1 ILE 48 HD11 ILE 48 -5.855 10.117 -9.227 382 3HD1 ILE 48 HD13 ILE 48 -4.104 10.168 -9.430 383 H LYS 49 HN LYS 49 -2.888 8.471 -8.506 384 HA LYS 49 HA LYS 49 -2.849 6.571 -10.602 385 1HB LYS 49 HB2 LYS 49 -1.646 9.115 -10.060 386 2HB LYS 49 HB1 LYS 49 -0.401 8.032 -10.686 387 1HG LYS 49 HG2 LYS 49 -2.773 7.598 -12.213 388 2HG LYS 49 HG1 LYS 49 -2.494 9.339 -12.135 389 1HD LYS 49 HD2 LYS 49 -0.145 7.570 -12.674 390 2HD LYS 49 HD1 LYS 49 -1.298 7.835 -13.983 391 1HE LYS 49 HE2 LYS 49 -0.601 9.962 -14.298 392 2HE LYS 49 HE1 LYS 49 -0.626 10.306 -12.569 393 1HZ LYS 49 HZ1 LYS 49 1.483 8.977 -12.437 394 2HZ LYS 49 HZ3 LYS 49 1.533 9.017 -14.133 395 3HZ LYS 49 HZ2 LYS 49 1.607 10.465 -13.249 396 H ALA 50 HN ALA 50 -0.133 7.332 -8.375 397 HA ALA 50 HA ALA 50 1.582 5.209 -9.095 398 1HB ALA 50 HB1 ALA 50 2.162 6.999 -7.446 399 2HB ALA 50 HB3 ALA 50 1.096 6.212 -6.280 400 3HB ALA 50 HB2 ALA 50 2.532 5.375 -6.863 401 H PHE 51 HN PHE 51 -0.505 5.250 -6.280 402 HA PHE 51 HA PHE 51 -0.203 2.476 -5.884 403 1HB PHE 51 HB2 PHE 51 -1.102 2.940 -3.934 404 2HB PHE 51 HB1 PHE 51 -1.080 4.608 -4.393 405 HD1 PHE 51 HD1 PHE 51 -3.454 4.275 -6.461 406 HD2 PHE 51 HD2 PHE 51 -2.900 3.132 -2.385 407 HE1 PHE 51 HE1 PHE 51 -5.896 4.274 -6.128 408 HE2 PHE 51 HE2 PHE 51 -5.346 3.148 -2.047 409 HZ PHE 51 HZ PHE 51 -6.846 3.714 -3.927 410 H THR 52 HN THR 52 -1.965 3.975 -8.270 411 HA THR 52 HA THR 52 -4.286 2.163 -8.223 412 HB THR 52 HB THR 52 -3.365 4.402 -10.011 413 HG1 THR 52 HG1 THR 52 -5.425 5.112 -9.558 414 1HG2 THR 52 HG23 THR 52 -5.403 2.293 -10.790 415 2HG2 THR 52 HG22 THR 52 -5.165 3.825 -11.632 416 3HG2 THR 52 HG21 THR 52 -3.877 2.620 -11.610 417 H GLU 53 HN GLU 53 -1.331 2.675 -10.128 418 HA GLU 53 HA GLU 53 -1.783 0.215 -11.663 419 1HB GLU 53 HB2 GLU 53 -0.208 2.441 -12.045 420 2HB GLU 53 HB1 GLU 53 0.974 1.255 -11.493 421 1HG GLU 53 HG2 GLU 53 0.695 1.223 -13.968 422 2HG GLU 53 HG1 GLU 53 0.251 -0.316 -13.228 423 H CYS 54 HN CYS 54 -0.179 1.208 -8.737 424 HA CYS 54 HA CYS 54 1.324 -1.257 -8.350 425 1HB CYS 54 HB2 CYS 54 2.280 0.559 -7.259 426 2HB CYS 54 HB1 CYS 54 0.723 1.218 -6.740 427 H CYS 55 HN CYS 55 -1.761 0.036 -7.193 428 HA CYS 55 HA CYS 55 -2.263 -2.231 -5.442 429 1HB CYS 55 HB2 CYS 55 -3.261 0.089 -5.136 430 2HB CYS 55 HB1 CYS 55 -4.333 -0.268 -6.485 431 H VAL 56 HN VAL 56 -3.211 -1.281 -8.721 432 HA VAL 56 HA VAL 56 -5.042 -3.463 -9.122 433 HB VAL 56 HB VAL 56 -4.757 -2.979 -11.540 434 1HG1 VAL 56 HG12 VAL 56 -5.155 -0.736 -9.574 435 2HG1 VAL 56 HG11 VAL 56 -5.251 -0.424 -11.308 436 3HG1 VAL 56 HG13 VAL 56 -6.356 -1.575 -10.555 437 1HG2 VAL 56 HG22 VAL 56 -2.462 -1.347 -10.472 438 2HG2 VAL 56 HG21 VAL 56 -2.478 -2.474 -11.828 439 3HG2 VAL 56 HG23 VAL 56 -3.251 -0.898 -11.983 440 H VAL 57 HN VAL 57 -1.593 -3.013 -10.066 441 HA VAL 57 HA VAL 57 -1.215 -5.625 -11.110 442 HB VAL 57 HB VAL 57 0.561 -4.028 -11.370 443 1HG1 VAL 57 HG11 VAL 57 -0.165 -3.132 -8.895 444 2HG1 VAL 57 HG13 VAL 57 1.352 -3.949 -8.527 445 3HG1 VAL 57 HG12 VAL 57 1.309 -2.655 -9.723 446 1HG2 VAL 57 HG22 VAL 57 1.051 -6.559 -10.687 447 2HG2 VAL 57 HG21 VAL 57 2.368 -5.405 -10.903 448 3HG2 VAL 57 HG23 VAL 57 1.787 -5.788 -9.281 449 H ALA 58 HN ALA 58 -0.740 -4.449 -7.758 450 HA ALA 58 HA ALA 58 0.052 -6.808 -6.522 451 1HB ALA 58 HB1 ALA 58 -0.516 -4.406 -5.560 452 2HB ALA 58 HB3 ALA 58 -2.060 -5.169 -5.178 453 3HB ALA 58 HB2 ALA 58 -0.564 -5.825 -4.514 454 H SER 59 HN SER 59 -3.352 -5.762 -6.823 455 HA SER 59 HA SER 59 -4.416 -8.284 -5.948 456 1HB SER 59 HB2 SER 59 -6.177 -6.888 -7.787 457 2HB SER 59 HB1 SER 59 -6.379 -7.185 -6.061 458 HG SER 59 HG SER 59 -6.167 -5.033 -6.170 459 H GLN 60 HN GLN 60 -4.804 -6.891 -9.186 460 HA GLN 60 HA GLN 60 -5.642 -8.917 -10.705 461 1HB GLN 60 HB2 GLN 60 -4.749 -6.681 -11.525 462 2HB GLN 60 HB1 GLN 60 -3.153 -7.430 -11.562 463 1HG GLN 60 HG2 GLN 60 -3.731 -8.029 -13.679 464 2HG GLN 60 HG1 GLN 60 -4.650 -9.305 -12.878 465 1HE2 GLN 60 HE22 GLN 60 -7.222 -7.786 -14.943 466 2HE2 GLN 60 HE21 GLN 60 -5.967 -8.924 -15.037 467 H LEU 61 HN LEU 61 -2.072 -8.668 -10.187 468 HA LEU 61 HA LEU 61 -1.694 -11.356 -11.166 469 1HB LEU 61 HB2 LEU 61 0.225 -10.235 -9.191 470 2HB LEU 61 HB1 LEU 61 0.530 -11.170 -10.643 471 HG LEU 61 HG LEU 61 0.250 -8.272 -10.275 472 1HD1 LEU 61 HD12 LEU 61 2.341 -9.652 -10.823 473 2HD1 LEU 61 HD11 LEU 61 1.671 -9.789 -12.448 474 3HD1 LEU 61 HD13 LEU 61 2.060 -8.201 -11.786 475 1HD2 LEU 61 HD22 LEU 61 -1.219 -9.754 -12.368 476 2HD2 LEU 61 HD21 LEU 61 -1.429 -8.089 -11.828 477 3HD2 LEU 61 HD23 LEU 61 -0.167 -8.485 -12.992 478 H ARG 62 HN ARG 62 -1.712 -10.014 -7.858 479 HA ARG 62 HA ARG 62 -1.249 -12.190 -6.307 480 1HB ARG 62 HB2 ARG 62 -3.182 -9.962 -6.063 481 2HB ARG 62 HB1 ARG 62 -3.550 -11.368 -5.066 482 1HG ARG 62 HG2 ARG 62 -1.014 -11.267 -4.432 483 2HG ARG 62 HG1 ARG 62 -1.112 -9.607 -5.011 484 1HD ARG 62 HD2 ARG 62 -2.293 -8.932 -3.208 485 2HD ARG 62 HD1 ARG 62 -3.352 -10.339 -3.263 486 HE ARG 62 HE ARG 62 -1.219 -9.971 -1.434 487 1HH1 ARG 62 HH21 ARG 62 -2.379 -12.375 -3.643 488 2HH1 ARG 62 HH22 ARG 62 -1.485 -13.656 -2.899 489 1HH2 ARG 62 HH12 ARG 62 -0.080 -11.640 -0.461 490 2HH2 ARG 62 HH11 ARG 62 -0.196 -13.245 -1.102 491 H ALA 63 HN ALA 63 -4.171 -11.740 -8.259 492 HA ALA 63 HA ALA 63 -5.555 -14.083 -7.347 493 1HB ALA 63 HB1 ALA 63 -6.111 -12.089 -9.164 494 2HB ALA 63 HB3 ALA 63 -5.793 -13.460 -10.226 495 3HB ALA 63 HB2 ALA 63 -7.053 -13.571 -8.997 496 H ASN 64 HN ASN 64 -3.545 -13.569 -10.262 497 HA ASN 64 HA ASN 64 -2.512 -16.349 -9.926 498 1HB ASN 64 HB2 ASN 64 -4.258 -15.428 -12.029 499 2HB ASN 64 HB1 ASN 64 -2.693 -15.873 -12.710 500 1HD2 ASN 64 HD22 ASN 64 -5.192 -18.803 -11.729 501 2HD2 ASN 64 HD21 ASN 64 -5.655 -17.191 -11.989 502 H ILE 65 HN ILE 65 -0.855 -14.516 -9.048 503 HA ILE 65 HA ILE 65 0.639 -12.973 -10.927 504 HB ILE 65 HB ILE 65 2.360 -14.088 -8.830 505 1HG1 ILE 65 HG12 ILE 65 -0.282 -12.835 -8.066 506 2HG1 ILE 65 HG11 ILE 65 0.328 -14.411 -7.563 507 1HG2 ILE 65 HG21 ILE 65 2.142 -11.733 -10.241 508 2HG2 ILE 65 HG23 ILE 65 1.475 -11.280 -8.675 509 3HG2 ILE 65 HG22 ILE 65 3.101 -11.932 -8.780 510 1HD1 ILE 65 HD12 ILE 65 2.309 -12.483 -6.885 511 2HD1 ILE 65 HD11 ILE 65 0.758 -11.855 -6.327 512 3HD1 ILE 65 HD13 ILE 65 1.313 -13.439 -5.788 513 H SER 66 HN SER 66 1.041 -14.162 -12.809 514 HA SER 66 HA SER 66 3.454 -15.668 -12.918 515 1HB SER 66 HB2 SER 66 1.221 -17.193 -12.036 516 2HB SER 66 HB1 SER 66 1.566 -17.692 -13.690 517 HG SER 66 HG SER 66 3.058 -18.832 -12.714 518 H HIS 67 HN HIS 67 0.304 -14.958 -14.333 519 HA HIS 67 HA HIS 67 1.002 -15.685 -17.033 520 1HB HIS 67 HB2 HIS 67 -1.346 -15.359 -16.180 521 2HB HIS 67 HB1 HIS 67 -1.032 -13.624 -16.144 522 HD1 HIS 67 HD1 HIS 67 -1.022 -12.370 -18.370 523 HD2 HIS 67 HD2 HIS 67 -1.395 -16.495 -18.843 524 HE1 HIS 67 HE1 HIS 67 -1.592 -12.763 -20.806 525 H LYS 68 HN LYS 68 0.486 -12.417 -15.702 526 HA LYS 68 HA LYS 68 2.900 -11.504 -17.180 527 1HB LYS 68 HB2 LYS 68 1.648 -9.533 -18.029 528 2HB LYS 68 HB1 LYS 68 0.997 -11.044 -18.666 529 1HG LYS 68 HG2 LYS 68 -1.017 -10.476 -17.843 530 2HG LYS 68 HG1 LYS 68 -0.340 -10.570 -16.216 531 1HD LYS 68 HD2 LYS 68 -0.399 -8.331 -15.992 532 2HD LYS 68 HD1 LYS 68 0.471 -8.108 -17.511 533 1HE LYS 68 HE2 LYS 68 -1.547 -7.101 -18.047 534 2HE LYS 68 HE1 LYS 68 -1.877 -8.755 -18.564 535 1HZ LYS 68 HZ3 LYS 68 -2.453 -7.926 -15.798 536 2HZ LYS 68 HZ2 LYS 68 -3.552 -7.559 -17.040 537 3HZ LYS 68 HZ1 LYS 68 -3.151 -9.176 -16.707 538 H ASP 69 HN ASP 69 2.941 -8.884 -16.588 539 HA ASP 69 HA ASP 69 2.259 -8.553 -13.724 540 1HB ASP 69 HB2 ASP 69 4.501 -9.511 -13.648 541 2HB ASP 69 HB1 ASP 69 5.076 -8.328 -14.825 542 H MET 70 HN MET 70 2.495 -6.278 -13.034 543 HA MET 70 HA MET 70 2.643 -4.356 -15.311 544 1HB MET 70 HB2 MET 70 0.249 -5.093 -14.256 545 2HB MET 70 HB1 MET 70 0.661 -3.755 -13.187 546 1HG MET 70 HG2 MET 70 -0.191 -2.434 -14.822 547 2HG MET 70 HG1 MET 70 1.335 -2.739 -15.654 548 1HE MET 70 HE3 MET 70 -2.081 -2.421 -15.950 549 2HE MET 70 HE2 MET 70 -1.213 -1.956 -17.411 550 3HE MET 70 HE1 MET 70 -2.471 -3.186 -17.497 551 H CYS 71 HN CYS 71 1.751 -2.279 -13.228 552 HA CYS 71 HA CYS 71 4.340 -1.390 -12.453 553 1HB CYS 71 HB2 CYS 71 1.527 -0.657 -11.753 554 2HB CYS 71 HB1 CYS 71 2.815 -0.030 -10.721 555 1H CYS 72 HN3 CYS 72 3.652 4.352 -12.322 556 2H CYS 72 HN2 CYS 72 2.247 3.396 -12.324 557 3H CYS 72 HN1 CYS 72 2.185 5.001 -11.772 558 HA CYS 72 HA CYS 72 2.165 3.580 -9.873 559 1HB CYS 72 HB2 CYS 72 4.594 2.346 -9.755 560 2HB CYS 72 HB1 CYS 72 3.078 1.565 -10.160 561 H LEU 73 HN LEU 73 5.601 3.841 -10.592 562 HA LEU 73 HA LEU 73 6.446 5.116 -8.344 563 1HB LEU 73 HB2 LEU 73 8.208 6.293 -9.800 564 2HB LEU 73 HB1 LEU 73 8.143 4.538 -9.877 565 HG LEU 73 HG LEU 73 8.298 5.946 -12.090 566 1HD1 LEU 73 HD12 LEU 73 7.277 3.395 -11.414 567 2HD1 LEU 73 HD11 LEU 73 6.202 4.060 -12.645 568 3HD1 LEU 73 HD13 LEU 73 7.932 3.920 -12.966 569 1HD2 LEU 73 HD21 LEU 73 6.312 7.369 -11.500 570 2HD2 LEU 73 HD23 LEU 73 6.165 6.557 -13.057 571 3HD2 LEU 73 HD22 LEU 73 5.297 5.936 -11.656 572 H GLY 74 HN GLY 74 7.038 7.428 -7.903 573 1HA GLY 74 HA2 GLY 74 5.273 9.395 -9.268 574 2HA GLY 74 HA1 GLY 74 5.137 9.224 -7.518 575 1HN DAR 75 HN ARG 75 5.862 11.683 -8.507 576 HA DAR 75 HA ARG 75 8.658 12.130 -8.839 577 1HB DAR 75 HB1 ARG 75 8.314 11.196 -6.355 578 2HB DAR 75 HB2 ARG 75 7.917 12.886 -6.046 579 1HG DAR 75 HG1 ARG 75 10.062 13.589 -7.004 580 2HG DAR 75 HG2 ARG 75 10.450 11.915 -7.404 581 1HD DAR 75 HD1 ARG 75 11.089 11.443 -5.277 582 2HD DAR 75 HD2 ARG 75 9.698 12.284 -4.598 583 HNE DAR 75 HE ARG 75 11.158 14.014 -4.090 584 1HH1 DAR 75 HH11 ARG 75 12.649 15.610 -4.602 585 2HH1 DAR 75 HH12 ARG 75 13.591 15.471 -6.049 586 1HH2 DAR 75 HH21 ARG 75 12.187 12.457 -7.008 587 2HH2 DAR 75 HH22 ARG 75 13.321 13.699 -7.407 No H/Q in entry = 587 Start of MODEL 14 1 1H MET 1 HN1 MET 1 11.083 -14.200 3.029 2 2H MET 1 HN3 MET 1 11.692 -12.634 3.254 3 3H MET 1 HN2 MET 1 12.750 -13.963 3.266 4 HA MET 1 HA MET 1 12.305 -14.499 5.383 5 1HB MET 1 HB2 MET 1 12.677 -11.916 5.180 6 2HB MET 1 HB1 MET 1 10.967 -11.812 5.602 7 1HG MET 1 HG2 MET 1 11.865 -11.798 7.727 8 2HG MET 1 HG1 MET 1 11.721 -13.540 7.498 9 1HE MET 1 HE1 MET 1 12.956 -14.136 9.028 10 2HE MET 1 HE3 MET 1 14.439 -14.892 8.431 11 3HE MET 1 HE2 MET 1 14.528 -13.532 9.547 12 H LEU 2 HN LEU 2 9.492 -13.390 3.624 13 HA LEU 2 HA LEU 2 7.790 -15.401 4.687 14 1HB LEU 2 HB2 LEU 2 6.260 -13.699 5.958 15 2HB LEU 2 HB1 LEU 2 7.664 -14.370 6.788 16 HG LEU 2 HG LEU 2 8.950 -12.323 5.901 17 1HD1 LEU 2 HD12 LEU 2 6.363 -11.878 4.739 18 2HD1 LEU 2 HD11 LEU 2 6.704 -10.575 5.877 19 3HD1 LEU 2 HD13 LEU 2 7.826 -10.910 4.559 20 1HD2 LEU 2 HD21 LEU 2 7.340 -12.743 8.195 21 2HD2 LEU 2 HD23 LEU 2 8.699 -11.630 8.030 22 3HD2 LEU 2 HD22 LEU 2 7.061 -11.077 7.688 23 H GLN 3 HN GLN 3 8.105 -12.209 3.244 24 HA GLN 3 HA GLN 3 6.259 -12.942 1.119 25 1HB GLN 3 HB2 GLN 3 5.034 -11.908 3.352 26 2HB GLN 3 HB1 GLN 3 5.311 -10.458 2.387 27 1HG GLN 3 HG2 GLN 3 3.781 -11.064 0.828 28 2HG GLN 3 HG1 GLN 3 4.327 -12.741 0.819 29 1HE2 GLN 3 HE22 GLN 3 2.192 -13.552 3.710 30 2HE2 GLN 3 HE21 GLN 3 3.812 -13.761 3.245 31 H LYS 4 HN LYS 4 7.441 -12.179 -0.570 32 HA LYS 4 HA LYS 4 8.401 -9.358 -0.424 33 1HB LYS 4 HB2 LYS 4 10.068 -11.421 -1.824 34 2HB LYS 4 HB1 LYS 4 10.562 -9.887 -1.109 35 1HG LYS 4 HG2 LYS 4 11.327 -11.220 0.579 36 2HG LYS 4 HG1 LYS 4 9.644 -11.176 1.100 37 1HD LYS 4 HD2 LYS 4 9.762 -13.442 0.976 38 2HD LYS 4 HD1 LYS 4 9.594 -13.193 -0.763 39 1HE LYS 4 HE2 LYS 4 12.073 -13.755 0.836 40 2HE LYS 4 HE1 LYS 4 11.526 -14.498 -0.667 41 1HZ LYS 4 HZ2 LYS 4 11.818 -12.101 -1.578 42 2HZ LYS 4 HZ1 LYS 4 12.860 -11.915 -0.248 43 3HZ LYS 4 HZ3 LYS 4 13.173 -13.112 -1.409 44 H LYS 5 HN LYS 5 6.124 -9.627 -1.672 45 HA LYS 5 HA LYS 5 6.725 -10.130 -4.553 46 1HB LYS 5 HB2 LYS 5 4.075 -10.018 -3.082 47 2HB LYS 5 HB1 LYS 5 4.249 -10.268 -4.820 48 1HG LYS 5 HG2 LYS 5 5.348 -12.062 -2.635 49 2HG LYS 5 HG1 LYS 5 3.991 -12.429 -3.700 50 1HD LYS 5 HD2 LYS 5 6.872 -11.996 -4.541 51 2HD LYS 5 HD1 LYS 5 5.994 -13.526 -4.557 52 1HE LYS 5 HE2 LYS 5 4.291 -12.087 -6.040 53 2HE LYS 5 HE1 LYS 5 5.767 -11.191 -6.401 54 1HZ LYS 5 HZ3 LYS 5 5.908 -14.104 -6.499 55 2HZ LYS 5 HZ2 LYS 5 5.061 -13.328 -7.751 56 3HZ LYS 5 HZ1 LYS 5 6.692 -12.948 -7.460 57 H ILE 6 HN ILE 6 3.942 -8.245 -3.646 58 HA ILE 6 HA ILE 6 4.974 -5.980 -5.176 59 HB ILE 6 HB ILE 6 2.379 -6.702 -3.860 60 1HG1 ILE 6 HG12 ILE 6 3.110 -7.165 -6.301 61 2HG1 ILE 6 HG11 ILE 6 1.517 -6.456 -6.048 62 1HG2 ILE 6 HG22 ILE 6 3.187 -3.892 -4.660 63 2HG2 ILE 6 HG21 ILE 6 1.518 -4.401 -4.407 64 3HG2 ILE 6 HG23 ILE 6 2.662 -4.431 -3.066 65 1HD1 ILE 6 HD12 ILE 6 3.862 -4.624 -6.416 66 2HD1 ILE 6 HD11 ILE 6 3.177 -5.417 -7.833 67 3HD1 ILE 6 HD13 ILE 6 2.169 -4.368 -6.836 68 H GLU 7 HN GLU 7 5.383 -7.014 -2.024 69 HA GLU 7 HA GLU 7 5.092 -4.728 -0.416 70 1HB GLU 7 HB2 GLU 7 6.163 -7.242 -0.065 71 2HB GLU 7 HB1 GLU 7 7.587 -6.208 0.076 72 1HG GLU 7 HG2 GLU 7 6.764 -5.094 1.941 73 2HG GLU 7 HG1 GLU 7 5.082 -5.416 1.520 74 H GLU 8 HN GLU 8 8.297 -5.732 -1.673 75 HA GLU 8 HA GLU 8 9.341 -3.055 -1.412 76 1HB GLU 8 HB2 GLU 8 11.251 -3.963 -2.807 77 2HB GLU 8 HB1 GLU 8 10.887 -4.929 -1.377 78 1HG GLU 8 HG2 GLU 8 9.680 -6.553 -2.683 79 2HG GLU 8 HG1 GLU 8 9.744 -5.527 -4.117 80 H ILE 9 HN ILE 9 7.697 -4.774 -4.013 81 HA ILE 9 HA ILE 9 8.383 -3.088 -6.189 82 HB ILE 9 HB ILE 9 5.674 -4.296 -5.512 83 1HG1 ILE 9 HG12 ILE 9 7.918 -5.268 -7.314 84 2HG1 ILE 9 HG11 ILE 9 7.517 -5.944 -5.735 85 1HG2 ILE 9 HG23 ILE 9 5.693 -2.387 -7.191 86 2HG2 ILE 9 HG22 ILE 9 6.716 -3.400 -8.211 87 3HG2 ILE 9 HG21 ILE 9 5.078 -3.921 -7.809 88 1HD1 ILE 9 HD13 ILE 9 5.137 -5.797 -7.353 89 2HD1 ILE 9 HD12 ILE 9 6.400 -6.651 -8.238 90 3HD1 ILE 9 HD11 ILE 9 5.902 -7.218 -6.644 91 H ALA 10 HN ALA 10 6.407 -2.666 -3.373 92 HA ALA 10 HA ALA 10 5.409 -0.015 -4.203 93 1HB ALA 10 HB3 ALA 10 5.161 -1.543 -1.586 94 2HB ALA 10 HB2 ALA 10 4.351 -0.021 -1.950 95 3HB ALA 10 HB1 ALA 10 3.939 -1.476 -2.855 96 H ALA 11 HN ALA 11 7.859 -1.531 -2.214 97 HA ALA 11 HA ALA 11 8.689 0.656 -0.647 98 1HB ALA 11 HB1 ALA 11 10.372 -1.549 -1.839 99 2HB ALA 11 HB3 ALA 11 10.895 -0.462 -0.552 100 3HB ALA 11 HB2 ALA 11 9.564 -1.586 -0.272 101 H LYS 12 HN LYS 12 9.164 -0.025 -4.034 102 HA LYS 12 HA LYS 12 11.302 1.966 -4.339 103 1HB LYS 12 HB2 LYS 12 9.848 0.087 -6.175 104 2HB LYS 12 HB1 LYS 12 10.784 1.420 -6.852 105 1HG LYS 12 HG2 LYS 12 12.629 0.154 -6.613 106 2HG LYS 12 HG1 LYS 12 12.426 0.291 -4.866 107 1HD LYS 12 HD2 LYS 12 12.417 -2.028 -5.169 108 2HD LYS 12 HD1 LYS 12 10.693 -1.653 -5.187 109 1HE LYS 12 HE2 LYS 12 12.356 -1.759 -7.710 110 2HE LYS 12 HE1 LYS 12 11.516 -3.170 -7.068 111 1HZ LYS 12 HZ3 LYS 12 9.480 -1.663 -7.045 112 2HZ LYS 12 HZ2 LYS 12 10.367 -0.641 -8.073 113 3HZ LYS 12 HZ1 LYS 12 10.014 -2.232 -8.551 114 H TYR 13 HN TYR 13 7.857 1.988 -4.401 115 HA TYR 13 HA TYR 13 7.444 4.099 -6.291 116 1HB TYR 13 HB2 TYR 13 5.846 3.128 -3.902 117 2HB TYR 13 HB1 TYR 13 5.317 4.510 -4.846 118 HD1 TYR 13 HD1 TYR 13 6.995 1.374 -5.890 119 HD2 TYR 13 HD2 TYR 13 3.422 3.769 -6.187 120 HE1 TYR 13 HE1 TYR 13 6.106 -0.169 -7.595 121 HE2 TYR 13 HE2 TYR 13 2.573 2.238 -7.902 122 HH TYR 13 HH TYR 13 3.008 -0.357 -8.441 123 H LYS 14 HN LYS 14 8.970 5.671 -6.046 124 HA LYS 14 HA LYS 14 10.464 7.005 -4.579 125 1HB LYS 14 HB2 LYS 14 8.323 8.104 -6.098 126 2HB LYS 14 HB1 LYS 14 8.517 9.082 -4.643 127 1HG LYS 14 HG2 LYS 14 10.045 10.050 -6.150 128 2HG LYS 14 HG1 LYS 14 11.055 8.983 -5.175 129 1HD LYS 14 HD2 LYS 14 10.088 7.354 -7.238 130 2HD LYS 14 HD1 LYS 14 10.502 8.879 -8.024 131 1HE LYS 14 HE2 LYS 14 12.747 8.743 -7.409 132 2HE LYS 14 HE1 LYS 14 12.412 7.678 -6.044 133 1HZ LYS 14 HZ2 LYS 14 11.803 5.938 -7.652 134 2HZ LYS 14 HZ1 LYS 14 12.273 6.964 -8.922 135 3HZ LYS 14 HZ3 LYS 14 13.424 6.425 -7.799 136 H HIS 15 HN HIS 15 10.835 6.788 -2.453 137 HA HIS 15 HA HIS 15 8.953 6.503 -0.386 138 1HB HIS 15 HB2 HIS 15 10.781 7.237 1.135 139 2HB HIS 15 HB1 HIS 15 11.334 6.055 -0.049 140 HD1 HIS 15 HD1 HIS 15 13.234 8.174 1.314 141 HD2 HIS 15 HD2 HIS 15 11.512 8.582 -2.462 142 HE1 HIS 15 HE1 HIS 15 14.691 9.798 0.032 143 H SER 16 HN SER 16 9.849 9.356 -2.137 144 HA SER 16 HA SER 16 9.423 11.457 -0.391 145 1HB SER 16 HB2 SER 16 9.625 11.305 -3.075 146 2HB SER 16 HB1 SER 16 7.897 11.626 -2.940 147 HG SER 16 HG SER 16 10.034 13.262 -2.490 148 H VAL 17 HN VAL 17 6.838 9.737 -2.143 149 HA VAL 17 HA VAL 17 5.065 9.868 0.165 150 HB VAL 17 HB VAL 17 3.314 11.126 -1.382 151 1HG1 VAL 17 HG12 VAL 17 4.748 11.783 0.843 152 2HG1 VAL 17 HG11 VAL 17 5.276 13.043 -0.272 153 3HG1 VAL 17 HG13 VAL 17 3.561 12.848 0.092 154 1HG2 VAL 17 HG22 VAL 17 6.022 12.035 -2.395 155 2HG2 VAL 17 HG21 VAL 17 4.688 11.379 -3.344 156 3HG2 VAL 17 HG23 VAL 17 4.547 12.977 -2.611 157 H VAL 18 HN VAL 18 5.338 9.445 -3.342 158 HA VAL 18 HA VAL 18 3.106 7.818 -3.844 159 HB VAL 18 HB VAL 18 4.599 8.610 -5.616 160 1HG1 VAL 18 HG11 VAL 18 6.526 6.972 -4.027 161 2HG1 VAL 18 HG13 VAL 18 6.791 7.124 -5.761 162 3HG1 VAL 18 HG12 VAL 18 6.751 8.564 -4.741 163 1HG2 VAL 18 HG21 VAL 18 3.612 5.949 -5.351 164 2HG2 VAL 18 HG23 VAL 18 3.909 6.842 -6.840 165 3HG2 VAL 18 HG22 VAL 18 5.185 5.849 -6.141 166 H LYS 19 HN LYS 19 5.920 7.100 -1.955 167 HA LYS 19 HA LYS 19 5.889 4.241 -2.262 168 1HB LYS 19 HB2 LYS 19 7.874 4.912 -1.310 169 2HB LYS 19 HB1 LYS 19 7.116 6.212 -0.401 170 1HG LYS 19 HG2 LYS 19 6.799 4.883 1.426 171 2HG LYS 19 HG1 LYS 19 6.272 3.514 0.449 172 1HD LYS 19 HD2 LYS 19 8.316 2.573 0.493 173 2HD LYS 19 HD1 LYS 19 9.100 4.091 0.054 174 1HE LYS 19 HE2 LYS 19 9.349 4.760 2.275 175 2HE LYS 19 HE1 LYS 19 8.017 3.746 2.832 176 1HZ LYS 19 HZ3 LYS 19 9.381 1.791 2.359 177 2HZ LYS 19 HZ2 LYS 19 10.669 2.795 1.892 178 3HZ LYS 19 HZ1 LYS 19 10.120 2.806 3.500 179 H LYS 20 HN LYS 20 5.148 5.782 0.867 180 HA LYS 20 HA LYS 20 3.525 3.796 1.909 181 1HB LYS 20 HB2 LYS 20 3.371 6.797 2.191 182 2HB LYS 20 HB1 LYS 20 2.258 5.742 3.061 183 1HG LYS 20 HG2 LYS 20 4.610 4.502 3.608 184 2HG LYS 20 HG1 LYS 20 5.164 6.171 3.470 185 1HD LYS 20 HD2 LYS 20 3.561 6.903 5.137 186 2HD LYS 20 HD1 LYS 20 2.825 5.302 5.190 187 1HE LYS 20 HE2 LYS 20 5.567 6.124 6.153 188 2HE LYS 20 HE1 LYS 20 4.269 5.367 7.076 189 1HZ LYS 20 HZ1 LYS 20 4.568 3.513 5.276 190 2HZ LYS 20 HZ3 LYS 20 6.126 4.171 5.152 191 3HZ LYS 20 HZ2 LYS 20 5.577 3.571 6.643 192 H CYS 21 HN CYS 21 2.753 6.039 -0.627 193 HA CYS 21 HA CYS 21 -0.122 5.820 -0.668 194 1HB CYS 21 HB2 CYS 21 1.894 6.288 -2.858 195 2HB CYS 21 HB1 CYS 21 0.155 6.432 -3.001 196 H CYS 22 HN CYS 22 2.324 4.217 -2.753 197 HA CYS 22 HA CYS 22 0.450 2.497 -3.979 198 1HB CYS 22 HB2 CYS 22 2.297 2.505 -5.195 199 2HB CYS 22 HB1 CYS 22 3.383 2.681 -3.826 200 H TYR 23 HN TYR 23 2.372 2.272 -1.041 201 HA TYR 23 HA TYR 23 1.743 -0.446 -0.373 202 1HB TYR 23 HB2 TYR 23 2.547 1.985 1.214 203 2HB TYR 23 HB1 TYR 23 1.990 0.540 2.056 204 HD1 TYR 23 HD2 TYR 23 4.530 1.884 -0.252 205 HD2 TYR 23 HD1 TYR 23 3.346 -1.453 2.163 206 HE1 TYR 23 HE2 TYR 23 6.786 0.890 -0.529 207 HE2 TYR 23 HE1 TYR 23 5.598 -2.459 1.880 208 HH TYR 23 HH TYR 23 8.061 -1.317 1.332 209 H ASP 24 HN ASP 24 0.157 2.645 -0.108 210 HA ASP 24 HA ASP 24 -2.036 1.842 1.577 211 1HB ASP 24 HB2 ASP 24 -1.425 4.200 -0.210 212 2HB ASP 24 HB1 ASP 24 -3.110 3.907 0.254 213 H GLY 25 HN GLY 25 -1.394 1.712 -1.858 214 1HA GLY 25 HA2 GLY 25 -4.099 1.122 -2.672 215 2HA GLY 25 HA1 GLY 25 -2.646 0.857 -3.634 216 H ALA 26 HN ALA 26 -1.207 -0.976 -2.314 217 HA ALA 26 HA ALA 26 -2.877 -3.370 -2.582 218 1HB ALA 26 HB3 ALA 26 -0.318 -2.900 -3.237 219 2HB ALA 26 HB2 ALA 26 -0.066 -3.576 -1.628 220 3HB ALA 26 HB1 ALA 26 -0.911 -4.517 -2.858 221 H SER 27 HN SER 27 -2.062 -1.352 0.049 222 HA SER 27 HA SER 27 -2.262 -3.585 1.974 223 1HB SER 27 HB2 SER 27 -1.652 -0.702 2.465 224 2HB SER 27 HB1 SER 27 -1.551 -1.988 3.639 225 HG SER 27 HG SER 27 0.031 -2.961 2.268 226 H VAL 28 HN VAL 28 -3.698 -0.376 1.411 227 HA VAL 28 HA VAL 28 -5.658 -0.346 3.359 228 HB VAL 28 HB VAL 28 -5.900 0.489 0.458 229 1HG1 VAL 28 HG12 VAL 28 -7.706 0.895 2.840 230 2HG1 VAL 28 HG11 VAL 28 -7.726 1.990 1.462 231 3HG1 VAL 28 HG13 VAL 28 -8.129 0.291 1.239 232 1HG2 VAL 28 HG21 VAL 28 -4.230 1.485 2.325 233 2HG2 VAL 28 HG23 VAL 28 -5.006 2.508 1.116 234 3HG2 VAL 28 HG22 VAL 28 -5.682 2.395 2.741 235 H ASN 29 HN ASN 29 -8.025 -0.908 3.205 236 HA ASN 29 HA ASN 29 -8.534 -3.615 2.930 237 1HB ASN 29 HB2 ASN 29 -10.125 -1.352 3.367 238 2HB ASN 29 HB1 ASN 29 -10.824 -2.103 1.938 239 1HD2 ASN 29 HD22 ASN 29 -12.496 -4.410 3.999 240 2HD2 ASN 29 HD21 ASN 29 -12.573 -3.320 2.700 241 H ASN 30 HN ASN 30 -9.919 -4.713 1.198 242 HA ASN 30 HA ASN 30 -8.586 -4.833 -1.258 243 1HB ASN 30 HB2 ASN 30 -11.546 -5.318 -0.795 244 2HB ASN 30 HB1 ASN 30 -10.594 -5.938 -2.144 245 1HD2 ASN 30 HD22 ASN 30 -8.588 -7.872 0.442 246 2HD2 ASN 30 HD21 ASN 30 -8.200 -6.530 -0.522 247 H ASP 31 HN ASP 31 -10.857 -2.462 -0.120 248 HA ASP 31 HA ASP 31 -10.364 -0.849 -2.513 249 1HB ASP 31 HB2 ASP 31 -13.009 -0.552 -2.642 250 2HB ASP 31 HB1 ASP 31 -12.187 -1.830 -3.537 251 H GLU 32 HN GLU 32 -10.296 -0.838 0.637 252 HA GLU 32 HA GLU 32 -12.114 1.166 1.503 253 1HB GLU 32 HB2 GLU 32 -11.046 0.243 3.313 254 2HB GLU 32 HB1 GLU 32 -9.494 0.159 2.496 255 1HG GLU 32 HG2 GLU 32 -8.904 2.290 3.126 256 2HG GLU 32 HG1 GLU 32 -10.558 2.888 3.000 257 H THR 33 HN THR 33 -8.940 1.357 -0.036 258 HA THR 33 HA THR 33 -9.459 4.247 -0.594 259 HB THR 33 HB THR 33 -6.781 2.937 -0.005 260 HG1 THR 33 HG1 THR 33 -8.514 4.623 1.438 261 1HG2 THR 33 HG22 THR 33 -6.711 4.757 -1.714 262 2HG2 THR 33 HG21 THR 33 -7.437 5.844 -0.532 263 3HG2 THR 33 HG23 THR 33 -5.839 5.161 -0.237 264 H CYS 34 HN CYS 34 -7.721 1.302 -1.592 265 HA CYS 34 HA CYS 34 -6.764 1.810 -4.120 266 1HB CYS 34 HB2 CYS 34 -7.029 -0.440 -2.956 267 2HB CYS 34 HB1 CYS 34 -8.682 -0.467 -3.569 268 H GLU 35 HN GLU 35 -10.142 1.391 -3.212 269 HA GLU 35 HA GLU 35 -11.157 1.839 -5.910 270 1HB GLU 35 HB2 GLU 35 -12.243 0.441 -4.040 271 2HB GLU 35 HB1 GLU 35 -12.800 1.982 -3.388 272 1HG GLU 35 HG2 GLU 35 -14.355 2.242 -5.018 273 2HG GLU 35 HG1 GLU 35 -13.248 1.698 -6.280 274 H GLN 36 HN GLN 36 -12.084 3.658 -2.957 275 HA GLN 36 HA GLN 36 -13.073 5.919 -4.209 276 1HB GLN 36 HB2 GLN 36 -11.726 5.439 -1.601 277 2HB GLN 36 HB1 GLN 36 -11.853 7.121 -2.120 278 1HG GLN 36 HG2 GLN 36 -14.315 6.694 -2.554 279 2HG GLN 36 HG1 GLN 36 -14.111 5.137 -1.749 280 1HE2 GLN 36 HE22 GLN 36 -14.563 6.627 1.399 281 2HE2 GLN 36 HE21 GLN 36 -14.813 5.291 0.381 282 H ARG 37 HN ARG 37 -9.705 5.578 -3.132 283 HA ARG 37 HA ARG 37 -8.690 7.918 -4.336 284 1HB ARG 37 HB2 ARG 37 -7.647 5.509 -3.109 285 2HB ARG 37 HB1 ARG 37 -6.642 6.017 -4.463 286 1HG ARG 37 HG2 ARG 37 -6.091 6.994 -2.141 287 2HG ARG 37 HG1 ARG 37 -6.188 8.115 -3.492 288 1HD ARG 37 HD2 ARG 37 -7.394 8.852 -1.378 289 2HD ARG 37 HD1 ARG 37 -8.385 8.849 -2.833 290 HE ARG 37 HE ARG 37 -8.779 6.330 -1.730 291 1HH1 ARG 37 HH21 ARG 37 -9.027 9.610 -0.676 292 2HH1 ARG 37 HH22 ARG 37 -10.288 9.282 0.463 293 1HH2 ARG 37 HH12 ARG 37 -10.418 5.892 -0.243 294 2HH2 ARG 37 HH11 ARG 37 -11.076 7.181 0.708 295 H ALA 38 HN ALA 38 -8.641 4.556 -5.697 296 HA ALA 38 HA ALA 38 -7.547 5.488 -8.212 297 1HB ALA 38 HB3 ALA 38 -7.383 3.125 -7.347 298 2HB ALA 38 HB2 ALA 38 -9.095 2.930 -7.727 299 3HB ALA 38 HB1 ALA 38 -7.934 3.247 -9.017 300 H ALA 39 HN ALA 39 -10.559 5.966 -6.890 301 HA ALA 39 HA ALA 39 -11.796 6.180 -9.607 302 1HB ALA 39 HB1 ALA 39 -12.713 4.742 -7.328 303 2HB ALA 39 HB3 ALA 39 -13.787 6.124 -7.540 304 3HB ALA 39 HB2 ALA 39 -13.549 4.982 -8.862 305 H ARG 40 HN ARG 40 -12.904 7.376 -6.445 306 HA ARG 40 HA ARG 40 -13.645 9.935 -7.432 307 1HB ARG 40 HB2 ARG 40 -13.287 8.688 -4.772 308 2HB ARG 40 HB1 ARG 40 -13.114 10.444 -4.799 309 1HG ARG 40 HG2 ARG 40 -15.299 10.490 -6.136 310 2HG ARG 40 HG1 ARG 40 -15.493 8.798 -5.679 311 1HD ARG 40 HD2 ARG 40 -16.122 9.343 -3.578 312 2HD ARG 40 HD1 ARG 40 -14.780 10.473 -3.396 313 HE ARG 40 HE ARG 40 -16.559 11.802 -5.061 314 1HH1 ARG 40 HH21 ARG 40 -16.686 10.255 -1.974 315 2HH1 ARG 40 HH22 ARG 40 -17.931 11.291 -1.363 316 1HH2 ARG 40 HH12 ARG 40 -18.186 13.157 -4.271 317 2HH2 ARG 40 HH11 ARG 40 -18.779 12.931 -2.661 318 H ILE 41 HN ILE 41 -11.870 10.709 -8.704 319 HA ILE 41 HA ILE 41 -9.565 11.679 -7.063 320 HB ILE 41 HB ILE 41 -9.634 10.354 -9.762 321 1HG1 ILE 41 HG12 ILE 41 -7.507 10.267 -7.616 322 2HG1 ILE 41 HG11 ILE 41 -8.967 9.276 -7.509 323 1HG2 ILE 41 HG21 ILE 41 -7.828 12.598 -8.917 324 2HG2 ILE 41 HG23 ILE 41 -7.156 11.277 -9.873 325 3HG2 ILE 41 HG22 ILE 41 -8.487 12.237 -10.513 326 1HD1 ILE 41 HD11 ILE 41 -8.401 8.514 -9.911 327 2HD1 ILE 41 HD13 ILE 41 -6.803 9.195 -9.614 328 3HD1 ILE 41 HD12 ILE 41 -7.402 7.877 -8.606 329 H SER 42 HN SER 42 -11.009 13.623 -6.831 330 HA SER 42 HA SER 42 -11.793 15.179 -9.123 331 1HB SER 42 HB2 SER 42 -11.122 16.537 -6.546 332 2HB SER 42 HB1 SER 42 -12.519 16.759 -7.596 333 HG SER 42 HG SER 42 -13.076 15.658 -5.679 334 H LEU 43 HN LEU 43 -8.820 14.650 -7.508 335 HA LEU 43 HA LEU 43 -7.472 16.576 -9.318 336 1HB LEU 43 HB2 LEU 43 -7.680 17.802 -7.238 337 2HB LEU 43 HB1 LEU 43 -7.130 16.412 -6.309 338 HG LEU 43 HG LEU 43 -5.423 18.284 -6.775 339 1HD1 LEU 43 HD13 LEU 43 -5.182 15.513 -6.478 340 2HD1 LEU 43 HD12 LEU 43 -4.091 15.915 -7.804 341 3HD1 LEU 43 HD11 LEU 43 -3.908 16.709 -6.240 342 1HD2 LEU 43 HD21 LEU 43 -5.637 16.991 -9.506 343 2HD2 LEU 43 HD23 LEU 43 -5.808 18.699 -9.104 344 3HD2 LEU 43 HD22 LEU 43 -4.230 17.920 -8.995 345 H GLY 44 HN GLY 44 -7.208 13.869 -7.033 346 1HA GLY 44 HA2 GLY 44 -5.894 11.937 -7.154 347 2HA GLY 44 HA1 GLY 44 -5.438 12.393 -8.792 348 HA PRO 45 HA PRO 45 -2.644 14.900 -5.466 349 1HB PRO 45 HB2 PRO 45 -2.342 12.747 -3.546 350 2HB PRO 45 HB1 PRO 45 -2.848 14.414 -3.269 351 1HG PRO 45 HG2 PRO 45 -4.475 12.058 -3.276 352 2HG PRO 45 HG1 PRO 45 -4.968 13.730 -2.985 353 1HD PRO 45 HD2 PRO 45 -5.653 12.148 -5.211 354 2HD PRO 45 HD1 PRO 45 -5.903 13.891 -5.032 355 H ARG 46 HN ARG 46 -2.021 11.464 -4.791 356 HA ARG 46 HA ARG 46 -0.198 11.181 -7.053 357 1HB ARG 46 HB2 ARG 46 0.943 11.300 -4.241 358 2HB ARG 46 HB1 ARG 46 1.841 10.897 -5.703 359 1HG ARG 46 HG2 ARG 46 1.169 13.160 -6.621 360 2HG ARG 46 HG1 ARG 46 0.547 13.546 -5.016 361 1HD ARG 46 HD2 ARG 46 2.620 13.918 -4.201 362 2HD ARG 46 HD1 ARG 46 3.247 12.432 -4.916 363 HE ARG 46 HE ARG 46 2.983 14.138 -7.079 364 1HH1 ARG 46 HH21 ARG 46 4.479 14.271 -3.969 365 2HH1 ARG 46 HH22 ARG 46 5.754 15.323 -4.486 366 1HH2 ARG 46 HH12 ARG 46 4.640 15.507 -7.763 367 2HH2 ARG 46 HH11 ARG 46 5.846 16.022 -6.631 368 H CYS 47 HN CYS 47 -1.189 9.962 -3.849 369 HA CYS 47 HA CYS 47 -0.317 7.299 -4.284 370 1HB CYS 47 HB2 CYS 47 -2.770 7.872 -2.633 371 2HB CYS 47 HB1 CYS 47 -1.544 6.666 -2.354 372 H ILE 48 HN ILE 48 -3.151 8.967 -5.488 373 HA ILE 48 HA ILE 48 -4.599 6.556 -6.028 374 HB ILE 48 HB ILE 48 -5.693 8.045 -7.866 375 1HG1 ILE 48 HG12 ILE 48 -4.956 10.504 -6.615 376 2HG1 ILE 48 HG11 ILE 48 -3.489 9.709 -7.151 377 1HG2 ILE 48 HG22 ILE 48 -6.482 7.619 -5.458 378 2HG2 ILE 48 HG21 ILE 48 -5.810 9.205 -5.088 379 3HG2 ILE 48 HG23 ILE 48 -7.113 9.051 -6.266 380 1HD1 ILE 48 HD11 ILE 48 -4.801 9.276 -9.359 381 2HD1 ILE 48 HD13 ILE 48 -5.849 10.573 -8.784 382 3HD1 ILE 48 HD12 ILE 48 -4.137 10.884 -9.066 383 H LYS 49 HN LYS 49 -2.891 8.615 -8.468 384 HA LYS 49 HA LYS 49 -2.866 6.649 -10.483 385 1HB LYS 49 HB2 LYS 49 -1.338 9.099 -9.886 386 2HB LYS 49 HB1 LYS 49 -0.470 7.929 -10.881 387 1HG LYS 49 HG2 LYS 49 -3.280 8.285 -11.667 388 2HG LYS 49 HG1 LYS 49 -2.306 9.747 -11.837 389 1HD LYS 49 HD2 LYS 49 -0.648 8.516 -13.161 390 2HD LYS 49 HD1 LYS 49 -1.573 7.027 -12.960 391 1HE LYS 49 HE2 LYS 49 -2.268 9.476 -14.564 392 2HE LYS 49 HE1 LYS 49 -2.291 7.783 -15.061 393 1HZ LYS 49 HZ2 LYS 49 -4.099 7.523 -13.312 394 2HZ LYS 49 HZ1 LYS 49 -4.209 9.219 -13.331 395 3HZ LYS 49 HZ3 LYS 49 -4.516 8.335 -14.746 396 H ALA 50 HN ALA 50 -0.158 7.401 -8.244 397 HA ALA 50 HA ALA 50 1.543 5.258 -8.900 398 1HB ALA 50 HB3 ALA 50 2.124 7.031 -7.255 399 2HB ALA 50 HB2 ALA 50 0.987 6.317 -6.113 400 3HB ALA 50 HB1 ALA 50 2.412 5.413 -6.618 401 H PHE 51 HN PHE 51 -0.549 5.320 -6.091 402 HA PHE 51 HA PHE 51 -0.322 2.547 -5.681 403 1HB PHE 51 HB2 PHE 51 -1.222 3.056 -3.745 404 2HB PHE 51 HB1 PHE 51 -1.170 4.715 -4.224 405 HD1 PHE 51 HD1 PHE 51 -3.529 4.423 -6.290 406 HD2 PHE 51 HD2 PHE 51 -3.020 3.255 -2.212 407 HE1 PHE 51 HE1 PHE 51 -5.972 4.487 -5.971 408 HE2 PHE 51 HE2 PHE 51 -5.465 3.342 -1.886 409 HZ PHE 51 HZ PHE 51 -6.943 3.949 -3.768 410 H THR 52 HN THR 52 -2.028 4.067 -8.091 411 HA THR 52 HA THR 52 -4.392 2.314 -8.050 412 HB THR 52 HB THR 52 -3.410 4.528 -9.843 413 HG1 THR 52 HG1 THR 52 -5.579 5.202 -9.421 414 1HG2 THR 52 HG21 THR 52 -4.068 2.692 -11.375 415 2HG2 THR 52 HG23 THR 52 -5.624 2.578 -10.553 416 3HG2 THR 52 HG22 THR 52 -5.205 4.037 -11.450 417 H GLU 53 HN GLU 53 -1.454 2.787 -10.004 418 HA GLU 53 HA GLU 53 -1.954 0.334 -11.534 419 1HB GLU 53 HB2 GLU 53 -0.338 2.532 -11.920 420 2HB GLU 53 HB1 GLU 53 0.821 1.326 -11.362 421 1HG GLU 53 HG2 GLU 53 0.497 -0.038 -13.197 422 2HG GLU 53 HG1 GLU 53 -1.175 0.478 -13.415 423 H CYS 54 HN CYS 54 -0.447 1.283 -8.565 424 HA CYS 54 HA CYS 54 1.050 -1.204 -8.208 425 1HB CYS 54 HB2 CYS 54 2.030 0.621 -7.143 426 2HB CYS 54 HB1 CYS 54 0.486 1.251 -6.553 427 H CYS 55 HN CYS 55 -2.051 0.125 -7.126 428 HA CYS 55 HA CYS 55 -2.593 -2.135 -5.366 429 1HB CYS 55 HB2 CYS 55 -3.657 0.063 -4.927 430 2HB CYS 55 HB1 CYS 55 -4.535 -0.049 -6.449 431 H VAL 56 HN VAL 56 -3.347 -1.222 -8.683 432 HA VAL 56 HA VAL 56 -5.199 -3.400 -9.144 433 HB VAL 56 HB VAL 56 -4.967 -2.836 -11.514 434 1HG1 VAL 56 HG11 VAL 56 -5.384 -0.789 -9.431 435 2HG1 VAL 56 HG13 VAL 56 -5.043 -0.138 -11.034 436 3HG1 VAL 56 HG12 VAL 56 -6.409 -1.230 -10.797 437 1HG2 VAL 56 HG22 VAL 56 -2.624 -1.164 -10.553 438 2HG2 VAL 56 HG21 VAL 56 -2.559 -2.542 -11.651 439 3HG2 VAL 56 HG23 VAL 56 -3.327 -1.041 -12.166 440 H VAL 57 HN VAL 57 -1.742 -2.850 -9.891 441 HA VAL 57 HA VAL 57 -1.226 -5.382 -11.065 442 HB VAL 57 HB VAL 57 0.463 -3.626 -11.096 443 1HG1 VAL 57 HG12 VAL 57 -0.246 -2.795 -8.783 444 2HG1 VAL 57 HG11 VAL 57 0.814 -4.041 -8.128 445 3HG1 VAL 57 HG13 VAL 57 1.477 -2.756 -9.135 446 1HG2 VAL 57 HG23 VAL 57 1.099 -6.131 -10.961 447 2HG2 VAL 57 HG22 VAL 57 2.372 -4.957 -10.627 448 3HG2 VAL 57 HG21 VAL 57 1.566 -5.785 -9.296 449 H ALA 58 HN ALA 58 -1.001 -4.372 -7.622 450 HA ALA 58 HA ALA 58 -0.237 -6.868 -6.550 451 1HB ALA 58 HB1 ALA 58 -2.113 -4.781 -5.395 452 2HB ALA 58 HB3 ALA 58 -1.436 -6.126 -4.475 453 3HB ALA 58 HB2 ALA 58 -0.371 -4.885 -5.138 454 H SER 59 HN SER 59 -3.513 -5.600 -7.092 455 HA SER 59 HA SER 59 -5.050 -7.789 -6.271 456 1HB SER 59 HB2 SER 59 -6.217 -6.892 -8.686 457 2HB SER 59 HB1 SER 59 -6.651 -6.413 -7.047 458 HG SER 59 HG SER 59 -5.895 -4.533 -7.590 459 H GLN 60 HN GLN 60 -4.480 -7.186 -9.732 460 HA GLN 60 HA GLN 60 -5.115 -9.649 -10.752 461 1HB GLN 60 HB2 GLN 60 -3.636 -7.434 -11.673 462 2HB GLN 60 HB1 GLN 60 -2.600 -8.835 -11.946 463 1HG GLN 60 HG2 GLN 60 -3.827 -9.267 -13.786 464 2HG GLN 60 HG1 GLN 60 -5.158 -9.685 -12.707 465 1HE2 GLN 60 HE22 GLN 60 -5.365 -6.296 -14.899 466 2HE2 GLN 60 HE21 GLN 60 -4.082 -7.395 -15.064 467 H LEU 61 HN LEU 61 -1.746 -8.828 -9.891 468 HA LEU 61 HA LEU 61 -0.491 -11.263 -9.985 469 1HB LEU 61 HB2 LEU 61 -0.364 -8.947 -8.116 470 2HB LEU 61 HB1 LEU 61 0.524 -10.400 -7.683 471 HG LEU 61 HG LEU 61 1.823 -8.770 -8.936 472 1HD1 LEU 61 HD11 LEU 61 1.363 -11.556 -9.830 473 2HD1 LEU 61 HD13 LEU 61 2.357 -10.552 -10.884 474 3HD1 LEU 61 HD12 LEU 61 2.835 -10.812 -9.208 475 1HD2 LEU 61 HD21 LEU 61 -0.259 -9.325 -11.030 476 2HD2 LEU 61 HD23 LEU 61 0.310 -7.763 -10.445 477 3HD2 LEU 61 HD22 LEU 61 1.344 -8.746 -11.477 478 H ARG 62 HN ARG 62 -1.188 -10.224 -6.752 479 HA ARG 62 HA ARG 62 -1.316 -12.463 -5.314 480 1HB ARG 62 HB2 ARG 62 -2.553 -9.965 -5.034 481 2HB ARG 62 HB1 ARG 62 -3.843 -11.139 -4.773 482 1HG ARG 62 HG2 ARG 62 -2.529 -12.282 -3.076 483 2HG ARG 62 HG1 ARG 62 -1.146 -11.235 -3.397 484 1HD ARG 62 HD2 ARG 62 -3.208 -9.446 -2.917 485 2HD ARG 62 HD1 ARG 62 -3.521 -10.735 -1.758 486 HE ARG 62 HE ARG 62 -1.513 -8.760 -1.486 487 1HH1 ARG 62 HH21 ARG 62 -1.814 -12.210 -1.349 488 2HH1 ARG 62 HH22 ARG 62 -0.329 -12.421 -0.491 489 1HH2 ARG 62 HH12 ARG 62 0.398 -9.041 -0.349 490 2HH2 ARG 62 HH11 ARG 62 0.913 -10.638 0.084 491 H ALA 63 HN ALA 63 -4.025 -11.605 -7.477 492 HA ALA 63 HA ALA 63 -5.765 -13.728 -6.885 493 1HB ALA 63 HB3 ALA 63 -5.658 -11.771 -8.832 494 2HB ALA 63 HB2 ALA 63 -5.456 -13.249 -9.772 495 3HB ALA 63 HB1 ALA 63 -6.876 -13.044 -8.746 496 H ASN 64 HN ASN 64 -3.387 -13.747 -9.560 497 HA ASN 64 HA ASN 64 -2.832 -16.606 -8.937 498 1HB ASN 64 HB2 ASN 64 -4.484 -16.522 -10.792 499 2HB ASN 64 HB1 ASN 64 -3.374 -15.509 -11.715 500 1HD2 ASN 64 HD22 ASN 64 -2.798 -19.044 -12.769 501 2HD2 ASN 64 HD21 ASN 64 -4.111 -17.970 -12.829 502 H ILE 65 HN ILE 65 -1.166 -14.595 -8.140 503 HA ILE 65 HA ILE 65 0.747 -13.502 -9.812 504 HB ILE 65 HB ILE 65 2.113 -14.842 -7.600 505 1HG1 ILE 65 HG12 ILE 65 -0.362 -13.195 -6.993 506 2HG1 ILE 65 HG11 ILE 65 -0.090 -14.880 -6.545 507 1HG2 ILE 65 HG22 ILE 65 2.729 -12.722 -8.889 508 2HG2 ILE 65 HG21 ILE 65 1.459 -11.917 -7.973 509 3HG2 ILE 65 HG23 ILE 65 2.839 -12.615 -7.132 510 1HD1 ILE 65 HD12 ILE 65 2.151 -13.603 -5.537 511 2HD1 ILE 65 HD11 ILE 65 0.866 -12.432 -5.246 512 3HD1 ILE 65 HD13 ILE 65 0.733 -14.067 -4.599 513 H SER 66 HN SER 66 1.437 -14.588 -11.622 514 HA SER 66 HA SER 66 3.458 -16.578 -11.414 515 1HB SER 66 HB2 SER 66 1.518 -18.000 -10.720 516 2HB SER 66 HB1 SER 66 0.767 -17.679 -12.280 517 HG SER 66 HG SER 66 2.482 -19.558 -11.715 518 H HIS 67 HN HIS 67 0.904 -15.104 -13.342 519 HA HIS 67 HA HIS 67 2.091 -15.813 -15.897 520 1HB HIS 67 HB2 HIS 67 -0.246 -14.340 -14.945 521 2HB HIS 67 HB1 HIS 67 0.515 -13.565 -16.335 522 HD1 HIS 67 HD1 HIS 67 -2.085 -15.796 -15.790 523 HD2 HIS 67 HD2 HIS 67 1.279 -16.004 -18.244 524 HE1 HIS 67 HE1 HIS 67 -2.605 -17.516 -17.574 525 H LYS 68 HN LYS 68 1.410 -12.448 -15.129 526 HA LYS 68 HA LYS 68 4.313 -11.824 -15.435 527 1HB LYS 68 HB2 LYS 68 3.519 -9.800 -16.810 528 2HB LYS 68 HB1 LYS 68 3.461 -11.373 -17.610 529 1HG LYS 68 HG2 LYS 68 1.076 -11.586 -17.065 530 2HG LYS 68 HG1 LYS 68 1.119 -10.039 -16.217 531 1HD LYS 68 HD2 LYS 68 1.300 -8.811 -18.176 532 2HD LYS 68 HD1 LYS 68 2.061 -10.136 -19.059 533 1HE LYS 68 HE2 LYS 68 0.069 -10.934 -19.765 534 2HE LYS 68 HE1 LYS 68 -0.630 -10.818 -18.150 535 1HZ LYS 68 HZ2 LYS 68 -0.288 -8.561 -20.051 536 2HZ LYS 68 HZ1 LYS 68 -1.752 -9.355 -19.712 537 3HZ LYS 68 HZ3 LYS 68 -0.975 -8.458 -18.500 538 H ASP 69 HN ASP 69 4.483 -9.252 -15.026 539 HA ASP 69 HA ASP 69 2.776 -8.624 -12.653 540 1HB ASP 69 HB2 ASP 69 5.730 -8.722 -12.922 541 2HB ASP 69 HB1 ASP 69 5.082 -7.329 -12.054 542 H MET 70 HN MET 70 2.483 -6.313 -12.279 543 HA MET 70 HA MET 70 2.931 -4.697 -14.757 544 1HB MET 70 HB2 MET 70 0.515 -5.333 -13.604 545 2HB MET 70 HB1 MET 70 0.856 -3.760 -12.887 546 1HG MET 70 HG2 MET 70 0.242 -2.764 -14.804 547 2HG MET 70 HG1 MET 70 1.547 -3.601 -15.644 548 1HE MET 70 HE1 MET 70 -0.993 -2.514 -16.624 549 2HE MET 70 HE3 MET 70 -0.501 -3.555 -17.968 550 3HE MET 70 HE2 MET 70 -2.134 -3.664 -17.317 551 H CYS 71 HN CYS 71 1.959 -2.304 -13.220 552 HA CYS 71 HA CYS 71 4.331 -1.068 -12.545 553 1HB CYS 71 HB2 CYS 71 1.507 -0.698 -11.776 554 2HB CYS 71 HB1 CYS 71 2.664 0.022 -10.649 555 1H CYS 72 HN3 CYS 72 3.504 4.624 -11.873 556 2H CYS 72 HN2 CYS 72 2.165 3.588 -12.013 557 3H CYS 72 HN1 CYS 72 1.994 5.107 -11.272 558 HA CYS 72 HA CYS 72 2.058 3.550 -9.520 559 1HB CYS 72 HB2 CYS 72 4.471 2.285 -9.572 560 2HB CYS 72 HB1 CYS 72 2.937 1.565 -10.022 561 H LEU 73 HN LEU 73 5.441 4.040 -10.478 562 HA LEU 73 HA LEU 73 6.352 5.001 -8.040 563 1HB LEU 73 HB2 LEU 73 7.369 6.134 -10.647 564 2HB LEU 73 HB1 LEU 73 8.279 5.789 -9.175 565 HG LEU 73 HG LEU 73 7.089 3.347 -9.884 566 1HD1 LEU 73 HD13 LEU 73 7.075 4.888 -12.173 567 2HD1 LEU 73 HD12 LEU 73 8.608 4.027 -12.306 568 3HD1 LEU 73 HD11 LEU 73 7.101 3.125 -12.141 569 1HD2 LEU 73 HD23 LEU 73 9.336 3.752 -8.879 570 2HD2 LEU 73 HD22 LEU 73 9.410 2.655 -10.258 571 3HD2 LEU 73 HD21 LEU 73 9.904 4.338 -10.443 572 H GLY 74 HN GLY 74 7.306 7.453 -7.941 573 1HA GLY 74 HA2 GLY 74 5.258 9.391 -8.847 574 2HA GLY 74 HA1 GLY 74 5.491 9.233 -7.107 575 1HN DAR 75 HN ARG 75 6.004 11.645 -8.519 576 HA DAR 75 HA ARG 75 8.730 12.014 -9.252 577 1HB DAR 75 HB1 ARG 75 8.806 11.345 -6.702 578 2HB DAR 75 HB2 ARG 75 8.299 13.017 -6.453 579 1HG DAR 75 HG1 ARG 75 10.231 13.806 -7.757 580 2HG DAR 75 HG2 ARG 75 10.724 12.139 -8.055 581 1HD DAR 75 HD1 ARG 75 11.785 12.049 -6.070 582 2HD DAR 75 HD2 ARG 75 10.314 12.541 -5.233 583 HNE DAR 75 HE ARG 75 11.370 14.583 -4.894 584 1HH1 DAR 75 HH11 ARG 75 12.334 16.487 -5.581 585 2HH1 DAR 75 HH12 ARG 75 13.081 16.557 -7.142 586 1HH2 DAR 75 HH21 ARG 75 12.366 13.269 -7.945 587 2HH2 DAR 75 HH22 ARG 75 13.085 14.747 -8.477 No H/Q in entry = 587 Start of MODEL 15 1 1H MET 1 HN2 MET 1 12.436 -17.871 -1.398 2 2H MET 1 HN1 MET 1 13.991 -17.519 -0.809 3 3H MET 1 HN3 MET 1 12.800 -18.105 0.246 4 HA MET 1 HA MET 1 12.084 -16.072 0.681 5 1HB MET 1 HB2 MET 1 14.440 -15.496 -1.102 6 2HB MET 1 HB1 MET 1 13.450 -14.171 -0.489 7 1HG MET 1 HG2 MET 1 14.536 -14.280 1.476 8 2HG MET 1 HG1 MET 1 13.953 -15.931 1.693 9 1HE MET 1 HE3 MET 1 15.489 -17.087 2.745 10 2HE MET 1 HE2 MET 1 17.205 -17.309 2.416 11 3HE MET 1 HE1 MET 1 16.641 -15.801 3.132 12 H LEU 2 HN LEU 2 10.214 -17.013 -0.793 13 HA LEU 2 HA LEU 2 9.854 -15.279 -3.191 14 1HB LEU 2 HB2 LEU 2 9.504 -17.607 -3.690 15 2HB LEU 2 HB1 LEU 2 8.466 -17.813 -2.280 16 HG LEU 2 HG LEU 2 6.893 -16.118 -3.300 17 1HD1 LEU 2 HD13 LEU 2 8.552 -15.073 -4.813 18 2HD1 LEU 2 HD12 LEU 2 8.653 -16.577 -5.729 19 3HD1 LEU 2 HD11 LEU 2 7.148 -15.658 -5.706 20 1HD2 LEU 2 HD22 LEU 2 6.621 -18.625 -3.479 21 2HD2 LEU 2 HD21 LEU 2 5.873 -17.722 -4.797 22 3HD2 LEU 2 HD23 LEU 2 7.415 -18.539 -5.051 23 H GLN 3 HN GLN 3 8.765 -15.772 0.048 24 HA GLN 3 HA GLN 3 6.143 -14.818 0.048 25 1HB GLN 3 HB2 GLN 3 6.956 -13.622 2.270 26 2HB GLN 3 HB1 GLN 3 6.888 -15.383 2.177 27 1HG GLN 3 HG2 GLN 3 9.220 -15.575 1.858 28 2HG GLN 3 HG1 GLN 3 9.385 -13.879 1.400 29 1HE2 GLN 3 HE22 GLN 3 10.156 -12.973 4.702 30 2HE2 GLN 3 HE21 GLN 3 10.393 -12.723 3.040 31 H LYS 4 HN LYS 4 9.073 -13.078 -0.685 32 HA LYS 4 HA LYS 4 7.781 -10.448 -0.441 33 1HB LYS 4 HB2 LYS 4 10.470 -11.194 -1.631 34 2HB LYS 4 HB1 LYS 4 9.927 -9.565 -1.227 35 1HG LYS 4 HG2 LYS 4 9.507 -10.730 1.156 36 2HG LYS 4 HG1 LYS 4 10.810 -11.768 0.575 37 1HD LYS 4 HD2 LYS 4 11.625 -9.166 -0.077 38 2HD LYS 4 HD1 LYS 4 10.945 -9.033 1.544 39 1HE LYS 4 HE2 LYS 4 13.029 -9.724 2.178 40 2HE LYS 4 HE1 LYS 4 12.374 -11.322 1.820 41 1HZ LYS 4 HZ2 LYS 4 13.281 -10.120 -0.560 42 2HZ LYS 4 HZ1 LYS 4 14.523 -10.054 0.599 43 3HZ LYS 4 HZ3 LYS 4 13.828 -11.545 0.186 44 H LYS 5 HN LYS 5 6.938 -9.264 -2.155 45 HA LYS 5 HA LYS 5 7.464 -10.125 -4.917 46 1HB LYS 5 HB2 LYS 5 4.584 -10.045 -4.027 47 2HB LYS 5 HB1 LYS 5 5.266 -10.754 -5.491 48 1HG LYS 5 HG2 LYS 5 6.412 -12.465 -4.127 49 2HG LYS 5 HG1 LYS 5 5.713 -11.764 -2.667 50 1HD LYS 5 HD2 LYS 5 3.441 -12.090 -3.993 51 2HD LYS 5 HD1 LYS 5 4.375 -13.316 -4.850 52 1HE LYS 5 HE2 LYS 5 3.757 -14.670 -3.131 53 2HE LYS 5 HE1 LYS 5 5.050 -13.852 -2.253 54 1HZ LYS 5 HZ2 LYS 5 2.381 -12.631 -2.339 55 2HZ LYS 5 HZ1 LYS 5 2.657 -13.931 -1.281 56 3HZ LYS 5 HZ3 LYS 5 3.582 -12.517 -1.142 57 H ILE 6 HN ILE 6 4.737 -8.296 -3.482 58 HA ILE 6 HA ILE 6 5.561 -6.001 -5.183 59 HB ILE 6 HB ILE 6 2.968 -6.939 -4.013 60 1HG1 ILE 6 HG12 ILE 6 3.814 -7.310 -6.414 61 2HG1 ILE 6 HG11 ILE 6 2.191 -6.644 -6.243 62 1HG2 ILE 6 HG21 ILE 6 3.574 -4.057 -4.752 63 2HG2 ILE 6 HG23 ILE 6 1.954 -4.710 -4.506 64 3HG2 ILE 6 HG22 ILE 6 3.095 -4.651 -3.162 65 1HD1 ILE 6 HD12 ILE 6 4.400 -4.661 -6.353 66 2HD1 ILE 6 HD11 ILE 6 4.076 -5.541 -7.847 67 3HD1 ILE 6 HD13 ILE 6 2.795 -4.601 -7.082 68 H GLU 7 HN GLU 7 5.451 -6.997 -1.865 69 HA GLU 7 HA GLU 7 5.063 -4.674 -0.423 70 1HB GLU 7 HB2 GLU 7 6.986 -5.494 1.088 71 2HB GLU 7 HB1 GLU 7 5.621 -6.583 0.850 72 1HG GLU 7 HG2 GLU 7 7.170 -7.354 -1.226 73 2HG GLU 7 HG1 GLU 7 8.423 -6.819 -0.107 74 H GLU 8 HN GLU 8 8.346 -5.588 -1.604 75 HA GLU 8 HA GLU 8 9.330 -2.902 -1.150 76 1HB GLU 8 HB2 GLU 8 11.339 -3.672 -2.387 77 2HB GLU 8 HB1 GLU 8 10.855 -4.851 -1.166 78 1HG GLU 8 HG2 GLU 8 9.466 -5.914 -3.113 79 2HG GLU 8 HG1 GLU 8 10.553 -4.997 -4.156 80 H ILE 9 HN ILE 9 7.867 -4.569 -3.896 81 HA ILE 9 HA ILE 9 8.554 -2.792 -5.980 82 HB ILE 9 HB ILE 9 5.924 -4.184 -5.377 83 1HG1 ILE 9 HG12 ILE 9 8.237 -4.718 -7.266 84 2HG1 ILE 9 HG11 ILE 9 7.721 -5.714 -5.904 85 1HG2 ILE 9 HG22 ILE 9 6.465 -2.046 -7.226 86 2HG2 ILE 9 HG21 ILE 9 6.143 -3.526 -8.131 87 3HG2 ILE 9 HG23 ILE 9 4.956 -2.923 -6.972 88 1HD1 ILE 9 HD12 ILE 9 5.880 -5.108 -8.223 89 2HD1 ILE 9 HD11 ILE 9 6.980 -6.487 -8.239 90 3HD1 ILE 9 HD13 ILE 9 5.721 -6.376 -7.008 91 H ALA 10 HN ALA 10 6.578 -2.444 -3.168 92 HA ALA 10 HA ALA 10 5.562 0.215 -3.971 93 1HB ALA 10 HB2 ALA 10 4.132 -1.440 -2.681 94 2HB ALA 10 HB1 ALA 10 5.246 -1.249 -1.327 95 3HB ALA 10 HB3 ALA 10 4.303 0.129 -1.894 96 H ALA 11 HN ALA 11 7.877 -1.386 -1.860 97 HA ALA 11 HA ALA 11 8.676 0.756 -0.234 98 1HB ALA 11 HB1 ALA 11 10.421 -1.401 -1.430 99 2HB ALA 11 HB3 ALA 11 10.864 -0.371 -0.069 100 3HB ALA 11 HB2 ALA 11 9.531 -1.514 0.089 101 H LYS 12 HN LYS 12 9.122 0.254 -3.624 102 HA LYS 12 HA LYS 12 11.298 2.245 -3.801 103 1HB LYS 12 HB2 LYS 12 10.315 0.079 -5.442 104 2HB LYS 12 HB1 LYS 12 10.426 1.565 -6.388 105 1HG LYS 12 HG2 LYS 12 12.600 0.787 -6.596 106 2HG LYS 12 HG1 LYS 12 12.760 1.782 -5.149 107 1HD LYS 12 HD2 LYS 12 13.714 -0.175 -4.372 108 2HD LYS 12 HD1 LYS 12 12.030 -0.480 -3.947 109 1HE LYS 12 HE2 LYS 12 11.695 -1.784 -5.961 110 2HE LYS 12 HE1 LYS 12 13.300 -1.359 -6.554 111 1HZ LYS 12 HZ2 LYS 12 13.253 -2.536 -3.916 112 2HZ LYS 12 HZ1 LYS 12 12.740 -3.576 -5.158 113 3HZ LYS 12 HZ3 LYS 12 14.275 -2.859 -5.234 114 H TYR 13 HN TYR 13 7.833 2.100 -4.229 115 HA TYR 13 HA TYR 13 7.493 4.273 -6.028 116 1HB TYR 13 HB2 TYR 13 5.760 3.221 -3.769 117 2HB TYR 13 HB1 TYR 13 5.267 4.609 -4.722 118 HD1 TYR 13 HD1 TYR 13 7.171 1.673 -5.884 119 HD2 TYR 13 HD2 TYR 13 3.363 3.705 -6.021 120 HE1 TYR 13 HE1 TYR 13 6.420 0.133 -7.650 121 HE2 TYR 13 HE2 TYR 13 2.649 2.162 -7.800 122 HH TYR 13 HH TYR 13 4.715 0.197 -9.524 123 H LYS 14 HN LYS 14 8.968 5.875 -5.638 124 HA LYS 14 HA LYS 14 10.312 7.217 -4.041 125 1HB LYS 14 HB2 LYS 14 8.245 8.287 -5.683 126 2HB LYS 14 HB1 LYS 14 8.323 9.246 -4.204 127 1HG LYS 14 HG2 LYS 14 9.893 10.221 -5.737 128 2HG LYS 14 HG1 LYS 14 10.839 9.344 -4.535 129 1HD LYS 14 HD2 LYS 14 10.468 7.361 -6.328 130 2HD LYS 14 HD1 LYS 14 10.421 8.747 -7.418 131 1HE LYS 14 HE2 LYS 14 12.569 9.041 -5.496 132 2HE LYS 14 HE1 LYS 14 12.717 7.511 -6.360 133 1HZ LYS 14 HZ3 LYS 14 12.080 9.179 -8.346 134 2HZ LYS 14 HZ2 LYS 14 12.965 10.224 -7.341 135 3HZ LYS 14 HZ1 LYS 14 13.673 8.791 -7.914 136 H HIS 15 HN HIS 15 10.557 7.035 -1.899 137 HA HIS 15 HA HIS 15 8.570 6.599 0.038 138 1HB HIS 15 HB2 HIS 15 10.240 7.411 1.685 139 2HB HIS 15 HB1 HIS 15 10.954 6.304 0.514 140 HD1 HIS 15 HD1 HIS 15 12.544 8.575 2.074 141 HD2 HIS 15 HD2 HIS 15 11.160 8.833 -1.850 142 HE1 HIS 15 HE1 HIS 15 13.982 10.307 0.920 143 H SER 16 HN SER 16 9.474 9.575 -1.540 144 HA SER 16 HA SER 16 8.742 11.577 0.211 145 1HB SER 16 HB2 SER 16 7.803 11.409 -2.664 146 2HB SER 16 HB1 SER 16 7.980 12.879 -1.708 147 HG SER 16 HG SER 16 9.805 12.536 -3.011 148 H VAL 17 HN VAL 17 6.418 9.884 -1.898 149 HA VAL 17 HA VAL 17 4.424 9.850 0.247 150 HB VAL 17 HB VAL 17 2.775 10.987 -1.507 151 1HG1 VAL 17 HG11 VAL 17 3.610 11.698 0.876 152 2HG1 VAL 17 HG13 VAL 17 4.607 12.847 -0.016 153 3HG1 VAL 17 HG12 VAL 17 2.851 12.902 -0.167 154 1HG2 VAL 17 HG21 VAL 17 5.215 11.302 -2.820 155 2HG2 VAL 17 HG23 VAL 17 3.735 12.196 -3.163 156 3HG2 VAL 17 HG22 VAL 17 4.940 12.873 -2.070 157 H VAL 18 HN VAL 18 4.883 9.534 -3.278 158 HA VAL 18 HA VAL 18 2.888 7.731 -3.943 159 HB VAL 18 HB VAL 18 4.502 8.575 -5.583 160 1HG1 VAL 18 HG11 VAL 18 6.356 7.079 -3.787 161 2HG1 VAL 18 HG13 VAL 18 6.769 7.200 -5.494 162 3HG1 VAL 18 HG12 VAL 18 6.566 8.663 -4.526 163 1HG2 VAL 18 HG21 VAL 18 3.718 5.813 -5.313 164 2HG2 VAL 18 HG23 VAL 18 3.928 6.754 -6.789 165 3HG2 VAL 18 HG22 VAL 18 5.300 5.898 -6.086 166 H LYS 19 HN LYS 19 5.637 7.152 -1.863 167 HA LYS 19 HA LYS 19 5.649 4.279 -2.048 168 1HB LYS 19 HB2 LYS 19 7.587 5.045 -1.041 169 2HB LYS 19 HB1 LYS 19 6.753 6.334 -0.183 170 1HG LYS 19 HG2 LYS 19 6.425 5.028 1.648 171 2HG LYS 19 HG1 LYS 19 5.928 3.644 0.677 172 1HD LYS 19 HD2 LYS 19 7.973 2.712 0.784 173 2HD LYS 19 HD1 LYS 19 8.761 4.227 0.345 174 1HE LYS 19 HE2 LYS 19 8.919 4.942 2.570 175 2HE LYS 19 HE1 LYS 19 7.617 3.878 3.102 176 1HZ LYS 19 HZ2 LYS 19 9.458 2.162 2.100 177 2HZ LYS 19 HZ1 LYS 19 10.424 3.343 2.848 178 3HZ LYS 19 HZ3 LYS 19 9.243 2.523 3.747 179 H LYS 20 HN LYS 20 4.809 5.922 0.990 180 HA LYS 20 HA LYS 20 3.169 3.984 2.069 181 1HB LYS 20 HB2 LYS 20 2.397 6.901 2.233 182 2HB LYS 20 HB1 LYS 20 2.217 5.654 3.467 183 1HG LYS 20 HG2 LYS 20 4.792 5.462 3.380 184 2HG LYS 20 HG1 LYS 20 4.746 7.006 2.526 185 1HD LYS 20 HD2 LYS 20 3.050 7.454 4.660 186 2HD LYS 20 HD1 LYS 20 4.300 6.431 5.371 187 1HE LYS 20 HE2 LYS 20 5.746 8.152 5.393 188 2HE LYS 20 HE1 LYS 20 5.542 8.376 3.655 189 1HZ LYS 20 HZ1 LYS 20 3.284 9.302 5.137 190 2HZ LYS 20 HZ3 LYS 20 4.710 10.088 5.611 191 3HZ LYS 20 HZ2 LYS 20 4.227 10.117 3.982 192 H CYS 21 HN CYS 21 2.428 6.067 -0.608 193 HA CYS 21 HA CYS 21 -0.450 5.770 -0.663 194 1HB CYS 21 HB2 CYS 21 1.536 6.168 -2.898 195 2HB CYS 21 HB1 CYS 21 -0.205 6.356 -2.972 196 H CYS 22 HN CYS 22 2.057 4.252 -2.713 197 HA CYS 22 HA CYS 22 0.364 2.382 -3.925 198 1HB CYS 22 HB2 CYS 22 2.321 2.512 -4.996 199 2HB CYS 22 HB1 CYS 22 3.285 2.649 -3.535 200 H TYR 23 HN TYR 23 2.177 2.279 -0.896 201 HA TYR 23 HA TYR 23 1.577 -0.431 -0.191 202 1HB TYR 23 HB2 TYR 23 2.226 2.047 1.406 203 2HB TYR 23 HB1 TYR 23 1.759 0.554 2.218 204 HD1 TYR 23 HD2 TYR 23 4.207 2.067 -0.101 205 HD2 TYR 23 HD1 TYR 23 3.274 -1.298 2.387 206 HE1 TYR 23 HE2 TYR 23 6.528 1.236 -0.363 207 HE2 TYR 23 HE1 TYR 23 5.593 -2.142 2.117 208 HH TYR 23 HH TYR 23 7.776 -1.360 1.545 209 H ASP 24 HN ASP 24 -0.057 2.654 0.106 210 HA ASP 24 HA ASP 24 -2.278 1.839 1.703 211 1HB ASP 24 HB2 ASP 24 -1.706 4.138 -0.171 212 2HB ASP 24 HB1 ASP 24 -3.389 3.811 0.270 213 H GLY 25 HN GLY 25 -1.566 1.593 -1.717 214 1HA GLY 25 HA2 GLY 25 -4.221 0.886 -2.589 215 2HA GLY 25 HA1 GLY 25 -2.723 0.589 -3.475 216 H ALA 26 HN ALA 26 -1.279 -1.132 -2.163 217 HA ALA 26 HA ALA 26 -2.872 -3.584 -2.230 218 1HB ALA 26 HB3 ALA 26 -0.267 -3.022 -2.798 219 2HB ALA 26 HB2 ALA 26 -0.110 -3.725 -1.188 220 3HB ALA 26 HB1 ALA 26 -0.876 -4.647 -2.482 221 H SER 27 HN SER 27 -2.411 -1.341 0.213 222 HA SER 27 HA SER 27 -2.350 -3.382 2.353 223 1HB SER 27 HB2 SER 27 -2.063 -0.414 2.390 224 2HB SER 27 HB1 SER 27 -2.170 -1.374 3.842 225 HG SER 27 HG SER 27 -0.174 -1.963 3.560 226 H VAL 28 HN VAL 28 -4.160 -0.397 1.653 227 HA VAL 28 HA VAL 28 -6.229 -0.621 3.452 228 HB VAL 28 HB VAL 28 -7.623 0.553 1.786 229 1HG1 VAL 28 HG13 VAL 28 -4.874 1.269 2.490 230 2HG1 VAL 28 HG12 VAL 28 -5.449 2.092 1.040 231 3HG1 VAL 28 HG11 VAL 28 -6.339 2.249 2.555 232 1HG2 VAL 28 HG22 VAL 28 -5.529 -0.567 -0.047 233 2HG2 VAL 28 HG21 VAL 28 -7.278 -0.497 -0.269 234 3HG2 VAL 28 HG23 VAL 28 -6.306 0.962 -0.462 235 H ASN 29 HN ASN 29 -8.359 -1.598 3.365 236 HA ASN 29 HA ASN 29 -8.544 -4.302 2.902 237 1HB ASN 29 HB2 ASN 29 -10.366 -2.294 3.537 238 2HB ASN 29 HB1 ASN 29 -11.018 -2.990 2.056 239 1HD2 ASN 29 HD22 ASN 29 -11.544 -4.996 5.448 240 2HD2 ASN 29 HD21 ASN 29 -11.162 -3.344 5.358 241 H ASN 30 HN ASN 30 -9.818 -5.474 1.150 242 HA ASN 30 HA ASN 30 -8.601 -5.453 -1.318 243 1HB ASN 30 HB2 ASN 30 -11.058 -6.513 -0.249 244 2HB ASN 30 HB1 ASN 30 -11.335 -5.935 -1.893 245 1HD2 ASN 30 HD22 ASN 30 -9.647 -9.458 -1.571 246 2HD2 ASN 30 HD21 ASN 30 -10.733 -8.749 -0.476 247 H ASP 31 HN ASP 31 -11.003 -3.178 -0.158 248 HA ASP 31 HA ASP 31 -10.482 -1.515 -2.545 249 1HB ASP 31 HB2 ASP 31 -13.351 -1.880 -1.745 250 2HB ASP 31 HB1 ASP 31 -12.680 -1.385 -3.300 251 H GLU 32 HN GLU 32 -10.367 -1.606 0.645 252 HA GLU 32 HA GLU 32 -11.969 0.405 1.728 253 1HB GLU 32 HB2 GLU 32 -10.522 -0.568 3.277 254 2HB GLU 32 HB1 GLU 32 -9.119 -0.390 2.230 255 1HG GLU 32 HG2 GLU 32 -8.912 1.915 2.715 256 2HG GLU 32 HG1 GLU 32 -10.559 2.016 3.342 257 H THR 33 HN THR 33 -8.726 0.919 0.305 258 HA THR 33 HA THR 33 -9.613 3.672 -0.458 259 HB THR 33 HB THR 33 -6.757 2.747 -0.127 260 HG1 THR 33 HG1 THR 33 -7.263 4.244 1.858 261 1HG2 THR 33 HG22 THR 33 -8.172 5.348 -0.568 262 2HG2 THR 33 HG21 THR 33 -6.636 5.337 0.301 263 3HG2 THR 33 HG23 THR 33 -6.721 4.718 -1.349 264 H CYS 34 HN CYS 34 -7.954 0.740 -1.503 265 HA CYS 34 HA CYS 34 -6.864 1.313 -3.965 266 1HB CYS 34 HB2 CYS 34 -7.360 -0.983 -2.855 267 2HB CYS 34 HB1 CYS 34 -8.892 -0.913 -3.725 268 H GLU 35 HN GLU 35 -10.293 1.263 -3.148 269 HA GLU 35 HA GLU 35 -11.059 1.866 -5.942 270 1HB GLU 35 HB2 GLU 35 -12.324 0.317 -4.256 271 2HB GLU 35 HB1 GLU 35 -12.984 1.831 -3.636 272 1HG GLU 35 HG2 GLU 35 -14.183 2.257 -5.555 273 2HG GLU 35 HG1 GLU 35 -13.010 1.445 -6.593 274 H GLN 36 HN GLN 36 -12.155 3.345 -2.869 275 HA GLN 36 HA GLN 36 -13.090 5.746 -3.804 276 1HB GLN 36 HB2 GLN 36 -12.012 4.812 -1.292 277 2HB GLN 36 HB1 GLN 36 -11.542 6.491 -1.565 278 1HG GLN 36 HG2 GLN 36 -14.291 6.122 -2.351 279 2HG GLN 36 HG1 GLN 36 -14.064 5.533 -0.704 280 1HE2 GLN 36 HE22 GLN 36 -14.052 9.504 -1.398 281 2HE2 GLN 36 HE21 GLN 36 -14.437 8.375 -2.605 282 H ARG 37 HN ARG 37 -9.746 4.765 -3.708 283 HA ARG 37 HA ARG 37 -8.895 7.470 -4.559 284 1HB ARG 37 HB2 ARG 37 -7.628 5.253 -3.129 285 2HB ARG 37 HB1 ARG 37 -6.608 5.928 -4.401 286 1HG ARG 37 HG2 ARG 37 -7.134 8.223 -3.464 287 2HG ARG 37 HG1 ARG 37 -7.889 7.408 -2.093 288 1HD ARG 37 HD2 ARG 37 -5.817 6.351 -1.477 289 2HD ARG 37 HD1 ARG 37 -5.038 6.884 -2.968 290 HE ARG 37 HE ARG 37 -5.817 9.248 -1.765 291 1HH1 ARG 37 HH21 ARG 37 -4.039 6.443 -0.814 292 2HH1 ARG 37 HH22 ARG 37 -3.022 7.305 0.292 293 1HH2 ARG 37 HH12 ARG 37 -4.496 10.381 -0.326 294 2HH2 ARG 37 HH11 ARG 37 -3.280 9.531 0.568 295 H ALA 38 HN ALA 38 -8.770 4.039 -5.692 296 HA ALA 38 HA ALA 38 -7.536 4.951 -8.205 297 1HB ALA 38 HB2 ALA 38 -7.179 2.653 -7.073 298 2HB ALA 38 HB1 ALA 38 -8.746 2.226 -7.760 299 3HB ALA 38 HB3 ALA 38 -7.412 2.676 -8.821 300 H ALA 39 HN ALA 39 -10.478 5.556 -7.148 301 HA ALA 39 HA ALA 39 -11.627 5.395 -9.871 302 1HB ALA 39 HB3 ALA 39 -12.641 3.912 -7.486 303 2HB ALA 39 HB2 ALA 39 -13.829 4.620 -8.582 304 3HB ALA 39 HB1 ALA 39 -12.658 3.448 -9.187 305 H ARG 40 HN ARG 40 -12.633 6.226 -6.518 306 HA ARG 40 HA ARG 40 -13.917 8.667 -7.623 307 1HB ARG 40 HB2 ARG 40 -14.035 7.800 -4.741 308 2HB ARG 40 HB1 ARG 40 -15.208 8.745 -5.658 309 1HG ARG 40 HG2 ARG 40 -14.561 5.884 -6.379 310 2HG ARG 40 HG1 ARG 40 -15.810 6.287 -5.202 311 1HD ARG 40 HD2 ARG 40 -15.702 7.255 -8.074 312 2HD ARG 40 HD1 ARG 40 -16.802 6.033 -7.435 313 HE ARG 40 HE ARG 40 -17.267 8.241 -5.830 314 1HH1 ARG 40 HH21 ARG 40 -17.193 7.591 -9.221 315 2HH1 ARG 40 HH22 ARG 40 -18.386 8.785 -9.606 316 1HH2 ARG 40 HH12 ARG 40 -18.823 9.800 -6.322 317 2HH2 ARG 40 HH11 ARG 40 -19.308 10.035 -7.968 318 H ILE 41 HN ILE 41 -11.765 9.695 -7.992 319 HA ILE 41 HA ILE 41 -10.432 10.572 -5.472 320 HB ILE 41 HB ILE 41 -9.471 11.025 -8.306 321 1HG1 ILE 41 HG12 ILE 41 -8.000 8.989 -6.934 322 2HG1 ILE 41 HG11 ILE 41 -9.705 8.550 -6.901 323 1HG2 ILE 41 HG23 ILE 41 -8.546 12.377 -6.369 324 2HG2 ILE 41 HG22 ILE 41 -7.950 10.861 -5.694 325 3HG2 ILE 41 HG21 ILE 41 -7.353 11.429 -7.250 326 1HD1 ILE 41 HD11 ILE 41 -9.292 9.497 -9.495 327 2HD1 ILE 41 HD13 ILE 41 -7.848 8.550 -9.141 328 3HD1 ILE 41 HD12 ILE 41 -9.443 7.808 -9.013 329 H SER 42 HN SER 42 -9.931 12.880 -5.243 330 HA SER 42 HA SER 42 -12.151 14.554 -6.174 331 1HB SER 42 HB2 SER 42 -10.314 14.592 -3.994 332 2HB SER 42 HB1 SER 42 -10.098 16.090 -4.893 333 HG SER 42 HG SER 42 -11.806 16.629 -3.754 334 H LEU 43 HN LEU 43 -8.591 14.561 -6.562 335 HA LEU 43 HA LEU 43 -8.950 15.787 -9.219 336 1HB LEU 43 HB2 LEU 43 -7.637 17.734 -8.817 337 2HB LEU 43 HB1 LEU 43 -8.814 17.669 -7.512 338 HG LEU 43 HG LEU 43 -6.824 18.143 -6.377 339 1HD1 LEU 43 HD13 LEU 43 -7.995 16.032 -5.558 340 2HD1 LEU 43 HD12 LEU 43 -6.730 15.122 -6.384 341 3HD1 LEU 43 HD11 LEU 43 -6.310 16.217 -5.067 342 1HD2 LEU 43 HD21 LEU 43 -5.569 17.359 -8.658 343 2HD2 LEU 43 HD23 LEU 43 -4.726 17.686 -7.143 344 3HD2 LEU 43 HD22 LEU 43 -5.139 16.028 -7.583 345 H GLY 44 HN GLY 44 -7.614 13.393 -7.609 346 1HA GLY 44 HA2 GLY 44 -5.896 11.910 -8.255 347 2HA GLY 44 HA1 GLY 44 -5.476 13.030 -9.547 348 HA PRO 45 HA PRO 45 -3.395 14.834 -5.435 349 1HB PRO 45 HB2 PRO 45 -3.299 12.516 -3.716 350 2HB PRO 45 HB1 PRO 45 -4.001 14.103 -3.387 351 1HG PRO 45 HG2 PRO 45 -5.382 11.672 -3.852 352 2HG PRO 45 HG1 PRO 45 -6.077 13.282 -3.646 353 1HD PRO 45 HD2 PRO 45 -5.973 11.699 -6.025 354 2HD PRO 45 HD1 PRO 45 -6.665 13.312 -5.820 355 H ARG 46 HN ARG 46 -2.845 11.306 -5.232 356 HA ARG 46 HA ARG 46 -0.659 11.196 -7.044 357 1HB ARG 46 HB2 ARG 46 0.217 12.775 -5.171 358 2HB ARG 46 HB1 ARG 46 0.344 11.304 -4.204 359 1HG ARG 46 HG2 ARG 46 2.098 10.499 -5.419 360 2HG ARG 46 HG1 ARG 46 1.448 11.107 -6.943 361 1HD ARG 46 HD2 ARG 46 2.051 13.451 -6.060 362 2HD ARG 46 HD1 ARG 46 3.020 12.612 -4.849 363 HE ARG 46 HE ARG 46 3.833 11.492 -7.254 364 1HH1 ARG 46 HH21 ARG 46 3.537 14.672 -5.938 365 2HH1 ARG 46 HH22 ARG 46 4.850 15.317 -6.865 366 1HH2 ARG 46 HH12 ARG 46 5.546 12.323 -8.468 367 2HH2 ARG 46 HH11 ARG 46 5.986 13.990 -8.295 368 H CYS 47 HN CYS 47 -1.614 10.002 -3.789 369 HA CYS 47 HA CYS 47 -0.540 7.410 -4.154 370 1HB CYS 47 HB2 CYS 47 -3.053 7.950 -2.550 371 2HB CYS 47 HB1 CYS 47 -1.900 6.664 -2.298 372 H ILE 48 HN ILE 48 -3.559 8.815 -5.245 373 HA ILE 48 HA ILE 48 -4.778 6.342 -5.897 374 HB ILE 48 HB ILE 48 -6.312 7.610 -7.246 375 1HG1 ILE 48 HG12 ILE 48 -4.568 8.881 -8.556 376 2HG1 ILE 48 HG11 ILE 48 -5.926 9.863 -8.033 377 1HG2 ILE 48 HG23 ILE 48 -5.514 8.453 -4.635 378 2HG2 ILE 48 HG22 ILE 48 -6.032 9.869 -5.549 379 3HG2 ILE 48 HG21 ILE 48 -7.122 8.496 -5.357 380 1HD1 ILE 48 HD13 ILE 48 -4.544 10.503 -5.999 381 2HD1 ILE 48 HD12 ILE 48 -3.165 9.754 -6.798 382 3HD1 ILE 48 HD11 ILE 48 -3.967 11.138 -7.539 383 H LYS 49 HN LYS 49 -2.844 8.510 -8.068 384 HA LYS 49 HA LYS 49 -2.894 6.683 -10.259 385 1HB LYS 49 HB2 LYS 49 -0.808 8.752 -9.507 386 2HB LYS 49 HB1 LYS 49 -0.956 7.977 -11.081 387 1HG LYS 49 HG2 LYS 49 -2.919 9.100 -11.611 388 2HG LYS 49 HG1 LYS 49 -3.356 9.338 -9.918 389 1HD LYS 49 HD2 LYS 49 -1.966 11.178 -9.673 390 2HD LYS 49 HD1 LYS 49 -0.865 10.645 -10.945 391 1HE LYS 49 HE2 LYS 49 -3.643 11.245 -11.802 392 2HE LYS 49 HE1 LYS 49 -2.675 12.629 -11.298 393 1HZ LYS 49 HZ2 LYS 49 -0.954 11.215 -12.825 394 2HZ LYS 49 HZ1 LYS 49 -2.427 10.974 -13.636 395 3HZ LYS 49 HZ3 LYS 49 -1.862 12.549 -13.357 396 H ALA 50 HN ALA 50 -0.154 7.369 -8.048 397 HA ALA 50 HA ALA 50 1.520 5.236 -8.795 398 1HB ALA 50 HB1 ALA 50 2.117 6.976 -7.096 399 2HB ALA 50 HB3 ALA 50 1.043 6.168 -5.955 400 3HB ALA 50 HB2 ALA 50 2.470 5.332 -6.562 401 H PHE 51 HN PHE 51 -0.593 5.284 -6.018 402 HA PHE 51 HA PHE 51 -0.381 2.513 -5.608 403 1HB PHE 51 HB2 PHE 51 -1.276 3.044 -3.680 404 2HB PHE 51 HB1 PHE 51 -1.290 4.698 -4.181 405 HD1 PHE 51 HD1 PHE 51 -3.578 4.423 -6.233 406 HD2 PHE 51 HD2 PHE 51 -3.114 3.054 -2.220 407 HE1 PHE 51 HE1 PHE 51 -6.032 4.375 -5.967 408 HE2 PHE 51 HE2 PHE 51 -5.563 3.022 -1.943 409 HZ PHE 51 HZ PHE 51 -7.029 3.675 -3.825 410 H THR 52 HN THR 52 -2.187 4.122 -7.988 411 HA THR 52 HA THR 52 -4.469 2.285 -8.005 412 HB THR 52 HB THR 52 -3.513 4.504 -9.783 413 HG1 THR 52 HG1 THR 52 -6.183 3.997 -9.310 414 1HG2 THR 52 HG21 THR 52 -5.269 2.213 -10.680 415 2HG2 THR 52 HG23 THR 52 -5.371 3.813 -11.417 416 3HG2 THR 52 HG22 THR 52 -3.866 2.898 -11.503 417 H GLU 53 HN GLU 53 -1.492 2.731 -9.926 418 HA GLU 53 HA GLU 53 -1.975 0.220 -11.376 419 1HB GLU 53 HB2 GLU 53 0.679 1.657 -11.120 420 2HB GLU 53 HB1 GLU 53 0.124 0.615 -12.432 421 1HG GLU 53 HG2 GLU 53 -1.547 3.003 -11.840 422 2HG GLU 53 HG1 GLU 53 0.022 3.303 -12.586 423 H CYS 54 HN CYS 54 -0.406 1.236 -8.442 424 HA CYS 54 HA CYS 54 1.102 -1.231 -8.063 425 1HB CYS 54 HB2 CYS 54 2.045 0.587 -6.967 426 2HB CYS 54 HB1 CYS 54 0.486 1.218 -6.422 427 H CYS 55 HN CYS 55 -2.052 -0.008 -7.073 428 HA CYS 55 HA CYS 55 -2.554 -2.256 -5.278 429 1HB CYS 55 HB2 CYS 55 -3.623 0.021 -4.978 430 2HB CYS 55 HB1 CYS 55 -4.603 -0.307 -6.404 431 H VAL 56 HN VAL 56 -3.510 -1.285 -8.550 432 HA VAL 56 HA VAL 56 -5.232 -3.517 -9.057 433 HB VAL 56 HB VAL 56 -4.937 -2.964 -11.429 434 1HG1 VAL 56 HG12 VAL 56 -5.271 -0.769 -9.418 435 2HG1 VAL 56 HG11 VAL 56 -5.212 -0.343 -11.128 436 3HG1 VAL 56 HG13 VAL 56 -6.452 -1.449 -10.538 437 1HG2 VAL 56 HG22 VAL 56 -2.644 -1.266 -10.398 438 2HG2 VAL 56 HG21 VAL 56 -2.536 -2.635 -11.504 439 3HG2 VAL 56 HG23 VAL 56 -3.305 -1.138 -12.028 440 H VAL 57 HN VAL 57 -1.749 -2.966 -9.733 441 HA VAL 57 HA VAL 57 -1.275 -5.548 -10.854 442 HB VAL 57 HB VAL 57 0.438 -3.853 -11.041 443 1HG1 VAL 57 HG11 VAL 57 -0.291 -3.030 -8.585 444 2HG1 VAL 57 HG13 VAL 57 1.152 -3.950 -8.156 445 3HG1 VAL 57 HG12 VAL 57 1.263 -2.612 -9.301 446 1HG2 VAL 57 HG23 VAL 57 0.910 -6.465 -10.199 447 2HG2 VAL 57 HG22 VAL 57 2.109 -5.375 -10.895 448 3HG2 VAL 57 HG21 VAL 57 1.938 -5.496 -9.144 449 H ALA 58 HN ALA 58 -0.850 -4.414 -7.471 450 HA ALA 58 HA ALA 58 -0.035 -6.774 -6.264 451 1HB ALA 58 HB1 ALA 58 -0.641 -4.446 -5.232 452 2HB ALA 58 HB3 ALA 58 -2.230 -5.170 -4.986 453 3HB ALA 58 HB2 ALA 58 -0.806 -5.894 -4.239 454 H SER 59 HN SER 59 -3.457 -5.827 -6.638 455 HA SER 59 HA SER 59 -4.491 -8.385 -5.842 456 1HB SER 59 HB2 SER 59 -6.217 -7.009 -7.727 457 2HB SER 59 HB1 SER 59 -6.471 -7.321 -6.011 458 HG SER 59 HG SER 59 -5.758 -5.384 -5.555 459 H GLN 60 HN GLN 60 -4.795 -6.952 -9.066 460 HA GLN 60 HA GLN 60 -5.531 -8.951 -10.661 461 1HB GLN 60 HB2 GLN 60 -3.300 -6.983 -11.094 462 2HB GLN 60 HB1 GLN 60 -3.703 -8.159 -12.346 463 1HG GLN 60 HG2 GLN 60 -6.129 -6.986 -11.334 464 2HG GLN 60 HG1 GLN 60 -5.013 -5.703 -11.805 465 1HE2 GLN 60 HE22 GLN 60 -6.887 -6.727 -14.868 466 2HE2 GLN 60 HE21 GLN 60 -7.307 -6.049 -13.368 467 H LEU 61 HN LEU 61 -1.984 -8.666 -10.018 468 HA LEU 61 HA LEU 61 -1.537 -11.333 -11.024 469 1HB LEU 61 HB2 LEU 61 0.337 -10.282 -8.991 470 2HB LEU 61 HB1 LEU 61 0.668 -11.090 -10.513 471 HG LEU 61 HG LEU 61 0.218 -8.223 -9.939 472 1HD1 LEU 61 HD11 LEU 61 2.460 -9.285 -10.323 473 2HD1 LEU 61 HD13 LEU 61 1.945 -9.631 -11.975 474 3HD1 LEU 61 HD12 LEU 61 2.090 -7.959 -11.428 475 1HD2 LEU 61 HD23 LEU 61 -1.009 -9.676 -12.181 476 2HD2 LEU 61 HD22 LEU 61 -1.310 -8.027 -11.627 477 3HD2 LEU 61 HD21 LEU 61 0.046 -8.361 -12.707 478 H ARG 62 HN ARG 62 -1.856 -10.044 -7.713 479 HA ARG 62 HA ARG 62 -1.297 -12.269 -6.213 480 1HB ARG 62 HB2 ARG 62 -3.197 -10.054 -5.926 481 2HB ARG 62 HB1 ARG 62 -3.746 -11.517 -5.107 482 1HG ARG 62 HG2 ARG 62 -1.534 -11.688 -3.983 483 2HG ARG 62 HG1 ARG 62 -1.050 -10.175 -4.749 484 1HD ARG 62 HD2 ARG 62 -2.893 -8.998 -3.633 485 2HD ARG 62 HD1 ARG 62 -3.425 -10.508 -2.894 486 HE ARG 62 HE ARG 62 -0.788 -10.278 -2.085 487 1HH1 ARG 62 HH21 ARG 62 -3.603 -8.276 -2.015 488 2HH1 ARG 62 HH22 ARG 62 -3.144 -7.462 -0.558 489 1HH2 ARG 62 HH12 ARG 62 -0.182 -9.222 -0.182 490 2HH2 ARG 62 HH11 ARG 62 -1.212 -7.996 0.479 491 H ALA 63 HN ALA 63 -4.365 -11.806 -8.017 492 HA ALA 63 HA ALA 63 -5.578 -14.269 -7.321 493 1HB ALA 63 HB1 ALA 63 -6.329 -12.321 -8.993 494 2HB ALA 63 HB3 ALA 63 -5.616 -13.397 -10.194 495 3HB ALA 63 HB2 ALA 63 -6.947 -13.962 -9.185 496 H ASN 64 HN ASN 64 -3.381 -13.521 -10.023 497 HA ASN 64 HA ASN 64 -2.171 -16.218 -9.718 498 1HB ASN 64 HB2 ASN 64 -3.919 -16.346 -11.512 499 2HB ASN 64 HB1 ASN 64 -3.040 -15.101 -12.400 500 1HD2 ASN 64 HD22 ASN 64 -1.649 -18.132 -13.850 501 2HD2 ASN 64 HD21 ASN 64 -3.004 -17.119 -13.990 502 H ILE 65 HN ILE 65 -0.405 -14.813 -8.778 503 HA ILE 65 HA ILE 65 0.938 -12.920 -10.585 504 HB ILE 65 HB ILE 65 2.560 -13.855 -8.324 505 1HG1 ILE 65 HG12 ILE 65 -0.202 -12.745 -7.816 506 2HG1 ILE 65 HG11 ILE 65 0.452 -14.270 -7.220 507 1HG2 ILE 65 HG21 ILE 65 2.177 -11.511 -9.823 508 2HG2 ILE 65 HG23 ILE 65 1.595 -11.116 -8.207 509 3HG2 ILE 65 HG22 ILE 65 3.234 -11.704 -8.432 510 1HD1 ILE 65 HD11 ILE 65 2.259 -12.862 -6.070 511 2HD1 ILE 65 HD13 ILE 65 1.244 -11.464 -6.425 512 3HD1 ILE 65 HD12 ILE 65 0.634 -12.756 -5.391 513 H SER 66 HN SER 66 0.786 -15.485 -11.800 514 HA SER 66 HA SER 66 3.585 -16.485 -11.579 515 1HB SER 66 HB2 SER 66 1.497 -18.029 -11.307 516 2HB SER 66 HB1 SER 66 1.377 -17.901 -13.059 517 HG SER 66 HG SER 66 3.871 -18.461 -11.926 518 H HIS 67 HN HIS 67 1.684 -14.477 -13.452 519 HA HIS 67 HA HIS 67 3.179 -15.151 -15.949 520 1HB HIS 67 HB2 HIS 67 0.525 -14.839 -15.721 521 2HB HIS 67 HB1 HIS 67 0.967 -13.148 -15.958 522 HD1 HIS 67 HD1 HIS 67 -0.561 -14.243 -18.238 523 HD2 HIS 67 HD2 HIS 67 3.564 -14.776 -17.973 524 HE1 HIS 67 HE1 HIS 67 0.252 -14.720 -20.588 525 H LYS 68 HN LYS 68 2.650 -12.472 -17.048 526 HA LYS 68 HA LYS 68 5.050 -11.160 -16.311 527 1HB LYS 68 HB2 LYS 68 2.552 -10.321 -17.742 528 2HB LYS 68 HB1 LYS 68 3.726 -9.086 -17.285 529 1HG LYS 68 HG2 LYS 68 4.496 -11.598 -18.786 530 2HG LYS 68 HG1 LYS 68 4.055 -10.095 -19.598 531 1HD LYS 68 HD2 LYS 68 5.840 -8.928 -18.271 532 2HD LYS 68 HD1 LYS 68 6.342 -10.501 -17.652 533 1HE LYS 68 HE2 LYS 68 6.604 -11.247 -20.064 534 2HE LYS 68 HE1 LYS 68 6.372 -9.562 -20.530 535 1HZ LYS 68 HZ3 LYS 68 8.287 -9.865 -18.427 536 2HZ LYS 68 HZ2 LYS 68 8.734 -10.719 -19.825 537 3HZ LYS 68 HZ1 LYS 68 8.428 -9.049 -19.908 538 H ASP 69 HN ASP 69 4.968 -8.775 -15.409 539 HA ASP 69 HA ASP 69 3.100 -8.678 -13.080 540 1HB ASP 69 HB2 ASP 69 6.085 -8.148 -13.078 541 2HB ASP 69 HB1 ASP 69 5.010 -7.752 -11.736 542 H MET 70 HN MET 70 2.160 -6.693 -12.793 543 HA MET 70 HA MET 70 2.874 -4.565 -14.714 544 1HB MET 70 HB2 MET 70 0.471 -5.430 -13.504 545 2HB MET 70 HB1 MET 70 0.797 -3.831 -12.842 546 1HG MET 70 HG2 MET 70 -0.106 -3.024 -14.750 547 2HG MET 70 HG1 MET 70 1.406 -3.513 -15.520 548 1HE MET 70 HE3 MET 70 -1.809 -4.343 -14.204 549 2HE MET 70 HE2 MET 70 -2.682 -4.570 -15.717 550 3HE MET 70 HE1 MET 70 -2.224 -5.972 -14.753 551 H CYS 71 HN CYS 71 1.967 -2.396 -13.029 552 HA CYS 71 HA CYS 71 4.343 -1.427 -11.952 553 1HB CYS 71 HB2 CYS 71 1.458 -0.908 -11.224 554 2HB CYS 71 HB1 CYS 71 2.774 -0.018 -10.449 555 1H CYS 72 HN3 CYS 72 3.107 4.722 -11.807 556 2H CYS 72 HN2 CYS 72 1.727 3.744 -11.962 557 3H CYS 72 HN1 CYS 72 1.650 5.194 -11.079 558 HA CYS 72 HA CYS 72 1.776 3.552 -9.445 559 1HB CYS 72 HB2 CYS 72 3.971 2.030 -9.776 560 2HB CYS 72 HB1 CYS 72 2.334 1.555 -10.209 561 H LEU 73 HN LEU 73 5.092 3.731 -10.670 562 HA LEU 73 HA LEU 73 6.325 4.412 -8.293 563 1HB LEU 73 HB2 LEU 73 8.170 5.304 -9.610 564 2HB LEU 73 HB1 LEU 73 7.503 3.900 -10.445 565 HG LEU 73 HG LEU 73 6.141 6.372 -11.193 566 1HD1 LEU 73 HD12 LEU 73 8.898 6.655 -10.789 567 2HD1 LEU 73 HD11 LEU 73 8.729 6.384 -12.523 568 3HD1 LEU 73 HD13 LEU 73 7.867 7.714 -11.749 569 1HD2 LEU 73 HD21 LEU 73 6.208 4.021 -12.293 570 2HD2 LEU 73 HD23 LEU 73 6.299 5.425 -13.355 571 3HD2 LEU 73 HD22 LEU 73 7.763 4.529 -12.951 572 H GLY 74 HN GLY 74 7.438 6.697 -7.926 573 1HA GLY 74 HA2 GLY 74 5.486 8.875 -8.498 574 2HA GLY 74 HA1 GLY 74 5.985 8.582 -6.831 575 1HN DAR 75 HN ARG 75 7.342 9.284 -10.059 576 HA DAR 75 HA ARG 75 9.973 9.884 -9.405 577 1HB DAR 75 HB1 ARG 75 8.167 11.705 -8.101 578 2HB DAR 75 HB2 ARG 75 9.121 12.590 -9.292 579 1HG DAR 75 HG1 ARG 75 11.147 12.052 -8.258 580 2HG DAR 75 HG2 ARG 75 10.477 10.627 -7.463 581 1HD DAR 75 HD1 ARG 75 10.461 12.025 -5.643 582 2HD DAR 75 HD2 ARG 75 8.926 12.542 -6.345 583 HNE DAR 75 HE ARG 75 11.184 14.037 -7.405 584 1HH1 DAR 75 HH11 ARG 75 11.301 16.207 -6.800 585 2HH1 DAR 75 HH12 ARG 75 10.360 16.773 -5.461 586 1HH2 DAR 75 HH21 ARG 75 8.942 13.680 -4.802 587 2HH2 DAR 75 HH22 ARG 75 9.026 15.344 -4.333 No H/Q in entry = 587 Start of MODEL 16 1 1H MET 1 HN1 MET 1 17.047 -14.544 4.630 2 2H MET 1 HN3 MET 1 17.635 -13.272 5.587 3 3H MET 1 HN2 MET 1 16.150 -14.006 5.968 4 HA MET 1 HA MET 1 15.331 -12.202 4.905 5 1HB MET 1 HB2 MET 1 18.079 -12.125 3.870 6 2HB MET 1 HB1 MET 1 16.877 -11.582 2.699 7 1HG MET 1 HG2 MET 1 16.289 -10.514 5.328 8 2HG MET 1 HG1 MET 1 17.931 -10.094 4.839 9 1HE MET 1 HE1 MET 1 14.683 -9.292 5.124 10 2HE MET 1 HE3 MET 1 15.417 -7.684 5.041 11 3HE MET 1 HE2 MET 1 14.181 -8.154 3.877 12 H LEU 2 HN LEU 2 14.409 -11.838 2.610 13 HA LEU 2 HA LEU 2 14.552 -14.100 0.779 14 1HB LEU 2 HB2 LEU 2 11.987 -14.467 1.000 15 2HB LEU 2 HB1 LEU 2 13.044 -15.227 2.185 16 HG LEU 2 HG LEU 2 10.994 -14.033 3.122 17 1HD1 LEU 2 HD13 LEU 2 13.452 -14.435 4.181 18 2HD1 LEU 2 HD12 LEU 2 13.352 -12.679 4.308 19 3HD1 LEU 2 HD11 LEU 2 12.127 -13.690 5.075 20 1HD2 LEU 2 HD23 LEU 2 11.379 -12.044 1.509 21 2HD2 LEU 2 HD22 LEU 2 10.918 -11.672 3.169 22 3HD2 LEU 2 HD21 LEU 2 12.599 -11.518 2.667 23 H GLN 3 HN GLN 3 12.469 -13.749 -0.829 24 HA GLN 3 HA GLN 3 12.721 -10.900 -1.642 25 1HB GLN 3 HB2 GLN 3 13.139 -12.974 -3.189 26 2HB GLN 3 HB1 GLN 3 11.379 -13.030 -3.289 27 1HG GLN 3 HG2 GLN 3 11.594 -10.468 -3.806 28 2HG GLN 3 HG1 GLN 3 13.256 -10.881 -4.229 29 1HE2 GLN 3 HE21 GLN 3 13.085 -10.720 -6.526 30 2HE2 GLN 3 HE22 GLN 3 12.059 -11.707 -7.449 31 H LYS 4 HN LYS 4 10.852 -9.625 -2.047 32 HA LYS 4 HA LYS 4 8.353 -10.715 -0.818 33 1HB LYS 4 HB2 LYS 4 9.373 -7.866 -1.014 34 2HB LYS 4 HB1 LYS 4 7.777 -8.306 -0.404 35 1HG LYS 4 HG2 LYS 4 8.817 -9.681 1.356 36 2HG LYS 4 HG1 LYS 4 10.418 -9.266 0.741 37 1HD LYS 4 HD2 LYS 4 10.130 -6.951 1.307 38 2HD LYS 4 HD1 LYS 4 8.415 -7.185 1.649 39 1HE LYS 4 HE2 LYS 4 8.812 -8.069 3.716 40 2HE LYS 4 HE1 LYS 4 10.262 -8.918 3.184 41 1HZ LYS 4 HZ1 LYS 4 10.833 -6.225 2.987 42 2HZ LYS 4 HZ3 LYS 4 10.038 -6.407 4.475 43 3HZ LYS 4 HZ2 LYS 4 11.432 -7.319 4.141 44 H LYS 5 HN LYS 5 6.325 -10.034 -1.832 45 HA LYS 5 HA LYS 5 6.525 -10.054 -4.741 46 1HB LYS 5 HB2 LYS 5 4.053 -9.697 -3.022 47 2HB LYS 5 HB1 LYS 5 4.108 -10.222 -4.706 48 1HG LYS 5 HG2 LYS 5 5.583 -12.160 -3.871 49 2HG LYS 5 HG1 LYS 5 5.044 -11.712 -2.252 50 1HD LYS 5 HD2 LYS 5 2.712 -11.755 -3.825 51 2HD LYS 5 HD1 LYS 5 3.622 -13.191 -4.295 52 1HE LYS 5 HE2 LYS 5 3.948 -13.360 -1.636 53 2HE LYS 5 HE1 LYS 5 2.413 -12.492 -1.664 54 1HZ LYS 5 HZ2 LYS 5 2.711 -14.791 -3.444 55 2HZ LYS 5 HZ1 LYS 5 2.524 -15.103 -1.785 56 3HZ LYS 5 HZ3 LYS 5 1.336 -14.227 -2.620 57 H ILE 6 HN ILE 6 3.885 -8.103 -3.942 58 HA ILE 6 HA ILE 6 5.076 -5.818 -5.269 59 HB ILE 6 HB ILE 6 2.409 -6.439 -4.032 60 1HG1 ILE 6 HG12 ILE 6 3.110 -7.012 -6.421 61 2HG1 ILE 6 HG11 ILE 6 1.624 -6.078 -6.263 62 1HG2 ILE 6 HG21 ILE 6 3.306 -3.686 -4.942 63 2HG2 ILE 6 HG23 ILE 6 1.654 -4.138 -4.521 64 3HG2 ILE 6 HG22 ILE 6 2.912 -4.141 -3.285 65 1HD1 ILE 6 HD11 ILE 6 3.842 -4.261 -6.368 66 2HD1 ILE 6 HD13 ILE 6 3.965 -5.386 -7.721 67 3HD1 ILE 6 HD12 ILE 6 2.503 -4.425 -7.504 68 H GLU 7 HN GLU 7 5.397 -6.962 -2.159 69 HA GLU 7 HA GLU 7 5.117 -4.735 -0.470 70 1HB GLU 7 HB2 GLU 7 6.220 -7.267 -0.231 71 2HB GLU 7 HB1 GLU 7 7.612 -6.209 -0.005 72 1HG GLU 7 HG2 GLU 7 6.869 -6.121 2.152 73 2HG GLU 7 HG1 GLU 7 5.762 -4.909 1.508 74 H GLU 8 HN GLU 8 8.290 -5.714 -1.821 75 HA GLU 8 HA GLU 8 9.376 -3.061 -1.470 76 1HB GLU 8 HB2 GLU 8 11.296 -3.900 -2.764 77 2HB GLU 8 HB1 GLU 8 10.798 -5.111 -1.582 78 1HG GLU 8 HG2 GLU 8 9.552 -6.326 -3.305 79 2HG GLU 8 HG1 GLU 8 9.956 -5.089 -4.496 80 H ILE 9 HN ILE 9 7.663 -4.673 -4.099 81 HA ILE 9 HA ILE 9 8.299 -2.936 -6.239 82 HB ILE 9 HB ILE 9 5.552 -4.031 -5.517 83 1HG1 ILE 9 HG12 ILE 9 7.465 -5.706 -5.758 84 2HG1 ILE 9 HG11 ILE 9 6.108 -5.942 -6.860 85 1HG2 ILE 9 HG23 ILE 9 6.681 -2.599 -7.880 86 2HG2 ILE 9 HG22 ILE 9 5.556 -3.919 -8.195 87 3HG2 ILE 9 HG21 ILE 9 5.052 -2.547 -7.209 88 1HD1 ILE 9 HD13 ILE 9 8.564 -4.340 -7.609 89 2HD1 ILE 9 HD12 ILE 9 8.414 -6.068 -7.930 90 3HD1 ILE 9 HD11 ILE 9 7.293 -4.931 -8.680 91 H ALA 10 HN ALA 10 6.444 -2.531 -3.341 92 HA ALA 10 HA ALA 10 5.504 0.173 -4.075 93 1HB ALA 10 HB3 ALA 10 4.092 -1.415 -2.696 94 2HB ALA 10 HB2 ALA 10 5.296 -1.282 -1.415 95 3HB ALA 10 HB1 ALA 10 4.382 0.141 -1.918 96 H ALA 11 HN ALA 11 7.918 -1.491 -2.143 97 HA ALA 11 HA ALA 11 8.872 0.637 -0.568 98 1HB ALA 11 HB3 ALA 11 10.468 -1.588 -1.844 99 2HB ALA 11 HB2 ALA 11 11.031 -0.558 -0.527 100 3HB ALA 11 HB1 ALA 11 9.674 -1.654 -0.270 101 H LYS 12 HN LYS 12 9.129 0.069 -3.976 102 HA LYS 12 HA LYS 12 11.350 1.985 -4.309 103 1HB LYS 12 HB2 LYS 12 9.833 0.139 -6.128 104 2HB LYS 12 HB1 LYS 12 10.774 1.462 -6.816 105 1HG LYS 12 HG2 LYS 12 12.668 0.286 -6.531 106 2HG LYS 12 HG1 LYS 12 12.355 0.178 -4.798 107 1HD LYS 12 HD2 LYS 12 12.315 -2.070 -5.319 108 2HD LYS 12 HD1 LYS 12 10.618 -1.682 -5.603 109 1HE LYS 12 HE2 LYS 12 10.816 -2.204 -7.783 110 2HE LYS 12 HE1 LYS 12 12.156 -1.072 -7.964 111 1HZ LYS 12 HZ2 LYS 12 12.453 -3.792 -6.819 112 2HZ LYS 12 HZ1 LYS 12 12.709 -3.434 -8.460 113 3HZ LYS 12 HZ3 LYS 12 13.691 -2.721 -7.276 114 H TYR 13 HN TYR 13 7.878 2.006 -4.413 115 HA TYR 13 HA TYR 13 7.511 4.196 -6.221 116 1HB TYR 13 HB2 TYR 13 5.862 3.162 -3.887 117 2HB TYR 13 HB1 TYR 13 5.360 4.566 -4.811 118 HD1 TYR 13 HD1 TYR 13 7.064 1.482 -5.955 119 HD2 TYR 13 HD2 TYR 13 3.443 3.819 -6.131 120 HE1 TYR 13 HE1 TYR 13 6.186 -0.020 -7.698 121 HE2 TYR 13 HE2 TYR 13 2.602 2.323 -7.886 122 HH TYR 13 HH TYR 13 2.892 0.160 -8.763 123 H LYS 14 HN LYS 14 9.002 5.790 -5.891 124 HA LYS 14 HA LYS 14 10.489 7.038 -4.346 125 1HB LYS 14 HB2 LYS 14 8.368 8.230 -5.797 126 2HB LYS 14 HB1 LYS 14 8.485 9.078 -4.254 127 1HG LYS 14 HG2 LYS 14 9.999 10.190 -5.733 128 2HG LYS 14 HG1 LYS 14 10.991 9.215 -4.650 129 1HD LYS 14 HD2 LYS 14 11.285 7.510 -6.319 130 2HD LYS 14 HD1 LYS 14 10.075 8.250 -7.369 131 1HE LYS 14 HE2 LYS 14 11.837 10.330 -6.947 132 2HE LYS 14 HE1 LYS 14 12.911 8.934 -7.016 133 1HZ LYS 14 HZ3 LYS 14 10.849 9.624 -9.039 134 2HZ LYS 14 HZ2 LYS 14 12.522 9.870 -9.211 135 3HZ LYS 14 HZ1 LYS 14 11.897 8.292 -9.107 136 H HIS 15 HN HIS 15 10.871 6.648 -2.249 137 HA HIS 15 HA HIS 15 9.054 6.146 -0.192 138 1HB HIS 15 HB2 HIS 15 10.844 6.834 1.365 139 2HB HIS 15 HB1 HIS 15 11.486 5.850 0.052 140 HD1 HIS 15 HD1 HIS 15 13.130 8.044 1.688 141 HD2 HIS 15 HD2 HIS 15 11.472 8.550 -2.103 142 HE1 HIS 15 HE1 HIS 15 14.435 9.906 0.578 143 H SER 16 HN SER 16 9.754 9.182 -1.718 144 HA SER 16 HA SER 16 9.186 11.101 0.194 145 1HB SER 16 HB2 SER 16 9.061 10.952 -2.649 146 2HB SER 16 HB1 SER 16 7.580 11.727 -2.095 147 HG SER 16 HG SER 16 10.234 12.544 -1.893 148 H VAL 17 HN VAL 17 6.536 10.109 -1.943 149 HA VAL 17 HA VAL 17 4.807 9.687 0.445 150 HB VAL 17 HB VAL 17 4.247 11.508 -1.912 151 1HG1 VAL 17 HG13 VAL 17 2.423 9.997 -0.116 152 2HG1 VAL 17 HG12 VAL 17 2.022 11.693 -0.389 153 3HG1 VAL 17 HG11 VAL 17 2.155 10.587 -1.756 154 1HG2 VAL 17 HG22 VAL 17 4.554 11.833 1.068 155 2HG2 VAL 17 HG21 VAL 17 5.304 12.763 -0.229 156 3HG2 VAL 17 HG23 VAL 17 3.595 12.988 0.143 157 H VAL 18 HN VAL 18 5.124 9.471 -3.082 158 HA VAL 18 HA VAL 18 3.061 7.729 -3.746 159 HB VAL 18 HB VAL 18 4.657 8.640 -5.386 160 1HG1 VAL 18 HG13 VAL 18 6.512 6.928 -3.777 161 2HG1 VAL 18 HG12 VAL 18 6.864 7.193 -5.483 162 3HG1 VAL 18 HG11 VAL 18 6.751 8.565 -4.379 163 1HG2 VAL 18 HG22 VAL 18 3.734 5.921 -5.257 164 2HG2 VAL 18 HG21 VAL 18 3.972 6.930 -6.685 165 3HG2 VAL 18 HG23 VAL 18 5.302 5.956 -6.062 166 H LYS 19 HN LYS 19 5.867 7.060 -1.791 167 HA LYS 19 HA LYS 19 5.877 4.203 -2.112 168 1HB LYS 19 HB2 LYS 19 7.845 4.957 -1.147 169 2HB LYS 19 HB1 LYS 19 7.024 6.160 -0.163 170 1HG LYS 19 HG2 LYS 19 6.743 4.704 1.567 171 2HG LYS 19 HG1 LYS 19 6.294 3.379 0.494 172 1HD LYS 19 HD2 LYS 19 8.372 2.522 0.563 173 2HD LYS 19 HD1 LYS 19 9.088 4.081 0.150 174 1HE LYS 19 HE2 LYS 19 9.444 4.653 2.348 175 2HE LYS 19 HE1 LYS 19 8.015 3.787 2.910 176 1HZ LYS 19 HZ1 LYS 19 9.225 1.696 2.434 177 2HZ LYS 19 HZ3 LYS 19 10.614 2.608 2.100 178 3HZ LYS 19 HZ2 LYS 19 9.940 2.631 3.659 179 H LYS 20 HN LYS 20 5.027 5.826 0.957 180 HA LYS 20 HA LYS 20 3.469 3.770 2.007 181 1HB LYS 20 HB2 LYS 20 4.110 6.217 2.909 182 2HB LYS 20 HB1 LYS 20 2.444 6.541 2.430 183 1HG LYS 20 HG2 LYS 20 2.484 4.029 3.782 184 2HG LYS 20 HG1 LYS 20 3.374 5.188 4.771 185 1HD LYS 20 HD2 LYS 20 0.883 6.249 3.598 186 2HD LYS 20 HD1 LYS 20 0.645 4.946 4.763 187 1HE LYS 20 HE2 LYS 20 2.179 6.199 6.337 188 2HE LYS 20 HE1 LYS 20 2.128 7.550 5.205 189 1HZ LYS 20 HZ2 LYS 20 -0.366 6.328 6.194 190 2HZ LYS 20 HZ1 LYS 20 0.450 7.490 7.128 191 3HZ LYS 20 HZ3 LYS 20 -0.113 7.892 5.579 192 H CYS 21 HN CYS 21 2.683 5.894 -0.606 193 HA CYS 21 HA CYS 21 -0.208 5.621 -0.572 194 1HB CYS 21 HB2 CYS 21 1.687 6.046 -2.879 195 2HB CYS 21 HB1 CYS 21 -0.055 6.258 -2.864 196 H CYS 22 HN CYS 22 2.173 4.214 -2.830 197 HA CYS 22 HA CYS 22 0.481 2.336 -3.978 198 1HB CYS 22 HB2 CYS 22 2.393 2.494 -5.107 199 2HB CYS 22 HB1 CYS 22 3.406 2.614 -3.679 200 H TYR 23 HN TYR 23 2.407 2.146 -1.009 201 HA TYR 23 HA TYR 23 1.846 -0.583 -0.366 202 1HB TYR 23 HB2 TYR 23 2.539 1.858 1.253 203 2HB TYR 23 HB1 TYR 23 2.019 0.390 2.079 204 HD1 TYR 23 HD2 TYR 23 4.552 1.842 -0.166 205 HD2 TYR 23 HD1 TYR 23 3.435 -1.568 2.173 206 HE1 TYR 23 HE2 TYR 23 6.840 0.930 -0.420 207 HE2 TYR 23 HE1 TYR 23 5.722 -2.497 1.914 208 HH TYR 23 HH TYR 23 7.765 -2.153 1.122 209 H ASP 24 HN ASP 24 0.212 2.474 0.194 210 HA ASP 24 HA ASP 24 -1.983 1.557 1.748 211 1HB ASP 24 HB2 ASP 24 -1.554 3.940 -0.096 212 2HB ASP 24 HB1 ASP 24 -3.145 3.614 0.613 213 H GLY 25 HN GLY 25 -1.330 1.458 -1.684 214 1HA GLY 25 HA2 GLY 25 -4.022 0.852 -2.535 215 2HA GLY 25 HA1 GLY 25 -2.551 0.598 -3.476 216 H ALA 26 HN ALA 26 -1.098 -1.218 -2.295 217 HA ALA 26 HA ALA 26 -2.742 -3.636 -2.463 218 1HB ALA 26 HB1 ALA 26 -0.169 -3.112 -3.134 219 2HB ALA 26 HB3 ALA 26 0.071 -3.848 -1.548 220 3HB ALA 26 HB2 ALA 26 -0.772 -4.738 -2.816 221 H SER 27 HN SER 27 -2.196 -1.534 0.058 222 HA SER 27 HA SER 27 -2.039 -3.669 2.096 223 1HB SER 27 HB2 SER 27 -1.759 -0.706 2.240 224 2HB SER 27 HB1 SER 27 -1.829 -1.712 3.665 225 HG SER 27 HG SER 27 -0.003 -2.818 2.887 226 H VAL 28 HN VAL 28 -3.954 -0.718 1.507 227 HA VAL 28 HA VAL 28 -5.937 -1.112 3.423 228 HB VAL 28 HB VAL 28 -7.415 0.176 1.896 229 1HG1 VAL 28 HG12 VAL 28 -4.529 1.092 2.003 230 2HG1 VAL 28 HG11 VAL 28 -5.911 2.139 1.685 231 3HG1 VAL 28 HG13 VAL 28 -5.745 1.351 3.254 232 1HG2 VAL 28 HG23 VAL 28 -5.290 -0.654 -0.046 233 2HG2 VAL 28 HG22 VAL 28 -7.037 -0.582 -0.271 234 3HG2 VAL 28 HG21 VAL 28 -6.085 0.903 -0.274 235 H ASN 29 HN ASN 29 -8.113 -2.027 3.247 236 HA ASN 29 HA ASN 29 -8.313 -4.692 2.598 237 1HB ASN 29 HB2 ASN 29 -10.128 -2.716 3.357 238 2HB ASN 29 HB1 ASN 29 -10.775 -3.321 1.834 239 1HD2 ASN 29 HD22 ASN 29 -12.144 -6.088 3.513 240 2HD2 ASN 29 HD21 ASN 29 -12.353 -4.841 2.379 241 H ASN 30 HN ASN 30 -9.601 -5.727 0.774 