NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505514 | 2ysl | 11234 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -30.824 43.596 -13.057 2 HA2 GLY 1 1HA GLY 1 -29.151 41.668 -12.316 3 HA3 GLY 1 2HA GLY 1 -29.378 42.491 -10.780 4 H SER 2 H SER 2 -30.314 39.870 -12.368 5 HA SER 2 HA SER 2 -32.548 39.365 -10.724 6 HB2 SER 2 1HB SER 2 -33.527 40.993 -12.427 7 HB3 SER 2 2HB SER 2 -33.306 39.719 -13.626 8 HG SER 2 HG SER 2 -34.558 38.894 -11.325 9 H SER 3 H SER 3 -33.150 37.217 -10.767 10 HA SER 3 HA SER 3 -32.595 35.424 -12.873 11 HB2 SER 3 1HB SER 3 -30.769 34.125 -11.716 12 HB3 SER 3 2HB SER 3 -30.269 35.695 -12.342 13 HG SER 3 HG SER 3 -31.186 35.511 -9.700 14 H GLY 4 H GLY 4 -32.672 33.062 -12.010 15 HA2 GLY 4 1HA GLY 4 -33.705 32.402 -9.517 16 HA3 GLY 4 2HA GLY 4 -35.082 32.801 -10.533 17 H SER 5 H SER 5 -34.331 30.241 -9.325 18 HA SER 5 HA SER 5 -34.598 28.623 -11.718 19 HB2 SER 5 1HB SER 5 -32.308 28.207 -9.781 20 HB3 SER 5 2HB SER 5 -32.756 27.092 -11.072 21 HG SER 5 HG SER 5 -32.529 29.325 -12.299 22 H SER 6 H SER 6 -35.165 26.377 -11.221 23 HA SER 6 HA SER 6 -35.753 25.518 -8.592 24 HB2 SER 6 1HB SER 6 -37.538 27.368 -9.191 25 HB3 SER 6 2HB SER 6 -38.288 26.050 -10.092 26 HG SER 6 HG SER 6 -38.244 26.498 -7.424 27 H GLY 7 H GLY 7 -36.058 23.355 -8.567 28 HA2 GLY 7 1HA GLY 7 -37.275 21.906 -10.701 29 HA3 GLY 7 2HA GLY 7 -35.524 21.778 -10.768 30 H MET 8 H MET 8 -37.696 19.791 -10.183 31 HA MET 8 HA MET 8 -36.390 18.606 -7.868 32 HB2 MET 8 1HB MET 8 -39.367 19.102 -8.003 33 HB3 MET 8 2HB MET 8 -38.593 18.041 -6.833 34 HG2 MET 8 1HG MET 8 -37.411 19.879 -5.856 35 HG3 MET 8 2HG MET 8 -37.981 20.971 -7.116 36 HE1 MET 8 3HE MET 8 -39.009 22.673 -4.817 37 HE2 MET 8 1HE MET 8 -39.310 22.612 -6.554 38 HE3 MET 8 2HE MET 8 -40.665 22.667 -5.426 39 H ALA 9 H ALA 9 -36.445 16.373 -7.845 40 HA ALA 9 HA ALA 9 -38.028 14.992 -9.875 41 HB1 ALA 9 3HB ALA 9 -35.060 15.184 -9.849 42 HB2 ALA 9 1HB ALA 9 -35.801 13.659 -10.335 43 HB3 ALA 9 2HB ALA 9 -36.180 15.143 -11.211 44 H SER 10 H SER 10 -37.601 12.527 -9.665 45 HA SER 10 HA SER 10 -37.240 11.825 -6.830 46 HB2 SER 10 1HB SER 10 -39.413 10.773 -8.659 47 HB3 SER 10 2HB SER 10 -39.126 10.251 -6.999 48 HG SER 10 HG SER 10 -40.116 11.970 -6.303 49 H GLY 11 H GLY 11 -37.444 10.574 -10.152 50 HA2 GLY 11 1HA GLY 11 -36.161 8.997 -11.229 51 HA3 GLY 11 2HA GLY 11 -35.035 9.087 -9.883 52 H GLN 12 H GLN 12 -35.203 6.682 -10.830 53 HA GLN 12 HA GLN 12 -36.917 5.248 -8.921 54 HB2 GLN 12 1HB GLN 12 -36.672 4.852 -11.869 55 HB3 GLN 12 2HB GLN 12 -36.904 3.436 -10.852 56 HG2 GLN 12 1HG GLN 12 -38.976 4.269 -10.030 57 HG3 GLN 12 2HG GLN 12 -38.711 5.837 -10.790 58 HE21 GLN 12 1HE2 GLN 12 -41.024 4.781 -11.352 59 HE22 GLN 12 2HE2 GLN 12 -41.072 4.091 -12.935 60 H PHE 13 H PHE 13 -36.026 3.459 -7.960 61 HA PHE 13 HA PHE 13 -33.139 3.192 -8.252 62 HB2 PHE 13 1HB PHE 13 -33.753 3.387 -5.991 63 HB3 PHE 13 2HB PHE 13 -35.122 2.295 -6.176 64 HD1 PHE 13 2HD PHE 13 -31.408 2.374 -6.288 65 HD2 PHE 13 1HD PHE 13 -34.915 0.065 -5.591 66 HE1 PHE 13 2HE PHE 13 -30.016 0.504 -5.499 67 HE2 PHE 13 1HE PHE 13 -33.529 -1.808 -4.800 68 HZ PHE 13 HZ PHE 13 -31.077 -1.591 -4.755 69 H VAL 14 H VAL 14 -32.088 1.275 -8.734 70 HA VAL 14 HA VAL 14 -33.783 -0.789 -9.976 71 HB VAL 14 HB VAL 14 -31.711 -1.414 -11.252 72 HG11 VAL 14 1HG1 VAL 14 -33.369 0.964 -11.576 73 HG12 VAL 14 2HG1 VAL 14 -31.835 1.055 -12.443 74 HG13 VAL 14 3HG1 VAL 14 -32.940 -0.287 -12.742 75 HG21 VAL 14 3HG2 VAL 14 -29.744 -0.397 -10.940 76 HG22 VAL 14 1HG2 VAL 14 -30.483 1.205 -10.905 77 HG23 VAL 14 2HG2 VAL 14 -30.439 0.222 -9.441 78 H ASN 15 H ASN 15 -33.591 -2.886 -9.379 79 HA ASN 15 HA ASN 15 -31.735 -3.462 -7.169 80 HB2 ASN 15 1HB ASN 15 -33.306 -5.316 -6.605 81 HB3 ASN 15 2HB ASN 15 -34.045 -3.720 -6.506 82 HD21 ASN 15 1HD2 ASN 15 -34.928 -6.612 -7.137 83 HD22 ASN 15 2HD2 ASN 15 -35.962 -6.408 -8.507 84 H LYS 16 H LYS 16 -29.941 -4.106 -8.320 85 HA LYS 16 HA LYS 16 -30.211 -6.678 -9.707 86 HB2 LYS 16 1HB LYS 16 -28.619 -5.966 -11.427 87 HB3 LYS 16 2HB LYS 16 -30.057 -4.954 -11.437 88 HG2 LYS 16 1HG LYS 16 -28.903 -3.162 -10.384 89 HG3 LYS 16 2HG LYS 16 -27.502 -4.182 -10.052 90 HD2 LYS 16 1HD LYS 16 -26.787 -3.028 -11.913 91 HD3 LYS 16 2HD LYS 16 -27.473 -4.478 -12.651 92 HE2 LYS 16 1HE LYS 16 -29.244 -2.125 -12.214 93 HE3 LYS 16 2HE LYS 16 -28.074 -2.063 -13.531 94 HZ1 LYS 16 3HZ LYS 16 -30.540 -3.195 -13.650 95 HZ2 LYS 16 1HZ LYS 16 -29.525 -4.533 -13.446 96 HZ3 LYS 16 2HZ LYS 16 -29.277 -3.472 -14.740 97 H LEU 17 H LEU 17 -28.178 -7.884 -9.839 98 HA LEU 17 HA LEU 17 -26.616 -7.502 -7.408 99 HB2 LEU 17 1HB LEU 17 -27.675 -9.718 -8.317 100 HB3 LEU 17 2HB LEU 17 -26.211 -9.778 -9.296 101 HG LEU 17 HG LEU 17 -25.949 -9.421 -6.348 102 HD11 LEU 17 1HD1 LEU 17 -25.926 -12.205 -7.224 103 HD12 LEU 17 2HD1 LEU 17 -27.520 -11.454 -7.285 104 HD13 LEU 17 3HD1 LEU 17 -26.613 -11.475 -5.773 105 HD21 LEU 17 3HD2 LEU 17 -24.008 -9.318 -7.891 106 HD22 LEU 17 1HD2 LEU 17 -24.339 -10.986 -8.359 107 HD23 LEU 17 2HD2 LEU 17 -23.890 -10.610 -6.695 108 H GLN 18 H GLN 18 -24.755 -6.446 -7.462 109 HA GLN 18 HA GLN 18 -23.351 -6.142 -10.010 110 HB2 GLN 18 1HB GLN 18 -23.182 -4.677 -7.383 111 HB3 GLN 18 2HB GLN 18 -21.997 -4.446 -8.661 112 HG2 GLN 18 1HG GLN 18 -23.566 -3.492 -10.105 113 HG3 GLN 18 2HG GLN 18 -24.929 -4.093 -9.161 114 HE21 GLN 18 1HE2 GLN 18 -23.616 -1.364 -10.016 115 HE22 GLN 18 2HE2 GLN 18 -23.804 -0.413 -8.586 116 H GLU 19 H GLU 19 -22.082 -7.882 -10.350 117 HA GLU 19 HA GLU 19 -20.468 -8.934 -8.153 118 HB2 GLU 19 1HB GLU 19 -19.983 -10.804 -9.622 119 HB3 GLU 19 2HB GLU 19 -21.718 -10.522 -9.567 120 HG2 GLU 19 1HG GLU 19 -21.794 -9.724 -11.729 121 HG3 GLU 19 2HG GLU 19 -20.083 -9.301 -11.744 122 H GLU 20 H GLU 20 -19.820 -6.347 -9.150 123 HA GLU 20 HA GLU 20 -17.375 -6.780 -10.703 124 HB2 GLU 20 1HB GLU 20 -18.743 -4.199 -9.921 125 HB3 GLU 20 2HB GLU 20 -17.340 -4.339 -10.970 126 HG2 GLU 20 1HG GLU 20 -18.876 -5.866 -12.395 127 HG3 GLU 20 2HG GLU 20 -20.179 -5.082 -11.505 128 H VAL 21 H VAL 21 -15.507 -6.979 -9.679 129 HA VAL 21 HA VAL 21 -15.022 -6.959 -7.015 130 HB VAL 21 HB VAL 21 -13.065 -5.984 -9.100 131 HG11 VAL 21 1HG1 VAL 21 -12.564 -5.634 -6.604 132 HG12 VAL 21 2HG1 VAL 21 -12.378 -7.388 -6.541 133 HG13 VAL 21 3HG1 VAL 21 -11.340 -6.426 -7.595 134 HG21 VAL 21 3HG2 VAL 21 -14.284 -8.546 -8.696 135 HG22 VAL 21 1HG2 VAL 21 -13.128 -8.044 -9.929 136 HG23 VAL 21 2HG2 VAL 21 -12.553 -8.653 -8.377 137 H ILE 22 H ILE 22 -14.389 -5.513 -5.442 138 HA ILE 22 HA ILE 22 -14.629 -2.660 -6.145 139 HB ILE 22 HB ILE 22 -15.402 -3.896 -3.502 140 HG12 ILE 22 1HG1 ILE 22 -17.239 -2.871 -5.673 141 HG13 ILE 22 2HG1 ILE 22 -16.870 -4.575 -5.431 142 HG21 ILE 22 1HG2 ILE 22 -15.953 -1.142 -4.595 143 HG22 ILE 22 2HG2 ILE 22 -16.340 -1.745 -2.984 144 HG23 ILE 22 3HG2 ILE 22 -14.657 -1.530 -3.463 145 HD11 ILE 22 3HD1 ILE 22 -17.978 -2.915 -3.206 146 HD12 ILE 22 1HD1 ILE 22 -19.030 -3.622 -4.432 147 HD13 ILE 22 2HD1 ILE 22 -18.025 -4.664 -3.424 148 H CYS 23 H CYS 23 -13.313 -1.186 -5.007 149 HA CYS 23 HA CYS 23 -10.732 -2.229 -4.318 150 HB2 CYS 23 1HB CYS 23 -11.108 -0.065 -5.535 151 HB3 CYS 23 2HB CYS 23 -11.730 0.610 -4.033 152 HA PRO 24 HA PRO 24 -11.701 -2.776 -0.006 153 HB2 PRO 24 1HB PRO 24 -9.213 -3.564 0.739 154 HB3 PRO 24 2HB PRO 24 -10.347 -4.630 -0.098 155 HG2 PRO 24 1HG PRO 24 -8.052 -3.060 -1.207 156 HG3 PRO 24 2HG PRO 24 -8.543 -4.726 -1.563 157 HD2 PRO 24 1HD PRO 24 -9.135 -2.652 -3.199 158 HD3 PRO 24 2HD PRO 24 -10.201 -4.059 -3.019 159 H ILE 25 H ILE 25 -10.075 -0.314 -1.428 160 HA ILE 25 HA ILE 25 -9.103 0.818 1.106 161 HB ILE 25 HB ILE 25 -8.511 1.684 -1.727 162 HG12 ILE 25 1HG1 ILE 25 -6.689 0.399 0.317 163 HG13 ILE 25 2HG1 ILE 25 -7.475 -0.476 -0.993 164 HG21 ILE 25 1HG2 ILE 25 -8.537 3.546 -0.112 165 HG22 ILE 25 2HG2 ILE 25 -7.345 2.690 0.865 166 HG23 ILE 25 3HG2 ILE 25 -6.926 3.235 -0.759 167 HD11 ILE 25 3HD1 ILE 25 -6.300 1.013 -2.598 168 HD12 ILE 25 1HD1 ILE 25 -5.419 1.703 -1.236 169 HD13 ILE 25 2HD1 ILE 25 -5.230 -0.005 -1.634 170 H CYS 26 H CYS 26 -10.772 1.862 -1.872 171 HA CYS 26 HA CYS 26 -12.055 4.008 -0.342 172 HB2 CYS 26 1HB CYS 26 -12.743 4.841 -2.616 173 HB3 CYS 26 2HB CYS 26 -11.004 4.798 -2.342 174 H LEU 27 H LEU 27 -12.682 0.959 -1.770 175 HA LEU 27 HA LEU 27 -14.538 -0.361 -1.784 176 HB2 LEU 27 1HB LEU 27 -16.019 1.826 -0.355 177 HB3 LEU 27 2HB LEU 27 -16.339 0.093 -0.332 178 HG LEU 27 HG LEU 27 -13.876 1.336 0.879 179 HD11 LEU 27 1HD1 LEU 27 -16.376 1.837 1.789 180 HD12 LEU 27 2HD1 LEU 27 -14.942 1.753 2.810 181 HD13 LEU 27 3HD1 LEU 27 -15.996 0.348 2.655 182 HD21 LEU 27 3HD2 LEU 27 -14.428 -0.989 2.196 183 HD22 LEU 27 1HD2 LEU 27 -13.276 -0.822 0.871 184 HD23 LEU 27 2HD2 LEU 27 -14.918 -1.379 0.546 185 H ASP 28 H ASP 28 -14.008 1.155 -4.012 186 HA ASP 28 HA ASP 28 -16.720 1.792 -4.970 187 HB2 ASP 28 1HB ASP 28 -14.185 3.149 -5.902 188 HB3 ASP 28 2HB ASP 28 -15.837 3.556 -6.358 189 H ILE 29 H ILE 29 -17.292 1.024 -6.967 190 HA ILE 29 HA ILE 29 -16.470 -1.325 -7.934 191 HB ILE 29 HB ILE 29 -17.264 1.008 -9.680 192 HG12 ILE 29 1HG1 ILE 29 -18.970 -1.211 -8.536 193 HG13 ILE 29 2HG1 ILE 29 -18.853 0.401 -7.838 194 HG21 ILE 29 1HG2 ILE 29 -17.432 -0.372 -11.458 195 HG22 ILE 29 2HG2 ILE 29 -16.203 -1.287 -10.586 196 HG23 ILE 29 3HG2 ILE 29 -17.898 -1.760 -10.475 197 HD11 ILE 29 3HD1 ILE 29 -20.408 1.145 -9.217 198 HD12 ILE 29 1HD1 ILE 29 -19.476 0.612 -10.616 199 HD13 ILE 29 2HD1 ILE 29 -20.603 -0.496 -9.833 200 H LEU 30 H LEU 30 -14.415 -1.975 -8.142 201 HA LEU 30 HA LEU 30 -12.250 -0.370 -8.920 202 HB2 LEU 30 1HB LEU 30 -12.736 -3.278 -8.606 203 HB3 LEU 30 2HB LEU 30 -11.321 -2.789 -9.536 204 HG LEU 30 HG LEU 30 -11.865 -1.886 -6.712 205 HD11 LEU 30 1HD1 LEU 30 -10.784 -4.393 -7.748 206 HD12 LEU 30 2HD1 LEU 30 -11.371 -3.988 -6.136 207 HD13 LEU 30 3HD1 LEU 30 -9.721 -3.575 -6.602 208 HD21 LEU 30 3HD2 LEU 30 -10.384 -0.492 -8.198 209 HD22 LEU 30 1HD2 LEU 30 -9.290 -1.873 -8.269 210 HD23 LEU 30 2HD2 LEU 30 -9.630 -1.097 -6.722 211 H GLN 31 H GLN 31 -12.509 0.727 -10.813 212 HA GLN 31 HA GLN 31 -13.466 -0.537 -13.202 213 HB2 GLN 31 1HB GLN 31 -13.604 1.965 -12.500 214 HB3 GLN 31 2HB GLN 31 -11.980 2.069 -13.167 215 HG2 GLN 31 1HG GLN 31 -14.530 1.378 -14.589 216 HG3 GLN 31 2HG GLN 31 -13.447 2.738 -14.879 217 HE21 GLN 31 1HE2 GLN 31 -14.300 -0.362 -15.808 218 HE22 GLN 31 2HE2 GLN 31 -12.942 -0.716 -16.815 219 H LYS 32 H LYS 32 -10.336 0.242 -11.833 220 HA LYS 32 HA LYS 32 -9.075 -1.272 -14.014 221 HB2 LYS 32 1HB LYS 32 -7.872 1.196 -12.754 222 HB3 LYS 32 2HB LYS 32 -7.220 0.267 -14.098 223 HG2 LYS 32 1HG LYS 32 -8.155 1.977 -15.256 224 HG3 LYS 32 2HG LYS 32 -9.548 0.895 -15.186 225 HD2 LYS 32 1HD LYS 32 -10.539 2.822 -14.470 226 HD3 LYS 32 2HD LYS 32 -9.977 2.198 -12.918 227 HE2 LYS 32 1HE LYS 32 -7.948 3.582 -13.129 228 HE3 LYS 32 2HE LYS 32 -8.572 4.237 -14.642 229 HZ1 LYS 32 3HZ LYS 32 -9.917 4.488 -12.006 230 HZ2 LYS 32 1HZ LYS 32 -10.424 5.185 -13.462 231 HZ3 LYS 32 2HZ LYS 32 -8.986 5.697 -12.735 232 HA PRO 33 HA PRO 33 -7.915 -3.081 -9.936 233 HB2 PRO 33 1HB PRO 33 -8.011 -5.650 -10.809 234 HB3 PRO 33 2HB PRO 33 -9.437 -4.777 -10.234 235 HG2 PRO 33 1HG PRO 33 -8.527 -5.277 -13.042 236 HG3 PRO 33 2HG PRO 33 -10.161 -5.379 -12.361 237 HD2 PRO 33 1HD PRO 33 -9.308 -3.242 -13.788 238 HD3 PRO 33 2HD PRO 33 -10.482 -3.099 -12.463 239 H VAL 34 H VAL 34 -5.799 -2.872 -9.572 240 HA VAL 34 HA VAL 34 -3.903 -3.903 -11.573 241 HB VAL 34 HB VAL 34 -3.452 -1.866 -9.387 242 HG11 VAL 34 1HG1 VAL 34 -1.440 -3.143 -9.764 243 HG12 VAL 34 2HG1 VAL 34 -1.588 -2.924 -11.509 244 HG13 VAL 34 3HG1 VAL 34 -1.254 -1.538 -10.470 245 HG21 VAL 34 3HG2 VAL 34 -4.830 -1.272 -11.494 246 HG22 VAL 34 1HG2 VAL 34 -3.513 -0.204 -11.010 247 HG23 VAL 34 2HG2 VAL 34 -3.281 -1.347 -12.333 248 H THR 35 H THR 35 -3.342 -5.926 -11.063 249 HA THR 35 HA THR 35 -3.133 -6.779 -8.302 250 HB THR 35 HB THR 35 -2.539 -8.331 -10.829 251 HG1 THR 35 1HG THR 35 -4.632 -8.549 -10.972 252 HG21 THR 35 3HG2 THR 35 -3.385 -9.897 -8.576 253 HG22 THR 35 1HG2 THR 35 -1.980 -8.927 -8.138 254 HG23 THR 35 2HG2 THR 35 -1.902 -10.019 -9.521 255 H ILE 36 H ILE 36 -1.374 -5.820 -7.371 256 HA ILE 36 HA ILE 36 1.150 -5.550 -8.646 257 HB ILE 36 HB ILE 36 2.009 -5.000 -6.391 258 HG12 ILE 36 1HG1 ILE 36 -0.778 -5.818 -5.572 259 HG13 ILE 36 2HG1 ILE 36 0.752 -6.451 -4.976 260 HG21 ILE 36 1HG2 ILE 36 -0.552 -3.513 -6.580 261 HG22 ILE 36 2HG2 ILE 36 1.097 -2.914 -6.404 262 HG23 ILE 36 3HG2 ILE 36 0.526 -3.477 -7.975 263 HD11 ILE 36 3HD1 ILE 36 1.212 -4.400 -3.827 264 HD12 ILE 36 1HD1 ILE 36 -0.211 -3.636 -4.536 265 HD13 ILE 36 2HD1 ILE 36 -0.401 -4.958 -3.383 266 H ASP 37 H ASP 37 3.130 -6.426 -7.215 267 HA ASP 37 HA ASP 37 3.457 -9.096 -7.826 268 HB2 ASP 37 1HB ASP 37 4.828 -7.277 -5.871 269 HB3 ASP 37 2HB ASP 37 5.273 -8.979 -5.957 270 H CYS 38 H CYS 38 2.339 -7.648 -4.801 271 HA CYS 38 HA CYS 38 2.265 -9.995 -3.264 272 HB2 CYS 38 1HB CYS 38 1.192 -8.739 -1.656 273 HB3 CYS 38 2HB CYS 38 1.927 -7.461 -2.619 274 H GLY 39 H GLY 39 0.053 -8.683 -5.628 275 HA2 GLY 39 1HA GLY 39 -1.344 -10.318 -6.804 276 HA3 GLY 39 2HA GLY 39 -1.652 -11.065 -5.243 277 H HIS 40 H HIS 40 -2.299 -8.975 -3.647 278 HA HIS 40 HA HIS 40 -4.944 -8.565 -3.934 279 HB2 HIS 40 1HB HIS 40 -2.891 -6.639 -2.842 280 HB3 HIS 40 2HB HIS 40 -4.626 -6.385 -2.679 281 HD2 HIS 40 2HD HIS 40 -5.421 -9.473 -1.798 282 HE1 HIS 40 1HE HIS 40 -2.715 -8.757 1.390 283 HE2 HIS 40 2HE HIS 40 -4.545 -10.247 0.509 284 H ASN 41 H ASN 41 -6.319 -6.961 -4.786 285 HA ASN 41 HA ASN 41 -5.180 -5.534 -7.096 286 HB2 ASN 41 1HB ASN 41 -7.833 -6.856 -6.640 287 HB3 ASN 41 2HB ASN 41 -7.702 -5.540 -7.803 288 HD21 ASN 41 1HD2 ASN 41 -6.746 -8.790 -7.028 289 HD22 ASN 41 2HD2 ASN 41 -6.164 -9.208 -8.600 290 H PHE 42 H PHE 42 -5.315 -3.379 -7.175 291 HA PHE 42 HA PHE 42 -7.138 -2.025 -5.301 292 HB2 PHE 42 1HB PHE 42 -4.288 -1.250 -5.956 293 HB3 PHE 42 2HB PHE 42 -5.399 -0.277 -4.997 294 HD1 PHE 42 1HD PHE 42 -6.483 -1.571 -2.959 295 HD2 PHE 42 2HD PHE 42 -2.821 -2.624 -4.855 296 HE1 PHE 42 1HE PHE 42 -5.781 -2.771 -0.929 297 HE2 PHE 42 2HE PHE 42 -2.113 -3.826 -2.829 298 HZ PHE 42 HZ PHE 42 -3.594 -3.902 -0.862 299 H CYS 43 H CYS 43 -7.451 0.329 -5.911 300 HA CYS 43 HA CYS 43 -7.937 0.455 -8.796 301 HB2 CYS 43 1HB CYS 43 -9.727 1.829 -8.363 302 HB3 CYS 43 2HB CYS 43 -9.683 0.918 -6.857 303 H LEU 44 H LEU 44 -7.110 2.030 -10.096 304 HA LEU 44 HA LEU 44 -4.655 3.140 -9.603 305 HB2 LEU 44 1HB LEU 44 -5.547 3.030 -11.824 306 HB3 LEU 44 2HB LEU 44 -6.857 4.131 -11.402 307 HG LEU 44 HG LEU 44 -4.861 5.786 -10.923 308 HD11 LEU 44 1HD1 LEU 44 -3.000 4.409 -11.276 309 HD12 LEU 44 2HD1 LEU 44 -3.121 5.380 -12.742 310 HD13 LEU 44 3HD1 LEU 44 -3.684 3.709 -12.743 311 HD21 LEU 44 3HD2 LEU 44 -6.602 5.264 -13.113 312 HD22 LEU 44 1HD2 LEU 44 -5.040 5.780 -13.748 313 HD23 LEU 44 2HD2 LEU 44 -5.903 6.800 -12.597 314 H LYS 45 H LYS 45 -7.820 4.689 -9.168 315 HA LYS 45 HA LYS 45 -7.010 7.219 -8.418 316 HB2 LYS 45 1HB LYS 45 -9.285 7.126 -8.603 317 HB3 LYS 45 2HB LYS 45 -9.388 5.533 -7.866 318 HG2 LYS 45 1HG LYS 45 -10.442 7.083 -6.406 319 HG3 LYS 45 2HG LYS 45 -8.915 6.601 -5.663 320 HD2 LYS 45 1HD LYS 45 -7.929 8.693 -6.750 321 HD3 LYS 45 2HD LYS 45 -9.600 9.189 -7.031 322 HE2 LYS 45 1HE LYS 45 -8.277 8.631 -4.381 323 HE3 LYS 45 2HE LYS 45 -8.838 10.189 -4.988 324 HZ1 LYS 45 3HZ LYS 45 -10.498 9.486 -3.537 325 HZ2 LYS 45 1HZ LYS 45 -10.449 7.884 -4.079 326 HZ3 LYS 45 2HZ LYS 45 -11.115 9.089 -5.061 327 H CYS 46 H CYS 46 -6.770 4.246 -6.665 328 HA CYS 46 HA CYS 46 -6.161 5.618 -4.161 329 HB2 CYS 46 1HB CYS 46 -6.846 2.835 -4.939 330 HB3 CYS 46 2HB CYS 46 -5.784 3.031 -3.549 331 H ILE 47 H ILE 47 -4.636 2.905 -5.903 332 HA ILE 47 HA ILE 47 -2.180 2.876 -4.801 333 HB ILE 47 HB ILE 47 -2.722 2.671 -7.765 334 HG12 ILE 47 1HG1 ILE 47 -2.484 0.461 -5.718 335 HG13 ILE 47 2HG1 ILE 47 -4.023 1.138 -6.238 336 HG21 ILE 47 1HG2 ILE 47 -0.587 1.011 -6.966 337 HG22 ILE 47 2HG2 ILE 47 -0.537 2.412 -8.035 338 HG23 ILE 47 3HG2 ILE 47 -0.273 2.615 -6.304 339 HD11 ILE 47 3HD1 ILE 47 -2.502 -0.924 -7.432 340 HD12 ILE 47 1HD1 ILE 47 -4.054 -0.261 -7.943 341 HD13 ILE 47 2HD1 ILE 47 -2.552 0.436 -8.553 342 H THR 48 H THR 48 -3.261 5.155 -7.284 343 HA THR 48 HA THR 48 -0.754 6.468 -7.561 344 HB THR 48 HB THR 48 -3.533 7.450 -8.241 345 HG1 THR 48 1HG THR 48 -1.626 6.605 -10.128 346 HG21 THR 48 3HG2 THR 48 -0.801 8.571 -8.766 347 HG22 THR 48 1HG2 THR 48 -2.247 9.395 -8.185 348 HG23 THR 48 2HG2 THR 48 -2.136 8.892 -9.872 349 H GLN 49 H GLN 49 -3.789 7.550 -6.021 350 HA GLN 49 HA GLN 49 -2.923 9.893 -4.900 351 HB2 GLN 49 1HB GLN 49 -4.971 7.878 -4.112 352 HB3 GLN 49 2HB GLN 49 -4.570 9.138 -2.954 353 HG2 GLN 49 1HG GLN 49 -5.368 9.723 -5.789 354 HG3 GLN 49 2HG GLN 49 -6.528 9.593 -4.467 355 HE21 GLN 49 1HE2 GLN 49 -6.016 10.990 -2.547 356 HE22 GLN 49 2HE2 GLN 49 -5.454 12.591 -2.872 357 H ILE 50 H ILE 50 -2.692 6.648 -3.466 358 HA ILE 50 HA ILE 50 -1.583 7.289 -1.025 359 HB ILE 50 HB ILE 50 -0.915 4.903 -2.751 360 HG12 ILE 50 1HG1 ILE 50 -2.823 4.917 -0.435 361 HG13 ILE 50 2HG1 ILE 50 -3.364 5.439 -2.026 362 HG21 ILE 50 1HG2 ILE 50 -0.803 4.625 0.160 363 HG22 ILE 50 2HG2 ILE 50 0.300 4.033 -1.081 364 HG23 ILE 50 3HG2 ILE 50 0.423 5.698 -0.514 365 HD11 ILE 50 3HD1 ILE 50 -2.090 2.772 -1.483 366 HD12 ILE 50 1HD1 ILE 50 -3.831 3.056 -1.492 367 HD13 ILE 50 2HD1 ILE 50 -2.889 3.303 -2.963 368 H GLY 51 H GLY 51 0.023 6.954 -4.156 369 HA2 GLY 51 1HA GLY 51 2.653 7.359 -3.042 370 HA3 GLY 51 2HA GLY 51 2.243 7.264 -4.749 371 H GLU 52 H GLU 52 2.512 9.365 -1.967 372 HA GLU 52 HA GLU 52 2.048 11.712 -3.661 373 HB2 GLU 52 1HB GLU 52 1.919 11.195 -0.730 374 HB3 GLU 52 2HB GLU 52 2.343 12.817 -1.260 375 HG2 GLU 52 1HG GLU 52 0.280 12.961 -2.534 376 HG3 GLU 52 2HG GLU 52 -0.141 11.316 -2.060 377 H THR 53 H THR 53 4.273 10.896 -0.995 378 HA THR 53 HA THR 53 6.294 12.642 -2.134 379 HB THR 53 HB THR 53 6.470 10.941 0.359 380 HG1 THR 53 1HG THR 53 5.781 12.764 1.453 381 HG21 THR 53 3HG2 THR 53 8.524 12.083 -0.936 382 HG22 THR 53 1HG2 THR 53 8.456 11.942 0.820 383 HG23 THR 53 2HG2 THR 53 7.998 13.455 0.038 384 H SER 54 H SER 54 5.824 9.199 -1.478 385 HA SER 54 HA SER 54 8.327 8.214 -2.080 386 HB2 SER 54 1HB SER 54 7.239 6.103 -2.608 387 HB3 SER 54 2HB SER 54 6.423 6.853 -1.236 388 HG SER 54 HG SER 54 5.566 6.727 -3.931 389 H CYS 55 H CYS 55 9.051 7.056 -4.039 390 HA CYS 55 HA CYS 55 8.703 8.751 -6.358 391 HB2 CYS 55 1HB CYS 55 10.581 6.557 -5.583 392 HB3 CYS 55 2HB CYS 55 10.403 6.958 -7.287 393 HG CYS 55 HG CYS 55 10.970 9.767 -6.659 394 H GLY 56 H GLY 56 8.254 5.310 -5.571 395 HA2 GLY 56 1HA GLY 56 5.963 5.108 -7.261 396 HA3 GLY 56 2HA GLY 56 7.373 4.373 -8.009 397 H PHE 57 H PHE 57 8.560 3.431 -5.570 398 HA PHE 57 HA PHE 57 7.104 0.977 -5.314 399 HB2 PHE 57 1HB PHE 57 9.438 1.824 -3.604 400 HB3 PHE 57 2HB PHE 57 8.942 0.191 -4.038 401 HD1 PHE 57 1HD PHE 57 8.593 0.336 -6.910 402 HD2 PHE 57 2HD PHE 57 11.561 2.130 -4.443 403 HE1 PHE 57 1HE PHE 57 10.151 0.368 -8.814 404 HE2 PHE 57 2HE PHE 57 13.124 2.165 -6.343 405 HZ PHE 57 HZ PHE 57 12.420 1.285 -8.532 406 H PHE 58 H PHE 58 5.737 0.347 -3.756 407 HA PHE 58 HA PHE 58 5.656 1.724 -1.203 408 HB2 PHE 58 1HB PHE 58 3.484 2.561 -1.340 409 HB3 PHE 58 2HB PHE 58 4.133 2.920 -2.936 410 HD1 PHE 58 1HD PHE 58 3.496 1.501 -4.869 411 HD2 PHE 58 2HD PHE 58 1.654 1.096 -1.054 412 HE1 PHE 58 1HE PHE 58 1.630 0.276 -5.904 413 HE2 PHE 58 2HE PHE 58 -0.215 -0.130 -2.082 414 HZ PHE 58 HZ PHE 58 -0.228 -0.543 -4.510 415 H LYS 59 H LYS 59 5.501 0.210 0.300 416 HA LYS 59 HA LYS 59 4.940 -2.493 -0.264 417 HB2 LYS 59 1HB LYS 59 6.201 -1.303 1.746 418 HB3 LYS 59 2HB LYS 59 4.623 -1.443 2.511 419 HG2 LYS 59 1HG LYS 59 4.700 -3.740 2.566 420 HG3 LYS 59 2HG LYS 59 5.844 -3.841 1.226 421 HD2 LYS 59 1HD LYS 59 6.977 -4.427 3.268 422 HD3 LYS 59 2HD LYS 59 7.585 -2.869 2.704 423 HE2 LYS 59 1HE LYS 59 5.911 -1.801 4.271 424 HE3 LYS 59 2HE LYS 59 5.654 -3.407 4.950 425 HZ1 LYS 59 3HZ LYS 59 8.201 -3.393 5.216 426 HZ2 LYS 59 1HZ LYS 59 7.262 -2.519 6.319 427 HZ3 LYS 59 2HZ LYS 59 8.061 -1.715 5.064 428 H CYS 60 H CYS 60 3.034 -3.341 -0.747 429 HA CYS 60 HA CYS 60 0.583 -2.275 -0.787 430 HB2 CYS 60 1HB CYS 60 0.916 -4.504 -1.604 431 HB3 CYS 60 2HB CYS 60 1.309 -5.098 0.006 432 HA PRO 61 HA PRO 61 -0.592 -1.219 3.331 433 HB2 PRO 61 1HB PRO 61 -3.260 -0.942 2.911 434 HB3 PRO 61 2HB PRO 61 -2.072 0.246 2.361 435 HG2 PRO 61 1HG PRO 61 -3.424 -1.934 0.819 436 HG3 PRO 61 2HG PRO 61 -3.109 -0.256 0.341 437 HD2 PRO 61 1HD PRO 61 -1.570 -2.322 -0.494 438 HD3 PRO 61 2HD PRO 61 -0.916 -0.695 -0.218 439 H LEU 62 H LEU 62 -2.781 -3.512 1.684 440 HA LEU 62 HA LEU 62 -3.873 -4.677 3.960 441 HB2 LEU 62 1HB LEU 62 -3.537 -5.489 1.130 442 HB3 LEU 62 2HB LEU 62 -3.951 -6.753 2.286 443 HG LEU 62 HG LEU 62 -5.936 -5.363 2.946 444 HD11 LEU 62 1HD1 LEU 62 -6.626 -3.740 1.078 445 HD12 LEU 62 2HD1 LEU 62 -4.912 -3.712 0.666 446 HD13 LEU 62 3HD1 LEU 62 -5.443 -3.194 2.266 447 HD21 LEU 62 3HD2 LEU 62 -5.847 -7.284 1.224 448 HD22 LEU 62 1HD2 LEU 62 -6.045 -6.007 0.024 449 HD23 LEU 62 2HD2 LEU 62 -7.273 -6.248 1.266 450 H CYS 63 H CYS 63 -1.140 -5.853 1.994 451 HA CYS 63 HA CYS 63 -0.207 -7.336 4.364 452 HB2 CYS 63 1HB CYS 63 0.622 -9.087 2.944 453 HB3 CYS 63 2HB CYS 63 -1.061 -8.798 2.514 454 H LYS 64 H LYS 64 1.884 -7.097 4.953 455 HA LYS 64 HA LYS 64 3.380 -4.962 3.718 456 HB2 LYS 64 1HB LYS 64 4.082 -6.764 6.043 457 HB3 LYS 64 2HB LYS 64 4.985 -5.336 5.553 458 HG2 LYS 64 1HG LYS 64 2.087 -5.181 6.304 459 HG3 LYS 64 2HG LYS 64 3.370 -5.114 7.514 460 HD2 LYS 64 1HD LYS 64 4.126 -3.071 6.795 461 HD3 LYS 64 2HD LYS 64 3.556 -3.320 5.144 462 HE2 LYS 64 1HE LYS 64 2.161 -1.657 6.085 463 HE3 LYS 64 2HE LYS 64 1.210 -3.142 6.059 464 HZ1 LYS 64 3HZ LYS 64 0.838 -2.287 8.163 465 HZ2 LYS 64 1HZ LYS 64 2.439 -1.779 8.368 466 HZ3 LYS 64 2HZ LYS 64 2.058 -3.425 8.444 467 H THR 65 H THR 65 3.654 -6.067 1.643 468 HA THR 65 HA THR 65 5.843 -8.040 1.711 469 HB THR 65 HB THR 65 3.834 -7.649 -0.514 470 HG1 THR 65 1HG THR 65 3.908 -9.399 1.705 471 HG21 THR 65 3HG2 THR 65 4.938 -9.229 -1.691 472 HG22 THR 65 1HG2 THR 65 5.361 -10.154 -0.252 473 HG23 THR 65 2HG2 THR 65 6.309 -8.735 -0.698 474 H SER 66 H SER 66 7.731 -7.436 0.879 475 HA SER 66 HA SER 66 8.272 -4.852 -0.001 476 HB2 SER 66 1HB SER 66 9.830 -7.396 -0.519 477 HB3 SER 66 2HB SER 66 10.453 -5.765 -0.764 478 HG SER 66 HG SER 66 9.994 -7.162 1.590 479 H VAL 67 H VAL 67 6.876 -4.202 -1.625 480 HA VAL 67 HA VAL 67 7.179 -5.572 -4.218 481 HB VAL 67 HB VAL 67 5.038 -4.502 -4.864 482 HG11 VAL 67 1HG1 VAL 67 3.633 -6.039 -3.723 483 HG12 VAL 67 2HG1 VAL 67 5.213 -6.811 -3.875 484 HG13 VAL 67 3HG1 VAL 67 4.720 -6.104 -2.336 485 HG21 VAL 67 3HG2 VAL 67 4.026 -3.930 -2.256 486 HG22 VAL 67 1HG2 VAL 67 5.492 -2.987 -2.527 487 HG23 VAL 67 2HG2 VAL 67 4.143 -2.866 -3.657 488 H ARG 68 H ARG 68 7.865 -4.446 -5.965 489 HA ARG 68 HA ARG 68 8.194 -1.539 -5.710 490 HB2 ARG 68 1HB ARG 68 10.433 -1.668 -6.676 491 HB3 ARG 68 2HB ARG 68 10.349 -2.583 -5.177 492 HG2 ARG 68 1HG ARG 68 9.828 -4.569 -6.846 493 HG3 ARG 68 2HG ARG 68 10.713 -3.526 -7.962 494 HD2 ARG 68 1HD ARG 68 11.739 -4.349 -5.251 495 HD3 ARG 68 2HD ARG 68 12.122 -5.200 -6.747 496 HE ARG 68 HE ARG 68 13.231 -2.717 -5.839 497 HH11 ARG 68 2HH1 ARG 68 12.492 -4.648 -8.640 498 HH12 ARG 68 1HH1 ARG 68 13.704 -3.908 -9.632 499 HH21 ARG 68 2HH2 ARG 68 14.831 -1.736 -7.134 500 HH22 ARG 68 1HH2 ARG 68 15.035 -2.252 -8.774 501 H LYS 69 H LYS 69 7.024 -0.668 -7.280 502 HA LYS 69 HA LYS 69 5.796 -1.745 -9.398 503 HB2 LYS 69 1HB LYS 69 7.196 0.930 -9.323 504 HB3 LYS 69 2HB LYS 69 6.067 0.456 -10.585 505 HG2 LYS 69 1HG LYS 69 5.169 0.258 -7.762 506 HG3 LYS 69 2HG LYS 69 5.304 1.861 -8.490 507 HD2 LYS 69 1HD LYS 69 3.718 1.361 -10.148 508 HD3 LYS 69 2HD LYS 69 3.836 -0.376 -9.857 509 HE2 LYS 69 1HE LYS 69 1.760 0.510 -8.950 510 HE3 LYS 69 2HE LYS 69 2.806 -0.071 -7.656 511 HZ1 LYS 69 3HZ LYS 69 2.903 2.765 -8.421 512 HZ2 LYS 69 1HZ LYS 69 3.233 2.045 -6.926 513 HZ3 LYS 69 2HZ LYS 69 1.633 2.216 -7.447 514 H ASN 70 H ASN 70 6.411 -3.005 -11.016 515 HA ASN 70 HA ASN 70 8.747 -2.332 -12.593 516 HB2 ASN 70 1HB ASN 70 9.369 -3.929 -10.609 517 HB3 ASN 70 2HB ASN 70 8.605 -5.161 -11.610 518 HD21 ASN 70 1HD2 ASN 70 11.420 -4.707 -10.770 519 HD22 ASN 70 2HD2 ASN 70 12.329 -4.703 -12.239 520 H ALA 71 H ALA 71 8.330 -2.669 -14.679 521 HA ALA 71 HA ALA 71 6.857 -4.911 -15.646 522 HB1 ALA 71 3HB ALA 71 5.013 -3.544 -16.678 523 HB2 ALA 71 1HB ALA 71 4.918 -3.751 -14.929 524 HB3 ALA 71 2HB ALA 71 5.495 -2.228 -15.608 525 H ILE 72 H ILE 72 6.526 -4.772 -18.043 526 HA ILE 72 HA ILE 72 8.813 -4.321 -19.424 527 HB ILE 72 HB ILE 72 6.015 -3.954 -20.500 528 HG12 ILE 72 1HG1 ILE 72 7.748 -6.390 -20.815 529 HG13 ILE 72 2HG1 ILE 72 6.760 -6.173 -19.374 530 HG21 ILE 72 1HG2 ILE 72 7.363 -3.012 -22.139 531 HG22 ILE 72 2HG2 ILE 72 8.682 -4.145 -21.845 532 HG23 ILE 72 3HG2 ILE 72 7.218 -4.690 -22.663 533 HD11 ILE 72 3HD1 ILE 72 5.819 -7.545 -21.323 534 HD12 ILE 72 1HD1 ILE 72 4.777 -6.344 -20.561 535 HD13 ILE 72 2HD1 ILE 72 5.555 -5.986 -22.103 536 H ARG 73 H ARG 73 9.997 -2.508 -19.222 537 HA ARG 73 HA ARG 73 9.381 0.041 -18.720 538 HB2 ARG 73 1HB ARG 73 11.668 -0.859 -19.233 539 HB3 ARG 73 2HB ARG 73 11.288 -0.699 -20.943 540 HG2 ARG 73 1HG ARG 73 11.434 1.575 -20.909 541 HG3 ARG 73 2HG ARG 73 10.964 1.691 -19.212 542 HD2 ARG 73 1HD ARG 73 13.257 2.282 -19.325 543 HD3 ARG 73 2HD ARG 73 13.185 0.659 -18.639 544 HE ARG 73 HE ARG 73 13.537 0.663 -21.483 545 HH11 ARG 73 2HH1 ARG 73 15.168 0.909 -18.417 546 HH12 ARG 73 1HH1 ARG 73 16.688 0.351 -19.033 547 HH21 ARG 73 2HH2 ARG 73 15.533 -0.074 -22.306 548 HH22 ARG 73 1HH2 ARG 73 16.895 -0.207 -21.245 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -7.219 -13.337 -39.342 2 HA2 GLY 1 1HA GLY 1 -7.372 -12.965 -36.855 3 HA3 GLY 1 2HA GLY 1 -8.880 -13.507 -37.577 4 H SER 2 H SER 2 -9.652 -14.536 -35.759 5 HA SER 2 HA SER 2 -8.235 -17.012 -35.041 6 HB2 SER 2 1HB SER 2 -9.678 -15.191 -33.100 7 HB3 SER 2 2HB SER 2 -8.891 -16.717 -32.700 8 HG SER 2 HG SER 2 -7.465 -15.079 -32.230 9 H SER 3 H SER 3 -9.439 -18.774 -35.269 10 HA SER 3 HA SER 3 -12.361 -18.449 -35.446 11 HB2 SER 3 1HB SER 3 -10.990 -19.281 -37.479 12 HB3 SER 3 2HB SER 3 -10.850 -20.792 -36.581 13 HG SER 3 HG SER 3 -12.668 -20.721 -38.018 14 H GLY 4 H GLY 4 -13.119 -18.898 -33.451 15 HA2 GLY 4 1HA GLY 4 -12.081 -21.274 -32.062 16 HA3 GLY 4 2HA GLY 4 -12.985 -19.967 -31.313 17 H SER 5 H SER 5 -14.443 -21.428 -30.368 18 HA SER 5 HA SER 5 -16.016 -23.156 -32.085 19 HB2 SER 5 1HB SER 5 -16.001 -22.646 -29.110 20 HB3 SER 5 2HB SER 5 -17.209 -23.670 -29.886 21 HG SER 5 HG SER 5 -15.773 -25.193 -30.076 22 H SER 6 H SER 6 -17.051 -21.607 -33.408 23 HA SER 6 HA SER 6 -18.628 -19.490 -32.356 24 HB2 SER 6 1HB SER 6 -18.442 -20.809 -35.056 25 HB3 SER 6 2HB SER 6 -19.651 -19.568 -34.729 26 HG SER 6 HG SER 6 -18.052 -18.301 -35.292 27 H GLY 7 H GLY 7 -20.087 -20.215 -30.848 28 HA2 GLY 7 1HA GLY 7 -22.425 -21.576 -31.937 29 HA3 GLY 7 2HA GLY 7 -21.608 -22.380 -30.605 30 H MET 8 H MET 8 -23.995 -20.193 -31.435 31 HA MET 8 HA MET 8 -23.976 -18.968 -28.759 32 HB2 MET 8 1HB MET 8 -25.290 -18.080 -31.330 33 HB3 MET 8 2HB MET 8 -25.581 -17.316 -29.772 34 HG2 MET 8 1HG MET 8 -23.141 -16.843 -29.628 35 HG3 MET 8 2HG MET 8 -22.979 -17.454 -31.273 36 HE1 MET 8 3HE MET 8 -22.448 -16.133 -32.760 37 HE2 MET 8 1HE MET 8 -23.881 -15.517 -33.584 38 HE3 MET 8 2HE MET 8 -22.702 -14.393 -32.909 39 H ALA 9 H ALA 9 -25.195 -20.095 -27.389 40 HA ALA 9 HA ALA 9 -27.856 -20.971 -28.301 41 HB1 ALA 9 3HB ALA 9 -26.773 -23.003 -28.087 42 HB2 ALA 9 1HB ALA 9 -25.811 -22.464 -26.711 43 HB3 ALA 9 2HB ALA 9 -27.528 -22.813 -26.504 44 H SER 10 H SER 10 -29.187 -19.517 -27.394 45 HA SER 10 HA SER 10 -28.711 -18.197 -24.943 46 HB2 SER 10 1HB SER 10 -30.814 -17.182 -25.241 47 HB3 SER 10 2HB SER 10 -30.259 -17.498 -26.885 48 HG SER 10 HG SER 10 -31.533 -19.447 -26.793 49 H GLY 11 H GLY 11 -30.405 -18.271 -23.127 50 HA2 GLY 11 1HA GLY 11 -31.833 -19.553 -21.730 51 HA3 GLY 11 2HA GLY 11 -31.342 -20.999 -22.600 52 H GLN 12 H GLN 12 -29.317 -18.486 -21.133 53 HA GLN 12 HA GLN 12 -27.561 -20.369 -19.966 54 HB2 GLN 12 1HB GLN 12 -27.940 -17.431 -19.365 55 HB3 GLN 12 2HB GLN 12 -26.595 -18.408 -18.793 56 HG2 GLN 12 1HG GLN 12 -27.199 -18.128 -21.713 57 HG3 GLN 12 2HG GLN 12 -26.226 -16.941 -20.846 58 HE21 GLN 12 1HE2 GLN 12 -24.143 -17.382 -20.404 59 HE22 GLN 12 2HE2 GLN 12 -23.344 -18.855 -20.826 60 H PHE 13 H PHE 13 -27.086 -20.553 -17.642 61 HA PHE 13 HA PHE 13 -29.526 -20.351 -16.003 62 HB2 PHE 13 1HB PHE 13 -28.709 -22.706 -16.796 63 HB3 PHE 13 2HB PHE 13 -27.492 -22.505 -15.539 64 HD1 PHE 13 2HD PHE 13 -31.125 -22.679 -16.178 65 HD2 PHE 13 1HD PHE 13 -28.023 -22.807 -13.266 66 HE1 PHE 13 2HE PHE 13 -32.741 -23.460 -14.496 67 HE2 PHE 13 1HE PHE 13 -29.635 -23.589 -11.579 68 HZ PHE 13 HZ PHE 13 -31.998 -23.916 -12.193 69 H VAL 14 H VAL 14 -27.640 -18.319 -16.083 70 HA VAL 14 HA VAL 14 -25.703 -18.572 -14.002 71 HB VAL 14 HB VAL 14 -25.465 -16.954 -15.860 72 HG11 VAL 14 1HG1 VAL 14 -27.802 -15.630 -14.503 73 HG12 VAL 14 2HG1 VAL 14 -26.737 -14.788 -15.630 74 HG13 VAL 14 3HG1 VAL 14 -27.682 -16.174 -16.176 75 HG21 VAL 14 3HG2 VAL 14 -24.945 -16.538 -13.102 76 HG22 VAL 14 1HG2 VAL 14 -24.050 -15.927 -14.494 77 HG23 VAL 14 2HG2 VAL 14 -25.376 -14.983 -13.814 78 H ASN 15 H ASN 15 -25.789 -17.951 -11.891 79 HA ASN 15 HA ASN 15 -28.396 -17.009 -10.891 80 HB2 ASN 15 1HB ASN 15 -26.505 -19.057 -9.744 81 HB3 ASN 15 2HB ASN 15 -27.718 -18.255 -8.749 82 HD21 ASN 15 1HD2 ASN 15 -29.258 -19.682 -8.382 83 HD22 ASN 15 2HD2 ASN 15 -30.036 -20.661 -9.574 84 H LYS 16 H LYS 16 -25.826 -15.612 -11.650 85 HA LYS 16 HA LYS 16 -25.580 -14.071 -9.166 86 HB2 LYS 16 1HB LYS 16 -23.409 -15.436 -10.667 87 HB3 LYS 16 2HB LYS 16 -23.063 -13.826 -10.051 88 HG2 LYS 16 1HG LYS 16 -24.179 -15.982 -8.291 89 HG3 LYS 16 2HG LYS 16 -22.447 -15.815 -8.584 90 HD2 LYS 16 1HD LYS 16 -23.975 -13.398 -7.761 91 HD3 LYS 16 2HD LYS 16 -23.632 -14.625 -6.539 92 HE2 LYS 16 1HE LYS 16 -21.437 -13.648 -8.313 93 HE3 LYS 16 2HE LYS 16 -21.956 -12.661 -6.948 94 HZ1 LYS 16 3HZ LYS 16 -21.407 -15.488 -6.448 95 HZ2 LYS 16 1HZ LYS 16 -21.159 -14.146 -5.449 96 HZ3 LYS 16 2HZ LYS 16 -20.081 -14.471 -6.711 97 H LEU 17 H LEU 17 -25.276 -11.878 -9.434 98 HA LEU 17 HA LEU 17 -24.837 -10.790 -12.087 99 HB2 LEU 17 1HB LEU 17 -27.438 -10.657 -10.643 100 HB3 LEU 17 2HB LEU 17 -26.918 -9.257 -11.580 101 HG LEU 17 HG LEU 17 -27.243 -12.036 -12.709 102 HD11 LEU 17 1HD1 LEU 17 -29.182 -9.916 -12.176 103 HD12 LEU 17 2HD1 LEU 17 -29.433 -11.624 -12.536 104 HD13 LEU 17 3HD1 LEU 17 -29.173 -10.476 -13.849 105 HD21 LEU 17 3HD2 LEU 17 -25.747 -10.016 -13.698 106 HD22 LEU 17 1HD2 LEU 17 -27.311 -9.645 -14.423 107 HD23 LEU 17 2HD2 LEU 17 -26.565 -11.220 -14.695 108 H GLN 18 H GLN 18 -24.957 -8.287 -11.946 109 HA GLN 18 HA GLN 18 -23.610 -6.568 -11.162 110 HB2 GLN 18 1HB GLN 18 -25.520 -6.958 -8.851 111 HB3 GLN 18 2HB GLN 18 -24.684 -5.469 -9.273 112 HG2 GLN 18 1HG GLN 18 -26.694 -5.034 -10.216 113 HG3 GLN 18 2HG GLN 18 -25.924 -5.851 -11.574 114 HE21 GLN 18 1HE2 GLN 18 -28.306 -6.053 -12.068 115 HE22 GLN 18 2HE2 GLN 18 -29.096 -7.479 -11.498 116 H GLU 19 H GLU 19 -22.155 -8.822 -10.749 117 HA GLU 19 HA GLU 19 -21.205 -8.658 -7.974 118 HB2 GLU 19 1HB GLU 19 -21.779 -10.903 -8.704 119 HB3 GLU 19 2HB GLU 19 -20.725 -10.749 -10.102 120 HG2 GLU 19 1HG GLU 19 -19.498 -12.029 -8.604 121 HG3 GLU 19 2HG GLU 19 -18.837 -10.406 -8.418 122 H GLU 20 H GLU 20 -19.995 -6.757 -8.167 123 HA GLU 20 HA GLU 20 -17.552 -7.030 -9.793 124 HB2 GLU 20 1HB GLU 20 -19.118 -4.519 -9.180 125 HB3 GLU 20 2HB GLU 20 -17.534 -4.537 -9.942 126 HG2 GLU 20 1HG GLU 20 -18.707 -6.133 -11.649 127 HG3 GLU 20 2HG GLU 20 -20.173 -5.371 -11.034 128 H VAL 21 H VAL 21 -15.729 -7.057 -8.664 129 HA VAL 21 HA VAL 21 -15.640 -6.919 -5.869 130 HB VAL 21 HB VAL 21 -13.947 -8.109 -7.169 131 HG11 VAL 21 1HG1 VAL 21 -12.533 -5.591 -7.860 132 HG12 VAL 21 2HG1 VAL 21 -12.519 -7.157 -8.672 133 HG13 VAL 21 3HG1 VAL 21 -13.899 -6.075 -8.865 134 HG21 VAL 21 3HG2 VAL 21 -13.334 -7.522 -4.933 135 HG22 VAL 21 1HG2 VAL 21 -11.929 -7.257 -5.965 136 HG23 VAL 21 2HG2 VAL 21 -12.897 -5.886 -5.425 137 H ILE 22 H ILE 22 -15.020 -5.350 -4.431 138 HA ILE 22 HA ILE 22 -14.897 -2.614 -5.508 139 HB ILE 22 HB ILE 22 -15.643 -3.457 -2.707 140 HG12 ILE 22 1HG1 ILE 22 -17.484 -2.476 -4.892 141 HG13 ILE 22 2HG1 ILE 22 -17.251 -4.180 -4.519 142 HG21 ILE 22 1HG2 ILE 22 -14.690 -1.201 -2.897 143 HG22 ILE 22 2HG2 ILE 22 -15.912 -0.797 -4.101 144 HG23 ILE 22 3HG2 ILE 22 -16.394 -1.163 -2.445 145 HD11 ILE 22 3HD1 ILE 22 -18.334 -4.017 -2.492 146 HD12 ILE 22 1HD1 ILE 22 -18.072 -2.277 -2.373 147 HD13 ILE 22 2HD1 ILE 22 -19.261 -2.914 -3.509 148 H CYS 23 H CYS 23 -13.445 -1.106 -4.558 149 HA CYS 23 HA CYS 23 -10.899 -2.249 -3.907 150 HB2 CYS 23 1HB CYS 23 -11.151 -0.202 -5.294 151 HB3 CYS 23 2HB CYS 23 -11.749 0.654 -3.876 152 HA PRO 24 HA PRO 24 -11.643 -2.362 0.481 153 HB2 PRO 24 1HB PRO 24 -9.159 -3.219 1.164 154 HB3 PRO 24 2HB PRO 24 -10.391 -4.288 0.484 155 HG2 PRO 24 1HG PRO 24 -8.086 -2.949 -0.877 156 HG3 PRO 24 2HG PRO 24 -8.680 -4.610 -1.057 157 HD2 PRO 24 1HD PRO 24 -9.257 -2.655 -2.839 158 HD3 PRO 24 2HD PRO 24 -10.381 -3.981 -2.479 159 H ILE 25 H ILE 25 -9.990 -0.120 -1.235 160 HA ILE 25 HA ILE 25 -8.800 1.163 1.127 161 HB ILE 25 HB ILE 25 -8.359 1.697 -1.812 162 HG12 ILE 25 1HG1 ILE 25 -6.504 0.636 0.331 163 HG13 ILE 25 2HG1 ILE 25 -7.269 -0.334 -0.923 164 HG21 ILE 25 1HG2 ILE 25 -8.234 3.799 -0.712 165 HG22 ILE 25 2HG2 ILE 25 -7.304 3.118 0.622 166 HG23 ILE 25 3HG2 ILE 25 -6.576 3.259 -0.978 167 HD11 ILE 25 3HD1 ILE 25 -5.496 0.034 -2.187 168 HD12 ILE 25 1HD1 ILE 25 -5.959 1.734 -2.266 169 HD13 ILE 25 2HD1 ILE 25 -4.842 1.181 -1.019 170 H CYS 26 H CYS 26 -10.517 2.154 -1.844 171 HA CYS 26 HA CYS 26 -11.634 4.434 -0.393 172 HB2 CYS 26 1HB CYS 26 -12.451 5.094 -2.704 173 HB3 CYS 26 2HB CYS 26 -10.704 5.060 -2.488 174 H LEU 27 H LEU 27 -12.515 1.343 -1.620 175 HA LEU 27 HA LEU 27 -14.429 0.125 -1.396 176 HB2 LEU 27 1HB LEU 27 -15.683 2.496 -0.043 177 HB3 LEU 27 2HB LEU 27 -16.128 0.798 0.106 178 HG LEU 27 HG LEU 27 -13.550 1.977 1.134 179 HD11 LEU 27 1HD1 LEU 27 -15.252 2.964 2.430 180 HD12 LEU 27 2HD1 LEU 27 -14.664 1.596 3.374 181 HD13 LEU 27 3HD1 LEU 27 -16.184 1.467 2.489 182 HD21 LEU 27 3HD2 LEU 27 -14.828 -0.732 1.277 183 HD22 LEU 27 1HD2 LEU 27 -13.668 -0.197 2.493 184 HD23 LEU 27 2HD2 LEU 27 -13.185 -0.302 0.800 185 H ASP 28 H ASP 28 -13.990 1.336 -3.775 186 HA ASP 28 HA ASP 28 -16.712 2.066 -4.620 187 HB2 ASP 28 1HB ASP 28 -15.385 4.106 -4.621 188 HB3 ASP 28 2HB ASP 28 -14.131 3.321 -5.577 189 H ILE 29 H ILE 29 -17.410 1.202 -6.540 190 HA ILE 29 HA ILE 29 -16.660 -1.244 -7.378 191 HB ILE 29 HB ILE 29 -17.650 0.964 -9.185 192 HG12 ILE 29 1HG1 ILE 29 -19.199 -1.227 -7.791 193 HG13 ILE 29 2HG1 ILE 29 -19.055 0.416 -7.176 194 HG21 ILE 29 1HG2 ILE 29 -17.639 -2.024 -9.581 195 HG22 ILE 29 2HG2 ILE 29 -18.472 -0.867 -10.616 196 HG23 ILE 29 3HG2 ILE 29 -16.713 -0.837 -10.499 197 HD11 ILE 29 3HD1 ILE 29 -19.909 0.706 -9.807 198 HD12 ILE 29 1HD1 ILE 29 -20.835 -0.650 -9.164 199 HD13 ILE 29 2HD1 ILE 29 -20.868 0.910 -8.341 200 H LEU 30 H LEU 30 -14.654 -1.928 -7.782 201 HA LEU 30 HA LEU 30 -12.531 -0.410 -8.751 202 HB2 LEU 30 1HB LEU 30 -13.106 -3.310 -8.499 203 HB3 LEU 30 2HB LEU 30 -11.754 -2.833 -9.525 204 HG LEU 30 HG LEU 30 -11.977 -1.888 -6.683 205 HD11 LEU 30 1HD1 LEU 30 -10.871 -4.490 -7.707 206 HD12 LEU 30 2HD1 LEU 30 -12.064 -4.235 -6.434 207 HD13 LEU 30 3HD1 LEU 30 -10.382 -3.776 -6.171 208 HD21 LEU 30 3HD2 LEU 30 -9.584 -2.336 -8.459 209 HD22 LEU 30 1HD2 LEU 30 -9.617 -1.543 -6.884 210 HD23 LEU 30 2HD2 LEU 30 -10.403 -0.785 -8.269 211 H GLN 31 H GLN 31 -12.378 0.580 -10.646 212 HA GLN 31 HA GLN 31 -13.774 -0.490 -12.971 213 HB2 GLN 31 1HB GLN 31 -13.849 1.960 -12.291 214 HB3 GLN 31 2HB GLN 31 -12.177 2.063 -12.825 215 HG2 GLN 31 1HG GLN 31 -12.728 1.757 -15.048 216 HG3 GLN 31 2HG GLN 31 -14.274 1.003 -14.665 217 HE21 GLN 31 1HE2 GLN 31 -14.966 2.573 -16.338 218 HE22 GLN 31 2HE2 GLN 31 -15.409 4.160 -15.820 219 H LYS 32 H LYS 32 -10.509 0.193 -11.847 220 HA LYS 32 HA LYS 32 -9.480 -1.357 -14.129 221 HB2 LYS 32 1HB LYS 32 -8.482 1.246 -13.008 222 HB3 LYS 32 2HB LYS 32 -7.385 0.150 -13.838 223 HG2 LYS 32 1HG LYS 32 -9.928 0.902 -15.182 224 HG3 LYS 32 2HG LYS 32 -8.616 2.081 -15.118 225 HD2 LYS 32 1HD LYS 32 -7.106 0.353 -16.090 226 HD3 LYS 32 2HD LYS 32 -8.509 -0.701 -16.280 227 HE2 LYS 32 1HE LYS 32 -9.560 1.165 -17.627 228 HE3 LYS 32 2HE LYS 32 -7.979 1.944 -17.615 229 HZ1 LYS 32 3HZ LYS 32 -8.352 -0.828 -18.577 230 HZ2 LYS 32 1HZ LYS 32 -7.043 0.208 -18.848 231 HZ3 LYS 32 2HZ LYS 32 -8.527 0.506 -19.601 232 HA PRO 33 HA PRO 33 -8.146 -3.350 -10.192 233 HB2 PRO 33 1HB PRO 33 -8.430 -5.882 -11.130 234 HB3 PRO 33 2HB PRO 33 -9.768 -4.959 -10.434 235 HG2 PRO 33 1HG PRO 33 -9.073 -5.413 -13.311 236 HG3 PRO 33 2HG PRO 33 -10.661 -5.457 -12.523 237 HD2 PRO 33 1HD PRO 33 -9.798 -3.319 -13.943 238 HD3 PRO 33 2HD PRO 33 -10.872 -3.162 -12.538 239 H VAL 34 H VAL 34 -6.006 -3.305 -9.941 240 HA VAL 34 HA VAL 34 -4.312 -4.453 -12.064 241 HB VAL 34 HB VAL 34 -3.626 -2.266 -10.095 242 HG11 VAL 34 1HG1 VAL 34 -1.978 -3.767 -12.102 243 HG12 VAL 34 2HG1 VAL 34 -1.548 -2.131 -11.600 244 HG13 VAL 34 3HG1 VAL 34 -1.626 -3.429 -10.408 245 HG21 VAL 34 3HG2 VAL 34 -3.437 -0.864 -12.121 246 HG22 VAL 34 1HG2 VAL 34 -4.045 -2.213 -13.082 247 HG23 VAL 34 2HG2 VAL 34 -5.073 -1.466 -11.859 248 H THR 35 H THR 35 -3.014 -6.103 -11.552 249 HA THR 35 HA THR 35 -2.987 -7.014 -8.771 250 HB THR 35 HB THR 35 -2.095 -8.478 -11.263 251 HG1 THR 35 1HG THR 35 -4.411 -9.090 -9.773 252 HG21 THR 35 3HG2 THR 35 -2.755 -10.301 -9.274 253 HG22 THR 35 1HG2 THR 35 -1.849 -9.046 -8.429 254 HG23 THR 35 2HG2 THR 35 -1.130 -9.876 -9.810 255 H ILE 36 H ILE 36 -1.325 -6.387 -7.568 256 HA ILE 36 HA ILE 36 1.211 -5.683 -8.802 257 HB ILE 36 HB ILE 36 1.872 -4.971 -6.523 258 HG12 ILE 36 1HG1 ILE 36 -0.950 -5.800 -5.809 259 HG13 ILE 36 2HG1 ILE 36 0.529 -6.566 -5.238 260 HG21 ILE 36 1HG2 ILE 36 0.588 -2.997 -6.509 261 HG22 ILE 36 2HG2 ILE 36 0.636 -3.517 -8.193 262 HG23 ILE 36 3HG2 ILE 36 -0.807 -3.806 -7.223 263 HD11 ILE 36 3HD1 ILE 36 -0.154 -3.692 -4.696 264 HD12 ILE 36 1HD1 ILE 36 -0.585 -5.020 -3.619 265 HD13 ILE 36 2HD1 ILE 36 1.111 -4.667 -3.949 266 H ASP 37 H ASP 37 3.200 -6.346 -7.369 267 HA ASP 37 HA ASP 37 3.781 -8.983 -7.785 268 HB2 ASP 37 1HB ASP 37 5.435 -7.235 -7.168 269 HB3 ASP 37 2HB ASP 37 4.859 -7.312 -5.505 270 H CYS 38 H CYS 38 2.382 -7.545 -4.868 271 HA CYS 38 HA CYS 38 2.387 -9.876 -3.292 272 HB2 CYS 38 1HB CYS 38 1.204 -8.653 -1.742 273 HB3 CYS 38 2HB CYS 38 1.883 -7.347 -2.708 274 H GLY 39 H GLY 39 0.247 -8.743 -5.796 275 HA2 GLY 39 1HA GLY 39 -1.041 -10.419 -6.999 276 HA3 GLY 39 2HA GLY 39 -1.339 -11.209 -5.457 277 H HIS 40 H HIS 40 -2.166 -9.190 -3.852 278 HA HIS 40 HA HIS 40 -4.828 -8.949 -4.234 279 HB2 HIS 40 1HB HIS 40 -2.985 -6.886 -3.014 280 HB3 HIS 40 2HB HIS 40 -4.738 -6.863 -2.850 281 HD2 HIS 40 2HD HIS 40 -4.723 -10.283 -2.318 282 HE1 HIS 40 1HE HIS 40 -2.841 -9.001 1.261 283 HE2 HIS 40 2HE HIS 40 -3.960 -10.918 0.070 284 H ASN 41 H ASN 41 -6.268 -7.487 -5.161 285 HA ASN 41 HA ASN 41 -5.126 -5.891 -7.351 286 HB2 ASN 41 1HB ASN 41 -7.776 -7.278 -7.012 287 HB3 ASN 41 2HB ASN 41 -7.558 -6.007 -8.212 288 HD21 ASN 41 1HD2 ASN 41 -6.997 -9.274 -7.399 289 HD22 ASN 41 2HD2 ASN 41 -6.180 -9.734 -8.850 290 H PHE 42 H PHE 42 -5.377 -3.744 -7.387 291 HA PHE 42 HA PHE 42 -7.297 -2.538 -5.507 292 HB2 PHE 42 1HB PHE 42 -4.471 -1.656 -6.117 293 HB3 PHE 42 2HB PHE 42 -5.637 -0.661 -5.250 294 HD1 PHE 42 1HD PHE 42 -6.619 -1.589 -3.094 295 HD2 PHE 42 2HD PHE 42 -3.180 -3.229 -4.991 296 HE1 PHE 42 1HE PHE 42 -5.974 -2.672 -0.981 297 HE2 PHE 42 2HE PHE 42 -2.530 -4.316 -2.881 298 HZ PHE 42 HZ PHE 42 -3.928 -4.038 -0.873 299 H CYS 43 H CYS 43 -7.529 -0.081 -6.086 300 HA CYS 43 HA CYS 43 -8.217 0.005 -8.931 301 HB2 CYS 43 1HB CYS 43 -9.924 1.450 -8.403 302 HB3 CYS 43 2HB CYS 43 -9.804 0.566 -6.885 303 H LEU 44 H LEU 44 -7.314 1.404 -10.334 304 HA LEU 44 HA LEU 44 -4.838 2.464 -10.048 305 HB2 LEU 44 1HB LEU 44 -6.195 2.332 -12.147 306 HB3 LEU 44 2HB LEU 44 -7.021 3.802 -11.635 307 HG LEU 44 HG LEU 44 -4.825 4.978 -11.691 308 HD11 LEU 44 1HD1 LEU 44 -3.870 2.451 -13.029 309 HD12 LEU 44 2HD1 LEU 44 -3.405 2.990 -11.415 310 HD13 LEU 44 3HD1 LEU 44 -2.954 3.945 -12.828 311 HD21 LEU 44 3HD2 LEU 44 -4.714 5.114 -14.141 312 HD22 LEU 44 1HD2 LEU 44 -6.375 5.157 -13.551 313 HD23 LEU 44 2HD2 LEU 44 -5.730 3.676 -14.258 314 H LYS 45 H LYS 45 -7.828 4.380 -9.695 315 HA LYS 45 HA LYS 45 -6.865 6.795 -8.964 316 HB2 LYS 45 1HB LYS 45 -9.146 5.381 -7.570 317 HB3 LYS 45 2HB LYS 45 -8.877 7.119 -7.606 318 HG2 LYS 45 1HG LYS 45 -9.309 5.481 -10.088 319 HG3 LYS 45 2HG LYS 45 -10.625 6.234 -9.184 320 HD2 LYS 45 1HD LYS 45 -8.263 7.825 -10.135 321 HD3 LYS 45 2HD LYS 45 -9.648 7.514 -11.185 322 HE2 LYS 45 1HE LYS 45 -11.077 8.787 -9.898 323 HE3 LYS 45 2HE LYS 45 -10.105 8.594 -8.440 324 HZ1 LYS 45 3HZ LYS 45 -9.606 10.377 -10.746 325 HZ2 LYS 45 1HZ LYS 45 -8.386 9.988 -9.640 326 HZ3 LYS 45 2HZ LYS 45 -9.778 10.792 -9.115 327 H CYS 46 H CYS 46 -6.817 3.885 -7.026 328 HA CYS 46 HA CYS 46 -5.860 5.302 -4.675 329 HB2 CYS 46 1HB CYS 46 -6.798 2.552 -5.276 330 HB3 CYS 46 2HB CYS 46 -5.605 2.712 -3.991 331 H ILE 47 H ILE 47 -4.650 2.384 -6.322 332 HA ILE 47 HA ILE 47 -2.123 2.262 -5.423 333 HB ILE 47 HB ILE 47 -2.958 1.896 -8.301 334 HG12 ILE 47 1HG1 ILE 47 -2.549 -0.154 -6.116 335 HG13 ILE 47 2HG1 ILE 47 -4.119 0.499 -6.572 336 HG21 ILE 47 1HG2 ILE 47 -0.768 0.241 -7.608 337 HG22 ILE 47 2HG2 ILE 47 -0.832 1.527 -8.811 338 HG23 ILE 47 3HG2 ILE 47 -0.357 1.895 -7.153 339 HD11 ILE 47 3HD1 ILE 47 -2.799 -1.715 -7.652 340 HD12 ILE 47 1HD1 ILE 47 -4.299 -0.973 -8.209 341 HD13 ILE 47 2HD1 ILE 47 -2.755 -0.465 -8.895 342 H THR 48 H THR 48 -3.228 4.432 -7.999 343 HA THR 48 HA THR 48 -0.693 5.551 -8.566 344 HB THR 48 HB THR 48 -3.432 6.762 -8.988 345 HG1 THR 48 1HG THR 48 -2.673 5.985 -11.251 346 HG21 THR 48 3HG2 THR 48 -1.253 7.477 -10.809 347 HG22 THR 48 1HG2 THR 48 -1.023 8.050 -9.157 348 HG23 THR 48 2HG2 THR 48 -2.476 8.496 -10.052 349 H GLN 49 H GLN 49 -3.377 6.659 -6.515 350 HA GLN 49 HA GLN 49 -2.247 9.073 -5.684 351 HB2 GLN 49 1HB GLN 49 -4.631 8.083 -5.312 352 HB3 GLN 49 2HB GLN 49 -3.937 7.420 -3.839 353 HG2 GLN 49 1HG GLN 49 -4.275 10.298 -4.605 354 HG3 GLN 49 2HG GLN 49 -4.952 9.441 -3.221 355 HE21 GLN 49 1HE2 GLN 49 -3.347 8.590 -1.654 356 HE22 GLN 49 2HE2 GLN 49 -1.958 9.560 -1.318 357 H ILE 50 H ILE 50 -2.275 5.955 -3.948 358 HA ILE 50 HA ILE 50 -0.835 6.495 -1.741 359 HB ILE 50 HB ILE 50 -0.393 4.095 -3.520 360 HG12 ILE 50 1HG1 ILE 50 -2.166 4.338 -1.088 361 HG13 ILE 50 2HG1 ILE 50 -2.755 4.579 -2.729 362 HG21 ILE 50 1HG2 ILE 50 1.335 3.792 -2.095 363 HG22 ILE 50 2HG2 ILE 50 0.641 4.841 -0.859 364 HG23 ILE 50 3HG2 ILE 50 0.061 3.185 -1.038 365 HD11 ILE 50 3HD1 ILE 50 -1.283 2.082 -2.317 366 HD12 ILE 50 1HD1 ILE 50 -2.784 2.221 -1.402 367 HD13 ILE 50 2HD1 ILE 50 -2.803 2.386 -3.159 368 H GLY 51 H GLY 51 0.533 6.007 -4.976 369 HA2 GLY 51 1HA GLY 51 3.244 6.331 -4.105 370 HA3 GLY 51 2HA GLY 51 2.680 6.307 -5.769 371 H GLU 52 H GLU 52 2.451 8.412 -2.897 372 HA GLU 52 HA GLU 52 2.628 10.737 -4.678 373 HB2 GLU 52 1HB GLU 52 0.814 11.144 -3.325 374 HB3 GLU 52 2HB GLU 52 1.498 10.271 -1.962 375 HG2 GLU 52 1HG GLU 52 2.665 12.075 -1.205 376 HG3 GLU 52 2HG GLU 52 2.818 12.789 -2.809 377 H THR 53 H THR 53 3.917 9.665 -1.529 378 HA THR 53 HA THR 53 5.856 11.567 -1.145 379 HB THR 53 HB THR 53 6.123 8.621 -0.510 380 HG1 THR 53 1HG THR 53 4.248 9.614 0.399 381 HG21 THR 53 3HG2 THR 53 7.433 10.953 0.879 382 HG22 THR 53 1HG2 THR 53 8.224 10.019 -0.390 383 HG23 THR 53 2HG2 THR 53 7.747 9.234 1.116 384 H SER 54 H SER 54 8.014 11.817 -1.700 385 HA SER 54 HA SER 54 8.866 11.541 -4.219 386 HB2 SER 54 1HB SER 54 10.481 11.338 -1.680 387 HB3 SER 54 2HB SER 54 11.244 11.361 -3.270 388 HG SER 54 HG SER 54 10.462 13.393 -3.616 389 H CYS 55 H CYS 55 9.570 9.103 -1.714 390 HA CYS 55 HA CYS 55 10.711 7.240 -3.515 391 HB2 CYS 55 1HB CYS 55 11.098 7.273 -1.043 392 HB3 CYS 55 2HB CYS 55 9.460 6.670 -0.822 393 HG CYS 55 HG CYS 55 12.237 5.015 -1.546 394 H GLY 56 H GLY 56 9.661 6.228 -5.089 395 HA2 GLY 56 1HA GLY 56 6.843 6.035 -5.244 396 HA3 GLY 56 2HA GLY 56 7.989 5.194 -6.276 397 H PHE 57 H PHE 57 9.327 3.731 -4.242 398 HA PHE 57 HA PHE 57 7.991 1.371 -4.173 399 HB2 PHE 57 1HB PHE 57 9.942 2.567 -2.222 400 HB3 PHE 57 2HB PHE 57 9.282 0.954 -1.966 401 HD1 PHE 57 2HD PHE 57 11.089 3.019 -4.471 402 HD2 PHE 57 1HD PHE 57 10.261 -0.883 -2.985 403 HE1 PHE 57 2HE PHE 57 12.798 2.087 -5.976 404 HE2 PHE 57 1HE PHE 57 11.969 -1.821 -4.487 405 HZ PHE 57 HZ PHE 57 13.239 -0.336 -5.986 406 H PHE 58 H PHE 58 5.930 1.072 -3.616 407 HA PHE 58 HA PHE 58 5.035 2.126 -1.013 408 HB2 PHE 58 1HB PHE 58 2.829 2.414 -1.886 409 HB3 PHE 58 2HB PHE 58 3.935 3.154 -3.039 410 HD1 PHE 58 1HD PHE 58 4.686 1.638 -5.017 411 HD2 PHE 58 2HD PHE 58 1.229 0.937 -2.636 412 HE1 PHE 58 1HE PHE 58 3.728 0.264 -6.820 413 HE2 PHE 58 2HE PHE 58 0.265 -0.439 -4.434 414 HZ PHE 58 HZ PHE 58 1.515 -0.777 -6.529 415 H LYS 59 H LYS 59 4.490 0.652 0.447 416 HA LYS 59 HA LYS 59 4.399 -2.144 -0.303 417 HB2 LYS 59 1HB LYS 59 4.406 -2.600 2.069 418 HB3 LYS 59 2HB LYS 59 5.622 -1.378 1.717 419 HG2 LYS 59 1HG LYS 59 3.813 0.322 2.365 420 HG3 LYS 59 2HG LYS 59 2.977 -1.057 3.083 421 HD2 LYS 59 1HD LYS 59 5.853 -0.563 3.730 422 HD3 LYS 59 2HD LYS 59 4.599 0.387 4.531 423 HE2 LYS 59 1HE LYS 59 4.777 -1.354 6.001 424 HE3 LYS 59 2HE LYS 59 3.531 -1.989 4.927 425 HZ1 LYS 59 3HZ LYS 59 5.211 -3.650 5.349 426 HZ2 LYS 59 1HZ LYS 59 6.431 -2.615 4.799 427 HZ3 LYS 59 2HZ LYS 59 5.263 -3.193 3.721 428 H CYS 60 H CYS 60 2.627 -3.382 -0.466 429 HA CYS 60 HA CYS 60 0.102 -2.375 -0.844 430 HB2 CYS 60 1HB CYS 60 0.705 -4.620 -1.545 431 HB3 CYS 60 2HB CYS 60 0.884 -5.129 0.131 432 HA PRO 61 HA PRO 61 -1.320 -1.270 3.190 433 HB2 PRO 61 1HB PRO 61 -3.956 -1.023 2.588 434 HB3 PRO 61 2HB PRO 61 -2.746 0.175 2.114 435 HG2 PRO 61 1HG PRO 61 -3.967 -2.028 0.496 436 HG3 PRO 61 2HG PRO 61 -3.637 -0.349 0.031 437 HD2 PRO 61 1HD PRO 61 -2.024 -2.403 -0.685 438 HD3 PRO 61 2HD PRO 61 -1.407 -0.768 -0.375 439 H LEU 62 H LEU 62 -2.904 -3.847 1.356 440 HA LEU 62 HA LEU 62 -4.305 -4.948 3.573 441 HB2 LEU 62 1HB LEU 62 -3.571 -6.016 0.862 442 HB3 LEU 62 2HB LEU 62 -4.455 -6.978 2.045 443 HG LEU 62 HG LEU 62 -5.441 -4.324 1.017 444 HD11 LEU 62 1HD1 LEU 62 -5.098 -6.193 -0.731 445 HD12 LEU 62 2HD1 LEU 62 -6.658 -5.374 -0.652 446 HD13 LEU 62 3HD1 LEU 62 -6.464 -6.972 0.069 447 HD21 LEU 62 3HD2 LEU 62 -7.583 -5.114 1.869 448 HD22 LEU 62 1HD2 LEU 62 -6.373 -5.076 3.151 449 HD23 LEU 62 2HD2 LEU 62 -6.827 -6.612 2.413 450 H CYS 63 H CYS 63 -1.413 -6.064 1.807 451 HA CYS 63 HA CYS 63 -0.637 -7.562 4.224 452 HB2 CYS 63 1HB CYS 63 0.571 -9.104 2.762 453 HB3 CYS 63 2HB CYS 63 -1.125 -9.016 2.298 454 H LYS 64 H LYS 64 1.642 -7.695 4.691 455 HA LYS 64 HA LYS 64 2.984 -5.180 4.170 456 HB2 LYS 64 1HB LYS 64 3.378 -7.463 6.051 457 HB3 LYS 64 2HB LYS 64 4.758 -6.434 5.690 458 HG2 LYS 64 1HG LYS 64 3.365 -4.471 6.364 459 HG3 LYS 64 2HG LYS 64 2.132 -5.612 6.905 460 HD2 LYS 64 1HD LYS 64 4.083 -6.668 8.263 461 HD3 LYS 64 2HD LYS 64 4.866 -5.106 8.013 462 HE2 LYS 64 1HE LYS 64 2.925 -3.988 9.017 463 HE3 LYS 64 2HE LYS 64 2.165 -5.556 9.282 464 HZ1 LYS 64 3HZ LYS 64 3.419 -4.495 11.214 465 HZ2 LYS 64 1HZ LYS 64 4.831 -4.943 10.396 466 HZ3 LYS 64 2HZ LYS 64 3.726 -6.126 10.887 467 H THR 65 H THR 65 2.748 -6.627 1.841 468 HA THR 65 HA THR 65 5.405 -7.794 1.390 469 HB THR 65 HB THR 65 2.911 -7.930 -0.316 470 HG1 THR 65 1HG THR 65 2.523 -9.667 0.816 471 HG21 THR 65 3HG2 THR 65 5.496 -9.426 -0.723 472 HG22 THR 65 1HG2 THR 65 5.107 -7.928 -1.568 473 HG23 THR 65 2HG2 THR 65 4.101 -9.358 -1.800 474 H SER 66 H SER 66 6.848 -6.309 0.787 475 HA SER 66 HA SER 66 6.251 -3.838 -0.405 476 HB2 SER 66 1HB SER 66 8.365 -4.428 0.839 477 HB3 SER 66 2HB SER 66 8.890 -5.304 -0.599 478 HG SER 66 HG SER 66 9.296 -3.472 -1.572 479 H VAL 67 H VAL 67 6.588 -3.076 -2.526 480 HA VAL 67 HA VAL 67 6.866 -5.106 -4.625 481 HB VAL 67 HB VAL 67 4.461 -4.773 -4.338 482 HG11 VAL 67 1HG1 VAL 67 3.533 -2.793 -3.926 483 HG12 VAL 67 2HG1 VAL 67 5.163 -2.124 -3.831 484 HG13 VAL 67 3HG1 VAL 67 4.278 -2.079 -5.356 485 HG21 VAL 67 3HG2 VAL 67 5.932 -4.180 -6.772 486 HG22 VAL 67 1HG2 VAL 67 4.528 -5.218 -6.523 487 HG23 VAL 67 2HG2 VAL 67 4.310 -3.487 -6.778 488 H ARG 68 H ARG 68 8.170 -4.487 -6.233 489 HA ARG 68 HA ARG 68 9.281 -1.806 -6.161 490 HB2 ARG 68 1HB ARG 68 10.646 -3.946 -6.429 491 HB3 ARG 68 2HB ARG 68 10.023 -4.014 -8.072 492 HG2 ARG 68 1HG ARG 68 11.188 -2.124 -8.732 493 HG3 ARG 68 2HG ARG 68 11.391 -1.551 -7.075 494 HD2 ARG 68 1HD ARG 68 12.989 -3.282 -6.613 495 HD3 ARG 68 2HD ARG 68 12.685 -4.040 -8.175 496 HE ARG 68 HE ARG 68 13.610 -1.323 -8.359 497 HH11 ARG 68 2HH1 ARG 68 14.553 -4.665 -8.109 498 HH12 ARG 68 1HH1 ARG 68 16.114 -4.413 -8.816 499 HH21 ARG 68 2HH2 ARG 68 15.663 -0.978 -9.291 500 HH22 ARG 68 1HH2 ARG 68 16.745 -2.315 -9.488 501 H LYS 69 H LYS 69 7.569 -0.546 -6.935 502 HA LYS 69 HA LYS 69 6.040 -1.004 -9.205 503 HB2 LYS 69 1HB LYS 69 5.916 0.867 -7.377 504 HB3 LYS 69 2HB LYS 69 6.919 1.774 -8.502 505 HG2 LYS 69 1HG LYS 69 5.181 1.375 -10.250 506 HG3 LYS 69 2HG LYS 69 4.161 0.675 -8.991 507 HD2 LYS 69 1HD LYS 69 4.645 2.923 -7.751 508 HD3 LYS 69 2HD LYS 69 5.041 3.507 -9.369 509 HE2 LYS 69 1HE LYS 69 2.484 2.034 -8.899 510 HE3 LYS 69 2HE LYS 69 2.609 3.734 -8.453 511 HZ1 LYS 69 3HZ LYS 69 3.034 2.577 -11.153 512 HZ2 LYS 69 1HZ LYS 69 3.311 4.198 -10.754 513 HZ3 LYS 69 2HZ LYS 69 1.747 3.560 -10.664 514 H ASN 70 H ASN 70 6.767 -1.436 -11.180 515 HA ASN 70 HA ASN 70 9.187 -0.086 -12.143 516 HB2 ASN 70 1HB ASN 70 9.532 -1.870 -13.596 517 HB3 ASN 70 2HB ASN 70 8.813 -2.667 -12.200 518 HD21 ASN 70 1HD2 ASN 70 6.794 -3.557 -12.359 519 HD22 ASN 70 2HD2 ASN 70 5.951 -3.723 -13.858 520 H ALA 71 H ALA 71 5.855 -0.830 -13.114 521 HA ALA 71 HA ALA 71 5.440 1.677 -14.327 522 HB1 ALA 71 3HB ALA 71 6.527 -0.449 -16.053 523 HB2 ALA 71 1HB ALA 71 5.140 0.432 -16.695 524 HB3 ALA 71 2HB ALA 71 6.599 1.305 -16.225 525 H ILE 72 H ILE 72 3.428 1.471 -15.917 526 HA ILE 72 HA ILE 72 1.496 -0.248 -14.514 527 HB ILE 72 HB ILE 72 1.000 2.273 -16.103 528 HG12 ILE 72 1HG1 ILE 72 0.590 1.882 -13.145 529 HG13 ILE 72 2HG1 ILE 72 2.137 2.414 -13.796 530 HG21 ILE 72 1HG2 ILE 72 -0.778 0.362 -15.981 531 HG22 ILE 72 2HG2 ILE 72 -1.030 0.973 -14.347 532 HG23 ILE 72 3HG2 ILE 72 -1.259 2.040 -15.732 533 HD11 ILE 72 3HD1 ILE 72 0.236 4.094 -12.992 534 HD12 ILE 72 1HD1 ILE 72 1.370 4.477 -14.286 535 HD13 ILE 72 2HD1 ILE 72 -0.252 3.905 -14.676 536 H ARG 73 H ARG 73 1.019 -2.040 -15.594 537 HA ARG 73 HA ARG 73 0.650 -1.858 -18.511 538 HB2 ARG 73 1HB ARG 73 2.700 -3.094 -18.010 539 HB3 ARG 73 2HB ARG 73 1.807 -4.171 -16.946 540 HG2 ARG 73 1HG ARG 73 0.578 -5.078 -18.793 541 HG3 ARG 73 2HG ARG 73 1.280 -3.891 -19.895 542 HD2 ARG 73 1HD ARG 73 3.062 -5.716 -18.340 543 HD3 ARG 73 2HD ARG 73 2.247 -6.311 -19.785 544 HE ARG 73 HE ARG 73 3.374 -4.064 -20.690 545 HH11 ARG 73 2HH1 ARG 73 4.657 -6.675 -18.779 546 HH12 ARG 73 1HH1 ARG 73 6.270 -6.502 -19.388 547 HH21 ARG 73 2HH2 ARG 73 5.494 -3.826 -21.500 548 HH22 ARG 73 1HH2 ARG 73 6.745 -4.881 -20.935 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -63.288 13.254 4.787 2 HA2 GLY 1 1HA GLY 1 -62.999 11.591 6.368 3 HA3 GLY 1 2HA GLY 1 -63.856 10.634 5.169 4 H SER 2 H SER 2 -62.633 8.839 6.082 5 HA SER 2 HA SER 2 -59.814 8.781 5.258 6 HB2 SER 2 1HB SER 2 -61.367 7.042 7.185 7 HB3 SER 2 2HB SER 2 -59.696 6.734 6.714 8 HG SER 2 HG SER 2 -60.616 9.143 7.899 9 H SER 3 H SER 3 -59.130 7.498 3.656 10 HA SER 3 HA SER 3 -61.126 5.961 2.194 11 HB2 SER 3 1HB SER 3 -58.384 7.001 1.568 12 HB3 SER 3 2HB SER 3 -59.058 5.688 0.602 13 HG SER 3 HG SER 3 -60.988 7.314 0.639 14 H GLY 4 H GLY 4 -57.745 5.390 3.203 15 HA2 GLY 4 1HA GLY 4 -57.806 3.228 4.712 16 HA3 GLY 4 2HA GLY 4 -58.263 2.513 3.173 17 H SER 5 H SER 5 -56.305 1.221 3.528 18 HA SER 5 HA SER 5 -54.099 2.332 2.069 19 HB2 SER 5 1HB SER 5 -52.406 1.902 3.853 20 HB3 SER 5 2HB SER 5 -53.513 3.217 4.249 21 HG SER 5 HG SER 5 -53.166 1.712 5.985 22 H SER 6 H SER 6 -52.276 0.678 1.916 23 HA SER 6 HA SER 6 -53.206 -2.072 2.274 24 HB2 SER 6 1HB SER 6 -52.209 -1.010 -0.381 25 HB3 SER 6 2HB SER 6 -52.680 -2.673 -0.034 26 HG SER 6 HG SER 6 -54.663 -2.119 -0.399 27 H GLY 7 H GLY 7 -51.346 -3.597 1.401 28 HA2 GLY 7 1HA GLY 7 -48.934 -2.699 2.792 29 HA3 GLY 7 2HA GLY 7 -49.324 -4.356 2.355 30 H MET 8 H MET 8 -47.266 -4.673 1.449 31 HA MET 8 HA MET 8 -46.886 -3.321 -1.141 32 HB2 MET 8 1HB MET 8 -44.492 -3.432 -0.840 33 HB3 MET 8 2HB MET 8 -45.206 -2.619 0.546 34 HG2 MET 8 1HG MET 8 -44.731 -5.548 0.707 35 HG3 MET 8 2HG MET 8 -43.354 -4.455 0.833 36 HE1 MET 8 3HE MET 8 -42.459 -4.048 2.959 37 HE2 MET 8 1HE MET 8 -43.267 -4.295 4.507 38 HE3 MET 8 2HE MET 8 -43.030 -5.655 3.409 39 H ALA 9 H ALA 9 -45.399 -4.644 -2.609 40 HA ALA 9 HA ALA 9 -45.500 -7.510 -2.215 41 HB1 ALA 9 3HB ALA 9 -46.870 -6.404 -4.650 42 HB2 ALA 9 1HB ALA 9 -46.869 -8.062 -4.047 43 HB3 ALA 9 2HB ALA 9 -47.744 -6.805 -3.172 44 H SER 10 H SER 10 -44.268 -8.686 -3.799 45 HA SER 10 HA SER 10 -42.422 -6.984 -5.343 46 HB2 SER 10 1HB SER 10 -40.585 -8.380 -4.753 47 HB3 SER 10 2HB SER 10 -41.443 -8.047 -3.248 48 HG SER 10 HG SER 10 -40.990 -10.242 -3.368 49 H GLY 11 H GLY 11 -41.280 -8.222 -7.104 50 HA2 GLY 11 1HA GLY 11 -43.233 -10.003 -8.413 51 HA3 GLY 11 2HA GLY 11 -42.092 -8.968 -9.259 52 H GLN 12 H GLN 12 -42.054 -11.382 -10.189 53 HA GLN 12 HA GLN 12 -39.748 -12.693 -8.906 54 HB2 GLN 12 1HB GLN 12 -41.977 -13.945 -8.844 55 HB3 GLN 12 2HB GLN 12 -41.797 -14.130 -10.584 56 HG2 GLN 12 1HG GLN 12 -40.079 -15.612 -10.394 57 HG3 GLN 12 2HG GLN 12 -39.532 -14.952 -8.854 58 HE21 GLN 12 1HE2 GLN 12 -39.460 -16.858 -7.756 59 HE22 GLN 12 2HE2 GLN 12 -40.859 -17.794 -7.370 60 H PHE 13 H PHE 13 -37.973 -12.483 -10.082 61 HA PHE 13 HA PHE 13 -38.099 -12.878 -12.967 62 HB2 PHE 13 1HB PHE 13 -36.540 -10.853 -13.232 63 HB3 PHE 13 2HB PHE 13 -38.252 -10.531 -12.978 64 HD1 PHE 13 2HD PHE 13 -35.034 -10.826 -11.138 65 HD2 PHE 13 1HD PHE 13 -38.917 -9.091 -11.295 66 HE1 PHE 13 2HE PHE 13 -34.475 -9.408 -9.207 67 HE2 PHE 13 1HE PHE 13 -38.364 -7.669 -9.365 68 HZ PHE 13 HZ PHE 13 -36.141 -7.827 -8.317 69 H VAL 14 H VAL 14 -35.935 -13.157 -13.929 70 HA VAL 14 HA VAL 14 -34.425 -15.091 -12.764 71 HB VAL 14 HB VAL 14 -33.385 -12.929 -14.600 72 HG11 VAL 14 1HG1 VAL 14 -31.741 -14.451 -13.272 73 HG12 VAL 14 2HG1 VAL 14 -32.250 -15.686 -14.426 74 HG13 VAL 14 3HG1 VAL 14 -31.500 -14.197 -15.000 75 HG21 VAL 14 3HG2 VAL 14 -35.039 -15.331 -15.007 76 HG22 VAL 14 1HG2 VAL 14 -34.920 -13.856 -15.967 77 HG23 VAL 14 2HG2 VAL 14 -33.707 -15.123 -16.143 78 H ASN 15 H ASN 15 -33.548 -15.084 -10.797 79 HA ASN 15 HA ASN 15 -32.666 -12.737 -9.463 80 HB2 ASN 15 1HB ASN 15 -31.577 -14.576 -7.922 81 HB3 ASN 15 2HB ASN 15 -33.325 -14.363 -7.960 82 HD21 ASN 15 1HD2 ASN 15 -34.196 -16.294 -7.740 83 HD22 ASN 15 2HD2 ASN 15 -33.759 -17.710 -8.629 84 H LYS 16 H LYS 16 -31.187 -11.862 -11.032 85 HA LYS 16 HA LYS 16 -28.709 -13.295 -11.512 86 HB2 LYS 16 1HB LYS 16 -29.721 -11.976 -13.320 87 HB3 LYS 16 2HB LYS 16 -29.574 -10.519 -12.345 88 HG2 LYS 16 1HG LYS 16 -27.113 -12.088 -12.885 89 HG3 LYS 16 2HG LYS 16 -27.808 -11.140 -14.202 90 HD2 LYS 16 1HD LYS 16 -27.488 -9.829 -11.552 91 HD3 LYS 16 2HD LYS 16 -26.037 -10.112 -12.517 92 HE2 LYS 16 1HE LYS 16 -26.623 -8.057 -13.314 93 HE3 LYS 16 2HE LYS 16 -27.544 -9.070 -14.425 94 HZ1 LYS 16 3HZ LYS 16 -28.858 -8.284 -11.941 95 HZ2 LYS 16 1HZ LYS 16 -29.503 -8.473 -13.494 96 HZ3 LYS 16 2HZ LYS 16 -28.634 -7.075 -13.104 97 H LEU 17 H LEU 17 -26.749 -12.841 -10.624 98 HA LEU 17 HA LEU 17 -26.722 -10.835 -8.467 99 HB2 LEU 17 1HB LEU 17 -24.672 -12.340 -7.764 100 HB3 LEU 17 2HB LEU 17 -26.326 -12.746 -7.308 101 HG LEU 17 HG LEU 17 -24.955 -14.680 -8.077 102 HD11 LEU 17 1HD1 LEU 17 -26.915 -14.845 -10.123 103 HD12 LEU 17 2HD1 LEU 17 -27.610 -13.966 -8.761 104 HD13 LEU 17 3HD1 LEU 17 -26.931 -15.576 -8.518 105 HD21 LEU 17 3HD2 LEU 17 -23.916 -14.740 -10.056 106 HD22 LEU 17 1HD2 LEU 17 -24.127 -12.989 -10.066 107 HD23 LEU 17 2HD2 LEU 17 -25.287 -14.022 -10.902 108 H GLN 18 H GLN 18 -24.479 -9.990 -7.980 109 HA GLN 18 HA GLN 18 -22.943 -9.624 -10.465 110 HB2 GLN 18 1HB GLN 18 -23.876 -7.569 -8.483 111 HB3 GLN 18 2HB GLN 18 -22.452 -7.281 -9.474 112 HG2 GLN 18 1HG GLN 18 -25.036 -8.090 -10.737 113 HG3 GLN 18 2HG GLN 18 -24.751 -6.415 -10.266 114 HE21 GLN 18 1HE2 GLN 18 -23.910 -8.966 -12.440 115 HE22 GLN 18 2HE2 GLN 18 -22.962 -8.014 -13.526 116 H GLU 19 H GLU 19 -21.251 -10.949 -10.004 117 HA GLU 19 HA GLU 19 -19.958 -10.825 -7.407 118 HB2 GLU 19 1HB GLU 19 -20.318 -12.972 -8.701 119 HB3 GLU 19 2HB GLU 19 -19.085 -12.410 -9.821 120 HG2 GLU 19 1HG GLU 19 -17.844 -13.730 -8.433 121 HG3 GLU 19 2HG GLU 19 -17.646 -12.159 -7.659 122 H GLU 20 H GLU 20 -19.836 -8.391 -8.709 123 HA GLU 20 HA GLU 20 -17.403 -8.067 -10.162 124 HB2 GLU 20 1HB GLU 20 -17.843 -5.713 -10.064 125 HB3 GLU 20 2HB GLU 20 -19.372 -6.537 -10.336 126 HG2 GLU 20 1HG GLU 20 -19.711 -6.388 -7.817 127 HG3 GLU 20 2HG GLU 20 -18.373 -5.240 -7.826 128 H VAL 21 H VAL 21 -15.761 -6.380 -9.342 129 HA VAL 21 HA VAL 21 -15.052 -7.059 -6.561 130 HB VAL 21 HB VAL 21 -13.547 -7.979 -8.380 131 HG11 VAL 21 1HG1 VAL 21 -12.842 -5.060 -8.655 132 HG12 VAL 21 2HG1 VAL 21 -11.911 -6.394 -9.339 133 HG13 VAL 21 3HG1 VAL 21 -13.560 -6.094 -9.890 134 HG21 VAL 21 3HG2 VAL 21 -12.487 -6.180 -6.214 135 HG22 VAL 21 1HG2 VAL 21 -12.711 -7.929 -6.170 136 HG23 VAL 21 2HG2 VAL 21 -11.447 -7.227 -7.180 137 H ILE 22 H ILE 22 -14.527 -5.445 -5.179 138 HA ILE 22 HA ILE 22 -14.492 -2.702 -6.260 139 HB ILE 22 HB ILE 22 -15.406 -3.191 -3.466 140 HG12 ILE 22 1HG1 ILE 22 -17.235 -3.445 -5.861 141 HG13 ILE 22 2HG1 ILE 22 -16.659 -4.808 -4.907 142 HG21 ILE 22 1HG2 ILE 22 -16.145 -1.196 -5.602 143 HG22 ILE 22 2HG2 ILE 22 -16.795 -1.218 -3.964 144 HG23 ILE 22 3HG2 ILE 22 -15.077 -0.918 -4.226 145 HD11 ILE 22 3HD1 ILE 22 -17.837 -2.798 -3.218 146 HD12 ILE 22 1HD1 ILE 22 -18.955 -3.305 -4.484 147 HD13 ILE 22 2HD1 ILE 22 -18.249 -4.503 -3.399 148 H CYS 23 H CYS 23 -13.244 -1.150 -5.070 149 HA CYS 23 HA CYS 23 -10.763 -2.234 -4.131 150 HB2 CYS 23 1HB CYS 23 -10.970 -0.129 -5.480 151 HB3 CYS 23 2HB CYS 23 -11.681 0.646 -4.069 152 HA PRO 24 HA PRO 24 -12.132 -2.519 0.109 153 HB2 PRO 24 1HB PRO 24 -9.791 -3.501 1.072 154 HB3 PRO 24 2HB PRO 24 -10.961 -4.495 0.197 155 HG2 PRO 24 1HG PRO 24 -8.451 -3.204 -0.801 156 HG3 PRO 24 2HG PRO 24 -9.077 -4.832 -1.123 157 HD2 PRO 24 1HD PRO 24 -9.346 -2.793 -2.884 158 HD3 PRO 24 2HD PRO 24 -10.554 -4.084 -2.726 159 H ILE 25 H ILE 25 -10.124 -0.319 -1.289 160 HA ILE 25 HA ILE 25 -9.154 0.814 1.232 161 HB ILE 25 HB ILE 25 -8.536 1.593 -1.620 162 HG12 ILE 25 1HG1 ILE 25 -6.857 0.202 0.479 163 HG13 ILE 25 2HG1 ILE 25 -7.567 -0.562 -0.940 164 HG21 ILE 25 1HG2 ILE 25 -7.465 2.666 0.985 165 HG22 ILE 25 2HG2 ILE 25 -6.779 3.014 -0.602 166 HG23 ILE 25 3HG2 ILE 25 -8.417 3.541 -0.214 167 HD11 ILE 25 3HD1 ILE 25 -6.208 1.074 -2.315 168 HD12 ILE 25 1HD1 ILE 25 -5.345 1.446 -0.823 169 HD13 ILE 25 2HD1 ILE 25 -5.318 -0.194 -1.472 170 H CYS 26 H CYS 26 -10.860 1.875 -1.714 171 HA CYS 26 HA CYS 26 -12.014 4.090 -0.163 172 HB2 CYS 26 1HB CYS 26 -12.582 5.037 -2.427 173 HB3 CYS 26 2HB CYS 26 -10.859 4.904 -2.092 174 H LEU 27 H LEU 27 -12.744 1.123 -1.694 175 HA LEU 27 HA LEU 27 -14.664 -0.099 -1.793 176 HB2 LEU 27 1HB LEU 27 -16.169 2.126 -0.470 177 HB3 LEU 27 2HB LEU 27 -16.456 0.389 -0.385 178 HG LEU 27 HG LEU 27 -14.071 1.738 0.869 179 HD11 LEU 27 1HD1 LEU 27 -15.281 2.354 2.627 180 HD12 LEU 27 2HD1 LEU 27 -16.079 0.784 2.712 181 HD13 LEU 27 3HD1 LEU 27 -16.719 2.042 1.655 182 HD21 LEU 27 3HD2 LEU 27 -14.488 -0.894 0.297 183 HD22 LEU 27 1HD2 LEU 27 -15.122 -0.777 1.939 184 HD23 LEU 27 2HD2 LEU 27 -13.461 -0.292 1.599 185 H ASP 28 H ASP 28 -13.929 1.454 -3.965 186 HA ASP 28 HA ASP 28 -16.537 2.326 -5.026 187 HB2 ASP 28 1HB ASP 28 -15.010 4.208 -4.888 188 HB3 ASP 28 2HB ASP 28 -13.766 3.302 -5.746 189 H ILE 29 H ILE 29 -17.189 1.571 -7.004 190 HA ILE 29 HA ILE 29 -16.590 -0.935 -7.842 191 HB ILE 29 HB ILE 29 -17.334 1.335 -9.690 192 HG12 ILE 29 1HG1 ILE 29 -19.039 1.368 -8.119 193 HG13 ILE 29 2HG1 ILE 29 -19.666 0.207 -9.284 194 HG21 ILE 29 1HG2 ILE 29 -18.068 -1.542 -10.069 195 HG22 ILE 29 2HG2 ILE 29 -18.018 -0.239 -11.254 196 HG23 ILE 29 3HG2 ILE 29 -16.517 -0.925 -10.634 197 HD11 ILE 29 3HD1 ILE 29 -18.783 -1.614 -7.849 198 HD12 ILE 29 1HD1 ILE 29 -18.341 -0.396 -6.654 199 HD13 ILE 29 2HD1 ILE 29 -20.035 -0.636 -7.084 200 H LEU 30 H LEU 30 -14.524 -1.625 -8.025 201 HA LEU 30 HA LEU 30 -12.362 -0.196 -9.053 202 HB2 LEU 30 1HB LEU 30 -12.952 -3.066 -8.568 203 HB3 LEU 30 2HB LEU 30 -11.556 -2.671 -9.569 204 HG LEU 30 HG LEU 30 -11.955 -1.596 -6.782 205 HD11 LEU 30 1HD1 LEU 30 -11.798 -4.124 -6.937 206 HD12 LEU 30 2HD1 LEU 30 -10.596 -3.315 -5.932 207 HD13 LEU 30 3HD1 LEU 30 -10.159 -3.881 -7.544 208 HD21 LEU 30 3HD2 LEU 30 -9.634 -1.015 -6.913 209 HD22 LEU 30 1HD2 LEU 30 -10.450 -0.355 -8.330 210 HD23 LEU 30 2HD2 LEU 30 -9.471 -1.815 -8.477 211 H GLN 31 H GLN 31 -13.128 0.842 -10.954 212 HA GLN 31 HA GLN 31 -14.014 -0.653 -13.221 213 HB2 GLN 31 1HB GLN 31 -14.577 1.758 -12.742 214 HB3 GLN 31 2HB GLN 31 -12.928 2.164 -13.200 215 HG2 GLN 31 1HG GLN 31 -14.618 0.601 -15.089 216 HG3 GLN 31 2HG GLN 31 -14.879 2.336 -14.924 217 HE21 GLN 31 1HE2 GLN 31 -13.047 3.739 -15.306 218 HE22 GLN 31 2HE2 GLN 31 -11.830 3.258 -16.433 219 H LYS 32 H LYS 32 -10.936 0.667 -12.148 220 HA LYS 32 HA LYS 32 -9.619 -0.839 -14.304 221 HB2 LYS 32 1HB LYS 32 -7.862 1.164 -14.001 222 HB3 LYS 32 2HB LYS 32 -9.164 1.208 -15.182 223 HG2 LYS 32 1HG LYS 32 -9.309 3.279 -14.168 224 HG3 LYS 32 2HG LYS 32 -10.527 2.336 -13.306 225 HD2 LYS 32 1HD LYS 32 -8.699 1.846 -11.597 226 HD3 LYS 32 2HD LYS 32 -7.776 3.130 -12.383 227 HE2 LYS 32 1HE LYS 32 -8.831 4.321 -10.734 228 HE3 LYS 32 2HE LYS 32 -9.996 4.491 -12.046 229 HZ1 LYS 32 3HZ LYS 32 -10.319 2.193 -10.281 230 HZ2 LYS 32 1HZ LYS 32 -11.491 3.168 -11.015 231 HZ3 LYS 32 2HZ LYS 32 -10.687 3.710 -9.629 232 HA PRO 33 HA PRO 33 -7.967 -1.864 -10.050 233 HB2 PRO 33 1HB PRO 33 -8.294 -4.549 -10.284 234 HB3 PRO 33 2HB PRO 33 -9.560 -3.477 -9.676 235 HG2 PRO 33 1HG PRO 33 -9.216 -4.639 -12.413 236 HG3 PRO 33 2HG PRO 33 -10.692 -4.478 -11.444 237 HD2 PRO 33 1HD PRO 33 -10.072 -2.767 -13.449 238 HD3 PRO 33 2HD PRO 33 -10.967 -2.259 -12.003 239 H VAL 34 H VAL 34 -5.939 -2.720 -9.600 240 HA VAL 34 HA VAL 34 -4.434 -3.845 -11.863 241 HB VAL 34 HB VAL 34 -3.455 -1.673 -10.004 242 HG11 VAL 34 1HG1 VAL 34 -1.354 -1.781 -11.173 243 HG12 VAL 34 2HG1 VAL 34 -1.735 -3.382 -10.534 244 HG13 VAL 34 3HG1 VAL 34 -1.971 -3.036 -12.247 245 HG21 VAL 34 3HG2 VAL 34 -4.975 -1.343 -12.208 246 HG22 VAL 34 1HG2 VAL 34 -3.766 -0.178 -11.666 247 HG23 VAL 34 2HG2 VAL 34 -3.367 -1.340 -12.932 248 H THR 35 H THR 35 -3.269 -5.597 -11.372 249 HA THR 35 HA THR 35 -3.166 -6.435 -8.570 250 HB THR 35 HB THR 35 -2.493 -8.076 -11.017 251 HG1 THR 35 1HG THR 35 -4.664 -7.530 -11.140 252 HG21 THR 35 3HG2 THR 35 -3.487 -9.392 -8.599 253 HG22 THR 35 1HG2 THR 35 -1.939 -8.578 -8.380 254 HG23 THR 35 2HG2 THR 35 -2.120 -9.806 -9.633 255 H ILE 36 H ILE 36 -1.379 -5.990 -7.472 256 HA ILE 36 HA ILE 36 1.123 -5.488 -8.850 257 HB ILE 36 HB ILE 36 1.991 -4.930 -6.591 258 HG12 ILE 36 1HG1 ILE 36 -0.858 -5.474 -5.726 259 HG13 ILE 36 2HG1 ILE 36 0.546 -6.445 -5.296 260 HG21 ILE 36 1HG2 ILE 36 -0.533 -3.394 -6.804 261 HG22 ILE 36 2HG2 ILE 36 1.131 -2.829 -6.666 262 HG23 ILE 36 3HG2 ILE 36 0.526 -3.415 -8.215 263 HD11 ILE 36 3HD1 ILE 36 -0.160 -4.946 -3.493 264 HD12 ILE 36 1HD1 ILE 36 1.478 -4.602 -4.048 265 HD13 ILE 36 2HD1 ILE 36 0.142 -3.562 -4.543 266 H ASP 37 H ASP 37 3.082 -6.330 -7.291 267 HA ASP 37 HA ASP 37 3.360 -9.050 -7.889 268 HB2 ASP 37 1HB ASP 37 5.306 -7.643 -7.603 269 HB3 ASP 37 2HB ASP 37 4.875 -7.322 -5.925 270 H CYS 38 H CYS 38 2.545 -7.429 -4.844 271 HA CYS 38 HA CYS 38 2.584 -9.497 -3.066 272 HB2 CYS 38 1HB CYS 38 1.260 -8.206 -1.694 273 HB3 CYS 38 2HB CYS 38 1.796 -6.986 -2.844 274 H GLY 39 H GLY 39 -0.024 -8.730 -5.350 275 HA2 GLY 39 1HA GLY 39 -1.146 -10.600 -6.446 276 HA3 GLY 39 2HA GLY 39 -1.051 -11.465 -4.919 277 H HIS 40 H HIS 40 -1.961 -8.086 -5.255 278 HA HIS 40 HA HIS 40 -4.738 -8.806 -4.603 279 HB2 HIS 40 1HB HIS 40 -2.999 -6.732 -3.271 280 HB3 HIS 40 2HB HIS 40 -4.755 -6.712 -3.150 281 HD2 HIS 40 2HD HIS 40 -4.798 -10.140 -2.774 282 HE1 HIS 40 1HE HIS 40 -2.940 -9.067 0.886 283 HE2 HIS 40 2HE HIS 40 -4.077 -10.903 -0.410 284 H ASN 41 H ASN 41 -6.337 -7.289 -5.263 285 HA ASN 41 HA ASN 41 -5.459 -5.644 -7.532 286 HB2 ASN 41 1HB ASN 41 -7.990 -7.102 -6.884 287 HB3 ASN 41 2HB ASN 41 -8.067 -5.691 -7.936 288 HD21 ASN 41 1HD2 ASN 41 -7.232 -8.986 -7.662 289 HD22 ASN 41 2HD2 ASN 41 -6.691 -9.221 -9.286 290 H PHE 42 H PHE 42 -5.589 -3.497 -7.451 291 HA PHE 42 HA PHE 42 -7.381 -2.251 -5.487 292 HB2 PHE 42 1HB PHE 42 -4.451 -1.635 -5.888 293 HB3 PHE 42 2HB PHE 42 -5.556 -0.564 -5.032 294 HD1 PHE 42 1HD PHE 42 -6.851 -1.603 -3.046 295 HD2 PHE 42 2HD PHE 42 -3.323 -3.284 -4.732 296 HE1 PHE 42 1HE PHE 42 -6.460 -2.858 -0.966 297 HE2 PHE 42 2HE PHE 42 -2.927 -4.544 -2.656 298 HZ PHE 42 HZ PHE 42 -4.496 -4.332 -0.770 299 H CYS 43 H CYS 43 -7.696 0.102 -5.916 300 HA CYS 43 HA CYS 43 -8.059 0.499 -8.776 301 HB2 CYS 43 1HB CYS 43 -9.723 1.991 -8.248 302 HB3 CYS 43 2HB CYS 43 -9.756 0.990 -6.800 303 H LEU 44 H LEU 44 -7.036 2.002 -9.992 304 HA LEU 44 HA LEU 44 -4.516 2.885 -9.435 305 HB2 LEU 44 1HB LEU 44 -5.530 2.957 -11.655 306 HB3 LEU 44 2HB LEU 44 -6.573 4.282 -11.142 307 HG LEU 44 HG LEU 44 -4.530 5.674 -10.815 308 HD11 LEU 44 1HD1 LEU 44 -2.883 3.947 -10.498 309 HD12 LEU 44 2HD1 LEU 44 -2.455 4.905 -11.915 310 HD13 LEU 44 3HD1 LEU 44 -3.184 3.312 -12.116 311 HD21 LEU 44 3HD2 LEU 44 -5.459 4.610 -13.422 312 HD22 LEU 44 1HD2 LEU 44 -4.002 5.604 -13.418 313 HD23 LEU 44 2HD2 LEU 44 -5.514 6.253 -12.781 314 H LYS 45 H LYS 45 -7.497 4.799 -9.057 315 HA LYS 45 HA LYS 45 -6.485 7.159 -8.131 316 HB2 LYS 45 1HB LYS 45 -8.755 7.291 -8.292 317 HB3 LYS 45 2HB LYS 45 -9.001 5.666 -7.665 318 HG2 LYS 45 1HG LYS 45 -9.052 6.358 -5.493 319 HG3 LYS 45 2HG LYS 45 -8.012 7.752 -5.796 320 HD2 LYS 45 1HD LYS 45 -10.825 7.549 -6.851 321 HD3 LYS 45 2HD LYS 45 -10.438 8.260 -5.282 322 HE2 LYS 45 1HE LYS 45 -8.955 9.872 -6.404 323 HE3 LYS 45 2HE LYS 45 -9.400 9.178 -7.962 324 HZ1 LYS 45 3HZ LYS 45 -11.763 9.747 -7.330 325 HZ2 LYS 45 1HZ LYS 45 -10.751 11.054 -7.690 326 HZ3 LYS 45 2HZ LYS 45 -11.115 10.686 -6.080 327 H CYS 46 H CYS 46 -6.583 4.104 -6.478 328 HA CYS 46 HA CYS 46 -5.791 5.316 -3.943 329 HB2 CYS 46 1HB CYS 46 -6.817 2.663 -4.795 330 HB3 CYS 46 2HB CYS 46 -5.728 2.684 -3.412 331 H ILE 47 H ILE 47 -4.621 2.476 -5.753 332 HA ILE 47 HA ILE 47 -2.188 2.099 -4.692 333 HB ILE 47 HB ILE 47 -2.750 2.114 -7.659 334 HG12 ILE 47 1HG1 ILE 47 -2.795 -0.197 -5.711 335 HG13 ILE 47 2HG1 ILE 47 -4.234 0.676 -6.226 336 HG21 ILE 47 1HG2 ILE 47 -0.648 0.480 -6.284 337 HG22 ILE 47 2HG2 ILE 47 -0.811 0.864 -7.997 338 HG23 ILE 47 3HG2 ILE 47 -0.311 2.113 -6.857 339 HD11 ILE 47 3HD1 ILE 47 -2.940 -0.041 -8.583 340 HD12 ILE 47 1HD1 ILE 47 -2.813 -1.451 -7.532 341 HD13 ILE 47 2HD1 ILE 47 -4.396 -0.762 -7.897 342 H THR 48 H THR 48 -3.081 4.760 -6.789 343 HA THR 48 HA THR 48 -0.374 5.728 -7.049 344 HB THR 48 HB THR 48 -2.966 7.113 -7.762 345 HG1 THR 48 1HG THR 48 -2.488 5.073 -8.878 346 HG21 THR 48 3HG2 THR 48 -0.394 8.151 -7.596 347 HG22 THR 48 1HG2 THR 48 -1.753 8.849 -8.475 348 HG23 THR 48 2HG2 THR 48 -0.610 7.796 -9.309 349 H GLN 49 H GLN 49 -3.344 7.039 -5.563 350 HA GLN 49 HA GLN 49 -2.389 9.262 -4.339 351 HB2 GLN 49 1HB GLN 49 -4.447 7.258 -3.512 352 HB3 GLN 49 2HB GLN 49 -4.016 8.546 -2.396 353 HG2 GLN 49 1HG GLN 49 -4.765 9.180 -5.217 354 HG3 GLN 49 2HG GLN 49 -6.007 8.868 -4.005 355 HE21 GLN 49 1HE2 GLN 49 -5.305 10.063 -1.818 356 HE22 GLN 49 2HE2 GLN 49 -5.016 11.753 -2.036 357 H ILE 50 H ILE 50 -2.187 5.960 -3.044 358 HA ILE 50 HA ILE 50 -1.107 6.345 -0.588 359 HB ILE 50 HB ILE 50 -0.185 4.295 -2.606 360 HG12 ILE 50 1HG1 ILE 50 -2.162 3.935 -0.356 361 HG13 ILE 50 2HG1 ILE 50 -2.659 4.412 -1.976 362 HG21 ILE 50 1HG2 ILE 50 0.008 3.300 0.015 363 HG22 ILE 50 2HG2 ILE 50 1.320 3.658 -1.106 364 HG23 ILE 50 3HG2 ILE 50 0.767 4.892 0.026 365 HD11 ILE 50 3HD1 ILE 50 -0.934 2.093 -2.021 366 HD12 ILE 50 1HD1 ILE 50 -2.368 1.838 -1.025 367 HD13 ILE 50 2HD1 ILE 50 -2.540 2.325 -2.712 368 H GLY 51 H GLY 51 0.681 6.421 -3.658 369 HA2 GLY 51 1HA GLY 51 3.261 6.612 -2.954 370 HA3 GLY 51 2HA GLY 51 2.569 7.672 -4.173 371 H GLU 52 H GLU 52 4.739 8.193 -2.286 372 HA GLU 52 HA GLU 52 3.527 10.380 -0.729 373 HB2 GLU 52 1HB GLU 52 5.446 10.252 0.761 374 HB3 GLU 52 2HB GLU 52 4.661 8.684 0.646 375 HG2 GLU 52 1HG GLU 52 6.388 8.031 -1.034 376 HG3 GLU 52 2HG GLU 52 7.217 9.545 -0.680 377 H THR 53 H THR 53 6.328 9.485 -2.709 378 HA THR 53 HA THR 53 6.677 12.341 -3.350 379 HB THR 53 HB THR 53 8.867 10.265 -3.143 380 HG1 THR 53 1HG THR 53 9.462 11.996 -1.447 381 HG21 THR 53 3HG2 THR 53 10.384 12.173 -3.484 382 HG22 THR 53 1HG2 THR 53 8.992 13.224 -3.741 383 HG23 THR 53 2HG2 THR 53 9.332 11.916 -4.875 384 H SER 54 H SER 54 7.350 9.043 -4.515 385 HA SER 54 HA SER 54 6.451 9.820 -7.172 386 HB2 SER 54 1HB SER 54 9.255 8.922 -6.541 387 HB3 SER 54 2HB SER 54 8.547 8.656 -8.134 388 HG SER 54 HG SER 54 8.559 10.766 -8.516 389 H CYS 55 H CYS 55 5.341 8.231 -8.131 390 HA CYS 55 HA CYS 55 4.581 5.923 -6.797 391 HB2 CYS 55 1HB CYS 55 3.440 7.015 -8.781 392 HB3 CYS 55 2HB CYS 55 4.622 6.206 -9.803 393 HG CYS 55 HG CYS 55 3.085 4.184 -10.136 394 H GLY 56 H GLY 56 6.126 4.565 -6.043 395 HA2 GLY 56 1HA GLY 56 7.378 2.790 -7.903 396 HA3 GLY 56 2HA GLY 56 8.541 3.885 -7.169 397 H PHE 57 H PHE 57 8.503 3.964 -4.745 398 HA PHE 57 HA PHE 57 8.410 1.227 -3.747 399 HB2 PHE 57 1HB PHE 57 9.465 3.704 -2.371 400 HB3 PHE 57 2HB PHE 57 9.743 2.032 -1.895 401 HD1 PHE 57 1HD PHE 57 10.553 0.641 -4.205 402 HD2 PHE 57 2HD PHE 57 11.386 4.677 -3.141 403 HE1 PHE 57 1HE PHE 57 12.585 0.584 -5.591 404 HE2 PHE 57 2HE PHE 57 13.418 4.627 -4.526 405 HZ PHE 57 HZ PHE 57 14.020 2.579 -5.755 406 H PHE 58 H PHE 58 6.542 0.569 -2.916 407 HA PHE 58 HA PHE 58 5.340 2.020 -0.742 408 HB2 PHE 58 1HB PHE 58 3.226 2.470 -1.681 409 HB3 PHE 58 2HB PHE 58 4.374 3.009 -2.902 410 HD1 PHE 58 1HD PHE 58 5.103 0.859 -4.480 411 HD2 PHE 58 2HD PHE 58 1.361 1.484 -2.551 412 HE1 PHE 58 1HE PHE 58 4.007 -0.582 -6.147 413 HE2 PHE 58 2HE PHE 58 0.259 0.044 -4.214 414 HZ PHE 58 HZ PHE 58 1.582 -0.992 -6.014 415 H LYS 59 H LYS 59 4.297 0.681 0.640 416 HA LYS 59 HA LYS 59 4.311 -2.160 -0.027 417 HB2 LYS 59 1HB LYS 59 3.929 -2.497 2.391 418 HB3 LYS 59 2HB LYS 59 5.363 -1.532 2.067 419 HG2 LYS 59 1HG LYS 59 4.423 0.395 2.894 420 HG3 LYS 59 2HG LYS 59 2.772 -0.159 2.603 421 HD2 LYS 59 1HD LYS 59 2.953 -0.312 4.908 422 HD3 LYS 59 2HD LYS 59 3.327 -1.957 4.388 423 HE2 LYS 59 1HE LYS 59 4.939 -1.356 6.030 424 HE3 LYS 59 2HE LYS 59 5.754 -1.327 4.467 425 HZ1 LYS 59 3HZ LYS 59 6.076 0.880 4.578 426 HZ2 LYS 59 1HZ LYS 59 5.895 0.649 6.244 427 HZ3 LYS 59 2HZ LYS 59 4.587 1.188 5.318 428 H CYS 60 H CYS 60 2.520 -3.432 -0.120 429 HA CYS 60 HA CYS 60 0.043 -2.249 -0.744 430 HB2 CYS 60 1HB CYS 60 0.503 -4.375 -1.691 431 HB3 CYS 60 2HB CYS 60 0.851 -5.085 -0.118 432 HA PRO 61 HA PRO 61 -1.703 -1.562 3.244 433 HB2 PRO 61 1HB PRO 61 -4.313 -1.412 2.514 434 HB3 PRO 61 2HB PRO 61 -3.149 -0.122 2.189 435 HG2 PRO 61 1HG PRO 61 -4.159 -2.268 0.361 436 HG3 PRO 61 2HG PRO 61 -3.899 -0.546 0.029 437 HD2 PRO 61 1HD PRO 61 -2.139 -2.457 -0.731 438 HD3 PRO 61 2HD PRO 61 -1.631 -0.817 -0.279 439 H LEU 62 H LEU 62 -3.536 -3.853 1.207 440 HA LEU 62 HA LEU 62 -4.808 -5.234 3.256 441 HB2 LEU 62 1HB LEU 62 -3.979 -5.996 0.482 442 HB3 LEU 62 2HB LEU 62 -4.741 -7.176 1.547 443 HG LEU 62 HG LEU 62 -5.986 -4.549 0.739 444 HD11 LEU 62 1HD1 LEU 62 -6.873 -7.227 -0.248 445 HD12 LEU 62 2HD1 LEU 62 -5.574 -6.362 -1.070 446 HD13 LEU 62 3HD1 LEU 62 -7.171 -5.626 -0.926 447 HD21 LEU 62 3HD2 LEU 62 -7.412 -4.977 2.385 448 HD22 LEU 62 1HD2 LEU 62 -6.617 -6.512 2.738 449 HD23 LEU 62 2HD2 LEU 62 -7.899 -6.440 1.528 450 H CYS 63 H CYS 63 -1.610 -5.706 1.847 451 HA CYS 63 HA CYS 63 -0.900 -7.364 4.151 452 HB2 CYS 63 1HB CYS 63 0.171 -9.046 2.797 453 HB3 CYS 63 2HB CYS 63 -1.498 -8.882 2.261 454 H LYS 64 H LYS 64 0.942 -6.705 5.036 455 HA LYS 64 HA LYS 64 2.460 -4.589 3.876 456 HB2 LYS 64 1HB LYS 64 2.676 -6.232 6.373 457 HB3 LYS 64 2HB LYS 64 4.021 -5.206 5.888 458 HG2 LYS 64 1HG LYS 64 2.195 -3.358 5.726 459 HG3 LYS 64 2HG LYS 64 1.278 -4.441 6.775 460 HD2 LYS 64 1HD LYS 64 3.067 -4.411 8.415 461 HD3 LYS 64 2HD LYS 64 4.056 -3.408 7.350 462 HE2 LYS 64 1HE LYS 64 2.681 -1.543 7.638 463 HE3 LYS 64 2HE LYS 64 1.334 -2.512 8.233 464 HZ1 LYS 64 3HZ LYS 64 2.167 -1.540 10.138 465 HZ2 LYS 64 1HZ LYS 64 3.781 -1.680 9.649 466 HZ3 LYS 64 2HZ LYS 64 2.929 -3.050 10.158 467 H THR 65 H THR 65 3.041 -5.660 1.859 468 HA THR 65 HA THR 65 5.377 -7.430 2.178 469 HB THR 65 HB THR 65 3.367 -7.372 -0.079 470 HG1 THR 65 1HG THR 65 2.480 -8.884 1.092 471 HG21 THR 65 3HG2 THR 65 4.880 -9.532 -0.593 472 HG22 THR 65 1HG2 THR 65 6.105 -8.477 0.110 473 HG23 THR 65 2HG2 THR 65 5.191 -7.948 -1.302 474 H SER 66 H SER 66 7.250 -6.650 1.468 475 HA SER 66 HA SER 66 7.432 -4.062 0.307 476 HB2 SER 66 1HB SER 66 9.168 -4.979 1.807 477 HB3 SER 66 2HB SER 66 9.576 -6.183 0.585 478 HG SER 66 HG SER 66 10.497 -3.715 0.805 479 H VAL 67 H VAL 67 7.149 -3.543 -1.749 480 HA VAL 67 HA VAL 67 7.741 -5.568 -3.810 481 HB VAL 67 HB VAL 67 5.348 -5.135 -3.703 482 HG11 VAL 67 1HG1 VAL 67 6.239 -2.293 -3.801 483 HG12 VAL 67 2HG1 VAL 67 4.685 -2.730 -4.513 484 HG13 VAL 67 3HG1 VAL 67 4.996 -3.051 -2.806 485 HG21 VAL 67 3HG2 VAL 67 5.962 -3.638 -6.153 486 HG22 VAL 67 1HG2 VAL 67 6.875 -5.133 -5.947 487 HG23 VAL 67 2HG2 VAL 67 5.112 -5.168 -5.940 488 H ARG 68 H ARG 68 8.770 -4.901 -5.692 489 HA ARG 68 HA ARG 68 9.924 -2.191 -5.601 490 HB2 ARG 68 1HB ARG 68 11.620 -3.887 -5.152 491 HB3 ARG 68 2HB ARG 68 11.181 -4.742 -6.625 492 HG2 ARG 68 1HG ARG 68 12.176 -3.179 -7.991 493 HG3 ARG 68 2HG ARG 68 12.068 -1.899 -6.781 494 HD2 ARG 68 1HD ARG 68 13.792 -2.991 -5.453 495 HD3 ARG 68 2HD ARG 68 13.877 -4.307 -6.622 496 HE ARG 68 HE ARG 68 14.373 -2.058 -8.086 497 HH11 ARG 68 2HH1 ARG 68 15.770 -3.509 -5.247 498 HH12 ARG 68 1HH1 ARG 68 17.361 -2.897 -5.557 499 HH21 ARG 68 2HH2 ARG 68 16.463 -1.246 -8.506 500 HH22 ARG 68 1HH2 ARG 68 17.754 -1.609 -7.410 501 H LYS 69 H LYS 69 8.708 -1.076 -7.023 502 HA LYS 69 HA LYS 69 8.647 -2.066 -9.788 503 HB2 LYS 69 1HB LYS 69 6.368 -1.381 -10.086 504 HB3 LYS 69 2HB LYS 69 6.436 -2.431 -8.677 505 HG2 LYS 69 1HG LYS 69 5.116 -0.787 -7.844 506 HG3 LYS 69 2HG LYS 69 6.693 -0.119 -7.418 507 HD2 LYS 69 1HD LYS 69 5.728 1.708 -8.412 508 HD3 LYS 69 2HD LYS 69 6.507 0.965 -9.812 509 HE2 LYS 69 1HE LYS 69 4.224 -0.291 -10.037 510 HE3 LYS 69 2HE LYS 69 3.617 1.045 -9.060 511 HZ1 LYS 69 3HZ LYS 69 3.350 1.586 -11.355 512 HZ2 LYS 69 1HZ LYS 69 4.970 1.238 -11.695 513 HZ3 LYS 69 2HZ LYS 69 4.576 2.572 -10.733 514 H ASN 70 H ASN 70 8.961 -0.540 -11.356 515 HA ASN 70 HA ASN 70 9.011 2.280 -10.603 516 HB2 ASN 70 1HB ASN 70 11.325 1.173 -10.306 517 HB3 ASN 70 2HB ASN 70 11.367 1.110 -12.066 518 HD21 ASN 70 1HD2 ASN 70 10.362 3.494 -9.632 519 HD22 ASN 70 2HD2 ASN 70 11.268 4.805 -10.300 520 H ALA 71 H ALA 71 8.889 3.722 -12.376 521 HA ALA 71 HA ALA 71 7.161 3.223 -14.367 522 HB1 ALA 71 3HB ALA 71 7.678 5.421 -14.391 523 HB2 ALA 71 1HB ALA 71 9.391 5.134 -14.084 524 HB3 ALA 71 2HB ALA 71 8.739 4.930 -15.711 525 H ILE 72 H ILE 72 10.648 2.616 -14.547 526 HA ILE 72 HA ILE 72 10.577 1.670 -17.240 527 HB ILE 72 HB ILE 72 12.642 2.562 -16.357 528 HG12 ILE 72 1HG1 ILE 72 14.067 0.319 -16.659 529 HG13 ILE 72 2HG1 ILE 72 12.515 -0.279 -17.237 530 HG21 ILE 72 1HG2 ILE 72 12.918 2.209 -14.151 531 HG22 ILE 72 2HG2 ILE 72 12.109 0.643 -14.193 532 HG23 ILE 72 3HG2 ILE 72 13.796 0.778 -14.689 533 HD11 ILE 72 3HD1 ILE 72 12.507 1.123 -19.060 534 HD12 ILE 72 1HD1 ILE 72 13.615 2.275 -18.314 535 HD13 ILE 72 2HD1 ILE 72 14.218 0.727 -18.906 536 H ARG 73 H ARG 73 10.380 -0.363 -18.024 537 HA ARG 73 HA ARG 73 9.364 -2.385 -16.213 538 HB2 ARG 73 1HB ARG 73 8.725 -3.599 -18.176 539 HB3 ARG 73 2HB ARG 73 8.317 -1.909 -18.438 540 HG2 ARG 73 1HG ARG 73 9.270 -2.375 -20.443 541 HG3 ARG 73 2HG ARG 73 10.712 -1.877 -19.555 542 HD2 ARG 73 1HD ARG 73 11.454 -3.841 -20.465 543 HD3 ARG 73 2HD ARG 73 10.808 -4.430 -18.934 544 HE ARG 73 HE ARG 73 9.180 -5.554 -20.089 545 HH11 ARG 73 2HH1 ARG 73 10.697 -3.239 -22.201 546 HH12 ARG 73 1HH1 ARG 73 9.905 -3.824 -23.626 547 HH21 ARG 73 2HH2 ARG 73 8.130 -6.333 -21.959 548 HH22 ARG 73 1HH2 ARG 73 8.444 -5.583 -23.487 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -56.284 22.354 -3.060 2 HA2 GLY 1 1HA GLY 1 -53.477 21.439 -2.987 3 HA3 GLY 1 2HA GLY 1 -54.365 21.790 -1.511 4 H SER 2 H SER 2 -53.796 19.570 -0.946 5 HA SER 2 HA SER 2 -55.960 17.788 -1.507 6 HB2 SER 2 1HB SER 2 -54.229 17.585 -3.468 7 HB3 SER 2 2HB SER 2 -53.295 16.659 -2.293 8 HG SER 2 HG SER 2 -56.000 16.036 -2.625 9 H SER 3 H SER 3 -55.611 15.640 -0.380 10 HA SER 3 HA SER 3 -53.592 15.365 1.585 11 HB2 SER 3 1HB SER 3 -54.837 17.237 2.624 12 HB3 SER 3 2HB SER 3 -56.297 16.249 2.622 13 HG SER 3 HG SER 3 -55.570 15.701 4.530 14 H GLY 4 H GLY 4 -53.421 13.255 1.948 15 HA2 GLY 4 1HA GLY 4 -55.620 11.564 2.543 16 HA3 GLY 4 2HA GLY 4 -55.127 11.342 0.871 17 H SER 5 H SER 5 -54.352 9.276 1.079 18 HA SER 5 HA SER 5 -51.999 8.959 2.826 19 HB2 SER 5 1HB SER 5 -54.180 7.007 2.114 20 HB3 SER 5 2HB SER 5 -52.609 6.459 2.699 21 HG SER 5 HG SER 5 -53.016 7.947 4.517 22 H SER 6 H SER 6 -50.143 8.624 1.809 23 HA SER 6 HA SER 6 -50.067 8.296 -1.040 24 HB2 SER 6 1HB SER 6 -48.413 9.680 0.194 25 HB3 SER 6 2HB SER 6 -47.786 8.216 0.951 26 HG SER 6 HG SER 6 -47.584 7.527 -1.408 27 H GLY 7 H GLY 7 -49.066 6.305 1.735 28 HA2 GLY 7 1HA GLY 7 -48.968 4.010 1.942 29 HA3 GLY 7 2HA GLY 7 -49.751 3.885 0.373 30 H MET 8 H MET 8 -47.870 2.063 0.922 31 HA MET 8 HA MET 8 -45.877 2.628 -1.082 32 HB2 MET 8 1HB MET 8 -43.938 2.214 0.303 33 HB3 MET 8 2HB MET 8 -44.851 3.559 0.973 34 HG2 MET 8 1HG MET 8 -45.947 1.697 2.441 35 HG3 MET 8 2HG MET 8 -44.486 0.801 2.030 36 HE1 MET 8 3HE MET 8 -45.937 1.823 4.539 37 HE2 MET 8 1HE MET 8 -44.607 2.109 5.662 38 HE3 MET 8 2HE MET 8 -45.555 3.466 5.054 39 H ALA 9 H ALA 9 -44.877 0.759 -1.895 40 HA ALA 9 HA ALA 9 -46.167 -1.747 -1.046 41 HB1 ALA 9 3HB ALA 9 -46.726 -1.161 -3.312 42 HB2 ALA 9 1HB ALA 9 -45.022 -0.964 -3.723 43 HB3 ALA 9 2HB ALA 9 -45.656 -2.563 -3.329 44 H SER 10 H SER 10 -44.925 -3.112 0.039 45 HA SER 10 HA SER 10 -42.016 -3.046 -0.424 46 HB2 SER 10 1HB SER 10 -41.730 -3.837 1.863 47 HB3 SER 10 2HB SER 10 -42.718 -2.376 1.862 48 HG SER 10 HG SER 10 -44.557 -3.913 1.850 49 H GLY 11 H GLY 11 -40.954 -4.899 -0.924 50 HA2 GLY 11 1HA GLY 11 -41.439 -7.487 -0.405 51 HA3 GLY 11 2HA GLY 11 -42.588 -7.169 -1.697 52 H GLN 12 H GLN 12 -39.138 -6.721 -0.930 53 HA GLN 12 HA GLN 12 -38.486 -6.904 -3.763 54 HB2 GLN 12 1HB GLN 12 -36.950 -6.156 -1.296 55 HB3 GLN 12 2HB GLN 12 -36.099 -6.572 -2.778 56 HG2 GLN 12 1HG GLN 12 -37.666 -4.810 -3.862 57 HG3 GLN 12 2HG GLN 12 -37.874 -4.244 -2.206 58 HE21 GLN 12 1HE2 GLN 12 -36.859 -2.438 -3.756 59 HE22 GLN 12 2HE2 GLN 12 -35.152 -2.259 -3.557 60 H PHE 13 H PHE 13 -36.885 -8.388 -4.555 61 HA PHE 13 HA PHE 13 -36.818 -10.901 -3.019 62 HB2 PHE 13 1HB PHE 13 -36.543 -10.692 -6.014 63 HB3 PHE 13 2HB PHE 13 -36.893 -12.124 -5.051 64 HD1 PHE 13 1HD PHE 13 -39.115 -12.091 -3.718 65 HD2 PHE 13 2HD PHE 13 -38.269 -9.531 -7.011 66 HE1 PHE 13 1HE PHE 13 -41.525 -11.724 -4.048 67 HE2 PHE 13 2HE PHE 13 -40.678 -9.159 -7.346 68 HZ PHE 13 HZ PHE 13 -42.310 -10.256 -5.863 69 H VAL 14 H VAL 14 -34.922 -12.255 -3.311 70 HA VAL 14 HA VAL 14 -32.528 -10.978 -2.811 71 HB VAL 14 HB VAL 14 -32.917 -13.359 -2.338 72 HG11 VAL 14 1HG1 VAL 14 -32.183 -14.317 -4.992 73 HG12 VAL 14 2HG1 VAL 14 -33.439 -14.884 -3.888 74 HG13 VAL 14 3HG1 VAL 14 -33.751 -13.511 -4.951 75 HG21 VAL 14 3HG2 VAL 14 -30.537 -13.194 -4.155 76 HG22 VAL 14 1HG2 VAL 14 -30.602 -12.283 -2.646 77 HG23 VAL 14 2HG2 VAL 14 -30.704 -14.044 -2.618 78 H ASN 15 H ASN 15 -31.041 -9.976 -4.007 79 HA ASN 15 HA ASN 15 -31.277 -10.152 -6.934 80 HB2 ASN 15 1HB ASN 15 -30.172 -7.950 -5.180 81 HB3 ASN 15 2HB ASN 15 -30.083 -7.949 -6.939 82 HD21 ASN 15 1HD2 ASN 15 -32.017 -7.790 -8.140 83 HD22 ASN 15 2HD2 ASN 15 -33.443 -7.110 -7.442 84 H LYS 16 H LYS 16 -29.873 -11.631 -7.655 85 HA LYS 16 HA LYS 16 -27.104 -11.505 -6.650 86 HB2 LYS 16 1HB LYS 16 -28.831 -13.826 -7.421 87 HB3 LYS 16 2HB LYS 16 -27.088 -13.947 -7.619 88 HG2 LYS 16 1HG LYS 16 -26.723 -13.619 -5.288 89 HG3 LYS 16 2HG LYS 16 -28.421 -13.216 -5.024 90 HD2 LYS 16 1HD LYS 16 -28.895 -15.572 -5.960 91 HD3 LYS 16 2HD LYS 16 -27.186 -15.879 -5.643 92 HE2 LYS 16 1HE LYS 16 -27.597 -15.109 -3.285 93 HE3 LYS 16 2HE LYS 16 -29.319 -15.100 -3.663 94 HZ1 LYS 16 3HZ LYS 16 -29.036 -17.178 -2.767 95 HZ2 LYS 16 1HZ LYS 16 -27.486 -17.384 -3.412 96 HZ3 LYS 16 2HZ LYS 16 -28.843 -17.521 -4.412 97 H LEU 17 H LEU 17 -25.951 -10.402 -8.103 98 HA LEU 17 HA LEU 17 -26.053 -11.291 -10.895 99 HB2 LEU 17 1HB LEU 17 -27.396 -9.274 -10.778 100 HB3 LEU 17 2HB LEU 17 -26.081 -8.421 -9.972 101 HG LEU 17 HG LEU 17 -24.731 -8.812 -12.092 102 HD11 LEU 17 1HD1 LEU 17 -26.514 -8.915 -14.068 103 HD12 LEU 17 2HD1 LEU 17 -27.364 -9.907 -12.884 104 HD13 LEU 17 3HD1 LEU 17 -25.741 -10.356 -13.407 105 HD21 LEU 17 3HD2 LEU 17 -25.375 -6.620 -11.771 106 HD22 LEU 17 1HD2 LEU 17 -27.095 -7.002 -11.841 107 HD23 LEU 17 2HD2 LEU 17 -26.133 -6.994 -13.319 108 H GLN 18 H GLN 18 -24.118 -10.864 -12.101 109 HA GLN 18 HA GLN 18 -21.758 -11.352 -10.663 110 HB2 GLN 18 1HB GLN 18 -22.319 -10.543 -13.500 111 HB3 GLN 18 2HB GLN 18 -20.666 -10.677 -12.915 112 HG2 GLN 18 1HG GLN 18 -22.516 -12.957 -12.464 113 HG3 GLN 18 2HG GLN 18 -21.882 -12.689 -14.087 114 HE21 GLN 18 1HE2 GLN 18 -19.388 -12.026 -13.867 115 HE22 GLN 18 2HE2 GLN 18 -18.458 -13.187 -12.988 116 H GLU 19 H GLU 19 -21.873 -9.626 -9.064 117 HA GLU 19 HA GLU 19 -21.563 -6.899 -9.824 118 HB2 GLU 19 1HB GLU 19 -22.398 -7.946 -7.576 119 HB3 GLU 19 2HB GLU 19 -20.691 -7.950 -7.157 120 HG2 GLU 19 1HG GLU 19 -22.042 -5.959 -6.396 121 HG3 GLU 19 2HG GLU 19 -20.544 -5.614 -7.259 122 H GLU 20 H GLU 20 -19.779 -5.755 -10.266 123 HA GLU 20 HA GLU 20 -17.324 -7.058 -10.772 124 HB2 GLU 20 1HB GLU 20 -17.969 -4.113 -10.555 125 HB3 GLU 20 2HB GLU 20 -16.448 -4.757 -11.157 126 HG2 GLU 20 1HG GLU 20 -17.713 -4.224 -13.056 127 HG3 GLU 20 2HG GLU 20 -17.799 -5.978 -12.904 128 H VAL 21 H VAL 21 -15.253 -6.638 -9.797 129 HA VAL 21 HA VAL 21 -15.253 -6.934 -7.001 130 HB VAL 21 HB VAL 21 -13.442 -7.773 -8.447 131 HG11 VAL 21 1HG1 VAL 21 -13.067 -4.862 -8.944 132 HG12 VAL 21 2HG1 VAL 21 -11.647 -5.911 -8.935 133 HG13 VAL 21 3HG1 VAL 21 -12.967 -6.221 -10.063 134 HG21 VAL 21 3HG2 VAL 21 -13.226 -6.642 -5.912 135 HG22 VAL 21 1HG2 VAL 21 -12.120 -7.796 -6.656 136 HG23 VAL 21 2HG2 VAL 21 -11.807 -6.066 -6.786 137 H ILE 22 H ILE 22 -14.670 -5.548 -5.338 138 HA ILE 22 HA ILE 22 -14.751 -2.681 -6.019 139 HB ILE 22 HB ILE 22 -15.559 -3.916 -3.387 140 HG12 ILE 22 1HG1 ILE 22 -17.386 -2.887 -5.563 141 HG13 ILE 22 2HG1 ILE 22 -17.013 -4.593 -5.335 142 HG21 ILE 22 1HG2 ILE 22 -14.810 -1.560 -3.336 143 HG22 ILE 22 2HG2 ILE 22 -16.070 -1.164 -4.503 144 HG23 ILE 22 3HG2 ILE 22 -16.507 -1.753 -2.900 145 HD11 ILE 22 3HD1 ILE 22 -19.178 -3.717 -4.341 146 HD12 ILE 22 1HD1 ILE 22 -18.138 -4.677 -3.289 147 HD13 ILE 22 2HD1 ILE 22 -18.168 -2.920 -3.135 148 H CYS 23 H CYS 23 -13.454 -1.241 -4.780 149 HA CYS 23 HA CYS 23 -10.874 -2.313 -4.144 150 HB2 CYS 23 1HB CYS 23 -11.241 -0.090 -5.236 151 HB3 CYS 23 2HB CYS 23 -11.891 0.501 -3.710 152 HA PRO 24 HA PRO 24 -11.900 -3.111 0.125 153 HB2 PRO 24 1HB PRO 24 -9.451 -4.060 0.811 154 HB3 PRO 24 2HB PRO 24 -10.636 -5.018 -0.085 155 HG2 PRO 24 1HG PRO 24 -8.270 -3.495 -1.106 156 HG3 PRO 24 2HG PRO 24 -8.841 -5.111 -1.561 157 HD2 PRO 24 1HD PRO 24 -9.335 -2.915 -3.066 158 HD3 PRO 24 2HD PRO 24 -10.467 -4.278 -2.966 159 H ILE 25 H ILE 25 -10.143 -0.654 -1.154 160 HA ILE 25 HA ILE 25 -9.073 0.263 1.421 161 HB ILE 25 HB ILE 25 -8.574 1.301 -1.371 162 HG12 ILE 25 1HG1 ILE 25 -6.764 -0.166 0.561 163 HG13 ILE 25 2HG1 ILE 25 -7.510 -0.869 -0.870 164 HG21 ILE 25 1HG2 ILE 25 -6.796 2.663 -0.234 165 HG22 ILE 25 2HG2 ILE 25 -8.453 3.157 0.107 166 HG23 ILE 25 3HG2 ILE 25 -7.547 2.229 1.301 167 HD11 ILE 25 3HD1 ILE 25 -5.332 1.175 -0.701 168 HD12 ILE 25 1HD1 ILE 25 -5.331 -0.386 -1.522 169 HD13 ILE 25 2HD1 ILE 25 -6.279 0.952 -2.172 170 H CYS 26 H CYS 26 -10.913 1.516 -1.364 171 HA CYS 26 HA CYS 26 -12.081 3.548 0.412 172 HB2 CYS 26 1HB CYS 26 -12.739 4.693 -1.714 173 HB3 CYS 26 2HB CYS 26 -10.999 4.532 -1.499 174 H LEU 27 H LEU 27 -12.768 0.686 -1.308 175 HA LEU 27 HA LEU 27 -14.652 -0.593 -1.422 176 HB2 LEU 27 1HB LEU 27 -16.144 1.540 0.071 177 HB3 LEU 27 2HB LEU 27 -16.471 -0.191 0.010 178 HG LEU 27 HG LEU 27 -14.015 0.948 1.324 179 HD11 LEU 27 1HD1 LEU 27 -15.993 1.908 2.394 180 HD12 LEU 27 2HD1 LEU 27 -15.182 0.752 3.449 181 HD13 LEU 27 3HD1 LEU 27 -16.662 0.290 2.609 182 HD21 LEU 27 3HD2 LEU 27 -13.772 -1.358 0.851 183 HD22 LEU 27 1HD2 LEU 27 -15.418 -1.714 1.376 184 HD23 LEU 27 2HD2 LEU 27 -14.197 -1.246 2.560 185 H ASP 28 H ASP 28 -13.996 1.132 -3.508 186 HA ASP 28 HA ASP 28 -16.664 1.887 -4.511 187 HB2 ASP 28 1HB ASP 28 -13.994 3.189 -5.079 188 HB3 ASP 28 2HB ASP 28 -15.483 3.567 -5.942 189 H ILE 29 H ILE 29 -17.209 1.288 -6.583 190 HA ILE 29 HA ILE 29 -16.389 -1.077 -7.624 191 HB ILE 29 HB ILE 29 -17.322 1.305 -9.228 192 HG12 ILE 29 1HG1 ILE 29 -18.928 -1.032 -8.184 193 HG13 ILE 29 2HG1 ILE 29 -18.803 0.508 -7.341 194 HG21 ILE 29 1HG2 ILE 29 -17.307 0.055 -11.072 195 HG22 ILE 29 2HG2 ILE 29 -16.281 -1.069 -10.182 196 HG23 ILE 29 3HG2 ILE 29 -18.026 -1.322 -10.237 197 HD11 ILE 29 3HD1 ILE 29 -20.799 -0.048 -8.976 198 HD12 ILE 29 1HD1 ILE 29 -20.143 1.582 -8.820 199 HD13 ILE 29 2HD1 ILE 29 -19.658 0.562 -10.175 200 H LEU 30 H LEU 30 -14.340 -1.671 -7.970 201 HA