242 HA ASN 30 HA ASN 30 -8.380 -5.571 -1.684 243 1HB ASN 30 HB2 ASN 30 -10.459 -7.010 -0.758 244 2HB ASN 30 HB1 ASN 30 -11.340 -5.887 -1.796 245 1HD2 ASN 30 HD22 ASN 30 -10.517 -7.800 -4.626 246 2HD2 ASN 30 HD21 ASN 30 -11.679 -6.893 -3.783 247 H ASP 31 HN ASP 31 -10.750 -3.334 -0.391 248 HA ASP 31 HA ASP 31 -10.158 -1.501 -2.623 249 1HB ASP 31 HB2 ASP 31 -12.652 -1.087 -2.949 250 2HB ASP 31 HB1 ASP 31 -12.049 -2.621 -3.575 251 H GLU 32 HN GLU 32 -10.121 -1.818 0.524 252 HA GLU 32 HA GLU 32 -11.796 0.045 1.746 253 1HB GLU 32 HB2 GLU 32 -10.358 -0.944 3.268 254 2HB GLU 32 HB1 GLU 32 -8.959 -0.780 2.212 255 1HG GLU 32 HG2 GLU 32 -8.617 1.464 2.812 256 2HG GLU 32 HG1 GLU 32 -10.280 1.667 3.365 257 H THR 33 HN THR 33 -8.576 0.781 0.373 258 HA THR 33 HA THR 33 -9.570 3.547 -0.203 259 HB THR 33 HB THR 33 -6.673 2.751 0.115 260 HG1 THR 33 HG1 THR 33 -8.451 3.793 2.065 261 1HG2 THR 33 HG22 THR 33 -7.551 4.924 -1.030 262 2HG2 THR 33 HG21 THR 33 -7.895 5.443 0.620 263 3HG2 THR 33 HG23 THR 33 -6.244 5.042 0.148 264 H CYS 34 HN CYS 34 -7.731 0.774 -1.354 265 HA CYS 34 HA CYS 34 -6.577 1.419 -3.737 266 1HB CYS 34 HB2 CYS 34 -7.108 -0.904 -2.814 267 2HB CYS 34 HB1 CYS 34 -8.683 -0.753 -3.590 268 H GLU 35 HN GLU 35 -10.066 1.237 -3.188 269 HA GLU 35 HA GLU 35 -10.622 2.183 -5.935 270 1HB GLU 35 HB2 GLU 35 -11.990 0.371 -4.868 271 2HB GLU 35 HB1 GLU 35 -12.573 1.561 -3.703 272 1HG GLU 35 HG2 GLU 35 -14.204 2.020 -5.200 273 2HG GLU 35 HG1 GLU 35 -12.952 2.820 -6.151 274 H GLN 36 HN GLN 36 -11.650 3.200 -2.651 275 HA GLN 36 HA GLN 36 -12.838 5.617 -3.164 276 1HB GLN 36 HB2 GLN 36 -11.584 4.430 -0.926 277 2HB GLN 36 HB1 GLN 36 -10.897 6.048 -1.063 278 1HG GLN 36 HG2 GLN 36 -13.004 5.936 0.320 279 2HG GLN 36 HG1 GLN 36 -13.090 7.054 -1.041 280 1HE2 GLN 36 HE22 GLN 36 -16.196 5.293 -1.552 281 2HE2 GLN 36 HE21 GLN 36 -15.535 6.646 -0.769 282 H ARG 37 HN ARG 37 -9.456 4.871 -3.530 283 HA ARG 37 HA ARG 37 -8.848 7.681 -4.243 284 1HB ARG 37 HB2 ARG 37 -7.291 5.384 -3.205 285 2HB ARG 37 HB1 ARG 37 -6.454 6.401 -4.376 286 1HG ARG 37 HG2 ARG 37 -7.165 8.403 -2.993 287 2HG ARG 37 HG1 ARG 37 -7.730 7.266 -1.768 288 1HD ARG 37 HD2 ARG 37 -5.438 6.276 -1.687 289 2HD ARG 37 HD1 ARG 37 -4.896 7.518 -2.816 290 HE ARG 37 HE ARG 37 -6.040 8.973 -0.764 291 1HH1 ARG 37 HH21 ARG 37 -3.683 6.458 -1.005 292 2HH1 ARG 37 HH22 ARG 37 -2.778 6.998 0.368 293 1HH2 ARG 37 HH12 ARG 37 -4.865 9.686 1.028 294 2HH2 ARG 37 HH11 ARG 37 -3.445 8.823 1.517 295 H ALA 38 HN ALA 38 -8.599 4.339 -5.541 296 HA ALA 38 HA ALA 38 -7.429 5.068 -8.035 297 1HB ALA 38 HB1 ALA 38 -9.263 2.781 -7.288 298 2HB ALA 38 HB3 ALA 38 -8.512 2.933 -8.876 299 3HB ALA 38 HB2 ALA 38 -7.506 2.746 -7.440 300 H ALA 39 HN ALA 39 -10.900 4.399 -7.384 301 HA ALA 39 HA ALA 39 -11.606 5.686 -9.932 302 1HB ALA 39 HB2 ALA 39 -12.736 3.611 -8.844 303 2HB ALA 39 HB1 ALA 39 -13.585 4.792 -7.847 304 3HB ALA 39 HB3 ALA 39 -13.766 4.826 -9.601 305 H ARG 40 HN ARG 40 -12.247 6.296 -6.460 306 HA ARG 40 HA ARG 40 -13.485 8.879 -7.117 307 1HB ARG 40 HB2 ARG 40 -13.012 7.314 -4.600 308 2HB ARG 40 HB1 ARG 40 -13.397 9.032 -4.494 309 1HG ARG 40 HG2 ARG 40 -15.217 8.033 -6.364 310 2HG ARG 40 HG1 ARG 40 -15.147 6.790 -5.115 311 1HD ARG 40 HD2 ARG 40 -15.786 8.311 -3.409 312 2HD ARG 40 HD1 ARG 40 -15.444 9.715 -4.422 313 HE ARG 40 HE ARG 40 -17.435 8.371 -5.803 314 1HH1 ARG 40 HH21 ARG 40 -16.988 9.564 -2.592 315 2HH1 ARG 40 HH22 ARG 40 -18.672 9.871 -2.335 316 1HH2 ARG 40 HH12 ARG 40 -19.630 8.769 -5.479 317 2HH2 ARG 40 HH11 ARG 40 -20.167 9.422 -3.968 318 H ILE 41 HN ILE 41 -12.178 10.565 -7.615 319 HA ILE 41 HA ILE 41 -9.882 11.131 -5.825 320 HB ILE 41 HB ILE 41 -9.708 10.777 -8.823 321 1HG1 ILE 41 HG12 ILE 41 -7.650 9.895 -6.853 322 2HG1 ILE 41 HG11 ILE 41 -9.187 9.030 -6.868 323 1HG2 ILE 41 HG22 ILE 41 -8.038 12.444 -6.963 324 2HG2 ILE 41 HG21 ILE 41 -7.309 11.696 -8.383 325 3HG2 ILE 41 HG23 ILE 41 -8.630 12.849 -8.572 326 1HD1 ILE 41 HD13 ILE 41 -7.513 9.530 -9.342 327 2HD1 ILE 41 HD12 ILE 41 -7.461 8.036 -8.406 328 3HD1 ILE 41 HD11 ILE 41 -8.949 8.514 -9.223 329 H SER 42 HN SER 42 -10.812 13.012 -5.028 330 HA SER 42 HA SER 42 -12.282 14.882 -6.652 331 1HB SER 42 HB2 SER 42 -11.643 14.575 -3.901 332 2HB SER 42 HB1 SER 42 -11.081 16.175 -4.379 333 HG SER 42 HG SER 42 -13.355 15.970 -3.708 334 H LEU 43 HN LEU 43 -8.992 15.088 -5.241 335 HA LEU 43 HA LEU 43 -8.332 17.037 -7.414 336 1HB LEU 43 HB2 LEU 43 -6.728 18.045 -5.926 337 2HB LEU 43 HB1 LEU 43 -8.237 17.887 -5.025 338 HG LEU 43 HG LEU 43 -7.101 15.490 -4.463 339 1HD1 LEU 43 HD13 LEU 43 -5.056 16.208 -5.771 340 2HD1 LEU 43 HD12 LEU 43 -4.793 17.449 -4.546 341 3HD1 LEU 43 HD11 LEU 43 -4.732 15.743 -4.101 342 1HD2 LEU 43 HD22 LEU 43 -8.006 17.142 -2.849 343 2HD2 LEU 43 HD21 LEU 43 -6.457 16.494 -2.307 344 3HD2 LEU 43 HD23 LEU 43 -6.537 18.104 -3.024 345 H GLY 44 HN GLY 44 -7.609 13.991 -5.983 346 1HA GLY 44 HA2 GLY 44 -6.144 12.297 -6.689 347 2HA GLY 44 HA1 GLY 44 -5.799 13.273 -8.116 348 HA PRO 45 HA PRO 45 -2.943 14.897 -4.357 349 1HB PRO 45 HB2 PRO 45 -2.601 12.449 -2.875 350 2HB PRO 45 HB1 PRO 45 -3.190 14.010 -2.295 351 1HG PRO 45 HG2 PRO 45 -4.691 11.617 -2.764 352 2HG PRO 45 HG1 PRO 45 -5.271 13.172 -2.161 353 1HD PRO 45 HD2 PRO 45 -5.843 12.004 -4.669 354 2HD PRO 45 HD1 PRO 45 -6.245 13.643 -4.140 355 H ARG 46 HN ARG 46 -2.489 11.365 -4.490 356 HA ARG 46 HA ARG 46 -0.739 11.302 -6.728 357 1HB ARG 46 HB2 ARG 46 0.611 12.755 -5.105 358 2HB ARG 46 HB1 ARG 46 0.793 11.303 -4.120 359 1HG ARG 46 HG2 ARG 46 2.718 11.331 -5.511 360 2HG ARG 46 HG1 ARG 46 1.636 10.158 -6.261 361 1HD ARG 46 HD2 ARG 46 1.517 11.382 -8.147 362 2HD ARG 46 HD1 ARG 46 1.063 12.823 -7.236 363 HE ARG 46 HE ARG 46 3.788 12.608 -6.805 364 1HH1 ARG 46 HH21 ARG 46 1.695 12.662 -9.553 365 2HH1 ARG 46 HH22 ARG 46 2.864 13.409 -10.589 366 1HH2 ARG 46 HH12 ARG 46 5.319 13.581 -8.148 367 2HH2 ARG 46 HH11 ARG 46 4.913 13.928 -9.795 368 H CYS 47 HN CYS 47 -1.485 9.978 -3.514 369 HA CYS 47 HA CYS 47 -0.405 7.391 -4.000 370 1HB CYS 47 HB2 CYS 47 -2.851 7.904 -2.286 371 2HB CYS 47 HB1 CYS 47 -1.722 6.582 -2.132 372 H ILE 48 HN ILE 48 -3.425 8.882 -4.973 373 HA ILE 48 HA ILE 48 -4.678 6.421 -5.658 374 HB ILE 48 HB ILE 48 -6.340 7.697 -6.691 375 1HG1 ILE 48 HG12 ILE 48 -4.706 8.743 -8.373 376 2HG1 ILE 48 HG11 ILE 48 -6.066 9.740 -7.878 377 1HG2 ILE 48 HG22 ILE 48 -5.814 8.384 -4.297 378 2HG2 ILE 48 HG21 ILE 48 -5.057 9.820 -4.975 379 3HG2 ILE 48 HG23 ILE 48 -6.774 9.523 -5.237 380 1HD1 ILE 48 HD12 ILE 48 -3.374 9.893 -6.512 381 2HD1 ILE 48 HD11 ILE 48 -3.807 10.908 -7.886 382 3HD1 ILE 48 HD13 ILE 48 -4.721 11.022 -6.382 383 H LYS 49 HN LYS 49 -2.752 8.666 -7.731 384 HA LYS 49 HA LYS 49 -2.910 6.952 -10.027 385 1HB LYS 49 HB2 LYS 49 -1.353 9.321 -9.208 386 2HB LYS 49 HB1 LYS 49 -0.525 8.261 -10.350 387 1HG LYS 49 HG2 LYS 49 -2.439 8.357 -11.874 388 2HG LYS 49 HG1 LYS 49 -3.332 9.347 -10.720 389 1HD LYS 49 HD2 LYS 49 -2.172 11.237 -11.246 390 2HD LYS 49 HD1 LYS 49 -0.649 10.368 -11.433 391 1HE LYS 49 HE2 LYS 49 -2.922 10.260 -13.435 392 2HE LYS 49 HE1 LYS 49 -1.520 11.319 -13.587 393 1HZ LYS 49 HZ2 LYS 49 -0.844 8.576 -13.050 394 2HZ LYS 49 HZ1 LYS 49 -1.673 8.785 -14.518 395 3HZ LYS 49 HZ3 LYS 49 -0.233 9.634 -14.230 396 H ALA 50 HN ALA 50 -0.082 7.518 -7.896 397 HA ALA 50 HA ALA 50 1.524 5.383 -8.774 398 1HB ALA 50 HB2 ALA 50 2.149 7.083 -6.997 399 2HB ALA 50 HB1 ALA 50 1.171 6.146 -5.865 400 3HB ALA 50 HB3 ALA 50 2.590 5.418 -6.616 401 H PHE 51 HN PHE 51 -0.550 5.375 -5.951 402 HA PHE 51 HA PHE 51 -0.309 2.587 -5.636 403 1HB PHE 51 HB2 PHE 51 -1.126 3.044 -3.654 404 2HB PHE 51 HB1 PHE 51 -1.179 4.715 -4.093 405 HD1 PHE 51 HD1 PHE 51 -3.545 4.502 -6.053 406 HD2 PHE 51 HD2 PHE 51 -2.905 2.955 -2.130 407 HE1 PHE 51 HE1 PHE 51 -5.984 4.410 -5.693 408 HE2 PHE 51 HE2 PHE 51 -5.341 2.880 -1.761 409 HZ PHE 51 HZ PHE 51 -6.889 3.603 -3.547 410 H THR 52 HN THR 52 -2.243 4.283 -7.882 411 HA THR 52 HA THR 52 -4.478 2.382 -7.854 412 HB THR 52 HB THR 52 -3.693 4.686 -9.623 413 HG1 THR 52 HG1 THR 52 -6.049 3.829 -8.299 414 1HG2 THR 52 HG23 THR 52 -5.562 2.431 -10.383 415 2HG2 THR 52 HG22 THR 52 -5.667 4.038 -11.103 416 3HG2 THR 52 HG21 THR 52 -4.207 3.071 -11.313 417 H GLU 53 HN GLU 53 -1.541 2.960 -9.772 418 HA GLU 53 HA GLU 53 -2.066 0.570 -11.407 419 1HB GLU 53 HB2 GLU 53 0.620 1.927 -11.121 420 2HB GLU 53 HB1 GLU 53 -0.026 1.050 -12.508 421 1HG GLU 53 HG2 GLU 53 -1.453 3.506 -11.540 422 2HG GLU 53 HG1 GLU 53 -0.004 3.683 -12.527 423 H CYS 54 HN CYS 54 -0.357 1.413 -8.488 424 HA CYS 54 HA CYS 54 1.125 -1.082 -8.269 425 1HB CYS 54 HB2 CYS 54 2.094 0.689 -7.104 426 2HB CYS 54 HB1 CYS 54 0.550 1.276 -6.478 427 H CYS 55 HN CYS 55 -1.971 0.124 -7.097 428 HA CYS 55 HA CYS 55 -2.451 -2.210 -5.417 429 1HB CYS 55 HB2 CYS 55 -3.489 0.039 -4.947 430 2HB CYS 55 HB1 CYS 55 -4.484 -0.156 -6.383 431 H VAL 56 HN VAL 56 -3.662 -1.015 -8.547 432 HA VAL 56 HA VAL 56 -5.354 -3.205 -9.142 433 HB VAL 56 HB VAL 56 -5.083 -2.565 -11.502 434 1HG1 VAL 56 HG11 VAL 56 -5.571 -0.619 -9.336 435 2HG1 VAL 56 HG13 VAL 56 -5.216 0.106 -10.904 436 3HG1 VAL 56 HG12 VAL 56 -6.565 -1.017 -10.737 437 1HG2 VAL 56 HG23 VAL 56 -2.744 -0.989 -10.402 438 2HG2 VAL 56 HG22 VAL 56 -2.721 -2.212 -11.674 439 3HG2 VAL 56 HG21 VAL 56 -3.469 -0.643 -11.972 440 H VAL 57 HN VAL 57 -1.875 -2.712 -9.935 441 HA VAL 57 HA VAL 57 -1.506 -5.257 -11.156 442 HB VAL 57 HB VAL 57 0.274 -3.664 -11.353 443 1HG1 VAL 57 HG13 VAL 57 -0.405 -2.876 -8.832 444 2HG1 VAL 57 HG12 VAL 57 1.108 -3.724 -8.523 445 3HG1 VAL 57 HG11 VAL 57 1.067 -2.374 -9.657 446 1HG2 VAL 57 HG22 VAL 57 0.877 -6.121 -11.057 447 2HG2 VAL 57 HG21 VAL 57 2.176 -4.982 -10.711 448 3HG2 VAL 57 HG23 VAL 57 1.287 -5.733 -9.386 449 H ALA 58 HN ALA 58 -0.792 -4.330 -7.744 450 HA ALA 58 HA ALA 58 -0.065 -6.737 -6.650 451 1HB ALA 58 HB3 ALA 58 -0.859 -4.368 -5.587 452 2HB ALA 58 HB2 ALA 58 -2.221 -5.391 -5.127 453 3HB ALA 58 HB1 ALA 58 -0.586 -5.820 -4.624 454 H SER 59 HN SER 59 -3.426 -5.746 -7.251 455 HA SER 59 HA SER 59 -4.668 -8.155 -6.361 456 1HB SER 59 HB2 SER 59 -5.883 -6.880 -8.722 457 2HB SER 59 HB1 SER 59 -6.579 -7.197 -7.137 458 HG SER 59 HG SER 59 -6.002 -5.265 -6.502 459 H GLN 60 HN GLN 60 -4.075 -7.112 -9.698 460 HA GLN 60 HA GLN 60 -4.719 -9.323 -11.129 461 1HB GLN 60 HB2 GLN 60 -2.718 -7.207 -11.448 462 2HB GLN 60 HB1 GLN 60 -2.300 -8.690 -12.305 463 1HG GLN 60 HG2 GLN 60 -4.607 -8.701 -13.291 464 2HG GLN 60 HG1 GLN 60 -4.884 -7.126 -12.547 465 1HE2 GLN 60 HE22 GLN 60 -3.714 -6.154 -15.847 466 2HE2 GLN 60 HE21 GLN 60 -5.131 -6.647 -15.053 467 H LEU 61 HN LEU 61 -1.401 -8.939 -9.779 468 HA LEU 61 HA LEU 61 -0.853 -11.743 -10.333 469 1HB LEU 61 HB2 LEU 61 1.025 -11.002 -8.396 470 2HB LEU 61 HB1 LEU 61 1.273 -11.123 -10.125 471 HG LEU 61 HG LEU 61 2.034 -8.990 -9.300 472 1HD1 LEU 61 HD12 LEU 61 -0.030 -9.291 -11.304 473 2HD1 LEU 61 HD11 LEU 61 -0.063 -7.674 -10.602 474 3HD1 LEU 61 HD13 LEU 61 1.418 -8.285 -11.337 475 1HD2 LEU 61 HD21 LEU 61 -0.767 -8.679 -8.247 476 2HD2 LEU 61 HD23 LEU 61 0.731 -8.683 -7.328 477 3HD2 LEU 61 HD22 LEU 61 0.359 -7.338 -8.404 478 H ARG 62 HN ARG 62 -0.749 -10.131 -7.135 479 HA ARG 62 HA ARG 62 -0.695 -12.180 -5.427 480 1HB ARG 62 HB2 ARG 62 -2.619 -9.864 -5.367 481 2HB ARG 62 HB1 ARG 62 -2.609 -11.057 -4.071 482 1HG ARG 62 HG2 ARG 62 0.052 -10.579 -4.296 483 2HG ARG 62 HG1 ARG 62 -0.582 -9.002 -4.752 484 1HD ARG 62 HD2 ARG 62 -0.719 -10.421 -2.144 485 2HD ARG 62 HD1 ARG 62 -0.540 -8.701 -2.467 486 HE ARG 62 HE ARG 62 -2.977 -10.021 -1.831 487 1HH1 ARG 62 HH21 ARG 62 -1.730 -7.783 -4.151 488 2HH1 ARG 62 HH22 ARG 62 -3.293 -7.229 -4.636 489 1HH2 ARG 62 HH12 ARG 62 -5.005 -9.282 -2.439 490 2HH2 ARG 62 HH11 ARG 62 -5.142 -8.064 -3.663 491 H ALA 63 HN ALA 63 -3.634 -11.540 -7.343 492 HA ALA 63 HA ALA 63 -5.260 -13.570 -6.192 493 1HB ALA 63 HB2 ALA 63 -5.148 -12.611 -9.073 494 2HB ALA 63 HB1 ALA 63 -6.454 -13.571 -8.377 495 3HB ALA 63 HB3 ALA 63 -6.159 -11.932 -7.796 496 H ASN 64 HN ASN 64 -3.357 -13.758 -9.211 497 HA ASN 64 HA ASN 64 -2.659 -16.569 -8.515 498 1HB ASN 64 HB2 ASN 64 -4.634 -16.230 -10.259 499 2HB ASN 64 HB1 ASN 64 -3.302 -15.895 -11.367 500 1HD2 ASN 64 HD22 ASN 64 -3.451 -19.465 -11.783 501 2HD2 ASN 64 HD21 ASN 64 -4.028 -18.006 -12.428 502 H ILE 65 HN ILE 65 -0.887 -14.682 -8.017 503 HA ILE 65 HA ILE 65 0.686 -13.466 -9.926 504 HB ILE 65 HB ILE 65 2.335 -14.973 -7.986 505 1HG1 ILE 65 HG12 ILE 65 0.077 -13.155 -7.113 506 2HG1 ILE 65 HG11 ILE 65 0.365 -14.817 -6.596 507 1HG2 ILE 65 HG21 ILE 65 2.299 -12.478 -9.371 508 2HG2 ILE 65 HG23 ILE 65 2.301 -12.129 -7.643 509 3HG2 ILE 65 HG22 ILE 65 3.575 -13.128 -8.342 510 1HD1 ILE 65 HD12 ILE 65 2.574 -14.045 -5.641 511 2HD1 ILE 65 HD11 ILE 65 2.068 -12.389 -5.978 512 3HD1 ILE 65 HD13 ILE 65 1.157 -13.373 -4.833 513 H SER 66 HN SER 66 1.116 -14.349 -11.875 514 HA SER 66 HA SER 66 3.100 -16.382 -12.174 515 1HB SER 66 HB2 SER 66 0.642 -17.493 -11.576 516 2HB SER 66 HB1 SER 66 0.651 -17.521 -13.338 517 HG SER 66 HG SER 66 2.893 -18.357 -11.841 518 H HIS 67 HN HIS 67 0.361 -14.637 -13.549 519 HA HIS 67 HA HIS 67 1.412 -14.888 -16.286 520 1HB HIS 67 HB2 HIS 67 -1.100 -14.679 -15.461 521 2HB HIS 67 HB1 HIS 67 -0.749 -12.952 -15.536 522 HD1 HIS 67 HD1 HIS 67 -2.165 -12.498 -17.637 523 HD2 HIS 67 HD2 HIS 67 0.747 -15.423 -18.219 524 HE1 HIS 67 HE1 HIS 67 -2.068 -12.925 -20.131 525 H LYS 68 HN LYS 68 1.160 -12.449 -17.406 526 HA LYS 68 HA LYS 68 3.513 -11.064 -16.681 527 1HB LYS 68 HB2 LYS 68 2.067 -10.873 -18.830 528 2HB LYS 68 HB1 LYS 68 1.152 -9.664 -17.930 529 1HG LYS 68 HG2 LYS 68 3.258 -8.415 -17.505 530 2HG LYS 68 HG1 LYS 68 4.134 -9.599 -18.475 531 1HD LYS 68 HD2 LYS 68 2.875 -9.010 -20.453 532 2HD LYS 68 HD1 LYS 68 1.802 -7.970 -19.517 533 1HE LYS 68 HE2 LYS 68 3.467 -6.346 -19.173 534 2HE LYS 68 HE1 LYS 68 4.773 -7.476 -19.531 535 1HZ LYS 68 HZ3 LYS 68 2.842 -7.009 -21.657 536 2HZ LYS 68 HZ2 LYS 68 3.873 -5.712 -21.283 537 3HZ LYS 68 HZ1 LYS 68 4.523 -7.212 -21.743 538 H ASP 69 HN ASP 69 3.777 -8.996 -15.594 539 HA ASP 69 HA ASP 69 1.668 -8.523 -13.526 540 1HB ASP 69 HB2 ASP 69 4.602 -7.772 -13.379 541 2HB ASP 69 HB1 ASP 69 3.422 -7.708 -12.071 542 H MET 70 HN MET 70 2.434 -6.028 -12.646 543 HA MET 70 HA MET 70 2.601 -4.265 -15.021 544 1HB MET 70 HB2 MET 70 0.116 -4.919 -14.002 545 2HB MET 70 HB1 MET 70 0.493 -3.421 -13.155 546 1HG MET 70 HG2 MET 70 -0.167 -2.331 -15.014 547 2HG MET 70 HG1 MET 70 1.305 -2.931 -15.777 548 1HE MET 70 HE2 MET 70 -1.481 -2.085 -17.023 549 2HE MET 70 HE1 MET 70 -0.172 -2.582 -18.091 550 3HE MET 70 HE3 MET 70 -1.783 -3.290 -18.272 551 H CYS 71 HN CYS 71 1.668 -1.993 -13.343 552 HA CYS 71 HA CYS 71 4.039 -0.936 -12.416 553 1HB CYS 71 HB2 CYS 71 1.182 -0.542 -11.658 554 2HB CYS 71 HB1 CYS 71 2.396 0.166 -10.590 555 1H CYS 72 HN2 CYS 72 3.297 4.634 -11.900 556 2H CYS 72 HN1 CYS 72 1.836 3.766 -11.855 557 3H CYS 72 HN3 CYS 72 1.929 5.305 -11.148 558 HA CYS 72 HA CYS 72 1.991 3.682 -9.408 559 1HB CYS 72 HB2 CYS 72 4.374 2.372 -9.637 560 2HB CYS 72 HB1 CYS 72 2.800 1.680 -9.972 561 H LEU 73 HN LEU 73 5.359 3.883 -10.399 562 HA LEU 73 HA LEU 73 6.422 4.930 -8.103 563 1HB LEU 73 HB2 LEU 73 8.289 5.723 -9.393 564 2HB LEU 73 HB1 LEU 73 7.674 4.291 -10.219 565 HG LEU 73 HG LEU 73 6.180 6.416 -11.271 566 1HD1 LEU 73 HD13 LEU 73 7.908 7.922 -10.233 567 2HD1 LEU 73 HD12 LEU 73 9.129 7.124 -11.226 568 3HD1 LEU 73 HD11 LEU 73 7.832 8.042 -11.990 569 1HD2 LEU 73 HD21 LEU 73 7.715 4.271 -12.150 570 2HD2 LEU 73 HD23 LEU 73 6.830 5.391 -13.184 571 3HD2 LEU 73 HD22 LEU 73 8.537 5.669 -12.841 572 H GLY 74 HN GLY 74 7.199 7.214 -7.642 573 1HA GLY 74 HA2 GLY 74 5.273 9.259 -8.660 574 2HA GLY 74 HA1 GLY 74 5.575 9.104 -6.930 575 1HN DAR 75 HN ARG 75 6.675 10.519 -9.843 576 HA DAR 75 HA ARG 75 9.434 10.928 -9.260 577 1HB DAR 75 HB1 ARG 75 7.657 12.411 -7.573 578 2HB DAR 75 HB2 ARG 75 8.462 13.544 -8.660 579 1HG DAR 75 HG1 ARG 75 10.534 13.132 -7.765 580 2HG DAR 75 HG2 ARG 75 10.172 11.435 -7.446 581 1HD DAR 75 HD1 ARG 75 9.914 12.023 -5.281 582 2HD DAR 75 HD2 ARG 75 8.423 12.816 -5.784 583 HNE DAR 75 HE ARG 75 9.452 14.816 -5.208 584 1HH1 DAR 75 HH11 ARG 75 11.056 16.374 -5.363 585 2HH1 DAR 75 HH12 ARG 75 12.627 15.934 -5.940 586 1HH2 DAR 75 HH21 ARG 75 11.833 12.597 -6.398 587 2HH2 DAR 75 HH22 ARG 75 13.060 13.807 -6.533 No H/Q in entry = 587 Start of MODEL 17 1 1H MET 1 HN1 MET 1 8.741 -8.702 2.489 2 2H MET 1 HN3 MET 1 9.520 -8.522 3.984 3 3H MET 1 HN2 MET 1 8.363 -7.380 3.489 4 HA MET 1 HA MET 1 9.749 -6.500 1.836 5 1HB MET 1 HB2 MET 1 10.396 -5.670 3.994 6 2HB MET 1 HB1 MET 1 11.276 -7.152 4.369 7 1HG MET 1 HG2 MET 1 13.120 -6.458 3.261 8 2HG MET 1 HG1 MET 1 12.177 -5.906 1.878 9 1HE MET 1 HE1 MET 1 12.303 -3.989 1.115 10 2HE MET 1 HE3 MET 1 12.569 -2.412 1.869 11 3HE MET 1 HE2 MET 1 13.908 -3.543 1.687 12 H LEU 2 HN LEU 2 11.893 -8.899 3.403 13 HA LEU 2 HA LEU 2 13.126 -9.429 0.771 14 1HB LEU 2 HB2 LEU 2 14.323 -9.160 3.112 15 2HB LEU 2 HB1 LEU 2 13.906 -10.866 3.288 16 HG LEU 2 HG LEU 2 14.896 -10.888 0.765 17 1HD1 LEU 2 HD13 LEU 2 15.433 -8.412 1.044 18 2HD1 LEU 2 HD12 LEU 2 16.636 -8.897 2.238 19 3HD1 LEU 2 HD11 LEU 2 16.789 -9.432 0.566 20 1HD2 LEU 2 HD22 LEU 2 15.754 -11.652 3.398 21 2HD2 LEU 2 HD21 LEU 2 16.166 -12.398 1.853 22 3HD2 LEU 2 HD23 LEU 2 17.156 -11.085 2.490 23 H GLN 3 HN GLN 3 10.381 -10.456 2.039 24 HA GLN 3 HA GLN 3 10.769 -13.250 1.049 25 1HB GLN 3 HB2 GLN 3 8.809 -13.728 2.732 26 2HB GLN 3 HB1 GLN 3 10.464 -13.630 3.335 27 1HG GLN 3 HG2 GLN 3 10.137 -11.323 4.019 28 2HG GLN 3 HG1 GLN 3 8.533 -11.294 3.282 29 1HE2 GLN 3 HE22 GLN 3 7.116 -13.445 5.857 30 2HE2 GLN 3 HE21 GLN 3 7.053 -13.211 4.177 31 H LYS 4 HN LYS 4 8.635 -10.459 1.353 32 HA LYS 4 HA LYS 4 6.492 -11.725 -0.188 33 1HB LYS 4 HB2 LYS 4 6.960 -8.929 0.857 34 2HB LYS 4 HB1 LYS 4 5.592 -9.316 -0.187 35 1HG LYS 4 HG2 LYS 4 4.710 -10.884 1.391 36 2HG LYS 4 HG1 LYS 4 6.191 -10.853 2.349 37 1HD LYS 4 HD2 LYS 4 5.253 -8.166 2.103 38 2HD LYS 4 HD1 LYS 4 3.893 -9.173 2.605 39 1HE LYS 4 HE2 LYS 4 5.017 -9.930 4.543 40 2HE LYS 4 HE1 LYS 4 6.589 -9.410 3.937 41 1HZ LYS 4 HZ1 LYS 4 4.645 -7.293 4.136 42 2HZ LYS 4 HZ3 LYS 4 5.042 -7.995 5.628 43 3HZ LYS 4 HZ2 LYS 4 6.265 -7.335 4.649 44 H LYS 5 HN LYS 5 5.686 -10.024 -2.074 45 HA LYS 5 HA LYS 5 8.068 -9.691 -3.855 46 1HB LYS 5 HB2 LYS 5 5.241 -10.569 -4.488 47 2HB LYS 5 HB1 LYS 5 6.382 -10.056 -5.733 48 1HG LYS 5 HG2 LYS 5 7.197 -12.155 -5.751 49 2HG LYS 5 HG1 LYS 5 7.805 -11.870 -4.119 50 1HD LYS 5 HD2 LYS 5 5.312 -12.428 -3.434 51 2HD LYS 5 HD1 LYS 5 5.295 -13.258 -4.990 52 1HE LYS 5 HE2 LYS 5 7.600 -13.720 -3.130 53 2HE LYS 5 HE1 LYS 5 6.071 -14.540 -2.814 54 1HZ LYS 5 HZ2 LYS 5 6.456 -14.848 -5.495 55 2HZ LYS 5 HZ1 LYS 5 8.015 -15.046 -4.847 56 3HZ LYS 5 HZ3 LYS 5 6.742 -16.025 -4.304 57 H ILE 6 HN ILE 6 4.666 -8.622 -4.127 58 HA ILE 6 HA ILE 6 5.329 -6.099 -5.241 59 HB ILE 6 HB ILE 6 2.894 -7.251 -3.925 60 1HG1 ILE 6 HG12 ILE 6 3.600 -7.508 -6.387 61 2HG1 ILE 6 HG11 ILE 6 1.948 -6.971 -6.090 62 1HG2 ILE 6 HG23 ILE 6 3.422 -4.321 -4.395 63 2HG2 ILE 6 HG22 ILE 6 1.788 -4.968 -4.544 64 3HG2 ILE 6 HG21 ILE 6 2.650 -5.096 -3.011 65 1HD1 ILE 6 HD13 ILE 6 4.104 -4.905 -6.390 66 2HD1 ILE 6 HD12 ILE 6 3.470 -5.690 -7.837 67 3HD1 ILE 6 HD11 ILE 6 2.387 -4.790 -6.776 68 H GLU 7 HN GLU 7 5.638 -7.224 -2.020 69 HA GLU 7 HA GLU 7 5.191 -4.953 -0.441 70 1HB GLU 7 HB2 GLU 7 6.247 -7.401 0.040 71 2HB GLU 7 HB1 GLU 7 7.715 -6.425 0.098 72 1HG GLU 7 HG2 GLU 7 6.616 -6.631 2.329 73 2HG GLU 7 HG1 GLU 7 6.723 -4.958 1.778 74 H GLU 8 HN GLU 8 8.471 -5.828 -1.601 75 HA GLU 8 HA GLU 8 9.427 -3.128 -1.255 76 1HB GLU 8 HB2 GLU 8 11.344 -3.996 -2.760 77 2HB GLU 8 HB1 GLU 8 11.098 -4.831 -1.226 78 1HG GLU 8 HG2 GLU 8 10.040 -6.673 -2.262 79 2HG GLU 8 HG1 GLU 8 9.744 -5.774 -3.751 80 H ILE 9 HN ILE 9 7.839 -4.825 -3.896 81 HA ILE 9 HA ILE 9 8.522 -3.112 -6.048 82 HB ILE 9 HB ILE 9 5.820 -4.336 -5.382 83 1HG1 ILE 9 HG12 ILE 9 8.152 -5.241 -7.099 84 2HG1 ILE 9 HG11 ILE 9 7.515 -6.044 -5.664 85 1HG2 ILE 9 HG23 ILE 9 5.904 -2.352 -7.029 86 2HG2 ILE 9 HG22 ILE 9 6.785 -3.441 -8.099 87 3HG2 ILE 9 HG21 ILE 9 5.141 -3.836 -7.598 88 1HD1 ILE 9 HD12 ILE 9 5.436 -5.593 -7.659 89 2HD1 ILE 9 HD11 ILE 9 6.765 -6.557 -8.302 90 3HD1 ILE 9 HD13 ILE 9 5.909 -7.090 -6.856 91 H ALA 10 HN ALA 10 6.493 -2.726 -3.254 92 HA ALA 10 HA ALA 10 5.524 -0.063 -4.056 93 1HB ALA 10 HB1 ALA 10 4.170 -1.708 -2.641 94 2HB ALA 10 HB3 ALA 10 5.317 -1.398 -1.338 95 3HB ALA 10 HB2 ALA 10 4.320 -0.086 -1.965 96 H ALA 11 HN ALA 11 7.950 -1.609 -2.052 97 HA ALA 11 HA ALA 11 8.819 0.620 -0.543 98 1HB ALA 11 HB1 ALA 11 9.595 -1.670 -0.100 99 2HB ALA 11 HB3 ALA 11 10.500 -1.646 -1.614 100 3HB ALA 11 HB2 ALA 11 10.951 -0.559 -0.301 101 H LYS 12 HN LYS 12 9.155 -0.081 -3.911 102 HA LYS 12 HA LYS 12 11.437 1.761 -4.251 103 1HB LYS 12 HB2 LYS 12 11.658 0.895 -6.399 104 2HB LYS 12 HB1 LYS 12 10.947 -0.478 -5.554 105 1HG LYS 12 HG2 LYS 12 8.679 0.345 -6.308 106 2HG LYS 12 HG1 LYS 12 9.514 1.525 -7.316 107 1HD LYS 12 HD2 LYS 12 10.823 -0.502 -8.256 108 2HD LYS 12 HD1 LYS 12 9.548 -1.483 -7.533 109 1HE LYS 12 HE2 LYS 12 8.643 -1.132 -9.637 110 2HE LYS 12 HE1 LYS 12 7.968 0.250 -8.775 111 1HZ LYS 12 HZ3 LYS 12 10.556 0.857 -9.745 112 2HZ LYS 12 HZ2 LYS 12 9.577 0.302 -11.018 113 3HZ LYS 12 HZ1 LYS 12 9.082 1.629 -10.079 114 H TYR 13 HN TYR 13 8.028 1.946 -4.256 115 HA TYR 13 HA TYR 13 7.673 4.028 -6.207 116 1HB TYR 13 HB2 TYR 13 6.043 3.134 -3.807 117 2HB TYR 13 HB1 TYR 13 5.549 4.494 -4.798 118 HD1 TYR 13 HD1 TYR 13 7.172 1.301 -5.746 119 HD2 TYR 13 HD2 TYR 13 3.639 3.744 -6.099 120 HE1 TYR 13 HE1 TYR 13 6.250 -0.281 -7.397 121 HE2 TYR 13 HE2 TYR 13 2.751 2.173 -7.755 122 HH TYR 13 HH TYR 13 2.979 -0.143 -8.411 123 H LYS 14 HN LYS 14 9.219 5.600 -5.945 124 HA LYS 14 HA LYS 14 10.691 6.921 -4.430 125 1HB LYS 14 HB2 LYS 14 8.617 8.022 -6.030 126 2HB LYS 14 HB1 LYS 14 8.744 9.004 -4.568 127 1HG LYS 14 HG2 LYS 14 10.546 9.994 -5.491 128 2HG LYS 14 HG1 LYS 14 11.396 8.459 -5.305 129 1HD LYS 14 HD2 LYS 14 9.754 8.183 -7.593 130 2HD LYS 14 HD1 LYS 14 10.540 9.756 -7.731 131 1HE LYS 14 HE2 LYS 14 12.605 8.171 -6.849 132 2HE LYS 14 HE1 LYS 14 11.707 7.056 -7.879 133 1HZ LYS 14 HZ1 LYS 14 11.700 9.244 -9.389 134 2HZ LYS 14 HZ3 LYS 14 13.177 9.459 -8.583 135 3HZ LYS 14 HZ2 LYS 14 12.900 8.047 -9.487 136 H HIS 15 HN HIS 15 10.945 6.589 -2.282 137 HA HIS 15 HA HIS 15 9.063 6.288 -0.278 138 1HB HIS 15 HB2 HIS 15 10.777 7.145 1.298 139 2HB HIS 15 HB1 HIS 15 11.470 6.033 0.120 140 HD1 HIS 15 HD1 HIS 15 13.064 8.367 1.594 141 HD2 HIS 15 HD2 HIS 15 11.557 8.518 -2.290 142 HE1 HIS 15 HE1 HIS 15 14.428 10.106 0.363 143 H SER 16 HN SER 16 9.875 9.246 -1.943 144 HA SER 16 HA SER 16 9.173 11.272 -0.206 145 1HB SER 16 HB2 SER 16 8.931 10.859 -3.101 146 2HB SER 16 HB1 SER 16 7.749 11.998 -2.461 147 HG SER 16 HG SER 16 9.535 13.198 -2.832 148 H VAL 17 HN VAL 17 6.649 10.128 -2.420 149 HA VAL 17 HA VAL 17 4.795 9.870 -0.098 150 HB VAL 17 HB VAL 17 4.392 11.516 -2.607 151 1HG1 VAL 17 HG12 VAL 17 2.387 10.205 -0.796 152 2HG1 VAL 17 HG11 VAL 17 2.016 11.775 -1.509 153 3HG1 VAL 17 HG13 VAL 17 2.349 10.390 -2.549 154 1HG2 VAL 17 HG23 VAL 17 4.174 12.050 0.370 155 2HG2 VAL 17 HG22 VAL 17 5.346 12.739 -0.753 156 3HG2 VAL 17 HG21 VAL 17 3.645 13.191 -0.868 157 H VAL 18 HN VAL 18 5.205 9.421 -3.599 158 HA VAL 18 HA VAL 18 3.256 7.580 -4.229 159 HB VAL 18 HB VAL 18 4.944 8.391 -5.821 160 1HG1 VAL 18 HG11 VAL 18 6.703 6.879 -3.951 161 2HG1 VAL 18 HG13 VAL 18 7.159 6.921 -5.652 162 3HG1 VAL 18 HG12 VAL 18 6.985 8.424 -4.744 163 1HG2 VAL 18 HG22 VAL 18 4.150 5.599 -5.513 164 2HG2 VAL 18 HG21 VAL 18 4.222 6.582 -6.976 165 3HG2 VAL 18 HG23 VAL 18 5.667 5.754 -6.398 166 H LYS 19 HN LYS 19 5.956 7.056 -2.057 167 HA LYS 19 HA LYS 19 5.907 4.173 -2.162 168 1HB LYS 19 HB2 LYS 19 7.881 4.953 -1.211 169 2HB LYS 19 HB1 LYS 19 7.069 6.241 -0.333 170 1HG LYS 19 HG2 LYS 19 6.781 4.929 1.497 171 2HG LYS 19 HG1 LYS 19 6.208 3.571 0.529 172 1HD LYS 19 HD2 LYS 19 8.230 2.575 0.539 173 2HD LYS 19 HD1 LYS 19 9.061 4.080 0.150 174 1HE LYS 19 HE2 LYS 19 9.292 4.689 2.391 175 2HE LYS 19 HE1 LYS 19 7.931 3.689 2.904 176 1HZ LYS 19 HZ2 LYS 19 9.618 1.871 1.869 177 2HZ LYS 19 HZ1 LYS 19 10.706 2.983 2.552 178 3HZ LYS 19 HZ3 LYS 19 9.517 2.260 3.520 179 H LYS 20 HN LYS 20 5.158 5.917 0.837 180 HA LYS 20 HA LYS 20 3.473 4.068 1.993 181 1HB LYS 20 HB2 LYS 20 4.141 6.196 3.078 182 2HB LYS 20 HB1 LYS 20 3.025 7.070 2.029 183 1HG LYS 20 HG2 LYS 20 1.127 6.098 3.035 184 2HG LYS 20 HG1 LYS 20 2.066 4.784 3.744 185 1HD LYS 20 HD2 LYS 20 2.199 6.002 5.634 186 2HD LYS 20 HD1 LYS 20 3.220 7.139 4.754 187 1HE LYS 20 HE2 LYS 20 1.386 8.531 4.197 188 2HE LYS 20 HE1 LYS 20 0.210 7.279 4.594 189 1HZ LYS 20 HZ2 LYS 20 1.490 7.529 6.916 190 2HZ LYS 20 HZ1 LYS 20 1.613 9.121 6.337 191 3HZ LYS 20 HZ3 LYS 20 0.088 8.402 6.518 192 H CYS 21 HN CYS 21 2.740 6.144 -0.704 193 HA CYS 21 HA CYS 21 -0.142 5.891 -0.719 194 1HB CYS 21 HB2 CYS 21 1.792 6.194 -3.015 195 2HB CYS 21 HB1 CYS 21 0.056 6.443 -3.033 196 H CYS 22 HN CYS 22 2.314 4.288 -2.769 197 HA CYS 22 HA CYS 22 0.585 2.434 -3.920 198 1HB CYS 22 HB2 CYS 22 2.542 2.500 -4.985 199 2HB CYS 22 HB1 CYS 22 3.512 2.576 -3.521 200 H TYR 23 HN TYR 23 2.409 2.281 -0.893 201 HA TYR 23 HA TYR 23 1.692 -0.401 -0.198 202 1HB TYR 23 HB2 TYR 23 2.429 2.035 1.431 203 2HB TYR 23 HB1 TYR 23 1.952 0.528 2.213 204 HD1 TYR 23 HD2 TYR 23 4.359 2.013 -0.188 205 HD2 TYR 23 HD1 TYR 23 3.464 -1.310 2.372 206 HE1 TYR 23 HE2 TYR 23 6.653 1.137 -0.530 207 HE2 TYR 23 HE1 TYR 23 5.757 -2.196 2.025 208 HH TYR 23 HH TYR 23 8.024 -1.227 1.391 209 H ASP 24 HN ASP 24 0.152 2.734 0.105 210 HA ASP 24 HA ASP 24 -2.075 1.981 1.717 211 1HB ASP 24 HB2 ASP 24 -1.527 4.240 -0.229 212 2HB ASP 24 HB1 ASP 24 -3.178 3.969 0.354 213 H GLY 25 HN GLY 25 -1.491 1.782 -1.758 214 1HA GLY 25 HA2 GLY 25 -4.182 1.043 -2.485 215 2HA GLY 25 HA1 GLY 25 -2.741 0.783 -3.469 216 H ALA 26 HN ALA 26 -1.206 -0.955 -2.304 217 HA ALA 26 HA ALA 26 -2.721 -3.427 -2.365 218 1HB ALA 26 HB1 ALA 26 -0.052 -2.692 -2.737 219 2HB ALA 26 HB3 ALA 26 -0.035 -3.699 -1.291 220 3HB ALA 26 HB2 ALA 26 -0.707 -4.328 -2.796 221 H SER 27 HN SER 27 -2.260 -1.231 0.171 222 HA SER 27 HA SER 27 -2.222 -3.369 2.219 223 1HB SER 27 HB2 SER 27 -1.926 -0.407 2.395 224 2HB SER 27 HB1 SER 27 -2.024 -1.437 3.797 225 HG SER 27 HG SER 27 -0.254 -2.616 2.461 226 H VAL 28 HN VAL 28 -3.993 -0.333 1.682 227 HA VAL 28 HA VAL 28 -6.073 -0.604 3.446 228 HB VAL 28 HB VAL 28 -7.434 0.670 1.845 229 1HG1 VAL 28 HG11 VAL 28 -4.605 1.274 2.424 230 2HG1 VAL 28 HG13 VAL 28 -5.307 2.217 1.108 231 3HG1 VAL 28 HG12 VAL 28 -6.045 2.252 2.709 232 1HG2 VAL 28 HG21 VAL 28 -5.474 -0.536 -0.054 233 2HG2 VAL 28 HG23 VAL 28 -7.198 -0.235 -0.267 234 3HG2 VAL 28 HG22 VAL 28 -6.048 1.094 -0.404 235 H ASN 29 HN ASN 29 -8.282 -1.471 3.213 236 HA ASN 29 HA ASN 29 -8.522 -4.168 2.742 237 1HB ASN 29 HB2 ASN 29 -10.322 -2.091 3.240 238 2HB ASN 29 HB1 ASN 29 -10.900 -2.805 1.736 239 1HD2 ASN 29 HD22 ASN 29 -10.635 -5.330 4.984 240 2HD2 ASN 29 HD21 ASN 29 -9.452 -4.130 4.778 241 H ASN 30 HN ASN 30 -9.715 -5.308 0.918 242 HA ASN 30 HA ASN 30 -8.355 -5.377 -1.461 243 1HB ASN 30 HB2 ASN 30 -10.948 -6.261 -0.564 244 2HB ASN 30 HB1 ASN 30 -11.065 -5.687 -2.227 245 1HD2 ASN 30 HD22 ASN 30 -8.607 -8.890 -1.426 246 2HD2 ASN 30 HD21 ASN 30 -8.960 -7.790 -0.184 247 H ASP 31 HN ASP 31 -10.716 -2.962 -0.507 248 HA ASP 31 HA ASP 31 -9.881 -1.319 -2.809 249 1HB ASP 31 HB2 ASP 31 -12.771 -2.109 -2.334 250 2HB ASP 31 HB1 ASP 31 -12.243 -0.865 -3.467 251 H GLU 32 HN GLU 32 -10.079 -1.407 0.344 252 HA GLU 32 HA GLU 32 -11.762 0.596 1.303 253 1HB GLU 32 HB2 GLU 32 -10.476 -0.342 2.986 254 2HB GLU 32 HB1 GLU 32 -8.993 -0.261 2.043 255 1HG GLU 32 HG2 GLU 32 -8.557 1.908 2.674 256 2HG GLU 32 HG1 GLU 32 -10.267 2.331 2.765 257 H THR 33 HN THR 33 -8.411 1.149 0.163 258 HA THR 33 HA THR 33 -9.223 3.934 -0.542 259 HB THR 33 HB THR 33 -6.384 2.939 -0.395 260 HG1 THR 33 HG1 THR 33 -8.114 3.767 1.676 261 1HG2 THR 33 HG23 THR 33 -7.747 5.625 -0.137 262 2HG2 THR 33 HG22 THR 33 -6.037 5.365 0.205 263 3HG2 THR 33 HG21 THR 33 -6.661 5.095 -1.423 264 H CYS 34 HN CYS 34 -7.482 1.073 -1.760 265 HA CYS 34 HA CYS 34 -6.563 1.772 -4.254 266 1HB CYS 34 HB2 CYS 34 -6.688 -0.553 -3.399 267 2HB CYS 34 HB1 CYS 34 -8.423 -0.564 -3.716 268 H GLU 35 HN GLU 35 -9.950 1.557 -3.277 269 HA GLU 35 HA GLU 35 -10.878 2.209 -6.011 270 1HB GLU 35 HB2 GLU 35 -12.107 0.516 -4.722 271 2HB GLU 35 HB1 GLU 35 -12.439 1.706 -3.463 272 1HG GLU 35 HG2 GLU 35 -14.369 2.011 -4.652 273 2HG GLU 35 HG1 GLU 35 -13.341 3.060 -5.631 274 H GLN 36 HN GLN 36 -11.873 3.545 -2.829 275 HA GLN 36 HA GLN 36 -12.925 5.941 -3.733 276 1HB GLN 36 HB2 GLN 36 -11.388 5.272 -1.233 277 2HB GLN 36 HB1 GLN 36 -11.958 6.917 -1.515 278 1HG GLN 36 HG2 GLN 36 -14.264 5.951 -1.905 279 2HG GLN 36 HG1 GLN 36 -13.634 4.400 -1.351 280 1HE2 GLN 36 HE22 GLN 36 -13.998 7.462 1.376 281 2HE2 GLN 36 HE21 GLN 36 -13.850 7.837 -0.272 282 H ARG 37 HN ARG 37 -9.605 5.006 -3.743 283 HA ARG 37 HA ARG 37 -8.725 7.759 -4.340 284 1HB ARG 37 HB2 ARG 37 -7.525 5.429 -3.100 285 2HB ARG 37 HB1 ARG 37 -6.515 6.030 -4.412 286 1HG ARG 37 HG2 ARG 37 -6.161 7.028 -2.047 287 2HG ARG 37 HG1 ARG 37 -6.262 8.142 -3.405 288 1HD ARG 37 HD2 ARG 37 -8.362 8.914 -2.793 289 2HD ARG 37 HD1 ARG 37 -8.795 7.404 -1.994 290 HE ARG 37 HE ARG 37 -6.738 8.419 -0.435 291 1HH1 ARG 37 HH21 ARG 37 -9.767 9.555 -1.647 292 2HH1 ARG 37 HH22 ARG 37 -10.053 10.613 -0.305 293 1HH2 ARG 37 HH12 ARG 37 -7.102 9.796 1.318 294 2HH2 ARG 37 HH11 ARG 37 -8.547 10.749 1.370 295 H ALA 38 HN ALA 38 -8.533 4.451 -5.774 296 HA ALA 38 HA ALA 38 -7.331 5.498 -8.212 297 1HB ALA 38 HB2 ALA 38 -7.107 3.116 -7.373 298 2HB ALA 38 HB1 ALA 38 -8.772 2.857 -7.892 299 3HB ALA 38 HB3 ALA 38 -7.533 3.268 -9.077 300 H ALA 39 HN ALA 39 -10.586 4.219 -7.474 301 HA ALA 39 HA ALA 39 -11.649 5.015 -10.048 302 1HB ALA 39 HB3 ALA 39 -12.533 3.479 -7.834 303 2HB ALA 39 HB2 ALA 39 -13.707 4.777 -8.047 304 3HB ALA 39 HB1 ALA 39 -13.343 3.689 -9.386 305 H ARG 40 HN ARG 40 -11.972 6.351 -6.745 306 HA ARG 40 HA ARG 40 -13.266 8.763 -7.873 307 1HB ARG 40 HB2 ARG 40 -13.062 7.492 -5.217 308 2HB ARG 40 HB1 ARG 40 -12.967 9.253 -5.191 309 1HG ARG 40 HG2 ARG 40 -15.122 9.520 -5.938 310 2HG ARG 40 HG1 ARG 40 -15.071 8.058 -6.924 311 1HD ARG 40 HD2 ARG 40 -14.845 7.546 -4.036 312 2HD ARG 40 HD1 ARG 40 -16.378 8.276 -4.512 313 HE ARG 40 HE ARG 40 -16.019 6.241 -6.356 314 1HH1 ARG 40 HH21 ARG 40 -16.011 6.525 -2.913 315 2HH1 ARG 40 HH22 ARG 40 -16.596 4.917 -2.651 316 1HH2 ARG 40 HH12 ARG 40 -16.782 4.145 -6.026 317 2HH2 ARG 40 HH11 ARG 40 -17.034 3.572 -4.411 318 H ILE 41 HN ILE 41 -11.835 10.219 -8.718 319 HA ILE 41 HA ILE 41 -9.525 11.006 -7.006 320 HB ILE 41 HB ILE 41 -9.428 10.331 -9.958 321 1HG1 ILE 41 HG12 ILE 41 -7.671 9.377 -7.693 322 2HG1 ILE 41 HG11 ILE 41 -9.148 8.533 -8.162 323 1HG2 ILE 41 HG21 ILE 41 -7.650 12.007 -8.231 324 2HG2 ILE 41 HG23 ILE 41 -6.929 11.022 -9.502 325 3HG2 ILE 41 HG22 ILE 41 -8.124 12.253 -9.911 326 1HD1 ILE 41 HD11 ILE 41 -7.073 9.225 -10.231 327 2HD1 ILE 41 HD13 ILE 41 -6.899 7.777 -9.240 328 3HD1 ILE 41 HD12 ILE 41 -8.308 7.968 -10.282 329 H SER 42 HN SER 42 -10.467 13.002 -6.463 330 HA SER 42 HA SER 42 -11.921 14.711 -8.174 331 1HB SER 42 HB2 SER 42 -10.780 14.879 -5.578 332 2HB SER 42 HB1 SER 42 -10.218 16.289 -6.471 333 HG SER 42 HG SER 42 -12.401 16.283 -5.339 334 H LEU 43 HN LEU 43 -8.470 15.132 -7.311 335 HA LEU 43 HA LEU 43 -8.043 16.155 -10.091 336 1HB LEU 43 HB2 LEU 43 -6.063 17.407 -8.830 337 2HB LEU 43 HB1 LEU 43 -7.683 18.098 -8.885 338 HG LEU 43 HG LEU 43 -8.140 16.881 -6.690 339 1HD1 LEU 43 HD13 LEU 43 -5.127 16.565 -6.842 340 2HD1 LEU 43 HD12 LEU 43 -6.078 16.323 -5.378 341 3HD1 LEU 43 HD11 LEU 43 -6.318 15.267 -6.770 342 1HD2 LEU 43 HD22 LEU 43 -7.393 19.360 -7.074 343 2HD2 LEU 43 HD21 LEU 43 -7.334 18.698 -5.440 344 3HD2 LEU 43 HD23 LEU 43 -5.857 18.822 -6.395 345 H GLY 44 HN GLY 44 -7.282 13.775 -7.844 346 1HA GLY 44 HA2 GLY 44 -5.808 11.944 -8.093 347 2HA GLY 44 HA1 GLY 44 -5.185 12.690 -9.564 348 HA PRO 45 HA PRO 45 -3.109 14.901 -5.562 349 1HB PRO 45 HB2 PRO 45 -2.981 12.556 -3.859 350 2HB PRO 45 HB1 PRO 45 -3.624 14.159 -3.488 351 1HG PRO 45 HG2 PRO 45 -5.081 11.753 -3.996 352 2HG PRO 45 HG1 PRO 45 -5.720 13.359 -3.629 353 1HD PRO 45 HD2 PRO 45 -5.931 11.983 -6.078 354 2HD PRO 45 HD1 PRO 45 -6.336 13.680 -5.779 355 H ARG 46 HN ARG 46 -2.531 11.388 -5.334 356 HA ARG 46 HA ARG 46 -0.429 11.242 -7.237 357 1HB ARG 46 HB2 ARG 46 0.826 12.779 -5.875 358 2HB ARG 46 HB1 ARG 46 0.433 11.887 -4.406 359 1HG ARG 46 HG2 ARG 46 2.742 11.411 -5.247 360 2HG ARG 46 HG1 ARG 46 1.728 9.970 -5.166 361 1HD ARG 46 HD2 ARG 46 2.923 9.999 -7.297 362 2HD ARG 46 HD1 ARG 46 1.201 10.247 -7.588 363 HE ARG 46 HE ARG 46 2.209 12.817 -7.371 364 1HH1 ARG 46 HH21 ARG 46 2.951 9.989 -9.209 365 2HH1 ARG 46 HH22 ARG 46 3.542 10.875 -10.574 366 1HH2 ARG 46 HH12 ARG 46 2.976 13.982 -9.146 367 2HH2 ARG 46 HH11 ARG 46 3.557 13.132 -10.539 368 H CYS 47 HN CYS 47 -1.356 10.142 -3.957 369 HA CYS 47 HA CYS 47 -0.237 7.551 -4.238 370 1HB CYS 47 HB2 CYS 47 -2.704 8.174 -2.593 371 2HB CYS 47 HB1 CYS 47 -1.593 6.855 -2.346 372 H ILE 48 HN ILE 48 -3.273 8.881 -5.406 373 HA ILE 48 HA ILE 48 -4.437 6.321 -5.904 374 HB ILE 48 HB ILE 48 -6.122 7.433 -7.080 375 1HG1 ILE 48 HG12 ILE 48 -4.508 8.504 -8.757 376 2HG1 ILE 48 HG11 ILE 48 -5.928 9.445 -8.338 377 1HG2 ILE 48 HG22 ILE 48 -5.027 8.715 -4.769 378 2HG2 ILE 48 HG21 ILE 48 -5.733 9.940 -5.821 379 3HG2 ILE 48 HG23 ILE 48 -6.713 8.587 -5.261 380 1HD1 ILE 48 HD12 ILE 48 -3.235 9.789 -7.004 381 2HD1 ILE 48 HD11 ILE 48 -3.829 10.795 -8.324 382 3HD1 ILE 48 HD13 ILE 48 -4.668 10.787 -6.773 383 H LYS 49 HN LYS 49 -2.647 8.501 -8.174 384 HA LYS 49 HA LYS 49 -2.684 6.644 -10.331 385 1HB LYS 49 HB2 LYS 49 -0.526 8.664 -9.652 386 2HB LYS 49 HB1 LYS 49 -0.830 7.949 -11.231 387 1HG LYS 49 HG2 LYS 49 -3.307 8.983 -10.410 388 2HG LYS 49 HG1 LYS 49 -2.123 10.220 -9.988 389 1HD LYS 49 HD2 LYS 49 -1.395 10.464 -12.207 390 2HD LYS 49 HD1 LYS 49 -2.039 8.893 -12.689 391 1HE LYS 49 HE2 LYS 49 -4.299 10.196 -11.810 392 2HE LYS 49 HE1 LYS 49 -3.383 11.507 -12.555 393 1HZ LYS 49 HZ2 LYS 49 -3.313 9.117 -14.116 394 2HZ LYS 49 HZ1 LYS 49 -4.904 9.656 -13.863 395 3HZ LYS 49 HZ3 LYS 49 -3.762 10.692 -14.570 396 H ALA 50 HN ALA 50 0.046 7.377 -8.133 397 HA ALA 50 HA ALA 50 1.735 5.231 -8.824 398 1HB ALA 50 HB2 ALA 50 1.228 6.374 -6.059 399 2HB ALA 50 HB1 ALA 50 2.602 5.363 -6.502 400 3HB ALA 50 HB3 ALA 50 2.421 6.967 -7.213 401 H PHE 51 HN PHE 51 -0.304 5.342 -5.987 402 HA PHE 51 HA PHE 51 -0.072 2.598 -5.522 403 1HB PHE 51 HB2 PHE 51 -1.024 3.106 -3.609 404 2HB PHE 51 HB1 PHE 51 -0.971 4.765 -4.107 405 HD1 PHE 51 HD1 PHE 51 -3.274 4.426 -6.231 406 HD2 PHE 51 HD2 PHE 51 -2.868 3.329 -2.123 407 HE1 PHE 51 HE1 PHE 51 -5.726 4.449 -5.985 408 HE2 PHE 51 HE2 PHE 51 -5.326 3.385 -1.874 409 HZ PHE 51 HZ PHE 51 -6.754 3.934 -3.809 410 H THR 52 HN THR 52 -1.885 4.090 -7.938 411 HA THR 52 HA THR 52 -4.121 2.197 -7.887 412 HB THR 52 HB THR 52 -3.226 4.381 -9.748 413 HG1 THR 52 HG1 THR 52 -5.508 3.606 -8.318 414 1HG2 THR 52 HG22 THR 52 -4.611 1.889 -10.578 415 2HG2 THR 52 HG21 THR 52 -5.340 3.396 -11.133 416 3HG2 THR 52 HG23 THR 52 -3.665 3.024 -11.540 417 H GLU 53 HN GLU 53 -1.486 2.789 -10.253 418 HA GLU 53 HA GLU 53 -1.716 0.231 -11.496 419 1HB GLU 53 HB2 GLU 53 -0.035 2.415 -11.782 420 2HB GLU 53 HB1 GLU 53 1.053 1.165 -11.183 421 1HG GLU 53 HG2 GLU 53 0.762 -0.178 -13.040 422 2HG GLU 53 HG1 GLU 53 -0.873 0.413 -13.338 423 H CYS 54 HN CYS 54 -0.124 1.282 -8.552 424 HA CYS 54 HA CYS 54 1.231 -1.210 -8.017 425 1HB CYS 54 HB2 CYS 54 2.131 0.636 -6.924 426 2HB CYS 54 HB1 CYS 54 0.553 1.256 -6.429 427 H CYS 55 HN CYS 55 -1.995 0.040 -7.231 428 HA CYS 55 HA CYS 55 -2.565 -2.158 -5.406 429 1HB CYS 55 HB2 CYS 55 -3.913 -0.219 -5.017 430 2HB CYS 55 HB1 CYS 55 -4.372 -0.077 -6.708 431 H VAL 56 HN VAL 56 -3.948 -1.336 -8.625 432 HA VAL 56 HA VAL 56 -5.195 -3.716 -9.251 433 HB VAL 56 HB VAL 56 -5.396 -2.243 -11.021 434 1HG1 VAL 56 HG13 VAL 56 -2.686 -1.437 -10.167 435 2HG1 VAL 56 HG12 VAL 56 -3.019 -1.231 -11.887 436 3HG1 VAL 56 HG11 VAL 56 -4.047 -0.444 -10.688 437 1HG2 VAL 56 HG23 VAL 56 -4.534 -4.411 -11.961 438 2HG2 VAL 56 HG22 VAL 56 -4.156 -3.016 -12.972 439 3HG2 VAL 56 HG21 VAL 56 -2.910 -3.723 -11.944 440 H VAL 57 HN VAL 57 -1.748 -3.053 -10.074 441 HA VAL 57 HA VAL 57 -1.058 -5.655 -10.835 442 HB VAL 57 HB VAL 57 0.496 -3.777 -10.985 443 1HG1 VAL 57 HG13 VAL 57 -0.266 -2.971 -8.618 444 2HG1 VAL 57 HG12 VAL 57 1.032 -4.013 -8.037 445 3HG1 VAL 57 HG11 VAL 57 1.394 -2.676 -9.127 446 1HG2 VAL 57 HG23 VAL 57 1.302 -6.194 -10.806 447 2HG2 VAL 57 HG22 VAL 57 2.499 -4.965 -10.397 448 3HG2 VAL 57 HG21 VAL 57 1.673 -5.851 -9.116 449 H ALA 58 HN ALA 58 -1.008 -4.322 -7.488 450 HA ALA 58 HA ALA 58 -0.124 -6.631 -6.161 451 1HB ALA 58 HB3 ALA 58 -1.544 -4.227 -5.450 452 2HB ALA 58 HB2 ALA 58 -2.252 -5.600 -4.601 453 3HB ALA 58 HB1 ALA 58 -0.533 -5.250 -4.429 454 H SER 59 HN SER 59 -3.572 -5.784 -6.433 455 HA SER 59 HA SER 59 -4.597 -8.340 -5.780 456 1HB SER 59 HB2 SER 59 -6.286 -7.052 -7.733 457 2HB SER 59 HB1 SER 59 -6.564 -7.272 -6.006 458 HG SER 59 HG SER 59 -6.393 -5.036 -6.832 459 H GLN 60 HN GLN 60 -4.872 -6.979 -9.058 460 HA GLN 60 HA GLN 60 -5.453 -9.182 -10.523 461 1HB GLN 60 HB2 GLN 60 -3.634 -6.875 -11.110 462 2HB GLN 60 HB1 GLN 60 -3.720 -8.198 -12.274 463 1HG GLN 60 HG2 GLN 60 -6.300 -7.134 -11.218 464 2HG GLN 60 HG1 GLN 60 -5.418 -6.130 -12.371 465 1HE2 GLN 60 HE22 GLN 60 -7.297 -8.116 -14.712 466 2HE2 GLN 60 HE21 GLN 60 -7.336 -6.658 -13.842 467 H LEU 61 HN LEU 61 -2.360 -8.545 -9.024 468 HA LEU 61 HA LEU 61 -0.943 -10.750 -10.314 469 1HB LEU 61 HB2 LEU 61 -0.415 -8.976 -7.936 470 2HB LEU 61 HB1 LEU 61 0.620 -10.346 -8.283 471 HG LEU 61 HG LEU 61 0.996 -7.878 -9.199 472 1HD1 LEU 61 HD12 LEU 61 2.493 -9.913 -9.308 473 2HD1 LEU 61 HD11 LEU 61 1.746 -10.263 -10.867 474 3HD1 LEU 61 HD13 LEU 61 2.660 -8.773 -10.642 475 1HD2 LEU 61 HD23 LEU 61 -1.078 -8.025 -10.626 476 2HD2 LEU 61 HD22 LEU 61 0.388 -7.677 -11.539 477 3HD2 LEU 61 HD21 LEU 61 -0.283 -9.308 -11.536 478 H ARG 62 HN ARG 62 -1.144 -10.295 -6.870 479 HA ARG 62 HA ARG 62 -0.973 -12.811 -5.903 480 1HB ARG 62 HB2 ARG 62 -2.328 -10.433 -4.990 481 2HB ARG 62 HB1 ARG 62 -3.249 -11.860 -4.515 482 1HG ARG 62 HG2 ARG 62 -1.146 -12.854 -3.592 483 2HG ARG 62 HG1 ARG 62 -0.314 -11.343 -3.960 484 1HD ARG 62 HD2 ARG 62 -2.745 -10.769 -2.539 485 2HD ARG 62 HD1 ARG 62 -1.819 -11.965 -1.637 486 HE ARG 62 HE ARG 62 -1.222 -9.200 -1.761 487 1HH1 ARG 62 HH21 ARG 62 0.373 -12.241 -2.202 488 2HH1 ARG 62 HH22 ARG 62 1.957 -11.568 -2.038 489 1HH2 ARG 62 HH12 ARG 62 0.837 -8.333 -1.527 490 2HH2 ARG 62 HH11 ARG 62 2.220 -9.368 -1.647 491 H ALA 63 HN ALA 63 -4.164 -11.584 -7.020 492 HA ALA 63 HA ALA 63 -5.693 -13.876 -6.665 493 1HB ALA 63 HB3 ALA 63 -5.654 -11.834 -8.883 494 2HB ALA 63 HB2 ALA 63 -6.775 -13.192 -8.941 495 3HB ALA 63 HB1 ALA 63 -6.846 -12.048 -7.601 496 H ASN 64 HN ASN 64 -3.843 -13.145 -9.640 497 HA ASN 64 HA ASN 64 -3.176 -16.025 -9.873 498 1HB ASN 64 HB2 ASN 64 -5.242 -14.844 -11.384 499 2HB ASN 64 HB1 ASN 64 -3.863 -14.956 -12.478 500 1HD2 ASN 64 HD22 ASN 64 -5.559 -18.228 -12.732 501 2HD2 ASN 64 HD21 ASN 64 -5.873 -16.623 -13.188 502 H ILE 65 HN ILE 65 -1.231 -14.507 -9.099 503 HA ILE 65 HA ILE 65 0.061 -12.815 -10.992 504 HB ILE 65 HB ILE 65 2.089 -14.181 -9.485 505 1HG1 ILE 65 HG12 ILE 65 -0.331 -13.291 -7.885 506 2HG1 ILE 65 HG11 ILE 65 0.304 -14.934 -7.975 507 1HG2 ILE 65 HG21 ILE 65 0.872 -11.482 -9.764 508 2HG2 ILE 65 HG23 ILE 65 1.827 -11.769 -8.310 509 3HG2 ILE 65 HG22 ILE 65 2.560 -11.970 -9.902 510 1HD1 ILE 65 HD11 ILE 65 2.545 -13.769 -7.184 511 2HD1 ILE 65 HD13 ILE 65 1.438 -12.538 -6.577 512 3HD1 ILE 65 HD12 ILE 65 1.302 -14.202 -6.009 513 H SER 66 HN SER 66 -0.393 -16.178 -11.131 514 HA SER 66 HA SER 66 1.895 -17.250 -12.255 515 1HB SER 66 HB2 SER 66 0.340 -18.580 -13.758 516 2HB SER 66 HB1 SER 66 -0.063 -18.629 -12.043 517 HG SER 66 HG SER 66 -1.359 -17.379 -14.173 518 H HIS 67 HN HIS 67 -0.160 -14.769 -13.613 519 HA HIS 67 HA HIS 67 1.060 -14.969 -16.281 520 1HB HIS 67 HB2 HIS 67 -1.365 -14.128 -15.557 521 2HB HIS 67 HB1 HIS 67 -0.527 -12.581 -15.429 522 HD1 HIS 67 HD1 HIS 67 -1.513 -11.519 -17.544 523 HD2 HIS 67 HD2 HIS 67 0.351 -15.175 -18.278 524 HE1 HIS 67 HE1 HIS 67 -1.353 -11.750 -20.061 525 H LYS 68 HN LYS 68 1.005 -11.881 -16.375 526 HA LYS 68 HA LYS 68 3.744 -11.548 -15.240 527 1HB LYS 68 HB2 LYS 68 3.032 -11.163 -17.783 528 2HB LYS 68 HB1 LYS 68 2.578 -9.577 -17.159 529 1HG LYS 68 HG2 LYS 68 4.823 -9.221 -16.292 530 2HG LYS 68 HG1 LYS 68 5.296 -10.858 -16.749 531 1HD LYS 68 HD2 LYS 68 5.826 -10.147 -18.814 532 2HD LYS 68 HD1 LYS 68 4.183 -9.547 -19.046 533 1HE LYS 68 HE2 LYS 68 5.231 -7.638 -17.380 534 2HE LYS 68 HE1 LYS 68 6.642 -8.074 -18.344 535 1HZ LYS 68 HZ2 LYS 68 3.990 -7.370 -19.477 536 2HZ LYS 68 HZ1 LYS 68 5.288 -6.285 -19.333 537 3HZ LYS 68 HZ3 LYS 68 5.427 -7.642 -20.341 538 H ASP 69 HN ASP 69 4.211 -9.205 -14.551 539 HA ASP 69 HA ASP 69 1.982 -8.308 -12.803 540 1HB ASP 69 HB2 ASP 69 3.654 -7.195 -11.492 541 2HB ASP 69 HB1 ASP 69 4.314 -8.782 -11.889 542 H MET 70 HN MET 70 2.600 -5.658 -12.431 543 HA MET 70 HA MET 70 2.637 -4.429 -15.142 544 1HB MET 70 HB2 MET 70 0.249 -4.790 -14.351 545 2HB MET 70 HB1 MET 70 0.597 -3.673 -13.032 546 1HG MET 70 HG2 MET 70 0.765 -1.842 -14.439 547 2HG MET 70 HG1 MET 70 1.264 -2.817 -15.821 548 1HE MET 70 HE1 MET 70 -0.038 -1.162 -16.913 549 2HE MET 70 HE3 MET 70 -0.690 -2.483 -17.892 550 3HE MET 70 HE2 MET 70 -1.765 -1.245 -17.247 551 H CYS 71 HN CYS 71 1.965 -3.182 -11.866 552 HA CYS 71 HA CYS 71 4.400 -1.473 -12.151 553 1HB CYS 71 HB2 CYS 71 1.606 -0.821 -11.499 554 2HB CYS 71 HB1 CYS 71 2.775 -0.119 -10.374 555 1H CYS 72 HN3 CYS 72 3.910 4.268 -11.932 556 2H CYS 72 HN2 CYS 72 2.479 3.360 -12.064 557 3H CYS 72 HN1 CYS 72 2.425 4.953 -11.478 558 HA CYS 72 HA CYS 72 2.215 3.484 -9.622 559 1HB CYS 72 HB2 CYS 72 4.648 2.227 -9.380 560 2HB CYS 72 HB1 CYS 72 3.131 1.463 -9.815 561 H LEU 73 HN LEU 73 5.535 4.320 -10.656 562 HA LEU 73 HA LEU 73 6.399 5.212 -8.128 563 1HB LEU 73 HB2 LEU 73 8.165 6.445 -9.375 564 2HB LEU 73 HB1 LEU 73 7.960 4.797 -9.974 565 HG LEU 73 HG LEU 73 6.126 6.268 -11.462 566 1HD1 LEU 73 HD11 LEU 73 8.556 7.892 -10.786 567 2HD1 LEU 73 HD13 LEU 73 7.880 8.003 -12.411 568 3HD1 LEU 73 HD12 LEU 73 6.888 8.420 -11.014 569 1HD2 LEU 73 HD21 LEU 73 8.902 5.207 -11.963 570 2HD2 LEU 73 HD23 LEU 73 7.357 4.565 -12.521 571 3HD2 LEU 73 HD22 LEU 73 8.017 6.031 -13.246 572 H GLY 74 HN GLY 74 7.105 7.696 -7.864 573 1HA GLY 74 HA2 GLY 74 5.402 9.706 -9.015 574 2HA GLY 74 HA1 GLY 74 4.772 9.225 -7.442 575 1HN DAR 75 HN ARG 75 5.851 11.828 -8.106 576 HA DAR 75 HA ARG 75 7.296 13.423 -7.174 577 1HB DAR 75 HB1 ARG 75 8.949 11.885 -8.435 578 2HB DAR 75 HB2 ARG 75 9.318 11.206 -6.849 579 1HG DAR 75 HG1 ARG 75 9.292 14.175 -7.046 580 2HG DAR 75 HG2 ARG 75 10.618 13.349 -7.864 581 1HD DAR 75 HD1 ARG 75 10.360 12.059 -5.373 582 2HD DAR 75 HD2 ARG 75 10.205 13.780 -5.030 583 HNE DAR 75 HE ARG 75 12.508 13.897 -5.303 584 1HH1 DAR 75 HH11 ARG 75 14.407 13.685 -6.481 585 2HH1 DAR 75 HH12 ARG 75 14.477 12.564 -7.800 586 1HH2 DAR 75 HH21 ARG 75 11.217 11.476 -7.419 587 2HH2 DAR 75 HH22 ARG 75 12.675 11.330 -8.333 No H/Q in entry = 587 Start of MODEL 18 1 1H MET 1 HN3 MET 1 16.518 -6.979 0.611 2 2H MET 1 HN2 MET 1 16.130 -6.143 2.038 3 3H MET 1 HN1 MET 1 15.649 -7.760 1.841 4 HA MET 1 HA MET 1 13.716 -6.531 1.446 5 1HB MET 1 HB2 MET 1 15.647 -4.704 0.051 6 2HB MET 1 HB1 MET 1 13.952 -4.696 -0.438 7 1HG MET 1 HG2 MET 1 13.301 -4.315 1.937 8 2HG MET 1 HG1 MET 1 15.009 -4.231 2.367 9 1HE MET 1 HE1 MET 1 14.815 -2.145 3.449 10 2HE MET 1 HE3 MET 1 16.271 -1.971 2.461 11 3HE MET 1 HE2 MET 1 15.139 -0.630 2.612 12 H LEU 2 HN LEU 2 14.314 -8.933 0.481 13 HA LEU 2 HA LEU 2 13.394 -8.782 -2.339 14 1HB LEU 2 HB2 LEU 2 16.037 -9.252 -1.827 15 2HB LEU 2 HB1 LEU 2 15.397 -10.895 -1.825 16 HG LEU 2 HG LEU 2 14.172 -10.133 -4.016 17 1HD1 LEU 2 HD12 LEU 2 16.064 -7.931 -3.442 18 2HD1 LEU 2 HD11 LEU 2 16.107 -8.541 -5.096 19 3HD1 LEU 2 HD13 LEU 2 14.597 -7.929 -4.421 20 1HD2 LEU 2 HD23 LEU 2 16.696 -11.352 -3.438 21 2HD2 LEU 2 HD22 LEU 2 15.659 -11.612 -4.840 22 3HD2 LEU 2 HD21 LEU 2 16.892 -10.351 -4.877 23 H GLN 3 HN GLN 3 12.516 -9.699 0.529 24 HA GLN 3 HA GLN 3 11.676 -12.457 -0.262 25 1HB GLN 3 HB2 GLN 3 11.313 -12.856 2.145 26 2HB GLN 3 HB1 GLN 3 12.971 -12.339 1.838 27 1HG GLN 3 HG2 GLN 3 12.336 -10.012 2.428 28 2HG GLN 3 HG1 GLN 3 10.704 -10.571 2.800 29 1HE2 GLN 3 HE22 GLN 3 13.752 -11.339 5.414 30 2HE2 GLN 3 HE21 GLN 3 14.088 -10.719 3.871 31 H LYS 4 HN LYS 4 10.210 -10.540 -1.485 32 HA LYS 4 HA LYS 4 7.572 -10.902 -0.254 33 1HB LYS 4 HB2 LYS 4 7.407 -8.202 -0.806 34 2HB LYS 4 HB1 LYS 4 7.588 -8.893 0.805 35 1HG LYS 4 HG2 LYS 4 10.069 -8.492 -0.809 36 2HG LYS 4 HG1 LYS 4 9.295 -7.060 -0.128 37 1HD LYS 4 HD2 LYS 4 9.333 -9.122 1.867 38 2HD LYS 4 HD1 LYS 4 10.959 -8.937 1.211 39 1HE LYS 4 HE2 LYS 4 10.310 -6.338 1.458 40 2HE LYS 4 HE1 LYS 4 9.305 -6.999 2.748 41 1HZ LYS 4 HZ1 LYS 4 11.387 -8.222 3.466 42 2HZ LYS 4 HZ3 LYS 4 12.240 -7.178 2.436 43 3HZ LYS 4 HZ2 LYS 4 11.353 -6.545 3.740 44 H LYS 5 HN LYS 5 5.868 -9.810 -1.765 45 HA LYS 5 HA LYS 5 6.744 -10.353 -4.560 46 1HB LYS 5 HB2 LYS 5 3.868 -9.931 -3.861 47 2HB LYS 5 HB1 LYS 5 4.588 -11.046 -5.021 48 1HG LYS 5 HG2 LYS 5 4.049 -12.575 -3.394 49 2HG LYS 5 HG1 LYS 5 5.618 -12.077 -2.760 50 1HD LYS 5 HD2 LYS 5 4.640 -11.281 -0.898 51 2HD LYS 5 HD1 LYS 5 3.632 -10.207 -1.869 52 1HE LYS 5 HE2 LYS 5 1.998 -12.001 -2.208 53 2HE LYS 5 HE1 LYS 5 3.017 -13.124 -1.309 54 1HZ LYS 5 HZ2 LYS 5 2.844 -11.273 0.503 55 2HZ LYS 5 HZ1 LYS 5 1.419 -10.871 -0.331 56 3HZ LYS 5 HZ3 LYS 5 1.609 -12.424 0.324 57 H ILE 6 HN ILE 6 4.200 -8.220 -3.222 58 HA ILE 6 HA ILE 6 5.137 -6.121 -5.109 59 HB ILE 6 HB ILE 6 2.522 -6.858 -3.898 60 1HG1 ILE 6 HG12 ILE 6 3.359 -7.125 -6.336 61 2HG1 ILE 6 HG11 ILE 6 1.735 -6.483 -6.090 62 1HG2 ILE 6 HG23 ILE 6 2.850 -4.600 -2.950 63 2HG2 ILE 6 HG22 ILE 6 3.201 -3.975 -4.561 64 3HG2 ILE 6 HG21 ILE 6 1.592 -4.593 -4.187 65 1HD1 ILE 6 HD13 ILE 6 3.876 -4.442 -6.126 66 2HD1 ILE 6 HD12 ILE 6 3.631 -5.284 -7.656 67 3HD1 ILE 6 HD11 ILE 6 2.291 -4.424 -6.899 68 H GLU 7 HN GLU 7 5.508 -7.004 -1.907 69 HA GLU 7 HA GLU 7 5.225 -4.611 -0.438 70 1HB GLU 7 HB2 GLU 7 6.146 -7.115 0.136 71 2HB GLU 7 HB1 GLU 7 7.649 -6.193 0.166 72 1HG GLU 7 HG2 GLU 7 7.110 -5.306 2.160 73 2HG GLU 7 HG1 GLU 7 5.590 -4.693 1.507 74 H GLU 8 HN GLU 8 8.395 -5.805 -1.616 75 HA GLU 8 HA GLU 8 9.578 -3.184 -1.436 76 1HB GLU 8 HB2 GLU 8 11.484 -4.169 -2.600 77 2HB GLU 8 HB1 GLU 8 10.876 -5.344 -1.433 78 1HG GLU 8 HG2 GLU 8 9.668 -6.529 -3.184 79 2HG GLU 8 HG1 GLU 8 10.127 -5.306 -4.371 80 H ILE 9 HN ILE 9 7.808 -4.872 -3.975 81 HA ILE 9 HA ILE 9 8.545 -3.270 -6.198 82 HB ILE 9 HB ILE 9 5.853 -4.440 -5.418 83 1HG1 ILE 9 HG12 ILE 9 8.033 -5.250 -7.368 84 2HG1 ILE 9 HG11 ILE 9 7.540 -6.116 -5.912 85 1HG2 ILE 9 HG21 ILE 9 6.717 -3.059 -7.974 86 2HG2 ILE 9 HG23 ILE 9 5.248 -4.022 -7.820 87 3HG2 ILE 9 HG22 ILE 9 5.438 -2.545 -6.876 88 1HD1 ILE 9 HD12 ILE 9 5.200 -6.233 -6.996 89 2HD1 ILE 9 HD11 ILE 9 6.013 -5.776 -8.494 90 3HD1 ILE 9 HD13 ILE 9 6.456 -7.271 -7.671 91 H ALA 10 HN ALA 10 6.565 -2.712 -3.397 92 HA ALA 10 HA ALA 10 5.690 -0.035 -4.247 93 1HB ALA 10 HB1 ALA 10 4.301 -1.535 -2.756 94 2HB ALA 10 HB3 ALA 10 5.530 -1.339 -1.508 95 3HB ALA 10 HB2 ALA 10 4.611 0.058 -2.067 96 H ALA 11 HN ALA 11 8.138 -1.594 -2.290 97 HA ALA 11 HA ALA 11 9.155 0.552 -0.808 98 1HB ALA 11 HB3 ALA 11 10.592 -1.751 -2.125 99 2HB ALA 11 HB2 ALA 11 11.381 -0.624 -1.021 100 3HB ALA 11 HB1 ALA 11 10.057 -1.639 -0.448 101 H LYS 12 HN LYS 12 9.475 -0.201 -4.217 102 HA LYS 12 HA LYS 12 11.559 1.808 -4.680 103 1HB LYS 12 HB2 LYS 12 10.464 -0.409 -6.102 104 2HB LYS 12 HB1 LYS 12 10.272 1.026 -7.110 105 1HG LYS 12 HG2 LYS 12 12.431 0.297 -7.670 106 2HG LYS 12 HG1 LYS 12 12.747 1.526 -6.445 107 1HD LYS 12 HD2 LYS 12 14.051 -0.231 -5.652 108 2HD LYS 12 HD1 LYS 12 12.542 -0.513 -4.783 109 1HE LYS 12 HE2 LYS 12 11.889 -2.254 -6.248 110 2HE LYS 12 HE1 LYS 12 13.064 -1.775 -7.474 111 1HZ LYS 12 HZ3 LYS 12 13.745 -2.835 -4.785 112 2HZ LYS 12 HZ2 LYS 12 13.763 -3.743 -6.221 113 3HZ LYS 12 HZ1 LYS 12 14.843 -2.446 -6.019 114 H TYR 13 HN TYR 13 8.073 1.737 -4.713 115 HA TYR 13 HA TYR 13 7.589 3.908 -6.497 116 1HB TYR 13 HB2 TYR 13 6.065 2.843 -4.101 117 2HB TYR 13 HB1 TYR 13 5.495 4.253 -4.975 118 HD1 TYR 13 HD1 TYR 13 7.177 1.191 -6.200 119 HD2 TYR 13 HD2 TYR 13 3.552 3.530 -6.264 120 HE1 TYR 13 HE1 TYR 13 6.242 -0.309 -7.918 121 HE2 TYR 13 HE2 TYR 13 2.656 2.038 -7.991 122 HH TYR 13 HH TYR 13 3.198 -0.619 -8.600 123 H LYS 14 HN LYS 14 9.164 5.463 -6.204 124 HA LYS 14 HA LYS 14 10.627 6.780 -4.687 125 1HB LYS 14 HB2 LYS 14 8.505 7.888 -6.232 126 2HB LYS 14 HB1 LYS 14 8.678 8.854 -4.766 127 1HG LYS 14 HG2 LYS 14 10.160 9.692 -6.549 128 2HG LYS 14 HG1 LYS 14 11.102 9.064 -5.197 129 1HD LYS 14 HD2 LYS 14 11.330 6.896 -6.413 130 2HD LYS 14 HD1 LYS 14 10.485 7.612 -7.786 131 1HE LYS 14 HE2 LYS 14 12.437 8.457 -8.515 132 2HE LYS 14 HE1 LYS 14 12.540 9.426 -7.045 133 1HZ LYS 14 HZ1 LYS 14 13.390 7.254 -6.001 134 2HZ LYS 14 HZ3 LYS 14 13.696 6.773 -7.599 135 3HZ LYS 14 HZ2 LYS 14 14.451 8.160 -6.971 136 H HIS 15 HN HIS 15 10.958 6.549 -2.553 137 HA HIS 15 HA HIS 15 9.113 6.151 -0.511 138 1HB HIS 15 HB2 HIS 15 10.825 7.017 1.039 139 2HB HIS 15 HB1 HIS 15 11.553 5.982 -0.187 140 HD1 HIS 15 HD1 HIS 15 12.982 8.407 1.373 141 HD2 HIS 15 HD2 HIS 15 11.543 8.478 -2.539 142 HE1 HIS 15 HE1 HIS 15 14.254 10.234 0.174 143 H SER 16 HN SER 16 9.832 9.144 -2.164 144 HA SER 16 HA SER 16 9.082 11.137 -0.412 145 1HB SER 16 HB2 SER 16 9.602 11.714 -2.691 146 2HB SER 16 HB1 SER 16 8.247 10.769 -3.299 147 HG SER 16 HG SER 16 