LEU 30 HA LEU 30 -12.233 0.015 -8.715 202 HB2 LEU 30 1HB LEU 30 -12.671 -2.920 -8.636 203 HB3 LEU 30 2HB LEU 30 -11.289 -2.322 -9.552 204 HG LEU 30 HG LEU 30 -11.657 -1.404 -6.738 205 HD11 LEU 30 1HD1 LEU 30 -11.644 -4.115 -7.351 206 HD12 LEU 30 2HD1 LEU 30 -11.290 -3.378 -5.789 207 HD13 LEU 30 3HD1 LEU 30 -9.978 -3.746 -6.907 208 HD21 LEU 30 3HD2 LEU 30 -9.882 -0.587 -8.386 209 HD22 LEU 30 1HD2 LEU 30 -9.140 -2.174 -8.182 210 HD23 LEU 30 2HD2 LEU 30 -9.334 -1.107 -6.791 211 H GLN 31 H GLN 31 -12.830 1.273 -10.483 212 HA GLN 31 HA GLN 31 -13.858 0.279 -12.903 213 HB2 GLN 31 1HB GLN 31 -13.760 2.704 -12.061 214 HB3 GLN 31 2HB GLN 31 -12.121 2.729 -12.698 215 HG2 GLN 31 1HG GLN 31 -12.814 2.646 -14.875 216 HG3 GLN 31 2HG GLN 31 -14.327 1.833 -14.478 217 HE21 GLN 31 1HE2 GLN 31 -15.988 3.107 -13.433 218 HE22 GLN 31 2HE2 GLN 31 -16.100 4.797 -13.775 219 H LYS 32 H LYS 32 -10.549 0.832 -11.800 220 HA LYS 32 HA LYS 32 -9.605 -0.800 -14.052 221 HB2 LYS 32 1HB LYS 32 -8.614 1.897 -13.189 222 HB3 LYS 32 2HB LYS 32 -7.514 0.754 -13.949 223 HG2 LYS 32 1HG LYS 32 -8.794 0.724 -15.950 224 HG3 LYS 32 2HG LYS 32 -10.114 1.616 -15.190 225 HD2 LYS 32 1HD LYS 32 -7.333 2.726 -15.528 226 HD3 LYS 32 2HD LYS 32 -8.628 2.972 -16.701 227 HE2 LYS 32 1HE LYS 32 -9.997 3.912 -14.794 228 HE3 LYS 32 2HE LYS 32 -8.516 3.896 -13.838 229 HZ1 LYS 32 3HZ LYS 32 -7.794 5.137 -16.152 230 HZ2 LYS 32 1HZ LYS 32 -8.151 5.903 -14.686 231 HZ3 LYS 32 2HZ LYS 32 -9.351 5.734 -15.866 232 HA PRO 33 HA PRO 33 -8.042 -2.565 -10.116 233 HB2 PRO 33 1HB PRO 33 -8.151 -5.134 -10.986 234 HB3 PRO 33 2HB PRO 33 -9.547 -4.290 -10.306 235 HG2 PRO 33 1HG PRO 33 -8.836 -4.769 -13.174 236 HG3 PRO 33 2HG PRO 33 -10.413 -4.904 -12.375 237 HD2 PRO 33 1HD PRO 33 -9.709 -2.748 -13.856 238 HD3 PRO 33 2HD PRO 33 -10.785 -2.630 -12.449 239 H VAL 34 H VAL 34 -5.911 -2.441 -9.840 240 HA VAL 34 HA VAL 34 -4.144 -3.376 -12.004 241 HB VAL 34 HB VAL 34 -3.574 -1.365 -9.822 242 HG11 VAL 34 1HG1 VAL 34 -1.568 -2.591 -10.318 243 HG12 VAL 34 2HG1 VAL 34 -1.834 -2.409 -12.053 244 HG13 VAL 34 3HG1 VAL 34 -1.453 -0.998 -11.065 245 HG21 VAL 34 3HG2 VAL 34 -3.199 -0.223 -12.341 246 HG22 VAL 34 1HG2 VAL 34 -4.707 -1.129 -12.462 247 HG23 VAL 34 2HG2 VAL 34 -4.514 0.098 -11.211 248 H THR 35 H THR 35 -2.993 -5.148 -11.641 249 HA THR 35 HA THR 35 -2.873 -6.242 -8.939 250 HB THR 35 HB THR 35 -1.943 -7.524 -11.514 251 HG1 THR 35 1HG THR 35 -4.356 -8.163 -10.194 252 HG21 THR 35 3HG2 THR 35 -2.844 -9.060 -9.134 253 HG22 THR 35 1HG2 THR 35 -1.256 -8.296 -9.063 254 HG23 THR 35 2HG2 THR 35 -1.619 -9.458 -10.339 255 H ILE 36 H ILE 36 -1.096 -6.241 -7.717 256 HA ILE 36 HA ILE 36 1.408 -5.289 -8.931 257 HB ILE 36 HB ILE 36 2.081 -4.808 -6.543 258 HG12 ILE 36 1HG1 ILE 36 -0.867 -5.306 -6.079 259 HG13 ILE 36 2HG1 ILE 36 0.461 -6.256 -5.423 260 HG21 ILE 36 1HG2 ILE 36 0.660 -2.749 -6.411 261 HG22 ILE 36 2HG2 ILE 36 1.456 -3.002 -7.963 262 HG23 ILE 36 3HG2 ILE 36 -0.258 -3.373 -7.781 263 HD11 ILE 36 3HD1 ILE 36 1.227 -4.192 -4.237 264 HD12 ILE 36 1HD1 ILE 36 -0.273 -3.422 -4.755 265 HD13 ILE 36 2HD1 ILE 36 -0.325 -4.835 -3.701 266 H ASP 37 H ASP 37 3.346 -6.059 -7.384 267 HA ASP 37 HA ASP 37 3.889 -8.685 -7.985 268 HB2 ASP 37 1HB ASP 37 4.958 -6.860 -5.849 269 HB3 ASP 37 2HB ASP 37 5.541 -8.515 -5.997 270 H CYS 38 H CYS 38 2.492 -7.389 -4.997 271 HA CYS 38 HA CYS 38 2.391 -9.825 -3.588 272 HB2 CYS 38 1HB CYS 38 1.235 -8.670 -1.964 273 HB3 CYS 38 2HB CYS 38 1.997 -7.333 -2.819 274 H GLY 39 H GLY 39 0.297 -8.404 -5.992 275 HA2 GLY 39 1HA GLY 39 -1.051 -9.926 -7.329 276 HA3 GLY 39 2HA GLY 39 -1.376 -10.832 -5.859 277 H HIS 40 H HIS 40 -2.119 -8.915 -4.087 278 HA HIS 40 HA HIS 40 -4.770 -8.554 -4.411 279 HB2 HIS 40 1HB HIS 40 -2.855 -6.616 -3.098 280 HB3 HIS 40 2HB HIS 40 -4.603 -6.583 -2.888 281 HD2 HIS 40 2HD HIS 40 -4.479 -10.081 -2.646 282 HE1 HIS 40 1HE HIS 40 -2.742 -8.979 1.065 283 HE2 HIS 40 2HE HIS 40 -3.739 -10.853 -0.290 284 H ASN 41 H ASN 41 -6.175 -6.990 -5.219 285 HA ASN 41 HA ASN 41 -5.005 -5.268 -7.299 286 HB2 ASN 41 1HB ASN 41 -7.628 -6.711 -7.085 287 HB3 ASN 41 2HB ASN 41 -7.484 -5.294 -8.121 288 HD21 ASN 41 1HD2 ASN 41 -6.846 -8.616 -7.763 289 HD22 ASN 41 2HD2 ASN 41 -6.034 -8.862 -9.268 290 H PHE 42 H PHE 42 -5.284 -3.118 -7.223 291 HA PHE 42 HA PHE 42 -7.206 -2.032 -5.277 292 HB2 PHE 42 1HB PHE 42 -4.377 -1.070 -5.752 293 HB3 PHE 42 2HB PHE 42 -5.561 -0.254 -4.736 294 HD1 PHE 42 1HD PHE 42 -6.671 -1.876 -2.921 295 HD2 PHE 42 2HD PHE 42 -2.844 -2.406 -4.705 296 HE1 PHE 42 1HE PHE 42 -5.970 -3.246 -1.001 297 HE2 PHE 42 2HE PHE 42 -2.136 -3.777 -2.789 298 HZ PHE 42 HZ PHE 42 -3.700 -4.200 -0.934 299 H CYS 43 H CYS 43 -7.619 0.347 -5.672 300 HA CYS 43 HA CYS 43 -8.045 0.726 -8.539 301 HB2 CYS 43 1HB CYS 43 -9.860 2.039 -8.012 302 HB3 CYS 43 2HB CYS 43 -9.827 0.982 -6.604 303 H LEU 44 H LEU 44 -7.167 2.359 -9.702 304 HA LEU 44 HA LEU 44 -4.767 3.461 -9.198 305 HB2 LEU 44 1HB LEU 44 -6.171 3.651 -11.293 306 HB3 LEU 44 2HB LEU 44 -6.942 5.046 -10.541 307 HG LEU 44 HG LEU 44 -4.657 6.100 -10.410 308 HD11 LEU 44 1HD1 LEU 44 -3.896 3.514 -11.346 309 HD12 LEU 44 2HD1 LEU 44 -2.874 4.875 -10.885 310 HD13 LEU 44 3HD1 LEU 44 -3.441 4.723 -12.547 311 HD21 LEU 44 3HD2 LEU 44 -6.299 6.724 -12.109 312 HD22 LEU 44 1HD2 LEU 44 -5.721 5.424 -13.151 313 HD23 LEU 44 2HD2 LEU 44 -4.658 6.775 -12.756 314 H LYS 45 H LYS 45 -7.740 5.380 -8.735 315 HA LYS 45 HA LYS 45 -6.838 7.584 -7.519 316 HB2 LYS 45 1HB LYS 45 -9.166 5.999 -6.421 317 HB3 LYS 45 2HB LYS 45 -8.913 7.734 -6.277 318 HG2 LYS 45 1HG LYS 45 -8.897 7.587 -8.916 319 HG3 LYS 45 2HG LYS 45 -9.847 6.134 -8.594 320 HD2 LYS 45 1HD LYS 45 -11.529 7.355 -7.486 321 HD3 LYS 45 2HD LYS 45 -10.505 8.785 -7.338 322 HE2 LYS 45 1HE LYS 45 -11.170 7.748 -10.054 323 HE3 LYS 45 2HE LYS 45 -12.390 8.656 -9.162 324 HZ1 LYS 45 3HZ LYS 45 -11.307 10.304 -10.309 325 HZ2 LYS 45 1HZ LYS 45 -9.791 9.561 -10.195 326 HZ3 LYS 45 2HZ LYS 45 -10.459 10.332 -8.846 327 H CYS 46 H CYS 46 -6.997 4.404 -6.030 328 HA CYS 46 HA CYS 46 -6.143 5.385 -3.449 329 HB2 CYS 46 1HB CYS 46 -6.944 2.762 -4.591 330 HB3 CYS 46 2HB CYS 46 -5.855 2.728 -3.208 331 H ILE 47 H ILE 47 -4.754 2.854 -5.539 332 HA ILE 47 HA ILE 47 -2.276 2.624 -4.510 333 HB ILE 47 HB ILE 47 -2.942 2.738 -7.453 334 HG12 ILE 47 1HG1 ILE 47 -2.604 0.364 -5.609 335 HG13 ILE 47 2HG1 ILE 47 -4.159 1.040 -6.083 336 HG21 ILE 47 1HG2 ILE 47 -0.843 1.171 -7.474 337 HG22 ILE 47 2HG2 ILE 47 -0.656 2.924 -7.513 338 HG23 ILE 47 3HG2 ILE 47 -0.434 2.048 -5.999 339 HD11 ILE 47 3HD1 ILE 47 -2.632 -0.918 -7.401 340 HD12 ILE 47 1HD1 ILE 47 -4.156 -0.193 -7.913 341 HD13 ILE 47 2HD1 ILE 47 -2.625 0.518 -8.424 342 H THR 48 H THR 48 -3.211 5.094 -6.895 343 HA THR 48 HA THR 48 -0.710 6.371 -7.030 344 HB THR 48 HB THR 48 -3.364 7.751 -7.428 345 HG1 THR 48 1HG THR 48 -2.106 5.752 -8.917 346 HG21 THR 48 3HG2 THR 48 -0.821 8.737 -7.577 347 HG22 THR 48 1HG2 THR 48 -2.208 9.392 -8.446 348 HG23 THR 48 2HG2 THR 48 -1.120 8.258 -9.247 349 H GLN 49 H GLN 49 -3.654 7.454 -5.323 350 HA GLN 49 HA GLN 49 -2.774 9.633 -4.009 351 HB2 GLN 49 1HB GLN 49 -4.642 7.450 -3.225 352 HB3 GLN 49 2HB GLN 49 -4.176 8.611 -1.989 353 HG2 GLN 49 1HG GLN 49 -4.999 10.436 -3.345 354 HG3 GLN 49 2HG GLN 49 -5.391 9.317 -4.650 355 HE21 GLN 49 1HE2 GLN 49 -7.548 9.517 -4.740 356 HE22 GLN 49 2HE2 GLN 49 -8.624 9.168 -3.434 357 H ILE 50 H ILE 50 -2.441 6.337 -2.684 358 HA ILE 50 HA ILE 50 -1.099 6.759 -0.389 359 HB ILE 50 HB ILE 50 -0.375 4.669 -2.446 360 HG12 ILE 50 1HG1 ILE 50 -2.086 4.279 -0.003 361 HG13 ILE 50 2HG1 ILE 50 -2.783 4.852 -1.514 362 HG21 ILE 50 1HG2 ILE 50 0.850 5.323 0.045 363 HG22 ILE 50 2HG2 ILE 50 0.061 3.753 0.188 364 HG23 ILE 50 3HG2 ILE 50 1.253 4.028 -1.082 365 HD11 ILE 50 3HD1 ILE 50 -1.678 2.190 -0.819 366 HD12 ILE 50 1HD1 ILE 50 -3.131 2.614 -1.722 367 HD13 ILE 50 2HD1 ILE 50 -1.547 2.746 -2.487 368 H GLY 51 H GLY 51 0.360 6.820 -3.624 369 HA2 GLY 51 1HA GLY 51 2.683 8.196 -2.428 370 HA3 GLY 51 2HA GLY 51 2.880 6.966 -3.667 371 H GLU 52 H GLU 52 2.115 10.262 -3.001 372 HA GLU 52 HA GLU 52 1.479 10.800 -5.804 373 HB2 GLU 52 1HB GLU 52 -0.013 11.988 -4.489 374 HB3 GLU 52 2HB GLU 52 1.188 12.328 -3.251 375 HG2 GLU 52 1HG GLU 52 0.734 14.376 -4.312 376 HG3 GLU 52 2HG GLU 52 2.307 13.850 -4.911 377 H THR 53 H THR 53 3.654 12.108 -3.297 378 HA THR 53 HA THR 53 5.258 13.552 -5.142 379 HB THR 53 HB THR 53 6.847 13.812 -3.263 380 HG1 THR 53 1HG THR 53 5.228 11.788 -2.193 381 HG21 THR 53 3HG2 THR 53 4.814 15.254 -3.506 382 HG22 THR 53 1HG2 THR 53 5.418 15.124 -1.855 383 HG23 THR 53 2HG2 THR 53 3.998 14.202 -2.350 384 H SER 54 H SER 54 5.701 10.454 -3.461 385 HA SER 54 HA SER 54 7.750 9.768 -5.461 386 HB2 SER 54 1HB SER 54 9.009 8.565 -3.743 387 HB3 SER 54 2HB SER 54 8.817 10.257 -3.285 388 HG SER 54 HG SER 54 6.825 8.563 -2.399 389 H CYS 55 H CYS 55 6.757 8.330 -6.732 390 HA CYS 55 HA CYS 55 5.280 6.132 -5.439 391 HB2 CYS 55 1HB CYS 55 4.127 7.850 -7.094 392 HB3 CYS 55 2HB CYS 55 4.845 6.807 -8.315 393 HG CYS 55 HG CYS 55 3.300 4.709 -7.975 394 H GLY 56 H GLY 56 6.021 4.124 -5.727 395 HA2 GLY 56 1HA GLY 56 7.041 2.915 -7.935 396 HA3 GLY 56 2HA GLY 56 8.440 3.727 -7.247 397 H PHE 57 H PHE 57 7.866 3.410 -4.524 398 HA PHE 57 HA PHE 57 7.985 0.480 -4.231 399 HB2 PHE 57 1HB PHE 57 9.641 2.623 -2.908 400 HB3 PHE 57 2HB PHE 57 9.502 1.003 -2.233 401 HD1 PHE 57 1HD PHE 57 10.365 -0.938 -3.496 402 HD2 PHE 57 2HD PHE 57 11.007 3.065 -4.792 403 HE1 PHE 57 1HE PHE 57 12.174 -1.710 -4.975 404 HE2 PHE 57 2HE PHE 57 12.816 2.299 -6.273 405 HZ PHE 57 HZ PHE 57 13.402 -0.091 -6.366 406 H PHE 58 H PHE 58 5.588 1.884 -4.042 407 HA PHE 58 HA PHE 58 5.007 2.466 -1.286 408 HB2 PHE 58 1HB PHE 58 2.842 3.047 -2.010 409 HB3 PHE 58 2HB PHE 58 3.890 3.510 -3.347 410 HD1 PHE 58 1HD PHE 58 3.944 2.162 -5.402 411 HD2 PHE 58 2HD PHE 58 1.213 1.330 -2.245 412 HE1 PHE 58 1HE PHE 58 2.595 0.790 -6.935 413 HE2 PHE 58 2HE PHE 58 -0.140 -0.044 -3.772 414 HZ PHE 58 HZ PHE 58 0.551 -0.317 -6.121 415 H LYS 59 H LYS 59 4.869 0.891 0.164 416 HA LYS 59 HA LYS 59 4.552 -1.821 -0.350 417 HB2 LYS 59 1HB LYS 59 4.169 -2.092 2.021 418 HB3 LYS 59 2HB LYS 59 5.404 -0.863 1.775 419 HG2 LYS 59 1HG LYS 59 3.667 0.876 2.091 420 HG3 LYS 59 2HG LYS 59 2.510 -0.403 2.468 421 HD2 LYS 59 1HD LYS 59 5.088 -0.283 3.967 422 HD3 LYS 59 2HD LYS 59 3.797 0.847 4.383 423 HE2 LYS 59 1HE LYS 59 2.269 -1.033 4.731 424 HE3 LYS 59 2HE LYS 59 3.556 -2.161 4.308 425 HZ1 LYS 59 3HZ LYS 59 3.253 -1.912 6.718 426 HZ2 LYS 59 1HZ LYS 59 3.652 -0.272 6.597 427 HZ3 LYS 59 2HZ LYS 59 4.802 -1.452 6.219 428 H CYS 60 H CYS 60 2.719 -3.202 0.471 429 HA CYS 60 HA CYS 60 0.225 -2.169 -0.643 430 HB2 CYS 60 1HB CYS 60 0.933 -4.300 -1.520 431 HB3 CYS 60 2HB CYS 60 1.107 -4.962 0.102 432 HA PRO 61 HA PRO 61 -1.561 -1.523 3.340 433 HB2 PRO 61 1HB PRO 61 -4.166 -1.447 2.581 434 HB3 PRO 61 2HB PRO 61 -3.037 -0.122 2.274 435 HG2 PRO 61 1HG PRO 61 -3.963 -2.289 0.427 436 HG3 PRO 61 2HG PRO 61 -3.750 -0.558 0.104 437 HD2 PRO 61 1HD PRO 61 -1.926 -2.414 -0.644 438 HD3 PRO 61 2HD PRO 61 -1.472 -0.762 -0.179 439 H LEU 62 H LEU 62 -3.151 -3.930 1.244 440 HA LEU 62 HA LEU 62 -4.450 -5.340 3.291 441 HB2 LEU 62 1HB LEU 62 -3.608 -6.016 0.504 442 HB3 LEU 62 2HB LEU 62 -4.277 -7.267 1.550 443 HG LEU 62 HG LEU 62 -5.756 -4.707 1.024 444 HD11 LEU 62 1HD1 LEU 62 -5.301 -5.615 -1.156 445 HD12 LEU 62 2HD1 LEU 62 -6.984 -5.933 -0.740 446 HD13 LEU 62 3HD1 LEU 62 -5.790 -7.226 -0.631 447 HD21 LEU 62 3HD2 LEU 62 -7.679 -6.349 1.422 448 HD22 LEU 62 1HD2 LEU 62 -6.706 -5.871 2.814 449 HD23 LEU 62 2HD2 LEU 62 -6.445 -7.441 2.053 450 H CYS 63 H CYS 63 -1.336 -5.960 1.686 451 HA CYS 63 HA CYS 63 -0.569 -7.590 4.015 452 HB2 CYS 63 1HB CYS 63 0.686 -9.077 2.543 453 HB3 CYS 63 2HB CYS 63 -1.008 -9.035 2.065 454 H LYS 64 H LYS 64 1.574 -7.445 4.692 455 HA LYS 64 HA LYS 64 2.938 -5.013 3.826 456 HB2 LYS 64 1HB LYS 64 3.329 -6.828 6.208 457 HB3 LYS 64 2HB LYS 64 4.374 -5.459 5.852 458 HG2 LYS 64 1HG LYS 64 2.189 -4.084 5.857 459 HG3 LYS 64 2HG LYS 64 1.511 -5.473 6.711 460 HD2 LYS 64 1HD LYS 64 3.435 -5.265 8.331 461 HD3 LYS 64 2HD LYS 64 3.814 -3.725 7.556 462 HE2 LYS 64 1HE LYS 64 2.494 -3.098 9.362 463 HE3 LYS 64 2HE LYS 64 1.348 -3.137 8.023 464 HZ1 LYS 64 3HZ LYS 64 1.512 -4.835 10.368 465 HZ2 LYS 64 1HZ LYS 64 1.163 -5.637 8.920 466 HZ3 LYS 64 2HZ LYS 64 0.165 -4.379 9.451 467 H THR 65 H THR 65 3.096 -6.901 1.892 468 HA THR 65 HA THR 65 5.665 -8.264 2.191 469 HB THR 65 HB THR 65 3.605 -8.403 -0.018 470 HG1 THR 65 1HG THR 65 3.777 -10.718 0.974 471 HG21 THR 65 3HG2 THR 65 5.533 -8.917 -1.171 472 HG22 THR 65 1HG2 THR 65 5.085 -10.506 -0.552 473 HG23 THR 65 2HG2 THR 65 6.341 -9.567 0.255 474 H SER 66 H SER 66 7.400 -7.073 1.746 475 HA SER 66 HA SER 66 7.656 -4.683 0.539 476 HB2 SER 66 1HB SER 66 9.973 -5.304 -0.067 477 HB3 SER 66 2HB SER 66 9.551 -5.847 1.557 478 HG SER 66 HG SER 66 9.436 -7.472 -0.767 479 H VAL 67 H VAL 67 6.880 -3.939 -1.313 480 HA VAL 67 HA VAL 67 6.669 -5.729 -3.621 481 HB VAL 67 HB VAL 67 4.636 -4.550 -3.099 482 HG11 VAL 67 1HG1 VAL 67 4.629 -2.507 -2.232 483 HG12 VAL 67 2HG1 VAL 67 6.382 -2.435 -2.424 484 HG13 VAL 67 3HG1 VAL 67 5.328 -1.852 -3.713 485 HG21 VAL 67 3HG2 VAL 67 5.958 -3.349 -5.531 486 HG22 VAL 67 1HG2 VAL 67 5.128 -4.903 -5.462 487 HG23 VAL 67 2HG2 VAL 67 4.222 -3.409 -5.225 488 H ARG 68 H ARG 68 7.881 -5.516 -5.406 489 HA ARG 68 HA ARG 68 9.548 -3.106 -5.679 490 HB2 ARG 68 1HB ARG 68 10.652 -5.376 -4.876 491 HB3 ARG 68 2HB ARG 68 10.602 -5.743 -6.595 492 HG2 ARG 68 1HG ARG 68 11.699 -3.338 -6.762 493 HG3 ARG 68 2HG ARG 68 12.218 -3.742 -5.124 494 HD2 ARG 68 1HD ARG 68 12.872 -6.026 -6.305 495 HD3 ARG 68 2HD ARG 68 12.959 -4.980 -7.721 496 HE ARG 68 HE ARG 68 14.859 -4.028 -6.862 497 HH11 ARG 68 2HH1 ARG 68 13.253 -5.847 -4.366 498 HH12 ARG 68 1HH1 ARG 68 14.555 -5.692 -3.234 499 HH21 ARG 68 2HH2 ARG 68 16.580 -3.817 -5.381 500 HH22 ARG 68 1HH2 ARG 68 16.447 -4.536 -3.812 501 H LYS 69 H LYS 69 9.423 -2.149 -7.603 502 HA LYS 69 HA LYS 69 7.847 -3.407 -9.695 503 HB2 LYS 69 1HB LYS 69 8.980 -0.631 -9.353 504 HB3 LYS 69 2HB LYS 69 8.155 -1.147 -10.818 505 HG2 LYS 69 1HG LYS 69 6.145 -1.639 -9.488 506 HG3 LYS 69 2HG LYS 69 6.977 -1.048 -8.048 507 HD2 LYS 69 1HD LYS 69 7.190 1.156 -9.045 508 HD3 LYS 69 2HD LYS 69 6.443 0.577 -10.535 509 HE2 LYS 69 1HE LYS 69 4.967 0.247 -7.969 510 HE3 LYS 69 2HE LYS 69 5.041 1.849 -8.701 511 HZ1 LYS 69 3HZ LYS 69 3.668 -0.552 -9.620 512 HZ2 LYS 69 1HZ LYS 69 4.356 0.430 -10.814 513 HZ3 LYS 69 2HZ LYS 69 3.211 1.072 -9.747 514 H ASN 70 H ASN 70 11.042 -1.841 -9.448 515 HA ASN 70 HA ASN 70 12.827 -1.894 -10.902 516 HB2 ASN 70 1HB ASN 70 13.752 -4.183 -11.125 517 HB3 ASN 70 2HB ASN 70 13.231 -3.826 -9.481 518 HD21 ASN 70 1HD2 ASN 70 12.539 -5.614 -12.385 519 HD22 ASN 70 2HD2 ASN 70 11.423 -6.724 -11.673 520 H ALA 71 H ALA 71 10.583 -1.329 -12.372 521 HA ALA 71 HA ALA 71 10.565 -3.111 -14.680 522 HB1 ALA 71 3HB ALA 71 8.472 -2.423 -14.955 523 HB2 ALA 71 1HB ALA 71 8.638 -1.487 -13.470 524 HB3 ALA 71 2HB ALA 71 8.981 -0.736 -15.028 525 H ILE 72 H ILE 72 13.016 -1.855 -14.282 526 HA ILE 72 HA ILE 72 13.501 0.551 -15.517 527 HB ILE 72 HB ILE 72 15.176 -1.005 -14.383 528 HG12 ILE 72 1HG1 ILE 72 17.058 -0.060 -15.626 529 HG13 ILE 72 2HG1 ILE 72 16.000 0.297 -16.987 530 HG21 ILE 72 1HG2 ILE 72 14.633 -2.917 -15.940 531 HG22 ILE 72 2HG2 ILE 72 15.567 -2.066 -17.169 532 HG23 ILE 72 3HG2 ILE 72 16.348 -2.599 -15.681 533 HD11 ILE 72 3HD1 ILE 72 15.130 1.450 -14.444 534 HD12 ILE 72 1HD1 ILE 72 16.676 2.052 -15.038 535 HD13 ILE 72 2HD1 ILE 72 15.235 2.174 -16.048 536 H ARG 73 H ARG 73 14.067 1.190 -17.621 537 HA ARG 73 HA ARG 73 13.209 -0.653 -19.754 538 HB2 ARG 73 1HB ARG 73 12.321 1.284 -20.980 539 HB3 ARG 73 2HB ARG 73 11.515 1.069 -19.432 540 HG2 ARG 73 1HG ARG 73 12.979 2.833 -18.484 541 HG3 ARG 73 2HG ARG 73 13.634 3.099 -20.101 542 HD2 ARG 73 1HD ARG 73 11.843 4.697 -19.496 543 HD3 ARG 73 2HD ARG 73 11.468 3.740 -20.929 544 HE ARG 73 HE ARG 73 10.131 3.642 -18.361 545 HH11 ARG 73 2HH1 ARG 73 10.663 2.111 -21.442 546 HH12 ARG 73 1HH1 ARG 73 9.205 1.178 -21.377 547 HH21 ARG 73 2HH2 ARG 73 8.208 2.419 -18.264 548 HH22 ARG 73 1HH2 ARG 73 7.809 1.355 -19.570 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -66.119 -28.993 -7.543 2 HA2 GLY 1 1HA GLY 1 -64.000 -29.107 -6.657 3 HA3 GLY 1 2HA GLY 1 -63.732 -30.316 -7.903 4 H SER 2 H SER 2 -63.052 -27.135 -6.835 5 HA SER 2 HA SER 2 -61.999 -26.174 -9.330 6 HB2 SER 2 1HB SER 2 -62.170 -25.147 -6.537 7 HB3 SER 2 2HB SER 2 -60.935 -24.455 -7.589 8 HG SER 2 HG SER 2 -62.651 -24.039 -9.106 9 H SER 3 H SER 3 -60.627 -27.412 -6.304 10 HA SER 3 HA SER 3 -57.986 -27.046 -6.533 11 HB2 SER 3 1HB SER 3 -57.655 -29.339 -5.560 12 HB3 SER 3 2HB SER 3 -58.866 -28.369 -4.723 13 HG SER 3 HG SER 3 -59.868 -29.890 -6.779 14 H GLY 4 H GLY 4 -56.297 -27.652 -7.785 15 HA2 GLY 4 1HA GLY 4 -56.636 -29.788 -9.744 16 HA3 GLY 4 2HA GLY 4 -56.364 -28.174 -10.383 17 H SER 5 H SER 5 -54.354 -28.206 -11.173 18 HA SER 5 HA SER 5 -52.239 -29.676 -9.883 19 HB2 SER 5 1HB SER 5 -50.909 -29.129 -11.755 20 HB3 SER 5 2HB SER 5 -52.537 -29.302 -12.412 21 HG SER 5 HG SER 5 -52.509 -27.274 -12.951 22 H SER 6 H SER 6 -50.198 -28.694 -9.244 23 HA SER 6 HA SER 6 -50.666 -26.252 -7.727 24 HB2 SER 6 1HB SER 6 -48.439 -26.806 -6.697 25 HB3 SER 6 2HB SER 6 -49.666 -28.055 -6.485 26 HG SER 6 HG SER 6 -48.706 -29.218 -8.164 27 H GLY 7 H GLY 7 -48.179 -27.518 -9.951 28 HA2 GLY 7 1HA GLY 7 -47.833 -25.711 -11.798 29 HA3 GLY 7 2HA GLY 7 -47.275 -24.766 -10.425 30 H MET 8 H MET 8 -45.935 -25.878 -12.904 31 HA MET 8 HA MET 8 -43.727 -27.249 -11.514 32 HB2 MET 8 1HB MET 8 -45.004 -27.763 -14.157 33 HB3 MET 8 2HB MET 8 -43.270 -28.025 -14.017 34 HG2 MET 8 1HG MET 8 -45.207 -29.244 -12.084 35 HG3 MET 8 2HG MET 8 -44.819 -30.010 -13.622 36 HE1 MET 8 3HE MET 8 -44.491 -31.894 -12.230 37 HE2 MET 8 1HE MET 8 -42.825 -32.438 -12.028 38 HE3 MET 8 2HE MET 8 -43.712 -31.785 -10.651 39 H ALA 9 H ALA 9 -41.580 -26.855 -12.407 40 HA ALA 9 HA ALA 9 -40.994 -24.142 -12.680 41 HB1 ALA 9 3HB ALA 9 -39.366 -25.794 -11.910 42 HB2 ALA 9 1HB ALA 9 -39.307 -26.495 -13.528 43 HB3 ALA 9 2HB ALA 9 -38.731 -24.850 -13.257 44 H SER 10 H SER 10 -40.633 -22.801 -14.389 45 HA SER 10 HA SER 10 -41.585 -23.748 -16.986 46 HB2 SER 10 1HB SER 10 -41.014 -20.919 -16.072 47 HB3 SER 10 2HB SER 10 -41.821 -21.392 -17.567 48 HG SER 10 HG SER 10 -42.888 -22.358 -15.183 49 H GLY 11 H GLY 11 -39.069 -24.692 -16.289 50 HA2 GLY 11 1HA GLY 11 -37.351 -24.923 -18.043 51 HA3 GLY 11 2HA GLY 11 -37.344 -23.168 -18.143 52 H GLN 12 H GLN 12 -35.652 -22.251 -17.213 53 HA GLN 12 HA GLN 12 -34.725 -23.184 -14.624 54 HB2 GLN 12 1HB GLN 12 -32.942 -23.133 -17.061 55 HB3 GLN 12 2HB GLN 12 -32.351 -23.263 -15.410 56 HG2 GLN 12 1HG GLN 12 -33.605 -25.357 -15.145 57 HG3 GLN 12 2HG GLN 12 -34.139 -25.231 -16.820 58 HE21 GLN 12 1HE2 GLN 12 -32.551 -27.296 -15.487 59 HE22 GLN 12 2HE2 GLN 12 -31.075 -27.407 -16.377 60 H PHE 13 H PHE 13 -34.181 -21.518 -13.369 61 HA PHE 13 HA PHE 13 -33.430 -18.979 -14.653 62 HB2 PHE 13 1HB PHE 13 -35.298 -19.299 -12.294 63 HB3 PHE 13 2HB PHE 13 -34.750 -17.767 -12.965 64 HD1 PHE 13 1HD PHE 13 -35.093 -17.772 -15.697 65 HD2 PHE 13 2HD PHE 13 -37.456 -19.829 -12.815 66 HE1 PHE 13 1HE PHE 13 -36.991 -17.779 -17.263 67 HE2 PHE 13 2HE PHE 13 -39.357 -19.840 -14.377 68 HZ PHE 13 HZ PHE 13 -39.126 -18.815 -16.604 69 H VAL 14 H VAL 14 -31.314 -18.876 -14.164 70 HA VAL 14 HA VAL 14 -30.416 -19.560 -11.468 71 HB VAL 14 HB VAL 14 -28.815 -18.842 -13.927 72 HG11 VAL 14 1HG1 VAL 14 -27.916 -18.433 -11.479 73 HG12 VAL 14 2HG1 VAL 14 -27.625 -20.172 -11.548 74 HG13 VAL 14 3HG1 VAL 14 -26.881 -19.103 -12.738 75 HG21 VAL 14 3HG2 VAL 14 -29.050 -20.962 -14.545 76 HG22 VAL 14 1HG2 VAL 14 -28.358 -21.490 -13.012 77 HG23 VAL 14 2HG2 VAL 14 -30.100 -21.255 -13.159 78 H ASN 15 H ASN 15 -30.946 -17.880 -10.149 79 HA ASN 15 HA ASN 15 -30.385 -15.148 -10.959 80 HB2 ASN 15 1HB ASN 15 -31.612 -16.332 -8.464 81 HB3 ASN 15 2HB ASN 15 -31.326 -14.607 -8.675 82 HD21 ASN 15 1HD2 ASN 15 -33.525 -14.163 -8.525 83 HD22 ASN 15 2HD2 ASN 15 -34.619 -14.513 -9.816 84 H LYS 16 H LYS 16 -28.091 -15.306 -11.116 85 HA LYS 16 HA LYS 16 -26.656 -15.687 -8.587 86 HB2 LYS 16 1HB LYS 16 -25.777 -15.663 -11.468 87 HB3 LYS 16 2HB LYS 16 -24.620 -15.553 -10.148 88 HG2 LYS 16 1HG LYS 16 -26.605 -17.767 -10.116 89 HG3 LYS 16 2HG LYS 16 -25.242 -17.860 -11.233 90 HD2 LYS 16 1HD LYS 16 -23.700 -17.526 -9.340 91 HD3 LYS 16 2HD LYS 16 -25.080 -17.500 -8.240 92 HE2 LYS 16 1HE LYS 16 -24.336 -19.807 -10.035 93 HE3 LYS 16 2HE LYS 16 -23.944 -19.695 -8.320 94 HZ1 LYS 16 3HZ LYS 16 -26.682 -19.737 -9.472 95 HZ2 LYS 16 1HZ LYS 16 -26.310 -19.618 -7.825 96 HZ3 LYS 16 2HZ LYS 16 -25.921 -21.025 -8.681 97 H LEU 17 H LEU 17 -25.486 -14.089 -7.626 98 HA LEU 17 HA LEU 17 -25.761 -11.399 -8.790 99 HB2 LEU 17 1HB LEU 17 -26.779 -12.087 -6.486 100 HB3 LEU 17 2HB LEU 17 -25.125 -11.885 -5.913 101 HG LEU 17 HG LEU 17 -26.461 -9.894 -5.486 102 HD11 LEU 17 1HD1 LEU 17 -24.823 -8.411 -6.044 103 HD12 LEU 17 2HD1 LEU 17 -24.665 -9.028 -7.688 104 HD13 LEU 17 3HD1 LEU 17 -23.960 -9.920 -6.340 105 HD21 LEU 17 3HD2 LEU 17 -26.716 -8.796 -8.078 106 HD22 LEU 17 1HD2 LEU 17 -27.994 -9.219 -6.938 107 HD23 LEU 17 2HD2 LEU 17 -27.434 -10.408 -8.115 108 H GLN 18 H GLN 18 -23.940 -10.840 -9.797 109 HA GLN 18 HA GLN 18 -21.370 -11.550 -8.553 110 HB2 GLN 18 1HB GLN 18 -22.255 -11.224 -11.375 111 HB3 GLN 18 2HB GLN 18 -20.603 -10.767 -10.984 112 HG2 GLN 18 1HG GLN 18 -20.076 -12.956 -10.249 113 HG3 GLN 18 2HG GLN 18 -21.769 -13.446 -10.288 114 HE21 GLN 18 1HE2 GLN 18 -18.870 -13.139 -12.043 115 HE22 GLN 18 2HE2 GLN 18 -19.458 -13.697 -13.568 116 H GLU 19 H GLU 19 -21.073 -9.862 -7.150 117 HA GLU 19 HA GLU 19 -21.490 -7.133 -7.955 118 HB2 GLU 19 1HB GLU 19 -21.709 -8.114 -5.587 119 HB3 GLU 19 2HB GLU 19 -19.955 -8.021 -5.524 120 HG2 GLU 19 1HG GLU 19 -20.534 -6.039 -4.550 121 HG3 GLU 19 2HG GLU 19 -20.346 -5.542 -6.230 122 H GLU 20 H GLU 20 -20.156 -6.424 -9.524 123 HA GLU 20 HA GLU 20 -17.699 -7.131 -10.298 124 HB2 GLU 20 1HB GLU 20 -18.756 -4.321 -9.998 125 HB3 GLU 20 2HB GLU 20 -17.256 -4.696 -10.835 126 HG2 GLU 20 1HG GLU 20 -19.713 -6.142 -11.657 127 HG3 GLU 20 2HG GLU 20 -19.545 -4.448 -12.116 128 H VAL 21 H VAL 21 -15.651 -7.126 -9.581 129 HA VAL 21 HA VAL 21 -14.898 -7.069 -6.995 130 HB VAL 21 HB VAL 21 -13.407 -7.707 -8.868 131 HG11 VAL 21 1HG1 VAL 21 -12.383 -4.965 -9.190 132 HG12 VAL 21 2HG1 VAL 21 -12.560 -6.260 -10.375 133 HG13 VAL 21 3HG1 VAL 21 -13.956 -5.283 -9.920 134 HG21 VAL 21 3HG2 VAL 21 -11.745 -7.637 -7.392 135 HG22 VAL 21 1HG2 VAL 21 -11.586 -5.891 -7.586 136 HG23 VAL 21 2HG2 VAL 21 -12.724 -6.547 -6.410 137 H ILE 22 H ILE 22 -14.417 -5.625 -5.429 138 HA ILE 22 HA ILE 22 -14.596 -2.766 -6.126 139 HB ILE 22 HB ILE 22 -15.496 -4.031 -3.537 140 HG12 ILE 22 1HG1 ILE 22 -17.187 -2.862 -5.755 141 HG13 ILE 22 2HG1 ILE 22 -16.930 -4.587 -5.515 142 HG21 ILE 22 1HG2 ILE 22 -15.824 -1.212 -4.557 143 HG22 ILE 22 2HG2 ILE 22 -16.397 -1.842 -3.013 144 HG23 ILE 22 3HG2 ILE 22 -14.666 -1.726 -3.329 145 HD11 ILE 22 3HD1 ILE 22 -19.077 -3.629 -4.612 146 HD12 ILE 22 1HD1 ILE 22 -18.112 -4.579 -3.483 147 HD13 ILE 22 2HD1 ILE 22 -18.097 -2.817 -3.392 148 H CYS 23 H CYS 23 -13.339 -1.309 -4.863 149 HA CYS 23 HA CYS 23 -10.766 -2.360 -4.166 150 HB2 CYS 23 1HB CYS 23 -11.080 -0.156 -5.271 151 HB3 CYS 23 2HB CYS 23 -11.839 0.444 -3.800 152 HA PRO 24 HA PRO 24 -11.806 -3.154 0.088 153 HB2 PRO 24 1HB PRO 24 -9.315 -3.924 0.847 154 HB3 PRO 24 2HB PRO 24 -10.405 -4.969 -0.072 155 HG2 PRO 24 1HG PRO 24 -8.125 -3.289 -1.042 156 HG3 PRO 24 2HG PRO 24 -8.569 -4.944 -1.498 157 HD2 PRO 24 1HD PRO 24 -9.175 -2.798 -3.034 158 HD3 PRO 24 2HD PRO 24 -10.211 -4.237 -2.954 159 H ILE 25 H ILE 25 -10.208 -0.583 -1.162 160 HA ILE 25 HA ILE 25 -9.316 0.431 1.450 161 HB ILE 25 HB ILE 25 -8.664 1.377 -1.341 162 HG12 ILE 25 1HG1 ILE 25 -6.960 0.153 0.840 163 HG13 ILE 25 2HG1 ILE 25 -7.473 -0.648 -0.641 164 HG21 ILE 25 1HG2 ILE 25 -8.772 3.346 -0.066 165 HG22 ILE 25 2HG2 ILE 25 -8.041 2.575 1.341 166 HG23 ILE 25 3HG2 ILE 25 -7.064 2.911 -0.088 167 HD11 ILE 25 3HD1 ILE 25 -6.252 1.493 -1.688 168 HD12 ILE 25 1HD1 ILE 25 -5.334 1.323 -0.192 169 HD13 ILE 25 2HD1 ILE 25 -5.426 -0.023 -1.328 170 H CYS 26 H CYS 26 -10.797 1.766 -1.513 171 HA CYS 26 HA CYS 26 -12.190 3.755 0.097 172 HB2 CYS 26 1HB CYS 26 -12.888 4.655 -2.147 173 HB3 CYS 26 2HB CYS 26 -11.149 4.623 -1.876 174 H LEU 27 H LEU 27 -12.779 0.739 -1.399 175 HA LEU 27 HA LEU 27 -14.620 -0.600 -1.452 176 HB2 LEU 27 1HB LEU 27 -16.119 1.546 0.022 177 HB3 LEU 27 2HB LEU 27 -16.445 -0.185 -0.009 178 HG LEU 27 HG LEU 27 -13.915 0.884 1.194 179 HD11 LEU 27 1HD1 LEU 27 -14.886 1.381 3.197 180 HD12 LEU 27 2HD1 LEU 27 -16.269 0.322 2.919 181 HD13 LEU 27 3HD1 LEU 27 -16.178 1.885 2.107 182 HD21 LEU 27 3HD2 LEU 27 -15.553 -1.563 1.830 183 HD22 LEU 27 1HD2 LEU 27 -13.931 -1.176 2.406 184 HD23 LEU 27 2HD2 LEU 27 -14.197 -1.546 0.702 185 H ASP 28 H ASP 28 -14.097 0.967 -3.646 186 HA ASP 28 HA ASP 28 -16.808 1.625 -4.594 187 HB2 ASP 28 1HB ASP 28 -16.003 3.451 -5.846 188 HB3 ASP 28 2HB ASP 28 -15.191 3.594 -4.289 189 H ILE 29 H ILE 29 -17.229 1.211 -6.831 190 HA ILE 29 HA ILE 29 -16.455 -1.270 -7.746 191 HB ILE 29 HB ILE 29 -17.356 1.068 -9.432 192 HG12 ILE 29 1HG1 ILE 29 -19.030 -1.197 -8.349 193 HG13 ILE 29 2HG1 ILE 29 -18.838 0.330 -7.494 194 HG21 ILE 29 1HG2 ILE 29 -17.995 -0.538 -11.094 195 HG22 ILE 29 2HG2 ILE 29 -16.296 -0.792 -10.697 196 HG23 ILE 29 3HG2 ILE 29 -17.525 -1.876 -10.047 197 HD11 ILE 29 3HD1 ILE 29 -19.883 1.530 -9.271 198 HD12 ILE 29 1HD1 ILE 29 -19.906 0.094 -10.294 199 HD13 ILE 29 2HD1 ILE 29 -20.910 0.161 -8.845 200 H LEU 30 H LEU 30 -14.345 -1.793 -7.928 201 HA LEU 30 HA LEU 30 -12.259 -0.145 -8.742 202 HB2 LEU 30 1HB LEU 30 -12.676 -3.083 -8.589 203 HB3 LEU 30 2HB LEU 30 -11.276 -2.493 -9.483 204 HG LEU 30 HG LEU 30 -11.771 -1.585 -6.672 205 HD11 LEU 30 1HD1 LEU 30 -10.289 -3.445 -5.939 206 HD12 LEU 30 2HD1 LEU 30 -10.485 -4.168 -7.535 207 HD13 LEU 30 3HD1 LEU 30 -11.884 -3.966 -6.481 208 HD21 LEU 30 3HD2 LEU 30 -9.382 -1.268 -6.667 209 HD22 LEU 30 1HD2 LEU 30 -10.070 -0.473 -8.083 210 HD23 LEU 30 2HD2 LEU 30 -9.242 -2.021 -8.256 211 H GLN 31 H GLN 31 -12.767 1.050 -10.563 212 HA GLN 31 HA GLN 31 -13.685 -0.142 -12.988 213 HB2 GLN 31 1HB GLN 31 -14.049 2.257 -12.281 214 HB3 GLN 31 2HB GLN 31 -12.361 2.553 -12.677 215 HG2 GLN 31 1HG GLN 31 -12.708 2.355 -14.931 216 HG3 GLN 31 2HG GLN 31 -14.120 1.318 -14.733 217 HE21 GLN 31 1HE2 GLN 31 -13.985 3.557 -16.435 218 HE22 GLN 31 2HE2 GLN 31 -15.121 4.729 -15.869 219 H LYS 32 H LYS 32 -10.542 0.994 -11.818 220 HA LYS 32 HA LYS 32 -9.287 -0.375 -14.108 221 HB2 LYS 32 1HB LYS 32 -8.256 2.017 -12.571 222 HB3 LYS 32 2HB LYS 32 -7.414 1.211 -13.888 223 HG2 LYS 32 1HG LYS 32 -8.911 1.992 -15.489 224 HG3 LYS 32 2HG LYS 32 -10.147 2.366 -14.286 225 HD2 LYS 32 1HD LYS 32 -8.812 4.202 -13.438 226 HD3 LYS 32 2HD LYS 32 -7.500 3.793 -14.546 227 HE2 LYS 32 1HE LYS 32 -9.273 4.116 -16.395 228 HE3 LYS 32 2HE LYS 32 -10.193 4.962 -15.152 229 HZ1 LYS 32 3HZ LYS 32 -8.530 6.582 -14.940 230 HZ2 LYS 32 1HZ LYS 32 -8.709 6.364 -16.608 231 HZ3 LYS 32 2HZ LYS 32 -7.394 5.671 -15.801 232 HA PRO 33 HA PRO 33 -8.005 -2.649 -10.306 233 HB2 PRO 33 1HB PRO 33 -8.067 -5.092 -11.489 234 HB3 PRO 33 2HB PRO 33 -9.497 -4.331 -10.781 235 HG2 PRO 33 1HG PRO 33 -8.641 -4.459 -13.647 236 HG3 PRO 33 2HG PRO 33 -10.257 -4.683 -12.951 237 HD2 PRO 33 1HD PRO 33 -9.482 -2.366 -14.119 238 HD3 PRO 33 2HD PRO 33 -10.628 -2.416 -12.763 239 H VAL 34 H VAL 34 -5.884 -2.344 -10.002 240 HA VAL 34 HA VAL 34 -4.017 -3.152 -12.129 241 HB VAL 34 HB VAL 34 -3.553 -1.285 -9.799 242 HG11 VAL 34 1HG1 VAL 34 -1.426 -0.772 -11.002 243 HG12 VAL 34 2HG1 VAL 34 -1.505 -2.402 -10.331 244 HG13 VAL 34 3HG1 VAL 34 -1.754 -2.146 -12.058 245 HG21 VAL 34 3HG2 VAL 34 -3.410 -0.398 -12.628 246 HG22 VAL 34 1HG2 VAL 34 -5.008 -0.663 -11.929 247 HG23 VAL 34 2HG2 VAL 34 -3.900 0.491 -11.186 248 H THR 35 H THR 35 -2.770 -4.874 -11.825 249 HA THR 35 HA THR 35 -2.772 -6.173 -9.211 250 HB THR 35 HB THR 35 -1.743 -7.171 -11.875 251 HG1 THR 35 1HG THR 35 -3.651 -8.427 -11.829 252 HG21 THR 35 3HG2 THR 35 -1.288 -9.222 -10.885 253 HG22 THR 35 1HG2 THR 35 -2.307 -8.889 -9.486 254 HG23 THR 35 2HG2 THR 35 -0.748 -8.082 -9.652 255 H ILE 36 H ILE 36 -1.218 -5.582 -7.848 256 HA ILE 36 HA ILE 36 1.334 -4.610 -8.825 257 HB ILE 36 HB ILE 36 1.845 -4.290 -6.391 258 HG12 ILE 36 1HG1 ILE 36 -1.053 -5.084 -6.040 259 HG13 ILE 36 2HG1 ILE 36 0.324 -6.068 -5.559 260 HG21 ILE 36 1HG2 ILE 36 0.894 -2.521 -7.835 261 HG22 ILE 36 2HG2 ILE 36 -0.719 -3.008 -7.319 262 HG23 ILE 36 3HG2 ILE 36 0.423 -2.360 -6.143 263 HD11 ILE 36 3HD1 ILE 36 -0.781 -4.778 -3.724 264 HD12 ILE 36 1HD1 ILE 36 0.955 -4.518 -3.888 265 HD13 ILE 36 2HD1 ILE 36 -0.179 -3.308 -4.490 266 H ASP 37 H ASP 37 3.283 -5.386 -7.375 267 HA ASP 37 HA ASP 37 4.006 -7.918 -8.156 268 HB2 ASP 37 1HB ASP 37 5.465 -6.068 -7.155 269 HB3 ASP 37 2HB ASP 37 4.992 -6.701 -5.581 270 H CYS 38 H CYS 38 2.499 -6.941 -5.103 271 HA CYS 38 HA CYS 38 2.573 -9.458 -3.852 272 HB2 CYS 38 1HB CYS 38 1.308 -8.502 -2.185 273 HB3 CYS 38 2HB CYS 38 1.938 -7.050 -2.957 274 H GLY 39 H GLY 39 0.461 -8.116 -6.267 275 HA2 GLY 39 1HA GLY 39 -0.721 -9.686 -7.699 276 HA3 GLY 39 2HA GLY 39 -1.040 -10.657 -6.269 277 H HIS 40 H HIS 40 -1.996 -8.865 -4.477 278 HA HIS 40 HA HIS 40 -4.654 -8.665 -4.956 279 HB2 HIS 40 1HB HIS 40 -2.965 -6.705 -3.389 280 HB3 HIS 40 2HB HIS 40 -4.719 -6.825 -3.283 281 HD2 HIS 40 2HD HIS 40 -4.599 -10.239 -3.175 282 HE1 HIS 40 1HE HIS 40 -2.677 -9.412 0.516 283 HE2 HIS 40 2HE HIS 40 -3.784 -11.173 -0.904 284 H ASN 41 H ASN 41 -6.090 -7.195 -5.825 285 HA ASN 41 HA ASN 41 -4.903 -5.268 -7.697 286 HB2 ASN 41 1HB ASN 41 -7.539 -6.727 -7.661 287 HB3 ASN 41 2HB ASN 41 -7.275 -5.326 -8.695 288 HD21 ASN 41 1HD2 ASN 41 -6.490 -8.642 -8.102 289 HD22 ASN 41 2HD2 ASN 41 -5.677 -8.934 -9.598 290 H PHE 42 H PHE 42 -5.210 -3.142 -7.463 291 HA PHE 42 HA PHE 42 -7.241 -2.235 -5.532 292 HB2 PHE 42 1HB PHE 42 -4.393 -1.304 -5.870 293 HB3 PHE 42 2HB PHE 42 -5.607 -0.331 -5.046 294 HD1 PHE 42 1HD PHE 42 -6.558 -1.069 -2.920 295 HD2 PHE 42 2HD PHE 42 -3.464 -3.258 -4.855 296 HE1 PHE 42 1HE PHE 42 -6.117 -2.287 -0.828 297 HE2 PHE 42 2HE PHE 42 -3.018 -4.480 -2.766 298 HZ PHE 42 HZ PHE 42 -4.346 -3.996 -0.750 299 H CYS 43 H CYS 43 -7.478 0.291 -5.799 300 HA CYS 43 HA CYS 43 -8.029 0.732 -8.648 301 HB2 CYS 43 1HB CYS 43 -9.846 2.005 -8.049 302 HB3 CYS 43 2HB CYS 43 -9.780 0.913 -6.670 303 H LEU 44 H LEU 44 -7.130 2.373 -9.766 304 HA LEU 44 HA LEU 44 -4.738 3.490 -9.164 305 HB2 LEU 44 1HB LEU 44 -5.657 3.689 -11.359 306 HB3 LEU 44 2HB LEU 44 -6.994 4.673 -10.768 307 HG LEU 44 HG LEU 44 -5.189 6.388 -10.132 308 HD11 LEU 44 1HD1 LEU 44 -3.192 5.182 -10.325 309 HD12 LEU 44 2HD1 LEU 44 -3.223 6.221 -11.749 310 HD13 LEU 44 3HD1 LEU 44 -3.642 4.514 -11.894 311 HD21 LEU 44 3HD2 LEU 44 -6.139 5.707 -12.881 312 HD22 LEU 44 1HD2 LEU 44 -5.028 7.057 -12.645 313 HD23 LEU 44 2HD2 LEU 44 -6.595 7.052 -11.834 314 H LYS 45 H LYS 45 -7.821 5.246 -8.771 315 HA LYS 45 HA LYS 45 -7.030 7.538 -7.602 316 HB2 LYS 45 1HB LYS 45 -9.315 5.891 -6.510 317 HB3 LYS 45 2HB LYS 45 -9.144 7.640 -6.448 318 HG2 LYS 45 1HG LYS 45 -9.158 7.556 -8.999 319 HG3 LYS 45 2HG LYS 45 -9.747 5.902 -8.814 320 HD2 LYS 45 1HD LYS 45 -11.742 6.588 -7.844 321 HD3 LYS 45 2HD LYS 45 -11.085 8.154 -7.363 322 HE2 LYS 45 1HE LYS 45 -12.521 8.623 -9.159 323 HE3 LYS 45 2HE LYS 45 -10.900 8.658 -9.851 324 HZ1 LYS 45 3HZ LYS 45 -13.096 6.894 -10.422 325 HZ2 LYS 45 1HZ LYS 45 -11.640 6.074 -10.156 326 HZ3 LYS 45 2HZ LYS 45 -11.734 7.262 -11.356 327 H CYS 46 H CYS 46 -6.967 4.369 -6.128 328 HA CYS 46 HA CYS 46 -6.192 5.468 -3.542 329 HB2 CYS 46 1HB CYS 46 -7.069 2.810 -4.546 330 HB3 CYS 46 2HB CYS 46 -5.987 2.824 -3.157 331 H ILE 47 H ILE 47 -4.890 2.835 -5.566 332 HA ILE 47 HA ILE 47 -2.433 2.503 -4.545 333 HB ILE 47 HB ILE 47 -3.064 2.701 -7.491 334 HG12 ILE 47 1HG1 ILE 47 -2.839 0.271 -5.705 335 HG13 ILE 47 2HG1 ILE 47 -4.364 1.032 -6.147 336 HG21 ILE 47 1HG2 ILE 47 -0.965 0.896 -7.063 337 HG22 ILE 47 2HG2 ILE 47 -0.889 2.464 -7.866 338 HG23 ILE 47 3HG2 ILE 47 -0.557 2.341 -6.139 339 HD11 ILE 47 3HD1 ILE 47 -2.863 0.504 -8.512 340 HD12 ILE 47 1HD1 ILE 47 -2.949 -0.959 -7.531 341 HD13 ILE 47 2HD1 ILE 47 -4.430 -0.135 -8.019 342 H THR 48 H THR 48 -3.491 5.282 -6.388 343 HA THR 48 HA THR 48 -0.836 6.405 -6.591 344 HB THR 48 HB THR 48 -3.524 7.642 -7.217 345 HG1 THR 48 1HG THR 48 -1.594 6.259 -8.773 346 HG21 THR 48 3HG2 THR 48 -1.220 8.729 -8.599 347 HG22 THR 48 1HG2 THR 48 -1.080 8.916 -6.851 348 HG23 THR 48 2HG2 THR 48 -2.486 9.562 -7.698 349 H GLN 49 H GLN 49 -3.739 6.910 -4.649 350 HA GLN 49 HA GLN 49 -2.838 9.242 -3.321 351 HB2 GLN 49 1HB GLN 49 -4.783 9.126 -2.119 352 HB3 GLN 49 2HB GLN 49 -5.221 8.096 -3.475 353 HG2 GLN 49 1HG GLN 49 -4.766 6.119 -2.190 354 HG3 GLN 49 2HG GLN 49 -4.151 7.087 -0.851 355 HE21 GLN 49 1HE2 GLN 49 -5.786 5.791 0.310 356 HE22 GLN 49 2HE2 GLN 49 -7.405 6.391 0.371 357 H ILE 50 H ILE 50 -2.596 5.799 -2.585 358 HA ILE 50 HA ILE 50 -1.780 5.677 -0.028 359 HB ILE 50 HB ILE 50 -0.352 4.290 -2.301 360 HG12 ILE 50 1HG1 ILE 50 -2.768 3.901 -2.355 361 HG13 ILE 50 2HG1 ILE 50 -1.919 2.441 -1.860 362 HG21 ILE 50 1HG2 ILE 50 0.939 3.349 -0.763 363 HG22 ILE 50 2HG2 ILE 50 0.146 4.298 0.494 364 HG23 ILE 50 3HG2 ILE 50 -0.491 2.714 0.051 365 HD11 ILE 50 3HD1 ILE 50 -2.415 3.372 0.546 366 HD12 ILE 50 1HD1 ILE 50 -3.710 4.218 -0.300 367 HD13 ILE 50 2HD1 ILE 50 -3.624 2.457 -0.355 368 H GLY 51 H GLY 51 0.365 6.549 -2.738 369 HA2 GLY 51 1HA GLY 51 1.869 8.323 -1.035 370 HA3 GLY 51 2HA GLY 51 2.758 6.877 -1.492 371 H GLU 52 H GLU 52 4.161 8.652 -2.409 372 HA GLU 52 HA GLU 52 3.262 10.018 -4.753 373 HB2 GLU 52 1HB GLU 52 6.001 9.576 -3.569 374 HB3 GLU 52 2HB GLU 52 5.734 10.502 -5.039 375 HG2 GLU 52 1HG GLU 52 4.636 11.128 -2.309 376 HG3 GLU 52 2HG GLU 52 5.942 11.974 -3.137 377 H THR 53 H THR 53 3.476 9.487 -6.864 378 HA THR 53 HA THR 53 4.026 6.726 -7.490 379 HB THR 53 HB THR 53 3.371 7.313 -9.784 380 HG1 THR 53 1HG THR 53 3.324 9.952 -8.720 381 HG21 THR 53 3HG2 THR 53 1.204 7.191 -9.229 382 HG22 THR 53 1HG2 THR 53 1.246 8.742 -8.394 383 HG23 THR 53 2HG2 THR 53 1.747 7.275 -7.554 384 H SER 54 H SER 54 5.385 9.871 -8.462 385 HA SER 54 HA SER 54 7.394 8.960 -10.139 386 HB2 SER 54 1HB SER 54 7.504 11.344 -8.274 387 HB3 SER 54 2HB SER 54 8.538 11.087 -9.680 388 HG SER 54 HG SER 54 5.727 11.469 -9.656 389 H CYS 55 H CYS 55 8.965 7.559 -9.755 390 HA CYS 55 HA CYS 55 10.357 6.172 -8.553 391 HB2 CYS 55 1HB CYS 55 11.554 8.435 -9.097 392 HB3 CYS 55 2HB CYS 55 11.469 8.687 -7.358 393 HG CYS 55 HG CYS 55 12.682 5.690 -8.179 394 H GLY 56 H GLY 56 8.057 6.068 -7.219 395 HA2 GLY 56 1HA GLY 56 8.924 6.177 -4.403 396 HA3 GLY 56 2HA GLY 56 7.340 6.780 -4.866 397 H PHE 57 H PHE 57 8.988 4.161 -3.679 398 HA PHE 57 HA PHE 57 7.151 2.173 -4.776 399 HB2 PHE 57 1HB PHE 57 8.593 0.511 -3.849 400 HB3 PHE 57 2HB PHE 57 9.631 1.731 -4.582 401 HD1 PHE 57 1HD PHE 57 10.700 3.457 -3.080 402 HD2 PHE 57 2HD PHE 57 8.801 -0.049 -1.592 403 HE1 PHE 57 1HE PHE 57 11.905 3.712 -0.950 404 HE2 PHE 57 2HE PHE 57 10.002 0.200 0.540 405 HZ PHE 57 HZ PHE 57 11.556 2.083 0.864 406 H PHE 58 H PHE 58 5.262 1.938 -3.791 407 HA PHE 58 HA PHE 58 5.092 2.418 -0.899 408 HB2 PHE 58 1HB PHE 58 2.873 3.031 -1.173 409 HB3 PHE 58 2HB PHE 58 3.581 3.596 -2.683 410 HD1 PHE 58 1HD PHE 58 3.264 2.270 -4.759 411 HD2 PHE 58 2HD PHE 58 1.218 1.349 -1.142 412 HE1 PHE 58 1HE PHE 58 1.640 0.925 -6.025 413 HE2 PHE 58 2HE PHE 58 -0.410 0.002 -2.402 414 HZ PHE 58 HZ PHE 58 -0.200 -0.213 -4.847 415 H LYS 59 H LYS 59 3.884 0.966 0.429 416 HA LYS 59 HA LYS 59 4.105 -1.805 -0.483 417 HB2 LYS 59 1HB LYS 59 3.907 -2.396 1.891 418 HB3 LYS 59 2HB LYS 59 5.210 -1.246 1.622 419 HG2 LYS 59 1HG LYS 59 4.164 -0.459 3.537 420 HG3 LYS 59 2HG LYS 59 3.491 0.549 2.254 421 HD2 LYS 59 1HD LYS 59 1.425 -0.449 2.368 422 HD3 LYS 59 2HD LYS 59 2.074 -1.968 2.990 423 HE2 LYS 59 1HE LYS 59 1.064 -1.139 4.874 424 HE3 LYS 59 2HE LYS 59 2.689 -0.485 5.067 425 HZ1 LYS 59 3HZ LYS 59 1.316 1.370 3.565 426 HZ2 LYS 59 1HZ LYS 59 1.750 1.503 5.195 427 HZ3 LYS 59 2HZ LYS 59 0.228 0.898 4.772 428 H CYS 60 H CYS 60 2.401 -3.338 0.059 429 HA CYS 60 HA CYS 60 -0.177 -2.319 -0.668 430 HB2 CYS 60 1HB CYS 60 0.618 -4.507 -1.465 431 HB3 CYS 60 2HB CYS 60 0.645 -5.101 0.193 432 HA PRO 61 HA PRO 61 -1.622 -1.517 3.438 433 HB2 PRO 61 1HB PRO 61 -4.242 -1.182 2.812 434 HB3 PRO 61 2HB PRO 61 -3.009 0.038 2.470 435 HG2 PRO 61 1HG PRO 61 -4.223 -1.994 0.637 436 HG3 PRO 61 2HG PRO 61 -3.864 -0.284 0.332 437 HD2 PRO 61 1HD PRO 61 -2.261 -2.286 -0.536 438 HD3 PRO 61 2HD PRO 61 -1.632 -0.694 -0.068 439 H LEU 62 H LEU 62 -2.659 -4.125 1.425 440 HA LEU 62 HA LEU 62 -4.267 -5.351 3.516 441 HB2 LEU 62 1HB LEU 62 -3.619 -6.081 0.679 442 HB3 LEU 62 2HB LEU 62 -4.411 -7.219 1.766 443 HG LEU 62 HG LEU 62 -5.563 -4.497 1.233 444 HD11 LEU 62 1HD1 LEU 62 -6.423 -6.937 -0.269 445 HD12 LEU 62 2HD1 LEU 62 -5.119 -5.918 -0.878 446 HD13 LEU 62 3HD1 LEU 62 -6.726 -5.237 -0.628 447 HD21 LEU 62 3HD2 LEU 62 -7.600 -5.484 1.984 448 HD22 LEU 62 1HD2 LEU 62 -6.349 -5.889 3.160 449 HD23 LEU 62 2HD2 LEU 62 -6.885 -7.097 1.991 450 H CYS 63 H CYS 63 -1.386 -6.211 1.601 451 HA CYS 63 HA CYS 63 -0.543 -7.940 3.835 452 HB2 CYS 63 1HB CYS 63 0.544 -9.403 2.234 453 HB3 CYS 63 2HB CYS 63 -1.150 -9.211 1.793 454 H LYS 64 H LYS 64 1.209 -7.246 4.848 455 HA LYS 64 HA LYS 64 2.830 -5.140 3.738 456 HB2 LYS 64 1HB LYS 64 2.744 -6.601 6.354 457 HB3 LYS 64 2HB LYS 64 4.145 -5.618 5.949 458 HG2 LYS 64 1HG LYS 64 1.357 -4.520 5.832 459 HG3 LYS 64 2HG LYS 64 2.299 -4.534 7.325 460 HD2 LYS 64 1HD LYS 64 3.547 -3.425 4.856 461 HD3 LYS 64 2HD LYS 64 2.337 -2.456 5.701 462 HE2 LYS 64 1HE LYS 64 3.628 -2.576 7.747 463 HE3 LYS 64 2HE LYS 64 4.800 -3.644 6.976 464 HZ1 LYS 64 3HZ LYS 64 4.501 -1.291 5.448 465 HZ2 LYS 64 1HZ LYS 64 5.888 -1.893 6.208 466 HZ3 LYS 64 2HZ LYS 64 4.835 -0.873 7.052 467 H THR 65 H THR 65 3.037 -7.291 2.075 468 HA THR 65 HA THR 65 5.456 -8.762 2.722 469 HB THR 65 HB THR 65 3.609 -9.911 1.558 470 HG1 THR 65 1HG THR 65 5.976 -10.358 1.194 471 HG21 THR 65 3HG2 THR 65 3.130 -7.736 0.172 472 HG22 THR 65 1HG2 THR 65 2.813 -9.323 -0.527 473 HG23 THR 65 2HG2 THR 65 4.282 -8.448 -0.959 474 H SER 66 H SER 66 7.297 -8.808 1.271 475 HA SER 66 HA SER 66 8.351 -6.286 0.736 476 HB2 SER 66 1HB SER 66 9.166 -8.940 -0.475 477 HB3 SER 66 2HB SER 66 10.146 -7.474 -0.463 478 HG SER 66 HG SER 66 10.776 -8.746 1.256 479 H VAL 67 H VAL 67 7.263 -4.935 -0.588 480 HA VAL 67 HA VAL 67 7.053 -5.727 -3.404 481 HB VAL 67 HB VAL 67 4.868 -4.591 -3.599 482 HG11 VAL 67 1HG1 VAL 67 3.740 -6.386 -1.887 483 HG12 VAL 67 2HG1 VAL 67 4.321 -6.766 -3.509 484 HG13 VAL 67 3HG1 VAL 67 5.351 -7.067 -2.109 485 HG21 VAL 67 3HG2 VAL 67 3.760 -4.535 -1.125 486 HG22 VAL 67 1HG2 VAL 67 5.409 -4.020 -0.768 487 HG23 VAL 67 2HG2 VAL 67 4.441 -3.128 -1.942 488 H ARG 68 H ARG 68 7.732 -4.205 -4.794 489 HA ARG 68 HA ARG 68 7.896 -1.421 -3.905 490 HB2 ARG 68 1HB ARG 68 10.199 -3.069 -4.944 491 HB3 ARG 68 2HB ARG 68 10.210 -1.311 -4.942 492 HG2 ARG 68 1HG ARG 68 10.097 -1.238 -2.562 493 HG3 ARG 68 2HG ARG 68 9.818 -2.979 -2.471 494 HD2 ARG 68 1HD ARG 68 12.130 -2.418 -1.916 495 HD3 ARG 68 2HD ARG 68 12.040 -3.392 -3.383 496 HE ARG 68 HE ARG 68 12.108 -0.938 -4.406 497 HH11 ARG 68 2HH1 ARG 68 14.012 -2.393 -1.881 498 HH12 ARG 68 1HH1 ARG 68 15.416 -1.431 -2.206 499 HH21 ARG 68 2HH2 ARG 68 13.949 0.335 -4.844 500 HH22 ARG 68 1HH2 ARG 68 15.378 0.121 -3.891 501 H LYS 69 H LYS 69 7.466 0.038 -5.472 502 HA LYS 69 HA LYS 69 6.056 -0.502 -7.707 503 HB2 LYS 69 1HB LYS 69 6.650 1.773 -6.707 504 HB3 LYS 69 2HB LYS 69 8.103 1.711 -7.695 505 HG2 LYS 69 1HG LYS 69 6.886 1.807 -9.693 506 HG3 LYS 69 2HG LYS 69 5.370 1.398 -8.888 507 HD2 LYS 69 1HD LYS 69 5.558 3.566 -7.639 508 HD3 LYS 69 2HD LYS 69 6.925 3.972 -8.680 509 HE2 LYS 69 1HE LYS 69 4.236 3.209 -9.785 510 HE3 LYS 69 2HE LYS 69 4.634 4.871 -9.352 511 HZ1 LYS 69 3HZ LYS 69 5.542 3.275 -11.595 512 HZ2 LYS 69 1HZ LYS 69 6.734 4.221 -10.856 513 HZ3 LYS 69 2HZ LYS 69 5.336 4.949 -11.469 514 H ASN 70 H ASN 70 9.594 -0.276 -7.551 515 HA ASN 70 HA ASN 70 9.773 -1.239 -10.309 516 HB2 ASN 70 1HB ASN 70 12.134 -0.633 -10.187 517 HB3 ASN 70 2HB ASN 70 11.133 0.724 -9.675 518 HD21 ASN 70 1HD2 ASN 70 13.926 -0.632 -9.051 519 HD22 ASN 70 2HD2 ASN 70 14.050 -0.398 -7.344 520 H ALA 71 H ALA 71 9.227 -3.405 -10.051 521 HA ALA 71 HA ALA 71 11.243 -5.018 -8.632 522 HB1 ALA 71 3HB ALA 71 9.346 -6.685 -8.271 523 HB2 ALA 71 1HB ALA 71 9.346 -5.231 -7.273 524 HB3 ALA 71 2HB ALA 71 8.259 -5.351 -8.658 525 H ILE 72 H ILE 72 12.336 -5.167 -10.674 526 HA ILE 72 HA ILE 72 10.957 -6.693 -12.758 527 HB ILE 72 HB ILE 72 12.899 -6.187 -14.173 528 HG12 ILE 72 1HG1 ILE 72 13.906 -4.423 -11.944 529 HG13 ILE 72 2HG1 ILE 72 14.487 -6.069 -12.170 530 HG21 ILE 72 1HG2 ILE 72 12.359 -3.493 -13.203 531 HG22 ILE 72 2HG2 ILE 72 11.989 -4.233 -14.759 532 HG23 ILE 72 3HG2 ILE 72 10.905 -4.473 -13.389 533 HD11 ILE 72 3HD1 ILE 72 15.017 -5.318 -14.570 534 HD12 ILE 72 1HD1 ILE 72 14.857 -3.684 -13.928 535 HD13 ILE 72 2HD1 ILE 72 16.067 -4.780 -13.259 536 H ARG 73 H ARG 73 11.744 -8.647 -13.554 537 HA ARG 73 HA ARG 73 14.023 -9.888 -12.237 538 HB2 ARG 73 1HB ARG 73 11.185 -10.782 -11.915 539 HB3 ARG 73 2HB ARG 73 12.465 -11.988 -11.958 540 HG2 ARG 73 1HG ARG 73 13.538 -10.989 -10.050 541 HG3 ARG 73 2HG ARG 73 12.374 -9.663 -10.049 542 HD2 ARG 73 1HD ARG 73 11.806 -12.576 -9.522 543 HD3 ARG 73 2HD ARG 73 11.773 -11.263 -8.347 544 HE ARG 73 HE ARG 73 9.712 -10.610 -9.158 545 HH11 ARG 73 2HH1 ARG 73 11.093 -13.065 -11.204 546 HH12 ARG 73 1HH1 ARG 73 9.627 -13.340 -12.085 547 HH21 ARG 73 2HH2 ARG 73 7.775 -10.963 -10.310 548 HH22 ARG 73 1HH2 ARG 73 7.741 -12.143 -11.576 Start of MODEL 6 1 H1 GLY 1 H GLY 1 2.453 7.217 -35.114 2 HA2 GLY 1 1HA GLY 1 0.849 8.906 -35.205 3 HA3 GLY 1 2HA GLY 1 -0.306 7.742 -35.838 4 H SER 2 H SER 2 -1.265 9.444 -34.039 5 HA SER 2 HA SER 2 -1.119 8.206 -31.399 6 HB2 SER 2 1HB SER 2 -2.468 10.156 -30.667 7 HB3 SER 2 2HB SER 2 -0.978 10.640 -31.477 8 HG SER 2 HG SER 2 -2.135 11.179 -33.278 9 H SER 3 H SER 3 -2.617 6.862 -30.641 10 HA SER 3 HA SER 3 -4.613 5.742 -32.200 11 HB2 SER 3 1HB SER 3 -3.919 4.512 -30.304 12 HB3 SER 3 2HB SER 3 -4.232 5.860 -29.211 13 HG SER 3 HG SER 3 -5.864 4.242 -29.117 14 H GLY 4 H GLY 4 -6.601 6.338 -32.784 15 HA2 GLY 4 1HA GLY 4 -7.598 8.921 -32.100 16 HA3 GLY 4 2HA GLY 4 -8.427 7.712 -33.069 17 H SER 5 H SER 5 -9.995 6.471 -32.159 18 HA SER 5 HA SER 5 -10.305 6.186 -29.332 19 HB2 SER 5 1HB SER 5 -11.138 8.571 -29.914 20 HB3 SER 5 2HB SER 5 -12.517 7.749 -30.642 21 HG SER 5 HG SER 5 -12.777 6.692 -28.561 22 H SER 6 H SER 6 -11.378 4.356 -28.930 23 HA SER 6 HA SER 6 -13.531 3.432 -30.593 24 HB2 SER 6 1HB SER 6 -11.507 2.737 -31.889 25 HB3 SER 6 2HB SER 6 -11.007 1.764 -30.507 26 HG SER 6 HG SER 6 -13.443 1.038 -30.918 27 H GLY 7 H GLY 7 -14.793 1.895 -29.584 28 HA2 GLY 7 1HA GLY 7 -13.877 0.432 -27.291 29 HA3 GLY 7 2HA GLY 7 -14.912 1.783 -26.854 30 H MET 8 H MET 8 -15.110 -1.317 -26.940 31 HA MET 8 HA MET 8 -17.905 -1.422 -27.320 32 HB2 MET 8 1HB MET 8 -16.805 -1.393 -29.726 33 HB3 MET 8 2HB MET 8 -16.544 -3.097 -29.383 34 HG2 MET 8 1HG MET 8 -18.606 -2.703 -30.636 35 HG3 MET 8 2HG MET 8 -18.909 -3.438 -29.064 36 HE1 MET 8 3HE MET 8 -20.809 -2.944 -27.960 37 HE2 MET 8 1HE MET 8 -19.964 -1.832 -26.883 38 HE3 MET 8 2HE MET 8 -21.507 -1.365 -27.598 39 H ALA 9 H ALA 9 -18.801 -3.452 -26.744 40 HA ALA 9 HA ALA 9 -16.907 -5.506 -25.856 41 HB1 ALA 9 3HB ALA 9 -17.246 -4.269 -23.861 42 HB2 ALA 9 1HB ALA 9 -18.987 -4.182 -24.131 43 HB3 ALA 9 2HB ALA 9 -18.233 -5.725 -23.727 44 H SER 10 H SER 10 -18.119 -7.527 -25.148 45 HA SER 10 HA SER 10 -20.389 -7.949 -26.977 46 HB2 SER 10 1HB SER 10 -18.087 -9.227 -27.198 47 HB3 SER 10 2HB SER 10 -18.769 -10.230 -25.917 48 HG SER 10 HG SER 10 -19.539 -11.193 -27.673 49 H GLY 11 H GLY 11 -22.285 -8.644 -26.182 50 HA2 GLY 11 1HA GLY 11 -22.433 -9.096 -23.282 51 HA3 GLY 11 2HA GLY 11 -23.774 -8.627 -24.317 52 H GLN 12 H GLN 12 -22.033 -11.227 -22.923 53 HA GLN 12 HA GLN 12 -23.296 -13.247 -24.580 54 HB2 GLN 12 1HB GLN 12 -22.029 -14.852 -23.258 55 HB3 GLN 12 2HB GLN 12 -20.977 -13.561 -23.824 56 HG2 GLN 12 1HG GLN 12 -22.206 -13.310 -21.131 57 HG3 GLN 12 2HG GLN 12 -20.872 -14.440 -21.352 58 HE21 GLN 12 1HE2 GLN 12 -21.284 -11.711 -20.014 59 HE22 GLN 12 2HE2 GLN 12 -19.912 -10.800 -20.535 60 H PHE 13 H PHE 13 -24.341 -15.138 -23.408 61 HA PHE 13 HA PHE 13 -26.718 -14.411 -22.268 62 HB2 PHE 13 1HB PHE 13 -25.191 -16.966 -21.727 63 HB3 PHE 13 2HB PHE 13 -26.916 -16.729 -21.469 64 HD1 PHE 13 1HD PHE 13 -28.392 -16.294 -23.446 65 HD2 PHE 13 2HD PHE 13 -24.342 -17.545 -23.836 66 HE1 PHE 13 1HE PHE 13 -28.837 -17.000 -25.761 67 HE2 PHE 13 2HE PHE 13 -24.780 -18.252 -26.152 68 HZ PHE 13 HZ PHE 13 -27.029 -17.979 -27.118 69 H VAL 14 H VAL 14 -27.289 -13.522 -20.404 70 HA VAL 14 HA VAL 14 -25.358 -13.260 -18.265 71 HB VAL 14 HB VAL 14 -26.802 -11.358 -18.926 72 HG11 VAL 14 1HG1 VAL 14 -29.119 -11.314 -18.544 73 HG12 VAL 14 2HG1 VAL 14 -28.817 -12.868 -19.324 74 HG13 VAL 14 3HG1 VAL 14 -29.073 -12.790 -17.580 75 HG21 VAL 14 3HG2 VAL 14 -26.217 -10.729 -16.869 76 HG22 VAL 14 1HG2 VAL 14 -27.792 -11.316 -16.335 77 HG23 VAL 14 2HG2 VAL 14 -26.381 -12.370 -16.245 78 H ASN 15 H ASN 15 -26.043 -15.918 -18.624 79 HA ASN 15 HA ASN 15 -28.072 -16.649 -16.700 80 HB2 ASN 15 1HB ASN 15 -26.105 -18.322 -18.277 81 HB3 ASN 15 2HB ASN 15 -27.361 -18.981 -17.233 82 HD21 ASN 15 1HD2 ASN 15 -27.548 -19.897 -19.618 83 HD22 ASN 15 2HD2 ASN 15 -28.769 -19.119 -20.562 84 H LYS 16 H LYS 16 -24.592 -16.381 -16.833 85 HA LYS 16 HA LYS 16 -24.347 -17.538 -14.151 86 HB2 LYS 16 1HB LYS 16 -22.406 -16.980 -16.365 87 HB3 LYS 16 2HB LYS 16 -21.823 -17.145 -14.714 88 HG2 LYS 16 1HG LYS 16 -21.611 -19.259 -15.782 89 HG3 LYS 16 2HG LYS 16 -22.934 -19.374 -14.619 90 HD2 LYS 16 1HD LYS 16 -24.569 -19.257 -16.331 91 HD3 LYS 16 2HD LYS 16 -23.375 -18.766 -17.535 92 HE2 LYS 16 1HE LYS 16 -22.257 -21.028 -17.043 93 HE3 LYS 16 2HE LYS 16 -23.784 -21.459 -16.275 94 HZ1 LYS 16 3HZ LYS 16 -24.507 -22.009 -18.282 95 HZ2 LYS 16 1HZ LYS 16 -23.131 -21.374 -19.035 96 HZ3 LYS 16 2HZ LYS 16 -24.457 -20.374 -18.715 97 H LEU 17 H LEU 17 -24.476 -16.190 -12.491 98 HA LEU 17 HA LEU 17 -24.616 -13.464 -12.527 99 HB2 LEU 17 1HB LEU 17 -23.757 -13.591 -10.132 100 HB3 LEU 17 2HB LEU 17 -25.208 -14.508 -10.531 101 HG LEU 17 HG LEU 17 -23.589 -16.503 -10.820 102 HD11 LEU 17 1HD1 LEU 17 -21.487 -15.431 -10.771 103 HD12 LEU 17 2HD1 LEU 17 -21.634 -16.285 -9.235 104 HD13 LEU 17 3HD1 LEU 17 -21.889 -14.541 -9.302 105 HD21 LEU 17 3HD2 LEU 17 -23.718 -16.983 -8.404 106 HD22 LEU 17 1HD2 LEU 17 -25.240 -16.379 -9.059 107 HD23 LEU 17 2HD2 LEU 17 -24.199 -15.311 -8.117 108 H GLN 18 H GLN 18 -22.984 -11.959 -11.361 109 HA GLN 18 HA GLN 18 -20.205 -12.522 -11.909 110 HB2 GLN 18 1HB GLN 18 -21.809 -10.600 -13.554 111 HB3 GLN 18 2HB GLN 18 -20.110 -10.272 -13.242 112 HG2 GLN 18 1HG GLN 18 -19.623 -12.571 -14.153 113 HG3 GLN 18 2HG GLN 18 -21.303 -12.620 -14.683 114 HE21 GLN 18 1HE2 GLN 18 -22.001 -11.119 -16.262 115 HE22 GLN 18 2HE2 GLN 18 -20.874 -10.381 -17.344 116 H GLU 19 H GLU 19 -19.417 -11.979 -9.975 117 HA GLU 19 HA GLU 19 -20.507 -9.813 -8.430 118 HB2 GLU 19 1HB GLU 19 -18.532 -10.384 -6.904 119 HB3 GLU 19 2HB GLU 19 -19.760 -11.621 -7.133 120 HG2 GLU 19 1HG GLU 19 -18.380 -12.955 -8.394 121 HG3 GLU 19 2HG GLU 19 -17.358 -11.609 -8.893 122 H GLU 20 H GLU 20 -19.954 -7.751 -8.594 123 HA GLU 20 HA GLU 20 -17.819 -6.905 -10.296 124 HB2 GLU 20 1HB GLU 20 -18.546 -4.679 -9.846 125 HB3 GLU 20 2HB GLU 20 -19.989 -5.675 -9.974 126 HG2 GLU 20 1HG GLU 20 -19.870 -5.837 -7.422 127 HG3 GLU 20 2HG GLU 20 -18.744 -4.485 -7.526 128 H VAL 21 H VAL 21 -15.789 -6.353 -9.796 129 HA VAL 21 HA VAL 21 -14.820 -6.841 -7.132 130 HB VAL 21 HB VAL 21 -13.337 -5.795 -9.547 131 HG11 VAL 21 1HG1 VAL 21 -12.089 -5.249 -7.607 132 HG12 VAL 21 2HG1 VAL 21 -12.399 -6.827 -6.880 133 HG13 VAL 21 3HG1 VAL 21 -11.347 -6.696 -8.290 134 HG21 VAL 21 3HG2 VAL 21 -14.019 -7.900 -10.214 135 HG22 VAL 21 1HG2 VAL 21 -12.466 -8.247 -9.454 136 HG23 VAL 21 2HG2 VAL 21 -13.965 -8.552 -8.576 137 H ILE 22 H ILE 22 -14.456 -5.399 -5.573 138 HA ILE 22 HA ILE 22 -14.547 -2.538 -6.282 139 HB ILE 22 HB ILE 22 -15.370 -3.718 -3.630 140 HG12 ILE 22 1HG1 ILE 22 -17.202 -2.720 -5.814 141 HG13 ILE 22 2HG1 ILE 22 -16.823 -4.422 -5.580 142 HG21 ILE 22 1HG2 ILE 22 -14.634 -1.393 -3.555 143 HG22 ILE 22 2HG2 ILE 22 -15.783 -0.982 -4.828 144 HG23 ILE 22 3HG2 ILE 22 -16.366 -1.520 -3.253 145 HD11 ILE 22 3HD1 ILE 22 -17.921 -2.790 -3.333 146 HD12 ILE 22 1HD1 ILE 22 -18.985 -3.465 -4.567 147 HD13 ILE 22 2HD1 ILE 22 -17.984 -4.534 -3.584 148 H CYS 23 H CYS 23 -13.247 -1.102 -5.026 149 HA CYS 23 HA CYS 23 -10.674 -2.194 -4.397 150 HB2 CYS 23 1HB CYS 23 -11.038 0.041 -5.476 151 HB3 CYS 23 2HB CYS 23 -11.665 0.625 -3.938 152 HA PRO 24 HA PRO 24 -11.649 -3.007 -0.127 153 HB2 PRO 24 1HB PRO 24 -9.168 -3.865 0.563 154 HB3 PRO 24 2HB PRO 24 -10.314 -4.865 -0.338 155 HG2 PRO 24 1HG PRO 24 -8.004 -3.251 -1.349 156 HG3 PRO 24 2HG PRO 24 -8.513 -4.887 -1.809 157 HD2 PRO 24 1HD PRO 24 -9.085 -2.708 -3.311 158 HD3 PRO 24 2HD PRO 24 -10.165 -4.113 -3.217 159 H ILE 25 H ILE 25 -10.008 -0.474 -1.393 160 HA ILE 25 HA ILE 25 -9.008 0.483 1.201 161 HB ILE 25 HB ILE 25 -8.440 1.519 -1.578 162 HG12 ILE 25 1HG1 ILE 25 -6.559 0.180 0.370 163 HG13 ILE 25 2HG1 ILE 25 -7.403 -0.688 -0.907 164 HG21 ILE 25 1HG2 ILE 25 -6.666 2.846 -0.323 165 HG22 ILE 25 2HG2 ILE 25 -8.336 3.389 -0.162 166 HG23 ILE 25 3HG2 ILE 25 -7.579 2.468 1.137 167 HD11 ILE 25 3HD1 ILE 25 -6.288 0.655 -2.586 168 HD12 ILE 25 1HD1 ILE 25 -5.480 1.587 -1.325 169 HD13 ILE 25 2HD1 ILE 25 -5.112 -0.126 -1.530 170 H CYS 26 H CYS 26 -10.657 1.782 -1.688 171 HA CYS 26 HA CYS 26 -11.931 3.804 0.004 172 HB2 CYS 26 1HB CYS 26 -12.620 4.812 -2.191 173 HB3 CYS 26 2HB CYS 26 -10.879 4.720 -1.946 174 H LEU 27 H LEU 27 -12.589 0.869 -1.631 175 HA LEU 27 HA LEU 27 -14.455 -0.441 -1.685 176 HB2 LEU 27 1HB LEU 27 -15.922 1.718 -0.198 177 HB3 LEU 27 2HB LEU 27 -16.285 -0.006 -0.254 178 HG LEU 27 HG LEU 27 -13.849 1.172 1.078 179 HD11 LEU 27 1HD1 LEU 27 -16.060 0.001 2.656 180 HD12 LEU 27 2HD1 LEU 27 -16.322 1.609 1.979 181 HD13 LEU 27 3HD1 LEU 27 -14.952 1.316 3.050 182 HD21 LEU 27 3HD2 LEU 27 -14.054 -1.158 2.224 183 HD22 LEU 27 1HD2 LEU 27 -13.306 -1.024 0.632 184 HD23 LEU 27 2HD2 LEU 27 -14.974 -1.580 0.779 185 H ASP 28 H ASP 28 -13.896 1.051 -3.879 186 HA ASP 28 HA ASP 28 -16.579 1.779 -4.846 187 HB2 ASP 28 1HB ASP 28 -15.301 3.834 -4.556 188 HB3 ASP 28 2HB ASP 28 -13.974 3.170 -5.505 189 H ILE 29 H ILE 29 -17.114 1.112 -6.898 190 HA ILE 29 HA ILE 29 -16.259 -1.233 -7.908 191 HB ILE 29 HB ILE 29 -17.137 1.128 -9.575 192 HG12 ILE 29 1HG1 ILE 29 -18.816 -1.182 -8.605 193 HG13 ILE 29 2HG1 ILE 29 -18.646 0.306 -7.681 194 HG21 ILE 29 1HG2 ILE 29 -15.991 -0.872 -10.724 195 HG22 ILE 29 2HG2 ILE 29 -17.468 -1.751 -10.331 196 HG23 ILE 29 3HG2 ILE 29 -17.541 -0.316 -11.354 197 HD11 ILE 29 3HD1 ILE 29 -19.316 1.157 -10.228 198 HD12 ILE 29 1HD1 ILE 29 -20.313 -0.273 -9.961 199 HD13 ILE 29 2HD1 ILE 29 -20.379 1.073 -8.823 200 H LEU 30 H LEU 30 -14.179 -1.806 -8.129 201 HA LEU 30 HA LEU 30 -12.079 -0.117 -8.913 202 HB2 LEU 30 1HB LEU 30 -12.456 -3.047 -8.627 203 HB3 LEU 30 2HB LEU 30 -11.062 -2.490 -9.551 204 HG LEU 30 HG LEU 30 -11.602 -1.528 -6.755 205 HD11 LEU 30 1HD1 LEU 30 -10.294 -4.059 -7.673 206 HD12 LEU 30 2HD1 LEU 30 -11.450 -3.812 -6.365 207 HD13 LEU 30 3HD1 LEU 30 -9.785 -3.262 -6.185 208 HD21 LEU 30 3HD2 LEU 30 -10.021 -0.281 -8.214 209 HD22 LEU 30 1HD2 LEU 30 -9.046 -1.746 -8.338 210 HD23 LEU 30 2HD2 LEU 30 -9.270 -0.966 -6.771 211 H GLN 31 H GLN 31 -12.387 0.981 -10.796 212 HA GLN 31 HA GLN 31 -13.302 -0.327 -13.188 213 HB2 GLN 31 1HB GLN 31 -13.849 2.025 -12.737 214 HB3 GLN 31 2HB GLN 31 -12.140 2.436 -12.789 215 HG2 GLN 31 1HG GLN 31 -12.006 2.173 -15.074 216 HG3 GLN 31 2HG GLN 31 -13.420 1.122 -15.140 217 HE21 GLN 31 1HE2 GLN 31 -14.876 2.103 -16.352 218 HE22 GLN 31 2HE2 GLN 31 -15.376 3.750 -16.201 219 H LYS 32 H LYS 32 -10.221 0.769 -11.887 220 HA LYS 32 HA LYS 32 -8.873 -0.586 -14.130 221 HB2 LYS 32 1HB LYS 32 -7.996 1.895 -12.642 222 HB3 LYS 32 2HB LYS 32 -6.998 1.029 -13.804 223 HG2 LYS 32 1HG LYS 32 -7.831 2.570 -15.217 224 HG3 LYS 32 2HG LYS 32 -9.173 1.428 -15.312 225 HD2 LYS 32 1HD LYS 32 -10.508 2.698 -13.869 226 HD3 LYS 32 2HD LYS 32 -9.129 3.614 -13.256 227 HE2 LYS 32 1HE LYS 32 -8.883 4.690 -15.446 228 HE3 LYS 32 2HE LYS 32 -10.270 3.782 -16.045 229 HZ1 LYS 32 3HZ LYS 32 -10.195 6.021 -14.148 230 HZ2 LYS 32 1HZ LYS 32 -11.438 4.881 -14.013 231 HZ3 LYS 32 2HZ LYS 32 -11.240 5.750 -15.451 232 HA PRO 33 HA PRO 33 -7.689 -2.784 -10.266 233 HB2 PRO 33 1HB PRO 33 -7.586 -5.230 -11.440 234 HB3 PRO 33 2HB PRO 33 -9.083 -4.524 -10.820 235 HG2 PRO 33 1HG PRO 33 -8.057 -4.623 -13.631 236 HG3 PRO 33 2HG PRO 33 -9.700 -4.909 -13.029 237 HD2 PRO 33 1HD PRO 33 -8.950 -2.566 -14.159 238 HD3 PRO 33 2HD PRO 33 -10.170 -2.658 -12.873 239 H VAL 34 H VAL 34 -5.620 -2.924 -9.671 240 HA VAL 34 HA VAL 34 -3.596 -3.503 -11.734 241 HB VAL 34 HB VAL 34 -3.291 -1.604 -9.404 242 HG11 VAL 34 1HG1 VAL 34 -1.179 -2.554 -9.760 243 HG12 VAL 34 2HG1 VAL 34 -1.385 -2.570 -11.513 244 HG13 VAL 34 3HG1 VAL 34 -1.143 -1.042 -10.666 245 HG21 VAL 34 3HG2 VAL 34 -4.523 -1.152 -11.846 246 HG22 VAL 34 1HG2 VAL 34 -3.909 0.073 -10.736 247 HG23 VAL 34 2HG2 VAL 34 -2.896 -0.507 -12.057 248 H THR 35 H THR 35 -3.000 -5.543 -11.317 249 HA THR 35 HA THR 35 -2.787 -6.515 -8.593 250 HB THR 35 HB THR 35 -2.079 -7.978 -11.141 251 HG1 THR 35 1HG THR 35 -4.199 -7.656 -11.411 252 HG21 THR 35 3HG2 THR 35 -3.129 -9.484 -8.874 253 HG22 THR 35 1HG2 THR 35 -1.611 -8.664 -8.513 254 HG23 THR 35 2HG2 THR 35 -1.706 -9.787 -9.870 255 H ILE 36 H ILE 36 -1.046 -5.695 -7.558 256 HA ILE 36 HA ILE 36 1.496 -5.369 -8.873 257 HB ILE 36 HB ILE 36 2.321 -4.579 -6.732 258 HG12 ILE 36 1HG1 ILE 36 -0.365 -5.466 -5.659 259 HG13 ILE 36 2HG1 ILE 36 1.201 -6.163 -5.258 260 HG21 ILE 36 1HG2 ILE 36 0.587 -2.762 -6.323 261 HG22 ILE 36 2HG2 ILE 36 1.228 -2.901 -7.960 262 HG23 ILE 36 3HG2 ILE 36 -0.368 -3.547 -7.580 263 HD11 ILE 36 3HD1 ILE 36 0.626 -4.796 -3.446 264 HD12 ILE 36 1HD1 ILE 36 1.823 -3.879 -4.361 265 HD13 ILE 36 2HD1 ILE 36 0.111 -3.477 -4.498 266 H ASP 37 H ASP 37 3.485 -6.196 -7.560 267 HA ASP 37 HA ASP 37 3.755 -8.902 -7.912 268 HB2 ASP 37 1HB ASP 37 5.520 -7.060 -7.349 269 HB3 ASP 37 2HB ASP 37 5.243 -7.557 -5.682 270 H CYS 38 H CYS 38 2.876 -7.209 -4.919 271 HA CYS 38 HA CYS 38 2.840 -9.241 -3.105 272 HB2 CYS 38 1HB CYS 38 1.513 -7.903 -1.790 273 HB3 CYS 38 2HB CYS 38 2.063 -6.713 -2.965 274 H GLY 39 H GLY 39 0.282 -8.480 -5.450 275 HA2 GLY 39 1HA GLY 39 -0.842 -10.343 -6.549 276 HA3 GLY 39 2HA GLY 39 -0.763 -11.208 -5.021 277 H HIS 40 H HIS 40 -1.667 -7.828 -5.390 278 HA HIS 40 HA HIS 40 -4.455 -8.535 -4.783 279 HB2 HIS 40 1HB HIS 40 -2.729 -6.508 -3.364 280 HB3 HIS 40 2HB HIS 40 -4.488 -6.481 -3.278 281 HD2 HIS 40 2HD HIS 40 -4.450 -9.954 -3.025 282 HE1 HIS 40 1HE HIS 40 -2.846 -8.917 0.763 283 HE2 HIS 40 2HE HIS 40 -3.836 -10.756 -0.644 284 H ASN 41 H ASN 41 -6.027 -7.028 -5.481 285 HA ASN 41 HA ASN 41 -5.074 -5.302 -7.657 286 HB2 ASN 41 1HB ASN 41 -7.692 -6.693 -7.136 287 HB3 ASN 41 2HB ASN 41 -7.581 -5.362 -8.285 288 HD21 ASN 41 1HD2 ASN 41 -6.256 -8.529 -7.494 289 HD22 ASN 41 2HD2 ASN 41 -5.861 -8.969 -9.117 290 H PHE 42 H PHE 42 -5.246 -3.158 -7.524 291 HA PHE 42 HA PHE 42 -7.078 -2.010 -5.531 292 HB2 PHE 42 1HB PHE 42 -4.198 -1.234 -6.019 293 HB3 PHE 42 2HB PHE 42 -5.327 -0.265 -5.078 294 HD1 PHE 42 1HD PHE 42 -6.470 -1.450 -3.083 295 HD2 PHE 42 2HD PHE 42 -2.927 -2.855 -4.976 296 HE1 PHE 42 1HE PHE 42 -5.917 -2.755 -1.071 297 HE2 PHE 42 2HE PHE 42 -2.368 -4.162 -2.969 298 HZ PHE 42 HZ PHE 42 -3.864 -4.115 -1.013 299 H CYS 43 H CYS 43 -7.238 0.463 -5.904 300 HA CYS 43 HA CYS 43 -7.700 0.859 -8.777 301 HB2 CYS 43 1HB CYS 43 -9.513 2.174 -8.263 302 HB3 CYS 43 2HB CYS 43 -9.516 1.105 -6.865 303 H LEU 44 H LEU 44 -6.777 2.507 -9.883 304 HA LEU 44 HA LEU 44 -4.370 3.573 -9.233 305 HB2 LEU 44 1HB LEU 44 -5.391 3.739 -11.447 306 HB3 LEU 44 2HB LEU 44 -6.529 4.938 -10.836 307 HG LEU 44 HG LEU 44 -4.488 6.378 -10.325 308 HD11 LEU 44 1HD1 LEU 44 -3.012 4.234 -10.762 309 HD12 LEU 44 2HD1 LEU 44 -2.424 5.853 -11.137 310 HD13 LEU 44 3HD1 LEU 44 -3.063 4.829 -12.422 311 HD21 LEU 44 3HD2 LEU 44 -5.495 7.346 -12.073 312 HD22 LEU 44 1HD2 LEU 44 -5.802 5.803 -12.870 313 HD23 LEU 44 2HD2 LEU 44 -4.231 6.587 -13.043 314 H LYS 45 H LYS 45 -7.426 5.392 -8.918 315 HA LYS 45 HA LYS 45 -6.614 7.671 -7.737 316 HB2 LYS 45 1HB LYS 45 -8.966 6.059 -6.734 317 HB3 LYS 45 2HB LYS 45 -8.753 7.800 -6.602 318 HG2 LYS 45 1HG LYS 45 -8.633 7.705 -9.201 319 HG3 LYS 45 2HG LYS 45 -9.444 6.152 -8.988 320 HD2 LYS 45 1HD LYS 45 -11.229 7.606 -9.214 321 HD3 LYS 45 2HD LYS 45 -11.058 7.503 -7.460 322 HE2 LYS 45 1HE LYS 45 -11.179 9.767 -7.685 323 HE3 LYS 45 2HE LYS 45 -9.439 9.559 -7.871 324 HZ1 LYS 45 3HZ LYS 45 -11.405 10.415 -9.799 325 HZ2 LYS 45 1HZ LYS 45 -10.323 9.258 -10.393 326 HZ3 LYS 45 2HZ LYS 45 -9.740 10.708 -9.747 327 H CYS 46 H CYS 46 -6.671 4.508 -6.246 328 HA CYS 46 HA CYS 46 -5.979 5.576 -3.633 329 HB2 CYS 46 1HB CYS 46 -6.766 2.926 -4.717 330 HB3 CYS 46 2HB CYS 46 -5.719 2.922 -3.302 331 H ILE 47 H ILE 47 -4.536 2.931 -5.532 332 HA ILE 47 HA ILE 47 -2.110 2.701 -4.436 333 HB ILE 47 HB ILE 47 -2.587 2.841 -7.416 334 HG12 ILE 47 1HG1 ILE 47 -2.531 0.439 -5.580 335 HG13 ILE 47 2HG1 ILE 47 -4.006 1.217 -6.143 336 HG21 ILE 47 1HG2 ILE 47 -0.538 1.839 -7.773 337 HG22 ILE 47 2HG2 ILE 47 -0.175 2.954 -6.457 338 HG23 ILE 47 3HG2 ILE 47 -0.423 1.242 -6.118 339 HD11 ILE 47 3HD1 ILE 47 -2.680 0.749 -8.479 340 HD12 ILE 47 1HD1 ILE 47 -2.228 -0.649 -7.503 341 HD13 ILE 47 2HD1 ILE 47 -3.931 -0.284 -7.786 342 H THR 48 H THR 48 -3.114 5.357 -6.515 343 HA THR 48 HA THR 48 -0.520 6.555 -6.672 344 HB THR 48 HB THR 48 -3.199 7.864 -7.172 345 HG1 THR 48 1HG THR 48 -1.509 6.304 -8.843 346 HG21 THR 48 3HG2 THR 48 -0.510 8.543 -8.349 347 HG22 THR 48 1HG2 THR 48 -1.159 9.333 -6.913 348 HG23 THR 48 2HG2 THR 48 -2.005 9.472 -8.455 349 H GLN 49 H GLN 49 -3.441 7.171 -4.755 350 HA GLN 49 HA GLN 49 -2.502 9.453 -3.412 351 HB2 GLN 49 1HB GLN 49 -4.887 8.442 -3.523 352 HB3 GLN 49 2HB GLN 49 -4.377 7.479 -2.144 353 HG2 GLN 49 1HG GLN 49 -4.633 10.462 -2.331 354 HG3 GLN 49 2HG GLN 49 -5.503 9.352 -1.272 355 HE21 GLN 49 1HE2 GLN 49 -3.943 7.996 0.128 356 HE22 GLN 49 2HE2 GLN 49 -2.699 8.894 0.923 357 H ILE 50 H ILE 50 -2.564 6.048 -2.362 358 HA ILE 50 HA ILE 50 -1.505 6.138 0.106 359 HB ILE 50 HB ILE 50 -0.664 4.247 -2.091 360 HG12 ILE 50 1HG1 ILE 50 -2.633 3.824 0.161 361 HG13 ILE 50 2HG1 ILE 50 -3.106 4.364 -1.446 362 HG21 ILE 50 1HG2 ILE 50 0.259 4.516 0.649 363 HG22 ILE 50 2HG2 ILE 50 -0.405 2.918 0.312 364 HG23 ILE 50 3HG2 ILE 50 0.912 3.551 -0.675 365 HD11 ILE 50 3HD1 ILE 50 -2.981 2.309 -2.287 366 HD12 ILE 50 1HD1 ILE 50 -1.453 1.968 -1.476 367 HD13 ILE 50 2HD1 ILE 50 -2.976 1.770 -0.607 368 H GLY 51 H GLY 51 0.381 6.423 -2.892 369 HA2 GLY 51 1HA GLY 51 2.582 7.538 -1.265 370 HA3 GLY 51 2HA GLY 51 2.882 6.443 -2.607 371 H GLU 52 H GLU 52 1.316 9.552 -1.870 372 HA GLU 52 HA GLU 52 0.986 10.582 -4.373 373 HB2 GLU 52 1HB GLU 52 1.280 12.816 -3.386 374 HB3 GLU 52 2HB GLU 52 0.299 11.774 -2.364 375 HG2 GLU 52 1HG GLU 52 1.655 12.714 -0.799 376 HG3 GLU 52 2HG GLU 52 2.597 11.280 -1.203 377 H THR 53 H THR 53 3.977 10.611 -2.466 378 HA THR 53 HA THR 53 5.652 12.127 -3.958 379 HB THR 53 HB THR 53 6.376 9.416 -2.829 380 HG1 THR 53 1HG THR 53 5.432 11.371 -1.510 381 HG21 THR 53 3HG2 THR 53 8.345 11.599 -2.846 382 HG22 THR 53 1HG2 THR 53 7.923 10.967 -4.437 383 HG23 THR 53 2HG2 THR 53 8.552 9.883 -3.196 384 H SER 54 H SER 54 4.522 8.888 -4.748 385 HA SER 54 HA SER 54 4.629 7.644 -6.650 386 HB2 SER 54 1HB SER 54 3.615 9.707 -7.617 387 HB3 SER 54 2HB SER 54 5.236 10.280 -8.010 388 HG SER 54 HG SER 54 5.395 8.160 -9.170 389 H CYS 55 H CYS 55 6.923 7.632 -5.128 390 HA CYS 55 HA CYS 55 9.220 8.081 -6.816 391 HB2 CYS 55 1HB CYS 55 9.296 8.401 -4.348 392 HB3 CYS 55 2HB CYS 55 9.058 6.670 -4.146 393 HG CYS 55 HG CYS 55 11.491 5.881 -4.758 394 H GLY 56 H GLY 56 7.695 5.217 -5.332 395 HA2 GLY 56 1HA GLY 56 7.637 3.536 -7.457 396 HA3 GLY 56 2HA GLY 56 9.306 3.422 -6.918 397 H PHE 57 H PHE 57 9.696 2.724 -4.707 398 HA PHE 57 HA PHE 57 8.261 0.413 -4.046 399 HB2 PHE 57 1HB PHE 57 10.021 2.039 -2.200 400 HB3 PHE 57 2HB PHE 57 9.611 0.335 -2.032 401 HD1 PHE 57 2HD PHE 57 11.631 2.780 -3.844 402 HD2 PHE 57 1HD PHE 57 10.653 -1.341 -3.423 403 HE1 PHE 57 2HE PHE 57 13.616 2.177 -5.166 404 HE2 PHE 57 1HE PHE 57 12.638 -1.950 -4.744 405 HZ PHE 57 HZ PHE 57 14.122 -0.190 -5.619 406 H PHE 58 H PHE 58 6.487 0.052 -2.872 407 HA PHE 58 HA PHE 58 5.614 1.886 -0.827 408 HB2 PHE 58 1HB PHE 58 3.564 2.565 -1.784 409 HB3 PHE 58 2HB PHE 58 4.759 2.808 -3.054 410 HD1 PHE 58 1HD PHE 58 5.092 0.648 -4.599 411 HD2 PHE 58 2HD PHE 58 1.582 1.594 -2.384 412 HE1 PHE 58 1HE PHE 58 3.758 -0.749 -6.122 413 HE2 PHE 58 2HE PHE 58 0.243 0.198 -3.903 414 HZ PHE 58 HZ PHE 58 1.330 -0.977 -5.775 415 H LYS 59 H LYS 59 5.214 0.502 0.763 416 HA LYS 59 HA LYS 59 4.648 -2.210 0.497 417 HB2 LYS 59 1HB LYS 59 4.072 -2.176 2.855 418 HB3 LYS 59 2HB LYS 59 5.476 -1.156 2.571 419 HG2 LYS 59 1HG LYS 59 3.896 0.805 2.517 420 HG3 LYS 59 2HG LYS 59 2.646 -0.296 3.099 421 HD2 LYS 59 1HD LYS 59 5.234 -0.210 4.563 422 HD3 LYS 59 2HD LYS 59 4.121 1.146 4.761 423 HE2 LYS 59 1HE LYS 59 3.456 -0.256 6.466 424 HE3 LYS 59 2HE LYS 59 2.354 -0.723 5.172 425 HZ1 LYS 59 3HZ LYS 59 3.273 -2.746 5.007 426 HZ2 LYS 59 1HZ LYS 59 3.838 -2.447 6.574 427 HZ3 LYS 59 2HZ LYS 59 4.851 -2.185 5.245 428 H CYS 60 H CYS 60 2.823 -3.401 0.311 429 HA CYS 60 HA CYS 60 0.463 -2.129 -0.653 430 HB2 CYS 60 1HB CYS 60 1.004 -4.271 -1.554 431 HB3 CYS 60 2HB CYS 60 1.107 -4.993 0.049 432 HA PRO 61 HA PRO 61 -1.631 -1.424 3.163 433 HB2 PRO 61 1HB PRO 61 -4.152 -1.176 2.185 434 HB3 PRO 61 2HB PRO 61 -2.920 0.077 1.995 435 HG2 PRO 61 1HG PRO 61 -3.816 -2.009 0.045 436 HG3 PRO 61 2HG PRO 61 -3.469 -0.293 -0.234 437 HD2 PRO 61 1HD PRO 61 -1.707 -2.254 -0.850 438 HD3 PRO 61 2HD PRO 61 -1.192 -0.638 -0.324 439 H LEU 62 H LEU 62 -3.070 -3.764 0.900 440 HA LEU 62 HA LEU 62 -4.660 -5.094 2.815 441 HB2 LEU 62 1HB LEU 62 -3.646 -5.765 0.087 442 HB3 LEU 62 2HB LEU 62 -4.438 -7.008 1.053 443 HG LEU 62 HG LEU 62 -5.706 -4.376 0.303 444 HD11 LEU 62 1HD1 LEU 62 -5.863 -5.265 -1.741 445 HD12 LEU 62 2HD1 LEU 62 -7.070 -6.334 -1.027 446 HD13 LEU 62 3HD1 LEU 62 -5.398 -6.872 -1.182 447 HD21 LEU 62 3HD2 LEU 62 -7.722 -6.075 0.843 448 HD22 LEU 62 1HD2 LEU 62 -7.001 -5.000 2.042 449 HD23 LEU 62 2HD2 LEU 62 -6.497 -6.688 1.955 450 H CYS 63 H CYS 63 -1.367 -5.612 1.665 451 HA CYS 63 HA CYS 63 -0.892 -7.344 3.977 452 HB2 CYS 63 1HB CYS 63 0.327 -8.974 2.633 453 HB3 CYS 63 2HB CYS 63 -1.335 -8.839 2.067 454 H LYS 64 H LYS 64 1.199 -7.284 4.783 455 HA LYS 64 HA LYS 64 2.709 -4.932 4.079 456 HB2 LYS 64 1HB LYS 64 3.081 -7.075 6.170 457 HB3 LYS 64 2HB LYS 64 4.230 -5.762 5.941 458 HG2 LYS 64 1HG LYS 64 2.626 -4.132 6.562 459 HG3 LYS 64 2HG LYS 64 1.312 -5.309 6.504 460 HD2 LYS 64 1HD LYS 64 2.043 -6.387 8.455 461 HD3 LYS 64 2HD LYS 64 3.639 -5.637 8.374 462 HE2 LYS 64 1HE LYS 64 2.625 -3.455 8.847 463 HE3 LYS 64 2HE LYS 64 1.038 -4.216 8.941 464 HZ1 LYS 64 3HZ LYS 64 3.044 -4.018 10.935 465 HZ2 LYS 64 1HZ LYS 64 2.655 -5.641 10.657 466 HZ3 LYS 64 2HZ LYS 64 1.442 -4.541 11.081 467 H THR 65 H THR 65 3.147 -5.741 1.861 468 HA THR 65 HA THR 65 5.542 -7.461 1.843 469 HB THR 65 HB THR 65 3.518 -7.236 -0.391 470 HG1 THR 65 1HG THR 65 3.772 -9.010 1.774 471 HG21 THR 65 3HG2 THR 65 5.790 -7.767 -1.137 472 HG22 THR 65 1HG2 THR 65 4.716 -9.151 -1.336 473 HG23 THR 65 2HG2 THR 65 5.856 -9.106 0.008 474 H SER 66 H SER 66 7.279 -6.801 0.645 475 HA SER 66 HA SER 66 7.319 -4.010 -0.113 476 HB2 SER 66 1HB SER 66 9.468 -6.138 -0.074 477 HB3 SER 66 2HB SER 66 9.754 -4.467 -0.560 478 HG SER 66 HG SER 66 8.513 -4.971 1.901 479 H VAL 67 H VAL 67 7.060 -3.243 -2.101 480 HA VAL 67 HA VAL 67 7.687 -4.923 -4.409 481 HB VAL 67 HB VAL 67 5.288 -5.281 -3.979 482 HG11 VAL 67 1HG1 VAL 67 4.425 -3.419 -2.947 483 HG12 VAL 67 2HG1 VAL 67 5.264 -2.299 -4.022 484 HG13 VAL 67 3HG1 VAL 67 3.847 -3.180 -4.596 485 HG21 VAL 67 3HG2 VAL 67 6.501 -4.714 -6.365 486 HG22 VAL 67 1HG2 VAL 67 4.877 -5.375 -6.179 487 HG23 VAL 67 2HG2 VAL 67 5.103 -3.639 -6.392 488 H ARG 68 H ARG 68 8.216 -3.784 -6.271 489 HA ARG 68 HA ARG 68 8.399 -0.859 -5.960 490 HB2 ARG 68 1HB ARG 68 10.588 -2.128 -5.809 491 HB3 ARG 68 2HB ARG 68 10.354 -2.569 -7.496 492 HG2 ARG 68 1HG ARG 68 10.220 -0.101 -7.997 493 HG3 ARG 68 2HG ARG 68 10.772 0.173 -6.344 494 HD2 ARG 68 1HD ARG 68 12.703 0.240 -7.707 495 HD3 ARG 68 2HD ARG 68 12.734 -1.318 -6.881 496 HE ARG 68 HE ARG 68 11.464 -1.557 -9.398 497 HH11 ARG 68 2HH1 ARG 68 14.599 -1.173 -7.934 498 HH12 ARG 68 1HH1 ARG 68 15.444 -1.951 -9.232 499 HH21 ARG 68 2HH2 ARG 68 12.565 -2.583 -11.112 500 HH22 ARG 68 1HH2 ARG 68 14.286 -2.751 -11.039 501 H LYS 69 H LYS 69 6.163 -1.969 -7.098 502 HA LYS 69 HA LYS 69 4.902 -2.120 -9.006 503 HB2 LYS 69 1HB LYS 69 6.579 0.338 -9.524 504 HB3 LYS 69 2HB LYS 69 5.185 -0.111 -10.499 505 HG2 LYS 69 1HG LYS 69 3.811 -0.034 -8.407 506 HG3 LYS 69 2HG LYS 69 5.219 0.647 -7.589 507 HD2 LYS 69 1HD LYS 69 5.234 2.476 -9.283 508 HD3 LYS 69 2HD LYS 69 3.726 1.827 -9.930 509 HE2 LYS 69 1HE LYS 69 3.037 3.525 -8.484 510 HE3 LYS 69 2HE LYS 69 2.829 2.051 -7.540 511 HZ1 LYS 69 3HZ LYS 69 3.992 3.164 -6.006 512 HZ2 LYS 69 1HZ LYS 69 4.622 4.273 -7.117 513 HZ3 LYS 69 2HZ LYS 69 5.348 2.757 -6.932 514 H ASN 70 H ASN 70 6.973 -3.918 -9.157 515 HA ASN 70 HA ASN 70 8.358 -3.629 -11.670 516 HB2 ASN 70 1HB ASN 70 9.156 -5.954 -11.180 517 HB3 ASN 70 2HB ASN 70 9.508 -4.792 -9.904 518 HD21 ASN 70 1HD2 ASN 70 9.712 -7.160 -9.009 519 HD22 ASN 70 2HD2 ASN 70 8.323 -7.705 -8.137 520 H ALA 71 H ALA 71 5.668 -3.398 -12.132 521 HA ALA 71 HA ALA 71 5.044 -5.918 -13.529 522 HB1 ALA 71 3HB ALA 71 2.885 -4.037 -12.675 523 HB2 ALA 71 1HB ALA 71 2.802 -5.769 -13.001 524 HB3 ALA 71 2HB ALA 71 3.564 -5.185 -11.521 525 H ILE 72 H ILE 72 6.200 -5.040 -15.352 526 HA ILE 72 HA ILE 72 4.934 -2.752 -16.673 527 HB ILE 72 HB ILE 72 7.389 -2.727 -16.482 528 HG12 ILE 72 1HG1 ILE 72 6.636 -3.117 -19.376 529 HG13 ILE 72 2HG1 ILE 72 6.090 -1.726 -18.446 530 HG21 ILE 72 1HG2 ILE 72 8.673 -4.486 -16.937 531 HG22 ILE 72 2HG2 ILE 72 7.190 -5.423 -17.116 532 HG23 ILE 72 3HG2 ILE 72 7.945 -4.689 -18.531 533 HD11 ILE 72 3HD1 ILE 72 8.517 -1.254 -17.965 534 HD12 ILE 72 1HD1 ILE 72 8.901 -2.476 -19.176 535 HD13 ILE 72 2HD1 ILE 72 7.997 -1.033 -19.635 536 H ARG 73 H ARG 73 3.846 -2.908 -18.566 537 HA ARG 73 HA ARG 73 3.289 -5.616 -19.538 538 HB2 ARG 73 1HB ARG 73 1.830 -3.005 -19.971 539 HB3 ARG 73 2HB ARG 73 1.360 -4.536 -20.697 540 HG2 ARG 73 1HG ARG 73 1.638 -4.313 -17.733 541 HG3 ARG 73 2HG ARG 73 0.185 -3.720 -18.539 542 HD2 ARG 73 1HD ARG 73 -0.422 -5.885 -18.058 543 HD3 ARG 73 2HD ARG 73 0.219 -6.063 -19.691 544 HE ARG 73 HE ARG 73 1.944 -7.316 -18.845 545 HH11 ARG 73 2HH1 ARG 73 0.314 -5.684 -16.237 546 HH12 ARG 73 1HH1 ARG 73 1.163 -6.544 -14.996 547 HH21 ARG 73 2HH2 ARG 73 3.068 -8.455 -17.220 548 HH22 ARG 73 1HH2 ARG 73 2.730 -8.119 -15.556 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -67.630 -15.790 -16.142 2 HA2 GLY 1 1HA GLY 1 -66.687 -17.369 -14.142 3 HA3 GLY 1 2HA GLY 1 -66.301 -18.288 -15.589 4 H SER 2 H SER 2 -65.077 -16.158 -13.427 5 HA SER 2 HA SER 2 -62.725 -15.681 -14.927 6 HB2 SER 2 1HB SER 2 -62.912 -13.164 -14.965 7 HB3 SER 2 2HB SER 2 -63.970 -14.000 -16.101 8 HG SER 2 HG SER 2 -65.614 -13.806 -14.404 9 H SER 3 H SER 3 -61.044 -15.043 -13.632 10 HA SER 3 HA SER 3 -61.318 -13.717 -11.157 11 HB2 SER 3 1HB SER 3 -60.719 -15.636 -9.664 12 HB3 SER 3 2HB SER 3 -62.335 -15.759 -10.359 13 HG SER 3 HG SER 3 -61.548 -17.248 -11.843 14 H GLY 4 H GLY 4 -59.295 -13.419 -10.072 15 HA2 GLY 4 1HA GLY 4 -56.893 -14.234 -10.075 16 HA3 GLY 4 2HA GLY 4 -56.996 -14.036 -11.818 17 H SER 5 H SER 5 -55.364 -12.735 -9.599 18 HA SER 5 HA SER 5 -55.226 -10.158 -10.756 19 HB2 SER 5 1HB SER 5 -57.225 -9.646 -9.528 20 HB3 SER 5 2HB SER 5 -56.574 -10.369 -8.057 21 HG SER 5 HG SER 5 -55.095 -8.698 -7.920 22 H SER 6 H SER 6 -53.124 -9.777 -10.681 23 HA SER 6 HA SER 6 -51.670 -9.785 -8.215 24 HB2 SER 6 1HB SER 6 -51.338 -12.031 -10.161 25 HB3 SER 6 2HB SER 6 -49.911 -11.422 -9.323 26 HG SER 6 HG SER 6 -51.223 -11.719 -7.350 27 H GLY 7 H GLY 7 -49.326 -9.213 -8.593 28 HA2 GLY 7 1HA GLY 7 -48.303 -8.339 -11.024 29 HA3 GLY 7 2HA GLY 7 -49.192 -6.984 -10.344 30 H MET 8 H MET 8 -46.400 -9.037 -10.037 31 HA MET 8 HA MET 8 -45.334 -7.191 -8.002 32 HB2 MET 8 1HB MET 8 -44.903 -10.165 -8.284 33 HB3 MET 8 2HB MET 8 -43.915 -9.140 -7.251 34 HG2 MET 8 1HG MET 8 -46.894 -9.241 -6.966 35 HG3 MET 8 2HG MET 8 -45.847 -10.426 -6.188 36 HE1 MET 8 3HE MET 8 -43.447 -8.178 -4.239 37 HE2 MET 8 1HE MET 8 -44.404 -9.504 -3.579 38 HE3 MET 8 2HE MET 8 -43.682 -9.651 -5.181 39 H ALA 9 H ALA 9 -43.356 -6.322 -8.360 40 HA ALA 9 HA ALA 9 -41.501 -7.425 -10.249 41 HB1 ALA 9 3HB ALA 9 -42.034 -4.741 -11.173 42 HB2 ALA 9 1HB ALA 9 -41.949 -6.251 -12.083 43 HB3 ALA 9 2HB ALA 9 -43.462 -5.766 -11.317 44 H SER 10 H SER 10 -39.513 -6.929 -9.592 45 HA SER 10 HA SER 10 -38.943 -4.349 -8.385 46 HB2 SER 10 1HB SER 10 -37.911 -5.348 -6.373 47 HB3 SER 10 2HB SER 10 -39.641 -5.680 -6.452 48 HG SER 10 HG SER 10 -37.636 -7.417 -6.297 49 H GLY 11 H GLY 11 -36.596 -4.046 -8.008 50 HA2 GLY 11 1HA GLY 11 -34.354 -5.049 -8.389 51 HA3 GLY 11 2HA GLY 11 -35.018 -5.703 -9.879 52 H GLN 12 H GLN 12 -33.181 -3.268 -8.596 53 HA GLN 12 HA GLN 12 -33.893 -0.983 -10.007 54 HB2 GLN 12 1HB GLN 12 -32.137 -1.189 -8.201 55 HB3 GLN 12 2HB GLN 12 -31.055 -1.831 -9.429 56 HG2 GLN 12 1HG GLN 12 -31.005 0.201 -10.603 57 HG3 GLN 12 2HG GLN 12 -32.395 0.835 -9.723 58 HE21 GLN 12 1HE2 GLN 12 -31.830 2.396 -8.406 59 HE22 GLN 12 2HE2 GLN 12 -30.385 2.468 -7.461 60 H PHE 13 H PHE 13 -31.726 -3.626 -10.971 61 HA PHE 13 HA PHE 13 -31.928 -2.654 -13.746 62 HB2 PHE 13 1HB PHE 13 -29.627 -2.615 -12.492 63 HB3 PHE 13 2HB PHE 13 -29.632 -4.344 -12.823 64 HD1 PHE 13 2HD PHE 13 -30.580 -1.309 -14.781 65 HD2 PHE 13 1HD PHE 13 -28.264 -4.874 -14.577 66 HE1 PHE 13 2HE PHE 13 -29.717 -0.873 -17.043 67 HE2 PHE 13 1HE PHE 13 -27.396 -4.444 -16.839 68 HZ PHE 13 HZ PHE 13 -28.124 -2.442 -18.075 69 H VAL 14 H VAL 14 -31.731 -4.355 -15.403 70 HA VAL 14 HA VAL 14 -33.408 -6.600 -14.720 71 HB VAL 14 HB VAL 14 -33.568 -5.283 -16.881 72 HG11 VAL 14 1HG1 VAL 14 -30.902 -5.768 -17.090 73 HG12 VAL 14 2HG1 VAL 14 -31.566 -7.012 -18.151 74 HG13 VAL 14 3HG1 VAL 14 -31.947 -5.313 -18.436 75 HG21 VAL 14 3HG2 VAL 14 -34.100 -7.283 -18.224 76 HG22 VAL 14 1HG2 VAL 14 -33.284 -8.283 -17.021 77 HG23 VAL 14 2HG2 VAL 14 -34.737 -7.383 -16.582 78 H ASN 15 H ASN 15 -31.096 -6.847 -13.297 79 HA ASN 15 HA ASN 15 -29.917 -9.239 -14.512 80 HB2 ASN 15 1HB ASN 15 -28.465 -6.803 -13.564 81 HB3 ASN 15 2HB ASN 15 -27.712 -8.379 -13.337 82 HD21 ASN 15 1HD2 ASN 15 -27.232 -9.645 -15.179 83 HD22 ASN 15 2HD2 ASN 15 -27.024 -8.909 -16.729 84 H LYS 16 H LYS 16 -29.017 -10.731 -12.989 85 HA LYS 16 HA LYS 16 -30.035 -10.349 -10.249 86 HB2 LYS 16 1HB LYS 16 -31.019 -12.182 -11.884 87 HB3 LYS 16 2HB LYS 16 -29.595 -13.081 -11.374 88 HG2 LYS 16 1HG LYS 16 -30.338 -13.312 -9.225 89 HG3 LYS 16 2HG LYS 16 -31.317 -11.844 -9.288 90 HD2 LYS 16 1HD LYS 16 -32.879 -13.590 -9.279 91 HD3 LYS 16 2HD LYS 16 -32.771 -13.107 -10.974 92 HE2 LYS 16 1HE LYS 16 -32.727 -15.470 -10.958 93 HE3 LYS 16 2HE LYS 16 -31.070 -14.952 -11.259 94 HZ1 LYS 16 3HZ LYS 16 -30.808 -15.179 -8.736 95 HZ2 LYS 16 1HZ LYS 16 -30.851 -16.594 -9.662 96 HZ3 LYS 16 2HZ LYS 16 -32.222 -16.105 -8.801 97 H LEU 17 H LEU 17 -27.438 -9.551 -11.174 98 HA LEU 17 HA LEU 17 -25.835 -11.067 -9.282 99 HB2 LEU 17 1HB LEU 17 -25.331 -12.277 -11.256 100 HB3 LEU 17 2HB LEU 17 -25.168 -10.798 -12.201 101 HG LEU 17 HG LEU 17 -23.165 -10.316 -10.612 102 HD11 LEU 17 1HD1 LEU 17 -22.506 -11.900 -9.205 103 HD12 LEU 17 2HD1 LEU 17 -22.544 -13.125 -10.472 104 HD13 LEU 17 3HD1 LEU 17 -24.007 -12.757 -9.558 105 HD21 LEU 17 3HD2 LEU 17 -21.970 -12.253 -12.168 106 HD22 LEU 17 1HD2 LEU 17 -22.283 -10.583 -12.642 107 HD23 LEU 17 2HD2 LEU 17 -23.435 -11.851 -13.065 108 H GLN 18 H GLN 18 -24.986 -9.592 -7.984 109 HA GLN 18 HA GLN 18 -23.991 -7.085 -9.162 110 HB2 GLN 18 1HB GLN 18 -24.710 -5.893 -7.136 111 HB3 GLN 18 2HB GLN 18 -26.071 -6.617 -7.982 112 HG2 GLN 18 1HG GLN 18 -26.254 -8.355 -6.380 113 HG3 GLN 18 2HG GLN 18 -24.719 -7.913 -5.633 114 HE21 GLN 18 1HE2 GLN 18 -25.129 -7.163 -3.683 115 HE22 GLN 18 2HE2 GLN 18 -26.349 -6.010 -3.272 116 H GLU 19 H GLU 19 -22.462 -9.417 -8.701 117 HA GLU 19 HA GLU 19 -20.972 -8.942 -6.247 118 HB2 GLU 19 1HB GLU 19 -20.885 -11.070 -8.369 119 HB3 GLU 19 2HB GLU 19 -19.595 -10.917 -7.185 120 HG2 GLU 19 1HG GLU 19 -22.494 -11.514 -6.673 121 HG3 GLU 19 2HG GLU 19 -21.108 -12.569 -6.402 122 H GLU 20 H GLU 20 -20.935 -6.901 -8.292 123 HA GLU 20 HA GLU 20 -18.691 -6.911 -9.923 124 HB2 GLU 20 1HB GLU 20 -19.961 -4.583 -8.472 125 HB3 GLU 20 2HB GLU 20 -18.795 -4.431 -9.780 126 HG2 GLU 20 1HG GLU 20 -21.271 -6.019 -10.233 127 HG3 GLU 20 2HG GLU 20 -21.364 -4.259 -10.234 128 H VAL 21 H VAL 21 -16.571 -6.213 -9.685 129 HA VAL 21 HA VAL 21 -15.365 -6.746 -7.166 130 HB VAL 21 HB VAL 21 -14.203 -5.542 -9.680 131 HG11 VAL 21 1HG1 VAL 21 -12.172 -6.725 -8.176 132 HG12 VAL 21 2HG1 VAL 21 -12.421 -5.002 -8.465 133 HG13 VAL 21 3HG1 VAL 21 -13.102 -5.764 -7.027 134 HG21 VAL 21 3HG2 VAL 21 -14.700 -8.280 -8.734 135 HG22 VAL 21 1HG2 VAL 21 -14.523 -7.658 -10.375 136 HG23 VAL 21 2HG2 VAL 21 -13.093 -7.998 -9.401 137 H ILE 22 H ILE 22 -14.938 -5.423 -5.524 138 HA ILE 22 HA ILE 22 -15.065 -2.516 -6.003 139 HB ILE 22 HB ILE 22 -15.832 -3.849 -3.412 140 HG12 ILE 22 1HG1 ILE 22 -17.662 -2.905 -5.629 141 HG13 ILE 22 2HG1 ILE 22 -17.347 -4.588 -5.220 142 HG21 ILE 22 1HG2 ILE 22 -16.650 -1.755 -2.753 143 HG22 ILE 22 2HG2 ILE 22 -15.109 -1.404 -3.535 144 HG23 ILE 22 3HG2 ILE 22 -16.620 -1.128 -4.401 145 HD11 ILE 22 3HD1 ILE 22 -19.475 -3.321 -4.339 146 HD12 ILE 22 1HD1 ILE 22 -18.637 -4.516 -3.349 147 HD13 ILE 22 2HD1 ILE 22 -18.354 -2.796 -3.083 148 H CYS 23 H CYS 23 -13.672 -1.195 -4.780 149 HA CYS 23 HA CYS 23 -11.139 -2.397 -4.193 150 HB2 CYS 23 1HB CYS 23 -11.368 -0.149 -5.227 151 HB3 CYS 23 2HB CYS 23 -12.053 0.447 -3.720 152 HA PRO 24 HA PRO 24 -12.080 -3.258 0.070 153 HB2 PRO 24 1HB PRO 24 -9.604 -4.155 0.731 154 HB3 PRO 24 2HB PRO 24 -10.765 -5.126 -0.181 155 HG2 PRO 24 1HG PRO 24 -8.444 -3.519 -1.176 156 HG3 PRO 24 2HG PRO 24 -8.972 -5.140 -1.662 157 HD2 PRO 24 1HD PRO 24 -9.529 -2.928 -3.121 158 HD3 PRO 24 2HD PRO 24 -10.624 -4.323 -3.047 159 H ILE 25 H ILE 25 -10.419 -0.720 -1.158 160 HA ILE 25 HA ILE 25 -9.384 0.176 1.443 161 HB ILE 25 HB ILE 25 -8.862 1.312 -1.307 162 HG12 ILE 25 1HG1 ILE 25 -7.130 -0.360 0.527 163 HG13 ILE 25 2HG1 ILE 25 -7.810 -0.868 -1.015 164 HG21 ILE 25 1HG2 ILE 25 -7.649 2.016 1.363 165 HG22 ILE 25 2HG2 ILE 25 -7.158 2.671 -0.198 166 HG23 ILE 25 3HG2 ILE 25 -8.768 3.014 0.435 167 HD11 ILE 25 3HD1 ILE 25 -5.601 1.078 -0.487 168 HD12 ILE 25 1HD1 ILE 25 -5.594 -0.367 -1.497 169 HD13 ILE 25 2HD1 ILE 25 -6.475 1.069 -2.018 170 H CYS 26 H CYS 26 -10.996 1.621 -1.397 171 HA CYS 26 HA CYS 26 -12.251 3.591 0.357 172 HB2 CYS 26 1HB CYS 26 -13.008 4.592 -1.853 173 HB3 CYS 26 2HB CYS 26 -11.271 4.584 -1.562 174 H LEU 27 H LEU 27 -12.955 0.635 -1.129 175 HA LEU 27 HA LEU 27 -14.839 -0.637 -1.215 176 HB2 LEU 27 1HB LEU 27 -16.263 1.526 0.307 177 HB3 LEU 27 2HB LEU 27 -16.628 -0.198 0.262 178 HG LEU 27 HG LEU 27 -14.063 0.813 1.447 179 HD11 LEU 27 1HD1 LEU 27 -16.296 0.217 3.273 180 HD12 LEU 27 2HD1 LEU 27 -16.410 1.737 2.386 181 HD13 LEU 27 3HD1 LEU 27 -15.005 1.413 3.402 182 HD21 LEU 27 3HD2 LEU 27 -15.623 -1.717 1.423 183 HD22 LEU 27 1HD2 LEU 27 -14.696 -1.322 2.871 184 HD23 LEU 27 2HD2 LEU 27 -13.882 -1.458 1.312 185 H ASP 28 H ASP 28 -14.287 0.983 -3.379 186 HA ASP 28 HA ASP 28 -16.990 1.729 -4.286 187 HB2 ASP 28 1HB ASP 28 -15.648 3.740 -4.065 188 HB3 ASP 28 2HB ASP 28 -14.353 3.017 -5.016 189 H ILE 29 H ILE 29 -17.635 1.030 -6.285 190 HA ILE 29 HA ILE 29 -16.814 -1.345 -7.303 191 HB ILE 29 HB ILE 29 -17.885 0.957 -8.940 192 HG12 ILE 29 1HG1 ILE 29 -19.577 -1.306 -7.995 193 HG13 ILE 29 2HG1 ILE 29 -19.122 -0.079 -6.817 194 HG21 ILE 29 1HG2 ILE 29 -18.444 -0.562 -10.621 195 HG22 ILE 29 2HG2 ILE 29 -16.819 -1.046 -10.139 196 HG23 ILE 29 3HG2 ILE 29 -18.217 -1.956 -9.566 197 HD11 ILE 29 3HD1 ILE 29 -21.216 0.556 -7.682 198 HD12 ILE 29 1HD1 ILE 29 -20.031 1.629 -8.426 199 HD13 ILE 29 2HD1 ILE 29 -20.698 0.279 -9.344 200 H LEU 30 H LEU 30 -14.795 -1.922 -7.793 201 HA LEU 30 HA LEU 30 -12.779 -0.191 -8.709 202 HB2 LEU 30 1HB LEU 30 -13.111 -3.126 -8.450 203 HB3 LEU 30 2HB LEU 30 -11.820 -2.547 -9.501 204 HG LEU 30 HG LEU 30 -12.023 -1.511 -6.705 205 HD11 LEU 30 1HD1 LEU 30 -12.175 -3.904 -6.419 206 HD12 LEU 30 2HD1 LEU 30 -10.564 -3.353 -5.964 207 HD13 LEU 30 3HD1 LEU 30 -10.816 -4.151 -7.515 208 HD21 LEU 30 3HD2 LEU 30 -10.446 -0.515 -8.314 209 HD22 LEU 30 1HD2 LEU 30 -9.685 -2.093 -8.519 210 HD23 LEU 30 2HD2 LEU 30 -9.627 -1.282 -6.953 211 H GLN 31 H GLN 31 -12.881 0.868 -10.581 212 HA GLN 31 HA GLN 31 -14.160 -0.322 -12.897 213 HB2 GLN 31 1HB GLN 31 -14.267 2.167 -12.097 214 HB3 GLN 31 2HB GLN 31 -12.735 2.312 -12.948 215 HG2 GLN 31 1HG GLN 31 -14.681 2.980 -14.305 216 HG3 GLN 31 2HG GLN 31 -13.751 1.661 -15.016 217 HE21 GLN 31 1HE2 GLN 31 -16.765 2.642 -13.688 218 HE22 GLN 31 2HE2 GLN 31 -17.629 1.179 -13.999 219 H LYS 32 H LYS 32 -10.941 0.827 -11.959 220 HA LYS 32 HA LYS 32 -9.829 -0.741 -14.192 221 HB2 LYS 32 1HB LYS 32 -8.004 0.914 -14.341 222 HB3 LYS 32 2HB LYS 32 -9.576 1.622 -14.687 223 HG2 LYS 32 1HG LYS 32 -9.565 2.297 -12.195 224 HG3 LYS 32 2HG LYS 32 -7.829 1.991 -12.290 225 HD2 LYS 32 1HD LYS 32 -7.967 4.252 -12.782 226 HD3 LYS 32 2HD LYS 32 -7.929 3.516 -14.386 227 HE2 LYS 32 1HE LYS 32 -9.637 5.187 -14.382 228 HE3 LYS 32 2HE LYS 32 -10.422 3.609 -14.406 229 HZ1 LYS 32 3HZ LYS 32 -10.003 5.224 -11.952 230 HZ2 LYS 32 1HZ LYS 32 -10.893 3.791 -12.084 231 HZ3 LYS 32 2HZ LYS 32 -11.442 5.201 -12.841 232 HA PRO 33 HA PRO 33 -8.131 -2.507 -10.313 233 HB2 PRO 33 1HB PRO 33 -7.986 -5.037 -11.286 234 HB3 PRO 33 2HB PRO 33 -9.462 -4.359 -10.589 235 HG2 PRO 33 1HG PRO 33 -8.686 -4.650 -13.465 236 HG3 PRO 33 2HG PRO 33 -10.249 -4.968 -12.690 237 HD2 PRO 33 1HD PRO 33 -9.745 -2.697 -14.075 238 HD3 PRO 33 2HD PRO 33 -10.838 -2.740 -12.676 239 H VAL 34 H VAL 34 -6.020 -2.893 -9.840 240 HA VAL 34 HA VAL 34 -4.158 -3.394 -12.057 241 HB VAL 34 HB VAL 34 -3.754 -1.312 -9.905 242 HG11 VAL 34 1HG1 VAL 34 -1.620 -2.123 -10.262 243 HG12 VAL 34 2HG1 VAL 34 -1.932 -2.494 -11.959 244 HG13 VAL 34 3HG1 VAL 34 -1.718 -0.820 -11.446 245 HG21 VAL 34 3HG2 VAL 34 -3.541 -0.435 -12.658 246 HG22 VAL 34 1HG2 VAL 34 -5.133 -1.106 -12.301 247 HG23 VAL 34 2HG2 VAL 34 -4.500 0.228 -11.335 248 H THR 35 H THR 35 -3.042 -5.171 -11.638 249 HA THR 35 HA THR 35 -2.811 -6.147 -8.909 250 HB THR 35 HB THR 35 -1.842 -7.446 -11.462 251 HG1 THR 35 1HG THR 35 -3.931 -7.675 -11.769 252 HG21 THR 35 3HG2 THR 35 -2.074 -8.343 -8.613 253 HG22 THR 35 1HG2 THR 35 -0.728 -8.535 -9.735 254 HG23 THR 35 2HG2 THR 35 -2.184 -9.512 -9.928 255 H ILE 36 H ILE 36 -1.121 -5.672 -7.682 256 HA ILE 36 HA ILE 36 1.337 -4.699 -8.923 257 HB ILE 36 HB ILE 36 2.004 -4.040 -6.651 258 HG12 ILE 36 1HG1 ILE 36 -0.682 -5.191 -5.867 259 HG13 ILE 36 2HG1 ILE 36 0.896 -5.798 -5.379 260 HG21 ILE 36 1HG2 ILE 36 -0.626 -2.853 -6.587 261 HG22 ILE 36 2HG2 ILE 36 0.932 -2.117 -6.961 262 HG23 ILE 36 3HG2 ILE 36 0.008 -2.919 -8.231 263 HD11 ILE 36 3HD1 ILE 36 -0.328 -3.159 -4.617 264 HD12 ILE 36 1HD1 ILE 36 -0.099 -4.563 -3.576 265 HD13 ILE 36 2HD1 ILE 36 1.300 -3.680 -4.187 266 H ASP 37 H ASP 37 3.337 -5.324 -7.374 267 HA ASP 37 HA ASP 37 4.030 -7.934 -7.994 268 HB2 ASP 37 1HB ASP 37 5.162 -6.424 -5.639 269 HB3 ASP 37 2HB ASP 37 5.969 -7.624 -6.646 270 H CYS 38 H CYS 38 2.731 -6.632 -4.965 271 HA CYS 38 HA CYS 38 2.917 -8.824 -3.324 272 HB2 CYS 38 1HB CYS 38 1.401 -7.778 -1.949 273 HB3 CYS 38 2HB CYS 38 1.861 -6.424 -2.976 274 H GLY 39 H GLY 39 0.382 -8.128 -5.710 275 HA2 GLY 39 1HA GLY 39 -0.485 -9.995 -7.018 276 HA3 GLY 39 2HA GLY 39 -0.379 -10.978 -5.565 277 H HIS 40 H HIS 40 -1.631 -7.691 -5.720 278 HA HIS 40 HA HIS 40 -4.349 -8.731 -5.323 279 HB2 HIS 40 1HB HIS 40 -2.921 -6.683 -3.628 280 HB3 HIS 40 2HB HIS 40 -4.673 -6.855 -3.636 281 HD2 HIS 40 2HD HIS 40 -4.385 -10.285 -3.663 282 HE1 HIS 40 1HE HIS 40 -2.851 -9.503 0.215 283 HE2 HIS 40 2HE HIS 40 -3.723 -11.263 -1.362 284 H ASN 41 H ASN 41 -6.044 -7.254 -5.879 285 HA ASN 41 HA ASN 41 -5.186 -5.300 -7.897 286 HB2 ASN 41 1HB ASN 41 -7.771 -6.811 -7.512 287 HB3 ASN 41 2HB ASN 41 -7.611 -5.475 -8.648 288 HD21 ASN 41 1HD2 ASN 41 -6.937 -8.774 -8.010 289 HD22 ASN 41 2HD2 ASN 41 -6.205 -9.149 -9.530 290 H PHE 42 H PHE 42 -5.647 -3.184 -7.710 291 HA PHE 42 HA PHE 42 -7.513 -2.329 -5.611 292 HB2 PHE 42 1HB PHE 42 -4.686 -1.348 -6.014 293 HB3 PHE 42 2HB PHE 42 -5.884 -0.462 -5.075 294 HD1 PHE 42 1HD PHE 42 -6.923 -1.617 -3.072 295 HD2 PHE 42 2HD PHE 42 -3.452 -3.077 -5.055 296 HE1 PHE 42 1HE PHE 42 -6.354 -2.951 -1.085 297 HE2 PHE 42 2HE PHE 42 -2.877 -4.414 -3.072 298 HZ PHE 42 HZ PHE 42 -4.329 -4.353 -1.083 299 H CYS 43 H CYS 43 -7.686 0.233 -5.810 300 HA CYS 43 HA CYS 43 -8.342 0.735 -8.628 301 HB2 CYS 43 1HB CYS 43 -10.117 2.024 -7.940 302 HB3 CYS 43 2HB CYS 43 -10.024 0.897 -6.591 303 H LEU 44 H LEU 44 -7.489 2.416 -9.735 304 HA LEU 44 HA LEU 44 -5.051 3.476 -9.204 305 HB2 LEU 44 1HB LEU 44 -6.368 3.687 -11.323 306 HB3 LEU 44 2HB LEU 44 -7.248 5.017 -10.573 307 HG LEU 44 HG LEU 44 -5.179 6.309 -10.426 308 HD11 LEU 44 1HD1 LEU 44 -3.224 5.384 -11.808 309 HD12 LEU 44 2HD1 LEU 44 -3.985 3.811 -11.571 310 HD13 LEU 44 3HD1 LEU 44 -3.462 4.756 -10.177 311 HD21 LEU 44 3HD2 LEU 44 -4.865 6.703 -12.826 312 HD22 LEU 44 1HD2 LEU 44 -6.570 6.552 -12.404 313 HD23 LEU 44 2HD2 LEU 44 -5.732 5.207 -13.179 314 H LYS 45 H LYS 45 -8.077 5.293 -8.664 315 HA LYS 45 HA LYS 45 -7.204 7.527 -7.456 316 HB2 LYS 45 1HB LYS 45 -9.475 5.893 -6.317 317 HB3 LYS 45 2HB LYS 45 -9.271 7.637 -6.222 318 HG2 LYS 45 1HG LYS 45 -9.294 7.436 -8.851 319 HG3 LYS 45 2HG LYS 45 -10.178 5.951 -8.490 320 HD2 LYS 45 1HD LYS 45 -11.648 7.395 -6.984 321 HD3 LYS 45 2HD LYS 45 -10.904 8.782 -7.784 322 HE2 LYS 45 1HE LYS 45 -11.584 7.502 -9.964 323 HE3 LYS 45 2HE LYS 45 -12.731 6.696 -8.894 324 HZ1 LYS 45 3HZ LYS 45 -14.049 8.435 -9.210 325 HZ2 LYS 45 1HZ LYS 45 -12.839 9.314 -10.002 326 HZ3 LYS 45 2HZ LYS 45 -12.960 9.371 -8.316 327 H CYS 46 H CYS 46 -7.136 4.319 -6.074 328 HA CYS 46 HA CYS 46 -6.284 5.314 -3.476 329 HB2 CYS 46 1HB CYS 46 -7.165 2.703 -4.576 330 HB3 CYS 46 2HB CYS 46 -6.009 2.645 -3.249 331 H ILE 47 H ILE 47 -4.980 2.725 -5.545 332 HA ILE 47 HA ILE 47 -2.483 2.473 -4.610 333 HB ILE 47 HB ILE 47 -3.169 2.649 -7.546 334 HG12 ILE 47 1HG1 ILE 47 -2.935 0.193 -5.804 335 HG13 ILE 47 2HG1 ILE 47 -4.465 1.002 -6.123 336 HG21 ILE 47 1HG2 ILE 47 -0.686 2.729 -6.693 337 HG22 ILE 47 2HG2 ILE 47 -0.934 0.997 -6.480 338 HG23 ILE 47 3HG2 ILE 47 -1.138 1.728 -8.072 339 HD11 ILE 47 3HD1 ILE 47 -4.617 -0.445 -7.814 340 HD12 ILE 47 1HD1 ILE 47 -3.509 0.651 -8.638 341 HD13 ILE 47 2HD1 ILE 47 -2.886 -0.780 -7.816 342 H THR 48 H THR 48 -3.618 5.143 -6.607 343 HA THR 48 HA THR 48 -1.027 6.348 -6.869 344 HB THR 48 HB THR 48 -3.755 7.560 -7.356 345 HG1 THR 48 1HG THR 48 -2.898 7.120 -9.629 346 HG21 THR 48 3HG2 THR 48 -1.610 8.616 -8.955 347 HG22 THR 48 1HG2 THR 48 -1.230 8.780 -7.242 348 HG23 THR 48 2HG2 THR 48 -2.724 9.464 -7.883 349 H GLN 49 H GLN 49 -3.999 7.444 -5.217 350 HA GLN 49 HA GLN 49 -3.072 9.593 -3.855 351 HB2 GLN 49 1HB GLN 49 -5.053 7.478 -3.101 352 HB3 GLN 49 2HB GLN 49 -4.648 8.739 -1.944 353 HG2 GLN 49 1HG GLN 49 -5.603 9.304 -4.736 354 HG3 GLN 49 2HG GLN 49 -6.678 9.164 -3.346 355 HE21 GLN 49 1HE2 GLN 49 -6.761 10.795 -1.853 356 HE22 GLN 49 2HE2 GLN 49 -5.987 12.323 -2.076 357 H ILE 50 H ILE 50 -2.756 6.215 -2.807 358 HA ILE 50 HA ILE 50 -1.616 6.500 -0.346 359 HB ILE 50 HB ILE 50 -0.864 4.519 -2.495 360 HG12 ILE 50 1HG1 ILE 50 -2.586 4.109 -0.050 361 HG13 ILE 50 2HG1 ILE 50 -3.248 4.606 -1.604 362 HG21 ILE 50 1HG2 ILE 50 -0.145 4.578 0.428 363 HG22 ILE 50 2HG2 ILE 50 -0.009 3.144 -0.588 364 HG23 ILE 50 3HG2 ILE 50 0.953 4.576 -0.952 365 HD11 ILE 50 3HD1 ILE 50 -3.081 2.550 -2.467 366 HD12 ILE 50 1HD1 ILE 50 -1.520 2.244 -1.707 367 HD13 ILE 50 2HD1 ILE 50 -3.007 2.045 -0.780 368 H GLY 51 H GLY 51 0.139 6.510 -3.450 369 HA2 GLY 51 1HA GLY 51 1.935 8.528 -2.743 370 HA3 GLY 51 2HA GLY 51 2.687 6.994 -2.330 371 H GLU 52 H GLU 52 2.896 9.230 -4.539 372 HA GLU 52 HA GLU 52 3.335 7.308 -6.725 373 HB2 GLU 52 1HB GLU 52 1.952 9.959 -6.777 374 HB3 GLU 52 2HB GLU 52 2.846 9.435 -8.197 375 HG2 GLU 52 1HG GLU 52 0.608 7.914 -6.878 376 HG3 GLU 52 2HG GLU 52 0.473 8.881 -8.346 377 H THR 53 H THR 53 4.066 10.675 -5.796 378 HA THR 53 HA THR 53 6.218 11.304 -7.229 379 HB THR 53 HB THR 53 7.184 12.500 -5.297 380 HG1 THR 53 1HG THR 53 5.378 12.057 -3.430 381 HG21 THR 53 3HG2 THR 53 4.215 12.794 -5.056 382 HG22 THR 53 1HG2 THR 53 5.021 13.194 -6.572 383 HG23 THR 53 2HG2 THR 53 5.462 14.040 -5.089 384 H SER 54 H SER 54 6.311 9.095 -4.456 385 HA SER 54 HA SER 54 9.097 8.638 -4.519 386 HB2 SER 54 1HB SER 54 8.588 6.660 -3.116 387 HB3 SER 54 2HB SER 54 7.764 8.110 -2.542 388 HG SER 54 HG SER 54 6.519 6.273 -4.292 389 H CYS 55 H CYS 55 10.325 7.081 -5.500 390 HA CYS 55 HA CYS 55 9.427 6.072 -7.984 391 HB2 CYS 55 1HB CYS 55 11.778 6.616 -7.581 392 HB3 CYS 55 2HB CYS 55 11.880 5.346 -6.368 393 HG CYS 55 HG CYS 55 13.048 3.919 -8.203 394 H GLY 56 H GLY 56 7.530 4.876 -7.398 395 HA2 GLY 56 1HA GLY 56 6.354 3.025 -6.646 396 HA3 GLY 56 2HA GLY 56 7.649 2.187 -7.487 397 H PHE 57 H PHE 57 6.992 3.754 -4.356 398 HA PHE 57 HA PHE 57 8.298 1.468 -3.051 399 HB2 PHE 57 1HB PHE 57 8.930 4.366 -2.767 400 HB3 PHE 57 2HB PHE 57 8.989 3.370 -1.316 401 HD1 PHE 57 1HD PHE 57 10.414 1.230 -1.434 402 HD2 PHE 57 2HD PHE 57 10.749 4.452 -4.194 403 HE1 PHE 57 1HE PHE 57 12.668 0.462 -2.052 404 HE2 PHE 57 2HE PHE 57 13.003 3.689 -4.817 405 HZ PHE 57 HZ PHE 57 13.965 1.691 -3.747 406 H PHE 58 H PHE 58 5.573 1.685 -3.407 407 HA PHE 58 HA PHE 58 4.594 2.457 -0.739 408 HB2 PHE 58 1HB PHE 58 2.503 2.971 -1.656 409 HB3 PHE 58 2HB PHE 58 3.633 3.564 -2.869 410 HD1 PHE 58 1HD PHE 58 4.224 1.859 -4.767 411 HD2 PHE 58 2HD PHE 58 0.749 1.641 -2.319 412 HE1 PHE 58 1HE PHE 58 3.109 0.486 -6.478 413 HE2 PHE 58 2HE PHE 58 -0.371 0.267 -4.025 414 HZ PHE 58 HZ PHE 58 0.809 -0.312 -6.108 415 H LYS 59 H LYS 59 3.988 0.882 0.583 416 HA LYS 59 HA LYS 59 4.002 -1.853 -0.301 417 HB2 LYS 59 1HB LYS 59 3.712 -2.427 2.012 418 HB3 LYS 59 2HB LYS 59 4.873 -1.110 1.920 419 HG2 LYS 59 1HG LYS 59 3.451 0.399 2.888 420 HG3 LYS 59 2HG LYS 59 2.003 -0.456 2.351 421 HD2 LYS 59 1HD LYS 59 2.677 -2.303 3.959 422 HD3 LYS 59 2HD LYS 59 3.852 -1.162 4.618 423 HE2 LYS 59 1HE LYS 59 1.954 -0.964 5.992 424 HE3 LYS 59 2HE LYS 59 1.901 0.436 4.922 425 HZ1 LYS 59 3HZ LYS 59 -0.259 -0.730 5.211 426 HZ2 LYS 59 1HZ LYS 59 0.399 -2.072 4.418 427 HZ3 LYS 59 2HZ LYS 59 0.241 -0.601 3.600 428 H CYS 60 H CYS 60 2.214 -3.356 0.273 429 HA CYS 60 HA CYS 60 -0.291 -2.276 -0.705 430 HB2 CYS 60 1HB CYS 60 0.423 -4.374 -1.648 431 HB3 CYS 60 2HB CYS 60 0.597 -5.089 -0.048 432 HA PRO 61 HA PRO 61 -2.116 -1.765 3.279 433 HB2 PRO 61 1HB PRO 61 -4.714 -1.673 2.500 434 HB3 PRO 61 2HB PRO 61 -3.587 -0.336 2.245 435 HG2 PRO 61 1HG PRO 61 -4.489 -2.445 0.322 436 HG3 PRO 61 2HG PRO 61 -4.280 -0.705 0.056 437 HD2 PRO 61 1HD PRO 61 -2.442 -2.530 -0.734 438 HD3 PRO 61 2HD PRO 61 -1.998 -0.892 -0.213 439 H LEU 62 H LEU 62 -3.652 -4.121 1.090 440 HA LEU 62 HA LEU 62 -4.977 -5.597 3.075 441 HB2 LEU 62 1HB LEU 62 -4.093 -6.176 0.280 442 HB3 LEU 62 2HB LEU 62 -4.753 -7.471 1.277 443 HG LEU 62 HG LEU 62 -6.279 -4.924 0.856 444 HD11 LEU 62 1HD1 LEU 62 -6.866 -7.253 -0.873 445 HD12 LEU 62 2HD1 LEU 62 -5.470 -6.263 -1.300 446 HD13 LEU 62 3HD1 LEU 62 -7.068 -5.528 -1.180 447 HD21 LEU 62 3HD2 LEU 62 -6.730 -7.539 2.066 448 HD22 LEU 62 1HD2 LEU 62 -8.004 -7.056 0.945 449 HD23 LEU 62 2HD2 LEU 62 -7.585 -6.014 2.305 450 H CYS 63 H CYS 63 -1.871 -6.230 1.448 451 HA CYS 63 HA CYS 63 -1.115 -7.894 3.760 452 HB2 CYS 63 1HB CYS 63 0.107 -9.374 2.296 453 HB3 CYS 63 2HB CYS 63 -1.545 -9.239 1.703 454 H LYS 64 H LYS 64 0.463 -6.976 4.873 455 HA LYS 64 HA LYS 64 2.009 -4.809 3.902 456 HB2 LYS 64 1HB LYS 64 2.075 -6.500 6.377 457 HB3 LYS 64 2HB LYS 64 3.385 -5.373 6.051 458 HG2 LYS 64 1HG LYS 64 1.995 -4.106 7.363 459 HG3 LYS 64 2HG LYS 64 1.463 -3.647 5.743 460 HD2 LYS 64 1HD LYS 64 -0.558 -4.059 6.750 461 HD3 LYS 64 2HD LYS 64 -0.205 -5.651 6.072 462 HE2 LYS 64 1HE LYS 64 -0.800 -6.202 8.225 463 HE3 LYS 64 2HE LYS 64 0.949 -6.053 8.381 464 HZ1 LYS 64 3HZ LYS 64 -0.491 -3.591 8.808 465 HZ2 LYS 64 1HZ LYS 64 0.753 -4.290 9.718 466 HZ3 LYS 64 2HZ LYS 64 -0.845 -4.796 9.942 467 H THR 65 H THR 65 2.984 -5.605 1.987 468 HA THR 65 HA THR 65 5.165 -7.536 2.423 469 HB THR 65 HB THR 65 5.133 -7.959 0.013 470 HG1 THR 65 1HG THR 65 3.323 -7.024 -1.183 471 HG21 THR 65 3HG2 THR 65 2.964 -9.091 -0.132 472 HG22 THR 65 1HG2 THR 65 2.389 -8.173 1.258 473 HG23 THR 65 2HG2 THR 65 3.705 -9.331 1.450 474 H SER 66 H SER 66 7.078 -7.171 0.934 475 HA SER 66 HA SER 66 7.666 -4.287 0.762 476 HB2 SER 66 1HB SER 66 8.916 -5.418 2.583 477 HB3 SER 66 2HB SER 66 9.620 -6.513 1.393 478 HG SER 66 HG SER 66 11.021 -4.781 1.822 479 H VAL 67 H VAL 67 7.238 -4.003 -1.392 480 HA VAL 67 HA VAL 67 8.951 -5.513 -3.256 481 HB VAL 67 HB VAL 67 7.204 -5.160 -4.990 482 HG11 VAL 67 1HG1 VAL 67 7.173 -6.987 -2.793 483 HG12 VAL 67 2HG1 VAL 67 5.515 -6.647 -3.293 484 HG13 VAL 67 3HG1 VAL 67 6.685 -7.253 -4.467 485 HG21 VAL 67 3HG2 VAL 67 6.173 -3.247 -3.523 486 HG22 VAL 67 1HG2 VAL 67 5.146 -4.229 -4.567 487 HG23 VAL 67 2HG2 VAL 67 5.225 -4.567 -2.838 488 H ARG 68 H ARG 68 9.913 -4.373 -4.930 489 HA ARG 68 HA ARG 68 9.458 -1.495 -5.099 490 HB2 ARG 68 1HB ARG 68 11.885 -1.027 -4.967 491 HB3 ARG 68 2HB ARG 68 11.235 -1.664 -3.462 492 HG2 ARG 68 1HG ARG 68 12.052 -3.941 -4.276 493 HG3 ARG 68 2HG ARG 68 12.979 -3.037 -5.475 494 HD2 ARG 68 1HD ARG 68 13.146 -2.699 -2.482 495 HD3 ARG 68 2HD ARG 68 14.320 -3.541 -3.492 496 HE ARG 68 HE ARG 68 14.124 -0.731 -3.085 497 HH11 ARG 68 2HH1 ARG 68 14.968 -3.157 -5.435 498 HH12 ARG 68 1HH1 ARG 68 16.058 -2.125 -6.301 499 HH21 ARG 68 2HH2 ARG 68 15.555 0.637 -4.217 500 HH22 ARG 68 1HH2 ARG 68 16.391 0.033 -5.607 501 H LYS 69 H LYS 69 9.354 -0.894 -7.155 502 HA LYS 69 HA LYS 69 10.559 -2.650 -9.187 503 HB2 LYS 69 1HB LYS 69 8.909 -1.636 -10.750 504 HB3 LYS 69 2HB LYS 69 8.164 -2.514 -9.422 505 HG2 LYS 69 1HG LYS 69 8.593 0.404 -9.091 506 HG3 LYS 69 2HG LYS 69 7.311 -0.136 -10.178 507 HD2 LYS 69 1HD LYS 69 7.485 -1.396 -7.491 508 HD3 LYS 69 2HD LYS 69 6.883 0.260 -7.591 509 HE2 LYS 69 1HE LYS 69 5.795 -1.887 -9.376 510 HE3 LYS 69 2HE LYS 69 5.198 -1.692 -7.729 511 HZ1 LYS 69 3HZ LYS 69 4.862 0.055 -10.046 512 HZ2 LYS 69 1HZ LYS 69 5.002 0.796 -8.531 513 HZ3 LYS 69 2HZ LYS 69 3.769 -0.327 -8.812 514 H ASN 70 H ASN 70 11.068 -1.403 -11.286 515 HA ASN 70 HA ASN 70 12.581 1.012 -10.545 516 HB2 ASN 70 1HB ASN 70 13.920 0.406 -12.663 517 HB3 ASN 70 2HB ASN 70 14.160 -0.586 -11.228 518 HD21 ASN 70 1HD2 ASN 70 13.280 -0.534 -14.491 519 HD22 ASN 70 2HD2 ASN 70 12.817 -2.192 -14.645 520 H ALA 71 H ALA 71 11.169 2.632 -11.016 521 HA ALA 71 HA ALA 71 9.987 2.684 -13.708 522 HB1 ALA 71 3HB ALA 71 9.220 4.541 -11.485 523 HB2 ALA 71 1HB ALA 71 8.286 4.053 -12.899 524 HB3 ALA 71 2HB ALA 71 8.559 2.909 -11.584 525 H ILE 72 H ILE 72 11.698 3.474 -14.905 526 HA ILE 72 HA ILE 72 13.431 5.534 -14.204 527 HB ILE 72 HB ILE 72 13.863 5.817 -16.604 528 HG12 ILE 72 1HG1 ILE 72 11.847 3.700 -17.240 529 HG13 ILE 72 2HG1 ILE 72 11.307 5.368 -17.084 530 HG21 ILE 72 1HG2 ILE 72 14.149 3.212 -17.042 531 HG22 ILE 72 2HG2 ILE 72 15.150 4.087 -15.885 532 HG23 ILE 72 3HG2 ILE 72 13.769 3.146 -15.321 533 HD11 ILE 72 3HD1 ILE 72 11.893 5.693 -19.187 534 HD12 ILE 72 1HD1 ILE 72 13.575 5.438 -18.725 535 HD13 ILE 72 2HD1 ILE 72 12.597 4.079 -19.282 536 H ARG 73 H ARG 73 13.527 7.672 -15.485 537 HA ARG 73 HA ARG 73 11.316 9.252 -14.690 538 HB2 ARG 73 1HB ARG 73 13.673 9.886 -16.473 539 HB3 ARG 73 2HB ARG 73 12.506 11.080 -15.922 540 HG2 ARG 73 1HG ARG 73 13.122 10.522 -13.583 541 HG3 ARG 73 2HG ARG 73 14.383 9.462 -14.216 542 HD2 ARG 73 1HD ARG 73 14.154 12.419 -14.765 543 HD3 ARG 73 2HD ARG 73 15.235 11.688 -13.580 544 HE ARG 73 HE ARG 73 15.591 10.625 -16.214 545 HH11 ARG 73 2HH1 ARG 73 16.422 13.246 -14.079 546 HH12 ARG 73 1HH1 ARG 73 17.902 13.617 -14.899 547 HH21 ARG 73 2HH2 ARG 73 17.538 11.104 -17.302 548 HH22 ARG 73 1HH2 ARG 73 18.536 12.398 -16.733 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -51.473 -49.658 -9.776 2 HA2 GLY 1 1HA GLY 1 -50.373 -47.563 -9.773 3 HA3 GLY 1 2HA GLY 1 -51.929 -46.773 -9.982 4 H SER 2 H SER 2 -49.486 -47.119 -7.879 5 HA SER 2 HA SER 2 -50.662 -47.689 -5.412 6 HB2 SER 2 1HB SER 2 -48.764 -46.377 -4.443 7 HB3 SER 2 2HB SER 2 -48.256 -47.577 -5.631 8 HG SER 2 HG SER 2 -48.526 -45.614 -7.128 9 H SER 3 H SER 3 -51.332 -46.294 -3.702 10 HA SER 3 HA SER 3 -52.345 -43.682 -4.616 11 HB2 SER 3 1HB SER 3 -54.207 -45.252 -4.438 12 HB3 SER 3 2HB SER 3 -53.731 -45.662 -2.790 13 HG SER 3 HG SER 3 -53.960 -43.153 -2.627 14 H GLY 4 H GLY 4 -50.843 -42.372 -3.686 15 HA2 GLY 4 1HA GLY 4 -50.996 -41.326 -1.251 16 HA3 GLY 4 2HA GLY 4 -50.090 -42.790 -0.899 17 H SER 5 H SER 5 -50.036 -39.697 -2.528 18 HA SER 5 HA SER 5 -47.182 -39.538 -2.219 19 HB2 SER 5 1HB SER 5 -46.773 -39.080 -4.659 20 HB3 SER 5 2HB SER 5 -47.178 -40.756 -4.293 21 HG SER 5 HG SER 5 -48.324 -39.373 -6.079 22 H SER 6 H SER 6 -46.362 -37.422 -2.550 23 HA SER 6 HA SER 6 -48.188 -35.305 -3.305 24 HB2 SER 6 1HB SER 6 -48.114 -34.111 -1.220 25 HB3 SER 6 2HB SER 6 -48.651 -35.754 -0.870 26 HG SER 6 HG SER 6 -47.072 -35.707 0.521 27 H GLY 7 H GLY 7 -47.056 -33.113 -3.065 28 HA2 GLY 7 1HA GLY 7 -44.259 -32.930 -2.834 29 HA3 GLY 7 2HA GLY 7 -44.662 -33.171 -4.527 30 H MET 8 H MET 8 -44.444 -30.936 -1.968 31 HA MET 8 HA MET 8 -45.323 -28.802 -3.771 32 HB2 MET 8 1HB MET 8 -46.205 -29.090 -0.894 33 HB3 MET 8 2HB MET 8 -46.481 -27.667 -1.890 34 HG2 MET 8 1HG MET 8 -47.438 -30.320 -2.845 35 HG3 MET 8 2HG MET 8 -48.339 -29.473 -1.590 36 HE1 MET 8 3HE MET 8 -50.708 -28.539 -2.946 37 HE2 MET 8 1HE MET 8 -50.544 -28.903 -4.664 38 HE3 MET 8 2HE MET 8 -50.045 -30.091 -3.460 39 H ALA 9 H ALA 9 -43.533 -27.646 -4.064 40 HA ALA 9 HA ALA 9 -42.259 -26.353 -1.852 41 HB1 ALA 9 3HB ALA 9 -39.986 -27.431 -2.968 42 HB2 ALA 9 1HB ALA 9 -40.718 -27.910 -1.436 43 HB3 ALA 9 2HB ALA 9 -41.097 -28.799 -2.912 44 H SER 10 H SER 10 -41.343 -24.470 -2.476 45 HA SER 10 HA SER 10 -40.614 -24.078 -5.276 46 HB2 SER 10 1HB SER 10 -43.039 -23.408 -4.942 47 HB3 SER 10 2HB SER 10 -42.453 -22.130 -3.877 48 HG SER 10 HG SER 10 -41.976 -22.469 -6.644 49 H GLY 11 H GLY 11 -38.837 -22.856 -5.502 50 HA2 GLY 11 1HA GLY 11 -38.022 -20.606 -4.264 51 HA3 GLY 11 2HA GLY 11 -37.559 -21.846 -3.108 52 H GLN 12 H GLN 12 -36.701 -20.185 -5.937 53 HA GLN 12 HA GLN 12 -34.519 -22.090 -6.469 54 HB2 GLN 12 1HB GLN 12 -36.110 -20.287 -8.226 55 HB3 GLN 12 2HB GLN 12 -34.425 -20.564 -8.647 56 HG2 GLN 12 1HG GLN 12 -34.820 -22.960 -8.725 57 HG3 GLN 12 2HG GLN 12 -36.501 -22.708 -8.256 58 HE21 GLN 12 1HE2 GLN 12 -37.917 -22.629 -9.840 59 HE22 GLN 12 2HE2 GLN 12 -37.580 -22.259 -11.493 60 H PHE 13 H PHE 13 -32.442 -21.440 -6.316 61 HA PHE 13 HA PHE 13 -31.790 -19.159 -4.822 62 HB2 PHE 13 1HB PHE 13 -30.157 -21.067 -6.478 63 HB3 PHE 13 2HB PHE 13 -29.411 -19.683 -5.684 64 HD1 PHE 13 2HD PHE 13 -31.523 -22.663 -4.995 65 HD2 PHE 13 1HD PHE 13 -28.713 -19.846 -3.483 66 HE1 PHE 13 2HE PHE 13 -31.349 -23.960 -2.912 67 HE2 PHE 13 1HE PHE 13 -28.534 -21.139 -1.397 68 HZ PHE 13 HZ PHE 13 -29.854 -23.198 -1.109 69 H VAL 14 H VAL 14 -30.315 -17.401 -5.515 70 HA VAL 14 HA VAL 14 -31.414 -16.029 -7.764 71 HB VAL 14 HB VAL 14 -29.840 -14.240 -7.226 72 HG11 VAL 14 1HG1 VAL 14 -30.991 -15.380 -4.685 73 HG12 VAL 14 2HG1 VAL 14 -30.677 -13.683 -5.056 74 HG13 VAL 14 3HG1 VAL 14 -31.945 -14.556 -5.918 75 HG21 VAL 14 3HG2 VAL 14 -28.349 -14.563 -5.209 76 HG22 VAL 14 1HG2 VAL 14 -28.647 -16.293 -5.377 77 HG23 VAL 14 2HG2 VAL 14 -27.852 -15.405 -6.677 78 H ASN 15 H ASN 15 -30.201 -15.187 -9.572 79 HA ASN 15 HA ASN 15 -27.644 -16.318 -10.232 80 HB2 ASN 15 1HB ASN 15 -29.973 -17.100 -11.990 81 HB3 ASN 15 2HB ASN 15 -28.299 -17.634 -12.121 82 HD21 ASN 15 1HD2 ASN 15 -27.775 -19.491 -11.208 83 HD22 ASN 15 2HD2 ASN 15 -28.723 -20.345 -10.042 84 H LYS 16 H LYS 16 -27.006 -15.678 -12.521 85 HA LYS 16 HA LYS 16 -26.499 -13.929 -13.898 86 HB2 LYS 16 1HB LYS 16 -29.492 -14.087 -13.955 87 HB3 LYS 16 2HB LYS 16 -28.667 -12.821 -14.854 88 HG2 LYS 16 1HG LYS 16 -27.550 -14.385 -16.224 89 HG3 LYS 16 2HG LYS 16 -28.001 -15.732 -15.176 90 HD2 LYS 16 1HD LYS 16 -29.560 -15.999 -16.822 91 HD3 LYS 16 2HD LYS 16 -30.444 -14.895 -15.766 92 HE2 LYS 16 1HE LYS 16 -28.694 -13.820 -17.941 93 HE3 LYS 16 2HE LYS 16 -30.310 -14.415 -18.320 94 HZ1 LYS 16 3HZ LYS 16 -30.484 -12.105 -17.914 95 HZ2 LYS 16 1HZ LYS 16 -29.588 -12.203 -16.482 96 HZ3 LYS 16 2HZ LYS 16 -31.138 -12.874 -16.557 97 H LEU 17 H LEU 17 -26.278 -13.231 -11.223 98 HA LEU 17 HA LEU 17 -27.533 -10.614 -10.931 99 HB2 LEU 17 1HB LEU 17 -26.320 -10.665 -8.703 100 HB3 LEU 17 2HB LEU 17 -27.615 -11.836 -8.942 101 HG LEU 17 HG LEU 17 -25.443 -12.597 -7.783 102 HD11 LEU 17 1HD1 LEU 17 -25.684 -14.639 -9.700 103 HD12 LEU 17 2HD1 LEU 17 -27.276 -13.896 -9.552 104 HD13 LEU 17 3HD1 LEU 17 -26.464 -14.533 -8.122 105 HD21 LEU 17 3HD2 LEU 17 -23.885 -11.634 -9.388 106 HD22 LEU 17 1HD2 LEU 17 -24.559 -12.646 -10.667 107 HD23 LEU 17 2HD2 LEU 17 -23.704 -13.388 -9.314 108 H GLN 18 H GLN 18 -25.890 -8.993 -9.765 109 HA GLN 18 HA GLN 18 -23.587 -8.775 -11.586 110 HB2 GLN 18 1HB GLN 18 -25.443 -6.764 -10.402 111 HB3 GLN 18 2HB GLN 18 -23.781 -6.279 -10.709 112 HG2 GLN 18 1HG GLN 18 -23.990 -6.695 -13.028 113 HG3 GLN 18 2HG GLN 18 -25.532 -7.520 -12.808 114 HE21 GLN 18 1HE2 GLN 18 -27.265 -6.378 -13.258 115 HE22 GLN 18 2HE2 GLN 18 -27.384 -4.655 -13.246 116 H GLU 19 H GLU 19 -22.092 -9.904 -10.357 117 HA GLU 19 HA GLU 19 -21.489 -8.807 -7.695 118 HB2 GLU 19 1HB GLU 19 -21.988 -11.212 -7.740 119 HB3 GLU 19 2HB GLU 19 -20.696 -11.462 -8.905 120 HG2 GLU 19 1HG GLU 19 -20.114 -12.067 -6.566 121 HG3 GLU 19 2HG GLU 19 -19.033 -10.889 -7.307 122 H GLU 20 H GLU 20 -20.268 -7.038 -8.391 123 HA GLU 20 HA GLU 20 -17.817 -7.639 -9.891 124 HB2 GLU 20 1HB GLU 20 -19.307 -5.075 -9.362 125 HB3 GLU 20 2HB GLU 20 -17.666 -5.084 -9.993 126 HG2 GLU 20 1HG GLU 20 -18.699 -6.710 -11.772 127 HG3 GLU 20 2HG GLU 20 -20.203 -5.927 -11.291 128 H VAL 21 H VAL 21 -15.789 -7.063 -9.115 129 HA VAL 21 HA VAL 21 -15.482 -7.173 -6.278 130 HB VAL 21 HB VAL 21 -13.846 -8.214 -7.780 131 HG11 VAL 21 1HG1 VAL 21 -12.530 -5.671 -8.460 132 HG12 VAL 21 2HG1 VAL 21 -12.721 -7.144 -9.413 133 HG13 VAL 21 3HG1 VAL 21 -14.049 -5.988 -9.298 134 HG21 VAL 21 3HG2 VAL 21 -12.548 -5.988 -6.218 135 HG22 VAL 21 1HG2 VAL 21 -13.235 -7.436 -5.480 136 HG23 VAL 21 2HG2 VAL 21 -11.874 -7.574 -6.594 137 H ILE 22 H ILE 22 -15.082 -5.586 -4.841 138 HA ILE 22 HA ILE 22 -15.006 -2.831 -5.876 139 HB ILE 22 HB ILE 22 -15.811 -3.675 -3.095 140 HG12 ILE 22 1HG1 ILE 22 -17.691 -2.903 -5.324 141 HG13 ILE 22 2HG1 ILE 22 -17.283 -4.579 -4.975 142 HG21 ILE 22 1HG2 ILE 22 -15.960 -1.100 -4.635 143 HG22 ILE 22 2HG2 ILE 22 -16.930 -1.396 -3.193 144 HG23 ILE 22 3HG2 ILE 22 -15.170 -1.412 -3.090 145 HD11 ILE 22 3HD1 ILE 22 -19.427 -3.531 -3.972 146 HD12 ILE 22 1HD1 ILE 22 -18.415 -4.575 -2.974 147 HD13 ILE 22 2HD1 ILE 22 -18.315 -2.822 -2.800 148 H CYS 23 H CYS 23 -13.685 -1.280 -4.767 149 HA CYS 23 HA CYS 23 -11.112 -2.334 -4.072 150 HB2 CYS 23 1HB CYS 23 -11.510 -0.194 -5.349 151 HB3 CYS 23 2HB CYS 23 -12.048 0.529 -3.837 152 HA PRO 24 HA PRO 24 -12.091 -2.732 0.265 153 HB2 PRO 24 1HB PRO 24 -9.651 -3.671 0.997 154 HB3 PRO 24 2HB PRO 24 -10.870 -4.678 0.207 155 HG2 PRO 24 1HG PRO 24 -8.489 -3.304 -0.979 156 HG3 PRO 24 2HG PRO 24 -9.101 -4.941 -1.280 157 HD2 PRO 24 1HD PRO 24 -9.573 -2.876 -2.967 158 HD3 PRO 24 2HD PRO 24 -10.732 -4.200 -2.731 159 H ILE 25 H ILE 25 -10.285 -0.446 -1.255 160 HA ILE 25 HA ILE 25 -9.146 0.669 1.208 161 HB ILE 25 HB ILE 25 -8.711 1.445 -1.678 162 HG12 ILE 25 1HG1 ILE 25 -6.872 0.159 0.352 163 HG13 ILE 25 2HG1 ILE 25 -7.637 -0.665 -1.002 164 HG21 ILE 25 1HG2 ILE 25 -6.941 2.935 -0.765 165 HG22 ILE 25 2HG2 ILE 25 -8.579 3.427 -0.337 166 HG23 ILE 25 3HG2 ILE 25 -7.565 2.611 0.852 167 HD11 ILE 25 3HD1 ILE 25 -5.486 -0.258 -1.750 168 HD12 ILE 25 1HD1 ILE 25 -6.417 1.060 -2.461 169 HD13 ILE 25 2HD1 ILE 25 -5.432 1.349 -1.027 170 H CYS 26 H CYS 26 -11.056 1.717 -1.614 171 HA CYS 26 HA CYS 26 -12.140 3.906 0.023 172 HB2 CYS 26 1HB CYS 26 -12.872 4.850 -2.201 173 HB3 CYS 26 2HB CYS 26 -11.130 4.760 -1.964 174 H LEU 27 H LEU 27 -12.918 0.932 -1.460 175 HA LEU 27 HA LEU 27 -14.823 -0.317 -1.452 176 HB2 LEU 27 1HB LEU 27 -16.239 1.892 -0.002 177 HB3 LEU 27 2HB LEU 27 -16.555 0.159 0.052 178 HG LEU 27 HG LEU 27 -14.076 1.431 1.200 179 HD11 LEU 27 1HD1 LEU 27 -15.478 0.716 3.362 180 HD12 LEU 27 2HD1 LEU 27 -16.807 1.166 2.294 181 HD13 LEU 27 3HD1 LEU 27 -15.539 2.335 2.665 182 HD21 LEU 27 3HD2 LEU 27 -14.741 -1.222 0.638 183 HD22 LEU 27 1HD2 LEU 27 -14.974 -1.039 2.377 184 HD23 LEU 27 2HD2 LEU 27 -13.417 -0.643 1.649 185 H ASP 28 H ASP 28 -14.289 1.115 -3.696 186 HA ASP 28 HA ASP 28 -16.978 1.914 -4.592 187 HB2 ASP 28 1HB ASP 28 -15.599 3.916 -4.418 188 HB3 ASP 28 2HB ASP 28 -14.342 3.162 -5.395 189 H ILE 29 H ILE 29 -17.628 1.186 -6.584 190 HA ILE 29 HA ILE 29 -16.875 -1.223 -7.545 191 HB ILE 29 HB ILE 29 -17.838 1.098 -9.220 192 HG12 ILE 29 1HG1 ILE 29 -19.403 -1.194 -8.021 193 HG13 ILE 29 2HG1 ILE 29 -19.273 0.396 -7.277 194 HG21 ILE 29 1HG2 ILE 29 -16.815 -0.688 -10.572 195 HG22 ILE 29 2HG2 ILE 29 -17.919 -1.851 -9.839 196 HG23 ILE 29 3HG2 ILE 29 -18.552 -0.549 -10.845 197 HD11 ILE 29 3HD1 ILE 29 -20.516 -0.255 -9.937 198 HD12 ILE 29 1HD1 ILE 29 -21.350 0.232 -8.461 199 HD13 ILE 29 2HD1 ILE 29 -20.299 1.375 -9.299 200 H LEU 30 H LEU 30 -14.818 -1.834 -7.867 201 HA LEU 30 HA LEU 30 -12.731 -0.230 -8.803 202 HB2 LEU 30 1HB LEU 30 -13.187 -3.148 -8.507 203 HB3 LEU 30 2HB LEU 30 -11.833 -2.630 -9.510 204 HG LEU 30 HG LEU 30 -12.150 -1.614 -6.706 205 HD11 LEU 30 1HD1 LEU 30 -10.362 -3.916 -7.182 206 HD12 LEU 30 2HD1 LEU 30 -12.090 -4.259 -7.110 207 HD13 LEU 30 3HD1 LEU 30 -11.291 -3.472 -5.750 208 HD21 LEU 30 3HD2 LEU 30 -9.724 -2.080 -8.435 209 HD22 LEU 30 1HD2 LEU 30 -9.769 -1.283 -6.863 210 HD23 LEU 30 2HD2 LEU 30 -10.550 -0.532 -8.254 211 H GLN 31 H GLN 31 -13.462 0.911 -10.626 212 HA GLN 31 HA GLN 31 -14.519 -0.273 -12.945 213 HB2 GLN 31 1HB GLN 31 -14.411 2.225 -12.212 214 HB3 GLN 31 2HB GLN 31 -12.860 2.224 -13.041 215 HG2 GLN 31 1HG GLN 31 -13.848 1.764 -15.119 216 HG3 GLN 31 2HG GLN 31 -15.379 1.298 -14.378 217 HE21 GLN 31 1HE2 GLN 31 -15.716 2.976 -16.300 218 HE22 GLN 31 2HE2 GLN 31 -15.977 4.595 -15.757 219 H LYS 32 H LYS 32 -11.214 0.380 -11.928 220 HA LYS 32 HA LYS 32 -10.272 -1.302 -14.143 221 HB2 LYS 32 1HB LYS 32 -8.286 0.207 -14.364 222 HB3 LYS 32 2HB LYS 32 -9.804 0.931 -14.876 223 HG2 LYS 32 1HG LYS 32 -9.859 1.852 -12.437 224 HG3 LYS 32 2HG LYS 32 -8.123 1.538 -12.491 225 HD2 LYS 32 1HD LYS 32 -8.196 3.707 -13.250 226 HD3 LYS 32 2HD LYS 32 -8.279 2.821 -14.775 227 HE2 LYS 32 1HE LYS 32 -10.745 3.683 -13.292 228 HE3 LYS 32 2HE LYS 32 -9.925 4.744 -14.436 229 HZ1 LYS 32 3HZ LYS 32 -11.480 2.326 -14.930 230 HZ2 LYS 32 1HZ LYS 32 -10.139 2.588 -15.927 231 HZ3 LYS 32 2HZ LYS 32 -11.368 3.746 -15.843 232 HA PRO 33 HA PRO 33 -8.636 -2.830 -10.113 233 HB2 PRO 33 1HB PRO 33 -8.902 -5.454 -10.758 234 HB3 PRO 33 2HB PRO 33 -10.221 -4.493 -10.078 235 HG2 PRO 33 1HG PRO 33 -9.694 -5.237 -12.929 236 HG3 PRO 33 2HG PRO 33 -11.228 -5.233 -12.039 237 HD2 PRO 33 1HD PRO 33 -10.520 -3.240 -13.730 238 HD3 PRO 33 2HD PRO 33 -11.508 -2.958 -12.283 239 H VAL 34 H VAL 34 -6.493 -2.832 -9.934 240 HA VAL 34 HA VAL 34 -4.896 -4.061 -12.086 241 HB VAL 34 HB VAL 34 -4.129 -1.787 -10.251 242 HG11 VAL 34 1HG1 VAL 34 -2.213 -3.199 -10.710 243 HG12 VAL 34 2HG1 VAL 34 -2.558 -3.144 -12.439 244 HG13 VAL 34 3HG1 VAL 34 -2.068 -1.678 -11.590 245 HG21 VAL 34 3HG2 VAL 34 -3.937 -1.196 -13.042 246 HG22 VAL 34 1HG2 VAL 34 -5.554 -1.804 -12.682 247 HG23 VAL 34 2HG2 VAL 34 -4.920 -0.411 -11.806 248 H THR 35 H THR 35 -3.530 -5.659 -11.568 249 HA THR 35 HA THR 35 -3.402 -6.486 -8.766 250 HB THR 35 HB THR 35 -2.486 -7.990 -11.224 251 HG1 THR 35 1HG THR 35 -4.900 -8.186 -9.715 252 HG21 THR 35 3HG2 THR 35 -2.148 -9.843 -9.866 253 HG22 THR 35 1HG2 THR 35 -3.157 -9.204 -8.569 254 HG23 THR 35 2HG2 THR 35 -1.555 -8.524 -8.856 255 H ILE 36 H ILE 36 -1.763 -5.650 -7.646 256 HA ILE 36 HA ILE 36 0.701 -4.857 -8.910 257 HB ILE 36 HB ILE 36 1.416 -4.206 -6.641 258 HG12 ILE 36 1HG1 ILE 36 -1.264 -5.359 -5.840 259 HG13 ILE 36 2HG1 ILE 36 0.322 -5.933 -5.335 260 HG21 ILE 36 1HG2 ILE 36 -1.381 -3.206 -7.047 261 HG22 ILE 36 2HG2 ILE 36 0.041 -2.328 -6.486 262 HG23 ILE 36 3HG2 ILE 36 -0.089 -2.807 -8.179 263 HD11 ILE 36 3HD1 ILE 36 -0.639 -3.163 -4.713 264 HD12 ILE 36 1HD1 ILE 36 -1.000 -4.544 -3.677 265 HD13 ILE 36 2HD1 ILE 36 0.675 -4.070 -3.963 266 H ASP 37 H ASP 37 2.757 -5.465 -7.465 267 HA ASP 37 HA ASP 37 3.376 -8.121 -8.048 268 HB2 ASP 37 1HB ASP 37 4.656 -6.106 -6.209 269 HB3 ASP 37 2HB ASP 37 5.324 -7.721 -6.428 270 H CYS 38 H CYS 38 2.386 -6.628 -4.990 271 HA CYS 38 HA CYS 38 2.719 -8.689 -3.227 272 HB2 CYS 38 1HB CYS 38 1.278 -7.575 -1.819 273 HB3 CYS 38 2HB CYS 38 1.640 -6.292 -2.968 274 H GLY 39 H GLY 39 0.014 -8.231 -5.477 275 HA2 GLY 39 1HA GLY 39 -0.891 -10.222 -6.562 276 HA3 GLY 39 2HA GLY 39 -0.687 -11.066 -5.034 277 H HIS 40 H HIS 40 -1.987 -7.817 -5.385 278 HA HIS 40 HA HIS 40 -4.659 -8.848 -4.718 279 HB2 HIS 40 1HB HIS 40 -3.156 -6.604 -3.375 280 HB3 HIS 40 2HB HIS 40 -4.905 -6.772 -3.256 281 HD2 HIS 40 2HD HIS 40 -4.486 -10.210 -2.932 282 HE1 HIS 40 1HE HIS 40 -2.923 -8.923 0.796 283 HE2 HIS 40 2HE HIS 40 -3.739 -10.889 -0.551 284 H ASN 41 H ASN 41 -6.413 -7.342 -5.209 285 HA ASN 41 HA ASN 41 -5.770 -5.745 -7.588 286 HB2 ASN 41 1HB ASN 41 -8.215 -7.228 -6.691 287 HB3 ASN 41 2HB ASN 41 -8.380 -5.885 -7.818 288 HD21 ASN 41 1HD2 ASN 41 -7.252 -9.114 -7.352 289 HD22 ASN 41 2HD2 ASN 41 -6.894 -9.454 -9.008 290 H PHE 42 H PHE 42 -6.021 -3.601 -7.596 291 HA PHE 42 HA PHE 42 -7.675 -2.350 -5.522 292 HB2 PHE 42 1HB PHE 42 -4.812 -1.644 -6.177 293 HB3 PHE 42 2HB PHE 42 -5.885 -0.589 -5.263 294 HD1 PHE 42 1HD PHE 42 -6.997 -1.651 -3.163 295 HD2 PHE 42 2HD PHE 42 -3.506 -3.179 -5.060 296 HE1 PHE 42 1HE PHE 42 -6.390 -2.828 -1.090 297 HE2 PHE 42 2HE PHE 42 -2.894 -4.359 -2.990 298 HZ PHE 42 HZ PHE 42 -4.337 -4.186 -1.002 299 H CYS 43 H CYS 43 -7.849 0.101 -6.001 300 HA CYS 43 HA CYS 43 -8.512 0.355 -8.845 301 HB2 CYS 43 1HB CYS 43 -10.209 1.784 -8.257 302 HB3 CYS 43 2HB CYS 43 -10.116 0.823 -6.784 303 H LEU 44 H LEU 44 -7.665 1.918 -10.138 304 HA LEU 44 HA LEU 44 -5.141 2.902 -9.741 305 HB2 LEU 44 1HB LEU 44 -6.434 2.868 -11.882 306 HB3 LEU 44 2HB LEU 44 -7.278 4.312 -11.328 307 HG LEU 44 HG LEU 44 -5.008 5.432 -11.216 308 HD11 LEU 44 1HD1 LEU 44 -4.234 2.978 -12.786 309 HD12 LEU 44 2HD1 LEU 44 -3.607 3.464 -11.212 310 HD13 LEU 44 3HD1 LEU 44 -3.258 4.439 -12.639 311 HD21 LEU 44 3HD2 LEU 44 -4.913 5.434 -13.859 312 HD22 LEU 44 1HD2 LEU 44 -6.227 6.212 -12.977 313 HD23 LEU 44 2HD2 LEU 44 -6.461 4.608 -13.673 314 H LYS 45 H LYS 45 -8.200 4.598 -9.115 315 HA LYS 45 HA LYS 45 -7.239 7.055 -8.326 316 HB2 LYS 45 1HB LYS 45 -9.522 7.068 -8.381 317 HB3 LYS 45 2HB LYS 45 -9.656 5.456 -7.690 318 HG2 LYS 45 1HG LYS 45 -10.553 6.970 -6.109 319 HG3 LYS 45 2HG LYS 45 -8.985 6.448 -5.487 320 HD2 LYS 45 1HD LYS 45 -8.709 8.673 -5.167 321 HD3 LYS 45 2HD LYS 45 -8.217 8.621 -6.861 322 HE2 LYS 45 1HE LYS 45 -11.103 8.977 -6.223 323 HE3 LYS 45 2HE LYS 45 -10.018 10.348 -5.999 324 HZ1 LYS 45 3HZ LYS 45 -10.222 8.807 -8.526 325 HZ2 LYS 45 1HZ LYS 45 -9.391 10.260 -8.277 326 HZ3 LYS 45 2HZ LYS 45 -11.082 10.232 -8.223 327 H CYS 46 H CYS 46 -7.048 4.021 -6.668 328 HA CYS 46 HA CYS 46 -6.229 5.290 -4.170 329 HB2 CYS 46 1HB CYS 46 -7.095 2.566 -4.978 330 HB3 CYS 46 2HB CYS 46 -5.949 2.672 -3.646 331 H ILE 47 H ILE 47 -4.943 2.551 -6.058 332 HA ILE 47 HA ILE 47 -2.430 2.387 -5.098 333 HB ILE 47 HB ILE 47 -3.167 2.244 -8.024 334 HG12 ILE 47 1HG1 ILE 47 -2.873 -0.003 -6.026 335 HG13 ILE 47 2HG1 ILE 47 -4.417 0.744 -6.418 336 HG21 ILE 47 1HG2 ILE 47 -1.156 0.659 -8.045 337 HG22 ILE 47 2HG2 ILE 47 -0.836 2.391 -7.994 338 HG23 ILE 47 3HG2 ILE 47 -0.702 1.427 -6.524 339 HD11 ILE 47 3HD1 ILE 47 -2.984 -1.310 -7.802 340 HD12 ILE 47 1HD1 ILE 47 -4.622 -0.713 -8.065 341 HD13 ILE 47 2HD1 ILE 47 -3.259 0.066 -8.869 342 H THR 48 H THR 48 -3.539 4.740 -7.501 343 HA THR 48 HA THR 48 -0.987 5.943 -7.884 344 HB THR 48 HB THR 48 -3.738 7.065 -8.449 345 HG1 THR 48 1HG THR 48 -2.817 6.445 -10.683 346 HG21 THR 48 3HG2 THR 48 -1.161 8.284 -8.556 347 HG22 THR 48 1HG2 THR 48 -2.721 8.963 -9.016 348 HG23 THR 48 2HG2 THR 48 -1.759 8.081 -10.202 349 H GLN 49 H GLN 49 -3.739 6.620 -5.787 350 HA GLN 49 HA GLN 49 -2.821 9.115 -4.824 351 HB2 GLN 49 1HB GLN 49 -5.126 8.584 -4.539 352 HB3 GLN 49 2HB GLN 49 -4.746 7.084 -3.702 353 HG2 GLN 49 1HG GLN 49 -3.909 9.718 -2.563 354 HG3 GLN 49 2HG GLN 49 -5.551 9.115 -2.341 355 HE21 GLN 49 1HE2 GLN 49 -3.087 9.525 -0.574 356 HE22 GLN 49 2HE2 GLN 49 -2.975 8.045 0.310 357 H ILE 50 H ILE 50 -2.657 5.847 -3.419 358 HA ILE 50 HA ILE 50 -1.336 6.411 -1.073 359 HB ILE 50 HB ILE 50 -0.844 4.004 -2.831 360 HG12 ILE 50 1HG1 ILE 50 -2.711 3.989 -0.501 361 HG13 ILE 50 2HG1 ILE 50 -3.266 4.711 -2.008 362 HG21 ILE 50 1HG2 ILE 50 0.678 3.500 -1.281 363 HG22 ILE 50 2HG2 ILE 50 0.133 4.793 -0.213 364 HG23 ILE 50 3HG2 ILE 50 -0.681 3.229 -0.190 365 HD11 ILE 50 3HD1 ILE 50 -3.762 2.704 -2.775 366 HD12 ILE 50 1HD1 ILE 50 -2.071 2.224 -2.631 367 HD13 ILE 50 2HD1 ILE 50 -3.177 1.979 -1.278 368 H GLY 51 H GLY 51 0.136 5.691 -4.238 369 HA2 GLY 51 1HA GLY 51 2.766 5.644 -3.796 370 HA3 GLY 51 2HA GLY 51 2.097 6.590 -5.117 371 H GLU 52 H GLU 52 3.899 6.681 -2.278 372 HA GLU 52 HA GLU 52 3.334 9.368 -1.483 373 HB2 GLU 52 1HB GLU 52 5.694 7.584 -0.857 374 HB3 GLU 52 2HB GLU 52 5.366 9.127 -0.082 375 HG2 GLU 52 1HG GLU 52 4.492 7.687 1.454 376 HG3 GLU 52 2HG GLU 52 3.065 8.021 0.474 377 H THR 53 H THR 53 5.557 10.748 -1.217 378 HA THR 53 HA THR 53 6.193 11.519 -3.919 379 HB THR 53 HB THR 53 5.832 13.249 -2.235 380 HG1 THR 53 1HG THR 53 8.500 13.090 -3.228 381 HG21 THR 53 3HG2 THR 53 8.345 12.215 -0.917 382 HG22 THR 53 1HG2 THR 53 6.711 11.987 -0.296 383 HG23 THR 53 2HG2 THR 53 7.392 13.610 -0.413 384 H SER 54 H SER 54 7.124 8.962 -3.492 385 HA SER 54 HA SER 54 10.043 9.363 -3.427 386 HB2 SER 54 1HB SER 54 10.273 7.077 -2.564 387 HB3 SER 54 2HB SER 54 9.278 8.054 -1.484 388 HG SER 54 HG SER 54 7.437 7.089 -2.440 389 H CYS 55 H CYS 55 11.151 7.387 -4.554 390 HA CYS 55 HA CYS 55 10.303 7.445 -7.277 391 HB2 CYS 55 1HB CYS 55 12.508 5.993 -5.824 392 HB3 CYS 55 2HB CYS 55 12.212 5.754 -7.541 393 HG CYS 55 HG CYS 55 12.554 8.953 -6.538 394 H GLY 56 H GLY 56 8.217 6.513 -7.247 395 HA2 GLY 56 1HA GLY 56 6.656 4.797 -7.108 396 HA3 GLY 56 2HA GLY 56 7.860 3.999 -8.109 397 H PHE 57 H PHE 57 7.378 4.763 -4.657 398 HA PHE 57 HA PHE 57 7.977 1.949 -4.054 399 HB2 PHE 57 1HB PHE 57 9.132 4.397 -2.721 400 HB3 PHE 57 2HB PHE 57 9.149 2.808 -1.963 401 HD1 PHE 57 1HD PHE 57 9.823 0.991 -4.070 402 HD2 PHE 57 2HD PHE 57 11.267 4.933 -3.369 403 HE1 PHE 57 1HE PHE 57 11.899 0.441 -5.270 404 HE2 PHE 57 2HE PHE 57 13.345 4.390 -4.569 405 HZ PHE 57 HZ PHE 57 13.663 2.141 -5.523 406 H PHE 58 H PHE 58 5.758 1.562 -3.794 407 HA PHE 58 HA PHE 58 4.669 2.604 -1.275 408 HB2 PHE 58 1HB PHE 58 2.580 3.127 -2.185 409 HB3 PHE 58 2HB PHE 58 3.704 3.712 -3.408 410 HD1 PHE 58 1HD PHE 58 4.026 2.444 -5.497 411 HD2 PHE 58 2HD PHE 58 1.068 1.356 -2.637 412 HE1 PHE 58 1HE PHE 58 2.894 1.070 -7.196 413 HE2 PHE 58 2HE PHE 58 -0.068 -0.021 -4.331 414 HZ PHE 58 HZ PHE 58 0.845 -0.166 -6.613 415 H LYS 59 H LYS 59 4.031 1.034 0.042 416 HA LYS 59 HA LYS 59 4.005 -1.701 -0.892 417 HB2 LYS 59 1HB LYS 59 3.691 -2.272 1.480 418 HB3 LYS 59 2HB LYS 59 5.051 -1.182 1.247 419 HG2 LYS 59 1HG LYS 59 4.074 -0.190 3.040 420 HG3 LYS 59 2HG LYS 59 3.218 0.650 1.745 421 HD2 LYS 59 1HD LYS 59 1.504 0.010 3.180 422 HD3 LYS 59 2HD LYS 59 1.493 -1.262 1.956 423 HE2 LYS 59 1HE LYS 59 1.354 -2.422 3.977 424 HE3 LYS 59 2HE LYS 59 3.059 -2.531 3.541 425 HZ1 LYS 59 3HZ LYS 59 2.190 -1.756 5.935 426 HZ2 LYS 59 1HZ LYS 59 2.327 -0.250 5.177 427 HZ3 LYS 59 2HZ LYS 59 3.672 -1.271 5.280 428 H CYS 60 H CYS 60 2.191 -3.126 0.154 429 HA CYS 60 HA CYS 60 -0.337 -2.025 -0.811 430 HB2 CYS 60 1HB CYS 60 0.225 -4.157 -1.751 431 HB3 CYS 60 2HB CYS 60 0.548 -4.838 -0.160 432 HA PRO 61 HA PRO 61 -1.869 -1.362 3.274 433 HB2 PRO 61 1HB PRO 61 -4.512 -1.221 2.671 434 HB3 PRO 61 2HB PRO 61 -3.372 0.079 2.303 435 HG2 PRO 61 1HG PRO 61 -4.457 -2.055 0.505 436 HG3 PRO 61 2HG PRO 61 -4.223 -0.328 0.177 437 HD2 PRO 61 1HD PRO 61 -2.491 -2.222 -0.685 438 HD3 PRO 61 2HD PRO 61 -1.971 -0.584 -0.241 439 H LEU 62 H LEU 62 -3.479 -3.793 1.239 440 HA LEU 62 HA LEU 62 -4.765 -5.165 3.339 441 HB2 LEU 62 1HB LEU 62 -3.981 -5.910 0.545 442 HB3 LEU 62 2HB LEU 62 -4.706 -7.095 1.628 443 HG LEU 62 HG LEU 62 -5.990 -4.501 0.775 444 HD11 LEU 62 1HD1 LEU 62 -6.061 -5.786 -1.143 445 HD12 LEU 62 2HD1 LEU 62 -7.570 -6.227 -0.343 446 HD13 LEU 62 3HD1 LEU 62 -6.175 -7.303 -0.249 447 HD21 LEU 62 3HD2 LEU 62 -7.996 -6.003 1.703 448 HD22 LEU 62 1HD2 LEU 62 -7.082 -4.890 2.721 449 HD23 LEU 62 2HD2 LEU 62 -6.694 -6.611 2.726 450 H CYS 63 H CYS 63 -1.667 -5.729 1.700 451 HA CYS 63 HA CYS 63 -0.830 -7.332 4.017 452 HB2 CYS 63 1HB CYS 63 0.271 -8.941 2.587 453 HB3 CYS 63 2HB CYS 63 -1.422 -8.828 2.117 454 H LYS 64 H LYS 64 1.398 -7.279 4.492 455 HA LYS 64 HA LYS 64 2.709 -4.848 3.574 456 HB2 LYS 64 1HB LYS 64 2.685 -5.187 5.954 457 HB3 LYS 64 2HB LYS 64 3.351 -6.805 5.782 458 HG2 LYS 64 1HG LYS 64 5.237 -5.696 6.373 459 HG3 LYS 64 2HG LYS 64 5.323 -5.473 4.624 460 HD2 LYS 64 1HD LYS 64 5.657 -3.317 5.319 461 HD3 LYS 64 2HD LYS 64 3.897 -3.322 5.174 462 HE2 LYS 64 1HE LYS 64 4.248 -2.352 7.254 463 HE3 LYS 64 2HE LYS 64 3.924 -4.038 7.654 464 HZ1 LYS 64 3HZ LYS 64 6.683 -3.046 7.286 465 HZ2 LYS 64 1HZ LYS 64 6.161 -4.439 8.092 466 HZ3 LYS 64 2HZ LYS 64 5.893 -2.916 8.776 467 H THR 65 H THR 65 3.161 -5.634 1.425 468 HA THR 65 HA THR 65 5.375 -7.577 1.325 469 HB THR 65 HB THR 65 3.578 -6.783 -0.971 470 HG1 THR 65 1HG THR 65 2.413 -8.621 -0.532 471 HG21 THR 65 3HG2 THR 65 6.036 -8.113 -0.906 472 HG22 THR 65 1HG2 THR 65 4.904 -8.036 -2.255 473 HG23 THR 65 2HG2 THR 65 4.828 -9.380 -1.115 474 H SER 66 H SER 66 7.277 -6.588 1.188 475 HA SER 66 HA SER 66 7.559 -3.926 0.163 476 HB2 SER 66 1HB SER 66 9.461 -5.982 1.252 477 HB3 SER 66 2HB SER 66 10.074 -4.528 0.464 478 HG SER 66 HG SER 66 9.451 -4.686 2.927 479 H VAL 67 H VAL 67 7.244 -3.686 -1.974 480 HA VAL 67 HA VAL 67 8.903 -5.328 -3.773 481 HB VAL 67 HB VAL 67 7.144 -5.146 -5.491 482 HG11 VAL 67 1HG1 VAL 67 6.932 -7.200 -4.551 483 HG12 VAL 67 2HG1 VAL 67 6.747 -6.557 -2.918 484 HG13 VAL 67 3HG1 VAL 67 5.384 -6.530 -4.037 485 HG21 VAL 67 3HG2 VAL 67 4.886 -4.550 -3.890 486 HG22 VAL 67 1HG2 VAL 67 6.061 -3.255 -3.660 487 HG23 VAL 67 2HG2 VAL 67 5.504 -3.663 -5.284 488 H ARG 68 H ARG 68 10.117 -4.244 -5.211 489 HA ARG 68 HA ARG 68 9.978 -1.326 -5.162 490 HB2 ARG 68 1HB ARG 68 12.081 -3.264 -6.123 491 HB3 ARG 68 2HB ARG 68 12.184 -1.532 -6.408 492 HG2 ARG 68 1HG ARG 68 12.244 -1.099 -4.039 493 HG3 ARG 68 2HG ARG 68 11.996 -2.811 -3.690 494 HD2 ARG 68 1HD ARG 68 14.141 -3.165 -5.088 495 HD3 ARG 68 2HD ARG 68 14.408 -1.442 -4.825 496 HE ARG 68 HE ARG 68 14.010 -2.278 -2.332 497 HH11 ARG 68 2HH1 ARG 68 15.954 -3.623 -4.887 498 HH12 ARG 68 1HH1 ARG 68 17.125 -4.311 -3.811 499 HH21 ARG 68 2HH2 ARG 68 15.545 -3.178 -0.905 500 HH22 ARG 68 1HH2 ARG 68 16.891 -4.058 -1.546 501 H LYS 69 H LYS 69 9.501 -0.089 -6.903 502 HA LYS 69 HA LYS 69 8.258 -1.395 -9.159 503 HB2 LYS 69 1HB LYS 69 7.496 0.769 -7.932 504 HB3 LYS 69 2HB LYS 69 8.697 1.568 -8.938 505 HG2 LYS 69 1HG LYS 69 7.549 1.088 -10.905 506 HG3 LYS 69 2HG LYS 69 6.596 -0.190 -10.147 507 HD2 LYS 69 1HD LYS 69 5.753 1.813 -8.646 508 HD3 LYS 69 2HD LYS 69 6.242 2.765 -10.050 509 HE2 LYS 69 1HE LYS 69 3.903 2.180 -10.232 510 HE3 LYS 69 2HE LYS 69 4.826 1.338 -11.476 511 HZ1 LYS 69 3HZ LYS 69 3.062 0.101 -9.993 512 HZ2 LYS 69 1HZ LYS 69 4.377 -0.046 -8.939 513 HZ3 LYS 69 2HZ LYS 69 4.476 -0.672 -10.507 514 H ASN 70 H ASN 70 10.988 -1.961 -9.038 515 HA ASN 70 HA ASN 70 12.276 -0.262 -11.026 516 HB2 ASN 70 1HB ASN 70 13.255 -2.570 -9.345 517 HB3 ASN 70 2HB ASN 70 14.232 -1.841 -10.616 518 HD21 ASN 70 1HD2 ASN 70 14.406 0.594 -10.449 519 HD22 ASN 70 2HD2 ASN 70 14.677 1.237 -8.869 520 H ALA 71 H ALA 71 11.762 -3.769 -10.600 521 HA ALA 71 HA ALA 71 12.361 -4.445 -13.268 522 HB1 ALA 71 3HB ALA 71 11.465 -5.806 -10.891 523 HB2 ALA 71 1HB ALA 71 10.626 -6.410 -12.320 524 HB3 ALA 71 2HB ALA 71 12.389 -6.424 -12.260 525 H ILE 72 H ILE 72 10.627 -5.710 -14.603 526 HA ILE 72 HA ILE 72 8.832 -3.873 -15.659 527 HB ILE 72 HB ILE 72 9.585 -5.844 -16.898 528 HG12 ILE 72 1HG1 ILE 72 6.586 -5.996 -16.613 529 HG13 ILE 72 2HG1 ILE 72 7.388 -4.635 -17.388 530 HG21 ILE 72 1HG2 ILE 72 9.202 -7.296 -14.726 531 HG22 ILE 72 2HG2 ILE 72 7.642 -7.598 -15.489 532 HG23 ILE 72 3HG2 ILE 72 9.133 -8.012 -16.336 533 HD11 ILE 72 3HD1 ILE 72 8.214 -7.256 -18.390 534 HD12 ILE 72 1HD1 ILE 72 6.517 -6.861 -18.662 535 HD13 ILE 72 2HD1 ILE 72 7.780 -5.785 -19.262 536 H ARG 73 H ARG 73 6.557 -3.713 -15.592 537 HA ARG 73 HA ARG 73 5.335 -3.540 -13.184 538 HB2 ARG 73 1HB ARG 73 4.511 -2.998 -15.642 539 HB3 ARG 73 2HB ARG 73 3.654 -4.521 -15.446 540 HG2 ARG 73 1HG ARG 73 3.436 -2.405 -13.351 541 HG3 ARG 73 2HG ARG 73 2.483 -2.295 -14.832 542 HD2 ARG 73 1HD ARG 73 2.504 -4.637 -12.932 543 HD3 ARG 73 2HD ARG 73 1.254 -3.396 -13.008 544 HE ARG 73 HE ARG 73 1.715 -4.741 -15.508 545 HH11 ARG 73 2HH1 ARG 73 -0.019 -4.809 -12.491 546 HH12 ARG 73 1HH1 ARG 73 -1.308 -5.791 -13.103 547 HH21 ARG 73 2HH2 ARG 73 0.025 -6.035 -16.327 548 HH22 ARG 73 1HH2 ARG 73 -1.281 -6.489 -15.285 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -6.181 11.896 -24.878 2 HA2 GLY 1 1HA GLY 1 -7.652 13.860 -23.295 3 HA3 GLY 1 2HA GLY 1 -8.085 13.280 -24.897 4 H SER 2 H SER 2 -10.008 13.515 -22.968 5 HA SER 2 HA SER 2 -10.422 11.073 -21.544 6 HB2 SER 2 1HB SER 2 -12.417 13.244 -22.232 7 HB3 SER 2 2HB SER 2 -12.626 11.989 -21.011 8 HG SER 2 HG SER 2 -10.567 12.936 -20.127 9 H SER 3 H SER 3 -10.199 9.479 -23.180 10 HA SER 3 HA SER 3 -12.106 9.433 -25.361 11 HB2 SER 3 1HB SER 3 -10.031 7.392 -24.525 12 HB3 SER 3 2HB SER 3 -10.971 7.347 -26.016 13 HG SER 3 HG SER 3 -10.010 9.516 -26.392 14 H GLY 4 H GLY 4 -13.852 8.096 -25.563 15 HA2 GLY 4 1HA GLY 4 -14.650 5.821 -24.529 16 HA3 GLY 4 2HA GLY 4 -14.753 6.818 -23.085 17 H SER 5 H SER 5 -15.542 7.666 -26.434 18 HA SER 5 HA SER 5 -18.385 7.713 -25.773 19 HB2 SER 5 1HB SER 5 -16.958 10.142 -26.883 20 HB3 SER 5 2HB SER 5 -18.681 10.007 -26.529 21 HG SER 5 HG SER 5 -16.852 10.854 -24.908 22 H SER 6 H SER 6 -19.508 6.847 -27.380 23 HA SER 6 HA SER 6 -18.452 7.058 -30.120 24 HB2 SER 6 1HB SER 6 -19.235 4.755 -30.550 25 HB3 SER 6 2HB SER 6 -18.008 4.800 -29.284 26 HG SER 6 HG SER 6 -20.190 5.042 -27.971 27 H GLY 7 H GLY 7 -20.266 6.276 -31.717 28 HA2 GLY 7 1HA GLY 7 -22.403 8.124 -31.463 29 HA3 GLY 7 2HA GLY 7 -22.246 6.893 -32.707 30 H MET 8 H MET 8 -24.720 7.267 -32.029 31 HA MET 8 HA MET 8 -25.902 6.249 -29.816 32 HB2 MET 8 1HB MET 8 -27.807 5.602 -31.220 33 HB3 MET 8 2HB MET 8 -27.166 7.170 -31.692 34 HG2 MET 8 1HG MET 8 -27.440 6.230 -33.739 35 HG3 MET 8 2HG MET 8 -25.787 5.723 -33.397 36 HE1 MET 8 3HE MET 8 -26.652 2.730 -35.264 37 HE2 MET 8 1HE MET 8 -28.079 3.729 -35.543 38 HE3 MET 8 2HE MET 8 -26.484 4.476 -35.451 39 H ALA 9 H ALA 9 -26.213 4.314 -28.861 40 HA ALA 9 HA ALA 9 -25.491 1.875 -30.315 41 HB1 ALA 9 3HB ALA 9 -24.388 2.609 -27.606 42 HB2 ALA 9 1HB ALA 9 -24.176 1.055 -28.414 43 HB3 ALA 9 2HB ALA 9 -23.479 2.517 -29.114 44 H SER 10 H SER 10 -26.299 -0.084 -29.311 45 HA SER 10 HA SER 10 -28.487 0.364 -27.398 46 HB2 SER 10 1HB SER 10 -29.608 0.202 -29.499 47 HB3 SER 10 2HB SER 10 -28.611 -1.163 -30.002 48 HG SER 10 HG SER 10 -30.756 -1.721 -29.241 49 H GLY 11 H GLY 11 -27.718 -0.637 -25.632 50 HA2 GLY 11 1HA GLY 11 -27.465 -3.494 -25.658 51 HA3 GLY 11 2HA GLY 11 -25.918 -2.692 -25.431 52 H GLN 12 H GLN 12 -27.860 -4.348 -23.696 53 HA GLN 12 HA GLN 12 -28.120 -2.461 -21.461 54 HB2 GLN 12 1HB GLN 12 -30.170 -3.646 -22.102 55 HB3 GLN 12 2HB GLN 12 -29.364 -5.188 -21.851 56 HG2 GLN 12 1HG GLN 12 -30.879 -4.452 -20.004 57 HG3 GLN 12 2HG GLN 12 -29.232 -4.847 -19.517 58 HE21 GLN 12 1HE2 GLN 12 -28.624 -3.549 -17.949 59 HE22 GLN 12 2HE2 GLN 12 -28.901 -1.845 -17.869 60 H PHE 13 H PHE 13 -27.066 -5.790 -22.153 61 HA PHE 13 HA PHE 13 -25.001 -5.493 -20.100 62 HB2 PHE 13 1HB PHE 13 -25.491 -7.785 -19.255 63 HB3 PHE 13 2HB PHE 13 -26.789 -6.639 -18.943 64 HD1 PHE 13 2HD PHE 13 -25.748 -9.523 -20.962 65 HD2 PHE 13 1HD PHE 13 -28.937 -6.891 -19.952 66 HE1 PHE 13 2HE PHE 13 -27.343 -11.039 -22.063 67 HE2 PHE 13 1HE PHE 13 -30.537 -8.403 -21.050 68 HZ PHE 13 HZ PHE 13 -29.741 -10.480 -22.109 69 H VAL 14 H VAL 14 -23.257 -7.048 -20.300 70 HA VAL 14 HA VAL 14 -22.930 -7.945 -23.083 71 HB VAL 14 HB VAL 14 -20.823 -7.312 -21.012 72 HG11 VAL 14 1HG1 VAL 14 -20.266 -9.159 -22.632 73 HG12 VAL 14 2HG1 VAL 14 -20.396 -7.959 -23.920 74 HG13 VAL 14 3HG1 VAL 14 -19.178 -7.771 -22.658 75 HG21 VAL 14 3HG2 VAL 14 -21.592 -5.858 -23.542 76 HG22 VAL 14 1HG2 VAL 14 -21.961 -5.333 -21.899 77 HG23 VAL 14 2HG2 VAL 14 -20.286 -5.413 -22.444 78 H ASN 15 H ASN 15 -21.853 -8.880 -19.809 79 HA ASN 15 HA ASN 15 -21.736 -11.668 -20.692 80 HB2 ASN 15 1HB ASN 15 -19.781 -10.655 -19.502 81 HB3 ASN 15 2HB ASN 15 -20.797 -10.480 -18.074 82 HD21 ASN 15 1HD2 ASN 15 -19.766 -11.857 -16.738 83 HD22 ASN 15 2HD2 ASN 15 -19.620 -13.555 -17.017 84 H LYS 16 H LYS 16 -22.856 -13.319 -19.663 85 HA LYS 16 HA LYS 16 -25.332 -12.497 -18.400 86 HB2 LYS 16 1HB LYS 16 -24.282 -15.163 -19.344 87 HB3 LYS 16 2HB LYS 16 -25.813 -14.992 -18.498 88 HG2 LYS 16 1HG LYS 16 -26.564 -14.910 -20.636 89 HG3 LYS 16 2HG LYS 16 -26.242 -13.192 -20.388 90 HD2 LYS 16 1HD LYS 16 -25.273 -13.706 -22.469 91 HD3 LYS 16 2HD LYS 16 -23.922 -13.656 -21.333 92 HE2 LYS 16 1HE LYS 16 -24.347 -16.205 -21.112 93 HE3 LYS 16 2HE LYS 16 -25.223 -16.020 -22.631 94 HZ1 LYS 16 3HZ LYS 16 -23.328 -15.898 -23.753 95 HZ2 LYS 16 1HZ LYS 16 -22.526 -16.379 -22.343 96 HZ3 LYS 16 2HZ LYS 16 -22.679 -14.735 -22.710 97 H LEU 17 H LEU 17 -23.102 -11.954 -16.810 98 HA LEU 17 HA LEU 17 -23.805 -13.454 -14.441 99 HB2 LEU 17 1HB LEU 17 -22.003 -14.781 -15.537 100 HB3 LEU 17 2HB LEU 17 -20.937 -13.388 -15.363 101 HG LEU 17 HG LEU 17 -21.145 -13.565 -12.913 102 HD11 LEU 17 1HD1 LEU 17 -23.020 -15.746 -13.671 103 HD12 LEU 17 2HD1 LEU 17 -23.132 -14.556 -12.374 104 HD13 LEU 17 3HD1 LEU 17 -22.045 -15.936 -12.214 105 HD21 LEU 17 3HD2 LEU 17 -20.246 -16.082 -14.312 106 HD22 LEU 17 1HD2 LEU 17 -19.813 -15.615 -12.667 107 HD23 LEU 17 2HD2 LEU 17 -19.277 -14.635 -14.032 108 H GLN 18 H GLN 18 -23.174 -12.427 -12.502 109 HA GLN 18 HA GLN 18 -22.262 -9.650 -12.872 110 HB2 GLN 18 1HB GLN 18 -24.136 -10.801 -10.799 111 HB3 GLN 18 2HB GLN 18 -23.536 -9.148 -10.785 112 HG2 GLN 18 1HG GLN 18 -25.543 -8.827 -11.797 113 HG3 GLN 18 2HG GLN 18 -24.535 -9.113 -13.214 114 HE21 GLN 18 1HE2 GLN 18 -25.193 -10.599 -14.595 115 HE22 GLN 18 2HE2 GLN 18 -26.355 -11.836 -14.276 116 H GLU 19 H GLU 19 -20.062 -10.274 -12.641 117 HA GLU 19 HA GLU 19 -19.318 -10.862 -9.854 118 HB2 GLU 19 1HB GLU 19 -18.256 -12.038 -12.399 119 HB3 GLU 19 2HB GLU 19 -17.216 -11.917 -10.987 120 HG2 GLU 19 1HG GLU 19 -19.809 -13.422 -11.209 121 HG3 GLU 19 2HG GLU 19 -18.189 -14.099 -11.051 122 H GLU 20 H GLU 20 -19.059 -8.639 -9.447 123 HA GLU 20 HA GLU 20 -16.812 -7.369 -10.868 124 HB2 GLU 20 1HB GLU 20 -19.110 -6.088 -9.379 125 HB3 GLU 20 2HB GLU 20 -17.767 -5.212 -10.100 126 HG2 GLU 20 1HG GLU 20 -19.350 -7.037 -11.827 127 HG3 GLU 20 2HG GLU 20 -20.063 -5.498 -11.349 128 H VAL 21 H VAL 21 -15.368 -6.038 -9.601 129 HA VAL 21 HA VAL 21 -15.185 -6.918 -6.792 130 HB VAL 21 HB VAL 21 -12.881 -6.237 -8.623 131 HG11 VAL 21 1HG1 VAL 21 -11.793 -7.587 -6.568 132 HG12 VAL 21 2HG1 VAL 21 -11.933 -5.828 -6.612 133 HG13 VAL 21 3HG1 VAL 21 -13.125 -6.788 -5.734 134 HG21 VAL 21 3HG2 VAL 21 -13.123 -8.303 -9.425 135 HG22 VAL 21 1HG2 VAL 21 -12.662 -8.887 -7.826 136 HG23 VAL 21 2HG2 VAL 21 -14.366 -8.693 -8.236 137 H ILE 22 H ILE 22 -14.634 -5.414 -5.242 138 HA ILE 22 HA ILE 22 -14.574 -2.609 -6.148 139 HB ILE 22 HB ILE 22 -15.665 -3.618 -3.521 140 HG12 ILE 22 1HG1 ILE 22 -17.251 -2.545 -5.854 141 HG13 ILE 22 2HG1 ILE 22 -16.978 -4.266 -5.603 142 HG21 ILE 22 1HG2 ILE 22 -14.812 -1.361 -3.380 143 HG22 ILE 22 2HG2 ILE 22 -15.720 -0.898 -4.818 144 HG23 ILE 22 3HG2 ILE 22 -16.575 -1.332 -3.338 145 HD11 ILE 22 3HD1 ILE 22 -18.191 -2.553 -3.470 146 HD12 ILE 22 1HD1 ILE 22 -19.164 -3.254 -4.763 147 HD13 ILE 22 2HD1 ILE 22 -18.266 -4.304 -3.665 148 H CYS 23 H CYS 23 -13.346 -1.121 -4.863 149 HA CYS 23 HA CYS 23 -10.852 -2.230 -3.987 150 HB2 CYS 23 1HB CYS 23 -10.999 -0.077 -5.200 151 HB3 CYS 23 2HB CYS 23 -11.850 0.622 -3.826 152 HA PRO 24 HA PRO 24 -12.183 -2.794 0.231 153 HB2 PRO 24 1HB PRO 24 -9.798 -3.714 1.145 154 HB3 PRO 24 2HB PRO 24 -10.918 -4.712 0.211 155 HG2 PRO 24 1HG PRO 24 -8.473 -3.247 -0.704 156 HG3 PRO 24 2HG PRO 24 -9.018 -4.882 -1.119 157 HD2 PRO 24 1HD PRO 24 -9.385 -2.763 -2.764 158 HD3 PRO 24 2HD PRO 24 -10.529 -4.117 -2.682 159 H ILE 25 H ILE 25 -10.329 -0.405 -1.033 160 HA ILE 25 HA ILE 25 -9.428 0.631 1.561 161 HB ILE 25 HB ILE 25 -8.783 1.607 -1.224 162 HG12 ILE 25 1HG1 ILE 25 -6.999 0.186 0.759 163 HG13 ILE 25 2HG1 ILE 25 -7.822 -0.622 -0.570 164 HG21 ILE 25 1HG2 ILE 25 -7.915 2.532 1.499 165 HG22 ILE 25 2HG2 ILE 25 -6.986 2.883 0.042 166 HG23 ILE 25 3HG2 ILE 25 -8.640 3.476 0.197 167 HD11 ILE 25 3HD1 ILE 25 -5.462 1.141 -0.588 168 HD12 ILE 25 1HD1 ILE 25 -5.848 -0.259 -1.589 169 HD13 ILE 25 2HD1 ILE 25 -6.583 1.306 -1.939 170 H CYS 26 H CYS 26 -11.017 1.842 -1.398 171 HA CYS 26 HA CYS 26 -12.325 3.907 0.229 172 HB2 CYS 26 1HB CYS 26 -12.857 4.953 -1.992 173 HB3 CYS 26 2HB CYS 26 -11.137 4.835 -1.636 174 H LEU 27 H LEU 27 -12.908 0.976 -1.407 175 HA LEU 27 HA LEU 27 -14.781 -0.300 -1.625 176 HB2 LEU 27 1HB LEU 27 -16.336 1.850 -0.221 177 HB3 LEU 27 2HB LEU 27 -16.677 0.122 -0.294 178 HG LEU 27 HG LEU 27 -14.346 1.338 1.184 179 HD11 LEU 27 1HD1 LEU 27 -16.738 0.152 2.516 180 HD12 LEU 27 2HD1 LEU 27 -16.778 1.832 1.980 181 HD13 LEU 27 3HD1 LEU 27 -15.557 1.305 3.139 182 HD21 LEU 27 3HD2 LEU 27 -15.414 -1.439 0.854 183 HD22 LEU 27 1HD2 LEU 27 -14.527 -0.983 2.308 184 HD23 LEU 27 2HD2 LEU 27 -13.753 -0.857 0.728 185 H ASP 28 H ASP 28 -14.077 1.180 -3.771 186 HA ASP 28 HA ASP 28 -16.680 2.004 -4.876 187 HB2 ASP 28 1HB ASP 28 -15.318 3.997 -4.547 188 HB3 ASP 28 2HB ASP 28 -13.981 3.256 -5.424 189 H ILE 29 H ILE 29 -17.164 1.315 -6.927 190 HA ILE 29 HA ILE 29 -16.322 -1.077 -7.867 191 HB ILE 29 HB ILE 29 -17.168 1.260 -9.584 192 HG12 ILE 29 1HG1 ILE 29 -18.855 -1.027 -8.565 193 HG13 ILE 29 2HG1 ILE 29 -18.714 0.505 -7.710 194 HG21 ILE 29 1HG2 ILE 29 -16.971 -1.684 -10.171 195 HG22 ILE 29 2HG2 ILE 29 -17.926 -0.567 -11.144 196 HG23 ILE 29 3HG2 ILE 29 -16.180 -0.353 -11.014 197 HD11 ILE 29 3HD1 ILE 29 -20.666 0.000 -9.426 198 HD12 ILE 29 1HD1 ILE 29 -19.989 1.615 -9.214 199 HD13 ILE 29 2HD1 ILE 29 -19.469 0.611 -10.568 200 H LEU 30 H LEU 30 -14.317 -1.759 -8.235 201 HA LEU 30 HA LEU 30 -12.125 -0.131 -8.869 202 HB2 LEU 30 1HB LEU 30 -12.672 -3.044 -8.844 203 HB3 LEU 30 2HB LEU 30 -11.255 -2.496 -9.738 204 HG LEU 30 HG LEU 30 -11.620 -1.591 -6.919 205 HD11 LEU 30 1HD1 LEU 30 -11.832 -3.747 -6.292 206 HD12 LEU 30 2HD1 LEU 30 -10.088 -3.762 -6.548 207 HD13 LEU 30 3HD1 LEU 30 -11.168 -4.369 -7.803 208 HD21 LEU 30 3HD2 LEU 30 -9.001 -2.312 -7.391 209 HD22 LEU 30 1HD2 LEU 30 -9.665 -0.681 -7.488 210 HD23 LEU 30 2HD2 LEU 30 -9.535 -1.668 -8.944 211 H GLN 31 H GLN 31 -12.844 1.182 -10.620 212 HA GLN 31 HA GLN 31 -13.771 0.298 -13.080 213 HB2 GLN 31 1HB GLN 31 -12.904 2.431 -13.985 214 HB3 GLN 31 2HB GLN 31 -13.794 2.646 -12.483 215 HG2 GLN 31 1HG GLN 31 -11.551 2.621 -11.312 216 HG3 GLN 31 2HG GLN 31 -10.827 2.759 -12.913 217 HE21 GLN 31 1HE2 GLN 31 -10.065 4.727 -11.564 218 HE22 GLN 31 2HE2 GLN 31 -10.982 6.172 -11.798 219 H LYS 32 H LYS 32 -10.437 0.721 -11.963 220 HA LYS 32 HA LYS 32 -9.560 -0.992 -14.184 221 HB2 LYS 32 1HB LYS 32 -8.477 1.689 -13.385 222 HB3 LYS 32 2HB LYS 32 -7.413 0.493 -14.113 223 HG2 LYS 32 1HG LYS 32 -8.631 0.482 -16.126 224 HG3 LYS 32 2HG LYS 32 -9.989 1.343 -15.398 