7.077 12.481 -3.029 148 H VAL 17 HN VAL 17 6.578 9.926 -2.617 149 HA VAL 17 HA VAL 17 4.745 9.610 -0.291 150 HB VAL 17 HB VAL 17 4.265 11.261 -2.785 151 1HG1 VAL 17 HG13 VAL 17 2.335 9.939 -0.895 152 2HG1 VAL 17 HG12 VAL 17 1.918 11.479 -1.644 153 3HG1 VAL 17 HG11 VAL 17 2.253 10.072 -2.652 154 1HG2 VAL 17 HG23 VAL 17 4.784 11.777 0.047 155 2HG2 VAL 17 HG22 VAL 17 4.831 12.892 -1.319 156 3HG2 VAL 17 HG21 VAL 17 3.301 12.553 -0.510 157 H VAL 18 HN VAL 18 5.151 9.187 -3.804 158 HA VAL 18 HA VAL 18 3.203 7.319 -4.405 159 HB VAL 18 HB VAL 18 4.819 8.148 -6.056 160 1HG1 VAL 18 HG13 VAL 18 6.673 6.734 -4.205 161 2HG1 VAL 18 HG12 VAL 18 7.086 6.750 -5.916 162 3HG1 VAL 18 HG11 VAL 18 6.887 8.270 -5.039 163 1HG2 VAL 18 HG23 VAL 18 4.142 5.334 -5.689 164 2HG2 VAL 18 HG22 VAL 18 4.157 6.292 -7.169 165 3HG2 VAL 18 HG21 VAL 18 5.639 5.527 -6.598 166 H LYS 19 HN LYS 19 5.978 6.855 -2.319 167 HA LYS 19 HA LYS 19 5.977 3.969 -2.398 168 1HB LYS 19 HB2 LYS 19 7.964 4.787 -1.510 169 2HB LYS 19 HB1 LYS 19 7.156 6.073 -0.621 170 1HG LYS 19 HG2 LYS 19 6.887 4.764 1.221 171 2HG LYS 19 HG1 LYS 19 6.396 3.367 0.263 172 1HD LYS 19 HD2 LYS 19 8.470 2.484 0.314 173 2HD LYS 19 HD1 LYS 19 9.212 4.021 -0.130 174 1HE LYS 19 HE2 LYS 19 9.310 4.755 2.118 175 2HE LYS 19 HE1 LYS 19 8.151 3.538 2.651 176 1HZ LYS 19 HZ1 LYS 19 10.680 2.677 1.430 177 2HZ LYS 19 HZ3 LYS 19 10.679 3.191 3.046 178 3HZ LYS 19 HZ2 LYS 19 9.707 1.880 2.573 179 H LYS 20 HN LYS 20 5.286 5.744 0.600 180 HA LYS 20 HA LYS 20 3.659 3.854 1.792 181 1HB LYS 20 HB2 LYS 20 4.331 5.902 2.957 182 2HB LYS 20 HB1 LYS 20 3.296 6.865 1.901 183 1HG LYS 20 HG2 LYS 20 1.307 5.807 2.766 184 2HG LYS 20 HG1 LYS 20 2.265 4.633 3.669 185 1HD LYS 20 HD2 LYS 20 1.557 6.325 5.232 186 2HD LYS 20 HD1 LYS 20 3.278 6.577 4.936 187 1HE LYS 20 HE2 LYS 20 2.797 8.693 4.336 188 2HE LYS 20 HE1 LYS 20 1.945 8.045 2.935 189 1HZ LYS 20 HZ3 LYS 20 0.391 7.830 5.314 190 2HZ LYS 20 HZ2 LYS 20 0.837 9.441 5.013 191 3HZ LYS 20 HZ1 LYS 20 -0.004 8.555 3.833 192 H CYS 21 HN CYS 21 2.843 5.847 -0.930 193 HA CYS 21 HA CYS 21 -0.050 5.573 -0.771 194 1HB CYS 21 HB2 CYS 21 1.758 5.956 -3.157 195 2HB CYS 21 HB1 CYS 21 0.011 6.123 -3.097 196 H CYS 22 HN CYS 22 2.187 4.137 -3.160 197 HA CYS 22 HA CYS 22 0.548 2.175 -4.146 198 1HB CYS 22 HB2 CYS 22 2.460 2.240 -5.275 199 2HB CYS 22 HB1 CYS 22 3.464 2.475 -3.856 200 H TYR 23 HN TYR 23 2.473 2.092 -1.163 201 HA TYR 23 HA TYR 23 1.866 -0.596 -0.419 202 1HB TYR 23 HB2 TYR 23 2.565 1.889 1.140 203 2HB TYR 23 HB1 TYR 23 2.078 0.421 1.987 204 HD1 TYR 23 HD2 TYR 23 4.532 1.834 -0.393 205 HD2 TYR 23 HD1 TYR 23 3.551 -1.473 2.151 206 HE1 TYR 23 HE2 TYR 23 6.820 0.933 -0.697 207 HE2 TYR 23 HE1 TYR 23 5.840 -2.387 1.843 208 HH TYR 23 HH TYR 23 8.364 -0.712 0.838 209 H ASP 24 HN ASP 24 0.285 2.502 0.280 210 HA ASP 24 HA ASP 24 -1.927 1.681 1.760 211 1HB ASP 24 HB2 ASP 24 -1.551 3.869 -0.316 212 2HB ASP 24 HB1 ASP 24 -3.150 3.559 0.383 213 H GLY 25 HN GLY 25 -1.495 1.604 -1.749 214 1HA GLY 25 HA2 GLY 25 -4.049 0.724 -2.534 215 2HA GLY 25 HA1 GLY 25 -2.553 0.367 -3.400 216 H ALA 26 HN ALA 26 -1.143 -1.356 -2.150 217 HA ALA 26 HA ALA 26 -2.925 -3.702 -1.866 218 1HB ALA 26 HB3 ALA 26 -0.321 -3.307 -2.830 219 2HB ALA 26 HB2 ALA 26 -0.121 -4.238 -1.345 220 3HB ALA 26 HB1 ALA 26 -1.151 -4.852 -2.637 221 H SER 27 HN SER 27 -2.335 -1.433 0.283 222 HA SER 27 HA SER 27 -1.542 -3.223 2.502 223 1HB SER 27 HB2 SER 27 -1.582 -0.282 2.138 224 2HB SER 27 HB1 SER 27 -1.572 -0.954 3.752 225 HG SER 27 HG SER 27 0.227 -1.953 1.857 226 H VAL 28 HN VAL 28 -3.967 -0.676 1.916 227 HA VAL 28 HA VAL 28 -5.526 -1.327 4.221 228 HB VAL 28 HB VAL 28 -6.970 -0.258 1.841 229 1HG1 VAL 28 HG13 VAL 28 -6.804 0.190 4.804 230 2HG1 VAL 28 HG12 VAL 28 -7.418 1.490 3.783 231 3HG1 VAL 28 HG11 VAL 28 -8.226 -0.075 3.797 232 1HG2 VAL 28 HG23 VAL 28 -4.424 0.846 2.879 233 2HG2 VAL 28 HG22 VAL 28 -5.220 1.122 1.331 234 3HG2 VAL 28 HG21 VAL 28 -5.747 2.005 2.762 235 H ASN 29 HN ASN 29 -8.079 -1.880 3.597 236 HA ASN 29 HA ASN 29 -8.310 -4.608 3.391 237 1HB ASN 29 HB2 ASN 29 -10.099 -2.435 3.264 238 2HB ASN 29 HB1 ASN 29 -10.465 -3.435 1.859 239 1HD2 ASN 29 HD22 ASN 29 -12.006 -5.941 3.784 240 2HD2 ASN 29 HD21 ASN 29 -11.715 -5.280 2.248 241 H ASN 30 HN ASN 30 -9.201 -5.939 1.538 242 HA ASN 30 HA ASN 30 -7.437 -6.244 -0.555 243 1HB ASN 30 HB2 ASN 30 -10.411 -6.747 -0.431 244 2HB ASN 30 HB1 ASN 30 -9.471 -7.154 -1.867 245 1HD2 ASN 30 HD22 ASN 30 -7.428 -9.551 0.078 246 2HD2 ASN 30 HD21 ASN 30 -7.145 -8.222 -0.940 247 H ASP 31 HN ASP 31 -9.926 -3.793 -0.262 248 HA ASP 31 HA ASP 31 -8.749 -2.347 -2.511 249 1HB ASP 31 HB2 ASP 31 -11.105 -4.002 -2.896 250 2HB ASP 31 HB1 ASP 31 -11.456 -2.306 -3.233 251 H GLU 32 HN GLU 32 -9.373 -1.961 0.407 252 HA GLU 32 HA GLU 32 -11.545 -0.236 0.846 253 1HB GLU 32 HB2 GLU 32 -10.379 -0.744 2.793 254 2HB GLU 32 HB1 GLU 32 -8.808 -0.446 2.058 255 1HG GLU 32 HG2 GLU 32 -8.880 1.791 2.522 256 2HG GLU 32 HG1 GLU 32 -10.611 1.902 2.201 257 H THR 33 HN THR 33 -8.359 1.285 0.819 258 HA THR 33 HA THR 33 -9.377 3.669 -0.440 259 HB THR 33 HB THR 33 -7.023 4.383 -0.423 260 HG1 THR 33 HG1 THR 33 -6.641 1.640 0.073 261 1HG2 THR 33 HG22 THR 33 -8.531 4.039 1.729 262 2HG2 THR 33 HG21 THR 33 -7.294 2.844 2.121 263 3HG2 THR 33 HG23 THR 33 -6.843 4.531 1.877 264 H CYS 34 HN CYS 34 -7.611 0.830 -1.544 265 HA CYS 34 HA CYS 34 -6.711 1.413 -4.088 266 1HB CYS 34 HB2 CYS 34 -7.015 -0.869 -2.852 267 2HB CYS 34 HB1 CYS 34 -8.569 -0.924 -3.683 268 H GLU 35 HN GLU 35 -10.072 1.163 -3.044 269 HA GLU 35 HA GLU 35 -11.058 1.554 -5.802 270 1HB GLU 35 HB2 GLU 35 -12.105 0.033 -3.958 271 2HB GLU 35 HB1 GLU 35 -12.823 1.534 -3.371 272 1HG GLU 35 HG2 GLU 35 -13.830 1.942 -5.571 273 2HG GLU 35 HG1 GLU 35 -13.075 0.478 -6.204 274 H GLN 36 HN GLN 36 -12.025 3.177 -2.752 275 HA GLN 36 HA GLN 36 -13.209 5.422 -3.825 276 1HB GLN 36 HB2 GLN 36 -11.361 5.319 -1.425 277 2HB GLN 36 HB1 GLN 36 -12.443 6.663 -1.794 278 1HG GLN 36 HG2 GLN 36 -14.126 4.485 -1.977 279 2HG GLN 36 HG1 GLN 36 -13.060 4.030 -0.647 280 1HE2 GLN 36 HE22 GLN 36 -15.979 6.303 0.438 281 2HE2 GLN 36 HE21 GLN 36 -15.972 4.995 -0.644 282 H ARG 37 HN ARG 37 -9.826 4.658 -3.886 283 HA ARG 37 HA ARG 37 -9.166 7.366 -4.886 284 1HB ARG 37 HB2 ARG 37 -7.490 5.049 -3.934 285 2HB ARG 37 HB1 ARG 37 -6.784 6.463 -4.693 286 1HG ARG 37 HG2 ARG 37 -8.284 6.279 -2.079 287 2HG ARG 37 HG1 ARG 37 -6.669 6.920 -2.368 288 1HD ARG 37 HD2 ARG 37 -8.101 8.569 -3.966 289 2HD ARG 37 HD1 ARG 37 -9.314 8.216 -2.738 290 HE ARG 37 HE ARG 37 -7.075 8.843 -1.255 291 1HH1 ARG 37 HH21 ARG 37 -8.800 10.309 -3.864 292 2HH1 ARG 37 HH22 ARG 37 -8.440 11.926 -3.363 293 1HH2 ARG 37 HH12 ARG 37 -6.600 10.949 -0.594 294 2HH2 ARG 37 HH11 ARG 37 -7.196 12.288 -1.515 295 H ALA 38 HN ALA 38 -8.868 3.906 -5.864 296 HA ALA 38 HA ALA 38 -7.815 4.707 -8.474 297 1HB ALA 38 HB2 ALA 38 -7.368 2.483 -7.261 298 2HB ALA 38 HB1 ALA 38 -8.972 2.000 -7.813 299 3HB ALA 38 HB3 ALA 38 -7.718 2.397 -8.987 300 H ALA 39 HN ALA 39 -10.779 5.168 -7.249 301 HA ALA 39 HA ALA 39 -12.036 4.859 -9.933 302 1HB ALA 39 HB1 ALA 39 -12.733 2.971 -8.417 303 2HB ALA 39 HB3 ALA 39 -13.441 4.173 -7.338 304 3HB ALA 39 HB2 ALA 39 -14.072 3.975 -8.973 305 H ARG 40 HN ARG 40 -12.149 6.382 -6.723 306 HA ARG 40 HA ARG 40 -13.631 8.657 -7.985 307 1HB ARG 40 HB2 ARG 40 -13.888 7.310 -5.349 308 2HB ARG 40 HB1 ARG 40 -14.015 9.070 -5.335 309 1HG ARG 40 HG2 ARG 40 -15.515 8.046 -7.562 310 2HG ARG 40 HG1 ARG 40 -16.009 7.196 -6.097 311 1HD ARG 40 HD2 ARG 40 -15.783 10.211 -6.279 312 2HD ARG 40 HD1 ARG 40 -17.288 9.331 -6.548 313 HE ARG 40 HE ARG 40 -16.425 8.414 -4.083 314 1HH1 ARG 40 HH21 ARG 40 -16.984 11.496 -5.541 315 2HH1 ARG 40 HH22 ARG 40 -17.436 12.261 -4.055 316 1HH2 ARG 40 HH12 ARG 40 -17.013 9.401 -2.141 317 2HH2 ARG 40 HH11 ARG 40 -17.454 11.076 -2.133 318 H ILE 41 HN ILE 41 -11.782 9.843 -8.606 319 HA ILE 41 HA ILE 41 -9.994 10.692 -6.361 320 HB ILE 41 HB ILE 41 -9.489 10.336 -9.319 321 1HG1 ILE 41 HG12 ILE 41 -7.564 9.511 -7.225 322 2HG1 ILE 41 HG11 ILE 41 -9.110 8.663 -7.212 323 1HG2 ILE 41 HG21 ILE 41 -7.893 11.936 -7.307 324 2HG2 ILE 41 HG23 ILE 41 -7.229 11.359 -8.836 325 3HG2 ILE 41 HG22 ILE 41 -8.569 12.505 -8.833 326 1HD1 ILE 41 HD12 ILE 41 -7.463 9.022 -9.725 327 2HD1 ILE 41 HD11 ILE 41 -7.312 7.613 -8.677 328 3HD1 ILE 41 HD13 ILE 41 -8.842 7.951 -9.486 329 H SER 42 HN SER 42 -10.837 12.631 -5.656 330 HA SER 42 HA SER 42 -12.374 14.459 -7.155 331 1HB SER 42 HB2 SER 42 -11.088 16.129 -5.438 332 2HB SER 42 HB1 SER 42 -12.437 15.101 -4.962 333 HG SER 42 HG SER 42 -9.695 14.820 -4.499 334 H LEU 43 HN LEU 43 -8.912 14.899 -6.321 335 HA LEU 43 HA LEU 43 -8.607 16.274 -8.961 336 1HB LEU 43 HB2 LEU 43 -6.579 17.359 -7.617 337 2HB LEU 43 HB1 LEU 43 -8.204 18.038 -7.523 338 HG LEU 43 HG LEU 43 -8.597 16.579 -5.494 339 1HD1 LEU 43 HD13 LEU 43 -6.006 15.601 -6.315 340 2HD1 LEU 43 HD12 LEU 43 -5.912 16.241 -4.675 341 3HD1 LEU 43 HD11 LEU 43 -7.077 14.976 -5.062 342 1HD2 LEU 43 HD22 LEU 43 -7.441 19.060 -5.716 343 2HD2 LEU 43 HD21 LEU 43 -7.922 18.319 -4.189 344 3HD2 LEU 43 HD23 LEU 43 -6.251 18.203 -4.738 345 H GLY 44 HN GLY 44 -7.419 13.854 -6.772 346 1HA GLY 44 HA2 GLY 44 -6.020 12.026 -7.415 347 2HA GLY 44 HA1 GLY 44 -5.559 12.918 -8.863 348 HA PRO 45 HA PRO 45 -3.033 14.708 -4.970 349 1HB PRO 45 HB2 PRO 45 -2.733 12.369 -3.343 350 2HB PRO 45 HB1 PRO 45 -3.479 13.910 -2.905 351 1HG PRO 45 HG2 PRO 45 -4.757 11.388 -3.416 352 2HG PRO 45 HG1 PRO 45 -5.491 12.909 -2.900 353 1HD PRO 45 HD2 PRO 45 -5.760 11.656 -5.419 354 2HD PRO 45 HD1 PRO 45 -6.332 13.264 -4.961 355 H ARG 46 HN ARG 46 -2.545 11.170 -4.969 356 HA ARG 46 HA ARG 46 -0.610 11.077 -7.046 357 1HB ARG 46 HB2 ARG 46 0.506 12.575 -5.203 358 2HB ARG 46 HB1 ARG 46 0.780 11.039 -4.381 359 1HG ARG 46 HG2 ARG 46 2.685 11.027 -5.646 360 2HG ARG 46 HG1 ARG 46 1.600 10.381 -6.878 361 1HD ARG 46 HD2 ARG 46 2.527 12.139 -8.062 362 2HD ARG 46 HD1 ARG 46 1.150 12.965 -7.332 363 HE ARG 46 HE ARG 46 3.169 13.278 -5.463 364 1HH1 ARG 46 HH21 ARG 46 2.791 13.860 -8.847 365 2HH1 ARG 46 HH22 ARG 46 3.875 15.211 -8.867 366 1HH2 ARG 46 HH12 ARG 46 4.583 15.039 -5.479 367 2HH2 ARG 46 HH11 ARG 46 4.886 15.878 -6.964 368 H CYS 47 HN CYS 47 -1.468 9.810 -3.820 369 HA CYS 47 HA CYS 47 -0.358 7.232 -4.248 370 1HB CYS 47 HB2 CYS 47 -2.799 7.749 -2.531 371 2HB CYS 47 HB1 CYS 47 -1.651 6.448 -2.359 372 H ILE 48 HN ILE 48 -3.387 8.632 -5.344 373 HA ILE 48 HA ILE 48 -4.569 6.096 -5.927 374 HB ILE 48 HB ILE 48 -6.185 7.284 -7.228 375 1HG1 ILE 48 HG12 ILE 48 -4.485 8.613 -8.575 376 2HG1 ILE 48 HG11 ILE 48 -5.924 9.500 -8.104 377 1HG2 ILE 48 HG23 ILE 48 -5.402 8.153 -4.645 378 2HG2 ILE 48 HG22 ILE 48 -5.919 9.578 -5.548 379 3HG2 ILE 48 HG21 ILE 48 -7.006 8.203 -5.372 380 1HD1 ILE 48 HD12 ILE 48 -4.613 10.296 -6.065 381 2HD1 ILE 48 HD11 ILE 48 -3.175 9.661 -6.862 382 3HD1 ILE 48 HD13 ILE 48 -4.105 10.951 -7.620 383 H LYS 49 HN LYS 49 -2.711 8.343 -8.057 384 HA LYS 49 HA LYS 49 -2.767 6.578 -10.309 385 1HB LYS 49 HB2 LYS 49 -1.238 8.974 -9.490 386 2HB LYS 49 HB1 LYS 49 -0.407 7.912 -10.628 387 1HG LYS 49 HG2 LYS 49 -2.322 7.994 -12.151 388 2HG LYS 49 HG1 LYS 49 -3.216 8.991 -11.002 389 1HD LYS 49 HD2 LYS 49 -1.448 10.733 -11.177 390 2HD LYS 49 HD1 LYS 49 -0.628 9.748 -12.390 391 1HE LYS 49 HE2 LYS 49 -1.950 10.627 -13.983 392 2HE LYS 49 HE1 LYS 49 -3.364 9.963 -13.165 393 1HZ LYS 49 HZ2 LYS 49 -3.141 11.980 -11.645 394 2HZ LYS 49 HZ1 LYS 49 -2.136 12.629 -12.850 395 3HZ LYS 49 HZ3 LYS 49 -3.746 12.240 -13.210 396 H ALA 50 HN ALA 50 -0.012 7.221 -8.105 397 HA ALA 50 HA ALA 50 1.644 5.095 -8.933 398 1HB ALA 50 HB3 ALA 50 1.227 6.108 -6.108 399 2HB ALA 50 HB2 ALA 50 2.590 5.133 -6.652 400 3HB ALA 50 HB1 ALA 50 2.375 6.769 -7.273 401 H PHE 51 HN PHE 51 -0.525 5.126 -6.184 402 HA PHE 51 HA PHE 51 -0.226 2.334 -5.807 403 1HB PHE 51 HB2 PHE 51 -1.065 2.800 -3.833 404 2HB PHE 51 HB1 PHE 51 -1.079 4.470 -4.286 405 HD1 PHE 51 HD1 PHE 51 -3.469 4.212 -6.278 406 HD2 PHE 51 HD2 PHE 51 -2.824 2.850 -2.291 407 HE1 PHE 51 HE1 PHE 51 -5.911 4.165 -5.895 408 HE2 PHE 51 HE2 PHE 51 -5.257 2.806 -1.900 409 HZ PHE 51 HZ PHE 51 -6.806 3.454 -3.709 410 H THR 52 HN THR 52 -2.058 3.938 -8.130 411 HA THR 52 HA THR 52 -4.343 2.081 -8.097 412 HB THR 52 HB THR 52 -3.490 4.352 -9.881 413 HG1 THR 52 HG1 THR 52 -5.171 4.081 -7.991 414 1HG2 THR 52 HG23 THR 52 -4.974 1.930 -10.747 415 2HG2 THR 52 HG22 THR 52 -5.686 3.478 -11.203 416 3HG2 THR 52 HG21 THR 52 -4.042 3.082 -11.705 417 H GLU 53 HN GLU 53 -1.353 2.619 -9.936 418 HA GLU 53 HA GLU 53 -1.807 0.204 -11.552 419 1HB GLU 53 HB2 GLU 53 0.909 1.436 -11.185 420 2HB GLU 53 HB1 GLU 53 0.190 0.740 -12.639 421 1HG GLU 53 HG2 GLU 53 -1.530 2.771 -12.256 422 2HG GLU 53 HG1 GLU 53 -0.099 3.479 -11.508 423 H CYS 54 HN CYS 54 -0.136 1.108 -8.611 424 HA CYS 54 HA CYS 54 1.267 -1.418 -8.292 425 1HB CYS 54 HB2 CYS 54 2.263 0.377 -7.185 426 2HB CYS 54 HB1 CYS 54 0.728 1.005 -6.573 427 H CYS 55 HN CYS 55 -1.779 -0.075 -7.120 428 HA CYS 55 HA CYS 55 -2.330 -2.344 -5.382 429 1HB CYS 55 HB2 CYS 55 -3.272 -0.026 -5.017 430 2HB CYS 55 HB1 CYS 55 -4.327 -0.283 -6.401 431 H VAL 56 HN VAL 56 -3.378 -1.275 -8.607 432 HA VAL 56 HA VAL 56 -5.216 -3.416 -9.070 433 HB VAL 56 HB VAL 56 -4.907 -2.902 -11.478 434 1HG1 VAL 56 HG12 VAL 56 -5.442 -0.861 -9.400 435 2HG1 VAL 56 HG11 VAL 56 -5.138 -0.230 -11.019 436 3HG1 VAL 56 HG13 VAL 56 -6.446 -1.383 -10.753 437 1HG2 VAL 56 HG22 VAL 56 -2.544 -1.399 -10.378 438 2HG2 VAL 56 HG21 VAL 56 -2.631 -2.453 -11.790 439 3HG2 VAL 56 HG23 VAL 56 -3.332 -0.836 -11.852 440 H VAL 57 HN VAL 57 -1.746 -3.046 -9.980 441 HA VAL 57 HA VAL 57 -1.468 -5.676 -11.050 442 HB VAL 57 HB VAL 57 0.367 -4.147 -11.356 443 1HG1 VAL 57 HG11 VAL 57 -0.277 -3.238 -8.841 444 2HG1 VAL 57 HG13 VAL 57 1.242 -4.084 -8.543 445 3HG1 VAL 57 HG12 VAL 57 1.173 -2.780 -9.729 446 1HG2 VAL 57 HG22 VAL 57 0.661 -6.726 -10.259 447 2HG2 VAL 57 HG21 VAL 57 1.873 -5.829 -11.172 448 3HG2 VAL 57 HG23 VAL 57 1.842 -5.726 -9.411 449 H ALA 58 HN ALA 58 -1.130 -4.442 -7.723 450 HA ALA 58 HA ALA 58 -0.306 -6.789 -6.440 451 1HB ALA 58 HB2 ALA 58 -1.980 -4.449 -5.648 452 2HB ALA 58 HB1 ALA 58 -2.038 -5.868 -4.603 453 3HB ALA 58 HB3 ALA 58 -0.498 -5.067 -4.916 454 H SER 59 HN SER 59 -3.706 -5.811 -6.255 455 HA SER 59 HA SER 59 -4.872 -8.246 -5.701 456 1HB SER 59 HB2 SER 59 -6.403 -6.969 -7.804 457 2HB SER 59 HB1 SER 59 -6.786 -7.130 -6.092 458 HG SER 59 HG SER 59 -6.213 -4.940 -7.272 459 H GLN 60 HN GLN 60 -4.795 -7.048 -9.042 460 HA GLN 60 HA GLN 60 -5.519 -9.369 -10.346 461 1HB GLN 60 HB2 GLN 60 -3.938 -6.980 -11.089 462 2HB GLN 60 HB1 GLN 60 -3.767 -8.375 -12.155 463 1HG GLN 60 HG2 GLN 60 -6.236 -8.512 -12.350 464 2HG GLN 60 HG1 GLN 60 -6.383 -7.083 -11.329 465 1HE2 GLN 60 HE22 GLN 60 -6.089 -4.972 -14.118 466 2HE2 GLN 60 HE21 GLN 60 -6.796 -5.282 -12.607 467 H LEU 61 HN LEU 61 -2.071 -8.421 -10.446 468 HA LEU 61 HA LEU 61 -1.228 -11.087 -11.058 469 1HB LEU 61 HB2 LEU 61 0.512 -9.871 -11.784 470 2HB LEU 61 HB1 LEU 61 -0.084 -8.455 -10.933 471 HG LEU 61 HG LEU 61 0.996 -9.627 -8.838 472 1HD1 LEU 61 HD11 LEU 61 1.577 -11.527 -10.731 473 2HD1 LEU 61 HD13 LEU 61 3.068 -10.586 -10.689 474 3HD1 LEU 61 HD12 LEU 61 2.452 -11.325 -9.212 475 1HD2 LEU 61 HD22 LEU 61 2.073 -7.895 -10.953 476 2HD2 LEU 61 HD21 LEU 61 2.106 -7.682 -9.202 477 3HD2 LEU 61 HD23 LEU 61 3.315 -8.698 -9.990 478 H ARG 62 HN ARG 62 -2.409 -10.119 -8.138 479 HA ARG 62 HA ARG 62 -0.472 -11.858 -6.693 480 1HB ARG 62 HB2 ARG 62 -2.530 -9.892 -5.657 481 2HB ARG 62 HB1 ARG 62 -1.675 -11.023 -4.615 482 1HG ARG 62 HG2 ARG 62 0.474 -10.085 -5.259 483 2HG ARG 62 HG1 ARG 62 -0.304 -9.016 -6.427 484 1HD ARG 62 HD2 ARG 62 0.238 -7.855 -4.286 485 2HD ARG 62 HD1 ARG 62 -1.490 -7.858 -4.633 486 HE ARG 62 HE ARG 62 -1.111 -10.125 -3.076 487 1HH1 ARG 62 HH21 ARG 62 -0.387 -6.757 -2.830 488 2HH1 ARG 62 HH22 ARG 62 -0.514 -6.726 -1.104 489 1HH2 ARG 62 HH12 ARG 62 -1.278 -10.095 -0.826 490 2HH2 ARG 62 HH11 ARG 62 -1.017 -8.612 0.029 491 H ALA 63 HN ALA 63 -3.740 -11.656 -7.819 492 HA ALA 63 HA ALA 63 -4.599 -13.976 -6.210 493 1HB ALA 63 HB2 ALA 63 -6.198 -12.140 -6.650 494 2HB ALA 63 HB1 ALA 63 -6.040 -12.422 -8.383 495 3HB ALA 63 HB3 ALA 63 -6.766 -13.655 -7.351 496 H ASN 64 HN ASN 64 -4.173 -13.142 -9.653 497 HA ASN 64 HA ASN 64 -4.102 -16.062 -10.255 498 1HB ASN 64 HB2 ASN 64 -5.427 -13.934 -11.528 499 2HB ASN 64 HB1 ASN 64 -4.072 -14.332 -12.586 500 1HD2 ASN 64 HD22 ASN 64 -5.910 -17.041 -13.877 501 2HD2 ASN 64 HD21 ASN 64 -4.950 -15.676 -14.187 502 H ILE 65 HN ILE 65 -1.953 -14.166 -9.173 503 HA ILE 65 HA ILE 65 0.099 -13.360 -10.694 504 HB ILE 65 HB ILE 65 1.018 -15.518 -8.871 505 1HG1 ILE 65 HG12 ILE 65 -0.799 -13.257 -8.021 506 2HG1 ILE 65 HG11 ILE 65 -0.897 -14.963 -7.584 507 1HG2 ILE 65 HG22 ILE 65 1.986 -13.133 -9.974 508 2HG2 ILE 65 HG21 ILE 65 1.751 -12.771 -8.263 509 3HG2 ILE 65 HG23 ILE 65 2.779 -14.116 -8.750 510 1HD1 ILE 65 HD11 ILE 65 1.346 -13.102 -6.741 511 2HD1 ILE 65 HD13 ILE 65 -0.008 -13.575 -5.716 512 3HD1 ILE 65 HD12 ILE 65 1.153 -14.787 -6.258 513 H SER 66 HN SER 66 0.367 -14.116 -12.771 514 HA SER 66 HA SER 66 1.891 -16.533 -13.160 515 1HB SER 66 HB2 SER 66 -0.332 -17.571 -12.863 516 2HB SER 66 HB1 SER 66 -0.983 -16.544 -14.136 517 HG SER 66 HG SER 66 1.292 -18.124 -14.620 518 H HIS 67 HN HIS 67 -0.199 -14.055 -14.590 519 HA HIS 67 HA HIS 67 1.198 -14.212 -17.171 520 1HB HIS 67 HB2 HIS 67 -1.184 -12.849 -16.083 521 2HB HIS 67 HB1 HIS 67 -0.275 -11.900 -17.261 522 HD1 HIS 67 HD1 HIS 67 -2.483 -12.359 -18.794 523 HD2 HIS 67 HD2 HIS 67 -0.055 -15.659 -18.018 524 HE1 HIS 67 HE1 HIS 67 -3.113 -14.129 -20.493 525 H LYS 68 HN LYS 68 1.461 -11.518 -17.840 526 HA LYS 68 HA LYS 68 3.931 -10.855 -16.464 527 1HB LYS 68 HB2 LYS 68 2.336 -9.712 -18.715 528 2HB LYS 68 HB1 LYS 68 3.464 -8.633 -17.891 529 1HG LYS 68 HG2 LYS 68 4.712 -11.199 -18.357 530 2HG LYS 68 HG1 LYS 68 4.082 -10.548 -19.871 531 1HD LYS 68 HD2 LYS 68 5.495 -8.620 -18.105 532 2HD LYS 68 HD1 LYS 68 6.497 -9.854 -18.872 533 1HE LYS 68 HE2 LYS 68 6.191 -8.988 -20.959 534 2HE LYS 68 HE1 LYS 68 4.505 -8.576 -20.647 535 1HZ LYS 68 HZ3 LYS 68 5.706 -6.870 -19.023 536 2HZ LYS 68 HZ2 LYS 68 6.916 -7.005 -20.208 537 3HZ LYS 68 HZ1 LYS 68 5.352 -6.501 -20.640 538 H ASP 69 HN ASP 69 4.307 -8.950 -15.179 539 HA ASP 69 HA ASP 69 2.069 -8.285 -13.428 540 1HB ASP 69 HB2 ASP 69 3.741 -6.842 -12.278 541 2HB ASP 69 HB1 ASP 69 4.329 -8.490 -12.504 542 H MET 70 HN MET 70 2.515 -5.568 -12.903 543 HA MET 70 HA MET 70 2.047 -4.218 -15.515 544 1HB MET 70 HB2 MET 70 -0.119 -4.900 -14.225 545 2HB MET 70 HB1 MET 70 0.308 -3.574 -13.142 546 1HG MET 70 HG2 MET 70 -1.117 -2.611 -14.795 547 2HG MET 70 HG1 MET 70 0.519 -2.123 -15.241 548 1HE MET 70 HE1 MET 70 1.649 -2.497 -17.108 549 2HE MET 70 HE3 MET 70 1.013 -3.151 -18.625 550 3HE MET 70 HE2 MET 70 0.260 -1.740 -17.885 551 H CYS 71 HN CYS 71 1.812 -3.222 -12.082 552 HA CYS 71 HA CYS 71 4.067 -1.336 -12.612 553 1HB CYS 71 HB2 CYS 71 1.309 -0.761 -11.840 554 2HB CYS 71 HB1 CYS 71 2.471 -0.073 -10.697 555 1H CYS 72 HN3 CYS 72 3.625 4.267 -12.270 556 2H CYS 72 HN2 CYS 72 2.214 3.323 -12.272 557 3H CYS 72 HN1 CYS 72 2.163 4.929 -11.721 558 HA CYS 72 HA CYS 72 2.133 3.541 -9.812 559 1HB CYS 72 HB2 CYS 72 4.520 2.216 -9.705 560 2HB CYS 72 HB1 CYS 72 2.970 1.489 -10.085 561 H LEU 73 HN LEU 73 5.580 3.591 -10.463 562 HA LEU 73 HA LEU 73 6.450 4.923 -8.251 563 1HB LEU 73 HB2 LEU 73 7.965 4.051 -9.993 564 2HB LEU 73 HB1 LEU 73 7.512 5.388 -11.053 565 HG LEU 73 HG LEU 73 8.433 6.141 -8.333 566 1HD1 LEU 73 HD12 LEU 73 10.250 4.938 -10.439 567 2HD1 LEU 73 HD11 LEU 73 10.835 5.966 -9.130 568 3HD1 LEU 73 HD13 LEU 73 10.064 4.423 -8.762 569 1HD2 LEU 73 HD23 LEU 73 7.811 7.788 -10.080 570 2HD2 LEU 73 HD22 LEU 73 9.509 7.942 -9.627 571 3HD2 LEU 73 HD21 LEU 73 9.066 7.135 -11.131 572 H GLY 74 HN GLY 74 6.955 7.161 -7.740 573 1HA GLY 74 HA2 GLY 74 5.442 9.172 -9.345 574 2HA GLY 74 HA1 GLY 74 5.244 9.108 -7.594 575 1HN DAR 75 HN ARG 75 6.106 11.472 -8.482 576 HA DAR 75 HA ARG 75 8.904 11.794 -8.902 577 1HB DAR 75 HB1 ARG 75 8.654 10.789 -6.456 578 2HB DAR 75 HB2 ARG 75 8.271 12.462 -6.052 579 1HG DAR 75 HG1 ARG 75 10.389 13.141 -7.247 580 2HG DAR 75 HG2 ARG 75 10.787 11.429 -7.390 581 1HD DAR 75 HD1 ARG 75 11.708 11.551 -5.336 582 2HD DAR 75 HD2 ARG 75 10.083 11.802 -4.699 583 HNE DAR 75 HE ARG 75 10.788 13.946 -4.147 584 1HH1 DAR 75 HH11 ARG 75 11.580 15.989 -4.622 585 2HH1 DAR 75 HH12 ARG 75 12.530 16.231 -6.051 586 1HH2 DAR 75 HH21 ARG 75 12.376 12.924 -7.054 587 2HH2 DAR 75 HH22 ARG 75 12.965 14.507 -7.425 No H/Q in entry = 587 Start of MODEL 19 1 1H MET 1 HN1 MET 1 -1.194 -16.070 -2.583 2 2H MET 1 HN3 MET 1 -1.805 -17.480 -3.302 3 3H MET 1 HN2 MET 1 -2.866 -16.365 -2.582 4 HA MET 1 HA MET 1 -2.783 -17.780 -0.854 5 1HB MET 1 HB2 MET 1 -0.990 -19.073 -2.464 6 2HB MET 1 HB1 MET 1 0.038 -18.627 -1.102 7 1HG MET 1 HG2 MET 1 -0.905 -20.769 -0.569 8 2HG MET 1 HG1 MET 1 -1.759 -19.584 0.421 9 1HE MET 1 HE2 MET 1 -1.395 -21.314 -2.699 10 2HE MET 1 HE1 MET 1 -2.886 -22.232 -2.900 11 3HE MET 1 HE3 MET 1 -2.707 -20.649 -3.670 12 H LEU 2 HN LEU 2 0.369 -16.203 -1.475 13 HA LEU 2 HA LEU 2 0.259 -15.176 1.334 14 1HB LEU 2 HB2 LEU 2 2.517 -16.073 -0.420 15 2HB LEU 2 HB1 LEU 2 2.825 -14.796 0.758 16 HG LEU 2 HG LEU 2 1.455 -16.533 2.316 17 1HD1 LEU 2 HD11 LEU 2 1.613 -18.043 0.107 18 2HD1 LEU 2 HD13 LEU 2 3.182 -18.443 0.807 19 3HD1 LEU 2 HD12 LEU 2 1.705 -18.745 1.722 20 1HD2 LEU 2 HD21 LEU 2 4.407 -16.432 1.652 21 2HD2 LEU 2 HD23 LEU 2 3.570 -15.642 2.989 22 3HD2 LEU 2 HD22 LEU 2 3.773 -17.394 2.987 23 H GLN 3 HN GLN 3 1.125 -12.958 1.617 24 HA GLN 3 HA GLN 3 0.531 -11.291 -0.787 25 1HB GLN 3 HB2 GLN 3 0.122 -9.461 0.815 26 2HB GLN 3 HB1 GLN 3 -0.883 -10.859 1.195 27 1HG GLN 3 HG2 GLN 3 0.310 -11.378 3.105 28 2HG GLN 3 HG1 GLN 3 1.807 -10.680 2.484 29 1HE2 GLN 3 HE22 GLN 3 -0.834 -7.734 3.483 30 2HE2 GLN 3 HE21 GLN 3 -1.248 -8.902 2.323 31 H LYS 4 HN LYS 4 3.143 -12.655 0.081 32 HA LYS 4 HA LYS 4 4.855 -10.265 0.496 33 1HB LYS 4 HB2 LYS 4 5.132 -13.176 0.944 34 2HB LYS 4 HB1 LYS 4 6.585 -12.371 0.351 35 1HG LYS 4 HG2 LYS 4 6.946 -11.397 2.350 36 2HG LYS 4 HG1 LYS 4 5.294 -10.779 2.403 37 1HD LYS 4 HD2 LYS 4 4.700 -12.359 3.891 38 2HD LYS 4 HD1 LYS 4 5.279 -13.635 2.820 39 1HE LYS 4 HE2 LYS 4 7.595 -13.235 3.641 40 2HE LYS 4 HE1 LYS 4 6.965 -12.029 4.763 41 1HZ LYS 4 HZ2 LYS 4 5.721 -14.671 4.784 42 2HZ LYS 4 HZ1 LYS 4 7.279 -14.540 5.450 43 3HZ LYS 4 HZ3 LYS 4 6.011 -13.596 6.068 44 H LYS 5 HN LYS 5 4.621 -9.344 -1.626 45 HA LYS 5 HA LYS 5 6.505 -10.406 -3.569 46 1HB LYS 5 HB2 LYS 5 3.708 -11.136 -3.781 47 2HB LYS 5 HB1 LYS 5 4.200 -10.168 -5.171 48 1HG LYS 5 HG2 LYS 5 6.087 -12.297 -4.293 49 2HG LYS 5 HG1 LYS 5 4.591 -12.830 -5.061 50 1HD LYS 5 HD2 LYS 5 5.259 -12.110 -7.097 51 2HD LYS 5 HD1 LYS 5 5.831 -10.572 -6.452 52 1HE LYS 5 HE2 LYS 5 7.817 -11.580 -7.192 53 2HE LYS 5 HE1 LYS 5 7.794 -11.989 -5.477 54 1HZ LYS 5 HZ1 LYS 5 6.350 -13.976 -6.653 55 2HZ LYS 5 HZ3 LYS 5 7.606 -13.704 -7.759 56 3HZ LYS 5 HZ2 LYS 5 7.967 -14.088 -6.144 57 H ILE 6 HN ILE 6 3.614 -8.293 -3.356 58 HA ILE 6 HA ILE 6 4.942 -6.286 -5.032 59 HB ILE 6 HB ILE 6 2.255 -6.924 -4.305 60 1HG1 ILE 6 HG12 ILE 6 3.401 -6.278 -6.527 61 2HG1 ILE 6 HG11 ILE 6 1.755 -5.705 -6.259 62 1HG2 ILE 6 HG22 ILE 6 2.536 -5.177 -2.522 63 2HG2 ILE 6 HG21 ILE 6 2.904 -4.007 -3.788 64 3HG2 ILE 6 HG23 ILE 6 1.314 -4.767 -3.725 65 1HD1 ILE 6 HD11 ILE 6 3.969 -3.945 -5.315 66 2HD1 ILE 6 HD13 ILE 6 3.728 -4.063 -7.058 67 3HD1 ILE 6 HD12 ILE 6 2.412 -3.512 -6.021 68 H GLU 7 HN GLU 7 5.553 -7.154 -2.021 69 HA GLU 7 HA GLU 7 5.297 -4.827 -0.409 70 1HB GLU 7 HB2 GLU 7 6.975 -7.278 -0.377 71 2HB GLU 7 HB1 GLU 7 7.591 -5.905 0.544 72 1HG GLU 7 HG2 GLU 7 5.272 -5.723 1.587 73 2HG GLU 7 HG1 GLU 7 4.920 -7.292 0.858 74 H GLU 8 HN GLU 8 8.465 -5.915 -1.656 75 HA GLU 8 HA GLU 8 9.502 -3.219 -1.618 76 1HB GLU 8 HB2 GLU 8 11.350 -4.313 -3.082 77 2HB GLU 8 HB1 GLU 8 11.144 -4.930 -1.443 78 1HG GLU 8 HG2 GLU 8 9.366 -6.300 -3.279 79 2HG GLU 8 HG1 GLU 8 11.040 -6.421 -3.825 80 H ILE 9 HN ILE 9 7.796 -5.141 -4.011 81 HA ILE 9 HA ILE 9 8.467 -3.621 -6.337 82 HB ILE 9 HB ILE 9 5.717 -4.729 -5.666 83 1HG1 ILE 9 HG12 ILE 9 7.501 -6.440 -5.332 84 2HG1 ILE 9 HG11 ILE 9 6.460 -6.824 -6.703 85 1HG2 ILE 9 HG22 ILE 9 5.880 -3.259 -7.659 86 2HG2 ILE 9 HG21 ILE 9 7.150 -4.298 -8.305 87 3HG2 ILE 9 HG23 ILE 9 5.514 -4.926 -8.106 88 1HD1 ILE 9 HD11 ILE 9 8.769 -5.137 -7.397 89 2HD1 ILE 9 HD13 ILE 9 9.206 -6.739 -6.803 90 3HD1 ILE 9 HD12 ILE 9 8.144 -6.575 -8.203 91 H ALA 10 HN ALA 10 6.447 -3.103 -3.566 92 HA ALA 10 HA ALA 10 5.315 -0.573 -4.556 93 1HB ALA 10 HB3 ALA 10 5.168 -2.062 -1.916 94 2HB ALA 10 HB2 ALA 10 4.440 -0.474 -2.155 95 3HB ALA 10 HB1 ALA 10 3.879 -1.853 -3.102 96 H ALA 11 HN ALA 11 7.938 -1.790 -2.637 97 HA ALA 11 HA ALA 11 8.692 0.494 -1.173 98 1HB ALA 11 HB2 ALA 11 10.357 -1.716 -2.367 99 2HB ALA 11 HB1 ALA 11 11.017 -0.482 -1.295 100 3HB ALA 11 HB3 ALA 11 9.774 -1.587 -0.708 101 H LYS 12 HN LYS 12 9.452 -0.456 -4.504 102 HA LYS 12 HA LYS 12 11.343 1.623 -5.043 103 1HB LYS 12 HB2 LYS 12 9.707 -0.261 -6.677 104 2HB LYS 12 HB1 LYS 12 10.419 1.128 -7.498 105 1HG LYS 12 HG2 LYS 12 12.270 -0.184 -7.653 106 2HG LYS 12 HG1 LYS 12 12.522 0.266 -5.966 107 1HD LYS 12 HD2 LYS 12 12.634 -2.092 -5.935 108 2HD LYS 12 HD1 LYS 12 10.986 -1.745 -5.411 109 1HE LYS 12 HE2 LYS 12 10.167 -2.905 -7.154 110 2HE LYS 12 HE1 LYS 12 11.027 -1.851 -8.276 111 1HZ LYS 12 HZ1 LYS 12 12.944 -3.492 -7.184 112 2HZ LYS 12 HZ3 LYS 12 11.629 -4.515 -7.502 113 3HZ LYS 12 HZ2 LYS 12 12.299 -3.582 -8.753 114 H TYR 13 HN TYR 13 8.007 1.865 -4.514 115 HA TYR 13 HA TYR 13 7.484 4.037 -6.381 116 1HB TYR 13 HB2 TYR 13 5.979 2.968 -3.965 117 2HB TYR 13 HB1 TYR 13 5.419 4.364 -4.870 118 HD1 TYR 13 HD1 TYR 13 6.997 1.170 -5.902 119 HD2 TYR 13 HD2 TYR 13 3.543 3.727 -6.264 120 HE1 TYR 13 HE1 TYR 13 6.060 -0.342 -7.613 121 HE2 TYR 13 HE2 TYR 13 2.644 2.223 -7.976 122 HH TYR 13 HH TYR 13 2.940 -0.352 -8.521 123 H LYS 14 HN LYS 14 9.146 5.493 -6.046 124 HA LYS 14 HA LYS 14 10.676 6.689 -4.502 125 1HB LYS 14 HB2 LYS 14 8.611 7.943 -5.994 126 2HB LYS 14 HB1 LYS 14 8.792 8.835 -4.484 127 1HG LYS 14 HG2 LYS 14 10.439 9.863 -5.747 128 2HG LYS 14 HG1 LYS 14 11.380 8.553 -5.033 129 1HD LYS 14 HD2 LYS 14 10.981 7.171 -7.043 130 2HD LYS 14 HD1 LYS 14 10.054 8.490 -7.761 131 1HE LYS 14 HE2 LYS 14 12.283 8.624 -8.662 132 2HE LYS 14 HE1 LYS 14 12.111 9.945 -7.505 133 1HZ LYS 14 HZ3 LYS 14 13.020 8.139 -5.868 134 2HZ LYS 14 HZ2 LYS 14 13.666 7.470 -7.289 135 3HZ LYS 14 HZ1 LYS 14 14.078 9.053 -6.828 136 H HIS 15 HN HIS 15 11.012 6.341 -2.387 137 HA HIS 15 HA HIS 15 9.181 5.956 -0.334 138 1HB HIS 15 HB2 HIS 15 10.961 6.732 1.214 139 2HB HIS 15 HB1 HIS 15 11.592 5.646 -0.024 140 HD1 HIS 15 HD1 HIS 15 13.292 7.884 1.468 141 HD2 HIS 15 HD2 HIS 15 11.644 8.225 -2.346 142 HE1 HIS 15 HE1 HIS 15 14.651 9.637 0.254 143 H SER 16 HN SER 16 9.979 8.955 -1.920 144 HA SER 16 HA SER 16 9.361 10.922 -0.078 145 1HB SER 16 HB2 SER 16 9.885 11.449 -2.413 146 2HB SER 16 HB1 SER 16 8.359 10.742 -2.935 147 HG SER 16 HG SER 16 7.976 12.893 -2.745 148 H VAL 17 HN VAL 17 6.785 9.892 -2.291 149 HA VAL 17 HA VAL 17 4.967 9.570 0.049 150 HB VAL 17 HB VAL 17 4.551 11.337 -2.372 151 1HG1 VAL 17 HG11 VAL 17 2.547 10.004 -0.567 152 2HG1 VAL 17 HG13 VAL 17 2.197 11.588 -1.257 153 3HG1 VAL 17 HG12 VAL 17 2.497 10.212 -2.318 154 1HG2 VAL 17 HG23 VAL 17 5.207 11.746 0.393 155 2HG2 VAL 17 HG22 VAL 17 4.997 12.956 -0.871 156 3HG2 VAL 17 HG21 VAL 17 3.612 12.431 0.085 157 H VAL 18 HN VAL 18 5.293 9.276 -3.481 158 HA VAL 18 HA VAL 18 3.282 7.493 -4.122 159 HB VAL 18 HB VAL 18 4.892 8.347 -5.760 160 1HG1 VAL 18 HG12 VAL 18 6.734 6.808 -4.000 161 2HG1 VAL 18 HG11 VAL 18 7.117 6.856 -5.718 162 3HG1 VAL 18 HG13 VAL 18 6.989 8.357 -4.797 163 1HG2 VAL 18 HG23 VAL 18 4.059 5.583 -5.527 164 2HG2 VAL 18 HG22 VAL 18 4.200 6.574 -6.979 165 3HG2 VAL 18 HG21 VAL 18 5.599 5.683 -6.380 166 H LYS 19 HN LYS 19 6.064 6.851 -2.095 167 HA LYS 19 HA LYS 19 5.991 3.977 -2.326 168 1HB LYS 19 HB2 LYS 19 7.990 4.700 -1.382 169 2HB LYS 19 HB1 LYS 19 7.205 5.958 -0.436 170 1HG LYS 19 HG2 LYS 19 6.968 4.573 1.347 171 2HG LYS 19 HG1 LYS 19 6.334 3.270 0.345 172 1HD LYS 19 HD2 LYS 19 8.356 2.263 0.148 173 2HD LYS 19 HD1 LYS 19 9.209 3.796 -0.034 174 1HE LYS 19 HE2 LYS 19 9.362 4.132 2.286 175 2HE LYS 19 HE1 LYS 19 8.043 3.010 2.626 176 1HZ LYS 19 HZ2 LYS 19 10.634 2.173 1.451 177 2HZ LYS 19 HZ1 LYS 19 10.317 2.149 3.121 178 3HZ LYS 19 HZ3 LYS 19 9.407 1.175 2.073 179 H LYS 20 HN LYS 20 5.335 5.581 0.767 180 HA LYS 20 HA LYS 20 3.630 3.693 1.841 181 1HB LYS 20 HB2 LYS 20 4.451 5.902 2.887 182 2HB LYS 20 HB1 LYS 20 3.031 6.639 2.145 183 1HG LYS 20 HG2 LYS 20 1.759 4.629 3.279 184 2HG LYS 20 HG1 LYS 20 3.173 4.590 4.333 185 1HD LYS 20 HD2 LYS 20 1.751 6.074 5.461 186 2HD LYS 20 HD1 LYS 20 2.782 7.166 4.538 187 1HE LYS 20 HE2 LYS 20 0.940 6.899 2.686 188 2HE LYS 20 HE1 LYS 20 -0.076 6.389 4.035 189 1HZ LYS 20 HZ1 LYS 20 1.529 8.847 4.247 190 2HZ LYS 20 HZ3 LYS 20 0.052 8.876 3.413 191 3HZ LYS 20 HZ2 LYS 20 0.092 8.428 5.053 192 H CYS 21 HN CYS 21 2.910 5.885 -0.756 193 HA CYS 21 HA CYS 21 0.013 5.743 -0.676 194 1HB CYS 21 HB2 CYS 21 1.923 6.122 -2.982 195 2HB CYS 21 HB1 CYS 21 0.185 6.355 -2.996 196 H CYS 22 HN CYS 22 2.295 4.216 -2.965 197 HA CYS 22 HA CYS 22 0.501 2.437 -4.102 198 1HB CYS 22 HB2 CYS 22 2.380 2.405 -5.261 199 2HB CYS 22 HB1 CYS 22 3.420 2.612 -3.862 200 H TYR 23 HN TYR 23 2.449 2.110 -1.165 201 HA TYR 23 HA TYR 23 1.693 -0.563 -0.511 202 1HB TYR 23 HB2 TYR 23 2.510 1.828 1.150 203 2HB TYR 23 HB1 TYR 23 2.017 0.319 1.918 204 HD1 TYR 23 HD2 TYR 23 4.388 1.745 -0.574 205 HD2 TYR 23 HD1 TYR 23 3.518 -1.510 2.080 206 HE1 TYR 23 HE2 TYR 23 6.647 0.820 -0.981 207 HE2 TYR 23 HE1 TYR 23 5.782 -2.445 1.670 208 HH TYR 23 HH TYR 23 7.965 -1.708 0.931 209 H ASP 24 HN ASP 24 0.234 2.599 0.094 210 HA ASP 24 HA ASP 24 -1.974 1.857 1.673 211 1HB ASP 24 HB2 ASP 24 -1.377 4.114 -0.211 212 2HB ASP 24 HB1 ASP 24 -3.086 3.790 0.119 213 H GLY 25 HN GLY 25 -1.625 1.851 -1.851 214 1HA GLY 25 HA2 GLY 25 -4.234 1.053 -2.561 215 2HA GLY 25 HA1 GLY 25 -2.786 0.706 -3.507 216 H ALA 26 HN ALA 26 -1.339 -1.056 -2.216 217 HA ALA 26 HA ALA 26 -3.124 -3.409 -2.098 218 1HB ALA 26 HB3 ALA 26 -0.944 -3.423 -3.346 219 2HB ALA 26 HB2 ALA 26 -0.113 -3.305 -1.795 220 3HB ALA 26 HB1 ALA 26 -1.096 -4.723 -2.164 221 H SER 27 HN SER 27 -2.482 -1.221 0.198 222 HA SER 27 HA SER 27 -1.879 -3.179 2.333 223 1HB SER 27 HB2 SER 27 -1.761 -0.219 2.168 224 2HB SER 27 HB1 SER 27 -1.803 -1.013 3.725 225 HG SER 27 HG SER 27 -0.031 -2.354 2.670 226 H VAL 28 HN VAL 28 -4.134 -0.465 1.814 227 HA VAL 28 HA VAL 28 -5.791 -1.110 4.041 228 HB VAL 28 HB VAL 28 -7.108 0.065 1.633 229 1HG1 VAL 28 HG11 VAL 28 -7.031 0.482 4.613 230 2HG1 VAL 28 HG13 VAL 28 -7.653 1.752 3.561 231 3HG1 VAL 28 HG12 VAL 28 -8.420 0.167 3.578 232 1HG2 VAL 28 HG23 VAL 28 -4.569 1.037 2.799 233 2HG2 VAL 28 HG22 VAL 28 -5.313 1.421 1.246 234 3HG2 VAL 28 HG21 VAL 28 -5.845 2.250 2.708 235 H ASN 29 HN ASN 29 -8.288 -1.647 3.507 236 HA ASN 29 HA ASN 29 -8.628 -4.330 3.168 237 1HB ASN 29 HB2 ASN 29 -10.328 -2.062 3.069 238 2HB ASN 29 HB1 ASN 29 -10.770 -3.080 1.705 239 1HD2 ASN 29 HD22 ASN 29 -11.141 -5.888 4.271 240 2HD2 ASN 29 HD21 ASN 29 -9.961 -5.608 3.085 241 H ASN 30 HN ASN 30 -9.407 -5.656 1.328 242 HA ASN 30 HA ASN 30 -7.709 -5.815 -0.833 243 1HB ASN 30 HB2 ASN 30 -10.536 -6.641 -0.390 244 2HB ASN 30 HB1 ASN 30 -9.951 -6.667 -2.054 245 1HD2 ASN 30 HD22 ASN 30 -8.533 -9.393 0.631 246 2HD2 ASN 30 HD21 ASN 30 -9.542 -8.127 1.142 247 H ASP 31 HN ASP 31 -10.327 -3.525 -0.396 248 HA ASP 31 HA ASP 31 -9.362 -2.055 -2.748 249 1HB ASP 31 HB2 ASP 31 -11.477 -2.007 -3.911 250 2HB ASP 31 HB1 ASP 31 -11.061 -3.697 -3.622 251 H GLU 32 HN GLU 32 -9.878 -1.754 0.310 252 HA GLU 32 HA GLU 32 -11.943 0.135 0.717 253 1HB GLU 32 HB2 GLU 32 -11.011 -0.484 2.729 254 2HB GLU 32 HB1 GLU 32 -9.362 -0.452 2.106 255 1HG GLU 32 HG2 GLU 32 -9.149 1.838 2.441 256 2HG GLU 32 HG1 GLU 32 -10.881 2.127 2.277 257 H THR 33 HN THR 33 -8.549 1.202 0.763 258 HA THR 33 HA THR 33 -9.268 3.785 -0.359 259 HB THR 33 HB THR 33 -6.465 2.685 -0.214 260 HG1 THR 33 HG1 THR 33 -8.020 3.799 1.880 261 1HG2 THR 33 HG21 THR 33 -7.772 5.393 -0.142 262 2HG2 THR 33 HG23 THR 33 -6.141 5.157 0.485 263 3HG2 THR 33 HG22 THR 33 -6.492 4.813 -1.209 264 H CYS 34 HN CYS 34 -7.731 0.840 -1.569 265 HA CYS 34 HA CYS 34 -6.740 1.466 -4.057 266 1HB CYS 34 HB2 CYS 34 -7.329 -0.847 -2.954 267 2HB CYS 34 HB1 CYS 34 -8.827 -0.693 -3.868 268 H GLU 35 HN GLU 35 -10.103 1.558 -3.049 269 HA GLU 35 HA GLU 35 -11.014 2.207 -5.790 270 1HB GLU 35 HB2 GLU 35 -12.200 0.703 -3.938 271 2HB GLU 35 HB1 GLU 35 -12.876 2.261 -3.461 272 1HG GLU 35 HG2 GLU 35 -13.711 2.630 -5.730 273 2HG GLU 35 HG1 GLU 35 -12.968 1.125 -6.271 274 H GLN 36 HN GLN 36 -11.949 3.676 -2.659 275 HA GLN 36 HA GLN 36 -12.831 6.113 -3.558 276 1HB GLN 36 HB2 GLN 36 -11.328 5.314 -1.099 277 2HB GLN 36 HB1 GLN 36 -11.576 7.035 -1.397 278 1HG GLN 36 HG2 GLN 36 -13.803 4.978 -1.428 279 2HG GLN 36 HG1 GLN 36 -13.402 5.975 -0.027 280 1HE2 GLN 36 HE22 GLN 36 -14.790 8.952 -1.409 281 2HE2 GLN 36 HE21 GLN 36 -13.756 8.329 -0.217 282 H ARG 37 HN ARG 37 -9.529 5.027 -3.516 283 HA ARG 37 HA ARG 37 -8.579 7.694 -4.385 284 1HB ARG 37 HB2 ARG 37 -7.395 5.381 -3.005 285 2HB ARG 37 HB1 ARG 37 -6.351 6.110 -4.223 286 1HG ARG 37 HG2 ARG 37 -6.343 6.997 -1.733 287 2HG ARG 37 HG1 ARG 37 -6.207 8.119 -3.078 288 1HD ARG 37 HD2 ARG 37 -8.355 8.935 -2.792 289 2HD ARG 37 HD1 ARG 37 -8.950 7.418 -2.116 290 HE ARG 37 HE ARG 37 -7.159 8.341 -0.211 291 1HH1 ARG 37 HH21 ARG 37 -9.914 9.595 -1.876 292 2HH1 ARG 37 HH22 ARG 37 -10.392 10.626 -0.570 293 1HH2 ARG 37 HH12 ARG 37 -7.774 9.682 1.495 294 2HH2 ARG 37 HH11 ARG 37 -9.183 10.676 1.336 295 H ALA 38 HN ALA 38 -8.547 4.242 -5.486 296 HA ALA 38 HA ALA 38 -7.481 5.213 -8.093 297 1HB ALA 38 HB2 ALA 38 -6.810 3.005 -6.694 298 2HB ALA 38 HB1 ALA 38 -8.086 2.332 -7.707 299 3HB ALA 38 HB3 ALA 38 -6.684 3.098 -8.450 300 H ALA 39 HN ALA 39 -10.301 5.634 -7.111 301 HA ALA 39 HA ALA 39 -11.623 4.657 -9.585 302 1HB ALA 39 HB1 ALA 39 -12.646 4.211 -6.767 303 2HB ALA 39 HB3 ALA 39 -13.658 4.055 -8.203 304 3HB ALA 39 HB2 ALA 39 -12.278 2.982 -7.975 305 H ARG 40 HN ARG 40 -11.761 6.712 -6.694 306 HA ARG 40 HA ARG 40 -12.833 8.902 -8.339 307 1HB ARG 40 HB2 ARG 40 -14.874 7.730 -7.587 308 2HB ARG 40 HB1 ARG 40 -14.331 7.863 -5.913 309 1HG ARG 40 HG2 ARG 40 -15.271 9.901 -5.791 310 2HG ARG 40 HG1 ARG 40 -14.168 10.464 -7.048 311 1HD ARG 40 HD2 ARG 40 -15.846 10.564 -8.540 312 2HD ARG 40 HD1 ARG 40 -16.260 8.877 -8.238 313 HE ARG 40 HE ARG 40 -17.337 10.212 -6.066 314 1HH1 ARG 40 HH21 ARG 40 -17.490 10.508 -9.504 315 2HH1 ARG 40 HH22 ARG 40 -19.103 11.135 -9.507 316 1HH2 ARG 40 HH12 ARG 40 -19.440 11.030 -6.058 317 2HH2 ARG 40 HH11 ARG 40 -20.206 11.431 -7.559 318 H ILE 41 HN ILE 41 -10.931 10.044 -7.818 319 HA ILE 41 HA ILE 41 -10.301 10.443 -4.941 320 HB ILE 41 HB ILE 41 -8.775 11.603 -7.278 321 1HG1 ILE 41 HG12 ILE 41 -7.270 9.541 -6.809 322 2HG1 ILE 41 HG11 ILE 41 -8.720 8.820 -6.117 323 1HG2 ILE 41 HG23 ILE 41 -8.490 12.218 -4.742 324 2HG2 ILE 41 HG22 ILE 41 -7.692 10.650 -4.637 325 3HG2 ILE 41 HG21 ILE 41 -7.056 11.892 -5.713 326 1HD1 ILE 41 HD11 ILE 41 -9.017 10.091 -8.786 327 2HD1 ILE 41 HD13 ILE 41 -8.073 8.601 -8.729 328 3HD1 ILE 41 HD12 ILE 41 -9.742 8.610 -8.158 329 H SER 42 HN SER 42 -10.180 12.622 -4.072 330 HA SER 42 HA SER 42 -12.026 14.491 -5.474 331 1HB SER 42 HB2 SER 42 -12.307 15.564 -3.313 332 2HB SER 42 HB1 SER 42 -12.503 13.827 -3.100 333 HG SER 42 HG SER 42 -11.000 15.160 -1.657 334 H LEU 43 HN LEU 43 -8.707 14.067 -4.632 335 HA LEU 43 HA LEU 43 -8.151 16.839 -5.606 336 1HB LEU 43 HB2 LEU 43 -7.839 16.122 -3.004 337 2HB LEU 43 HB1 LEU 43 -6.263 15.662 -3.642 338 HG LEU 43 HG LEU 43 -7.555 18.391 -3.645 339 1HD1 LEU 43 HD13 LEU 43 -5.993 17.350 -1.793 340 2HD1 LEU 43 HD12 LEU 43 -4.712 17.717 -2.947 341 3HD1 LEU 43 HD11 LEU 43 -5.734 19.011 -2.323 342 1HD2 LEU 43 HD21 LEU 43 -6.657 17.894 -5.925 343 2HD2 LEU 43 HD23 LEU 43 -5.745 19.161 -5.105 344 3HD2 LEU 43 HD22 LEU 43 -5.093 17.525 -5.200 345 H GLY 44 HN GLY 44 -7.718 13.584 -6.144 346 1HA GLY 44 HA2 GLY 44 -6.025 12.295 -7.200 347 2HA GLY 44 HA1 GLY 44 -6.059 13.647 -8.329 348 HA PRO 45 HA PRO 45 -2.674 14.994 -5.082 349 1HB PRO 45 HB2 PRO 45 -2.228 12.793 -3.315 350 2HB PRO 45 HB1 PRO 45 -2.851 14.397 -2.922 351 1HG PRO 45 HG2 PRO 45 -4.271 11.927 -2.939 352 2HG PRO 45 HG1 PRO 45 -4.897 13.542 -2.588 353 1HD PRO 45 HD2 PRO 45 -5.388 11.912 -4.901 354 2HD PRO 45 HD1 PRO 45 -6.041 13.510 -4.522 355 H ARG 46 HN ARG 46 -2.118 11.511 -4.648 356 HA ARG 46 HA ARG 46 -0.518 11.243 -7.047 357 1HB ARG 46 HB2 ARG 46 0.760 12.582 -4.981 358 2HB ARG 46 HB1 ARG 46 1.302 10.916 -4.777 359 1HG ARG 46 HG2 ARG 46 2.854 11.904 -6.294 360 2HG ARG 46 HG1 ARG 46 1.784 10.919 -7.291 361 1HD ARG 46 HD2 ARG 46 0.691 12.766 -8.185 362 2HD ARG 46 HD1 ARG 46 1.067 13.788 -6.798 363 HE ARG 46 HE ARG 46 3.543 13.255 -7.922 364 1HH1 ARG 46 HH21 ARG 46 0.507 14.482 -9.021 365 2HH1 ARG 46 HH22 ARG 46 1.211 15.493 -10.237 366 1HH2 ARG 46 HH12 ARG 46 4.470 14.569 -9.506 367 2HH2 ARG 46 HH11 ARG 46 3.452 15.543 -10.512 368 H CYS 47 HN CYS 47 -1.140 10.046 -3.732 369 HA CYS 47 HA CYS 47 -0.183 7.422 -4.178 370 1HB CYS 47 HB2 CYS 47 -2.608 8.006 -2.459 371 2HB CYS 47 HB1 CYS 47 -1.473 6.697 -2.267 372 H ILE 48 HN ILE 48 -3.208 8.940 -5.080 373 HA ILE 48 HA ILE 48 -4.538 6.530 -5.741 374 HB ILE 48 HB ILE 48 -6.071 7.883 -7.008 375 1HG1 ILE 48 HG12 ILE 48 -4.321 9.157 -8.312 376 2HG1 ILE 48 HG11 ILE 48 -5.645 10.153 -7.722 377 1HG2 ILE 48 HG23 ILE 48 -5.059 8.762 -4.415 378 2HG2 ILE 48 HG22 ILE 48 -5.886 10.049 -5.291 379 3HG2 ILE 48 HG21 ILE 48 -6.723 8.535 -4.953 380 1HD1 ILE 48 HD12 ILE 48 -4.173 10.641 -5.682 381 2HD1 ILE 48 HD11 ILE 48 -2.844 9.950 -6.609 382 3HD1 ILE 48 HD13 ILE 48 -3.682 11.381 -7.205 383 H LYS 49 HN LYS 49 -2.580 8.670 -7.907 384 HA LYS 49 HA LYS 49 -2.815 6.897 -10.156 385 1HB LYS 49 HB2 LYS 49 -1.084 9.204 -9.410 386 2HB LYS 49 HB1 LYS 49 -0.492 8.139 -10.684 387 1HG LYS 49 HG2 LYS 49 -3.215 8.523 -11.259 388 2HG LYS 49 HG1 LYS 49 -2.610 10.115 -10.799 389 1HD LYS 49 HD2 LYS 49 -0.941 10.091 -12.486 390 2HD LYS 49 HD1 LYS 49 -1.121 8.356 -12.750 391 1HE LYS 49 HE2 LYS 49 -2.247 9.433 -14.572 392 2HE LYS 49 HE1 LYS 49 -3.507 8.838 -13.492 393 1HZ LYS 49 HZ3 LYS 49 -2.452 11.560 -13.142 394 2HZ LYS 49 HZ2 LYS 49 -3.602 11.257 -14.355 395 3HZ LYS 49 HZ1 LYS 49 -3.975 10.939 -12.728 396 H ALA 50 HN ALA 50 0.058 7.465 -8.086 397 HA ALA 50 HA ALA 50 1.637 5.298 -8.953 398 1HB ALA 50 HB3 ALA 50 1.301 6.247 -6.091 399 2HB ALA 50 HB2 ALA 50 2.658 5.313 -6.719 400 3HB ALA 50 HB1 ALA 50 2.399 6.970 -7.268 401 H PHE 51 HN PHE 51 -0.395 5.375 -6.109 402 HA PHE 51 HA PHE 51 -0.228 2.595 -5.728 403 1HB PHE 51 HB2 PHE 51 -1.091 3.097 -3.764 404 2HB PHE 51 HB1 PHE 51 -1.038 4.763 -4.227 405 HD1 PHE 51 HD1 PHE 51 -3.406 4.571 -6.252 406 HD2 PHE 51 HD2 PHE 51 -2.872 3.218 -2.248 407 HE1 PHE 51 HE1 PHE 51 -5.856 4.584 -5.930 408 HE2 PHE 51 HE2 PHE 51 -5.313 3.245 -1.908 409 HZ PHE 51 HZ PHE 51 -6.810 3.905 -3.759 410 H THR 52 HN THR 52 -2.106 4.305 -7.996 411 HA THR 52 HA THR 52 -4.407 2.508 -7.991 412 HB THR 52 HB THR 52 -3.444 4.743 -9.738 413 HG1 THR 52 HG1 THR 52 -5.444 5.477 -9.296 414 1HG2 THR 52 HG21 THR 52 -5.421 2.645 -10.688 415 2HG2 THR 52 HG23 THR 52 -5.103 4.184 -11.489 416 3HG2 THR 52 HG22 THR 52 -3.835 2.963 -11.393 417 H GLU 53 HN GLU 53 -1.474 2.909 -9.981 418 HA GLU 53 HA GLU 53 -2.042 0.445 -11.468 419 1HB GLU 53 HB2 GLU 53 0.555 2.000 -11.211 420 2HB GLU 53 HB1 GLU 53 0.201 0.758 -12.413 421 1HG GLU 53 HG2 GLU 53 -0.286 2.687 -13.619 422 2HG GLU 53 HG1 GLU 53 -1.872 2.288 -12.959 423 H CYS 54 HN CYS 54 -0.317 1.349 -8.569 424 HA CYS 54 HA CYS 54 1.104 -1.172 -8.277 425 1HB CYS 54 HB2 CYS 54 2.098 0.611 -7.153 426 2HB CYS 54 HB1 CYS 54 0.565 1.222 -6.524 427 H CYS 55 HN CYS 55 -1.985 0.108 -7.196 428 HA CYS 55 HA CYS 55 -2.511 -2.132 -5.411 429 1HB CYS 55 HB2 CYS 55 -3.502 0.184 -5.128 430 2HB CYS 55 HB1 CYS 55 -4.535 -0.152 -6.513 431 H VAL 56 HN VAL 56 -3.649 -1.114 -8.635 432 HA VAL 56 HA VAL 56 -5.361 -3.350 -9.093 433 HB VAL 56 HB VAL 56 -5.004 -2.831 -11.523 434 1HG1 VAL 56 HG13 VAL 56 -5.867 -0.934 -9.439 435 2HG1 VAL 56 HG12 VAL 56 -5.489 -0.181 -10.989 436 3HG1 VAL 56 HG11 VAL 56 -6.704 -1.458 -10.901 437 1HG2 VAL 56 HG21 VAL 56 -2.808 -1.196 -10.308 438 2HG2 VAL 56 HG23 VAL 56 -2.816 -2.119 -11.811 439 3HG2 VAL 56 HG22 VAL 56 -3.632 -0.558 -11.730 440 H VAL 57 HN VAL 57 -1.922 -2.806 -9.964 441 HA VAL 57 HA VAL 57 -1.479 -5.382 -11.096 442 HB VAL 57 HB VAL 57 0.182 -3.617 -11.315 443 1HG1 VAL 57 HG13 VAL 57 -0.390 -2.926 -8.800 444 2HG1 VAL 57 HG12 VAL 57 1.038 -3.907 -8.472 445 3HG1 VAL 57 HG11 VAL 57 1.151 -2.511 -9.544 446 1HG2 VAL 57 HG23 VAL 57 0.844 -6.110 -11.167 447 2HG2 VAL 57 HG22 VAL 57 2.134 -4.926 -10.958 448 3HG2 VAL 57 HG21 VAL 57 1.435 -5.726 -9.550 449 H ALA 58 HN ALA 58 -1.129 -4.246 -7.711 450 HA ALA 58 HA ALA 58 -0.170 -6.631 -6.572 451 1HB ALA 58 HB1 ALA 58 -1.875 -4.383 -5.594 452 2HB ALA 58 HB3 ALA 58 -1.814 -5.843 -4.608 453 3HB ALA 58 HB2 ALA 58 -0.329 -4.967 -4.978 454 H SER 59 HN SER 59 -3.501 -5.706 -7.354 455 HA SER 59 HA SER 59 -4.773 -8.068 -6.346 456 1HB SER 59 HB2 SER 59 -6.047 -7.022 -8.739 457 2HB SER 59 HB1 SER 59 -6.644 -7.046 -7.080 458 HG SER 59 HG SER 59 -6.320 -4.912 -7.907 459 H GLN 60 HN GLN 60 -4.405 -7.236 -9.792 460 HA GLN 60 HA GLN 60 -4.893 -9.697 -10.909 461 1HB GLN 60 HB2 GLN 60 -3.637 -7.309 -11.769 462 2HB GLN 60 HB1 GLN 60 -2.559 -8.630 -12.224 463 1HG GLN 60 HG2 GLN 60 -4.383 -9.784 -13.360 464 2HG GLN 60 HG1 GLN 60 -5.528 -8.550 -12.831 465 1HE2 GLN 60 HE21 GLN 60 -6.023 -7.261 -14.611 466 2HE2 GLN 60 HE22 GLN 60 -4.891 -6.669 -15.729 467 H LEU 61 HN LEU 61 -2.089 -8.758 -9.086 468 HA LEU 61 HA LEU 61 -0.395 -11.008 -9.806 469 1HB LEU 61 HB2 LEU 61 -0.425 -8.991 -7.569 470 2HB LEU 61 HB1 LEU 61 0.715 -10.320 -7.567 471 HG LEU 61 HG LEU 61 1.131 -7.918 -8.663 472 1HD1 LEU 61 HD12 LEU 61 2.725 -9.831 -8.188 473 2HD1 LEU 61 HD11 LEU 61 2.372 -10.396 -9.822 474 3HD1 LEU 61 HD13 LEU 61 3.128 -8.821 -9.578 475 1HD2 LEU 61 HD21 LEU 61 -0.560 -8.406 -10.474 476 2HD2 LEU 61 HD23 LEU 61 1.050 -8.034 -11.086 477 3HD2 LEU 61 HD22 LEU 61 0.496 -9.706 -11.017 478 H ARG 62 HN ARG 62 -1.310 -10.231 -6.538 479 HA ARG 62 HA ARG 62 -1.231 -12.635 -5.298 480 1HB ARG 62 HB2 ARG 62 -3.470 -10.609 -5.063 481 2HB ARG 62 HB1 ARG 62 -3.288 -11.972 -3.958 482 1HG ARG 62 HG2 ARG 62 -0.861 -10.321 -4.436 483 2HG ARG 62 HG1 ARG 62 -2.152 -9.572 -3.496 484 1HD ARG 62 HD2 ARG 62 -1.641 -12.337 -2.706 485 2HD ARG 62 HD1 ARG 62 -0.224 -11.313 -2.505 486 HE ARG 62 HE ARG 62 -2.475 -11.345 -0.783 487 1HH1 ARG 62 HH21 ARG 62 -0.550 -9.051 -2.523 488 2HH1 ARG 62 HH22 ARG 62 -1.078 -7.709 -1.569 489 1HH2 ARG 62 HH12 ARG 62 -3.139 -9.605 0.466 490 2HH2 ARG 62 HH11 ARG 62 -2.529 -8.020 0.121 491 H ALA 63 HN ALA 63 -3.903 -11.719 -7.467 492 HA ALA 63 HA ALA 63 -5.574 -13.954 -7.083 493 1HB ALA 63 HB3 ALA 63 -5.563 -11.840 -8.826 494 2HB ALA 63 HB2 ALA 63 -5.170 -13.176 -9.909 495 3HB ALA 63 HB1 ALA 63 -6.654 -13.220 -8.957 496 H ASN 64 HN ASN 64 -3.067 -13.630 -9.617 497 HA ASN 64 HA ASN 64 -2.357 -16.484 -9.207 498 1HB ASN 64 HB2 ASN 64 -3.998 -15.636 -11.327 499 2HB ASN 64 HB1 ASN 64 -2.395 -15.832 -12.038 500 1HD2 ASN 64 HD22 ASN 64 -2.260 -19.372 -11.146 501 2HD2 ASN 64 HD21 ASN 64 -1.262 -17.998 -11.128 502 H ILE 65 HN ILE 65 -0.746 -14.532 -8.299 503 HA ILE 65 HA ILE 65 1.012 -13.263 -10.118 504 HB ILE 65 HB ILE 65 2.647 -14.107 -7.955 505 1HG1 ILE 65 HG12 ILE 65 -0.087 -13.194 -7.013 506 2HG1 ILE 65 HG11 ILE 65 0.509 -14.849 -6.865 507 1HG2 ILE 65 HG23 ILE 65 1.231 -11.621 -8.842 508 2HG2 ILE 65 HG22 ILE 65 1.996 -11.631 -7.253 509 3HG2 ILE 65 HG21 ILE 65 2.960 -11.931 -8.697 510 1HD1 ILE 65 HD12 ILE 65 2.491 -13.000 -5.869 511 2HD1 ILE 65 HD11 ILE 65 0.946 -12.714 -5.068 512 3HD1 ILE 65 HD13 ILE 65 1.682 -14.316 -5.019 513 H SER 66 HN SER 66 1.947 -14.311 -11.786 514 HA SER 66 HA SER 66 3.835 -16.481 -11.213 515 1HB SER 66 HB2 SER 66 2.730 -17.880 -13.098 516 2HB SER 66 HB1 SER 66 1.982 -17.914 -11.504 517 HG SER 66 HG SER 66 1.190 -16.546 -13.838 518 H HIS 67 HN HIS 67 2.169 -14.507 -13.654 519 HA HIS 67 HA HIS 67 4.568 -14.674 -15.402 520 1HB HIS 67 HB2 HIS 67 1.758 -14.401 -15.869 521 2HB HIS 67 HB1 HIS 67 2.560 -12.958 -16.490 522 HD1 HIS 67 HD1 HIS 67 1.638 -16.209 -17.568 523 HD2 HIS 67 HD2 HIS 67 5.071 -13.895 -18.057 524 HE1 HIS 67 HE1 HIS 67 2.875 -17.174 -19.556 525 H LYS 68 HN LYS 68 4.363 -12.144 -16.627 526 HA LYS 68 HA LYS 68 5.843 -10.514 -14.802 527 1HB LYS 68 HB2 LYS 68 5.287 -10.462 -17.527 528 2HB LYS 68 HB1 LYS 68 4.494 -9.010 -16.916 529 1HG LYS 68 HG2 LYS 68 6.529 -8.032 -16.970 530 2HG LYS 68 HG1 LYS 68 6.934 -9.036 -15.578 531 1HD LYS 68 HD2 LYS 68 7.243 -10.756 -17.747 532 2HD LYS 68 HD1 LYS 68 7.890 -9.221 -18.330 533 1HE LYS 68 HE2 LYS 68 9.384 -9.065 -16.420 534 2HE LYS 68 HE1 LYS 68 8.664 -10.503 -15.694 535 1HZ LYS 68 HZ2 LYS 68 9.588 -10.895 -18.391 536 2HZ LYS 68 HZ1 LYS 68 10.829 -10.497 -17.302 537 3HZ LYS 68 HZ3 LYS 68 9.844 -11.845 -17.005 538 H ASP 69 HN ASP 69 4.959 -8.050 -14.579 539 HA ASP 69 HA ASP 69 2.171 -8.234 -13.513 540 1HB ASP 69 HB2 ASP 69 2.953 -6.644 -11.702 541 2HB ASP 69 HB1 ASP 69 3.635 -8.268 -11.600 542 H MET 70 HN MET 70 1.872 -5.567 -12.769 543 HA MET 70 HA MET 70 2.083 -4.221 -15.425 544 1HB MET 70 HB2 MET 70 -0.206 -4.672 -14.287 545 2HB MET 70 HB1 MET 70 0.238 -3.356 -13.203 546 1HG MET 70 HG2 MET 70 0.522 -1.839 -15.097 547 2HG MET 70 HG1 MET 70 0.183 -3.151 -16.226 548 1HE MET 70 HE1 MET 70 -0.811 -0.615 -16.312 549 2HE MET 70 HE3 MET 70 -2.415 -1.024 -16.939 550 3HE MET 70 HE2 MET 70 -2.258 -0.100 -15.447 551 H CYS 71 HN CYS 71 1.653 -2.926 -12.118 552 HA CYS 71 HA CYS 71 3.991 -1.148 -12.665 553 1HB CYS 71 HB2 CYS 71 1.272 -0.599 -11.771 554 2HB CYS 71 HB1 CYS 71 2.467 0.060 -10.650 555 1H CYS 72 HN2 CYS 72 3.488 4.425 -12.040 556 2H CYS 72 HN1 CYS 72 2.030 3.555 -11.978 557 3H CYS 72 HN3 CYS 72 2.105 5.127 -11.348 558 HA CYS 72 HA CYS 72 2.139 3.598 -9.528 559 1HB CYS 72 HB2 CYS 72 4.503 2.255 -9.624 560 2HB CYS 72 HB1 CYS 72 2.938 1.564 -10.008 561 H LEU 73 HN LEU 73 5.536 3.678 -10.389 562 HA LEU 73 HA LEU 73 6.501 4.914 -8.139 563 1HB LEU 73 HB2 LEU 73 8.069 4.088 -9.737 564 2HB LEU 73 HB1 LEU 73 7.446 5.148 -11.001 565 HG LEU 73 HG LEU 73 8.463 6.443 -8.514 566 1HD1 LEU 73 HD11 LEU 73 10.040 4.509 -9.660 567 2HD1 LEU 73 HD13 LEU 73 10.532 5.949 -10.554 568 3HD1 LEU 73 HD12 LEU 73 10.656 5.917 -8.795 569 1HD2 LEU 73 HD23 LEU 73 8.347 7.010 -11.474 570 2HD2 LEU 73 HD22 LEU 73 7.663 7.947 -10.146 571 3HD2 LEU 73 HD21 LEU 73 9.406 7.948 -10.419 572 H GLY 74 HN GLY 74 7.010 7.119 -7.565 573 1HA GLY 74 HA2 GLY 74 5.356 9.150 -9.017 574 2HA GLY 74 HA1 GLY 74 5.551 9.153 -7.265 575 1HN DAR 75 HN ARG 75 6.331 11.429 -7.772 576 HA DAR 75 HA ARG 75 8.690 12.011 -9.199 577 1HB DAR 75 HB1 ARG 75 9.904 10.462 -7.827 578 2HB DAR 75 HB2 ARG 75 9.161 11.088 -6.355 579 1HG DAR 75 HG1 ARG 75 10.382 13.278 -7.727 580 2HG DAR 75 HG2 ARG 75 11.560 11.967 -7.638 581 1HD DAR 75 HD1 ARG 75 11.799 12.196 -5.397 582 2HD DAR 75 HD2 ARG 75 10.058 12.318 -5.153 583 HNE DAR 75 HE ARG 75 10.398 14.598 -4.870 584 1HH1 DAR 75 HH11 ARG 75 11.066 16.631 -5.530 585 2HH1 DAR 75 HH12 ARG 75 12.283 16.780 -6.755 586 1HH2 DAR 75 HH21 ARG 75 12.693 13.369 -7.161 587 2HH2 DAR 75 HH22 ARG 75 13.189 14.942 -7.679 No H/Q in entry = 587 Start of MODEL 20 1 1H MET 1 HN3 MET 1 11.877 -15.701 -3.626 2 2H MET 1 HN2 MET 1 12.784 -16.758 -4.599 3 3H MET 1 HN1 MET 1 11.299 -17.263 -3.943 4 HA MET 1 HA MET 1 13.139 -18.231 -2.719 5 1HB MET 1 HB2 MET 1 14.706 -16.819 -1.538 6 2HB MET 1 HB1 MET 1 14.697 -16.309 -3.227 7 1HG MET 1 HG2 MET 1 13.055 -14.522 -2.638 8 2HG MET 1 HG1 MET 1 13.198 -14.991 -0.944 9 1HE MET 1 HE3 MET 1 14.628 -13.941 -4.064 10 2HE MET 1 HE2 MET 1 14.792 -12.296 -3.452 11 3HE MET 1 HE1 MET 1 16.233 -13.252 -3.787 12 H LEU 2 HN LEU 2 11.339 -15.274 -1.863 13 HA LEU 2 HA LEU 2 10.258 -16.772 0.489 14 1HB LEU 2 HB2 LEU 2 11.580 -14.138 0.354 15 2HB LEU 2 HB1 LEU 2 10.058 -14.144 1.247 16 HG LEU 2 HG LEU 2 11.607 -16.483 1.932 17 1HD1 LEU 2 HD11 LEU 2 13.467 -14.874 1.227 18 2HD1 LEU 2 HD13 LEU 2 12.968 -13.861 2.581 19 3HD1 LEU 2 HD12 LEU 2 13.566 -15.494 2.874 20 1HD2 LEU 2 HD21 LEU 2 9.741 -15.206 3.180 21 2HD2 LEU 2 HD23 LEU 2 11.102 -15.781 4.143 22 3HD2 LEU 2 HD22 LEU 2 11.010 -14.084 3.669 23 H GLN 3 HN GLN 3 8.291 -15.104 1.304 24 HA GLN 3 HA GLN 3 6.428 -15.185 -0.989 25 1HB GLN 3 HB2 GLN 3 6.197 -15.146 1.966 26 2HB GLN 3 HB1 GLN 3 4.927 -14.288 1.093 27 1HG GLN 3 HG2 GLN 3 4.249 -16.223 -0.070 28 2HG GLN 3 HG1 GLN 3 5.761 -17.066 0.270 29 1HE2 GLN 3 HE22 GLN 3 4.691 -18.271 3.423 30 2HE2 GLN 3 HE21 GLN 3 5.978 -18.138 2.324 31 H LYS 4 HN LYS 4 8.570 -13.131 -0.824 32 HA LYS 4 HA LYS 4 6.986 -10.654 -0.378 33 1HB LYS 4 HB2 LYS 4 9.804 -11.374 -0.196 34 2HB LYS 4 HB1 LYS 4 9.564 -9.935 -1.188 35 1HG LYS 4 HG2 LYS 4 7.843 -9.508 0.936 36 2HG LYS 4 HG1 LYS 4 9.230 -10.279 1.705 37 1HD LYS 4 HD2 LYS 4 9.828 -8.163 -0.299 38 2HD LYS 4 HD1 LYS 4 9.132 -7.628 1.232 39 1HE LYS 4 HE2 LYS 4 10.922 -9.154 2.331 40 2HE LYS 4 HE1 LYS 4 11.715 -9.108 0.757 41 1HZ LYS 4 HZ1 LYS 4 10.885 -6.672 2.224 42 2HZ LYS 4 HZ3 LYS 4 12.430 -7.355 2.367 43 3HZ LYS 4 HZ2 LYS 4 11.897 -6.771 0.864 44 H LYS 5 HN LYS 5 6.165 -9.557 -2.095 45 HA LYS 5 HA LYS 5 7.427 -9.917 -4.766 46 1HB LYS 5 HB2 LYS 5 4.914 -11.050 -3.967 47 2HB LYS 5 HB1 LYS 5 4.607 -9.782 -5.154 48 1HG LYS 5 HG2 LYS 5 6.557 -10.869 -6.488 49 2HG LYS 5 HG1 LYS 5 6.283 -12.267 -5.447 50 1HD LYS 5 HD2 LYS 5 3.763 -11.909 -6.126 51 2HD LYS 5 HD1 LYS 5 4.462 -11.049 -7.498 52 1HE LYS 5 HE2 LYS 5 4.314 -13.251 -8.297 53 2HE LYS 5 HE1 LYS 5 5.984 -13.155 -7.736 54 1HZ LYS 5 HZ2 LYS 5 3.930 -13.983 -5.824 55 2HZ LYS 5 HZ1 LYS 5 4.411 -15.104 -7.006 56 3HZ LYS 5 HZ3 LYS 5 5.557 -14.455 -5.937 57 H ILE 6 HN ILE 6 4.340 -8.403 -3.884 58 HA ILE 6 HA ILE 6 5.143 -5.920 -5.159 59 HB ILE 6 HB ILE 6 2.702 -6.856 -3.665 60 1HG1 ILE 6 HG12 ILE 6 3.149 -7.358 -6.114 61 2HG1 ILE 6 HG11 ILE 6 1.638 -6.506 -5.797 62 1HG2 ILE 6 HG23 ILE 6 3.509 -4.032 -4.317 63 2HG2 ILE 6 HG22 ILE 6 1.809 -4.497 -4.389 64 3HG2 ILE 6 HG21 ILE 6 2.702 -4.652 -2.876 65 1HD1 ILE 6 HD13 ILE 6 4.012 -4.784 -6.238 66 2HD1 ILE 6 HD12 ILE 6 3.447 -5.682 -7.647 67 3HD1 ILE 6 HD11 ILE 6 2.354 -4.582 -6.806 68 H GLU 7 HN GLU 7 5.943 -7.234 -2.219 69 HA GLU 7 HA GLU 7 5.632 -5.137 -0.346 70 1HB GLU 7 HB2 GLU 7 7.379 -7.497 -0.640 71 2HB GLU 7 HB1 GLU 7 8.066 -6.199 0.335 72 1HG GLU 7 HG2 GLU 7 5.240 -6.700 0.930 73 2HG GLU 7 HG1 GLU 7 6.270 -8.098 1.244 74 H GLU 8 HN GLU 8 8.938 -5.799 -1.404 75 HA GLU 8 HA GLU 8 9.630 -3.002 -1.284 76 1HB GLU 8 HB2 GLU 8 11.791 -3.722 -2.278 77 2HB GLU 8 HB1 GLU 8 11.318 -4.782 -0.949 78 1HG GLU 8 HG2 GLU 8 10.144 -6.144 -2.907 79 2HG GLU 8 HG1 GLU 8 11.365 -5.334 -3.890 80 H ILE 9 HN ILE 9 8.510 -5.117 -3.866 81 HA ILE 9 HA ILE 9 9.202 -3.523 -6.108 82 HB ILE 9 HB ILE 9 6.792 -5.244 -5.489 83 1HG1 ILE 9 HG12 ILE 9 9.112 -5.471 -7.431 84 2HG1 ILE 9 HG11 ILE 9 8.903 -6.397 -5.945 85 1HG2 ILE 9 HG22 ILE 9 7.286 -3.438 -7.841 86 2HG2 ILE 9 HG21 ILE 9 6.411 -4.953 -8.067 87 3HG2 ILE 9 HG23 ILE 9 5.785 -3.729 -6.962 88 1HD1 ILE 9 HD13 ILE 9 6.602 -6.505 -7.791 89 2HD1 ILE 9 HD12 ILE 9 8.076 -7.248 -8.411 90 3HD1 ILE 9 HD11 ILE 9 7.382 -7.802 -6.887 91 H ALA 10 HN ALA 10 6.826 -3.212 -3.579 92 HA ALA 10 HA ALA 10 5.606 -0.788 -4.725 93 1HB ALA 10 HB2 ALA 10 5.215 -2.392 -2.196 94 2HB ALA 10 HB1 ALA 10 4.519 -0.779 -2.355 95 3HB ALA 10 HB3 ALA 10 4.047 -2.057 -3.474 96 H ALA 11 HN ALA 11 8.033 -1.765 -2.414 97 HA ALA 11 HA ALA 11 8.380 0.603 -0.935 98 1HB ALA 11 HB2 ALA 11 10.437 -1.410 -1.841 99 2HB ALA 11 HB1 ALA 11 10.746 -0.145 -0.653 100 3HB ALA 11 HB3 ALA 11 9.564 -1.407 -0.309 101 H LYS 12 HN LYS 12 9.295 -0.208 -4.208 102 HA LYS 12 HA LYS 12 11.229 1.906 -4.584 103 1HB LYS 12 HB2 LYS 12 9.962 -0.162 -6.194 104 2HB LYS 12 HB1 LYS 12 10.151 1.345 -7.091 105 1HG LYS 12 HG2 LYS 12 12.245 0.464 -7.460 106 2HG LYS 12 HG1 LYS 12 12.560 1.270 -5.922 107 1HD LYS 12 HD2 LYS 12 13.313 -0.804 -5.316 108 2HD LYS 12 HD1 LYS 12 11.600 -1.089 -5.011 109 1HE LYS 12 HE2 LYS 12 11.612 -2.715 -6.564 110 2HE LYS 12 HE1 LYS 12 12.039 -1.519 -7.788 111 1HZ LYS 12 HZ3 LYS 12 14.130 -2.567 -6.013 112 2HZ LYS 12 HZ2 LYS 12 13.601 -3.521 -7.316 113 3HZ LYS 12 HZ1 LYS 12 14.259 -1.981 -7.600 114 H TYR 13 HN TYR 13 8.037 2.252 -3.936 115 HA TYR 13 HA TYR 13 7.454 4.363 -5.896 116 1HB TYR 13 HB2 TYR 13 5.908 3.240 -3.526 117 2HB TYR 13 HB1 TYR 13 5.319 4.578 -4.497 118 HD1 TYR 13 HD1 TYR 13 7.075 1.416 -5.332 119 HD2 TYR 13 HD2 TYR 13 3.552 3.820 -5.950 120 HE1 TYR 13 HE1 TYR 13 6.276 -0.193 -7.025 121 HE2 TYR 13 HE2 TYR 13 2.788 2.221 -7.643 122 HH TYR 13 HH TYR 13 3.071 0.039 -8.387 123 H LYS 14 HN LYS 14 9.068 5.869 -5.446 124 HA LYS 14 HA LYS 14 10.477 7.064 -3.784 125 1HB LYS 14 HB2 LYS 14 8.440 8.299 -5.346 126 2HB LYS 14 HB1 LYS 14 8.569 9.171 -3.817 127 1HG LYS 14 HG2 LYS 14 10.174 10.168 -5.290 128 2HG LYS 14 HG1 LYS 14 11.092 9.165 -4.169 129 1HD LYS 14 HD2 LYS 14 10.753 7.306 -5.997 130 2HD LYS 14 HD1 LYS 14 10.475 8.681 -7.067 131 1HE LYS 14 HE2 LYS 14 12.641 9.567 -6.673 132 2HE LYS 14 HE1 LYS 14 12.888 8.546 -5.256 133 1HZ LYS 14 HZ1 LYS 14 12.318 7.023 -7.605 134 2HZ LYS 14 HZ3 LYS 14 13.696 7.991 -7.804 135 3HZ LYS 14 HZ2 LYS 14 13.615 6.887 -6.516 136 H HIS 15 HN HIS 15 10.706 6.685 -1.668 137 HA HIS 15 HA HIS 15 8.787 6.176 0.269 138 1HB HIS 15 HB2 HIS 15 10.461 6.984 1.927 139 2HB HIS 15 HB1 HIS 15 11.174 5.931 0.706 140 HD1 HIS 15 HD1 HIS 15 12.806 8.121 2.281 141 HD2 HIS 15 HD2 HIS 15 11.227 8.612 -1.548 142 HE1 HIS 15 HE1 HIS 15 14.169 9.941 1.170 143 H SER 16 HN SER 16 9.533 9.270 -1.167 144 HA SER 16 HA SER 16 8.751 11.125 0.729 145 1HB SER 16 HB2 SER 16 7.924 11.039 -2.184 146 2HB SER 16 HB1 SER 16 7.762 12.452 -1.146 147 HG SER 16 HG SER 16 9.782 12.045 -2.532 148 H VAL 17 HN VAL 17 6.322 10.108 -1.648 149 HA VAL 17 HA VAL 17 4.413 9.602 0.581 150 HB VAL 17 HB VAL 17 4.053 11.505 -1.744 151 1HG1 VAL 17 HG12 VAL 17 2.017 9.971 -0.157 152 2HG1 VAL 17 HG11 VAL 17 1.641 11.607 -0.697 153 3HG1 VAL 17 HG13 VAL 17 2.025 10.356 -1.877 154 1HG2 VAL 17 HG21 VAL 17 4.972 12.348 0.425 155 2HG2 VAL 17 HG23 VAL 17 3.408 13.059 0.027 156 3HG2 VAL 17 HG22 VAL 17 3.512 11.774 1.230 157 H VAL 18 HN VAL 18 5.019 9.436 -2.921 158 HA VAL 18 HA VAL 18 3.049 7.655 -3.754 159 HB VAL 18 HB VAL 18 4.740 8.613 -5.264 160 1HG1 VAL 18 HG11 VAL 18 6.498 7.021 -3.468 161 2HG1 VAL 18 HG13 VAL 18 6.981 7.151 -5.156 162 3HG1 VAL 18 HG12 VAL 18 6.776 8.606 -4.178 163 1HG2 VAL 18 HG23 VAL 18 4.013 5.782 -5.173 164 2HG2 VAL 18 HG22 VAL 18 4.064 6.874 -6.555 165 3HG2 VAL 18 HG21 VAL 18 5.529 6.045 -6.031 166 H LYS 19 HN LYS 19 5.711 7.020 -1.585 167 HA LYS 19 HA LYS 19 5.731 4.141 -1.896 168 1HB LYS 19 HB2 LYS 19 7.677 4.937 -0.871 169 2HB LYS 19 HB1 LYS 19 6.802 6.096 0.117 170 1HG LYS 19 HG2 LYS 19 6.666 4.609 1.817 171 2HG LYS 19 HG1 LYS 19 5.985 3.379 0.754 172 1HD LYS 19 HD2 LYS 19 7.979 2.342 0.471 173 2HD LYS 19 HD1 LYS 19 8.852 3.866 0.317 174 1HE LYS 19 HE2 LYS 19 8.804 4.170 2.748 175 2HE LYS 19 HE1 LYS 19 7.863 2.690 2.930 176 1HZ LYS 19 HZ1 LYS 19 9.762 1.550 1.757 177 2HZ LYS 19 HZ3 LYS 19 10.658 2.970 1.996 178 3HZ LYS 19 HZ2 LYS 19 10.082 2.096 3.334 179 H LYS 20 HN LYS 20 4.912 5.679 1.193 180 HA LYS 20 HA LYS 20 3.212 3.716 2.146 181 1HB LYS 20 HB2 LYS 20 3.794 5.573 3.570 182 2HB LYS 20 HB1 LYS 20 2.996 6.720 2.494 183 1HG LYS 20 HG2 LYS 20 0.833 5.474 2.935 184 2HG LYS 20 HG1 LYS 20 1.690 4.578 4.190 185 1HD LYS 20 HD2 LYS 20 2.218 6.662 5.360 186 2HD LYS 20 HD1 LYS 20 1.442 7.598 4.083 187 1HE LYS 20 HE2 LYS 20 -0.040 5.467 5.629 188 2HE LYS 20 HE1 LYS 20 0.031 7.142 6.176 189 1HZ LYS 20 HZ1 LYS 20 -0.604 7.186 3.472 190 2HZ LYS 20 HZ3 LYS 20 -1.601 6.011 4.181 191 3HZ LYS 20 HZ2 LYS 20 -1.604 7.601 4.782 192 H CYS 21 HN CYS 21 2.583 5.914 -0.450 193 HA CYS 21 HA CYS 21 -0.316 5.764 -0.503 194 1HB CYS 21 HB2 CYS 21 1.782 6.316 -2.602 195 2HB CYS 21 HB1 CYS 21 0.054 6.404 -2.866 196 H CYS 22 HN CYS 22 2.194 4.194 -2.538 197 HA CYS 22 HA CYS 22 0.446 2.451 -3.876 198 1HB CYS 22 HB2 CYS 22 2.430 2.428 -4.880 199 2HB CYS 22 HB1 CYS 22 3.352 2.562 -3.390 200 H TYR 23 HN TYR 23 2.264 2.112 -0.860 201 HA TYR 23 HA TYR 23 1.382 -0.532 -0.209 202 1HB TYR 23 HB2 TYR 23 2.292 1.794 1.502 203 2HB TYR 23 HB1 TYR 23 1.836 0.238 2.192 204 HD1 TYR 23 HD2 TYR 23 4.096 1.844 -0.264 205 HD2 TYR 23 HD1 TYR 23 3.358 -1.587 2.187 206 HE1 TYR 23 HE2 TYR 23 6.354 0.995 -0.795 207 HE2 TYR 23 HE1 TYR 23 5.618 -2.458 1.652 208 HH TYR 23 HH TYR 23 7.899 -1.309 0.908 209 H ASP 24 HN ASP 24 0.031 2.677 0.110 210 HA ASP 24 HA ASP 24 -2.106 2.172 1.903 211 1HB ASP 24 HB2 ASP 24 -1.373 4.274 0.008 212 2HB ASP 24 HB1 ASP 24 -3.106 3.925 -0.075 213 H GLY 25 HN GLY 25 -1.908 1.855 -1.600 214 1HA GLY 25 HA2 GLY 25 -4.572 0.941 -2.057 215 2HA GLY 25 HA1 GLY 25 -3.195 0.658 -3.114 216 H ALA 26 HN ALA 26 -1.500 -0.902 -1.752 217 HA ALA 26 HA ALA 26 -3.005 -3.425 -1.587 218 1HB ALA 26 HB1 ALA 26 -0.485 -2.785 -2.459 219 2HB ALA 26 HB3 ALA 26 -0.149 -3.473 -0.871 220 3HB ALA 26 HB2 ALA 26 -1.025 -4.419 -2.074 221 H SER 27 HN SER 27 -2.654 -1.085 0.656 222 HA SER 27 HA SER 27 -1.991 -2.917 2.884 223 1HB SER 27 HB2 SER 27 -2.107 0.032 2.603 224 2HB SER 27 HB1 SER 27 -2.226 -0.687 4.192 225 HG SER 27 HG SER 27 -0.254 -1.782 3.722 226 H VAL 28 HN VAL 28 -4.458 -0.463 2.096 227 HA VAL 28 HA VAL 28 -6.189 -1.278 4.244 228 HB VAL 28 HB VAL 28 -7.390 -0.107 1.769 229 1HG1 VAL 28 HG13 VAL 28 -7.613 0.190 4.760 230 2HG1 VAL 28 HG12 VAL 28 -8.249 1.444 3.695 231 3HG1 VAL 28 HG11 VAL 28 -8.874 -0.200 3.593 232 1HG2 VAL 28 HG22 VAL 28 -5.018 0.956 3.143 233 2HG2 VAL 28 HG21 VAL 28 -5.725 1.433 1.599 234 3HG2 VAL 28 HG23 VAL 28 -6.362 2.095 3.105 235 H ASN 29 HN ASN 29 -8.597 -2.013 3.476 236 HA ASN 29 HA ASN 29 -8.636 -4.701 3.013 237 1HB ASN 29 HB2 ASN 29 -10.550 -2.622 2.851 238 2HB ASN 29 HB1 ASN 29 -10.754 -3.592 1.399 239 1HD2 ASN 29 HD22 ASN 29 -11.056 -6.573 3.781 240 2HD2 ASN 29 HD21 ASN 29 -9.801 -6.105 2.743 241 H ASN 30 HN ASN 30 -9.047 -6.033 1.074 242 HA ASN 30 HA ASN 30 -7.162 -5.889 -0.922 243 1HB ASN 30 HB2 ASN 30 -9.780 -7.184 -0.640 244 2HB ASN 30 HB1 ASN 30 -9.336 -6.876 -2.318 245 1HD2 ASN 30 HD22 ASN 30 -6.215 -8.838 -1.887 246 2HD2 ASN 30 HD21 ASN 30 -6.617 -7.268 -2.391 247 H ASP 31 HN ASP 31 -10.069 -3.946 -0.666 248 HA ASP 31 HA ASP 31 -9.086 -2.324 -2.918 249 1HB ASP 31 HB2 ASP 31 -11.425 -2.333 -3.939 250 2HB ASP 31 HB1 ASP 31 -10.483 -3.810 -4.152 251 H GLU 32 HN GLU 32 -9.937 -2.227 0.153 252 HA GLU 32 HA GLU 32 -12.098 -0.439 0.407 253 1HB GLU 32 HB2 GLU 32 -11.305 -1.118 2.472 254 2HB GLU 32 HB1 GLU 32 -9.615 -0.876 2.029 255 1HG GLU 32 HG2 GLU 32 -9.693 1.393 2.501 256 2HG GLU 32 HG1 GLU 32 -11.410 1.519 2.120 257 H THR 33 HN THR 33 -8.745 0.734 0.728 258 HA THR 33 HA THR 33 -9.505 3.339 -0.352 259 HB THR 33 HB THR 33 -6.681 2.347 0.061 260 HG1 THR 33 HG1 THR 33 -8.029 1.970 1.919 261 1HG2 THR 33 HG22 THR 33 -8.072 5.009 -0.068 262 2HG2 THR 33 HG21 THR 33 -6.531 4.846 0.775 263 3HG2 THR 33 HG23 THR 33 -6.642 4.465 -0.944 264 H CYS 34 HN CYS 34 -7.638 0.531 -1.484 265 HA CYS 34 HA CYS 34 -6.452 1.203 -3.829 266 1HB CYS 34 HB2 CYS 34 -7.216 -1.138 -2.887 267 2HB CYS 34 HB1 CYS 34 -8.566 -0.925 -3.998 268 H GLU 35 HN GLU 35 -9.954 1.124 -3.337 269 HA GLU 35 HA GLU 35 -10.434 2.098 -6.092 270 1HB GLU 35 HB2 GLU 35 -11.843 0.290 -4.987 271 2HB GLU 35 HB1 GLU 35 -12.499 1.559 -3.952 272 1HG GLU 35 HG2 GLU 35 -13.952 2.102 -5.581 273 2HG GLU 35 HG1 GLU 35 -12.594 2.534 -6.619 274 H GLN 36 HN GLN 36 -11.564 3.100 -2.829 275 HA GLN 36 HA GLN 36 -12.645 5.562 -3.404 276 1HB GLN 36 HB2 GLN 36 -12.265 4.492 -1.101 277 2HB GLN 36 HB1 GLN 36 -10.673 5.249 -1.134 278 1HG GLN 36 HG2 GLN 36 -11.852 6.943 -0.111 279 2HG GLN 36 HG1 GLN 36 -12.122 7.391 -1.794 280 1HE2 GLN 36 HE22 GLN 36 -15.416 7.167 0.079 281 2HE2 GLN 36 HE21 GLN 36 -13.965 7.981 0.419 282 H ARG 37 HN ARG 37 -9.286 4.692 -3.589 283 HA ARG 37 HA ARG 37 -8.511 7.485 -4.164 284 1HB ARG 37 HB2 ARG 37 -7.213 5.183 -2.958 285 2HB ARG 37 HB1 ARG 37 -6.236 5.849 -4.266 286 1HG ARG 37 HG2 ARG 37 -5.870 6.843 -1.927 287 2HG ARG 37 HG1 ARG 37 -6.137 7.986 -3.239 288 1HD ARG 37 HD2 ARG 37 -8.257 8.555 -2.501 289 2HD ARG 37 HD1 ARG 37 -8.525 6.985 -1.743 290 HE ARG 37 HE ARG 37 -6.491 8.108 -0.235 291 1HH1 ARG 37 HH21 ARG 37 -9.646 9.053 -1.278 292 2HH1 ARG 37 HH22 ARG 37 -9.953 10.032 0.116 293 1HH2 ARG 37 HH12 ARG 37 -6.884 9.382 1.589 294 2HH2 ARG 37 HH11 ARG 37 -8.393 10.219 1.737 295 H ALA 38 HN ALA 38 -8.313 4.189 -5.597 296 HA ALA 38 HA ALA 38 -7.075 5.118 -8.035 297 1HB ALA 38 HB2 ALA 38 -7.056 2.739 -7.313 298 2HB ALA 38 HB1 ALA 38 -8.792 2.656 -7.602 299 3HB ALA 38 HB3 ALA 38 -7.687 2.928 -8.949 300 H ALA 39 HN ALA 39 -10.447 4.099 -7.409 301 HA ALA 39 HA ALA 39 -11.363 5.239 -9.925 302 1HB ALA 39 HB1 ALA 39 -12.853 4.171 -7.510 303 2HB ALA 39 HB3 ALA 39 -13.642 4.705 -8.994 304 3HB ALA 39 HB2 ALA 39 -12.547 3.324 -9.026 305 H ARG 40 HN ARG 40 -13.002 5.951 -6.884 306 HA ARG 40 HA ARG 40 -13.783 8.544 -7.483 307 1HB ARG 40 HB2 ARG 40 -13.195 7.103 -4.941 308 2HB ARG 40 HB1 ARG 40 -13.341 8.859 -4.846 309 1HG ARG 40 HG2 ARG 40 -15.579 8.657 -4.908 310 2HG ARG 40 HG1 ARG 40 -15.452 7.935 -6.513 311 1HD ARG 40 HD2 ARG 40 -15.762 5.824 -5.725 312 2HD ARG 40 HD1 ARG 40 -14.768 6.112 -4.297 313 HE ARG 40 HE ARG 40 -17.065 7.584 -3.812 314 1HH1 ARG 40 HH21 ARG 40 -16.319 4.323 -4.672 315 2HH1 ARG 40 HH22 ARG 40 -17.693 3.658 -3.855 316 1HH2 ARG 40 HH12 ARG 40 -18.859 6.726 -2.744 317 2HH2 ARG 40 HH11 ARG 40 -19.129 5.015 -2.765 318 H ILE 41 HN ILE 41 -12.247 9.806 -8.564 319 HA ILE 41 HA ILE 41 -9.958 10.718 -6.880 320 HB ILE 41 HB ILE 41 -9.913 9.704 -9.717 321 1HG1 ILE 41 HG12 ILE 41 -7.903 9.419 -7.470 322 2HG1 ILE 41 HG11 ILE 41 -9.263 8.312 -7.686 323 1HG2 ILE 41 HG22 ILE 41 -8.349 11.956 -8.557 324 2HG2 ILE 41 HG21 ILE 41 -7.450 10.772 -9.503 325 3HG2 ILE 41 HG23 ILE 41 -8.796 11.647 -10.234 326 1HD1 ILE 41 HD13 ILE 41 -8.468 7.926 -10.050 327 2HD1 ILE 41 HD12 ILE 41 -7.024 8.855 -9.651 328 3HD1 ILE 41 HD11 ILE 41 -7.358 7.342 -8.810 329 H SER 42 HN SER 42 -11.234 12.625 -6.427 330 HA SER 42 HA SER 42 -12.437 14.260 -8.436 331 1HB SER 42 HB2 SER 42 -12.529 14.365 -5.785 332 2HB SER 42 HB1 SER 42 -11.198 15.499 -6.002 333 HG SER 42 HG SER 42 -13.838 15.843 -6.426 334 H LEU 43 HN LEU 43 -9.287 14.645 -6.780 335 HA LEU 43 HA LEU 43 -8.301 16.029 -9.245 336 1HB LEU 43 HB2 LEU 43 -6.726 17.200 -7.503 337 2HB LEU 43 HB1 LEU 43 -8.378 17.790 -7.698 338 HG LEU 43 HG LEU 43 -9.090 16.367 -5.791 339 1HD1 LEU 43 HD12 LEU 43 -6.225 15.535 -5.985 340 2HD1 LEU 43 HD11 LEU 43 -6.956 15.618 -4.382 341 3HD1 LEU 43 HD13 LEU 43 -7.651 14.567 -5.615 342 1HD2 LEU 43 HD22 LEU 43 -7.519 18.723 -5.721 343 2HD2 LEU 43 HD21 LEU 43 -8.648 18.154 -4.491 344 3HD2 LEU 43 HD23 LEU 43 -6.945 17.705 -4.401 345 H GLY 44 HN GLY 44 -8.042 13.335 -7.336 346 1HA GLY 44 HA2 GLY 44 -6.390 11.712 -7.021 347 2HA GLY 44 HA1 GLY 44 -5.812 12.214 -8.608 348 HA PRO 45 HA PRO 45 -3.514 14.656 -4.907 349 1HB PRO 45 HB2 PRO 45 -2.944 12.494 -3.148 350 2HB PRO 45 HB1 PRO 45 -3.937 13.916 -2.813 351 1HG PRO 45 HG2 PRO 45 -4.772 11.179 -3.281 352 2HG PRO 45 HG1 PRO 45 -5.726 12.551 -2.710 353 1HD PRO 45 HD2 PRO 45 -5.934 11.322 -5.218 354 2HD PRO 45 HD1 PRO 45 -6.631 12.879 -4.754 355 H ARG 46 HN ARG 46 -2.762 11.164 -4.890 356 HA ARG 46 HA ARG 46 -0.758 11.226 -6.902 357 1HB ARG 46 HB2 ARG 46 0.318 12.752 -5.164 358 2HB ARG 46 HB1 ARG 46 0.425 11.339 -4.115 359 1HG ARG 46 HG2 ARG 46 2.521 11.430 -5.235 360 2HG ARG 46 HG1 ARG 46 1.610 10.174 -6.075 361 1HD ARG 46 HD2 ARG 46 0.847 12.051 -7.672 362 2HD ARG 46 HD1 ARG 46 2.152 13.008 -6.968 363 HE ARG 46 HE ARG 46 3.393 10.638 -7.687 364 1HH1 ARG 46 HH21 ARG 46 1.389 12.980 -9.250 365 2HH1 ARG 46 HH22 ARG 46 2.101 12.738 -10.809 366 1HH2 ARG 46 HH12 ARG 46 4.322 10.312 -9.719 367 2HH2 ARG 46 HH11 ARG 46 3.761 11.233 -11.074 368 H CYS 47 HN CYS 47 -1.616 9.877 -3.713 369 HA CYS 47 HA CYS 47 -0.451 7.317 -4.165 370 1HB CYS 47 HB2 CYS 47 -2.967 7.663 -2.531 371 2HB CYS 47 HB1 CYS 47 -1.657 6.547 -2.258 372 H ILE 48 HN ILE 48 -3.365 8.772 -5.388 373 HA ILE 48 HA ILE 48 -4.644 6.279 -5.976 374 HB ILE 48 HB ILE 48 -6.069 7.589 -7.492 375 1HG1 ILE 48 HG12 ILE 48 -5.472 10.172 -7.438 376 2HG1 ILE 48 HG11 ILE 48 -3.832 9.569 -7.248 377 1HG2 ILE 48 HG23 ILE 48 -5.368 9.055 -4.939 378 2HG2 ILE 48 HG22 ILE 48 -6.851 9.290 -5.862 379 3HG2 ILE 48 HG21 ILE 48 -6.525 7.736 -5.099 380 1HD1 ILE 48 HD12 ILE 48 -5.108 8.037 -9.298 381 2HD1 ILE 48 HD11 ILE 48 -5.383 9.745 -9.640 382 3HD1 ILE 48 HD13 ILE 48 -3.739 9.136 -9.457 383 H LYS 49 HN LYS 49 -2.659 8.447 -8.071 384 HA LYS 49 HA LYS 49 -2.663 6.596 -10.273 385 1HB LYS 49 HB2 LYS 49 -1.727 9.182 -9.835 386 2HB LYS 49 HB1 LYS 49 -0.256 8.242 -10.086 387 1HG LYS 49 HG2 LYS 49 -1.352 7.256 -12.144 388 2HG LYS 49 HG1 LYS 49 -2.645 8.437 -11.936 389 1HD LYS 49 HD2 LYS 49 -0.129 9.797 -11.735 390 2HD LYS 49 HD1 LYS 49 -0.124 8.819 -13.203 391 1HE LYS 49 HE2 LYS 49 -2.618 9.854 -13.357 392 2HE LYS 49 HE1 LYS 49 -1.807 11.162 -12.496 393 1HZ LYS 49 HZ3 LYS 49 -0.855 9.937 -15.029 394 2HZ LYS 49 HZ2 LYS 49 -1.677 11.419 -14.910 395 3HZ LYS 49 HZ1 LYS 49 -0.136 11.240 -14.217 396 H ALA 50 HN ALA 50 -0.031 7.391 -7.963 397 HA ALA 50 HA ALA 50 1.758 5.330 -8.680 398 1HB ALA 50 HB2 ALA 50 2.253 7.097 -6.967 399 2HB ALA 50 HB1 ALA 50 1.168 6.263 -5.854 400 3HB ALA 50 HB3 ALA 50 2.642 5.469 -6.405 401 H PHE 51 HN PHE 51 -0.540 5.301 -6.015 402 HA PHE 51 HA PHE 51 -0.182 2.525 -5.624 403 1HB PHE 51 HB2 PHE 51 -1.201 2.944 -3.722 404 2HB PHE 51 HB1 PHE 51 -1.201 4.614 -4.162 405 HD1 PHE 51 HD1 PHE 51 -3.548 4.076 -6.338 406 HD2 PHE 51 HD2 PHE 51 -2.988 3.223 -2.197 407 HE1 PHE 51 HE1 PHE 51 -5.992 3.984 -6.021 408 HE2 PHE 51 HE2 PHE 51 -5.431 3.146 -1.871 409 HZ PHE 51 HZ PHE 51 -6.937 3.527 -3.796 410 H THR 52 HN THR 52 -1.933 4.172 -8.004 411 HA THR 52 HA THR 52 -4.144 2.307 -8.285 412 HB THR 52 HB THR 52 -3.032 4.570 -9.880 413 HG1 THR 52 HG1 THR 52 -5.060 5.228 -9.686 414 1HG2 THR 52 HG23 THR 52 -4.504 2.246 -11.139 415 2HG2 THR 52 HG22 THR 52 -4.534 3.867 -11.833 416 3HG2 THR 52 HG21 THR 52 -3.005 3.003 -11.679 417 H GLU 53 HN GLU 53 -1.142 2.814 -10.186 418 HA GLU 53 HA GLU 53 -1.416 0.262 -11.546 419 1HB GLU 53 HB2 GLU 53 1.264 1.547 -11.081 420 2HB GLU 53 HB1 GLU 53 0.651 0.747 -12.528 421 1HG GLU 53 HG2 GLU 53 -1.076 2.706 -12.582 422 2HG GLU 53 HG1 GLU 53 0.074 3.523 -11.522 423 H CYS 54 HN CYS 54 0.117 1.315 -8.563 424 HA CYS 54 HA CYS 54 1.491 -1.168 -8.047 425 1HB CYS 54 HB2 CYS 54 2.275 0.625 -6.797 426 2HB CYS 54 HB1 CYS 54 0.662 1.225 -6.421 427 H CYS 55 HN CYS 55 -1.181 0.070 -6.072 428 HA CYS 55 HA CYS 55 -2.125 -2.242 -4.968 429 1HB CYS 55 HB2 CYS 55 -3.081 0.123 -4.777 430 2HB CYS 55 HB1 CYS 55 -4.056 -0.258 -6.188 431 H VAL 56 HN VAL 56 -3.245 -1.073 -8.195 432 HA VAL 56 HA VAL 56 -4.904 -3.261 -8.766 433 HB VAL 56 HB VAL 56 -4.621 -2.765 -11.142 434 1HG1 VAL 56 HG12 VAL 56 -4.966 -0.613 -9.120 435 2HG1 VAL 56 HG11 VAL 56 -4.769 -0.100 -10.796 436 3HG1 VAL 56 HG13 VAL 56 -6.085 -1.188 -10.356 437 1HG2 VAL 56 HG23 VAL 56 -2.179 -1.348 -10.133 438 2HG2 VAL 56 HG22 VAL 56 -2.338 -2.430 -11.513 439 3HG2 VAL 56 HG21 VAL 56 -2.968 -0.785 -11.604 440 H VAL 57 HN VAL 57 -1.399 -3.000 -9.777 441 HA VAL 57 HA VAL 57 -1.288 -5.652 -10.763 442 HB VAL 57 HB VAL 57 0.667 -4.224 -11.001 443 1HG1 VAL 57 HG13 VAL 57 0.597 -4.284 -7.992 444 2HG1 VAL 57 HG12 VAL 57 2.124 -4.035 -8.833 445 3HG1 VAL 57 HG11 VAL 57 0.797 -2.901 -9.062 446 1HG2 VAL 57 HG22 VAL 57 0.683 -6.908 -9.944 447 2HG2 VAL 57 HG21 VAL 57 1.769 -6.190 -11.132 448 3HG2 VAL 57 HG23 VAL 57 2.130 -6.055 -9.411 449 H ALA 58 HN ALA 58 -1.172 -4.491 -7.430 450 HA ALA 58 HA ALA 58 -0.414 -6.858 -6.117 451 1HB ALA 58 HB2 ALA 58 -1.317 -4.401 -5.296 452 2HB ALA 58 HB1 ALA 58 -2.691 -5.427 -4.887 453 3HB ALA 58 HB3 ALA 58 -1.097 -5.781 -4.221 454 H SER 59 HN SER 59 -3.659 -5.769 -7.077 455 HA SER 59 HA SER 59 -4.969 -8.242 -6.358 456 1HB SER 59 HB2 SER 59 -6.257 -6.833 -8.547 457 2HB SER 59 HB1 SER 59 -6.832 -7.095 -6.902 458 HG SER 59 HG SER 59 -6.113 -5.183 -6.351 459 H GLN 60 HN GLN 60 -4.597 -6.896 -9.628 460 HA GLN 60 HA GLN 60 -5.152 -9.093 -11.139 461 1HB GLN 60 HB2 GLN 60 -3.346 -6.785 -11.492 462 2HB GLN 60 HB1 GLN 60 -3.006 -8.160 -12.543 463 1HG GLN 60 HG2 GLN 60 -4.629 -6.604 -13.585 464 2HG GLN 60 HG1 GLN 60 -5.346 -8.189 -13.293 465 1HE2 GLN 60 HE22 GLN 60 -6.887 -4.934 -11.448 466 2HE2 GLN 60 HE21 GLN 60 -5.613 -4.808 -12.562 467 H LEU 61 HN LEU 61 -1.719 -8.378 -10.368 468 HA LEU 61 HA LEU 61 -0.835 -10.989 -11.096 469 1HB LEU 61 HB2 LEU 61 1.249 -10.141 -10.765 470 2HB LEU 61 HB1 LEU 61 0.408 -8.617 -10.570 471 HG LEU 61 HG LEU 61 0.229 -9.369 -8.075 472 1HD1 LEU 61 HD12 LEU 61 2.395 -11.116 -9.187 473 2HD1 LEU 61 HD11 LEU 61 2.467 -10.562 -7.515 474 3HD1 LEU 61 HD13 LEU 61 1.107 -11.542 -8.060 475 1HD2 LEU 61 HD23 LEU 61 2.411 -8.083 -9.591 476 2HD2 LEU 61 HD22 LEU 61 1.457 -7.454 -8.248 477 3HD2 LEU 61 HD21 LEU 61 2.802 -8.551 -7.937 478 H ARG 62 HN ARG 62 -1.563 -9.764 -7.761 479 HA ARG 62 HA ARG 62 -0.822 -12.368 -6.715 480 1HB ARG 62 HB2 ARG 62 -2.590 -10.283 -5.397 481 2HB ARG 62 HB1 ARG 62 -1.755 -11.609 -4.593 482 1HG ARG 62 HG2 ARG 62 0.166 -10.151 -6.137 483 2HG ARG 62 HG1 ARG 62 -0.751 -9.004 -5.160 484 1HD ARG 62 HD2 ARG 62 0.002 -11.459 -3.732 485 2HD ARG 62 HD1 ARG 62 1.380 -10.490 -4.245 486 HE ARG 62 HE ARG 62 -0.308 -9.910 -2.037 487 1HH1 ARG 62 HH21 ARG 62 0.994 -8.323 -4.826 488 2HH1 ARG 62 HH22 ARG 62 0.715 -6.736 -4.196 489 1HH2 ARG 62 HH12 ARG 62 -0.649 -7.850 -1.218 490 2HH2 ARG 62 HH11 ARG 62 -0.204 -6.468 -2.163 491 H ALA 63 HN ALA 63 -4.061 -10.843 -6.708 492 HA ALA 63 HA ALA 63 -5.685 -12.934 -6.104 493 1HB ALA 63 HB2 ALA 63 -6.275 -10.566 -7.040 494 2HB ALA 63 HB1 ALA 63 -6.347 -11.389 -8.598 495 3HB ALA 63 HB3 ALA 63 -7.415 -11.889 -7.286 496 H ASN 64 HN ASN 64 -3.842 -12.656 -9.105 497 HA ASN 64 HA ASN 64 -3.898 -15.462 -9.589 498 1HB ASN 64 HB2 ASN 64 -6.327 -14.257 -10.263 499 2HB ASN 64 HB1 ASN 64 -5.476 -14.417 -11.802 500 1HD2 ASN 64 HD22 ASN 64 -6.844 -17.716 -11.758 501 2HD2 ASN 64 HD21 ASN 64 -7.018 -16.159 -12.411 502 H ILE 65 HN ILE 65 -1.679 -14.196 -9.782 503 HA ILE 65 HA ILE 65 -1.023 -12.593 -11.989 504 HB ILE 65 HB ILE 65 1.162 -14.304 -11.889 505 1HG1 ILE 65 HG12 ILE 65 0.299 -13.959 -9.049 506 2HG1 ILE 65 HG11 ILE 65 -0.232 -15.387 -9.940 507 1HG2 ILE 65 HG22 ILE 65 0.778 -11.709 -11.562 508 2HG2 ILE 65 HG21 ILE 65 0.862 -12.131 -9.860 509 3HG2 ILE 65 HG23 ILE 65 2.223 -12.479 -10.911 510 1HD1 ILE 65 HD12 ILE 65 2.666 -14.523 -9.752 511 2HD1 ILE 65 HD11 ILE 65 1.931 -15.689 -8.651 512 3HD1 ILE 65 HD13 ILE 65 2.042 -16.052 -10.373 513 H SER 66 HN SER 66 -2.172 -13.136 -13.851 514 HA SER 66 HA SER 66 -1.218 -15.609 -15.224 515 1HB SER 66 HB2 SER 66 -3.637 -15.537 -16.270 516 2HB SER 66 HB1 SER 66 -3.386 -16.297 -14.701 517 HG SER 66 HG SER 66 -5.145 -14.740 -14.817 518 H HIS 67 HN HIS 67 -2.745 -12.414 -15.543 519 HA HIS 67 HA HIS 67 -2.029 -12.272 -18.394 520 1HB HIS 67 HB2 HIS 67 -3.275 -10.263 -16.494 521 2HB HIS 67 HB1 HIS 67 -2.982 -9.949 -18.205 522 HD1 HIS 67 HD1 HIS 67 -5.878 -9.989 -17.132 523 HD2 HIS 67 HD2 HIS 67 -3.969 -13.323 -18.750 524 HE1 HIS 67 HE1 HIS 67 -7.709 -11.554 -17.913 525 H LYS 68 HN LYS 68 -1.193 -9.601 -18.606 526 HA LYS 68 HA LYS 68 1.605 -9.866 -17.856 527 1HB LYS 68 HB2 LYS 68 0.115 -7.485 -19.003 528 2HB LYS 68 HB1 LYS 68 1.867 -7.671 -18.935 529 1HG LYS 68 HG2 LYS 68 1.036 -10.024 -20.141 530 2HG LYS 68 HG1 LYS 68 -0.051 -8.816 -20.827 531 1HD LYS 68 HD2 LYS 68 2.844 -8.115 -20.644 532 2HD LYS 68 HD1 LYS 68 2.364 -9.281 -21.878 533 1HE LYS 68 HE2 LYS 68 0.446 -7.194 -21.946 534 2HE LYS 68 HE1 LYS 68 2.031 -6.422 -21.888 535 1HZ LYS 68 HZ3 LYS 68 1.899 -8.690 -23.656 536 2HZ LYS 68 HZ2 LYS 68 0.870 -7.416 -24.110 537 3HZ LYS 68 HZ1 LYS 68 2.537 -7.141 -23.925 538 H ASP 69 HN ASP 69 2.766 -8.382 -16.454 539 HA ASP 69 HA ASP 69 1.323 -7.765 -14.015 540 1HB ASP 69 HB2 ASP 69 3.493 -6.841 -13.253 541 2HB ASP 69 HB1 ASP 69 3.694 -8.437 -13.977 542 H MET 70 HN MET 70 2.532 -5.248 -13.329 543 HA MET 70 HA MET 70 1.716 -3.321 -15.387 544 1HB MET 70 HB2 MET 70 -0.304 -4.229 -13.811 545 2HB MET 70 HB1 MET 70 0.279 -2.883 -12.831 546 1HG MET 70 HG2 MET 70 0.273 -1.725 -15.289 547 2HG MET 70 HG1 MET 70 -1.071 -2.852 -15.467 548 1HE MET 70 HE2 MET 70 0.089 0.398 -14.545 549 2HE MET 70 HE1 MET 70 -1.351 0.389 -15.560 550 3HE MET 70 HE3 MET 70 -1.386 1.177 -13.977 551 H CYS 71 HN CYS 71 1.831 -3.115 -11.823 552 HA CYS 71 HA CYS 71 4.358 -1.579 -12.010 553 1HB CYS 71 HB2 CYS 71 1.691 -0.475 -11.420 554 2HB CYS 71 HB1 CYS 71 2.933 -0.014 -10.253 555 1H CYS 72 HN3 CYS 72 4.301 4.188 -11.883 556 2H CYS 72 HN2 CYS 72 2.889 3.256 -12.038 557 3H CYS 72 HN1 CYS 72 2.784 4.894 -11.601 558 HA CYS 72 HA CYS 72 2.446 3.611 -9.639 559 1HB CYS 72 HB2 CYS 72 4.827 2.342 -9.110 560 2HB CYS 72 HB1 CYS 72 3.340 1.561 -9.616 561 H LEU 73 HN LEU 73 5.946 3.995 -10.179 562 HA LEU 73 HA LEU 73 6.616 5.242 -7.831 563 1HB LEU 73 HB2 LEU 73 8.530 6.193 -8.943 564 2HB LEU 73 HB1 LEU 73 8.186 4.653 -9.729 565 HG LEU 73 HG LEU 73 6.652 6.742 -10.992 566 1HD1 LEU 73 HD11 LEU 73 9.595 7.245 -10.560 567 2HD1 LEU 73 HD13 LEU 73 8.771 7.847 -11.998 568 3HD1 LEU 73 HD12 LEU 73 8.252 8.376 -10.397 569 1HD2 LEU 73 HD23 LEU 73 8.272 4.446 -11.625 570 2HD2 LEU 73 HD22 LEU 73 7.070 5.253 -12.631 571 3HD2 LEU 73 HD21 LEU 73 8.748 5.794 -12.658 572 H GLY 74 HN GLY 74 6.846 7.496 -7.179 573 1HA GLY 74 HA2 GLY 74 4.645 9.175 -8.238 574 2HA GLY 74 HA1 GLY 74 5.518 9.452 -6.731 575 1HN DAR 75 HN ARG 75 8.147 9.067 -8.055 576 HA DAR 75 HA ARG 75 9.733 10.322 -9.264 577 1HB DAR 75 HB1 ARG 75 7.951 12.476 -8.094 578 2HB DAR 75 HB2 ARG 75 9.494 12.809 -8.882 579 1HG DAR 75 HG1 ARG 75 10.488 12.418 -6.897 580 2HG DAR 75 HG2 ARG 75 10.027 10.728 -7.073 581 1HD DAR 75 HD1 ARG 75 9.250 11.791 -4.912 582 2HD DAR 75 HD2 ARG 75 7.963 11.094 -5.891 583 HNE DAR 75 HE ARG 75 6.989 13.186 -5.995 584 1HH1 DAR 75 HH11 ARG 75 6.967 15.392 -6.399 585 2HH1 DAR 75 HH12 ARG 75 8.449 16.286 -6.355 586 1HH2 DAR 75 HH21 ARG 75 10.397 13.540 -5.552 587 2HH2 DAR 75 HH22 ARG 75 10.387 15.236 -5.890 No H/Q in entry = 587
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