225 HD2 LYS 32 1HD LYS 32 -8.869 2.969 -16.662 226 HD3 LYS 32 2HD LYS 32 -8.333 3.253 -15.004 227 HE2 LYS 32 1HE LYS 32 -6.421 3.370 -16.436 228 HE3 LYS 32 2HE LYS 32 -6.312 1.881 -15.498 229 HZ1 LYS 32 3HZ LYS 32 -5.956 1.959 -18.114 230 HZ2 LYS 32 1HZ LYS 32 -7.627 1.694 -18.088 231 HZ3 LYS 32 2HZ LYS 32 -6.586 0.604 -17.321 232 HA PRO 33 HA PRO 33 -8.028 -2.817 -10.293 233 HB2 PRO 33 1HB PRO 33 -8.007 -5.355 -11.255 234 HB3 PRO 33 2HB PRO 33 -9.462 -4.583 -10.612 235 HG2 PRO 33 1HG PRO 33 -8.604 -4.934 -13.459 236 HG3 PRO 33 2HG PRO 33 -10.211 -5.150 -12.740 237 HD2 PRO 33 1HD PRO 33 -9.517 -2.921 -14.110 238 HD3 PRO 33 2HD PRO 33 -10.659 -2.890 -12.751 239 H VAL 34 H VAL 34 -5.922 -2.788 -9.853 240 HA VAL 34 HA VAL 34 -4.023 -3.499 -11.993 241 HB VAL 34 HB VAL 34 -3.618 -1.630 -9.653 242 HG11 VAL 34 1HG1 VAL 34 -1.435 -1.148 -10.718 243 HG12 VAL 34 2HG1 VAL 34 -1.565 -2.804 -10.121 244 HG13 VAL 34 3HG1 VAL 34 -1.727 -2.472 -11.846 245 HG21 VAL 34 3HG2 VAL 34 -4.967 -1.036 -11.878 246 HG22 VAL 34 1HG2 VAL 34 -3.928 0.129 -11.056 247 HG23 VAL 34 2HG2 VAL 34 -3.330 -0.747 -12.466 248 H THR 35 H THR 35 -3.094 -5.404 -11.697 249 HA THR 35 HA THR 35 -2.997 -6.615 -9.062 250 HB THR 35 HB THR 35 -1.900 -7.789 -11.616 251 HG1 THR 35 1HG THR 35 -4.026 -8.805 -11.724 252 HG21 THR 35 3HG2 THR 35 -3.088 -9.194 -9.233 253 HG22 THR 35 1HG2 THR 35 -1.372 -8.808 -9.348 254 HG23 THR 35 2HG2 THR 35 -2.116 -9.882 -10.533 255 H ILE 36 H ILE 36 -1.437 -5.657 -7.844 256 HA ILE 36 HA ILE 36 1.141 -4.970 -8.883 257 HB ILE 36 HB ILE 36 1.731 -4.548 -6.496 258 HG12 ILE 36 1HG1 ILE 36 -1.164 -5.184 -5.917 259 HG13 ILE 36 2HG1 ILE 36 0.141 -6.330 -5.631 260 HG21 ILE 36 1HG2 ILE 36 0.895 -2.714 -7.735 261 HG22 ILE 36 2HG2 ILE 36 -0.761 -3.313 -7.641 262 HG23 ILE 36 3HG2 ILE 36 0.037 -2.698 -6.194 263 HD11 ILE 36 3HD1 ILE 36 -0.759 -4.767 -3.727 264 HD12 ILE 36 1HD1 ILE 36 0.954 -5.168 -3.850 265 HD13 ILE 36 2HD1 ILE 36 0.366 -3.617 -4.450 266 H ASP 37 H ASP 37 3.095 -5.753 -7.425 267 HA ASP 37 HA ASP 37 3.717 -8.338 -8.136 268 HB2 ASP 37 1HB ASP 37 5.421 -6.758 -7.431 269 HB3 ASP 37 2HB ASP 37 4.768 -6.737 -5.795 270 H CYS 38 H CYS 38 2.314 -7.189 -5.095 271 HA CYS 38 HA CYS 38 2.345 -9.658 -3.744 272 HB2 CYS 38 1HB CYS 38 1.157 -8.597 -2.082 273 HB3 CYS 38 2HB CYS 38 1.828 -7.202 -2.921 274 H GLY 39 H GLY 39 0.165 -8.295 -6.103 275 HA2 GLY 39 1HA GLY 39 -1.116 -9.856 -7.460 276 HA3 GLY 39 2HA GLY 39 -1.388 -10.803 -6.006 277 H HIS 40 H HIS 40 -2.213 -8.960 -4.194 278 HA HIS 40 HA HIS 40 -4.879 -8.721 -4.494 279 HB2 HIS 40 1HB HIS 40 -3.043 -6.722 -3.160 280 HB3 HIS 40 2HB HIS 40 -4.791 -6.758 -2.946 281 HD2 HIS 40 2HD HIS 40 -4.783 -10.170 -2.648 282 HE1 HIS 40 1HE HIS 40 -2.648 -9.199 0.888 283 HE2 HIS 40 2HE HIS 40 -3.883 -10.999 -0.369 284 H ASN 41 H ASN 41 -6.364 -7.223 -5.276 285 HA ASN 41 HA ASN 41 -5.306 -5.444 -7.363 286 HB2 ASN 41 1HB ASN 41 -7.939 -6.868 -7.043 287 HB3 ASN 41 2HB ASN 41 -7.757 -5.517 -8.158 288 HD21 ASN 41 1HD2 ASN 41 -6.624 -8.741 -7.373 289 HD22 ASN 41 2HD2 ASN 41 -6.060 -9.132 -8.959 290 H PHE 42 H PHE 42 -5.529 -3.307 -7.188 291 HA PHE 42 HA PHE 42 -7.466 -2.251 -5.241 292 HB2 PHE 42 1HB PHE 42 -4.612 -1.336 -5.652 293 HB3 PHE 42 2HB PHE 42 -5.799 -0.482 -4.672 294 HD1 PHE 42 1HD PHE 42 -6.822 -1.730 -2.699 295 HD2 PHE 42 2HD PHE 42 -3.325 -3.043 -4.740 296 HE1 PHE 42 1HE PHE 42 -6.210 -3.109 -0.756 297 HE2 PHE 42 2HE PHE 42 -2.708 -4.425 -2.800 298 HZ PHE 42 HZ PHE 42 -4.151 -4.460 -0.805 299 H CYS 43 H CYS 43 -7.605 0.262 -5.571 300 HA CYS 43 HA CYS 43 -8.125 0.666 -8.429 301 HB2 CYS 43 1HB CYS 43 -9.882 2.023 -7.860 302 HB3 CYS 43 2HB CYS 43 -9.847 0.995 -6.431 303 H LEU 44 H LEU 44 -7.128 2.213 -9.592 304 HA LEU 44 HA LEU 44 -4.686 3.226 -9.008 305 HB2 LEU 44 1HB LEU 44 -5.805 3.349 -11.206 306 HB3 LEU 44 2HB LEU 44 -6.796 4.675 -10.601 307 HG LEU 44 HG LEU 44 -4.647 5.957 -10.248 308 HD11 LEU 44 1HD1 LEU 44 -3.043 4.196 -10.247 309 HD12 LEU 44 2HD1 LEU 44 -2.742 5.190 -11.672 310 HD13 LEU 44 3HD1 LEU 44 -3.566 3.639 -11.836 311 HD21 LEU 44 3HD2 LEU 44 -5.587 6.868 -12.064 312 HD22 LEU 44 1HD2 LEU 44 -6.007 5.299 -12.750 313 HD23 LEU 44 2HD2 LEU 44 -4.383 5.950 -12.969 314 H LYS 45 H LYS 45 -7.668 5.168 -8.723 315 HA LYS 45 HA LYS 45 -6.779 7.450 -7.625 316 HB2 LYS 45 1HB LYS 45 -9.144 5.940 -6.502 317 HB3 LYS 45 2HB LYS 45 -8.888 7.680 -6.458 318 HG2 LYS 45 1HG LYS 45 -8.823 7.430 -9.063 319 HG3 LYS 45 2HG LYS 45 -9.707 5.938 -8.729 320 HD2 LYS 45 1HD LYS 45 -11.338 7.619 -9.092 321 HD3 LYS 45 2HD LYS 45 -11.298 7.332 -7.351 322 HE2 LYS 45 1HE LYS 45 -10.210 9.341 -6.921 323 HE3 LYS 45 2HE LYS 45 -9.620 9.488 -8.576 324 HZ1 LYS 45 3HZ LYS 45 -12.225 10.195 -7.463 325 HZ2 LYS 45 1HZ LYS 45 -12.200 9.594 -9.044 326 HZ3 LYS 45 2HZ LYS 45 -11.308 10.976 -8.651 327 H CYS 46 H CYS 46 -6.867 4.340 -6.033 328 HA CYS 46 HA CYS 46 -6.065 5.488 -3.480 329 HB2 CYS 46 1HB CYS 46 -7.010 2.832 -4.417 330 HB3 CYS 46 2HB CYS 46 -5.930 2.848 -3.027 331 H ILE 47 H ILE 47 -4.816 2.760 -5.408 332 HA ILE 47 HA ILE 47 -2.370 2.419 -4.348 333 HB ILE 47 HB ILE 47 -2.976 2.481 -7.306 334 HG12 ILE 47 1HG1 ILE 47 -2.828 0.118 -5.427 335 HG13 ILE 47 2HG1 ILE 47 -4.332 0.928 -5.850 336 HG21 ILE 47 1HG2 ILE 47 -1.014 0.891 -7.417 337 HG22 ILE 47 2HG2 ILE 47 -0.625 2.582 -7.108 338 HG23 ILE 47 3HG2 ILE 47 -0.611 1.418 -5.783 339 HD11 ILE 47 3HD1 ILE 47 -3.130 0.369 -8.287 340 HD12 ILE 47 1HD1 ILE 47 -2.841 -1.063 -7.299 341 HD13 ILE 47 2HD1 ILE 47 -4.488 -0.480 -7.549 342 H THR 48 H THR 48 -3.221 4.959 -6.668 343 HA THR 48 HA THR 48 -0.618 6.046 -6.898 344 HB THR 48 HB THR 48 -3.301 7.360 -7.368 345 HG1 THR 48 1HG THR 48 -2.870 6.818 -9.537 346 HG21 THR 48 3HG2 THR 48 -2.033 9.234 -7.381 347 HG22 THR 48 1HG2 THR 48 -1.575 8.665 -8.986 348 HG23 THR 48 2HG2 THR 48 -0.529 8.341 -7.604 349 H GLN 49 H GLN 49 -3.428 7.002 -4.936 350 HA GLN 49 HA GLN 49 -2.296 9.227 -3.700 351 HB2 GLN 49 1HB GLN 49 -4.728 8.293 -3.639 352 HB3 GLN 49 2HB GLN 49 -4.171 7.408 -2.225 353 HG2 GLN 49 1HG GLN 49 -4.434 10.363 -2.610 354 HG3 GLN 49 2HG GLN 49 -5.132 9.337 -1.357 355 HE21 GLN 49 1HE2 GLN 49 -3.579 8.322 0.142 356 HE22 GLN 49 2HE2 GLN 49 -2.188 9.232 0.612 357 H ILE 50 H ILE 50 -2.224 5.815 -2.757 358 HA ILE 50 HA ILE 50 -0.884 6.189 -0.300 359 HB ILE 50 HB ILE 50 -0.803 3.742 -2.066 360 HG12 ILE 50 1HG1 ILE 50 -2.667 4.013 0.249 361 HG13 ILE 50 2HG1 ILE 50 -3.093 4.817 -1.258 362 HG21 ILE 50 1HG2 ILE 50 0.866 3.800 -0.253 363 HG22 ILE 50 2HG2 ILE 50 -0.438 4.015 0.913 364 HG23 ILE 50 3HG2 ILE 50 -0.334 2.527 -0.028 365 HD11 ILE 50 3HD1 ILE 50 -2.373 1.910 -1.154 366 HD12 ILE 50 1HD1 ILE 50 -4.016 2.488 -0.877 367 HD13 ILE 50 2HD1 ILE 50 -3.222 2.791 -2.423 368 H GLY 51 H GLY 51 0.349 5.166 -3.489 369 HA2 GLY 51 1HA GLY 51 3.087 5.321 -2.615 370 HA3 GLY 51 2HA GLY 51 2.528 5.008 -4.252 371 H GLU 52 H GLU 52 4.705 6.706 -3.505 372 HA GLU 52 HA GLU 52 3.687 9.406 -3.984 373 HB2 GLU 52 1HB GLU 52 5.251 9.545 -2.288 374 HB3 GLU 52 2HB GLU 52 6.260 8.278 -2.972 375 HG2 GLU 52 1HG GLU 52 7.452 10.300 -3.202 376 HG3 GLU 52 2HG GLU 52 6.858 9.876 -4.807 377 H THR 53 H THR 53 3.846 10.403 -5.891 378 HA THR 53 HA THR 53 4.321 9.139 -8.270 379 HB THR 53 HB THR 53 4.899 12.068 -7.805 380 HG1 THR 53 1HG THR 53 2.536 10.619 -7.737 381 HG21 THR 53 3HG2 THR 53 4.188 10.421 -10.217 382 HG22 THR 53 1HG2 THR 53 5.546 11.525 -9.997 383 HG23 THR 53 2HG2 THR 53 3.910 12.162 -10.168 384 H SER 54 H SER 54 6.644 11.106 -6.428 385 HA SER 54 HA SER 54 8.800 11.021 -8.137 386 HB2 SER 54 1HB SER 54 8.633 11.054 -5.131 387 HB3 SER 54 2HB SER 54 10.191 11.056 -5.958 388 HG SER 54 HG SER 54 9.045 12.901 -7.190 389 H CYS 55 H CYS 55 8.282 8.770 -5.415 390 HA CYS 55 HA CYS 55 9.699 6.715 -6.978 391 HB2 CYS 55 1HB CYS 55 10.698 5.865 -4.934 392 HB3 CYS 55 2HB CYS 55 11.098 7.568 -5.121 393 HG CYS 55 HG CYS 55 10.656 7.674 -2.537 394 H GLY 56 H GLY 56 8.774 4.733 -7.085 395 HA2 GLY 56 1HA GLY 56 6.068 4.492 -6.061 396 HA3 GLY 56 2HA GLY 56 6.874 3.380 -7.157 397 H PHE 57 H PHE 57 7.398 4.550 -3.827 398 HA PHE 57 HA PHE 57 7.884 1.757 -3.038 399 HB2 PHE 57 1HB PHE 57 8.942 4.370 -1.999 400 HB3 PHE 57 2HB PHE 57 8.952 2.933 -0.982 401 HD1 PHE 57 2HD PHE 57 9.752 3.632 -4.563 402 HD2 PHE 57 1HD PHE 57 11.020 1.969 -0.856 403 HE1 PHE 57 2HE PHE 57 11.857 2.910 -5.611 404 HE2 PHE 57 1HE PHE 57 13.128 1.245 -1.899 405 HZ PHE 57 HZ PHE 57 13.548 1.714 -4.279 406 H PHE 58 H PHE 58 5.683 1.256 -2.737 407 HA PHE 58 HA PHE 58 4.591 2.304 -0.228 408 HB2 PHE 58 1HB PHE 58 2.448 2.717 -1.106 409 HB3 PHE 58 2HB PHE 58 3.544 3.400 -2.303 410 HD1 PHE 58 1HD PHE 58 4.281 1.625 -4.170 411 HD2 PHE 58 2HD PHE 58 0.690 1.482 -1.889 412 HE1 PHE 58 1HE PHE 58 3.229 0.250 -5.918 413 HE2 PHE 58 2HE PHE 58 -0.367 0.106 -3.633 414 HZ PHE 58 HZ PHE 58 0.902 -0.512 -5.651 415 H LYS 59 H LYS 59 4.296 0.655 1.101 416 HA LYS 59 HA LYS 59 4.202 -2.053 0.143 417 HB2 LYS 59 1HB LYS 59 4.114 -2.665 2.511 418 HB3 LYS 59 2HB LYS 59 5.390 -1.494 2.211 419 HG2 LYS 59 1HG LYS 59 3.952 0.291 3.061 420 HG3 LYS 59 2HG LYS 59 2.677 -0.890 3.370 421 HD2 LYS 59 1HD LYS 59 4.403 -2.106 4.814 422 HD3 LYS 59 2HD LYS 59 5.350 -0.619 4.717 423 HE2 LYS 59 1HE LYS 59 2.485 -0.675 5.633 424 HE3 LYS 59 2HE LYS 59 3.844 -0.870 6.739 425 HZ1 LYS 59 3HZ LYS 59 3.057 1.501 5.177 426 HZ2 LYS 59 1HZ LYS 59 4.661 1.311 5.682 427 HZ3 LYS 59 2HZ LYS 59 3.417 1.382 6.826 428 H CYS 60 H CYS 60 2.445 -3.156 -0.397 429 HA CYS 60 HA CYS 60 -0.087 -2.239 -0.635 430 HB2 CYS 60 1HB CYS 60 0.548 -4.378 -1.556 431 HB3 CYS 60 2HB CYS 60 0.778 -5.053 0.053 432 HA PRO 61 HA PRO 61 -1.660 -1.590 3.436 433 HB2 PRO 61 1HB PRO 61 -4.297 -1.459 2.808 434 HB3 PRO 61 2HB PRO 61 -3.160 -0.153 2.454 435 HG2 PRO 61 1HG PRO 61 -4.216 -2.288 0.640 436 HG3 PRO 61 2HG PRO 61 -3.987 -0.559 0.319 437 HD2 PRO 61 1HD PRO 61 -2.238 -2.443 -0.530 438 HD3 PRO 61 2HD PRO 61 -1.730 -0.803 -0.077 439 H LEU 62 H LEU 62 -2.991 -4.125 1.371 440 HA LEU 62 HA LEU 62 -4.331 -5.488 3.503 441 HB2 LEU 62 1HB LEU 62 -3.610 -6.297 0.696 442 HB3 LEU 62 2HB LEU 62 -4.495 -7.342 1.806 443 HG LEU 62 HG LEU 62 -5.455 -4.635 0.884 444 HD11 LEU 62 1HD1 LEU 62 -6.982 -5.838 -0.566 445 HD12 LEU 62 2HD1 LEU 62 -6.279 -7.376 -0.064 446 HD13 LEU 62 3HD1 LEU 62 -5.311 -6.222 -0.981 447 HD21 LEU 62 3HD2 LEU 62 -6.898 -6.872 2.301 448 HD22 LEU 62 1HD2 LEU 62 -7.570 -5.309 1.838 449 HD23 LEU 62 2HD2 LEU 62 -6.310 -5.396 3.069 450 H CYS 63 H CYS 63 -1.253 -5.869 1.811 451 HA CYS 63 HA CYS 63 -0.363 -7.633 3.985 452 HB2 CYS 63 1HB CYS 63 0.810 -9.069 2.405 453 HB3 CYS 63 2HB CYS 63 -0.908 -9.026 2.021 454 H LYS 64 H LYS 64 1.836 -7.510 4.504 455 HA LYS 64 HA LYS 64 3.093 -5.008 3.701 456 HB2 LYS 64 1HB LYS 64 3.444 -6.934 5.956 457 HB3 LYS 64 2HB LYS 64 4.803 -5.910 5.511 458 HG2 LYS 64 1HG LYS 64 3.147 -3.963 5.702 459 HG3 LYS 64 2HG LYS 64 2.114 -5.110 6.558 460 HD2 LYS 64 1HD LYS 64 4.964 -4.832 7.391 461 HD3 LYS 64 2HD LYS 64 3.811 -3.581 7.862 462 HE2 LYS 64 1HE LYS 64 2.360 -5.394 8.796 463 HE3 LYS 64 2HE LYS 64 3.674 -6.527 8.483 464 HZ1 LYS 64 3HZ LYS 64 5.000 -4.721 9.850 465 HZ2 LYS 64 1HZ LYS 64 4.157 -5.974 10.612 466 HZ3 LYS 64 2HZ LYS 64 3.469 -4.433 10.507 467 H THR 65 H THR 65 3.123 -6.607 1.570 468 HA THR 65 HA THR 65 5.739 -7.933 1.505 469 HB THR 65 HB THR 65 3.566 -8.009 -0.595 470 HG1 THR 65 1HG THR 65 3.970 -9.468 1.745 471 HG21 THR 65 3HG2 THR 65 5.167 -8.934 -1.846 472 HG22 THR 65 1HG2 THR 65 5.158 -10.295 -0.724 473 HG23 THR 65 2HG2 THR 65 6.294 -8.966 -0.490 474 H SER 66 H SER 66 7.413 -6.869 0.697 475 HA SER 66 HA SER 66 7.323 -4.311 -0.377 476 HB2 SER 66 1HB SER 66 9.661 -4.752 -1.135 477 HB3 SER 66 2HB SER 66 9.377 -5.208 0.545 478 HG SER 66 HG SER 66 10.086 -6.757 -1.581 479 H VAL 67 H VAL 67 6.074 -3.875 -2.105 480 HA VAL 67 HA VAL 67 5.867 -5.641 -4.356 481 HB VAL 67 HB VAL 67 4.536 -3.819 -5.385 482 HG11 VAL 67 1HG1 VAL 67 3.942 -4.971 -2.717 483 HG12 VAL 67 2HG1 VAL 67 2.859 -3.718 -3.327 484 HG13 VAL 67 3HG1 VAL 67 3.115 -5.194 -4.258 485 HG21 VAL 67 3HG2 VAL 67 4.269 -2.175 -3.039 486 HG22 VAL 67 1HG2 VAL 67 5.945 -2.204 -3.587 487 HG23 VAL 67 2HG2 VAL 67 4.664 -1.709 -4.693 488 H ARG 68 H ARG 68 7.769 -2.841 -3.524 489 HA ARG 68 HA ARG 68 9.212 -1.539 -4.767 490 HB2 ARG 68 1HB ARG 68 9.984 -4.400 -5.018 491 HB3 ARG 68 2HB ARG 68 10.841 -3.242 -6.026 492 HG2 ARG 68 1HG ARG 68 11.131 -1.941 -3.781 493 HG3 ARG 68 2HG ARG 68 10.816 -3.522 -3.062 494 HD2 ARG 68 1HD ARG 68 12.831 -3.267 -5.251 495 HD3 ARG 68 2HD ARG 68 13.262 -2.783 -3.611 496 HE ARG 68 HE ARG 68 12.246 -5.237 -3.228 497 HH11 ARG 68 2HH1 ARG 68 14.607 -4.011 -5.474 498 HH12 ARG 68 1HH1 ARG 68 15.485 -5.502 -5.565 499 HH21 ARG 68 2HH2 ARG 68 13.394 -7.205 -3.340 500 HH22 ARG 68 1HH2 ARG 68 14.794 -7.318 -4.352 501 H LYS 69 H LYS 69 6.897 -1.449 -6.117 502 HA LYS 69 HA LYS 69 6.935 -2.423 -8.758 503 HB2 LYS 69 1HB LYS 69 5.086 -0.996 -9.166 504 HB3 LYS 69 2HB LYS 69 4.943 -1.507 -7.489 505 HG2 LYS 69 1HG LYS 69 5.353 0.575 -6.672 506 HG3 LYS 69 2HG LYS 69 6.379 1.030 -8.034 507 HD2 LYS 69 1HD LYS 69 4.122 0.855 -9.372 508 HD3 LYS 69 2HD LYS 69 3.408 1.105 -7.778 509 HE2 LYS 69 1HE LYS 69 3.636 3.244 -8.792 510 HE3 LYS 69 2HE LYS 69 4.873 3.125 -7.542 511 HZ1 LYS 69 3HZ LYS 69 5.338 2.648 -10.436 512 HZ2 LYS 69 1HZ LYS 69 6.512 2.641 -9.218 513 HZ3 LYS 69 2HZ LYS 69 5.717 4.079 -9.619 514 H ASN 70 H ASN 70 8.605 0.169 -7.254 515 HA ASN 70 HA ASN 70 9.103 1.612 -9.713 516 HB2 ASN 70 1HB ASN 70 8.904 2.880 -7.645 517 HB3 ASN 70 2HB ASN 70 10.224 1.964 -6.925 518 HD21 ASN 70 1HD2 ASN 70 9.543 3.901 -9.819 519 HD22 ASN 70 2HD2 ASN 70 11.061 4.726 -9.830 520 H ALA 71 H ALA 71 11.124 1.827 -10.723 521 HA ALA 71 HA ALA 71 13.436 0.402 -9.869 522 HB1 ALA 71 3HB ALA 71 12.812 -0.821 -12.393 523 HB2 ALA 71 1HB ALA 71 13.213 -1.576 -10.850 524 HB3 ALA 71 2HB ALA 71 11.541 -1.152 -11.217 525 H ILE 72 H ILE 72 15.210 1.240 -10.810 526 HA ILE 72 HA ILE 72 14.851 3.369 -12.731 527 HB ILE 72 HB ILE 72 16.425 3.590 -10.824 528 HG12 ILE 72 1HG1 ILE 72 17.958 3.708 -13.414 529 HG13 ILE 72 2HG1 ILE 72 16.626 4.809 -13.079 530 HG21 ILE 72 1HG2 ILE 72 17.206 1.084 -11.353 531 HG22 ILE 72 2HG2 ILE 72 18.476 1.968 -12.196 532 HG23 ILE 72 3HG2 ILE 72 18.207 2.240 -10.475 533 HD11 ILE 72 3HD1 ILE 72 17.833 6.030 -11.639 534 HD12 ILE 72 1HD1 ILE 72 18.661 4.623 -10.971 535 HD13 ILE 72 2HD1 ILE 72 19.201 5.323 -12.498 536 H ARG 73 H ARG 73 15.244 3.290 -14.856 537 HA ARG 73 HA ARG 73 16.834 1.088 -15.947 538 HB2 ARG 73 1HB ARG 73 14.621 0.227 -16.162 539 HB3 ARG 73 2HB ARG 73 14.006 1.770 -16.739 540 HG2 ARG 73 1HG ARG 73 15.537 1.464 -18.740 541 HG3 ARG 73 2HG ARG 73 15.739 -0.201 -18.191 542 HD2 ARG 73 1HD ARG 73 13.058 1.068 -18.711 543 HD3 ARG 73 2HD ARG 73 13.955 0.159 -19.927 544 HE ARG 73 HE ARG 73 13.835 -1.569 -17.863 545 HH11 ARG 73 2HH1 ARG 73 11.421 0.326 -19.506 546 HH12 ARG 73 1HH1 ARG 73 10.147 -0.814 -19.224 547 HH21 ARG 73 2HH2 ARG 73 12.166 -3.078 -17.485 548 HH22 ARG 73 1HH2 ARG 73 10.571 -2.749 -18.074 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -41.607 40.743 -5.895 2 HA2 GLY 1 1HA GLY 1 -40.569 41.191 -8.146 3 HA3 GLY 1 2HA GLY 1 -39.603 40.135 -7.127 4 H SER 2 H SER 2 -38.657 39.219 -9.003 5 HA SER 2 HA SER 2 -40.181 36.991 -10.045 6 HB2 SER 2 1HB SER 2 -40.632 38.991 -11.571 7 HB3 SER 2 2HB SER 2 -38.934 38.887 -12.036 8 HG SER 2 HG SER 2 -40.817 36.772 -12.251 9 H SER 3 H SER 3 -38.874 35.383 -11.027 10 HA SER 3 HA SER 3 -36.080 35.676 -11.408 11 HB2 SER 3 1HB SER 3 -35.247 34.369 -9.540 12 HB3 SER 3 2HB SER 3 -36.156 35.745 -8.918 13 HG SER 3 HG SER 3 -37.962 33.988 -9.067 14 H GLY 4 H GLY 4 -35.043 33.327 -11.433 15 HA2 GLY 4 1HA GLY 4 -36.912 31.247 -12.183 16 HA3 GLY 4 2HA GLY 4 -35.988 31.911 -13.523 17 H SER 5 H SER 5 -35.980 29.776 -10.854 18 HA SER 5 HA SER 5 -33.633 28.459 -11.710 19 HB2 SER 5 1HB SER 5 -32.137 28.945 -9.849 20 HB3 SER 5 2HB SER 5 -32.557 30.444 -10.677 21 HG SER 5 HG SER 5 -33.004 31.030 -8.689 22 H SER 6 H SER 6 -33.204 26.541 -10.520 23 HA SER 6 HA SER 6 -34.521 25.823 -8.138 24 HB2 SER 6 1HB SER 6 -36.397 25.929 -10.002 25 HB3 SER 6 2HB SER 6 -35.758 24.340 -10.421 26 HG SER 6 HG SER 6 -37.525 24.483 -8.789 27 H GLY 7 H GLY 7 -34.473 23.351 -7.836 28 HA2 GLY 7 1HA GLY 7 -32.223 22.192 -9.350 29 HA3 GLY 7 2HA GLY 7 -32.222 22.170 -7.593 30 H MET 8 H MET 8 -32.503 20.150 -9.984 31 HA MET 8 HA MET 8 -34.718 18.631 -8.770 32 HB2 MET 8 1HB MET 8 -33.725 18.542 -11.624 33 HB3 MET 8 2HB MET 8 -34.993 17.521 -10.960 34 HG2 MET 8 1HG MET 8 -36.181 19.717 -10.380 35 HG3 MET 8 2HG MET 8 -35.042 20.463 -11.498 36 HE1 MET 8 3HE MET 8 -38.204 17.306 -12.598 37 HE2 MET 8 1HE MET 8 -37.087 17.197 -11.237 38 HE3 MET 8 2HE MET 8 -38.391 18.384 -11.214 39 H ALA 9 H ALA 9 -34.296 16.637 -8.014 40 HA ALA 9 HA ALA 9 -32.230 14.953 -8.947 41 HB1 ALA 9 3HB ALA 9 -31.018 15.079 -6.596 42 HB2 ALA 9 1HB ALA 9 -30.547 16.114 -7.944 43 HB3 ALA 9 2HB ALA 9 -31.590 16.746 -6.669 44 H SER 10 H SER 10 -32.867 12.948 -8.508 45 HA SER 10 HA SER 10 -33.804 12.100 -5.968 46 HB2 SER 10 1HB SER 10 -36.116 11.559 -6.549 47 HB3 SER 10 2HB SER 10 -35.838 13.292 -6.723 48 HG SER 10 HG SER 10 -35.334 12.579 -9.041 49 H GLY 11 H GLY 11 -33.606 9.929 -5.765 50 HA2 GLY 11 1HA GLY 11 -33.825 7.697 -6.694 51 HA3 GLY 11 2HA GLY 11 -33.317 8.353 -8.243 52 H GLN 12 H GLN 12 -32.032 8.416 -4.915 53 HA GLN 12 HA GLN 12 -29.341 8.092 -5.944 54 HB2 GLN 12 1HB GLN 12 -29.979 9.632 -4.024 55 HB3 GLN 12 2HB GLN 12 -30.182 8.183 -3.049 56 HG2 GLN 12 1HG GLN 12 -27.804 7.598 -3.623 57 HG3 GLN 12 2HG GLN 12 -27.661 9.213 -4.316 58 HE21 GLN 12 1HE2 GLN 12 -27.788 7.339 -1.443 59 HE22 GLN 12 2HE2 GLN 12 -27.507 8.626 -0.326 60 H PHE 13 H PHE 13 -30.931 5.888 -6.516 61 HA PHE 13 HA PHE 13 -29.384 3.802 -5.283 62 HB2 PHE 13 1HB PHE 13 -32.342 4.043 -4.752 63 HB3 PHE 13 2HB PHE 13 -31.489 2.508 -4.631 64 HD1 PHE 13 1HD PHE 13 -29.612 2.291 -2.979 65 HD2 PHE 13 2HD PHE 13 -32.273 5.613 -3.013 66 HE1 PHE 13 1HE PHE 13 -28.955 2.837 -0.671 67 HE2 PHE 13 2HE PHE 13 -31.619 6.165 -0.706 68 HZ PHE 13 HZ PHE 13 -29.958 4.777 0.468 69 H VAL 14 H VAL 14 -28.800 2.611 -6.962 70 HA VAL 14 HA VAL 14 -30.669 2.304 -9.212 71 HB VAL 14 HB VAL 14 -28.473 3.282 -9.764 72 HG11 VAL 14 1HG1 VAL 14 -26.871 0.919 -9.641 73 HG12 VAL 14 2HG1 VAL 14 -26.585 2.496 -8.901 74 HG13 VAL 14 3HG1 VAL 14 -27.514 1.270 -8.037 75 HG21 VAL 14 3HG2 VAL 14 -29.119 2.354 -11.702 76 HG22 VAL 14 1HG2 VAL 14 -27.880 1.148 -11.357 77 HG23 VAL 14 2HG2 VAL 14 -29.563 0.829 -10.935 78 H ASN 15 H ASN 15 -31.243 0.307 -9.977 79 HA ASN 15 HA ASN 15 -30.611 -1.952 -8.216 80 HB2 ASN 15 1HB ASN 15 -33.030 -1.147 -8.869 81 HB3 ASN 15 2HB ASN 15 -32.722 -2.072 -10.336 82 HD21 ASN 15 1HD2 ASN 15 -32.696 -4.272 -10.258 83 HD22 ASN 15 2HD2 ASN 15 -33.128 -5.181 -8.853 84 H LYS 16 H LYS 16 -28.611 -2.553 -9.052 85 HA LYS 16 HA LYS 16 -28.757 -4.071 -11.529 86 HB2 LYS 16 1HB LYS 16 -26.897 -1.746 -11.089 87 HB3 LYS 16 2HB LYS 16 -26.489 -3.048 -12.199 88 HG2 LYS 16 1HG LYS 16 -29.060 -1.514 -12.410 89 HG3 LYS 16 2HG LYS 16 -27.569 -0.980 -13.190 90 HD2 LYS 16 1HD LYS 16 -28.624 -3.759 -13.593 91 HD3 LYS 16 2HD LYS 16 -29.222 -2.406 -14.556 92 HE2 LYS 16 1HE LYS 16 -27.517 -3.120 -15.898 93 HE3 LYS 16 2HE LYS 16 -26.646 -1.959 -14.897 94 HZ1 LYS 16 3HZ LYS 16 -26.746 -4.640 -13.825 95 HZ2 LYS 16 1HZ LYS 16 -25.443 -3.567 -13.942 96 HZ3 LYS 16 2HZ LYS 16 -25.890 -4.502 -15.278 97 H LEU 17 H LEU 17 -27.721 -5.954 -11.333 98 HA LEU 17 HA LEU 17 -26.725 -6.967 -9.009 99 HB2 LEU 17 1HB LEU 17 -27.224 -8.351 -10.927 100 HB3 LEU 17 2HB LEU 17 -25.875 -7.650 -11.819 101 HG LEU 17 HG LEU 17 -24.427 -8.642 -9.903 102 HD11 LEU 17 1HD1 LEU 17 -25.564 -10.875 -9.216 103 HD12 LEU 17 2HD1 LEU 17 -27.061 -9.997 -9.524 104 HD13 LEU 17 3HD1 LEU 17 -25.921 -9.399 -8.319 105 HD21 LEU 17 3HD2 LEU 17 -25.698 -10.072 -12.198 106 HD22 LEU 17 1HD2 LEU 17 -24.598 -10.935 -11.122 107 HD23 LEU 17 2HD2 LEU 17 -24.036 -9.514 -12.003 108 H GLN 18 H GLN 18 -24.841 -6.960 -7.902 109 HA GLN 18 HA GLN 18 -22.608 -5.423 -9.056 110 HB2 GLN 18 1HB GLN 18 -23.492 -5.560 -6.169 111 HB3 GLN 18 2HB GLN 18 -22.051 -4.730 -6.744 112 HG2 GLN 18 1HG GLN 18 -23.339 -3.133 -7.931 113 HG3 GLN 18 2HG GLN 18 -24.822 -4.055 -7.687 114 HE21 GLN 18 1HE2 GLN 18 -25.449 -1.834 -6.929 115 HE22 GLN 18 2HE2 GLN 18 -25.224 -1.487 -5.252 116 H GLU 19 H GLU 19 -21.518 -7.231 -9.830 117 HA GLU 19 HA GLU 19 -20.373 -8.956 -7.736 118 HB2 GLU 19 1HB GLU 19 -22.079 -10.125 -9.178 119 HB3 GLU 19 2HB GLU 19 -21.008 -9.860 -10.546 120 HG2 GLU 19 1HG GLU 19 -19.371 -11.295 -9.690 121 HG3 GLU 19 2HG GLU 19 -20.083 -11.284 -8.078 122 H GLU 20 H GLU 20 -19.184 -6.592 -8.574 123 HA GLU 20 HA GLU 20 -16.918 -7.572 -10.185 124 HB2 GLU 20 1HB GLU 20 -17.902 -4.724 -9.933 125 HB3 GLU 20 2HB GLU 20 -16.546 -5.267 -10.911 126 HG2 GLU 20 1HG GLU 20 -18.383 -6.817 -11.987 127 HG3 GLU 20 2HG GLU 20 -19.462 -5.565 -11.375 128 H VAL 21 H VAL 21 -14.889 -7.336 -9.392 129 HA VAL 21 HA VAL 21 -14.409 -7.177 -6.686 130 HB VAL 21 HB VAL 21 -12.781 -8.040 -8.330 131 HG11 VAL 21 1HG1 VAL 21 -13.061 -6.213 -9.981 132 HG12 VAL 21 2HG1 VAL 21 -12.169 -5.142 -8.900 133 HG13 VAL 21 3HG1 VAL 21 -11.374 -6.553 -9.599 134 HG21 VAL 21 3HG2 VAL 21 -11.652 -5.850 -6.590 135 HG22 VAL 21 1HG2 VAL 21 -12.096 -7.464 -6.034 136 HG23 VAL 21 2HG2 VAL 21 -10.785 -7.260 -7.197 137 H ILE 22 H ILE 22 -14.184 -5.597 -5.225 138 HA ILE 22 HA ILE 22 -14.237 -2.818 -6.202 139 HB ILE 22 HB ILE 22 -15.168 -3.848 -3.520 140 HG12 ILE 22 1HG1 ILE 22 -16.872 -2.838 -5.800 141 HG13 ILE 22 2HG1 ILE 22 -16.540 -4.547 -5.538 142 HG21 ILE 22 1HG2 ILE 22 -14.378 -1.551 -3.435 143 HG22 ILE 22 2HG2 ILE 22 -15.410 -1.129 -4.801 144 HG23 ILE 22 3HG2 ILE 22 -16.133 -1.606 -3.264 145 HD11 ILE 22 3HD1 ILE 22 -17.748 -2.824 -3.405 146 HD12 ILE 22 1HD1 ILE 22 -18.725 -3.622 -4.637 147 HD13 ILE 22 2HD1 ILE 22 -17.741 -4.583 -3.533 148 H CYS 23 H CYS 23 -13.045 -1.226 -5.008 149 HA CYS 23 HA CYS 23 -10.454 -2.163 -4.221 150 HB2 CYS 23 1HB CYS 23 -10.866 -0.032 -5.478 151 HB3 CYS 23 2HB CYS 23 -11.567 0.639 -4.009 152 HA PRO 24 HA PRO 24 -11.575 -2.697 0.063 153 HB2 PRO 24 1HB PRO 24 -9.110 -3.483 0.886 154 HB3 PRO 24 2HB PRO 24 -10.223 -4.554 0.027 155 HG2 PRO 24 1HG PRO 24 -7.893 -3.000 -1.031 156 HG3 PRO 24 2HG PRO 24 -8.379 -4.669 -1.385 157 HD2 PRO 24 1HD PRO 24 -8.918 -2.609 -3.057 158 HD3 PRO 24 2HD PRO 24 -9.993 -4.012 -2.893 159 H ILE 25 H ILE 25 -9.872 -0.263 -1.338 160 HA ILE 25 HA ILE 25 -8.929 0.881 1.195 161 HB ILE 25 HB ILE 25 -8.391 1.743 -1.649 162 HG12 ILE 25 1HG1 ILE 25 -6.498 0.594 0.409 163 HG13 ILE 25 2HG1 ILE 25 -7.276 -0.363 -0.846 164 HG21 ILE 25 1HG2 ILE 25 -8.466 3.657 -0.134 165 HG22 ILE 25 2HG2 ILE 25 -7.312 2.862 0.935 166 HG23 ILE 25 3HG2 ILE 25 -6.821 3.347 -0.688 167 HD11 ILE 25 3HD1 ILE 25 -5.859 0.337 -2.421 168 HD12 ILE 25 1HD1 ILE 25 -5.868 2.000 -1.835 169 HD13 ILE 25 2HD1 ILE 25 -4.838 0.797 -1.059 170 H CYS 26 H CYS 26 -10.632 1.962 -1.751 171 HA CYS 26 HA CYS 26 -11.954 4.040 -0.161 172 HB2 CYS 26 1HB CYS 26 -12.643 4.938 -2.406 173 HB3 CYS 26 2HB CYS 26 -10.904 4.905 -2.133 174 H LEU 27 H LEU 27 -12.532 1.052 -1.767 175 HA LEU 27 HA LEU 27 -14.364 -0.305 -1.803 176 HB2 LEU 27 1HB LEU 27 -15.908 1.803 -0.328 177 HB3 LEU 27 2HB LEU 27 -16.170 0.061 -0.343 178 HG LEU 27 HG LEU 27 -13.769 1.375 0.918 179 HD11 LEU 27 1HD1 LEU 27 -16.412 1.512 1.809 180 HD12 LEU 27 2HD1 LEU 27 -14.950 1.866 2.729 181 HD13 LEU 27 3HD1 LEU 27 -15.651 0.249 2.777 182 HD21 LEU 27 3HD2 LEU 27 -14.919 -1.408 1.004 183 HD22 LEU 27 1HD2 LEU 27 -13.677 -0.825 2.113 184 HD23 LEU 27 2HD2 LEU 27 -13.345 -0.908 0.382 185 H ASP 28 H ASP 28 -13.844 1.265 -3.985 186 HA ASP 28 HA ASP 28 -16.558 1.872 -4.952 187 HB2 ASP 28 1HB ASP 28 -14.048 3.373 -5.727 188 HB3 ASP 28 2HB ASP 28 -15.686 3.711 -6.281 189 H ILE 29 H ILE 29 -17.093 1.078 -6.927 190 HA ILE 29 HA ILE 29 -16.125 -1.160 -7.992 191 HB ILE 29 HB ILE 29 -17.086 1.188 -9.631 192 HG12 ILE 29 1HG1 ILE 29 -18.646 -1.229 -8.719 193 HG13 ILE 29 2HG1 ILE 29 -18.584 0.264 -7.789 194 HG21 ILE 29 1HG2 ILE 29 -15.972 -1.250 -10.493 195 HG22 ILE 29 2HG2 ILE 29 -17.710 -1.360 -10.766 196 HG23 ILE 29 3HG2 ILE 29 -16.790 -0.027 -11.464 197 HD11 ILE 29 3HD1 ILE 29 -19.651 -0.065 -10.582 198 HD12 ILE 29 1HD1 ILE 29 -20.592 0.193 -9.113 199 HD13 ILE 29 2HD1 ILE 29 -19.529 1.466 -9.715 200 H LEU 30 H LEU 30 -14.037 -1.678 -8.236 201 HA LEU 30 HA LEU 30 -11.967 0.072 -8.930 202 HB2 LEU 30 1HB LEU 30 -12.280 -2.896 -8.918 203 HB3 LEU 30 2HB LEU 30 -10.841 -2.180 -9.641 204 HG LEU 30 HG LEU 30 -11.586 -1.381 -6.869 205 HD11 LEU 30 1HD1 LEU 30 -11.737 -3.927 -7.132 206 HD12 LEU 30 2HD1 LEU 30 -10.699 -3.284 -5.860 207 HD13 LEU 30 3HD1 LEU 30 -9.990 -3.869 -7.365 208 HD21 LEU 30 3HD2 LEU 30 -8.876 -2.014 -7.986 209 HD22 LEU 30 1HD2 LEU 30 -9.305 -0.957 -6.640 210 HD23 LEU 30 2HD2 LEU 30 -9.658 -0.463 -8.296 211 H GLN 31 H GLN 31 -12.403 1.279 -10.746 212 HA GLN 31 HA GLN 31 -13.389 0.280 -13.177 213 HB2 GLN 31 1HB GLN 31 -11.969 2.766 -12.337 214 HB3 GLN 31 2HB GLN 31 -12.106 2.423 -14.057 215 HG2 GLN 31 1HG GLN 31 -14.623 2.089 -13.524 216 HG3 GLN 31 2HG GLN 31 -14.251 3.011 -12.069 217 HE21 GLN 31 1HE2 GLN 31 -15.991 4.250 -13.432 218 HE22 GLN 31 2HE2 GLN 31 -15.351 5.517 -14.417 219 H LYS 32 H LYS 32 -10.098 0.699 -11.973 220 HA LYS 32 HA LYS 32 -9.156 -1.014 -14.164 221 HB2 LYS 32 1HB LYS 32 -8.112 1.671 -13.350 222 HB3 LYS 32 2HB LYS 32 -6.995 0.469 -13.982 223 HG2 LYS 32 1HG LYS 32 -7.934 0.501 -16.083 224 HG3 LYS 32 2HG LYS 32 -9.488 1.096 -15.495 225 HD2 LYS 32 1HD LYS 32 -8.475 2.904 -16.639 226 HD3 LYS 32 2HD LYS 32 -8.301 3.252 -14.917 227 HE2 LYS 32 1HE LYS 32 -6.229 3.743 -16.051 228 HE3 LYS 32 2HE LYS 32 -6.006 2.345 -15.001 229 HZ1 LYS 32 3HZ LYS 32 -5.023 2.164 -17.285 230 HZ2 LYS 32 1HZ LYS 32 -6.600 2.100 -17.893 231 HZ3 LYS 32 2HZ LYS 32 -6.050 0.895 -16.841 232 HA PRO 33 HA PRO 33 -7.789 -2.787 -10.169 233 HB2 PRO 33 1HB PRO 33 -7.913 -5.357 -11.034 234 HB3 PRO 33 2HB PRO 33 -9.320 -4.480 -10.423 235 HG2 PRO 33 1HG PRO 33 -8.486 -4.987 -13.253 236 HG3 PRO 33 2HG PRO 33 -10.102 -5.085 -12.529 237 HD2 PRO 33 1HD PRO 33 -9.283 -2.952 -13.982 238 HD3 PRO 33 2HD PRO 33 -10.421 -2.804 -12.627 239 H VAL 34 H VAL 34 -5.657 -2.402 -9.976 240 HA VAL 34 HA VAL 34 -3.815 -3.427 -12.009 241 HB VAL 34 HB VAL 34 -3.286 -1.563 -9.689 242 HG11 VAL 34 1HG1 VAL 34 -1.513 -2.392 -11.985 243 HG12 VAL 34 2HG1 VAL 34 -1.128 -1.157 -10.784 244 HG13 VAL 34 3HG1 VAL 34 -1.307 -2.842 -10.292 245 HG21 VAL 34 3HG2 VAL 34 -4.134 0.033 -10.982 246 HG22 VAL 34 1HG2 VAL 34 -2.859 -0.291 -12.157 247 HG23 VAL 34 2HG2 VAL 34 -4.412 -1.117 -12.289 248 H THR 35 H THR 35 -3.026 -5.393 -11.687 249 HA THR 35 HA THR 35 -2.902 -6.530 -9.020 250 HB THR 35 HB THR 35 -2.082 -7.789 -11.643 251 HG1 THR 35 1HG THR 35 -4.252 -7.412 -11.801 252 HG21 THR 35 3HG2 THR 35 -1.329 -8.695 -9.295 253 HG22 THR 35 1HG2 THR 35 -1.910 -9.802 -10.537 254 HG23 THR 35 2HG2 THR 35 -2.984 -9.299 -9.232 255 H ILE 36 H ILE 36 -1.190 -6.204 -7.772 256 HA ILE 36 HA ILE 36 1.388 -5.555 -8.977 257 HB ILE 36 HB ILE 36 2.103 -5.013 -6.680 258 HG12 ILE 36 1HG1 ILE 36 -0.734 -5.792 -5.978 259 HG13 ILE 36 2HG1 ILE 36 0.739 -6.585 -5.430 260 HG21 ILE 36 1HG2 ILE 36 -0.438 -3.541 -6.855 261 HG22 ILE 36 2HG2 ILE 36 1.221 -2.946 -6.809 262 HG23 ILE 36 3HG2 ILE 36 0.540 -3.545 -8.322 263 HD11 ILE 36 3HD1 ILE 36 -0.436 -5.031 -3.803 264 HD12 ILE 36 1HD1 ILE 36 1.300 -4.809 -4.020 265 HD13 ILE 36 2HD1 ILE 36 0.165 -3.712 -4.807 266 H ASP 37 H ASP 37 3.320 -6.457 -7.602 267 HA ASP 37 HA ASP 37 3.687 -9.105 -8.175 268 HB2 ASP 37 1HB ASP 37 5.346 -7.294 -7.277 269 HB3 ASP 37 2HB ASP 37 4.948 -7.972 -5.701 270 H CYS 38 H CYS 38 2.442 -7.730 -5.158 271 HA CYS 38 HA CYS 38 2.265 -10.143 -3.723 272 HB2 CYS 38 1HB CYS 38 1.185 -8.925 -2.090 273 HB3 CYS 38 2HB CYS 38 1.991 -7.631 -2.971 274 H GLY 39 H GLY 39 0.214 -8.700 -6.137 275 HA2 GLY 39 1HA GLY 39 -1.221 -10.195 -7.410 276 HA3 GLY 39 2HA GLY 39 -1.579 -11.033 -5.908 277 H HIS 40 H HIS 40 -2.221 -9.038 -4.194 278 HA HIS 40 HA HIS 40 -4.848 -8.550 -4.511 279 HB2 HIS 40 1HB HIS 40 -2.831 -6.658 -3.288 280 HB3 HIS 40 2HB HIS 40 -4.573 -6.541 -3.059 281 HD2 HIS 40 2HD HIS 40 -4.752 -9.965 -2.629 282 HE1 HIS 40 1HE HIS 40 -2.652 -8.924 0.907 283 HE2 HIS 40 2HE HIS 40 -3.938 -10.726 -0.294 284 H ASN 41 H ASN 41 -6.184 -6.964 -5.378 285 HA ASN 41 HA ASN 41 -4.941 -5.338 -7.494 286 HB2 ASN 41 1HB ASN 41 -7.715 -6.523 -7.294 287 HB3 ASN 41 2HB ASN 41 -7.234 -5.372 -8.538 288 HD21 ASN 41 1HD2 ASN 41 -6.409 -8.511 -7.149 289 HD22 ASN 41 2HD2 ASN 41 -5.823 -9.205 -8.619 290 H PHE 42 H PHE 42 -5.145 -3.185 -7.443 291 HA PHE 42 HA PHE 42 -7.062 -2.021 -5.532 292 HB2 PHE 42 1HB PHE 42 -4.246 -1.093 -6.129 293 HB3 PHE 42 2HB PHE 42 -5.400 -0.211 -5.134 294 HD1 PHE 42 1HD PHE 42 -6.370 -1.494 -3.102 295 HD2 PHE 42 2HD PHE 42 -2.808 -2.606 -5.148 296 HE1 PHE 42 1HE PHE 42 -5.634 -2.759 -1.124 297 HE2 PHE 42 2HE PHE 42 -2.066 -3.874 -3.174 298 HZ PHE 42 HZ PHE 42 -3.480 -3.952 -1.159 299 H CYS 43 H CYS 43 -7.255 0.459 -6.014 300 HA CYS 43 HA CYS 43 -7.852 0.684 -8.881 301 HB2 CYS 43 1HB CYS 43 -9.648 2.022 -8.359 302 HB3 CYS 43 2HB CYS 43 -9.581 1.028 -6.907 303 H LEU 44 H LEU 44 -7.036 2.306 -10.119 304 HA LEU 44 HA LEU 44 -4.596 3.419 -9.632 305 HB2 LEU 44 1HB LEU 44 -5.723 3.412 -11.813 306 HB3 LEU 44 2HB LEU 44 -6.819 4.669 -11.242 307 HG LEU 44 HG LEU 44 -4.816 6.159 -10.971 308 HD11 LEU 44 1HD1 LEU 44 -2.732 5.495 -11.438 309 HD12 LEU 44 2HD1 LEU 44 -3.237 4.576 -12.855 310 HD13 LEU 44 3HD1 LEU 44 -3.372 3.863 -11.248 311 HD21 LEU 44 3HD2 LEU 44 -5.727 6.897 -12.866 312 HD22 LEU 44 1HD2 LEU 44 -6.105 5.263 -13.413 313 HD23 LEU 44 2HD2 LEU 44 -4.504 5.942 -13.707 314 H LYS 45 H LYS 45 -7.717 5.081 -9.177 315 HA LYS 45 HA LYS 45 -6.886 7.498 -8.231 316 HB2 LYS 45 1HB LYS 45 -9.181 5.880 -7.109 317 HB3 LYS 45 2HB LYS 45 -8.984 7.622 -6.973 318 HG2 LYS 45 1HG LYS 45 -9.191 6.218 -9.619 319 HG3 LYS 45 2HG LYS 45 -10.598 6.805 -8.731 320 HD2 LYS 45 1HD LYS 45 -9.526 9.072 -8.715 321 HD3 LYS 45 2HD LYS 45 -8.293 8.428 -9.801 322 HE2 LYS 45 1HE LYS 45 -10.180 7.760 -11.341 323 HE3 LYS 45 2HE LYS 45 -11.246 8.713 -10.311 324 HZ1 LYS 45 3HZ LYS 45 -10.570 10.569 -11.287 325 HZ2 LYS 45 1HZ LYS 45 -9.737 9.628 -12.419 326 HZ3 LYS 45 2HZ LYS 45 -8.938 10.198 -11.042 327 H CYS 46 H CYS 46 -6.705 4.425 -6.616 328 HA CYS 46 HA CYS 46 -5.972 5.666 -4.078 329 HB2 CYS 46 1HB CYS 46 -6.775 2.944 -4.956 330 HB3 CYS 46 2HB CYS 46 -5.671 3.043 -3.588 331 H ILE 47 H ILE 47 -4.588 2.942 -5.912 332 HA ILE 47 HA ILE 47 -2.113 2.787 -4.903 333 HB ILE 47 HB ILE 47 -2.806 2.712 -7.840 334 HG12 ILE 47 1HG1 ILE 47 -2.384 0.473 -5.850 335 HG13 ILE 47 2HG1 ILE 47 -3.960 1.077 -6.351 336 HG21 ILE 47 1HG2 ILE 47 -0.388 3.117 -7.421 337 HG22 ILE 47 2HG2 ILE 47 -0.339 1.611 -6.506 338 HG23 ILE 47 3HG2 ILE 47 -0.724 1.585 -8.227 339 HD11 ILE 47 3HD1 ILE 47 -3.944 -0.253 -8.112 340 HD12 ILE 47 1HD1 ILE 47 -2.412 0.426 -8.661 341 HD13 ILE 47 2HD1 ILE 47 -2.422 -0.938 -7.543 342 H THR 48 H THR 48 -3.278 5.359 -6.975 343 HA THR 48 HA THR 48 -0.674 6.562 -7.291 344 HB THR 48 HB THR 48 -3.402 7.694 -7.944 345 HG1 THR 48 1HG THR 48 -1.490 6.290 -9.525 346 HG21 THR 48 3HG2 THR 48 -0.627 8.558 -8.763 347 HG22 THR 48 1HG2 THR 48 -1.748 9.451 -7.736 348 HG23 THR 48 2HG2 THR 48 -2.123 9.199 -9.441 349 H GLN 49 H GLN 49 -3.641 7.288 -5.479 350 HA GLN 49 HA GLN 49 -2.810 9.686 -4.318 351 HB2 GLN 49 1HB GLN 49 -4.786 7.578 -3.510 352 HB3 GLN 49 2HB GLN 49 -4.452 8.935 -2.442 353 HG2 GLN 49 1HG GLN 49 -5.235 9.345 -5.304 354 HG3 GLN 49 2HG GLN 49 -6.436 9.119 -4.033 355 HE21 GLN 49 1HE2 GLN 49 -6.830 10.745 -2.598 356 HE22 GLN 49 2HE2 GLN 49 -6.149 12.327 -2.738 357 H ILE 50 H ILE 50 -2.635 6.382 -3.000 358 HA ILE 50 HA ILE 50 -1.534 6.790 -0.561 359 HB ILE 50 HB ILE 50 -0.627 4.686 -2.530 360 HG12 ILE 50 1HG1 ILE 50 -2.614 4.271 -0.320 361 HG13 ILE 50 2HG1 ILE 50 -3.139 4.951 -1.857 362 HG21 ILE 50 1HG2 ILE 50 0.899 4.981 -0.615 363 HG22 ILE 50 2HG2 ILE 50 -0.452 4.690 0.479 364 HG23 ILE 50 3HG2 ILE 50 0.094 3.412 -0.606 365 HD11 ILE 50 3HD1 ILE 50 -3.522 2.753 -2.258 366 HD12 ILE 50 1HD1 ILE 50 -1.851 2.854 -2.811 367 HD13 ILE 50 2HD1 ILE 50 -2.213 2.215 -1.207 368 H GLY 51 H GLY 51 0.246 6.769 -3.637 369 HA2 GLY 51 1HA GLY 51 2.835 6.952 -2.861 370 HA3 GLY 51 2HA GLY 51 2.188 7.891 -4.198 371 H GLU 52 H GLU 52 3.973 8.173 -1.522 372 HA GLU 52 HA GLU 52 2.831 10.617 -0.469 373 HB2 GLU 52 1HB GLU 52 5.464 9.275 0.170 374 HB3 GLU 52 2HB GLU 52 4.738 10.600 1.067 375 HG2 GLU 52 1HG GLU 52 3.379 7.947 0.721 376 HG3 GLU 52 2HG GLU 52 4.485 8.289 2.050 377 H THR 53 H THR 53 5.802 9.673 -2.181 378 HA THR 53 HA THR 53 6.185 12.503 -2.910 379 HB THR 53 HB THR 53 8.568 11.892 -3.335 380 HG1 THR 53 1HG THR 53 9.150 9.864 -3.203 381 HG21 THR 53 3HG2 THR 53 8.502 11.087 -0.589 382 HG22 THR 53 1HG2 THR 53 7.256 12.302 -0.870 383 HG23 THR 53 2HG2 THR 53 8.937 12.652 -1.274 384 H SER 54 H SER 54 6.448 9.178 -4.128 385 HA SER 54 HA SER 54 5.730 10.147 -6.788 386 HB2 SER 54 1HB SER 54 8.213 8.536 -6.171 387 HB3 SER 54 2HB SER 54 7.528 8.673 -7.790 388 HG SER 54 HG SER 54 8.834 10.585 -6.234 389 H CYS 55 H CYS 55 5.017 8.431 -8.228 390 HA CYS 55 HA CYS 55 3.498 6.445 -6.793 391 HB2 CYS 55 1HB CYS 55 2.479 5.945 -8.940 392 HB3 CYS 55 2HB CYS 55 2.541 7.688 -8.710 393 HG CYS 55 HG CYS 55 3.123 6.619 -11.415 394 H GLY 56 H GLY 56 6.226 5.995 -6.478 395 HA2 GLY 56 1HA GLY 56 6.641 3.565 -8.109 396 HA3 GLY 56 2HA GLY 56 7.954 4.574 -7.521 397 H PHE 57 H PHE 57 8.800 4.195 -5.543 398 HA PHE 57 HA PHE 57 8.470 1.745 -4.302 399 HB2 PHE 57 1HB PHE 57 9.533 4.359 -3.229 400 HB3 PHE 57 2HB PHE 57 9.603 2.854 -2.317 401 HD1 PHE 57 2HD PHE 57 10.884 4.673 -5.224 402 HD2 PHE 57 1HD PHE 57 11.123 1.097 -2.929 403 HE1 PHE 57 2HE PHE 57 12.987 4.089 -6.360 404 HE2 PHE 57 1HE PHE 57 13.227 0.507 -4.061 405 HZ PHE 57 HZ PHE 57 14.161 2.003 -5.780 406 H PHE 58 H PHE 58 6.481 1.087 -3.691 407 HA PHE 58 HA PHE 58 5.305 2.364 -1.377 408 HB2 PHE 58 1HB PHE 58 3.314 3.056 -2.273 409 HB3 PHE 58 2HB PHE 58 4.350 3.315 -3.673 410 HD1 PHE 58 2HD PHE 58 1.908 1.002 -2.151 411 HD2 PHE 58 1HD PHE 58 4.025 2.113 -5.672 412 HE1 PHE 58 2HE PHE 58 0.476 -0.494 -3.480 413 HE2 PHE 58 1HE PHE 58 2.596 0.619 -7.007 414 HZ PHE 58 HZ PHE 58 0.820 -0.688 -5.911 415 H LYS 59 H LYS 59 4.925 0.760 -0.015 416 HA LYS 59 HA LYS 59 4.746 -1.964 -0.895 417 HB2 LYS 59 1HB LYS 59 4.612 -2.522 1.457 418 HB3 LYS 59 2HB LYS 59 5.862 -1.309 1.217 419 HG2 LYS 59 1HG LYS 59 4.839 -0.424 3.036 420 HG3 LYS 59 2HG LYS 59 3.862 0.333 1.775 421 HD2 LYS 59 1HD LYS 59 2.333 -1.718 2.012 422 HD3 LYS 59 2HD LYS 59 3.188 -2.011 3.528 423 HE2 LYS 59 1HE LYS 59 2.001 0.674 2.931 424 HE3 LYS 59 2HE LYS 59 0.998 -0.632 3.560 425 HZ1 LYS 59 3HZ LYS 59 3.243 -0.588 5.152 426 HZ2 LYS 59 1HZ LYS 59 1.694 -0.046 5.565 427 HZ3 LYS 59 2HZ LYS 59 2.831 1.039 4.939 428 H CYS 60 H CYS 60 2.980 -3.417 -0.182 429 HA CYS 60 HA CYS 60 0.445 -2.339 -0.997 430 HB2 CYS 60 1HB CYS 60 1.122 -4.587 -1.689 431 HB3 CYS 60 2HB CYS 60 1.189 -5.099 -0.006 432 HA PRO 61 HA PRO 61 -0.921 -1.251 3.077 433 HB2 PRO 61 1HB PRO 61 -3.506 -0.741 2.422 434 HB3 PRO 61 2HB PRO 61 -2.182 0.368 2.045 435 HG2 PRO 61 1HG PRO 61 -3.540 -1.631 0.278 436 HG3 PRO 61 2HG PRO 61 -3.051 0.035 -0.086 437 HD2 PRO 61 1HD PRO 61 -1.602 -2.114 -0.871 438 HD3 PRO 61 2HD PRO 61 -0.855 -0.558 -0.456 439 H LEU 62 H LEU 62 -2.207 -3.817 1.134 440 HA LEU 62 HA LEU 62 -3.929 -4.840 3.224 441 HB2 LEU 62 1HB LEU 62 -3.261 -5.631 0.430 442 HB3 LEU 62 2HB LEU 62 -3.960 -6.835 1.511 443 HG LEU 62 HG LEU 62 -5.244 -4.187 0.849 444 HD11 LEU 62 1HD1 LEU 62 -6.847 -5.982 -0.299 445 HD12 LEU 62 2HD1 LEU 62 -5.310 -6.822 -0.494 446 HD13 LEU 62 3HD1 LEU 62 -5.518 -5.202 -1.157 447 HD21 LEU 62 3HD2 LEU 62 -5.708 -6.016 2.923 448 HD22 LEU 62 1HD2 LEU 62 -6.999 -6.271 1.748 449 HD23 LEU 62 2HD2 LEU 62 -6.729 -4.666 2.427 450 H CYS 63 H CYS 63 -0.979 -5.930 1.552 451 HA CYS 63 HA CYS 63 -0.359 -7.564 3.925 452 HB2 CYS 63 1HB CYS 63 0.702 -9.210 2.462 453 HB3 CYS 63 2HB CYS 63 -0.988 -8.991 2.020 454 H LYS 64 H LYS 64 1.427 -6.946 4.928 455 HA LYS 64 HA LYS 64 3.212 -5.033 3.728 456 HB2 LYS 64 1HB LYS 64 3.362 -6.447 6.398 457 HB3 LYS 64 2HB LYS 64 4.371 -5.094 5.902 458 HG2 LYS 64 1HG LYS 64 1.428 -4.735 5.804 459 HG3 LYS 64 2HG LYS 64 2.212 -4.765 7.386 460 HD2 LYS 64 1HD LYS 64 3.356 -3.056 5.223 461 HD3 LYS 64 2HD LYS 64 1.915 -2.508 6.083 462 HE2 LYS 64 1HE LYS 64 4.352 -3.450 7.558 463 HE3 LYS 64 2HE LYS 64 4.221 -1.792 6.973 464 HZ1 LYS 64 3HZ LYS 64 3.375 -2.540 9.359 465 HZ2 LYS 64 1HZ LYS 64 1.956 -2.825 8.483 466 HZ3 LYS 64 2HZ LYS 64 2.650 -1.283 8.491 467 H THR 65 H THR 65 3.794 -6.574 1.958 468 HA THR 65 HA THR 65 5.898 -8.454 2.799 469 HB THR 65 HB THR 65 3.985 -9.406 1.484 470 HG1 THR 65 1HG THR 65 5.534 -10.362 -0.146 471 HG21 THR 65 3HG2 THR 65 3.259 -8.244 -0.278 472 HG22 THR 65 1HG2 THR 65 4.721 -8.749 -1.123 473 HG23 THR 65 2HG2 THR 65 4.687 -7.210 -0.264 474 H SER 66 H SER 66 7.667 -8.718 1.103 475 HA SER 66 HA SER 66 8.919 -6.185 0.729 476 HB2 SER 66 1HB SER 66 9.701 -8.940 -0.252 477 HB3 SER 66 2HB SER 66 10.726 -7.509 -0.354 478 HG SER 66 HG SER 66 10.917 -9.032 1.548 479 H VAL 67 H VAL 67 8.141 -4.825 -0.759 480 HA VAL 67 HA VAL 67 8.202 -5.627 -3.540 481 HB VAL 67 HB VAL 67 5.928 -6.239 -3.022 482 HG11 VAL 67 1HG1 VAL 67 4.343 -4.811 -1.994 483 HG12 VAL 67 2HG1 VAL 67 5.793 -4.745 -0.990 484 HG13 VAL 67 3HG1 VAL 67 5.424 -3.421 -2.096 485 HG21 VAL 67 3HG2 VAL 67 6.668 -4.488 -5.010 486 HG22 VAL 67 1HG2 VAL 67 5.137 -5.359 -4.918 487 HG23 VAL 67 2HG2 VAL 67 5.252 -3.710 -4.304 488 H ARG 68 H ARG 68 8.805 -3.981 -4.830 489 HA ARG 68 HA ARG 68 8.935 -1.302 -3.615 490 HB2 ARG 68 1HB ARG 68 10.692 -2.641 -5.670 491 HB3 ARG 68 2HB ARG 68 10.757 -0.915 -5.339 492 HG2 ARG 68 1HG ARG 68 12.488 -1.854 -4.075 493 HG3 ARG 68 2HG ARG 68 11.190 -1.545 -2.919 494 HD2 ARG 68 1HD ARG 68 12.187 -3.736 -2.544 495 HD3 ARG 68 2HD ARG 68 10.508 -3.888 -3.059 496 HE ARG 68 HE ARG 68 12.251 -4.040 -5.285 497 HH11 ARG 68 2HH1 ARG 68 11.131 -5.870 -2.544 498 HH12 ARG 68 1HH1 ARG 68 11.397 -7.408 -3.297 499 HH21 ARG 68 2HH2 ARG 68 12.605 -6.058 -6.287 500 HH22 ARG 68 1HH2 ARG 68 12.237 -7.513 -5.426 501 H LYS 69 H LYS 69 8.213 -3.075 -6.582 502 HA LYS 69 HA LYS 69 6.405 -0.941 -7.388 503 HB2 LYS 69 1HB LYS 69 8.723 -1.887 -9.073 504 HB3 LYS 69 2HB LYS 69 7.342 -1.025 -9.738 505 HG2 LYS 69 1HG LYS 69 9.052 0.081 -7.528 506 HG3 LYS 69 2HG LYS 69 9.374 0.367 -9.240 507 HD2 LYS 69 1HD LYS 69 6.634 0.910 -8.221 508 HD3 LYS 69 2HD LYS 69 7.919 2.042 -7.792 509 HE2 LYS 69 1HE LYS 69 7.358 1.166 -10.618 510 HE3 LYS 69 2HE LYS 69 6.627 2.593 -9.885 511 HZ1 LYS 69 3HZ LYS 69 8.808 2.800 -11.251 512 HZ2 LYS 69 1HZ LYS 69 9.548 2.285 -9.819 513 HZ3 LYS 69 2HZ LYS 69 8.618 3.698 -9.831 514 H ASN 70 H ASN 70 5.364 -1.675 -9.615 515 HA ASN 70 HA ASN 70 4.516 -4.456 -9.200 516 HB2 ASN 70 1HB ASN 70 2.540 -3.754 -10.634 517 HB3 ASN 70 2HB ASN 70 2.651 -2.988 -9.051 518 HD21 ASN 70 1HD2 ASN 70 2.395 -0.881 -9.008 519 HD22 ASN 70 2HD2 ASN 70 2.627 0.201 -10.334 520 H ALA 71 H ALA 71 4.069 -5.772 -11.090 521 HA ALA 71 HA ALA 71 6.048 -5.296 -13.192 522 HB1 ALA 71 3HB ALA 71 4.679 -7.823 -13.400 523 HB2 ALA 71 1HB ALA 71 6.393 -7.490 -13.152 524 HB3 ALA 71 2HB ALA 71 5.301 -7.575 -11.769 525 H ILE 72 H ILE 72 5.173 -3.989 -14.711 526 HA ILE 72 HA ILE 72 2.456 -4.050 -15.514 527 HB ILE 72 HB ILE 72 3.011 -2.461 -17.160 528 HG12 ILE 72 1HG1 ILE 72 4.792 -3.697 -18.284 529 HG13 ILE 72 2HG1 ILE 72 5.322 -2.056 -17.930 530 HG21 ILE 72 1HG2 ILE 72 5.058 -2.051 -14.987 531 HG22 ILE 72 2HG2 ILE 72 4.280 -0.811 -15.968 532 HG23 ILE 72 3HG2 ILE 72 3.333 -1.735 -14.802 533 HD11 ILE 72 3HD1 ILE 72 7.078 -3.678 -17.498 534 HD12 ILE 72 1HD1 ILE 72 6.579 -2.869 -16.013 535 HD13 ILE 72 2HD1 ILE 72 6.034 -4.513 -16.348 536 H ARG 73 H ARG 73 1.538 -4.777 -17.468 537 HA ARG 73 HA ARG 73 2.199 -7.341 -18.272 538 HB2 ARG 73 1HB ARG 73 0.670 -6.998 -20.149 539 HB3 ARG 73 2HB ARG 73 0.003 -6.327 -18.667 540 HG2 ARG 73 1HG ARG 73 1.113 -4.117 -19.549 541 HG3 ARG 73 2HG ARG 73 0.988 -4.941 -21.104 542 HD2 ARG 73 1HD ARG 73 -1.345 -5.060 -20.984 543 HD3 ARG 73 2HD ARG 73 -1.359 -4.750 -19.248 544 HE ARG 73 HE ARG 73 -1.328 -2.505 -19.686 545 HH11 ARG 73 2HH1 ARG 73 -0.410 -4.239 -22.562 546 HH12 ARG 73 1HH1 ARG 73 -0.426 -2.832 -23.573 547 HH21 ARG 73 2HH2 ARG 73 -1.352 -0.645 -21.007 548 HH22 ARG 73 1HH2 ARG 73 -0.961 -0.788 -22.687 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -2.942 -44.667 -4.102 2 HA2 GLY 1 1HA GLY 1 -2.811 -42.415 -5.978 3 HA3 GLY 1 2HA GLY 1 -4.002 -43.674 -6.272 4 H SER 2 H SER 2 -4.957 -41.202 -5.994 5 HA SER 2 HA SER 2 -6.592 -41.424 -3.642 6 HB2 SER 2 1HB SER 2 -4.393 -39.422 -3.796 7 HB3 SER 2 2HB SER 2 -5.937 -38.879 -3.139 8 HG SER 2 HG SER 2 -5.807 -40.539 -1.605 9 H SER 3 H SER 3 -8.338 -39.845 -3.615 10 HA SER 3 HA SER 3 -8.716 -38.212 -5.977 11 HB2 SER 3 1HB SER 3 -10.576 -40.527 -5.384 12 HB3 SER 3 2HB SER 3 -10.836 -39.294 -6.618 13 HG SER 3 HG SER 3 -9.901 -41.167 -7.509 14 H GLY 4 H GLY 4 -11.106 -37.301 -5.875 15 HA2 GLY 4 1HA GLY 4 -12.126 -37.001 -3.183 16 HA3 GLY 4 2HA GLY 4 -11.360 -35.558 -3.832 17 H SER 5 H SER 5 -13.842 -35.143 -3.191 18 HA SER 5 HA SER 5 -15.206 -34.940 -5.763 19 HB2 SER 5 1HB SER 5 -16.379 -36.250 -3.309 20 HB3 SER 5 2HB SER 5 -17.379 -35.616 -4.616 21 HG SER 5 HG SER 5 -15.393 -37.635 -4.815 22 H SER 6 H SER 6 -16.933 -33.353 -5.763 23 HA SER 6 HA SER 6 -17.005 -31.533 -3.481 24 HB2 SER 6 1HB SER 6 -16.194 -30.706 -6.276 25 HB3 SER 6 2HB SER 6 -16.653 -29.571 -5.008 26 HG SER 6 HG SER 6 -14.779 -29.850 -4.082 27 H GLY 7 H GLY 7 -18.880 -30.313 -3.330 28 HA2 GLY 7 1HA GLY 7 -20.793 -30.167 -5.454 29 HA3 GLY 7 2HA GLY 7 -21.242 -31.369 -4.253 30 H MET 8 H MET 8 -20.876 -27.983 -4.934 31 HA MET 8 HA MET 8 -22.471 -27.383 -2.552 32 HB2 MET 8 1HB MET 8 -21.081 -25.376 -2.105 33 HB3 MET 8 2HB MET 8 -20.206 -26.884 -1.874 34 HG2 MET 8 1HG MET 8 -19.277 -26.581 -4.185 35 HG3 MET 8 2HG MET 8 -19.990 -24.969 -4.177 36 HE1 MET 8 3HE MET 8 -16.901 -24.114 -4.469 37 HE2 MET 8 1HE MET 8 -15.955 -25.345 -3.633 38 HE3 MET 8 2HE MET 8 -17.210 -25.824 -4.775 39 H ALA 9 H ALA 9 -24.198 -26.226 -3.082 40 HA ALA 9 HA ALA 9 -24.162 -24.737 -5.620 41 HB1 ALA 9 3HB ALA 9 -26.400 -26.032 -4.090 42 HB2 ALA 9 1HB ALA 9 -26.689 -24.870 -5.385 43 HB3 ALA 9 2HB ALA 9 -25.842 -26.380 -5.726 44 H SER 10 H SER 10 -24.679 -22.602 -5.692 45 HA SER 10 HA SER 10 -25.932 -21.212 -3.540 46 HB2 SER 10 1HB SER 10 -23.414 -21.646 -2.876 47 HB3 SER 10 2HB SER 10 -23.117 -20.287 -3.961 48 HG SER 10 HG SER 10 -23.532 -19.215 -2.176 49 H GLY 11 H GLY 11 -27.081 -19.687 -4.512 50 HA2 GLY 11 1HA GLY 11 -26.249 -17.581 -5.999 51 HA3 GLY 11 2HA GLY 11 -26.437 -18.850 -7.200 52 H GLN 12 H GLN 12 -28.034 -16.575 -5.179 53 HA GLN 12 HA GLN 12 -30.619 -17.451 -5.030 54 HB2 GLN 12 1HB GLN 12 -29.533 -15.206 -4.281 55 HB3 GLN 12 2HB GLN 12 -30.068 -14.619 -5.850 56 HG2 GLN 12 1HG GLN 12 -32.024 -16.000 -4.083 57 HG3 GLN 12 2HG GLN 12 -31.560 -14.339 -3.722 58 HE21 GLN 12 1HE2 GLN 12 -31.436 -13.035 -5.949 59 HE22 GLN 12 2HE2 GLN 12 -32.896 -13.123 -6.868 60 H PHE 13 H PHE 13 -32.532 -16.722 -6.323 61 HA PHE 13 HA PHE 13 -32.135 -17.487 -9.076 62 HB2 PHE 13 1HB PHE 13 -34.512 -16.990 -7.325 63 HB3 PHE 13 2HB PHE 13 -34.721 -17.003 -9.073 64 HD1 PHE 13 2HD PHE 13 -33.929 -19.004 -6.122 65 HD2 PHE 13 1HD PHE 13 -34.458 -19.039 -10.345 66 HE1 PHE 13 2HE PHE 13 -34.053 -21.461 -6.082 67 HE2 PHE 13 1HE PHE 13 -34.584 -21.496 -10.312 68 HZ PHE 13 HZ PHE 13 -34.380 -22.710 -8.180 69 H VAL 14 H VAL 14 -30.806 -15.133 -8.615 70 HA VAL 14 HA VAL 14 -32.474 -12.940 -9.548 71 HB VAL 14 HB VAL 14 -30.798 -12.479 -7.823 72 HG11 VAL 14 1HG1 VAL 14 -28.723 -13.270 -7.902 73 HG12 VAL 14 2HG1 VAL 14 -29.157 -14.121 -9.386 74 HG13 VAL 14 3HG1 VAL 14 -28.439 -12.512 -9.468 75 HG21 VAL 14 3HG2 VAL 14 -31.439 -10.664 -9.287 76 HG22 VAL 14 1HG2 VAL 14 -29.721 -10.537 -8.908 77 HG23 VAL 14 2HG2 VAL 14 -30.234 -11.158 -10.477 78 H ASN 15 H ASN 15 -32.465 -12.095 -11.562 79 HA ASN 15 HA ASN 15 -31.299 -13.659 -13.673 80 HB2 ASN 15 1HB ASN 15 -33.534 -12.647 -13.907 81 HB3 ASN 15 2HB ASN 15 -32.816 -11.043 -13.800 82 HD21 ASN 15 1HD2 ASN 15 -33.022 -10.172 -15.739 83 HD22 ASN 15 2HD2 ASN 15 -32.556 -10.910 -17.230 84 H LYS 16 H LYS 16 -30.790 -10.435 -12.309 85 HA LYS 16 HA LYS 16 -28.591 -9.914 -14.135 86 HB2 LYS 16 1HB LYS 16 -30.146 -8.335 -12.157 87 HB3 LYS 16 2HB LYS 16 -28.486 -7.833 -12.446 88 HG2 LYS 16 1HG LYS 16 -30.506 -8.222 -14.639 89 HG3 LYS 16 2HG LYS 16 -30.213 -6.677 -13.837 90 HD2 LYS 16 1HD LYS 16 -27.891 -8.168 -14.959 91 HD3 LYS 16 2HD LYS 16 -28.967 -7.318 -16.071 92 HE2 LYS 16 1HE LYS 16 -27.322 -5.743 -15.576 93 HE3 LYS 16 2HE LYS 16 -28.656 -5.304 -14.510 94 HZ1 LYS 16 3HZ LYS 16 -26.171 -5.577 -13.659 95 HZ2 LYS 16 1HZ LYS 16 -26.694 -7.171 -13.441 96 HZ3 LYS 16 2HZ LYS 16 -27.509 -5.902 -12.677 97 H LEU 17 H LEU 17 -26.616 -10.632 -13.726 98 HA LEU 17 HA LEU 17 -25.844 -11.761 -11.248 99 HB2 LEU 17 1HB LEU 17 -23.724 -12.125 -12.234 100 HB3 LEU 17 2HB LEU 17 -24.929 -12.359 -13.498 101 HG LEU 17 HG LEU 17 -23.145 -11.211 -14.514 102 HD11 LEU 17 1HD1 LEU 17 -25.267 -9.209 -13.756 103 HD12 LEU 17 2HD1 LEU 17 -25.294 -10.307 -15.136 104 HD13 LEU 17 3HD1 LEU 17 -24.104 -9.007 -15.067 105 HD21 LEU 17 3HD2 LEU 17 -21.774 -9.730 -13.522 106 HD22 LEU 17 1HD2 LEU 17 -22.468 -10.368 -12.031 107 HD23 LEU 17 2HD2 LEU 17 -23.098 -8.876 -12.729 108 H GLN 18 H GLN 18 -24.359 -11.033 -9.706 109 HA GLN 18 HA GLN 18 -23.638 -8.190 -9.815 110 HB2 GLN 18 1HB GLN 18 -24.822 -9.568 -7.398 111 HB3 GLN 18 2HB GLN 18 -24.274 -7.898 -7.472 112 HG2 GLN 18 1HG GLN 18 -26.349 -8.792 -9.401 113 HG3 GLN 18 2HG GLN 18 -26.812 -8.532 -7.720 114 HE21 GLN 18 1HE2 GLN 18 -26.860 -6.476 -6.899 115 HE22 GLN 18 2HE2 GLN 18 -26.691 -5.063 -7.877 116 H GLU 19 H GLU 19 -21.678 -9.598 -10.505 117 HA GLU 19 HA GLU 19 -20.160 -10.402 -8.115 118 HB2 GLU 19 1HB GLU 19 -20.176 -11.344 -10.939 119 HB3 GLU 19 2HB GLU 19 -18.643 -11.380 -10.078 120 HG2 GLU 19 1HG GLU 19 -19.984 -12.606 -8.237 121 HG3 GLU 19 2HG GLU 19 -21.155 -12.894 -9.523 122 H GLU 20 H GLU 20 -20.464 -7.667 -8.788 123 HA GLU 20 HA GLU 20 -18.181 -6.728 -10.223 124 HB2 GLU 20 1HB GLU 20 -19.989 -5.258 -8.296 125 HB3 GLU 20 2HB GLU 20 -18.836 -4.510 -9.392 126 HG2 GLU 20 1HG GLU 20 -21.070 -6.251 -10.377 127 HG3 GLU 20 2HG GLU 20 -21.278 -4.525 -10.088 128 H VAL 21 H VAL 21 -16.325 -5.711 -9.410 129 HA VAL 21 HA VAL 21 -15.564 -6.620 -6.724 130 HB VAL 21 HB VAL 21 -13.809 -5.658 -8.988 131 HG11 VAL 21 1HG1 VAL 21 -12.263 -5.379 -7.413 132 HG12 VAL 21 2HG1 VAL 21 -13.307 -6.078 -6.174 133 HG13 VAL 21 3HG1 VAL 21 -12.297 -7.125 -7.173 134 HG21 VAL 21 3HG2 VAL 21 -13.939 -8.464 -7.946 135 HG22 VAL 21 1HG2 VAL 21 -15.060 -7.906 -9.188 136 HG23 VAL 21 2HG2 VAL 21 -13.323 -7.878 -9.491 137 H ILE 22 H ILE 22 -15.009 -5.234 -5.134 138 HA ILE 22 HA ILE 22 -15.071 -2.357 -5.777 139 HB ILE 22 HB ILE 22 -15.843 -3.637 -3.153 140 HG12 ILE 22 1HG1 ILE 22 -17.644 -2.405 -5.248 141 HG13 ILE 22 2HG1 ILE 22 -17.412 -4.138 -5.041 142 HG21 ILE 22 1HG2 ILE 22 -16.264 -0.808 -4.096 143 HG22 ILE 22 2HG2 ILE 22 -16.583 -1.463 -2.491 144 HG23 ILE 22 3HG2 ILE 22 -14.924 -1.318 -3.069 145 HD11 ILE 22 3HD1 ILE 22 -19.458 -2.962 -3.972 146 HD12 ILE 22 1HD1 ILE 22 -18.578 -4.190 -3.061 147 HD13 ILE 22 2HD1 ILE 22 -18.302 -2.479 -2.731 148 H CYS 23 H CYS 23 -13.641 -0.978 -4.670 149 HA CYS 23 HA CYS 23 -11.098 -2.159 -4.080 150 HB2 CYS 23 1HB CYS 23 -11.322 0.019 -5.238 151 HB3 CYS 23 2HB CYS 23 -12.001 0.712 -3.768 152 HA PRO 24 HA PRO 24 -11.951 -2.766 0.248 153 HB2 PRO 24 1HB PRO 24 -9.477 -3.678 0.894 154 HB3 PRO 24 2HB PRO 24 -10.682 -4.673 0.069 155 HG2 PRO 24 1HG PRO 24 -8.356 -3.176 -1.076 156 HG3 PRO 24 2HG PRO 24 -8.931 -4.811 -1.455 157 HD2 PRO 24 1HD PRO 24 -9.482 -2.674 -3.023 158 HD3 PRO 24 2HD PRO 24 -10.603 -4.038 -2.840 159 H ILE 25 H ILE 25 -10.304 -0.327 -1.162 160 HA ILE 25 HA ILE 25 -9.172 0.690 1.354 161 HB ILE 25 HB ILE 25 -8.681 1.580 -1.489 162 HG12 ILE 25 1HG1 ILE 25 -6.857 0.238 0.519 163 HG13 ILE 25 2HG1 ILE 25 -7.612 -0.558 -0.857 164 HG21 ILE 25 1HG2 ILE 25 -8.485 3.544 -0.257 165 HG22 ILE 25 2HG2 ILE 25 -7.809 2.712 1.143 166 HG23 ILE 25 3HG2 ILE 25 -6.832 2.931 -0.309 167 HD11 ILE 25 3HD1 ILE 25 -5.158 0.861 -0.739 168 HD12 ILE 25 1HD1 ILE 25 -5.876 -0.002 -2.099 169 HD13 ILE 25 2HD1 ILE 25 -6.245 1.704 -1.842 170 H CYS 26 H CYS 26 -10.821 2.008 -1.526 171 HA CYS 26 HA CYS 26 -12.008 4.087 0.153 172 HB2 CYS 26 1HB CYS 26 -12.743 5.043 -2.063 173 HB3 CYS 26 2HB CYS 26 -11.000 4.942 -1.837 174 H LEU 27 H LEU 27 -12.801 1.128 -1.365 175 HA LEU 27 HA LEU 27 -14.708 -0.116 -1.369 176 HB2 LEU 27 1HB LEU 27 -16.035 2.087 0.185 177 HB3 LEU 27 2HB LEU 27 -16.468 0.379 0.135 178 HG LEU 27 HG LEU 27 -13.878 1.357 1.315 179 HD11 LEU 27 1HD1 LEU 27 -16.083 2.276 2.355 180 HD12 LEU 27 2HD1 LEU 27 -14.827 1.607 3.396 181 HD13 LEU 27 3HD1 LEU 27 -16.242 0.637 2.988 182 HD21 LEU 27 3HD2 LEU 27 -14.191 -1.055 0.627 183 HD22 LEU 27 1HD2 LEU 27 -15.428 -1.159 1.879 184 HD23 LEU 27 2HD2 LEU 27 -13.761 -0.781 2.316 185 H ASP 28 H ASP 28 -14.186 1.422 -3.569 186 HA ASP 28 HA ASP 28 -16.882 2.270 -4.404 187 HB2 ASP 28 1HB ASP 28 -15.424 4.218 -4.257 188 HB3 ASP 28 2HB ASP 28 -14.223 3.423 -5.271 189 H ILE 29 H ILE 29 -17.618 1.568 -6.372 190 HA ILE 29 HA ILE 29 -16.980 -0.857 -7.366 191 HB ILE 29 HB ILE 29 -17.885 1.495 -9.031 192 HG12 ILE 29 1HG1 ILE 29 -19.568 -0.681 -7.788 193 HG13 ILE 29 2HG1 ILE 29 -19.266 0.861 -6.994 194 HG21 ILE 29 1HG2 ILE 29 -18.491 0.038 -10.723 195 HG22 ILE 29 2HG2 ILE 29 -16.958 -0.639 -10.175 196 HG23 ILE 29 3HG2 ILE 29 -18.478 -1.367 -9.657 197 HD11 ILE 29 3HD1 ILE 29 -20.231 1.111 -9.737 198 HD12 ILE 29 1HD1 ILE 29 -21.361 0.318 -8.640 199 HD13 ILE 29 2HD1 ILE 29 -20.752 1.931 -8.266 200 H LEU 30 H LEU 30 -14.932 -1.513 -7.705 201 HA LEU 30 HA LEU 30 -12.847 0.039 -8.753 202 HB2 LEU 30 1HB LEU 30 -13.320 -2.855 -8.302 203 HB3 LEU 30 2HB LEU 30 -11.997 -2.405 -9.376 204 HG LEU 30 HG LEU 30 -12.203 -1.243 -6.619 205 HD11 LEU 30 1HD1 LEU 30 -10.731 -3.047 -5.834 206 HD12 LEU 30 2HD1 LEU 30 -10.945 -3.876 -7.376 207 HD13 LEU 30 3HD1 LEU 30 -12.324 -3.640 -6.303 208 HD21 LEU 30 3HD2 LEU 30 -9.792 -1.023 -6.881 209 HD22 LEU 30 1HD2 LEU 30 -10.640 -0.236 -8.213 210 HD23 LEU 30 2HD2 LEU 30 -9.879 -1.809 -8.459 211 H GLN 31 H GLN 31 -13.345 1.086 -10.639 212 HA GLN 31 HA GLN 31 -14.566 -0.185 -12.871 213 HB2 GLN 31 1HB GLN 31 -13.953 1.871 -14.095 214 HB3 GLN 31 2HB GLN 31 -14.753 2.214 -12.567 215 HG2 GLN 31 1HG GLN 31 -12.637 2.748 -11.535 216 HG3 GLN 31 2HG GLN 31 -11.778 2.302 -13.008 217 HE21 GLN 31 1HE2 GLN 31 -10.981 4.563 -12.558 218 HE22 GLN 31 2HE2 GLN 31 -11.851 5.855 -13.305 219 H LYS 32 H LYS 32 -11.227 0.572 -12.001 220 HA LYS 32 HA LYS 32 -10.344 -1.218 -14.165 221 HB2 LYS 32 1HB LYS 32 -9.307 1.492 -13.404 222 HB3 LYS 32 2HB LYS 32 -8.230 0.311 -14.136 223 HG2 LYS 32 1HG LYS 32 -9.624 0.190 -16.098 224 HG3 LYS 32 2HG LYS 32 -10.814 1.262 -15.356 225 HD2 LYS 32 1HD LYS 32 -7.983 2.173 -15.640 226 HD3 LYS 32 2HD LYS 32 -9.052 2.208 -17.044 227 HE2 LYS 32 1HE LYS 32 -9.723 3.476 -14.395 228 HE3 LYS 32 2HE LYS 32 -8.953 4.340 -15.725 229 HZ1 LYS 32 3HZ LYS 32 -11.706 3.479 -15.423 230 HZ2 LYS 32 1HZ LYS 32 -11.047 3.262 -16.967 231 HZ3 LYS 32 2HZ LYS 32 -11.070 4.801 -16.266 232 HA PRO 33 HA PRO 33 -8.751 -2.881 -10.198 233 HB2 PRO 33 1HB PRO 33 -8.897 -5.474 -10.990 234 HB3 PRO 33 2HB PRO 33 -10.277 -4.595 -10.320 235 HG2 PRO 33 1HG PRO 33 -9.602 -5.166 -13.180 236 HG3 PRO 33 2HG PRO 33 -11.172 -5.260 -12.360 237 HD2 PRO 33 1HD PRO 33 -10.462 -3.157 -13.912 238 HD3 PRO 33 2HD PRO 33 -11.521 -2.986 -12.497 239 H VAL 34 H VAL 34 -6.616 -2.474 -10.137 240 HA VAL 34 HA VAL 34 -4.889 -3.625 -12.216 241 HB VAL 34 HB VAL 34 -4.279 -1.477 -10.179 242 HG11 VAL 34 1HG1 VAL 34 -2.200 -1.162 -11.464 243 HG12 VAL 34 2HG1 VAL 34 -2.289 -2.754 -10.707 244 HG13 VAL 34 3HG1 VAL 34 -2.605 -2.578 -12.433 245 HG21 VAL 34 3HG2 VAL 34 -5.464 -1.419 -12.826 246 HG22 VAL 34 1HG2 VAL 34 -5.340 -0.142 -11.616 247 HG23 VAL 34 2HG2 VAL 34 -4.004 -0.434 -12.730 248 H THR 35 H THR 35 -3.768 -5.392 -11.762 249 HA THR 35 HA THR 35 -3.543 -6.287 -8.998 250 HB THR 35 HB THR 35 -2.744 -7.721 -11.539 251 HG1 THR 35 1HG THR 35 -4.996 -7.390 -11.439 252 HG21 THR 35 3HG2 THR 35 -3.346 -9.537 -9.496 253 HG22 THR 35 1HG2 THR 35 -2.337 -8.302 -8.743 254 HG23 THR 35 2HG2 THR 35 -1.755 -9.172 -10.162 255 H ILE 36 H ILE 36 -1.721 -6.234 -7.838 256 HA ILE 36 HA ILE 36 0.717 -5.272 -9.161 257 HB ILE 36 HB ILE 36 1.498 -4.772 -6.831 258 HG12 ILE 36 1HG1 ILE 36 -1.374 -5.442 -6.154 259 HG13 ILE 36 2HG1 ILE 36 0.048 -6.334 -5.627 260 HG21 ILE 36 1HG2 ILE 36 -0.258 -3.369 -8.490 261 HG22 ILE 36 2HG2 ILE 36 -0.887 -3.165 -6.856 262 HG23 ILE 36 3HG2 ILE 36 0.776 -2.708 -7.224 263 HD11 ILE 36 3HD1 ILE 36 0.801 -4.310 -4.416 264 HD12 ILE 36 1HD1 ILE 36 -0.718 -3.531 -4.855 265 HD13 ILE 36 2HD1 ILE 36 -0.727 -4.965 -3.829 266 H ASP 37 H ASP 37 2.728 -6.021 -7.670 267 HA ASP 37 HA ASP 37 3.308 -8.623 -8.352 268 HB2 ASP 37 1HB ASP 37 4.806 -6.687 -7.385 269 HB3 ASP 37 2HB ASP 37 4.496 -7.491 -5.849 270 H CYS 38 H CYS 38 1.979 -7.415 -5.298 271 HA CYS 38 HA CYS 38 1.982 -9.883 -3.936 272 HB2 CYS 38 1HB CYS 38 0.883 -8.781 -2.242 273 HB3 CYS 38 2HB CYS 38 1.565 -7.408 -3.107 274 H GLY 39 H GLY 39 -0.208 -8.464 -6.247 275 HA2 GLY 39 1HA GLY 39 -1.576 -9.989 -7.558 276 HA3 GLY 39 2HA GLY 39 -1.847 -10.913 -6.088 277 H HIS 40 H HIS 40 -2.573 -9.045 -4.272 278 HA HIS 40 HA HIS 40 -5.221 -8.713 -4.473 279 HB2 HIS 40 1HB HIS 40 -3.279 -6.710 -3.307 280 HB3 HIS 40 2HB HIS 40 -5.016 -6.687 -3.017 281 HD2 HIS 40 2HD HIS 40 -4.894 -10.159 -2.664 282 HE1 HIS 40 1HE HIS 40 -2.913 -8.966 0.893 283 HE2 HIS 40 2HE HIS 40 -4.013 -10.868 -0.338 284 H ASN 41 H ASN 41 -6.703 -7.197 -5.239 285 HA ASN 41 HA ASN 41 -5.712 -5.574 -7.476 286 HB2 ASN 41 1HB ASN 41 -8.396 -6.808 -6.882 287 HB3 ASN 41 2HB ASN 41 -8.204 -5.554 -8.104 288 HD21 ASN 41 1HD2 ASN 41 -7.405 -8.820 -7.193 289 HD22 ASN 41 2HD2 ASN 41 -6.909 -9.346 -8.762 290 H PHE 42 H PHE 42 -5.809 -3.421 -7.410 291 HA PHE 42 HA PHE 42 -7.524 -2.157 -5.379 292 HB2 PHE 42 1HB PHE 42 -4.664 -1.470 -6.072 293 HB3 PHE 42 2HB PHE 42 -5.713 -0.426 -5.119 294 HD1 PHE 42 1HD PHE 42 -6.860 -1.624 -3.062 295 HD2 PHE 42 2HD PHE 42 -3.281 -2.925 -4.963 296 HE1 PHE 42 1HE PHE 42 -6.222 -2.842 -1.021 297 HE2 PHE 42 2HE PHE 42 -2.638 -4.146 -2.926 298 HZ PHE 42 HZ PHE 42 -4.110 -4.106 -0.952 299 H CYS 43 H CYS 43 -7.669 0.301 -5.841 300 HA CYS 43 HA CYS 43 -8.308 0.591 -8.693 301 HB2 CYS 43 1HB CYS 43 -10.049 1.980 -8.116 302 HB3 CYS 43 2HB CYS 43 -9.990 0.957 -6.685 303 H LEU 44 H LEU 44 -7.431 2.173 -9.927 304 HA LEU 44 HA LEU 44 -4.963 3.203 -9.495 305 HB2 LEU 44 1HB LEU 44 -6.050 3.337 -11.642 306 HB3 LEU 44 2HB LEU 44 -7.233 4.480 -11.010 307 HG LEU 44 HG LEU 44 -5.189 6.007 -10.586 308 HD11 LEU 44 1HD1 LEU 44 -4.028 3.801 -12.183 309 HD12 LEU 44 2HD1 LEU 44 -3.281 4.846 -10.976 310 HD13 LEU 44 3HD1 LEU 44 -3.555 5.446 -12.611 311 HD21 LEU 44 3HD2 LEU 44 -5.301 6.823 -12.932 312 HD22 LEU 44 1HD2 LEU 44 -6.881 6.554 -12.196 313 HD23 LEU 44 2HD2 LEU 44 -6.233 5.383 -13.345 314 H LYS 45 H LYS 45 -7.917 5.166 -9.085 315 HA LYS 45 HA LYS 45 -6.971 7.441 -8.032 316 HB2 LYS 45 1HB LYS 45 -9.281 5.961 -6.768 317 HB3 LYS 45 2HB LYS 45 -9.022 7.700 -6.792 318 HG2 LYS 45 1HG LYS 45 -9.102 7.396 -9.378 319 HG3 LYS 45 2HG LYS 45 -9.930 5.889 -8.979 320 HD2 LYS 45 1HD LYS 45 -10.824 8.421 -7.680 321 HD3 LYS 45 2HD LYS 45 -11.282 8.110 -9.356 322 HE2 LYS 45 1HE LYS 45 -12.282 5.985 -8.693 323 HE3 LYS 45 2HE LYS 45 -11.798 6.268 -7.022 324 HZ1 LYS 45 3HZ LYS 45 -13.236 8.185 -6.943 325 HZ2 LYS 45 1HZ LYS 45 -14.129 6.833 -7.429 326 HZ3 LYS 45 2HZ LYS 45 -13.658 7.990 -8.569 327 H CYS 46 H CYS 46 -7.051 4.345 -6.393 328 HA CYS 46 HA CYS 46 -6.124 5.493 -3.891 329 HB2 CYS 46 1HB CYS 46 -7.088 2.835 -4.796 330 HB3 CYS 46 2HB CYS 46 -5.940 2.846 -3.461 331 H ILE 47 H ILE 47 -4.921 2.713 -5.764 332 HA ILE 47 HA ILE 47 -2.435 2.426 -4.835 333 HB ILE 47 HB ILE 47 -3.161 2.458 -7.766 334 HG12 ILE 47 1HG1 ILE 47 -2.907 0.131 -5.852 335 HG13 ILE 47 2HG1 ILE 47 -4.436 0.892 -6.277 336 HG21 ILE 47 1HG2 ILE 47 -0.732 2.655 -7.391 337 HG22 ILE 47 2HG2 ILE 47 -0.782 1.179 -6.428 338 HG23 ILE 47 3HG2 ILE 47 -1.180 1.125 -8.145 339 HD11 ILE 47 3HD1 ILE 47 -2.911 -1.098 -7.692 340 HD12 ILE 47 1HD1 ILE 47 -4.575 -0.567 -7.933 341 HD13 ILE 47 2HD1 ILE 47 -3.251 0.299 -8.713 342 H THR 48 H THR 48 -3.518 5.097 -6.821 343 HA THR 48 HA THR 48 -0.865 6.171 -7.188 344 HB THR 48 HB THR 48 -3.530 7.498 -7.721 345 HG1 THR 48 1HG THR 48 -2.766 6.848 -9.975 346 HG21 THR 48 3HG2 THR 48 -1.365 8.293 -9.435 347 HG22 THR 48 1HG2 THR 48 -0.915 8.530 -7.747 348 HG23 THR 48 2HG2 THR 48 -2.375 9.286 -8.385 349 H GLN 49 H GLN 49 -3.743 7.023 -5.287 350 HA GLN 49 HA GLN 49 -2.818 9.354 -4.109 351 HB2 GLN 49 1HB GLN 49 -5.136 8.234 -3.961 352 HB3 GLN 49 2HB GLN 49 -4.469 7.346 -2.597 353 HG2 GLN 49 1HG GLN 49 -5.541 9.147 -1.610 354 HG3 GLN 49 2HG GLN 49 -3.850 9.644 -1.653 355 HE21 GLN 49 1HE2 GLN 49 -3.616 11.685 -2.172 356 HE22 GLN 49 2HE2 GLN 49 -4.592 12.579 -3.281 357 H ILE 50 H ILE 50 -2.563 6.030 -2.855 358 HA ILE 50 HA ILE 50 -1.319 6.371 -0.487 359 HB ILE 50 HB ILE 50 -0.543 4.354 -2.596 360 HG12 ILE 50 1HG1 ILE 50 -2.269 3.871 -0.182 361 HG13 ILE 50 2HG1 ILE 50 -2.960 4.507 -1.670 362 HG21 ILE 50 1HG2 ILE 50 1.143 3.827 -1.238 363 HG22 ILE 50 2HG2 ILE 50 0.543 4.884 0.039 364 HG23 ILE 50 3HG2 ILE 50 -0.077 3.240 -0.108 365 HD11 ILE 50 3HD1 ILE 50 -2.645 1.859 -1.028 366 HD12 ILE 50 1HD1 ILE 50 -2.947 2.510 -2.639 367 HD13 ILE 50 2HD1 ILE 50 -1.296 2.173 -2.119 368 H GLY 51 H GLY 51 0.220 6.644 -3.662 369 HA2 GLY 51 1HA GLY 51 2.670 7.598 -2.321 370 HA3 GLY 51 2HA GLY 51 2.620 6.894 -3.931 371 H GLU 52 H GLU 52 0.939 9.551 -2.241 372 HA GLU 52 HA GLU 52 0.241 11.187 -4.227 373 HB2 GLU 52 1HB GLU 52 0.378 11.565 -1.611 374 HB3 GLU 52 2HB GLU 52 1.811 12.487 -2.045 375 HG2 GLU 52 1HG GLU 52 0.191 13.609 -3.768 376 HG3 GLU 52 2HG GLU 52 -1.049 13.025 -2.660 377 H THR 53 H THR 53 3.545 11.124 -2.897 378 HA THR 53 HA THR 53 4.472 12.414 -5.380 379 HB THR 53 HB THR 53 5.742 12.486 -2.637 380 HG1 THR 53 1HG THR 53 4.154 13.973 -2.593 381 HG21 THR 53 3HG2 THR 53 6.935 14.414 -4.218 382 HG22 THR 53 1HG2 THR 53 6.799 13.025 -5.295 383 HG23 THR 53 2HG2 THR 53 7.644 12.868 -3.755 384 H SER 54 H SER 54 5.749 10.306 -2.796 385 HA SER 54 HA SER 54 7.909 9.222 -4.001 386 HB2 SER 54 1HB SER 54 5.890 8.084 -2.119 387 HB3 SER 54 2HB SER 54 7.085 6.992 -2.818 388 HG SER 54 HG SER 54 8.537 8.932 -2.089 389 H CYS 55 H CYS 55 8.260 8.301 -5.899 390 HA CYS 55 HA CYS 55 6.224 6.498 -7.006 391 HB2 CYS 55 1HB CYS 55 7.540 8.833 -8.367 392 HB3 CYS 55 2HB CYS 55 6.949 7.464 -9.300 393 HG CYS 55 HG CYS 55 4.441 8.095 -7.491 394 H GLY 56 H GLY 56 7.201 4.573 -6.938 395 HA2 GLY 56 1HA GLY 56 9.201 3.777 -8.636 396 HA3 GLY 56 2HA GLY 56 10.040 4.265 -7.171 397 H PHE 57 H PHE 57 8.765 3.353 -5.119 398 HA PHE 57 HA PHE 57 7.912 0.602 -5.598 399 HB2 PHE 57 1HB PHE 57 9.535 -0.412 -4.256 400 HB3 PHE 57 2HB PHE 57 10.460 0.775 -5.170 401 HD1 PHE 57 1HD PHE 57 10.846 3.060 -4.034 402 HD2 PHE 57 2HD PHE 57 9.674 -0.461 -1.950 403 HE1 PHE 57 1HE PHE 57 11.679 4.031 -1.932 404 HE2 PHE 57 2HE PHE 57 10.503 0.505 0.155 405 HZ PHE 57 HZ PHE 57 11.507 2.754 0.166 406 H PHE 58 H PHE 58 6.123 0.246 -4.478 407 HA PHE 58 HA PHE 58 5.832 1.457 -1.823 408 HB2 PHE 58 1HB PHE 58 3.597 2.197 -2.261 409 HB3 PHE 58 2HB PHE 58 4.617 2.825 -3.551 410 HD1 PHE 58 1HD PHE 58 4.733 1.368 -5.708 411 HD2 PHE 58 2HD PHE 58 1.641 1.106 -2.794 412 HE1 PHE 58 1HE PHE 58 3.247 0.345 -7.381 413 HE2 PHE 58 2HE PHE 58 0.151 0.081 -4.462 414 HZ PHE 58 HZ PHE 58 0.953 -0.301 -6.759 415 H LYS 59 H LYS 59 5.239 0.019 -0.341 416 HA LYS 59 HA LYS 59 4.672 -2.686 -1.077 417 HB2 LYS 59 1HB LYS 59 4.771 -3.182 1.228 418 HB3 LYS 59 2HB LYS 59 5.953 -1.904 0.979 419 HG2 LYS 59 1HG LYS 59 3.197 -1.135 1.777 420 HG3 LYS 59 2HG LYS 59 4.260 -1.847 2.992 421 HD2 LYS 59 1HD LYS 59 5.978 -0.126 2.335 422 HD3 LYS 59 2HD LYS 59 4.721 0.650 1.369 423 HE2 LYS 59 1HE LYS 59 3.564 1.367 3.203 424 HE3 LYS 59 2HE LYS 59 4.108 0.024 4.207 425 HZ1 LYS 59 3HZ LYS 59 5.205 2.632 3.956 426 HZ2 LYS 59 1HZ LYS 59 6.376 1.461 3.607 427 HZ3 LYS 59 2HZ LYS 59 5.561 1.426 5.089 428 H CYS 60 H CYS 60 2.783 -3.883 -0.635 429 HA CYS 60 HA CYS 60 0.358 -2.474 -1.146 430 HB2 CYS 60 1HB CYS 60 0.593 -4.675 -2.060 431 HB3 CYS 60 2HB CYS 60 0.935 -5.361 -0.474 432 HA PRO 61 HA PRO 61 -0.846 -1.547 2.995 433 HB2 PRO 61 1HB PRO 61 -3.488 -1.119 2.542 434 HB3 PRO 61 2HB PRO 61 -2.233 0.032 2.068 435 HG2 PRO 61 1HG PRO 61 -3.658 -2.007 0.403 436 HG3 PRO 61 2HG PRO 61 -3.252 -0.326 0.009 437 HD2 PRO 61 1HD PRO 61 -1.800 -2.426 -0.893 438 HD3 PRO 61 2HD PRO 61 -1.073 -0.848 -0.531 439 H LEU 62 H LEU 62 -2.798 -3.852 1.127 440 HA LEU 62 HA LEU 62 -4.098 -5.012 3.357 441 HB2 LEU 62 1HB LEU 62 -3.614 -5.925 0.539 442 HB3 LEU 62 2HB LEU 62 -4.443 -6.946 1.712 443 HG LEU 62 HG LEU 62 -5.371 -4.214 0.827 444 HD11 LEU 62 1HD1 LEU 62 -5.876 -6.947 -0.187 445 HD12 LEU 62 2HD1 LEU 62 -5.878 -5.401 -1.034 446 HD13 LEU 62 3HD1 LEU 62 -7.266 -5.869 -0.052 447 HD21 LEU 62 3HD2 LEU 62 -6.593 -4.300 2.686 448 HD22 LEU 62 1HD2 LEU 62 -6.118 -5.967 3.011 449 HD23 LEU 62 2HD2 LEU 62 -7.477 -5.631 1.938 450 H CYS 63 H CYS 63 -1.147 -5.825 1.592 451 HA CYS 63 HA CYS 63 -0.356 -7.535 3.839 452 HB2 CYS 63 1HB CYS 63 0.484 -9.259 2.349 453 HB3 CYS 63 2HB CYS 63 -1.229 -8.996 2.038 454 H LYS 64 H LYS 64 1.361 -6.526 4.648 455 HA LYS 64 HA LYS 64 2.997 -4.697 3.349 456 HB2 LYS 64 1HB LYS 64 3.673 -6.487 5.691 457 HB3 LYS 64 2HB LYS 64 4.595 -5.070 5.205 458 HG2 LYS 64 1HG LYS 64 1.699 -4.981 6.014 459 HG3 LYS 64 2HG LYS 64 3.044 -4.709 7.124 460 HD2 LYS 64 1HD LYS 64 2.809 -3.135 4.584 461 HD3 LYS 64 2HD LYS 64 1.897 -2.669 6.022 462 HE2 LYS 64 1HE LYS 64 4.805 -3.211 6.318 463 HE3 LYS 64 2HE LYS 64 4.317 -1.714 5.525 464 HZ1 LYS 64 3HZ LYS 64 3.989 -0.854 7.523 465 HZ2 LYS 64 1HZ LYS 64 4.327 -2.331 8.277 466 HZ3 LYS 64 2HZ LYS 64 2.746 -1.968 7.796 467 H THR 65 H THR 65 3.632 -5.463 1.329 468 HA THR 65 HA THR 65 5.537 -7.710 1.347 469 HB THR 65 HB THR 65 4.016 -6.591 -1.016 470 HG1 THR 65 1HG THR 65 2.606 -8.218 -0.712 471 HG21 THR 65 3HG2 THR 65 6.281 -7.704 -1.399 472 HG22 THR 65 1HG2 THR 65 4.910 -8.360 -2.292 473 HG23 THR 65 2HG2 THR 65 5.512 -9.197 -0.861 474 H SER 66 H SER 66 7.535 -7.491 0.367 475 HA SER 66 HA SER 66 8.816 -5.032 0.533 476 HB2 SER 66 1HB SER 66 9.844 -7.383 0.432 477 HB3 SER 66 2HB SER 66 9.733 -7.227 -1.321 478 HG SER 66 HG SER 66 11.501 -6.118 -1.213 479 H VAL 67 H VAL 67 8.009 -6.780 -2.474 480 HA VAL 67 HA VAL 67 7.943 -5.999 -4.644 481 HB VAL 67 HB VAL 67 6.173 -3.816 -3.618 482 HG11 VAL 67 1HG1 VAL 67 4.849 -4.361 -5.550 483 HG12 VAL 67 2HG1 VAL 67 6.533 -4.188 -6.048 484 HG13 VAL 67 3HG1 VAL 67 5.827 -5.794 -5.867 485 HG21 VAL 67 3HG2 VAL 67 5.597 -5.620 -2.156 486 HG22 VAL 67 1HG2 VAL 67 4.348 -5.507 -3.396 487 HG23 VAL 67 2HG2 VAL 67 5.576 -6.768 -3.494 488 H ARG 68 H ARG 68 10.265 -5.075 -3.668 489 HA ARG 68 HA ARG 68 10.405 -2.194 -3.993 490 HB2 ARG 68 1HB ARG 68 12.290 -4.338 -3.131 491 HB3 ARG 68 2HB ARG 68 12.968 -2.845 -3.765 492 HG2 ARG 68 1HG ARG 68 11.313 -1.743 -2.049 493 HG3 ARG 68 2HG ARG 68 11.429 -3.321 -1.268 494 HD2 ARG 68 1HD ARG 68 13.776 -1.581 -2.018 495 HD3 ARG 68 2HD ARG 68 13.072 -1.687 -0.405 496 HE ARG 68 HE ARG 68 13.753 -4.267 -1.277 497 HH11 ARG 68 2HH1 ARG 68 15.258 -1.286 -0.293 498 HH12 ARG 68 1HH1 ARG 68 16.688 -2.056 0.311 499 HH21 ARG 68 2HH2 ARG 68 15.631 -5.292 -0.486 500 HH22 ARG 68 1HH2 ARG 68 16.900 -4.334 0.200 501 H LYS 69 H LYS 69 9.747 -2.048 -6.194 502 HA LYS 69 HA LYS 69 10.657 -3.334 -8.398 503 HB2 LYS 69 1HB LYS 69 9.973 -0.452 -7.937 504 HB3 LYS 69 2HB LYS 69 10.550 -0.973 -9.515 505 HG2 LYS 69 1HG LYS 69 8.709 -2.666 -9.534 506 HG3 LYS 69 2HG LYS 69 8.083 -1.905 -8.070 507 HD2 LYS 69 1HD LYS 69 8.055 0.267 -9.369 508 HD3 LYS 69 2HD LYS 69 8.366 -0.699 -10.814 509 HE2 LYS 69 1HE LYS 69 6.089 -1.365 -8.985 510 HE3 LYS 69 2HE LYS 69 5.925 -0.098 -10.200 511 HZ1 LYS 69 3HZ LYS 69 6.308 -1.638 -11.926 512 HZ2 LYS 69 1HZ LYS 69 5.186 -2.372 -10.895 513 HZ3 LYS 69 2HZ LYS 69 6.808 -2.849 -10.855 514 H ASN 70 H ASN 70 12.274 -0.539 -6.892 515 HA ASN 70 HA ASN 70 14.470 -0.429 -8.611 516 HB2 ASN 70 1HB ASN 70 13.961 1.380 -7.064 517 HB3 ASN 70 2HB ASN 70 14.285 0.329 -5.687 518 HD21 ASN 70 1HD2 ASN 70 15.504 2.857 -7.033 519 HD22 ASN 70 2HD2 ASN 70 17.200 2.539 -6.956 520 H ALA 71 H ALA 71 15.274 -2.474 -9.055 521 HA ALA 71 HA ALA 71 16.222 -4.154 -6.887 522 HB1 ALA 71 3HB ALA 71 16.215 -5.849 -8.370 523 HB2 ALA 71 1HB ALA 71 15.199 -4.757 -9.311 524 HB3 ALA 71 2HB ALA 71 16.926 -4.871 -9.654 525 H ILE 72 H ILE 72 17.753 -2.902 -9.861 526 HA ILE 72 HA ILE 72 20.379 -3.389 -9.192 527 HB ILE 72 HB ILE 72 19.499 -2.520 -11.400 528 HG12 ILE 72 1HG1 ILE 72 21.603 -1.327 -11.935 529 HG13 ILE 72 2HG1 ILE 72 21.948 -1.194 -10.214 530 HG21 ILE 72 1HG2 ILE 72 18.511 -0.534 -11.444 531 HG22 ILE 72 2HG2 ILE 72 18.946 -0.243 -9.761 532 HG23 ILE 72 3HG2 ILE 72 20.058 0.215 -11.051 533 HD11 ILE 72 3HD1 ILE 72 22.955 -3.114 -11.743 534 HD12 ILE 72 1HD1 ILE 72 22.579 -3.356 -10.037 535 HD13 ILE 72 2HD1 ILE 72 21.450 -3.905 -11.276 536 H ARG 73 H ARG 73 22.075 -2.052 -8.385 537 HA ARG 73 HA ARG 73 23.002 -0.811 -6.711 538 HB2 ARG 73 1HB ARG 73 21.017 1.045 -7.981 539 HB3 ARG 73 2HB ARG 73 21.955 1.575 -6.591 540 HG2 ARG 73 1HG ARG 73 23.340 0.382 -8.950 541 HG3 ARG 73 2HG ARG 73 22.805 2.063 -8.991 542 HD2 ARG 73 1HD ARG 73 24.011 2.167 -6.661 543 HD3 ARG 73 2HD ARG 73 24.879 0.766 -7.288 544 HE ARG 73 HE ARG 73 24.866 2.884 -9.176 545 HH11 ARG 73 2HH1 ARG 73 26.348 1.843 -6.203 546 HH12 ARG 73 1HH1 ARG 73 27.815 2.725 -6.473 547 HH21 ARG 73 2HH2 ARG 73 26.792 4.050 -9.543 548 HH22 ARG 73 1HH2 ARG 73 28.066 3.981 -8.372 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -13.737 4.928 -20.904 2 HA2 GLY 1 1HA GLY 1 -11.866 3.746 -19.441 3 HA3 GLY 1 2HA GLY 1 -13.478 3.051 -19.537 4 H SER 2 H SER 2 -11.281 1.475 -19.001 5 HA SER 2 HA SER 2 -10.089 -0.347 -19.694 6 HB2 SER 2 1HB SER 2 -12.661 -0.881 -20.031 7 HB3 SER 2 2HB SER 2 -12.198 -0.928 -21.731 8 HG SER 2 HG SER 2 -10.445 -2.389 -20.908 9 H SER 3 H SER 3 -9.250 1.988 -20.961 10 HA SER 3 HA SER 3 -7.965 0.880 -23.280 11 HB2 SER 3 1HB SER 3 -10.313 1.888 -23.955 12 HB3 SER 3 2HB SER 3 -9.440 3.418 -23.859 13 HG SER 3 HG SER 3 -8.089 2.754 -25.459 14 H GLY 4 H GLY 4 -6.336 2.364 -24.187 15 HA2 GLY 4 1HA GLY 4 -4.543 3.363 -22.478 16 HA3 GLY 4 2HA GLY 4 -4.810 4.115 -24.044 17 H SER 5 H SER 5 -7.028 5.480 -23.920 18 HA SER 5 HA SER 5 -6.415 7.612 -22.103 19 HB2 SER 5 1HB SER 5 -8.804 7.324 -23.940 20 HB3 SER 5 2HB SER 5 -8.222 8.813 -23.197 21 HG SER 5 HG SER 5 -6.282 7.514 -24.603 22 H SER 6 H SER 6 -7.546 8.308 -20.334 23 HA SER 6 HA SER 6 -9.058 6.347 -18.915 24 HB2 SER 6 1HB SER 6 -7.570 7.939 -17.762 25 HB3 SER 6 2HB SER 6 -8.608 9.272 -18.270 26 HG SER 6 HG SER 6 -9.052 8.529 -16.127 27 H GLY 7 H GLY 7 -11.228 6.480 -18.210 28 HA2 GLY 7 1HA GLY 7 -12.923 8.288 -19.819 29 HA3 GLY 7 2HA GLY 7 -13.323 6.591 -19.606 30 H MET 8 H MET 8 -15.374 7.564 -18.828 31 HA MET 8 HA MET 8 -15.207 7.974 -15.930 32 HB2 MET 8 1HB MET 8 -16.799 9.680 -17.850 33 HB3 MET 8 2HB MET 8 -17.004 9.707 -16.104 34 HG2 MET 8 1HG MET 8 -14.904 10.657 -15.752 35 HG3 MET 8 2HG MET 8 -14.341 10.229 -17.366 36 HE1 MET 8 3HE MET 8 -14.647 11.570 -19.440 37 HE2 MET 8 1HE MET 8 -14.789 13.322 -19.285 38 HE3 MET 8 2HE MET 8 -13.542 12.456 -18.389 39 H ALA 9 H ALA 9 -17.506 7.861 -14.962 40 HA ALA 9 HA ALA 9 -18.974 5.695 -16.320 41 HB1 ALA 9 3HB ALA 9 -18.394 6.122 -13.405 42 HB2 ALA 9 1HB ALA 9 -19.681 5.052 -13.962 43 HB3 ALA 9 2HB ALA 9 -18.007 4.727 -14.412 44 H SER 10 H SER 10 -21.294 5.518 -15.409 45 HA SER 10 HA SER 10 -22.469 8.111 -14.781 46 HB2 SER 10 1HB SER 10 -22.345 7.563 -17.373 47 HB3 SER 10 2HB SER 10 -23.763 6.584 -16.999 48 HG SER 10 HG SER 10 -23.676 9.203 -16.030 49 H GLY 11 H GLY 11 -24.888 7.874 -14.405 50 HA2 GLY 11 1HA GLY 11 -25.289 5.451 -12.810 51 HA3 GLY 11 2HA GLY 11 -26.218 6.937 -12.686 52 H GLN 12 H GLN 12 -27.712 4.793 -12.672 53 HA GLN 12 HA GLN 12 -29.356 5.050 -14.946 54 HB2 GLN 12 1HB GLN 12 -27.304 3.531 -15.652 55 HB3 GLN 12 2HB GLN 12 -28.242 2.285 -14.841 56 HG2 GLN 12 1HG GLN 12 -28.867 2.129 -17.078 57 HG3 GLN 12 2HG GLN 12 -30.183 3.019 -16.314 58 HE21 GLN 12 1HE2 GLN 12 -28.138 2.931 -18.903 59 HE22 GLN 12 2HE2 GLN 12 -28.264 4.575 -19.418 60 H PHE 13 H PHE 13 -31.279 3.718 -14.825 61 HA PHE 13 HA PHE 13 -32.386 3.528 -12.317 62 HB2 PHE 13 1HB PHE 13 -33.070 1.981 -14.821 63 HB3 PHE 13 2HB PHE 13 -34.072 1.986 -13.373 64 HD1 PHE 13 2HD PHE 13 -32.706 4.108 -16.069 65 HD2 PHE 13 1HD PHE 13 -35.541 3.768 -12.912 66 HE1 PHE 13 2HE PHE 13 -33.828 6.149 -16.861 67 HE2 PHE 13 1HE PHE 13 -36.668 5.808 -13.700 68 HZ PHE 13 HZ PHE 13 -35.812 7.002 -15.676 69 H VAL 14 H VAL 14 -33.304 1.409 -11.367 70 HA VAL 14 HA VAL 14 -31.110 -0.145 -10.464 71 HB VAL 14 HB VAL 14 -34.070 -0.671 -10.156 72 HG11 VAL 14 1HG1 VAL 14 -32.716 -1.731 -7.981 73 HG12 VAL 14 2HG1 VAL 14 -33.430 -2.635 -9.318 74 HG13 VAL 14 3HG1 VAL 14 -31.726 -2.181 -9.369 75 HG21 VAL 14 3HG2 VAL 14 -33.757 1.360 -9.100 76 HG22 VAL 14 1HG2 VAL 14 -33.462 0.221 -7.786 77 HG23 VAL 14 2HG2 VAL 14 -32.104 0.976 -8.620 78 H ASN 15 H ASN 15 -30.205 -1.021 -12.385 79 HA ASN 15 HA ASN 15 -31.055 -3.641 -12.981 80 HB2 ASN 15 1HB ASN 15 -31.663 -3.342 -15.358 81 HB3 ASN 15 2HB ASN 15 -32.803 -2.543 -14.279 82 HD21 ASN 15 1HD2 ASN 15 -32.658 -1.868 -16.923 83 HD22 ASN 15 2HD2 ASN 15 -32.005 -0.277 -17.083 84 H LYS 16 H LYS 16 -29.804 -4.510 -14.965 85 HA LYS 16 HA LYS 16 -27.782 -4.973 -15.898 86 HB2 LYS 16 1HB LYS 16 -27.727 -1.967 -15.843 87 HB3 LYS 16 2HB LYS 16 -26.360 -2.887 -16.456 88 HG2 LYS 16 1HG LYS 16 -27.754 -3.898 -18.152 89 HG3 LYS 16 2HG LYS 16 -29.178 -3.080 -17.503 90 HD2 LYS 16 1HD LYS 16 -28.618 -1.671 -19.230 91 HD3 LYS 16 2HD LYS 16 -27.734 -0.925 -17.897 92 HE2 LYS 16 1HE LYS 16 -26.129 -1.002 -19.556 93 HE3 LYS 16 2HE LYS 16 -25.799 -2.483 -18.658 94 HZ1 LYS 16 3HZ LYS 16 -27.707 -3.022 -20.649 95 HZ2 LYS 16 1HZ LYS 16 -26.143 -3.647 -20.491 96 HZ3 LYS 16 2HZ LYS 16 -26.400 -2.222 -21.364 97 H LEU 17 H LEU 17 -27.987 -5.153 -13.075 98 HA LEU 17 HA LEU 17 -26.047 -3.973 -11.545 99 HB2 LEU 17 1HB LEU 17 -26.036 -6.030 -10.193 100 HB3 LEU 17 2HB LEU 17 -27.661 -5.478 -10.596 101 HG LEU 17 HG LEU 17 -27.340 -7.244 -12.566 102 HD11 LEU 17 1HD1 LEU 17 -25.981 -9.041 -12.091 103 HD12 LEU 17 2HD1 LEU 17 -25.894 -8.660 -10.372 104 HD13 LEU 17 3HD1 LEU 17 -24.992 -7.690 -11.536 105 HD21 LEU 17 3HD2 LEU 17 -29.163 -7.864 -11.445 106 HD22 LEU 17 1HD2 LEU 17 -28.518 -7.266 -9.916 107 HD23 LEU 17 2HD2 LEU 17 -28.103 -8.887 -10.474 108 H GLN 18 H GLN 18 -23.893 -4.370 -11.058 109 HA GLN 18 HA GLN 18 -22.461 -6.218 -12.840 110 HB2 GLN 18 1HB GLN 18 -21.774 -3.340 -12.250 111 HB3 GLN 18 2HB GLN 18 -20.617 -4.479 -12.925 112 HG2 GLN 18 1HG GLN 18 -21.821 -4.693 -14.922 113 HG3 GLN 18 2HG GLN 18 -23.264 -3.957 -14.228 114 HE21 GLN 18 1HE2 GLN 18 -23.196 -2.581 -16.111 115 HE22 GLN 18 2HE2 GLN 18 -22.173 -1.189 -16.112 116 H GLU 19 H GLU 19 -21.633 -7.721 -11.545 117 HA GLU 19 HA GLU 19 -20.943 -7.154 -8.806 118 HB2 GLU 19 1HB GLU 19 -20.545 -9.669 -10.436 119 HB3 GLU 19 2HB GLU 19 -20.343 -9.535 -8.695 120 HG2 GLU 19 1HG GLU 19 -22.890 -9.265 -10.266 121 HG3 GLU 19 2HG GLU 19 -22.458 -10.535 -9.123 122 H GLU 20 H GLU 20 -19.424 -5.526 -10.366 123 HA GLU 20 HA GLU 20 -16.877 -6.632 -11.008 124 HB2 GLU 20 1HB GLU 20 -17.833 -3.793 -10.646 125 HB3 GLU 20 2HB GLU 20 -16.185 -4.196 -11.105 126 HG2 GLU 20 1HG GLU 20 -18.531 -5.188 -12.679 127 HG3 GLU 20 2HG GLU 20 -17.839 -3.590 -12.954 128 H VAL 21 H VAL 21 -14.961 -6.571 -9.884 129 HA VAL 21 HA VAL 21 -14.994 -6.891 -7.135 130 HB VAL 21 HB VAL 21 -13.141 -7.635 -8.586 131 HG11 VAL 21 1HG1 VAL 21 -13.001 -4.800 -9.161 132 HG12 VAL 21 2HG1 VAL 21 -11.433 -5.453 -8.680 133 HG13 VAL 21 3HG1 VAL 21 -12.308 -6.165 -10.037 134 HG21 VAL 21 3HG2 VAL 21 -12.153 -5.808 -6.402 135 HG22 VAL 21 1HG2 VAL 21 -12.900 -7.379 -6.112 136 HG23 VAL 21 2HG2 VAL 21 -11.383 -7.276 -7.004 137 H ILE 22 H ILE 22 -14.448 -5.594 -5.386 138 HA ILE 22 HA ILE 22 -14.577 -2.697 -5.906 139 HB ILE 22 HB ILE 22 -15.317 -4.080 -3.329 140 HG12 ILE 22 1HG1 ILE 22 -17.169 -3.078 -5.502 141 HG13 ILE 22 2HG1 ILE 22 -16.788 -4.773 -5.218 142 HG21 ILE 22 1HG2 ILE 22 -16.149 -1.349 -4.253 143 HG22 ILE 22 2HG2 ILE 22 -16.169 -2.018 -2.622 144 HG23 ILE 22 3HG2 ILE 22 -14.634 -1.617 -3.391 145 HD11 ILE 22 3HD1 ILE 22 -17.892 -3.122 -2.997 146 HD12 ILE 22 1HD1 ILE 22 -18.965 -3.738 -4.254 147 HD13 ILE 22 2HD1 ILE 22 -18.014 -4.859 -3.279 148 H CYS 23 H CYS 23 -13.221 -1.304 -4.758 149 HA CYS 23 HA CYS 23 -10.659 -2.402 -4.091 150 HB2 CYS 23 1HB CYS 23 -10.961 -0.205 -5.232 151 HB3 CYS 23 2HB CYS 23 -11.651 0.434 -3.743 152 HA PRO 24 HA PRO 24 -11.676 -3.094 0.193 153 HB2 PRO 24 1HB PRO 24 -9.220 -4.003 0.910 154 HB3 PRO 24 2HB PRO 24 -10.392 -4.993 0.031 155 HG2 PRO 24 1HG PRO 24 -8.037 -3.469 -1.015 156 HG3 PRO 24 2HG PRO 24 -8.590 -5.101 -1.435 157 HD2 PRO 24 1HD PRO 24 -9.100 -2.944 -2.991 158 HD3 PRO 24 2HD PRO 24 -10.219 -4.317 -2.865 159 H ILE 25 H ILE 25 -9.965 -0.640 -1.131 160 HA ILE 25 HA ILE 25 -8.906 0.344 1.426 161 HB ILE 25 HB ILE 25 -8.416 1.360 -1.376 162 HG12 ILE 25 1HG1 ILE 25 -6.539 -0.068 0.517 163 HG13 ILE 25 2HG1 ILE 25 -7.385 -0.849 -0.814 164 HG21 ILE 25 1HG2 ILE 25 -6.544 2.614 -0.130 165 HG22 ILE 25 2HG2 ILE 25 -8.189 3.239 -0.025 166 HG23 ILE 25 3HG2 ILE 25 -7.510 2.314 1.314 167 HD11 ILE 25 3HD1 ILE 25 -5.288 1.295 -0.985 168 HD12 ILE 25 1HD1 ILE 25 -5.169 -0.380 -1.524 169 HD13 ILE 25 2HD1 ILE 25 -6.244 0.742 -2.360 170 H CYS 26 H CYS 26 -10.671 1.591 -1.415 171 HA CYS 26 HA CYS 26 -11.903 3.613 0.323 172 HB2 CYS 26 1HB CYS 26 -12.526 4.739 -1.813 173 HB3 CYS 26 2HB CYS 26 -10.788 4.562 -1.596 174 H LEU 27 H LEU 27 -12.551 0.748 -1.439 175 HA LEU 27 HA LEU 27 -14.423 -0.540 -1.600 176 HB2 LEU 27 1HB LEU 27 -15.920 1.514 -0.005 177 HB3 LEU 27 2HB LEU 27 -16.232 -0.216 -0.135 178 HG LEU 27 HG LEU 27 -13.797 0.928 1.220 179 HD11 LEU 27 1HD1 LEU 27 -15.786 1.723 2.373 180 HD12 LEU 27 2HD1 LEU 27 -14.951 0.502 3.333 181 HD13 LEU 27 3HD1 LEU 27 -16.416 0.077 2.448 182 HD21 LEU 27 3HD2 LEU 27 -15.048 -1.798 1.045 183 HD22 LEU 27 1HD2 LEU 27 -13.912 -1.364 2.323 184 HD23 LEU 27 2HD2 LEU 27 -13.402 -1.312 0.635 185 H ASP 28 H ASP 28 -13.841 1.124 -3.680 186 HA ASP 28 HA ASP 28 -16.517 1.947 -4.598 187 HB2 ASP 28 1HB ASP 28 -13.929 3.244 -5.460 188 HB3 ASP 28 2HB ASP 28 -15.568 3.779 -5.820 189 H ILE 29 H ILE 29 -17.174 1.172 -6.524 190 HA ILE 29 HA ILE 29 -16.358 -1.080 -7.680 191 HB ILE 29 HB ILE 29 -17.279 1.342 -9.232 192 HG12 ILE 29 1HG1 ILE 29 -18.896 -1.008 -8.234 193 HG13 ILE 29 2HG1 ILE 29 -18.750 0.508 -7.351 194 HG21 ILE 29 1HG2 ILE 29 -17.159 0.144 -11.096 195 HG22 ILE 29 2HG2 ILE 29 -16.320 -1.114 -10.191 196 HG23 ILE 29 3HG2 ILE 29 -18.074 -1.170 -10.359 197 HD11 ILE 29 3HD1 ILE 29 -20.813 0.441 -8.606 198 HD12 ILE 29 1HD1 ILE 29 -19.749 1.692 -9.246 199 HD13 ILE 29 2HD1 ILE 29 -19.921 0.158 -10.100 200 H LEU 30 H LEU 30 -14.286 -1.658 -7.979 201 HA LEU 30 HA LEU 30 -12.190 0.017 -8.768 202 HB2 LEU 30 1HB LEU 30 -12.622 -2.913 -8.625 203 HB3 LEU 30 2HB LEU 30 -11.256 -2.340 -9.580 204 HG LEU 30 HG LEU 30 -11.635 -1.474 -6.731 205 HD11 LEU 30 1HD1 LEU 30 -9.826 -3.739 -7.368 206 HD12 LEU 30 2HD1 LEU 30 -11.551 -4.074 -7.217 207 HD13 LEU 30 3HD1 LEU 30 -10.673 -3.348 -5.871 208 HD21 LEU 30 3HD2 LEU 30 -9.160 -1.803 -8.421 209 HD22 LEU 30 1HD2 LEU 30 -9.275 -1.058 -6.826 210 HD23 LEU 30 2HD2 LEU 30 -10.035 -0.284 -8.217 211 H GLN 31 H GLN 31 -12.683 1.243 -10.562 212 HA GLN 31 HA GLN 31 -13.731 0.173 -12.970 213 HB2 GLN 31 1HB GLN 31 -13.938 2.549 -12.356 214 HB3 GLN 31 2HB GLN 31 -12.198 2.740 -12.523 215 HG2 GLN 31 1HG GLN 31 -13.004 3.567 -14.519 216 HG3 GLN 31 2HG GLN 31 -12.557 1.913 -14.932 217 HE21 GLN 31 1HE2 GLN 31 -14.275 0.320 -14.984 218 HE22 GLN 31 2HE2 GLN 31 -15.869 0.810 -15.434 219 H LYS 32 H LYS 32 -10.474 0.782 -11.793 220 HA LYS 32 HA LYS 32 -9.436 -0.753 -14.072 221 HB2 LYS 32 1HB LYS 32 -8.161 1.751 -12.954 222 HB3 LYS 32 2HB LYS 32 -7.509 0.747 -14.243 223 HG2 LYS 32 1HG LYS 32 -9.045 1.486 -15.784 224 HG3 LYS 32 2HG LYS 32 -10.225 1.935 -14.551 225 HD2 LYS 32 1HD LYS 32 -8.847 3.829 -13.894 226 HD3 LYS 32 2HD LYS 32 -7.614 3.360 -15.067 227 HE2 LYS 32 1HE LYS 32 -8.962 5.164 -15.957 228 HE3 LYS 32 2HE LYS 32 -9.247 3.689 -16.879 229 HZ1 LYS 32 3HZ LYS 32 -11.071 3.880 -14.721 230 HZ2 LYS 32 1HZ LYS 32 -11.389 3.774 -16.379 231 HZ3 LYS 32 2HZ LYS 32 -11.139 5.285 -15.662 232 HA PRO 33 HA PRO 33 -7.949 -2.660 -10.184 233 HB2 PRO 33 1HB PRO 33 -7.906 -5.179 -11.198 234 HB3 PRO 33 2HB PRO 33 -9.367 -4.432 -10.542 235 HG2 PRO 33 1HG PRO 33 -8.503 -4.719 -13.393 236 HG3 PRO 33 2HG PRO 33 -10.109 -4.963 -12.681 237 HD2 PRO 33 1HD PRO 33 -9.432 -2.700 -14.005 238 HD3 PRO 33 2HD PRO 33 -10.576 -2.706 -12.648 239 H VAL 34 H VAL 34 -5.870 -3.059 -9.651 240 HA VAL 34 HA VAL 34 -3.957 -3.607 -11.822 241 HB VAL 34 HB VAL 34 -3.537 -1.703 -9.514 242 HG11 VAL 34 1HG1 VAL 34 -1.495 -1.499 -11.457 243 HG12 VAL 34 2HG1 VAL 34 -1.357 -2.020 -9.777 244 HG13 VAL 34 3HG1 VAL 34 -1.663 -3.206 -11.047 245 HG21 VAL 34 3HG2 VAL 34 -3.902 0.028 -10.922 246 HG22 VAL 34 1HG2 VAL 34 -3.228 -0.822 -12.312 247 HG23 VAL 34 2HG2 VAL 34 -4.876 -1.163 -11.785 248 H THR 35 H THR 35 -3.212 -5.592 -11.475 249 HA THR 35 HA THR 35 -3.026 -6.680 -8.795 250 HB THR 35 HB THR 35 -2.218 -7.966 -11.410 251 HG1 THR 35 1HG THR 35 -4.271 -8.439 -11.678 252 HG21 THR 35 3HG2 THR 35 -3.112 -9.538 -9.065 253 HG22 THR 35 1HG2 THR 35 -1.517 -8.796 -8.959 254 HG23 THR 35 2HG2 THR 35 -1.886 -9.909 -10.276 255 H ILE 36 H ILE 36 -1.329 -6.095 -7.601 256 HA ILE 36 HA ILE 36 1.233 -5.514 -8.837 257 HB ILE 36 HB ILE 36 1.941 -5.002 -6.475 258 HG12 ILE 36 1HG1 ILE 36 -1.011 -5.308 -5.892 259 HG13 ILE 36 2HG1 ILE 36 0.218 -6.473 -5.409 260 HG21 ILE 36 1HG2 ILE 36 -0.004 -3.590 -8.128 261 HG22 ILE 36 2HG2 ILE 36 -0.027 -3.095 -6.436 262 HG23 ILE 36 3HG2 ILE 36 1.471 -3.003 -7.362 263 HD11 ILE 36 3HD1 ILE 36 0.003 -3.611 -4.508 264 HD12 ILE 36 1HD1 ILE 36 -0.343 -5.053 -3.554 265 HD13 ILE 36 2HD1 ILE 36 1.308 -4.714 -4.075 266 H ASP 37 H ASP 37 3.169 -6.323 -7.335 267 HA ASP 37 HA ASP 37 3.655 -8.953 -7.895 268 HB2 ASP 37 1HB ASP 37 4.725 -7.650 -5.395 269 HB3 ASP 37 2HB ASP 37 5.511 -8.847 -6.420 270 H CYS 38 H CYS 38 2.227 -7.640 -4.929 271 HA CYS 38 HA CYS 38 2.050 -10.083 -3.536 272 HB2 CYS 38 1HB CYS 38 0.913 -8.907 -1.919 273 HB3 CYS 38 2HB CYS 38 1.695 -7.577 -2.767 274 H GLY 39 H GLY 39 0.044 -8.608 -5.977 275 HA2 GLY 39 1HA GLY 39 -1.328 -10.070 -7.342 276 HA3 GLY 39 2HA GLY 39 -1.687 -10.996 -5.892 277 H HIS 40 H HIS 40 -2.420 -9.102 -4.095 278 HA HIS 40 HA HIS 40 -5.054 -8.690 -4.417 279 HB2 HIS 40 1HB HIS 40 -3.123 -6.753 -3.124 280 HB3 HIS 40 2HB HIS 40 -4.869 -6.730 -2.894 281 HD2 HIS 40 2HD HIS 40 -4.876 -10.172 -2.580 282 HE1 HIS 40 1HE HIS 40 -2.832 -9.146 0.993 283 HE2 HIS 40 2HE HIS 40 -4.025 -10.969 -0.271 284 H ASN 41 H ASN 41 -6.445 -7.157 -5.271 285 HA ASN 41 HA ASN 41 -5.268 -5.470 -7.370 286 HB2 ASN 41 1HB ASN 41 -7.902 -6.863 -7.076 287 HB3 ASN 41 2HB ASN 41 -7.802 -5.423 -8.086 288 HD21 ASN 41 1HD2 ASN 41 -5.999 -8.428 -7.515 289 HD22 ASN 41 2HD2 ASN 41 -5.705 -8.766 -9.183 290 H PHE 42 H PHE 42 -5.330 -3.327 -7.191 291 HA PHE 42 HA PHE 42 -7.196 -2.141 -5.243 292 HB2 PHE 42 1HB PHE 42 -4.345 -1.337 -5.847 293 HB3 PHE 42 2HB PHE 42 -5.451 -0.387 -4.860 294 HD1 PHE 42 1HD PHE 42 -6.585 -1.760 -2.895 295 HD2 PHE 42 2HD PHE 42 -2.905 -2.765 -4.781 296 HE1 PHE 42 1HE PHE 42 -5.925 -3.053 -0.909 297 HE2 PHE 42 2HE PHE 42 -2.239 -4.061 -2.799 298 HZ PHE 42 HZ PHE 42 -3.749 -4.207 -0.860 299 H CYS 43 H CYS 43 -7.422 0.306 -5.656 300 HA CYS 43 HA CYS 43 -7.980 0.646 -8.517 301 HB2 CYS 43 1HB CYS 43 -9.757 1.999 -7.956 302 HB3 CYS 43 2HB CYS 43 -9.721 0.934 -6.555 303 H LEU 44 H LEU 44 -7.034 2.201 -9.709 304 HA LEU 44 HA LEU 44 -4.626 3.289 -9.207 305 HB2 LEU 44 1HB LEU 44 -5.601 3.487 -11.371 306 HB3 LEU 44 2HB LEU 44 -6.908 4.495 -10.753 307 HG LEU 44 HG LEU 44 -4.879 6.094 -10.141 308 HD11 LEU 44 1HD1 LEU 44 -3.523 4.091 -11.451 309 HD12 LEU 44 2HD1 LEU 44 -2.941 5.734 -11.181 310 HD13 LEU 44 3HD1 LEU 44 -3.735 5.319 -12.700 311 HD21 LEU 44 3HD2 LEU 44 -6.761 6.723 -11.522 312 HD22 LEU 44 1HD2 LEU 44 -6.111 5.801 -12.878 313 HD23 LEU 44 2HD2 LEU 44 -5.260 7.232 -12.296 314 H LYS 45 H LYS 45 -7.621 5.184 -8.780 315 HA LYS 45 HA LYS 45 -6.721 7.451 -7.660 316 HB2 LYS 45 1HB LYS 45 -9.045 5.869 -6.545 317 HB3 LYS 45 2HB LYS 45 -8.792 7.602 -6.379 318 HG2 LYS 45 1HG LYS 45 -9.187 6.188 -9.007 319 HG3 LYS 45 2HG LYS 45 -10.469 6.987 -8.095 320 HD2 LYS 45 1HD LYS 45 -8.002 8.530 -8.728 321 HD3 LYS 45 2HD LYS 45 -9.167 8.236 -10.022 322 HE2 LYS 45 1HE LYS 45 -10.035 10.174 -9.213 323 HE3 LYS 45 2HE LYS 45 -10.862 9.046 -8.139 324 HZ1 LYS 45 3HZ LYS 45 -10.022 10.435 -6.590 325 HZ2 LYS 45 1HZ LYS 45 -8.728 10.941 -7.556 326 HZ3 LYS 45 2HZ LYS 45 -8.652 9.455 -6.752 327 H CYS 46 H CYS 46 -6.849 4.320 -6.068 328 HA CYS 46 HA CYS 46 -5.984 5.400 -3.527 329 HB2 CYS 46 1HB CYS 46 -6.827 2.747 -4.556 330 HB3 CYS 46 2HB CYS 46 -5.708 2.745 -3.196 331 H ILE 47 H ILE 47 -4.629 2.827 -5.593 332 HA ILE 47 HA ILE 47 -2.151 2.572 -4.566 333 HB ILE 47 HB ILE 47 -2.787 2.697 -7.516 334 HG12 ILE 47 1HG1 ILE 47 -2.584 0.302 -5.682 335 HG13 ILE 47 2HG1 ILE 47 -4.103 1.057 -6.152 336 HG21 ILE 47 1HG2 ILE 47 -0.692 2.082 -7.999 337 HG22 ILE 47 2HG2 ILE 47 -0.295 2.673 -6.386 338 HG23 ILE 47 3HG2 ILE 47 -0.613 0.957 -6.642 339 HD11 ILE 47 3HD1 ILE 47 -2.478 -0.856 -7.565 340 HD12 ILE 47 1HD1 ILE 47 -4.140 -0.347 -7.862 341 HD13 ILE 47 2HD1 ILE 47 -2.800 0.572 -8.549 342 H THR 48 H THR 48 -3.050 5.025 -6.985 343 HA THR 48 HA THR 48 -0.528 6.280 -7.082 344 HB THR 48 HB THR 48 -3.232 7.500 -7.673 345 HG1 THR 48 1HG THR 48 -1.378 6.101 -9.328 346 HG21 THR 48 3HG2 THR 48 -0.575 8.587 -7.695 347 HG22 THR 48 1HG2 THR 48 -2.104 9.383 -8.064 348 HG23 THR 48 2HG2 THR 48 -1.216 8.545 -9.337 349 H GLN 49 H GLN 49 -3.461 7.020 -5.224 350 HA GLN 49 HA GLN 49 -2.665 9.375 -4.017 351 HB2 GLN 49 1HB GLN 49 -4.923 8.535 -3.788 352 HB3 GLN 49 2HB GLN 49 -4.350 7.136 -2.889 353 HG2 GLN 49 1HG GLN 49 -3.837 9.895 -1.869 354 HG3 GLN 49 2HG GLN 49 -5.404 9.126 -1.623 355 HE21 GLN 49 1HE2 GLN 49 -5.382 7.003 -0.572 356 HE22 GLN 49 2HE2 GLN 49 -4.196 6.698 0.648 357 H ILE 50 H ILE 50 -2.328 6.092 -2.661 358 HA ILE 50 HA ILE 50 -1.043 6.542 -0.340 359 HB ILE 50 HB ILE 50 -0.259 4.449 -2.372 360 HG12 ILE 50 1HG1 ILE 50 -2.013 4.101 0.055 361 HG13 ILE 50 2HG1 ILE 50 -2.673 4.575 -1.507 362 HG21 ILE 50 1HG2 ILE 50 0.198 3.473 0.194 363 HG22 ILE 50 2HG2 ILE 50 1.411 3.944 -0.995 364 HG23 ILE 50 3HG2 ILE 50 0.855 5.109 0.206 365 HD11 ILE 50 3HD1 ILE 50 -2.894 2.191 -1.154 366 HD12 ILE 50 1HD1 ILE 50 -1.796 2.521 -2.494 367 HD13 ILE 50 2HD1 ILE 50 -1.152 2.047 -0.922 368 H GLY 51 H GLY 51 0.604 6.380 -3.499 369 HA2 GLY 51 1HA GLY 51 3.042 7.428 -2.272 370 HA3 GLY 51 2HA GLY 51 2.890 6.798 -3.906 371 H GLU 52 H GLU 52 3.322 9.547 -2.132 372 HA GLU 52 HA GLU 52 1.781 11.521 -3.263 373 HB2 GLU 52 1HB GLU 52 4.701 11.632 -2.494 374 HB3 GLU 52 2HB GLU 52 3.720 13.046 -2.853 375 HG2 GLU 52 1HG GLU 52 2.174 12.255 -1.001 376 HG3 GLU 52 2HG GLU 52 3.463 11.139 -0.553 377 H THR 53 H THR 53 2.858 13.308 -4.745 378 HA THR 53 HA THR 53 2.683 12.655 -7.328 379 HB THR 53 HB THR 53 4.239 14.498 -7.902 380 HG1 THR 53 1HG THR 53 5.481 15.430 -6.361 381 HG21 THR 53 3HG2 THR 53 3.049 16.277 -6.576 382 HG22 THR 53 1HG2 THR 53 2.279 14.982 -5.662 383 HG23 THR 53 2HG2 THR 53 1.993 15.127 -7.396 384 H SER 54 H SER 54 5.704 12.421 -5.468 385 HA SER 54 HA SER 54 6.792 10.719 -7.614 386 HB2 SER 54 1HB SER 54 8.104 12.743 -7.386 387 HB3 SER 54 2HB SER 54 8.244 12.502 -5.645 388 HG SER 54 HG SER 54 9.095 10.353 -7.108 389 H CYS 55 H CYS 55 6.941 8.644 -7.117 390 HA CYS 55 HA CYS 55 8.055 7.705 -4.682 391 HB2 CYS 55 1HB CYS 55 5.886 8.231 -3.749 392 HB3 CYS 55 2HB CYS 55 5.073 7.376 -5.055 393 HG CYS 55 HG CYS 55 4.911 5.155 -3.798 394 H GLY 56 H GLY 56 8.808 5.655 -4.909 395 HA2 GLY 56 1HA GLY 56 8.328 4.391 -7.506 396 HA3 GLY 56 2HA GLY 56 9.654 4.033 -6.410 397 H PHE 57 H PHE 57 9.391 2.514 -4.802 398 HA PHE 57 HA PHE 57 7.184 0.680 -5.206 399 HB2 PHE 57 1HB PHE 57 8.474 -0.655 -3.422 400 HB3 PHE 57 2HB PHE 57 9.240 -0.434 -4.991 401 HD1 PHE 57 1HD PHE 57 11.062 1.228 -5.248 402 HD2 PHE 57 2HD PHE 57 9.431 0.224 -1.447 403 HE1 PHE 57 1HE PHE 57 13.037 2.198 -4.148 404 HE2 PHE 57 2HE PHE 57 11.403 1.194 -0.341 405 HZ PHE 57 HZ PHE 57 13.209 2.183 -1.692 406 H PHE 58 H PHE 58 5.596 0.191 -3.754 407 HA PHE 58 HA PHE 58 5.576 1.639 -1.200 408 HB2 PHE 58 1HB PHE 58 3.309 2.361 -1.498 409 HB3 PHE 58 2HB PHE 58 4.213 2.861 -2.923 410 HD1 PHE 58 1HD PHE 58 3.887 1.719 -5.065 411 HD2 PHE 58 2HD PHE 58 1.554 0.749 -1.639 412 HE1 PHE 58 1HE PHE 58 2.254 0.571 -6.505 413 HE2 PHE 58 2HE PHE 58 -0.081 -0.400 -3.073 414 HZ PHE 58 HZ PHE 58 0.268 -0.491 -5.509 415 H LYS 59 H LYS 59 4.949 0.441 0.489 416 HA LYS 59 HA LYS 59 4.551 -2.343 0.209 417 HB2 LYS 59 1HB LYS 59 4.330 -2.401 2.586 418 HB3 LYS 59 2HB LYS 59 5.545 -1.187 2.206 419 HG2 LYS 59 1HG LYS 59 3.909 0.581 2.542 420 HG3 LYS 59 2HG LYS 59 2.664 -0.623 2.881 421 HD2 LYS 59 1HD LYS 59 5.202 -0.538 4.475 422 HD3 LYS 59 2HD LYS 59 3.849 0.527 4.865 423 HE2 LYS 59 1HE LYS 59 3.528 -2.449 4.580 424 HE3 LYS 59 2HE LYS 59 3.976 -1.693 6.108 425 HZ1 LYS 59 3HZ LYS 59 1.773 -1.582 6.403 426 HZ2 LYS 59 1HZ LYS 59 1.422 -1.748 4.756 427 HZ3 LYS 59 2HZ LYS 59 1.849 -0.235 5.382 428 H CYS 60 H CYS 60 2.759 -3.523 -0.036 429 HA CYS 60 HA CYS 60 0.304 -2.379 -0.726 430 HB2 CYS 60 1HB CYS 60 0.880 -4.603 -1.472 431 HB3 CYS 60 2HB CYS 60 0.965 -5.184 0.188 432 HA PRO 61 HA PRO 61 -1.471 -1.392 3.192 433 HB2 PRO 61 1HB PRO 61 -4.054 -1.161 2.389 434 HB3 PRO 61 2HB PRO 61 -2.825 0.058 2.032 435 HG2 PRO 61 1HG PRO 61 -3.889 -2.127 0.285 436 HG3 PRO 61 2HG PRO 61 -3.544 -0.437 -0.124 437 HD2 PRO 61 1HD PRO 61 -1.856 -2.461 -0.746 438 HD3 PRO 61 2HD PRO 61 -1.284 -0.825 -0.360 439 H LEU 62 H LEU 62 -2.905 -3.937 1.191 440 HA LEU 62 HA LEU 62 -4.427 -5.099 3.302 441 HB2 LEU 62 1HB LEU 62 -3.667 -5.892 0.532 442 HB3 LEU 62 2HB LEU 62 -4.309 -7.119 1.621 443 HG LEU 62 HG LEU 62 -5.773 -4.556 1.040 444 HD11 LEU 62 1HD1 LEU 62 -5.260 -6.692 -0.770 445 HD12 LEU 62 2HD1 LEU 62 -6.270 -5.265 -0.999 446 HD13 LEU 62 3HD1 LEU 62 -6.963 -6.734 -0.313 447 HD21 LEU 62 3HD2 LEU 62 -6.889 -5.414 2.808 448 HD22 LEU 62 1HD2 LEU 62 -6.302 -7.052 2.525 449 HD23 LEU 62 2HD2 LEU 62 -7.636 -6.416 1.563 450 H CYS 63 H CYS 63 -1.418 -6.095 1.671 451 HA CYS 63 HA CYS 63 -0.765 -7.686 4.065 452 HB2 CYS 63 1HB CYS 63 0.524 -9.181 2.597 453 HB3 CYS 63 2HB CYS 63 -1.171 -9.121 2.126 454 H LYS 64 H LYS 64 1.393 -7.699 4.774 455 HA LYS 64 HA LYS 64 2.880 -5.298 4.013 456 HB2 LYS 64 1HB LYS 64 2.756 -7.024 6.435 457 HB3 LYS 64 2HB LYS 64 4.274 -6.201 6.101 458 HG2 LYS 64 1HG LYS 64 3.149 -4.056 6.119 459 HG3 LYS 64 2HG LYS 64 1.593 -4.853 6.365 460 HD2 LYS 64 1HD LYS 64 2.371 -5.723 8.510 461 HD3 LYS 64 2HD LYS 64 3.940 -4.954 8.261 462 HE2 LYS 64 1HE LYS 64 2.690 -3.541 9.707 463 HE3 LYS 64 2HE LYS 64 2.732 -2.759 8.128 464 HZ1 LYS 64 3HZ LYS 64 0.469 -4.503 8.830 465 HZ2 LYS 64 1HZ LYS 64 0.523 -3.203 7.749 466 HZ3 LYS 64 2HZ LYS 64 0.514 -2.916 9.415 467 H THR 65 H THR 65 2.976 -7.278 2.103 468 HA THR 65 HA THR 65 5.334 -8.894 2.435 469 HB THR 65 HB THR 65 4.963 -9.656 0.186 470 HG1 THR 65 1HG THR 65 2.823 -8.384 -0.637 471 HG21 THR 65 3HG2 THR 65 3.473 -10.661 1.765 472 HG22 THR 65 1HG2 THR 65 2.547 -10.323 0.304 473 HG23 THR 65 2HG2 THR 65 2.389 -9.271 1.711 474 H SER 66 H SER 66 7.039 -8.814 0.647 475 HA SER 66 HA SER 66 8.030 -6.071 0.516 476 HB2 SER 66 1HB SER 66 9.486 -7.916 1.384 477 HB3 SER 66 2HB SER 66 9.464 -8.631 -0.228 478 HG SER 66 HG SER 66 10.174 -5.947 -0.039 479 H VAL 67 H VAL 67 6.734 -5.247 -1.149 480 HA VAL 67 HA VAL 67 7.244 -6.391 -3.818 481 HB VAL 67 HB VAL 67 5.175 -5.347 -4.573 482 HG11 VAL 67 1HG1 VAL 67 4.338 -6.760 -2.090 483 HG12 VAL 67 2HG1 VAL 67 3.771 -6.958 -3.749 484 HG13 VAL 67 3HG1 VAL 67 5.330 -7.626 -3.263 485 HG21 VAL 67 3HG2 VAL 67 4.153 -3.709 -3.466 486 HG22 VAL 67 1HG2 VAL 67 4.031 -4.697 -2.009 487 HG23 VAL 67 2HG2 VAL 67 5.483 -3.741 -2.308 488 H ARG 68 H ARG 68 7.873 -5.049 -5.485 489 HA ARG 68 HA ARG 68 8.337 -2.222 -4.853 490 HB2 ARG 68 1HB ARG 68 10.371 -4.260 -5.670 491 HB3 ARG 68 2HB ARG 68 10.561 -2.595 -6.205 492 HG2 ARG 68 1HG ARG 68 10.976 -1.816 -4.096 493 HG3 ARG 68 2HG ARG 68 10.062 -3.111 -3.320 494 HD2 ARG 68 1HD ARG 68 11.889 -4.678 -4.144 495 HD3 ARG 68 2HD ARG 68 12.819 -3.226 -4.512 496 HE ARG 68 HE ARG 68 12.040 -2.927 -1.904 497 HH11 ARG 68 2HH1 ARG 68 13.823 -5.308 -3.712 498 HH12 ARG 68 1HH1 ARG 68 14.806 -5.783 -2.367 499 HH21 ARG 68 2HH2 ARG 68 13.328 -3.544 -0.125 500 HH22 ARG 68 1HH2 ARG 68 14.523 -4.780 -0.327 501 H LYS 69 H LYS 69 8.360 -0.829 -6.636 502 HA LYS 69 HA LYS 69 7.103 -1.955 -9.032 503 HB2 LYS 69 1HB LYS 69 6.246 0.099 -7.594 504 HB3 LYS 69 2HB LYS 69 7.383 0.985 -8.600 505 HG2 LYS 69 1HG LYS 69 6.221 -0.016 -10.597 506 HG3 LYS 69 2HG LYS 69 4.983 -0.595 -9.480 507 HD2 LYS 69 1HD LYS 69 5.792 2.293 -9.540 508 HD3 LYS 69 2HD LYS 69 4.603 1.655 -10.677 509 HE2 LYS 69 1HE LYS 69 4.270 1.074 -7.775 510 HE3 LYS 69 2HE LYS 69 3.875 2.688 -8.364 511 HZ1 LYS 69 3HZ LYS 69 1.959 1.919 -9.124 512 HZ2 LYS 69 1HZ LYS 69 2.314 0.385 -8.505 513 HZ3 LYS 69 2HZ LYS 69 2.749 0.779 -10.092 514 H ASN 70 H ASN 70 8.763 -2.692 -10.282 515 HA ASN 70 HA ASN 70 10.638 -0.650 -11.262 516 HB2 ASN 70 1HB ASN 70 11.364 -3.532 -10.686 517 HB3 ASN 70 2HB ASN 70 12.442 -2.290 -11.318 518 HD21 ASN 70 1HD2 ASN 70 12.441 -0.247 -9.878 519 HD22 ASN 70 2HD2 ASN 70 12.631 -0.545 -8.187 520 H ALA 71 H ALA 71 8.234 -1.315 -12.491 521 HA ALA 71 HA ALA 71 9.222 -2.294 -15.039 522 HB1 ALA 71 3HB ALA 71 6.721 -3.592 -14.672 523 HB2 ALA 71 1HB ALA 71 8.306 -4.311 -14.960 524 HB3 ALA 71 2HB ALA 71 7.764 -4.002 -13.310 525 H ILE 72 H ILE 72 8.665 -0.693 -16.357 526 HA ILE 72 HA ILE 72 6.334 0.938 -15.849 527 HB ILE 72 HB ILE 72 7.044 2.235 -17.800 528 HG12 ILE 72 1HG1 ILE 72 9.389 1.528 -18.719 529 HG13 ILE 72 2HG1 ILE 72 8.936 -0.070 -18.134 530 HG21 ILE 72 1HG2 ILE 72 8.714 3.299 -16.694 531 HG22 ILE 72 2HG2 ILE 72 8.200 2.220 -15.399 532 HG23 ILE 72 3HG2 ILE 72 9.606 1.811 -16.381 533 HD11 ILE 72 3HD1 ILE 72 6.776 1.031 -19.639 534 HD12 ILE 72 1HD1 ILE 72 8.267 1.136 -20.576 535 HD13 ILE 72 2HD1 ILE 72 7.728 -0.421 -19.948 536 H ARG 73 H ARG 73 4.846 1.468 -17.693 537 HA ARG 73 HA ARG 73 3.564 -0.893 -18.587 538 HB2 ARG 73 1HB ARG 73 2.555 1.437 -18.123 539 HB3 ARG 73 2HB ARG 73 3.072 1.833 -19.757 540 HG2 ARG 73 1HG ARG 73 1.727 -0.058 -20.602 541 HG3 ARG 73 2HG ARG 73 1.153 -0.344 -18.958 542 HD2 ARG 73 1HD ARG 73 0.424 2.124 -19.015 543 HD3 ARG 73 2HD ARG 73 0.622 1.991 -20.762 544 HE ARG 73 HE ARG 73 -1.462 0.813 -19.149 545 HH11 ARG 73 2HH1 ARG 73 0.246 0.740 -22.182 546 HH12 ARG 73 1HH1 ARG 73 -1.037 -0.053 -23.035 547 HH21 ARG 73 2HH2 ARG 73 -3.158 -0.231 -20.261 548 HH22 ARG 73 1HH2 ARG 73 -2.973 -0.604 -21.942 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -70.859 -1.613 -33.755 2 HA2 GLY 1 1HA GLY 1 -68.516 -0.749 -34.865 3 HA3 GLY 1 2HA GLY 1 -69.397 0.735 -34.533 4 H SER 2 H SER 2 -66.926 -0.688 -33.377 5 HA SER 2 HA SER 2 -67.200 0.273 -30.742 6 HB2 SER 2 1HB SER 2 -68.541 -2.008 -30.839 7 HB3 SER 2 2HB SER 2 -66.928 -2.704 -30.680 8 HG SER 2 HG SER 2 -67.774 -2.386 -28.635 9 H SER 3 H SER 3 -65.254 0.150 -29.548 10 HA SER 3 HA SER 3 -62.983 -1.271 -30.602 11 HB2 SER 3 1HB SER 3 -63.198 1.725 -30.883 12 HB3 SER 3 2HB SER 3 -61.643 0.895 -30.851 13 HG SER 3 HG SER 3 -63.260 -0.357 -32.567 14 H GLY 4 H GLY 4 -60.932 -0.550 -29.345 15 HA2 GLY 4 1HA GLY 4 -60.416 0.707 -27.175 16 HA3 GLY 4 2HA GLY 4 -61.745 -0.244 -26.528 17 H SER 5 H SER 5 -58.419 -0.127 -27.107 18 HA SER 5 HA SER 5 -58.062 -2.724 -25.889 19 HB2 SER 5 1HB SER 5 -57.224 -2.163 -28.729 20 HB3 SER 5 2HB SER 5 -56.406 -3.379 -27.748 21 HG SER 5 HG SER 5 -58.513 -3.782 -29.148 22 H SER 6 H SER 6 -56.255 -2.800 -24.671 23 HA SER 6 HA SER 6 -53.934 -1.224 -25.196 24 HB2 SER 6 1HB SER 6 -55.692 0.394 -24.176 25 HB3 SER 6 2HB SER 6 -55.353 -0.444 -22.662 26 HG SER 6 HG SER 6 -53.147 0.384 -24.122 27 H GLY 7 H GLY 7 -52.201 -1.676 -23.743 28 HA2 GLY 7 1HA GLY 7 -51.890 -2.874 -21.447 29 HA3 GLY 7 2HA GLY 7 -52.587 -4.221 -22.334 30 H MET 8 H MET 8 -49.746 -2.629 -21.499 31 HA MET 8 HA MET 8 -48.209 -4.417 -23.213 32 HB2 MET 8 1HB MET 8 -47.778 -1.425 -23.147 33 HB3 MET 8 2HB MET 8 -46.681 -2.580 -23.892 34 HG2 MET 8 1HG MET 8 -47.845 -1.954 -25.728 35 HG3 MET 8 2HG MET 8 -48.874 -3.279 -25.187 36 HE1 MET 8 3HE MET 8 -48.045 0.304 -25.097 37 HE2 MET 8 1HE MET 8 -49.579 1.145 -25.320 38 HE3 MET 8 2HE MET 8 -49.026 0.738 -23.696 39 H ALA 9 H ALA 9 -46.865 -5.468 -21.919 40 HA ALA 9 HA ALA 9 -45.059 -4.159 -20.169 41 HB1 ALA 9 3HB ALA 9 -47.614 -4.945 -19.053 42 HB2 ALA 9 1HB ALA 9 -46.265 -5.732 -18.234 43 HB3 ALA 9 2HB ALA 9 -46.324 -3.973 -18.347 44 H SER 10 H SER 10 -43.310 -5.354 -20.493 45 HA SER 10 HA SER 10 -43.241 -8.131 -19.843 46 HB2 SER 10 1HB SER 10 -43.414 -7.302 -22.699 47 HB3 SER 10 2HB SER 10 -42.283 -8.592 -22.294 48 HG SER 10 HG SER 10 -45.079 -8.522 -21.847 49 H GLY 11 H GLY 11 -41.064 -9.039 -20.029 50 HA2 GLY 11 1HA GLY 11 -38.736 -8.877 -20.187 51 HA3 GLY 11 2HA GLY 11 -38.905 -7.178 -20.601 52 H GLN 12 H GLN 12 -40.222 -8.889 -17.795 53 HA GLN 12 HA GLN 12 -38.684 -7.056 -16.083 54 HB2 GLN 12 1HB GLN 12 -41.373 -8.353 -15.764 55 HB3 GLN 12 2HB GLN 12 -40.482 -7.784 -14.359 56 HG2 GLN 12 1HG GLN 12 -40.403 -5.533 -15.353 57 HG3 GLN 12 2HG GLN 12 -41.372 -6.121 -16.704 58 HE21 GLN 12 1HE2 GLN 12 -42.315 -4.032 -15.336 59 HE22 GLN 12 2HE2 GLN 12 -43.656 -4.488 -14.347 60 H PHE 13 H PHE 13 -37.407 -9.323 -17.066 61 HA PHE 13 HA PHE 13 -37.006 -10.825 -14.578 62 HB2 PHE 13 1HB PHE 13 -37.563 -11.941 -17.306 63 HB3 PHE 13 2HB PHE 13 -36.563 -12.846 -16.174 64 HD1 PHE 13 1HD PHE 13 -37.517 -13.614 -14.027 65 HD2 PHE 13 2HD PHE 13 -39.913 -11.803 -17.042 66 HE1 PHE 13 1HE PHE 13 -39.541 -14.509 -12.951 67 HE2 PHE 13 2HE PHE 13 -41.941 -12.694 -15.971 68 HZ PHE 13 HZ PHE 13 -41.756 -14.048 -13.923 69 H VAL 14 H VAL 14 -34.963 -10.670 -13.962 70 HA VAL 14 HA VAL 14 -32.900 -10.223 -16.020 71 HB VAL 14 HB VAL 14 -32.886 -9.388 -13.116 72 HG11 VAL 14 1HG1 VAL 14 -30.656 -10.025 -13.914 73 HG12 VAL 14 2HG1 VAL 14 -30.825 -8.902 -15.265 74 HG13 VAL 14 3HG1 VAL 14 -30.771 -8.292 -13.611 75 HG21 VAL 14 3HG2 VAL 14 -32.641 -7.095 -14.412 76 HG22 VAL 14 1HG2 VAL 14 -33.498 -7.991 -15.666 77 HG23 VAL 14 2HG2 VAL 14 -34.222 -7.798 -14.070 78 H ASN 15 H ASN 15 -33.116 -11.484 -12.685 79 HA ASN 15 HA ASN 15 -32.131 -13.263 -11.666 80 HB2 ASN 15 1HB ASN 15 -32.182 -14.428 -14.460 81 HB3 ASN 15 2HB ASN 15 -31.941 -15.340 -12.973 82 HD21 ASN 15 1HD2 ASN 15 -34.147 -14.519 -15.235 83 HD22 ASN 15 2HD2 ASN 15 -35.600 -14.723 -14.322 84 H LYS 16 H LYS 16 -30.409 -11.196 -12.351 85 HA LYS 16 HA LYS 16 -27.902 -12.668 -12.579 86 HB2 LYS 16 1HB LYS 16 -28.688 -10.370 -14.369 87 HB3 LYS 16 2HB LYS 16 -27.019 -10.873 -14.138 88 HG2 LYS 16 1HG LYS 16 -27.547 -13.079 -15.022 89 HG3 LYS 16 2HG LYS 16 -29.233 -12.599 -15.230 90 HD2 LYS 16 1HD LYS 16 -28.668 -11.016 -16.902 91 HD3 LYS 16 2HD LYS 16 -26.946 -11.137 -16.534 92 HE2 LYS 16 1HE LYS 16 -26.807 -13.309 -17.462 93 HE3 LYS 16 2HE LYS 16 -28.562 -13.471 -17.531 94 HZ1 LYS 16 3HZ LYS 16 -27.718 -11.201 -18.999 95 HZ2 LYS 16 1HZ LYS 16 -28.580 -12.556 -19.533 96 HZ3 LYS 16 2HZ LYS 16 -26.889 -12.575 -19.535 97 H LEU 17 H LEU 17 -26.095 -11.568 -11.687 98 HA LEU 17 HA LEU 17 -26.737 -9.145 -10.149 99 HB2 LEU 17 1HB LEU 17 -26.862 -11.063 -8.654 100 HB3 LEU 17 2HB LEU 17 -25.245 -11.565 -9.144 101 HG LEU 17 HG LEU 17 -24.360 -9.460 -8.146 102 HD11 LEU 17 1HD1 LEU 17 -26.598 -8.282 -8.297 103 HD12 LEU 17 2HD1 LEU 17 -25.697 -8.069 -6.796 104 HD13 LEU 17 3HD1 LEU 17 -27.060 -9.187 -6.855 105 HD21 LEU 17 3HD2 LEU 17 -25.636 -11.669 -6.659 106 HD22 LEU 17 1HD2 LEU 17 -25.160 -10.259 -5.712 107 HD23 LEU 17 2HD2 LEU 17 -23.958 -11.123 -6.671 108 H GLN 18 H GLN 18 -24.996 -7.746 -9.736 109 HA GLN 18 HA GLN 18 -22.908 -7.870 -11.727 110 HB2 GLN 18 1HB GLN 18 -23.819 -5.826 -9.735 111 HB3 GLN 18 2HB GLN 18 -22.244 -5.659 -10.500 112 HG2 GLN 18 1HG GLN 18 -23.486 -4.446 -11.953 113 HG3 GLN 18 2HG GLN 18 -23.668 -6.036 -12.692 114 HE21 GLN 18 1HE2 GLN 18 -25.365 -3.508 -12.475 115 HE22 GLN 18 2HE2 GLN 18 -26.923 -4.103 -12.023 116 H GLU 19 H GLU 19 -21.372 -9.351 -11.249 117 HA GLU 19 HA GLU 19 -20.345 -9.614 -8.554 118 HB2 GLU 19 1HB GLU 19 -18.989 -11.422 -9.450 119 HB3 GLU 19 2HB GLU 19 -20.658 -11.603 -9.972 120 HG2 GLU 19 1HG GLU 19 -20.166 -10.964 -12.164 121 HG3 GLU 19 2HG GLU 19 -18.612 -10.268 -11.705 122 H GLU 20 H GLU 20 -19.940 -7.052 -9.585 123 HA GLU 20 HA GLU 20 -17.271 -6.813 -10.621 124 HB2 GLU 20 1HB GLU 20 -19.306 -4.826 -9.629 125 HB3 GLU 20 2HB GLU 20 -17.680 -4.337 -10.085 126 HG2 GLU 20 1HG GLU 20 -19.509 -5.840 -11.932 127 HG3 GLU 20 2HG GLU 20 -19.458 -4.080 -11.847 128 H VAL 21 H VAL 21 -15.413 -6.425 -9.549 129 HA VAL 21 HA VAL 21 -15.380 -6.850 -6.702 130 HB VAL 21 HB VAL 21 -13.098 -6.196 -8.572 131 HG11 VAL 21 1HG1 VAL 21 -12.600 -5.678 -6.233 132 HG12 VAL 21 2HG1 VAL 21 -13.068 -7.316 -5.771 133 HG13 VAL 21 3HG1 VAL 21 -11.660 -7.057 -6.802 134 HG21 VAL 21 3HG2 VAL 21 -14.140 -8.260 -9.238 135 HG22 VAL 21 1HG2 VAL 21 -12.623 -8.631 -8.417 136 HG23 VAL 21 2HG2 VAL 21 -14.157 -8.838 -7.572 137 H ILE 22 H ILE 22 -14.863 -5.409 -5.107 138 HA ILE 22 HA ILE 22 -14.841 -2.575 -5.900 139 HB ILE 22 HB ILE 22 -15.584 -3.763 -3.224 140 HG12 ILE 22 1HG1 ILE 22 -17.406 -2.519 -5.289 141 HG13 ILE 22 2HG1 ILE 22 -17.161 -4.255 -5.136 142 HG21 ILE 22 1HG2 ILE 22 -16.360 -1.535 -2.663 143 HG22 ILE 22 2HG2 ILE 22 -14.653 -1.492 -3.103 144 HG23 ILE 22 3HG2 ILE 22 -15.874 -0.943 -4.251 145 HD11 ILE 22 3HD1 ILE 22 -19.208 -3.234 -4.019 146 HD12 ILE 22 1HD1 ILE 22 -18.218 -4.335 -3.060 147 HD13 ILE 22 2HD1 ILE 22 -18.082 -2.592 -2.823 148 H CYS 23 H CYS 23 -13.456 -1.111 -4.799 149 HA CYS 23 HA CYS 23 -10.864 -2.203 -4.249 150 HB2 CYS 23 1HB CYS 23 -11.420 0.041 -5.382 151 HB3 CYS 23 2HB CYS 23 -11.687 0.651 -3.752 152 HA PRO 24 HA PRO 24 -11.723 -2.799 0.096 153 HB2 PRO 24 1HB PRO 24 -9.295 -3.860 0.691 154 HB3 PRO 24 2HB PRO 24 -10.579 -4.782 -0.100 155 HG2 PRO 24 1HG PRO 24 -8.193 -3.438 -1.309 156 HG3 PRO 24 2HG PRO 24 -8.876 -5.035 -1.663 157 HD2 PRO 24 1HD PRO 24 -9.332 -2.875 -3.232 158 HD3 PRO 24 2HD PRO 24 -10.530 -4.167 -3.014 159 H ILE 25 H ILE 25 -9.927 -0.490 -1.374 160 HA ILE 25 HA ILE 25 -8.732 0.488 1.131 161 HB ILE 25 HB ILE 25 -8.130 1.320 -1.710 162 HG12 ILE 25 1HG1 ILE 25 -6.443 -0.246 0.254 163 HG13 ILE 25 2HG1 ILE 25 -7.337 -0.957 -1.085 164 HG21 ILE 25 1HG2 ILE 25 -6.337 2.646 -0.776 165 HG22 ILE 25 2HG2 ILE 25 -7.873 3.136 -0.064 166 HG23 ILE 25 3HG2 ILE 25 -6.760 2.121 0.853 167 HD11 ILE 25 3HD1 ILE 25 -4.898 -0.603 -1.489 168 HD12 ILE 25 1HD1 ILE 25 -5.967 0.133 -2.683 169 HD13 ILE 25 2HD1 ILE 25 -5.209 1.132 -1.443 170 H CYS 26 H CYS 26 -10.692 1.474 -1.651 171 HA CYS 26 HA CYS 26 -11.681 3.738 -0.043 172 HB2 CYS 26 1HB CYS 26 -12.038 4.964 -2.151 173 HB3 CYS 26 2HB CYS 26 -10.343 4.552 -1.916 174 H LEU 27 H LEU 27 -12.528 0.804 -0.891 175 HA LEU 27 HA LEU 27 -14.447 -0.297 -1.503 176 HB2 LEU 27 1HB LEU 27 -15.737 1.897 0.104 177 HB3 LEU 27 2HB LEU 27 -16.315 0.247 -0.120 178 HG LEU 27 HG LEU 27 -13.821 1.010 1.397 179 HD11 LEU 27 1HD1 LEU 27 -16.611 0.371 2.321 180 HD12 LEU 27 2HD1 LEU 27 -15.660 1.820 2.648 181 HD13 LEU 27 3HD1 LEU 27 -15.198 0.280 3.374 182 HD21 LEU 27 3HD2 LEU 27 -15.286 -1.621 1.245 183 HD22 LEU 27 1HD2 LEU 27 -13.792 -1.284 2.121 184 HD23 LEU 27 2HD2 LEU 27 -13.810 -1.240 0.357 185 H ASP 28 H ASP 28 -13.798 1.068 -3.660 186 HA ASP 28 HA ASP 28 -16.357 2.183 -4.591 187 HB2 ASP 28 1HB ASP 28 -13.584 3.219 -5.211 188 HB3 ASP 28 2HB ASP 28 -15.040 3.725 -6.063 189 H ILE 29 H ILE 29 -17.000 1.605 -6.637 190 HA ILE 29 HA ILE 29 -16.425 -0.834 -7.666 191 HB ILE 29 HB ILE 29 -17.142 1.603 -9.300 192 HG12 ILE 29 1HG1 ILE 29 -18.975 -0.519 -8.175 193 HG13 ILE 29 2HG1 ILE 29 -18.652 1.005 -7.355 194 HG21 ILE 29 1HG2 ILE 29 -17.982 -1.122 -10.097 195 HG22 ILE 29 2HG2 ILE 29 -17.570 0.275 -11.090 196 HG23 ILE 29 3HG2 ILE 29 -16.292 -0.691 -10.353 197 HD11 ILE 29 3HD1 ILE 29 -20.374 0.422 -9.638 198 HD12 ILE 29 1HD1 ILE 29 -20.454 1.726 -8.453 199 HD13 ILE 29 2HD1 ILE 29 -19.367 1.856 -9.836 200 H LEU 30 H LEU 30 -14.379 -1.552 -7.905 201 HA LEU 30 HA LEU 30 -12.160 -0.110 -8.740 202 HB2 LEU 30 1HB LEU 30 -12.860 -3.013 -8.751 203 HB3 LEU 30 2HB LEU 30 -11.368 -2.475 -9.520 204 HG LEU 30 HG LEU 30 -12.063 -1.948 -6.633 205 HD11 LEU 30 1HD1 LEU 30 -10.957 -3.841 -5.986 206 HD12 LEU 30 2HD1 LEU 30 -9.998 -3.922 -7.463 207 HD13 LEU 30 3HD1 LEU 30 -11.692 -4.410 -7.485 208 HD21 LEU 30 3HD2 LEU 30 -10.031 -0.959 -6.422 209 HD22 LEU 30 1HD2 LEU 30 -10.324 -0.582 -8.120 210 HD23 LEU 30 2HD2 LEU 30 -9.293 -1.946 -7.685 211 H GLN 31 H GLN 31 -12.579 1.182 -10.515 212 HA GLN 31 HA GLN 31 -13.716 0.233 -12.931 213 HB2 GLN 31 1HB GLN 31 -12.135 2.691 -12.216 214 HB3 GLN 31 2HB GLN 31 -12.653 2.378 -13.867 215 HG2 GLN 31 1HG GLN 31 -14.876 2.684 -13.375 216 HG3 GLN 31 2HG GLN 31 -14.661 2.301 -11.668 217 HE21 GLN 31 1HE2 GLN 31 -15.924 4.233 -11.314 218 HE22 GLN 31 2HE2 GLN 31 -15.143 5.774 -11.329 219 H LYS 32 H LYS 32 -10.393 0.655 -11.815 220 HA LYS 32 HA LYS 32 -9.505 -1.025 -14.055 221 HB2 LYS 32 1HB LYS 32 -8.086 1.465 -13.090 222 HB3 LYS 32 2HB LYS 32 -7.499 0.363 -14.329 223 HG2 LYS 32 1HG LYS 32 -9.345 0.944 -15.774 224 HG3 LYS 32 2HG LYS 32 -10.038 1.971 -14.517 225 HD2 LYS 32 1HD LYS 32 -8.383 3.582 -14.744 226 HD3 LYS 32 2HD LYS 32 -7.248 2.453 -15.488 227 HE2 LYS 32 1HE LYS 32 -9.800 3.378 -16.796 228 HE3 LYS 32 2HE LYS 32 -8.235 4.149 -17.048 229 HZ1 LYS 32 3HZ LYS 32 -7.798 1.472 -17.475 230 HZ2 LYS 32 1HZ LYS 32 -7.912 2.678 -18.657 231 HZ3 LYS 32 2HZ LYS 32 -9.281 1.783 -18.227 232 HA PRO 33 HA PRO 33 -8.008 -2.799 -10.096 233 HB2 PRO 33 1HB PRO 33 -8.221 -5.374 -10.932 234 HB3 PRO 33 2HB PRO 33 -9.581 -4.466 -10.261 235 HG2 PRO 33 1HG PRO 33 -8.897 -5.010 -13.124 236 HG3 PRO 33 2HG PRO 33 -10.476 -5.072 -12.320 237 HD2 PRO 33 1HD PRO 33 -9.691 -2.966 -13.830 238 HD3 PRO 33 2HD PRO 33 -10.758 -2.787 -12.422 239 H VAL 34 H VAL 34 -5.889 -2.945 -9.744 240 HA VAL 34 HA VAL 34 -4.172 -4.025 -11.883 241 HB VAL 34 HB VAL 34 -3.496 -1.785 -9.970 242 HG11 VAL 34 1HG1 VAL 34 -1.857 -3.078 -12.148 243 HG12 VAL 34 2HG1 VAL 34 -1.403 -1.620 -11.264 244 HG13 VAL 34 3HG1 VAL 34 -1.552 -3.158 -10.413 245 HG21 VAL 34 3HG2 VAL 34 -4.595 -1.852 -12.679 246 HG22 VAL 34 1HG2 VAL 34 -4.583 -0.550 -11.490 247 HG23 VAL 34 2HG2 VAL 34 -3.171 -0.826 -12.510 248 H THR 35 H THR 35 -3.196 -5.838 -11.302 249 HA THR 35 HA THR 35 -3.055 -6.610 -8.513 250 HB THR 35 HB THR 35 -2.053 -8.129 -10.927 251 HG1 THR 35 1HG THR 35 -4.389 -7.584 -10.854 252 HG21 THR 35 3HG2 THR 35 -2.988 -9.737 -8.745 253 HG22 THR 35 1HG2 THR 35 -1.776 -8.598 -8.162 254 HG23 THR 35 2HG2 THR 35 -1.389 -9.695 -9.488 255 H ILE 36 H ILE 36 -1.277 -6.653 -7.259 256 HA ILE 36 HA ILE 36 1.232 -5.689 -8.456 257 HB ILE 36 HB ILE 36 1.881 -5.027 -6.167 258 HG12 ILE 36 1HG1 ILE 36 -0.966 -5.693 -5.402 259 HG13 ILE 36 2HG1 ILE 36 0.409 -6.730 -5.035 260 HG21 ILE 36 1HG2 ILE 36 0.819 -3.420 -7.673 261 HG22 ILE 36 2HG2 ILE 36 -0.766 -3.897 -7.065 262 HG23 ILE 36 3HG2 ILE 36 0.388 -3.107 -5.991 263 HD11 ILE 36 3HD1 ILE 36 1.318 -5.179 -3.542 264 HD12 ILE 36 1HD1 ILE 36 0.302 -3.871 -4.147 265 HD13 ILE 36 2HD1 ILE 36 -0.412 -5.179 -3.203 266 H ASP 37 H ASP 37 3.187 -6.412 -6.987 267 HA ASP 37 HA ASP 37 3.774 -9.025 -7.480 268 HB2 ASP 37 1HB ASP 37 5.429 -7.366 -6.723 269 HB3 ASP 37 2HB ASP 37 4.741 -7.423 -5.102 270 H CYS 38 H CYS 38 2.224 -7.726 -4.577 271 HA CYS 38 HA CYS 38 2.136 -10.169 -3.152 272 HB2 CYS 38 1HB CYS 38 0.957 -9.018 -1.544 273 HB3 CYS 38 2HB CYS 38 1.726 -7.676 -2.385 274 H GLY 39 H GLY 39 0.042 -8.704 -5.545 275 HA2 GLY 39 1HA GLY 39 -1.255 -10.269 -6.920 276 HA3 GLY 39 2HA GLY 39 -1.643 -11.129 -5.437 277 H HIS 40 H HIS 40 -2.423 -9.180 -3.736 278 HA HIS 40 HA HIS 40 -5.046 -8.773 -4.141 279 HB2 HIS 40 1HB HIS 40 -3.086 -6.891 -2.824 280 HB3 HIS 40 2HB HIS 40 -4.831 -6.673 -2.737 281 HD2 HIS 40 2HD HIS 40 -5.605 -9.831 -2.100 282 HE1 HIS 40 1HE HIS 40 -3.099 -9.263 1.276 283 HE2 HIS 40 2HE HIS 40 -4.840 -10.731 0.202 284 H ASN 41 H ASN 41 -6.401 -7.136 -4.963 285 HA ASN 41 HA ASN 41 -5.201 -5.646 -7.193 286 HB2 ASN 41 1HB ASN 41 -7.955 -6.743 -6.698 287 HB3 ASN 41 2HB ASN 41 -7.704 -5.452 -7.870 288 HD21 ASN 41 1HD2 ASN 41 -7.007 -8.770 -7.065 289 HD22 ASN 41 2HD2 ASN 41 -6.507 -9.255 -8.646 290 H PHE 42 H PHE 42 -5.388 -3.467 -7.363 291 HA PHE 42 HA PHE 42 -7.038 -2.040 -5.408 292 HB2 PHE 42 1HB PHE 42 -4.093 -1.554 -5.886 293 HB3 PHE 42 2HB PHE 42 -5.144 -0.446 -5.010 294 HD1 PHE 42 1HD PHE 42 -6.602 -1.744 -3.127 295 HD2 PHE 42 2HD PHE 42 -2.782 -2.910 -4.598 296 HE1 PHE 42 1HE PHE 42 -6.186 -2.992 -1.047 297 HE2 PHE 42 2HE PHE 42 -2.360 -4.160 -2.522 298 HZ PHE 42 HZ PHE 42 -4.063 -4.203 -0.743 299 H CYS 43 H CYS 43 -7.769 -0.025 -6.072 300 HA CYS 43 HA CYS 43 -7.908 0.352 -8.908 301 HB2 CYS 43 1HB CYS 43 -9.611 1.825 -8.478 302 HB3 CYS 43 2HB CYS 43 -9.637 0.919 -6.969 303 H LEU 44 H LEU 44 -6.914 1.847 -10.172 304 HA LEU 44 HA LEU 44 -4.405 2.762 -9.664 305 HB2 LEU 44 1HB LEU 44 -5.317 2.837 -11.873 306 HB3 LEU 44 2HB LEU 44 -6.542 4.006 -11.382 307 HG LEU 44 HG LEU 44 -4.661 5.632 -10.964 308 HD11 LEU 44 1HD1 LEU 44 -3.133 3.284 -11.793 309 HD12 LEU 44 2HD1 LEU 44 -2.626 4.709 -10.887 310 HD13 LEU 44 3HD1 LEU 44 -2.696 4.763 -12.649 311 HD21 LEU 44 3HD2 LEU 44 -5.348 4.561 -13.676 312 HD22 LEU 44 1HD2 LEU 44 -4.246 5.925 -13.490 313 HD23 LEU 44 2HD2 LEU 44 -5.900 6.040 -12.888 314 H LYS 45 H LYS 45 -7.357 4.738 -9.339 315 HA LYS 45 HA LYS 45 -6.333 7.080 -8.418 316 HB2 LYS 45 1HB LYS 45 -8.778 5.702 -7.293 317 HB3 LYS 45 2HB LYS 45 -8.428 7.423 -7.200 318 HG2 LYS 45 1HG LYS 45 -8.735 5.961 -9.807 319 HG3 LYS 45 2HG LYS 45 -10.086 6.719 -8.958 320 HD2 LYS 45 1HD LYS 45 -9.185 8.871 -9.222 321 HD3 LYS 45 2HD LYS 45 -7.587 8.244 -9.635 322 HE2 LYS 45 1HE LYS 45 -8.247 7.635 -11.781 323 HE3 LYS 45 2HE LYS 45 -9.959 7.634 -11.359 324 HZ1 LYS 45 3HZ LYS 45 -9.714 9.567 -12.573 325 HZ2 LYS 45 1HZ LYS 45 -8.195 9.927 -11.921 326 HZ3 LYS 45 2HZ LYS 45 -9.588 10.136 -10.985 327 H CYS 46 H CYS 46 -6.515 4.052 -6.698 328 HA CYS 46 HA CYS 46 -5.786 5.240 -4.158 329 HB2 CYS 46 1HB CYS 46 -6.553 2.541 -5.122 330 HB3 CYS 46 2HB CYS 46 -5.484 2.599 -3.724 331 H ILE 47 H ILE 47 -4.305 2.709 -6.194 332 HA ILE 47 HA ILE 47 -1.835 2.614 -4.974 333 HB ILE 47 HB ILE 47 -2.512 2.219 -7.888 334 HG12 ILE 47 1HG1 ILE 47 -1.947 0.181 -5.730 335 HG13 ILE 47 2HG1 ILE 47 -3.568 0.709 -6.167 336 HG21 ILE 47 1HG2 ILE 47 -0.129 2.758 -7.596 337 HG22 ILE 47 2HG2 ILE 47 0.013 1.434 -6.441 338 HG23 ILE 47 3HG2 ILE 47 -0.379 1.094 -8.126 339 HD11 ILE 47 3HD1 ILE 47 -1.965 -0.172 -8.439 340 HD12 ILE 47 1HD1 ILE 47 -2.259 -1.425 -7.233 341 HD13 ILE 47 2HD1 ILE 47 -3.617 -0.584 -7.981 342 H THR 48 H THR 48 -3.143 5.076 -7.005 343 HA THR 48 HA THR 48 -0.582 6.260 -7.644 344 HB THR 48 HB THR 48 -2.856 6.357 -8.998 345 HG1 THR 48 1HG THR 48 -1.974 8.615 -9.655 346 HG21 THR 48 3HG2 THR 48 -3.024 9.026 -7.662 347 HG22 THR 48 1HG2 THR 48 -3.842 7.640 -6.944 348 HG23 THR 48 2HG2 THR 48 -4.250 8.153 -8.581 349 H GLN 49 H GLN 49 -3.104 6.650 -5.266 350 HA GLN 49 HA GLN 49 -2.194 9.208 -4.335 351 HB2 GLN 49 1HB GLN 49 -4.271 7.241 -3.516 352 HB3 GLN 49 2HB GLN 49 -3.707 8.380 -2.300 353 HG2 GLN 49 1HG GLN 49 -4.555 9.374 -4.981 354 HG3 GLN 49 2HG GLN 49 -5.767 8.951 -3.773 355 HE21 GLN 49 1HE2 GLN 49 -3.407 11.224 -4.767 356 HE22 GLN 49 2HE2 GLN 49 -3.659 12.377 -3.506 357 H ILE 50 H ILE 50 -1.959 5.866 -3.160 358 HA ILE 50 HA ILE 50 -0.650 6.289 -0.770 359 HB ILE 50 HB ILE 50 -0.124 4.028 -2.702 360 HG12 ILE 50 1HG1 ILE 50 -2.006 3.932 -0.362 361 HG13 ILE 50 2HG1 ILE 50 -2.549 4.548 -1.919 362 HG21 ILE 50 1HG2 ILE 50 0.828 2.832 -0.960 363 HG22 ILE 50 2HG2 ILE 50 1.449 4.461 -0.696 364 HG23 ILE 50 3HG2 ILE 50 0.105 3.862 0.276 365 HD11 ILE 50 3HD1 ILE 50 -3.092 2.181 -1.583 366 HD12 ILE 50 1HD1 ILE 50 -2.037 2.442 -2.971 367 HD13 ILE 50 2HD1 ILE 50 -1.371 1.820 -1.461 368 H GLY 51 H GLY 51 0.822 5.823 -3.982 369 HA2 GLY 51 1HA GLY 51 3.472 5.858 -3.442 370 HA3 GLY 51 2HA GLY 51 2.788 6.705 -4.821 371 H GLU 52 H GLU 52 4.787 7.092 -2.292 372 HA GLU 52 HA GLU 52 3.965 9.677 -1.357 373 HB2 GLU 52 1HB GLU 52 6.159 9.700 -0.213 374 HB3 GLU 52 2HB GLU 52 5.240 8.238 0.114 375 HG2 GLU 52 1HG GLU 52 6.646 7.341 -1.942 376 HG3 GLU 52 2HG GLU 52 7.756 8.601 -1.405 377 H THR 53 H THR 53 4.352 11.587 -2.256 378 HA THR 53 HA THR 53 4.981 13.102 -3.856 379 HB THR 53 HB THR 53 7.730 11.961 -3.336 380 HG1 THR 53 1HG THR 53 7.770 13.167 -1.506 381 HG21 THR 53 3HG2 THR 53 6.677 14.481 -4.526 382 HG22 THR 53 1HG2 THR 53 8.073 13.511 -4.994 383 HG23 THR 53 2HG2 THR 53 8.161 14.557 -3.576 384 H SER 54 H SER 54 4.138 10.601 -4.952 385 HA SER 54 HA SER 54 4.173 9.374 -6.873 386 HB2 SER 54 1HB SER 54 3.983 11.905 -7.607 387 HB3 SER 54 2HB SER 54 5.585 11.604 -8.280 388 HG SER 54 HG SER 54 4.754 10.208 -9.690 389 H CYS 55 H CYS 55 6.130 8.490 -5.350 390 HA CYS 55 HA CYS 55 8.623 8.521 -6.876 391 HB2 CYS 55 1HB CYS 55 7.864 7.800 -4.088 392 HB3 CYS 55 2HB CYS 55 9.243 6.968 -4.796 393 HG CYS 55 HG CYS 55 9.054 10.015 -3.544 394 H GLY 56 H GLY 56 6.222 6.225 -5.621 395 HA2 GLY 56 1HA GLY 56 5.590 4.487 -7.321 396 HA3 GLY 56 2HA GLY 56 7.318 4.214 -7.489 397 H PHE 57 H PHE 57 8.418 3.775 -5.269 398 HA PHE 57 HA PHE 57 7.625 1.322 -4.337 399 HB2 PHE 57 1HB PHE 57 9.248 3.496 -3.031 400 HB3 PHE 57 2HB PHE 57 8.975 1.949 -2.237 401 HD1 PHE 57 2HD PHE 57 10.303 3.458 -5.358 402 HD2 PHE 57 1HD PHE 57 10.339 0.129 -2.707 403 HE1 PHE 57 2HE PHE 57 12.194 2.493 -6.602 404 HE2 PHE 57 1HE PHE 57 12.231 -0.841 -3.945 405 HZ PHE 57 HZ PHE 57 13.160 0.340 -5.896 406 H PHE 58 H PHE 58 5.850 0.686 -3.326 407 HA PHE 58 HA PHE 58 4.854 2.165 -1.043 408 HB2 PHE 58 1HB PHE 58 2.744 2.692 -1.841 409 HB3 PHE 58 2HB PHE 58 3.735 2.984 -3.267 410 HD1 PHE 58 1HD PHE 58 3.805 1.273 -5.078 411 HD2 PHE 58 2HD PHE 58 1.058 1.049 -1.834 412 HE1 PHE 58 1HE PHE 58 2.420 -0.302 -6.365 413 HE2 PHE 58 2HE PHE 58 -0.331 -0.527 -3.115 414 HZ PHE 58 HZ PHE 58 0.349 -1.205 -5.383 415 H LYS 59 H LYS 59 4.093 0.828 0.482 416 HA LYS 59 HA LYS 59 4.121 -2.013 -0.039 417 HB2 LYS 59 1HB LYS 59 3.946 -2.293 2.324 418 HB3 LYS 59 2HB LYS 59 5.058 -0.958 2.045 419 HG2 LYS 59 1HG LYS 59 3.342 0.644 2.589 420 HG3 LYS 59 2HG LYS 59 2.145 -0.644 2.743 421 HD2 LYS 59 1HD LYS 59 3.785 -1.600 4.517 422 HD3 LYS 59 2HD LYS 59 4.440 0.039 4.542 423 HE2 LYS 59 1HE LYS 59 1.500 -0.475 4.845 424 HE3 LYS 59 2HE LYS 59 2.592 -0.567 6.226 425 HZ1 LYS 59 3HZ LYS 59 2.899 1.812 4.623 426 HZ2 LYS 59 1HZ LYS 59 2.800 1.643 6.304 427 HZ3 LYS 59 2HZ LYS 59 1.388 1.679 5.372 428 H CYS 60 H CYS 60 2.367 -3.442 0.526 429 HA CYS 60 HA CYS 60 -0.184 -2.387 -0.344 430 HB2 CYS 60 1HB CYS 60 0.462 -4.502 -1.272 431 HB3 CYS 60 2HB CYS 60 0.761 -5.176 0.327 432 HA PRO 61 HA PRO 61 -1.835 -1.776 3.700 433 HB2 PRO 61 1HB PRO 61 -4.467 -1.730 3.039 434 HB3 PRO 61 2HB PRO 61 -3.366 -0.391 2.692 435 HG2 PRO 61 1HG PRO 61 -4.334 -2.566 0.877 436 HG3 PRO 61 2HG PRO 61 -4.155 -0.833 0.549 437 HD2 PRO 61 1HD PRO 61 -2.337 -2.666 -0.269 438 HD3 PRO 61 2HD PRO 61 -1.886 -1.009 0.182 439 H LEU 62 H LEU 62 -3.621 -4.131 1.695 440 HA LEU 62 HA LEU 62 -4.790 -5.574 3.760 441 HB2 LEU 62 1HB LEU 62 -3.880 -6.487 1.038 442 HB3 LEU 62 2HB LEU 62 -4.873 -7.459 2.120 443 HG LEU 62 HG LEU 62 -5.734 -4.756 1.114 444 HD11 LEU 62 1HD1 LEU 62 -5.405 -6.081 -0.845 445 HD12 LEU 62 2HD1 LEU 62 -7.134 -6.038 -0.503 446 HD13 LEU 62 3HD1 LEU 62 -6.192 -7.473 -0.101 447 HD21 LEU 62 3HD2 LEU 62 -6.786 -5.812 3.164 448 HD22 LEU 62 1HD2 LEU 62 -7.404 -7.061 2.083 449 HD23 LEU 62 2HD2 LEU 62 -7.885 -5.379 1.853 450 H CYS 63 H CYS 63 -1.765 -6.312 2.022 451 HA CYS 63 HA CYS 63 -0.890 -7.825 4.394 452 HB2 CYS 63 1HB CYS 63 0.216 -9.433 2.969 453 HB3 CYS 63 2HB CYS 63 -1.474 -9.320 2.489 454 H LYS 64 H LYS 64 1.200 -7.543 5.060 455 HA LYS 64 HA LYS 64 2.590 -5.247 3.930 456 HB2 LYS 64 1HB LYS 64 2.160 -5.689 6.447 457 HB3 LYS 64 2HB LYS 64 3.505 -6.815 6.324 458 HG2 LYS 64 1HG LYS 64 4.885 -4.922 5.433 459 HG3 LYS 64 2HG LYS 64 3.546 -3.848 5.844 460 HD2 LYS 64 1HD LYS 64 3.751 -4.327 8.155 461 HD3 LYS 64 2HD LYS 64 4.832 -5.689 7.849 462 HE2 LYS 64 1HE LYS 64 5.549 -2.876 7.074 463 HE3 LYS 64 2HE LYS 64 5.879 -3.512 8.685 464 HZ1 LYS 64 3HZ LYS 64 6.818 -4.843 6.209 465 HZ2 LYS 64 1HZ LYS 64 7.310 -5.144 7.800 466 HZ3 LYS 64 2HZ LYS 64 7.742 -3.696 7.042 467 H THR 65 H THR 65 3.281 -6.284 1.977 468 HA THR 65 HA THR 65 5.526 -8.152 2.379 469 HB THR 65 HB THR 65 3.591 -9.134 1.142 470 HG1 THR 65 1HG THR 65 4.925 -9.999 -0.495 471 HG21 THR 65 3HG2 THR 65 4.253 -7.683 -1.325 472 HG22 THR 65 1HG2 THR 65 3.422 -6.719 -0.105 473 HG23 THR 65 2HG2 THR 65 2.688 -8.207 -0.703 474 H SER 66 H SER 66 7.078 -8.073 0.425 475 HA SER 66 HA SER 66 7.881 -5.290 0.114 476 HB2 SER 66 1HB SER 66 9.549 -6.962 0.852 477 HB3 SER 66 2HB SER 66 9.339 -7.826 -0.671 478 HG SER 66 HG SER 66 10.656 -6.465 -1.559 479 H VAL 67 H VAL 67 7.600 -4.159 -1.691 480 HA VAL 67 HA VAL 67 7.487 -5.471 -4.277 481 HB VAL 67 HB VAL 67 5.143 -5.547 -3.491 482 HG11 VAL 67 1HG1 VAL 67 4.286 -3.848 -2.350 483 HG12 VAL 67 2HG1 VAL 67 5.730 -2.882 -2.660 484 HG13 VAL 67 3HG1 VAL 67 4.382 -2.845 -3.797 485 HG21 VAL 67 3HG2 VAL 67 5.637 -5.394 -5.878 486 HG22 VAL 67 1HG2 VAL 67 4.145 -4.541 -5.484 487 HG23 VAL 67 2HG2 VAL 67 5.629 -3.634 -5.774 488 H ARG 68 H ARG 68 7.787 -4.048 -6.034 489 HA ARG 68 HA ARG 68 8.132 -1.217 -5.526 490 HB2 ARG 68 1HB ARG 68 10.449 -1.123 -6.225 491 HB3 ARG 68 2HB ARG 68 10.299 -2.196 -4.841 492 HG2 ARG 68 1HG ARG 68 10.454 -4.132 -6.266 493 HG3 ARG 68 2HG ARG 68 10.462 -3.109 -7.704 494 HD2 ARG 68 1HD ARG 68 12.523 -2.623 -5.617 495 HD3 ARG 68 2HD ARG 68 12.698 -4.046 -6.643 496 HE ARG 68 HE ARG 68 13.014 -1.287 -7.423 497 HH11 ARG 68 2HH1 ARG 68 12.439 -4.549 -8.494 498 HH12 ARG 68 1HH1 ARG 68 13.007 -4.259 -10.105 499 HH21 ARG 68 2HH2 ARG 68 13.764 -0.893 -9.541 500 HH22 ARG 68 1HH2 ARG 68 13.761 -2.179 -10.699 501 H LYS 69 H LYS 69 7.820 -0.003 -7.324 502 HA LYS 69 HA LYS 69 7.107 -1.445 -9.763 503 HB2 LYS 69 1HB LYS 69 6.655 1.426 -8.931 504 HB3 LYS 69 2HB LYS 69 6.132 0.741 -10.464 505 HG2 LYS 69 1HG LYS 69 4.805 -0.934 -9.126 506 HG3 LYS 69 2HG LYS 69 5.166 0.048 -7.705 507 HD2 LYS 69 1HD LYS 69 4.040 1.391 -10.113 508 HD3 LYS 69 2HD LYS 69 2.961 0.418 -9.110 509 HE2 LYS 69 1HE LYS 69 3.470 1.738 -7.176 510 HE3 LYS 69 2HE LYS 69 4.736 2.608 -8.042 511 HZ1 LYS 69 3HZ LYS 69 2.995 4.074 -8.153 512 HZ2 LYS 69 1HZ LYS 69 1.818 2.865 -8.270 513 HZ3 LYS 69 2HZ LYS 69 2.783 3.237 -9.608 514 H ASN 70 H ASN 70 8.851 -1.836 -10.998 515 HA ASN 70 HA ASN 70 10.938 0.171 -11.276 516 HB2 ASN 70 1HB ASN 70 11.449 -2.281 -11.008 517 HB3 ASN 70 2HB ASN 70 10.763 -2.536 -12.610 518 HD21 ASN 70 1HD2 ASN 70 12.513 -3.104 -13.745 519 HD22 ASN 70 2HD2 ASN 70 13.921 -2.122 -13.942 520 H ALA 71 H ALA 71 8.494 1.022 -12.287 521 HA ALA 71 HA ALA 71 9.014 1.022 -15.189 522 HB1 ALA 71 3HB ALA 71 6.970 0.176 -15.431 523 HB2 ALA 71 1HB ALA 71 6.583 0.432 -13.729 524 HB3 ALA 71 2HB ALA 71 6.355 1.739 -14.892 525 H ILE 72 H ILE 72 10.287 2.884 -15.106 526 HA ILE 72 HA ILE 72 8.974 5.332 -14.148 527 HB ILE 72 HB ILE 72 11.229 4.844 -13.242 528 HG12 ILE 72 1HG1 ILE 72 11.382 7.268 -15.023 529 HG13 ILE 72 2HG1 ILE 72 10.263 7.193 -13.666 530 HG21 ILE 72 1HG2 ILE 72 13.149 5.305 -14.872 531 HG22 ILE 72 2HG2 ILE 72 12.356 3.733 -14.961 532 HG23 ILE 72 3HG2 ILE 72 11.972 4.982 -16.145 533 HD11 ILE 72 3HD1 ILE 72 12.749 6.412 -12.651 534 HD12 ILE 72 1HD1 ILE 72 13.058 7.804 -13.689 535 HD13 ILE 72 2HD1 ILE 72 11.893 7.928 -12.370 536 H ARG 73 H ARG 73 8.723 7.116 -15.468 537 HA ARG 73 HA ARG 73 9.717 7.153 -18.163 538 HB2 ARG 73 1HB ARG 73 7.492 7.214 -19.241 539 HB3 ARG 73 2HB ARG 73 7.839 5.658 -18.498 540 HG2 ARG 73 1HG ARG 73 6.309 7.717 -16.975 541 HG3 ARG 73 2HG ARG 73 5.502 6.747 -18.208 542 HD2 ARG 73 1HD ARG 73 7.190 5.346 -16.203 543 HD3 ARG 73 2HD ARG 73 5.630 5.977 -15.677 544 HE ARG 73 HE ARG 73 6.100 3.749 -17.445 545 HH11 ARG 73 2HH1 ARG 73 3.824 6.156 -16.375 546 HH12 ARG 73 1HH1 ARG 73 2.434 5.249 -16.870 547 HH21 ARG 73 2HH2 ARG 73 4.277 2.546 -18.102 548 HH22 ARG 73 1HH2 ARG 73 2.692 3.196 -17.852 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -6.732 20.496 -7.105 2 HA2 GLY 1 1HA GLY 1 -8.286 22.064 -6.354 3 HA3 GLY 1 2HA GLY 1 -9.085 21.519 -7.821 4 H SER 2 H SER 2 -11.185 21.385 -7.358 5 HA SER 2 HA SER 2 -12.186 20.740 -4.773 6 HB2 SER 2 1HB SER 2 -13.602 20.850 -7.448 7 HB3 SER 2 2HB SER 2 -14.403 20.741 -5.881 8 HG SER 2 HG SER 2 -12.673 22.841 -6.695 9 H SER 3 H SER 3 -12.279 18.797 -3.888 10 HA SER 3 HA SER 3 -12.925 16.485 -5.571 11 HB2 SER 3 1HB SER 3 -10.630 16.593 -3.599 12 HB3 SER 3 2HB SER 3 -11.203 15.130 -4.400 13 HG SER 3 HG SER 3 -9.447 16.019 -5.523 14 H GLY 4 H GLY 4 -14.766 15.726 -4.766 15 HA2 GLY 4 1HA GLY 4 -15.531 14.328 -2.816 16 HA3 GLY 4 2HA GLY 4 -15.102 15.718 -1.831 17 H SER 5 H SER 5 -17.677 14.163 -2.781 18 HA SER 5 HA SER 5 -19.287 16.609 -3.021 19 HB2 SER 5 1HB SER 5 -19.737 14.075 -4.617 20 HB3 SER 5 2HB SER 5 -20.758 15.512 -4.650 21 HG SER 5 HG SER 5 -18.455 16.468 -5.167 22 H SER 6 H SER 6 -21.475 16.398 -2.271 23 HA SER 6 HA SER 6 -21.769 14.249 -0.279 24 HB2 SER 6 1HB SER 6 -23.222 15.799 0.966 25 HB3 SER 6 2HB SER 6 -21.624 16.496 0.703 26 HG SER 6 HG SER 6 -24.071 17.143 -0.530 27 H GLY 7 H GLY 7 -23.134 12.716 -0.904 28 HA2 GLY 7 1HA GLY 7 -25.825 13.277 -1.599 29 HA3 GLY 7 2HA GLY 7 -24.911 12.857 -3.040 30 H MET 8 H MET 8 -27.115 11.403 -1.892 31 HA MET 8 HA MET 8 -25.743 8.847 -1.432 32 HB2 MET 8 1HB MET 8 -26.659 9.837 0.709 33 HB3 MET 8 2HB MET 8 -28.265 9.646 0.020 34 HG2 MET 8 1HG MET 8 -27.879 7.791 1.436 35 HG3 MET 8 2HG MET 8 -27.783 7.210 -0.225 36 HE1 MET 8 3HE MET 8 -25.843 5.626 -0.962 37 HE2 MET 8 1HE MET 8 -24.949 4.929 0.389 38 HE3 MET 8 2HE MET 8 -26.707 5.050 0.464 39 H ALA 9 H ALA 9 -26.216 7.610 -3.120 40 HA ALA 9 HA ALA 9 -28.980 7.641 -4.148 41 HB1 ALA 9 3HB ALA 9 -27.951 8.501 -5.977 42 HB2 ALA 9 1HB ALA 9 -26.392 7.776 -5.580 43 HB3 ALA 9 2HB ALA 9 -27.664 6.792 -6.306 44 H SER 10 H SER 10 -29.947 5.695 -4.564 45 HA SER 10 HA SER 10 -28.384 3.244 -4.283 46 HB2 SER 10 1HB SER 10 -30.834 3.839 -2.606 47 HB3 SER 10 2HB SER 10 -29.978 2.298 -2.657 48 HG SER 10 HG SER 10 -28.329 4.410 -2.144 49 H GLY 11 H GLY 11 -29.987 1.290 -4.580 50 HA2 GLY 11 1HA GLY 11 -32.327 1.081 -5.735 51 HA3 GLY 11 2HA GLY 11 -31.466 1.881 -7.041 52 H GLN 12 H GLN 12 -32.618 -0.553 -7.482 53 HA GLN 12 HA GLN 12 -30.273 -2.172 -8.067 54 HB2 GLN 12 1HB GLN 12 -32.644 -3.239 -6.525 55 HB3 GLN 12 2HB GLN 12 -31.376 -4.237 -7.224 56 HG2 GLN 12 1HG GLN 12 -31.074 -2.197 -5.035 57 HG3 GLN 12 2HG GLN 12 -30.960 -3.950 -4.883 58 HE21 GLN 12 1HE2 GLN 12 -28.968 -2.173 -4.049 59 HE22 GLN 12 2HE2 GLN 12 -27.564 -2.430 -5.021 60 H PHE 13 H PHE 13 -30.432 -3.256 -9.964 61 HA PHE 13 HA PHE 13 -33.053 -3.241 -11.309 62 HB2 PHE 13 1HB PHE 13 -30.353 -2.784 -12.595 63 HB3 PHE 13 2HB PHE 13 -31.900 -2.829 -13.434 64 HD1 PHE 13 2HD PHE 13 -29.720 -0.885 -11.242 65 HD2 PHE 13 1HD PHE 13 -33.458 -0.989 -13.274 66 HE1 PHE 13 2HE PHE 13 -29.984 1.533 -10.873 67 HE2 PHE 13 1HE PHE 13 -33.728 1.429 -12.909 68 HZ PHE 13 HZ PHE 13 -31.990 2.693 -11.706 69 H VAL 14 H VAL 14 -32.941 -4.768 -13.315 70 HA VAL 14 HA VAL 14 -32.043 -7.358 -12.305 71 HB VAL 14 HB VAL 14 -33.455 -8.335 -14.049 72 HG11 VAL 14 1HG1 VAL 14 -34.625 -8.040 -12.060 73 HG12 VAL 14 2HG1 VAL 14 -34.646 -6.283 -12.219 74 HG13 VAL 14 3HG1 VAL 14 -35.668 -7.275 -13.260 75 HG21 VAL 14 3HG2 VAL 14 -33.752 -5.474 -14.886 76 HG22 VAL 14 1HG2 VAL 14 -33.364 -6.887 -15.866 77 HG23 VAL 14 2HG2 VAL 14 -35.003 -6.660 -15.258 78 H ASN 15 H ASN 15 -30.364 -8.434 -13.123 79 HA ASN 15 HA ASN 15 -29.552 -8.315 -15.832 80 HB2 ASN 15 1HB ASN 15 -27.639 -6.993 -15.789 81 HB3 ASN 15 2HB ASN 15 -28.743 -6.074 -14.770 82 HD21 ASN 15 1HD2 ASN 15 -28.652 -6.974 -12.384 83 HD22 ASN 15 2HD2 ASN 15 -27.053 -7.064 -11.735 84 H LYS 16 H LYS 16 -27.311 -9.385 -16.086 85 HA LYS 16 HA LYS 16 -27.389 -11.916 -14.918 86 HB2 LYS 16 1HB LYS 16 -25.164 -10.429 -16.309 87 HB3 LYS 16 2HB LYS 16 -25.001 -12.099 -15.781 88 HG2 LYS 16 1HG LYS 16 -27.137 -12.513 -17.160 89 HG3 LYS 16 2HG LYS 16 -26.763 -10.961 -17.913 90 HD2 LYS 16 1HD LYS 16 -24.778 -13.218 -17.728 91 HD3 LYS 16 2HD LYS 16 -25.872 -13.008 -19.098 92 HE2 LYS 16 1HE LYS 16 -24.943 -10.741 -19.439 93 HE3 LYS 16 2HE LYS 16 -23.800 -11.040 -18.130 94 HZ1 LYS 16 3HZ LYS 16 -22.820 -11.436 -20.315 95 HZ2 LYS 16 1HZ LYS 16 -23.981 -12.625 -20.636 96 HZ3 LYS 16 2HZ LYS 16 -22.856 -12.853 -19.393 97 H LEU 17 H LEU 17 -25.695 -12.935 -13.573 98 HA LEU 17 HA LEU 17 -25.535 -12.000 -11.046 99 HB2 LEU 17 1HB LEU 17 -24.806 -14.206 -11.534 100 HB3 LEU 17 2HB LEU 17 -23.511 -13.617 -12.575 101 HG LEU 17 HG LEU 17 -22.524 -12.586 -10.446 102 HD11 LEU 17 1HD1 LEU 17 -23.921 -12.696 -8.696 103 HD12 LEU 17 2HD1 LEU 17 -23.316 -14.344 -8.538 104 HD13 LEU 17 3HD1 LEU 17 -24.837 -14.040 -9.378 105 HD21 LEU 17 3HD2 LEU 17 -21.831 -15.052 -9.721 106 HD22 LEU 17 1HD2 LEU 17 -21.235 -14.298 -11.200 107 HD23 LEU 17 2HD2 LEU 17 -22.584 -15.433 -11.270 108 H GLN 18 H GLN 18 -24.180 -10.735 -9.804 109 HA GLN 18 HA GLN 18 -22.306 -9.026 -11.303 110 HB2 GLN 18 1HB GLN 18 -24.198 -8.367 -9.059 111 HB3 GLN 18 2HB GLN 18 -22.810 -7.347 -9.419 112 HG2 GLN 18 1HG GLN 18 -23.645 -6.752 -11.520 113 HG3 GLN 18 2HG GLN 18 -24.813 -8.073 -11.525 114 HE21 GLN 18 1HE2 GLN 18 -26.264 -7.936 -9.431 115 HE22 GLN 18 2HE2 GLN 18 -26.996 -6.390 -9.187 116 H GLU 19 H GLU 19 -20.593 -10.499 -10.839 117 HA GLU 19 HA GLU 19 -19.786 -10.615 -8.015 118 HB2 GLU 19 1HB GLU 19 -20.049 -12.743 -9.421 119 HB3 GLU 19 2HB GLU 19 -18.587 -12.233 -10.254 120 HG2 GLU 19 1HG GLU 19 -17.898 -13.752 -8.603 121 HG3 GLU 19 2HG GLU 19 -17.471 -12.153 -7.996 122 H GLU 20 H GLU 20 -19.425 -8.201 -9.363 123 HA GLU 20 HA GLU 20 -16.823 -7.957 -10.478 124 HB2 GLU 20 1HB GLU 20 -18.623 -5.853 -9.263 125 HB3 GLU 20 2HB GLU 20 -17.178 -5.525 -10.209 126 HG2 GLU 20 1HG GLU 20 -18.929 -5.242 -11.711 127 HG3 GLU 20 2HG GLU 20 -18.302 -6.849 -12.073 128 H VAL 21 H VAL 21 -15.310 -6.207 -9.417 129 HA VAL 21 HA VAL 21 -14.915 -6.981 -6.598 130 HB VAL 21 HB VAL 21 -13.210 -7.926 -8.159 131 HG11 VAL 21 1HG1 VAL 21 -12.984 -6.292 -9.833 132 HG12 VAL 21 2HG1 VAL 21 -12.688 -5.010 -8.658 133 HG13 VAL 21 3HG1 VAL 21 -11.463 -6.247 -8.942 134 HG21 VAL 21 3HG2 VAL 21 -11.508 -7.684 -6.642 135 HG22 VAL 21 1HG2 VAL 21 -11.786 -5.953 -6.442 136 HG23 VAL 21 2HG2 VAL 21 -12.872 -7.115 -5.679 137 H ILE 22 H ILE 22 -14.320 -5.407 -5.142 138 HA ILE 22 HA ILE 22 -14.322 -2.639 -6.155 139 HB ILE 22 HB ILE 22 -15.268 -3.316 -3.393 140 HG12 ILE 22 1HG1 ILE 22 -17.050 -3.201 -5.834 141 HG13 ILE 22 2HG1 ILE 22 -16.552 -4.696 -5.049 142 HG21 ILE 22 1HG2 ILE 22 -14.774 -0.982 -3.989 143 HG22 ILE 22 2HG2 ILE 22 -15.957 -1.078 -5.292 144 HG23 ILE 22 3HG2 ILE 22 -16.480 -1.227 -3.615 145 HD11 ILE 22 3HD1 ILE 22 -18.032 -4.459 -3.393 146 HD12 ILE 22 1HD1 ILE 22 -17.755 -2.724 -3.254 147 HD13 ILE 22 2HD1 ILE 22 -18.831 -3.347 -4.504 148 H CYS 23 H CYS 23 -13.101 -1.095 -4.923 149 HA CYS 23 HA CYS 23 -10.598 -2.157 -4.020 150 HB2 CYS 23 1HB CYS 23 -10.756 -0.047 -5.299 151 HB3 CYS 23 2HB CYS 23 -11.622 0.690 -3.955 152 HA PRO 24 HA PRO 24 -11.928 -2.598 0.215 153 HB2 PRO 24 1HB PRO 24 -9.548 -3.517 1.145 154 HB3 PRO 24 2HB PRO 24 -10.684 -4.530 0.245 155 HG2 PRO 24 1HG PRO 24 -8.227 -3.118 -0.722 156 HG3 PRO 24 2HG PRO 24 -8.792 -4.758 -1.088 157 HD2 PRO 24 1HD PRO 24 -9.144 -2.683 -2.791 158 HD3 PRO 24 2HD PRO 24 -10.302 -4.023 -2.666 159 H ILE 25 H ILE 25 -10.012 -0.284 -1.126 160 HA ILE 25 HA ILE 25 -9.060 0.810 1.417 161 HB ILE 25 HB ILE 25 -8.551 1.809 -1.388 162 HG12 ILE 25 1HG1 ILE 25 -6.590 0.379 0.397 163 HG13 ILE 25 2HG1 ILE 25 -7.624 -0.494 -0.728 164 HG21 ILE 25 1HG2 ILE 25 -6.767 3.130 -0.335 165 HG22 ILE 25 2HG2 ILE 25 -8.362 3.565 0.276 166 HG23 ILE 25 3HG2 ILE 25 -7.291 2.556 1.248 167 HD11 ILE 25 3HD1 ILE 25 -5.675 1.667 -1.492 168 HD12 ILE 25 1HD1 ILE 25 -5.382 -0.067 -1.624 169 HD13 ILE 25 2HD1 ILE 25 -6.649 0.689 -2.591 170 H CYS 26 H CYS 26 -10.795 1.962 -1.482 171 HA CYS 26 HA CYS 26 -12.058 4.028 0.184 172 HB2 CYS 26 1HB CYS 26 -12.652 5.081 -2.021 173 HB3 CYS 26 2HB CYS 26 -10.924 4.982 -1.699 174 H LEU 27 H LEU 27 -12.653 1.070 -1.342 175 HA LEU 27 HA LEU 27 -14.524 -0.217 -1.509 176 HB2 LEU 27 1HB LEU 27 -16.068 1.993 -0.185 177 HB3 LEU 27 2HB LEU 27 -16.429 0.269 -0.202 178 HG LEU 27 HG LEU 27 -14.069 1.485 1.227 179 HD11 LEU 27 1HD1 LEU 27 -15.337 1.200 3.273 180 HD12 LEU 27 2HD1 LEU 27 -16.726 0.617 2.357 181 HD13 LEU 27 3HD1 LEU 27 -16.186 2.286 2.174 182 HD21 LEU 27 3HD2 LEU 27 -15.173 -1.262 0.917 183 HD22 LEU 27 1HD2 LEU 27 -14.432 -0.814 2.453 184 HD23 LEU 27 2HD2 LEU 27 -13.496 -0.715 0.962 185 H ASP 28 H ASP 28 -13.769 1.534 -3.609 186 HA ASP 28 HA ASP 28 -16.389 2.228 -4.766 187 HB2 ASP 28 1HB ASP 28 -14.951 4.180 -4.541 188 HB3 ASP 28 2HB ASP 28 -13.652 3.353 -5.397 189 H ILE 29 H ILE 29 -16.934 1.469 -6.775 190 HA ILE 29 HA ILE 29 -16.147 -0.992 -7.621 191 HB ILE 29 HB ILE 29 -17.057 1.258 -9.420 192 HG12 ILE 29 1HG1 ILE 29 -18.598 0.815 -7.552 193 HG13 ILE 29 2HG1 ILE 29 -19.300 0.332 -9.092 194 HG21 ILE 29 1HG2 ILE 29 -16.792 -1.697 -9.834 195 HG22 ILE 29 2HG2 ILE 29 -17.971 -0.752 -10.742 196 HG23 ILE 29 3HG2 ILE 29 -16.253 -0.375 -10.870 197 HD11 ILE 29 3HD1 ILE 29 -17.910 -1.883 -7.946 198 HD12 ILE 29 1HD1 ILE 29 -19.022 -1.198 -6.761 199 HD13 ILE 29 2HD1 ILE 29 -19.622 -1.717 -8.336 200 H LEU 30 H LEU 30 -14.182 -1.715 -8.094 201 HA LEU 30 HA LEU 30 -12.020 -0.102 -8.900 202 HB2 LEU 30 1HB LEU 30 -12.539 -3.018 -8.691 203 HB3 LEU 30 2HB LEU 30 -11.154 -2.498 -9.648 204 HG LEU 30 HG LEU 30 -11.444 -1.434 -6.881 205 HD11 LEU 30 1HD1 LEU 30 -10.727 -3.334 -5.810 206 HD12 LEU 30 2HD1 LEU 30 -10.080 -4.054 -7.283 207 HD13 LEU 30 3HD1 LEU 30 -11.822 -4.017 -7.012 208 HD21 LEU 30 3HD2 LEU 30 -8.863 -2.073 -7.218 209 HD22 LEU 30 1HD2 LEU 30 -9.557 -0.540 -7.749 210 HD23 LEU 30 2HD2 LEU 30 -9.332 -1.854 -8.905 211 H GLN 31 H GLN 31 -12.649 1.097 -10.709 212 HA GLN 31 HA GLN 31 -13.689 -0.032 -13.080 213 HB2 GLN 31 1HB GLN 31 -12.476 2.584 -12.324 214 HB3 GLN 31 2HB GLN 31 -12.612 2.200 -14.035 215 HG2 GLN 31 1HG GLN 31 -14.555 3.375 -13.573 216 HG3 GLN 31 2HG GLN 31 -15.067 1.689 -13.531 217 HE21 GLN 31 1HE2 GLN 31 -13.736 4.144 -11.337 218 HE22 GLN 31 2HE2 GLN 31 -14.775 3.766 -10.010 219 H LYS 32 H LYS 32 -10.407 0.667 -11.996 220 HA LYS 32 HA LYS 32 -9.402 -0.986 -14.205 221 HB2 LYS 32 1HB LYS 32 -8.146 1.609 -13.293 222 HB3 LYS 32 2HB LYS 32 -7.517 0.537 -14.537 223 HG2 LYS 32 1HG LYS 32 -9.048 1.200 -16.085 224 HG3 LYS 32 2HG LYS 32 -10.275 1.579 -14.873 225 HD2 LYS 32 1HD LYS 32 -9.697 3.698 -15.492 226 HD3 LYS 32 2HD LYS 32 -8.511 3.443 -14.209 227 HE2 LYS 32 1HE LYS 32 -7.832 2.670 -17.010 228 HE3 LYS 32 2HE LYS 32 -7.774 4.369 -16.546 229 HZ1 LYS 32 3HZ LYS 32 -5.997 4.039 -15.207 230 HZ2 LYS 32 1HZ LYS 32 -5.711 2.760 -16.277 231 HZ3 LYS 32 2HZ LYS 32 -6.445 2.464 -14.782 232 HA PRO 33 HA PRO 33 -7.754 -2.624 -10.267 233 HB2 PRO 33 1HB PRO 33 -7.624 -5.187 -11.153 234 HB3 PRO 33 2HB PRO 33 -9.105 -4.466 -10.509 235 HG2 PRO 33 1HG PRO 33 -8.275 -4.863 -13.358 236 HG3 PRO 33 2HG PRO 33 -9.858 -5.135 -12.605 237 HD2 PRO 33 1HD PRO 33 -9.294 -2.918 -14.054 238 HD3 PRO 33 2HD PRO 33 -10.416 -2.900 -12.677 239 H VAL 34 H VAL 34 -5.663 -3.103 -9.732 240 HA VAL 34 HA VAL 34 -3.760 -3.533 -11.938 241 HB VAL 34 HB VAL 34 -3.324 -1.728 -9.553 242 HG11 VAL 34 1HG1 VAL 34 -1.237 -2.680 -10.033 243 HG12 VAL 34 2HG1 VAL 34 -1.519 -2.636 -11.774 244 HG13 VAL 34 3HG1 VAL 34 -1.227 -1.138 -10.889 245 HG21 VAL 34 3HG2 VAL 34 -3.532 0.106 -10.967 246 HG22 VAL 34 1HG2 VAL 34 -3.316 -0.868 -12.422 247 HG23 VAL 34 2HG2 VAL 34 -4.825 -0.963 -11.513 248 H THR 35 H THR 35 -3.465 -5.697 -11.557 249 HA THR 35 HA THR 35 -3.094 -6.814 -8.969 250 HB THR 35 HB THR 35 -2.315 -7.974 -11.652 251 HG1 THR 35 1HG THR 35 -4.355 -8.971 -11.539 252 HG21 THR 35 3HG2 THR 35 -2.798 -10.128 -10.238 253 HG22 THR 35 1HG2 THR 35 -2.422 -9.074 -8.875 254 HG23 THR 35 2HG2 THR 35 -1.224 -9.338 -10.143 255 H ILE 36 H ILE 36 -1.396 -6.390 -7.724 256 HA ILE 36 HA ILE 36 1.192 -5.792 -8.941 257 HB ILE 36 HB ILE 36 1.867 -5.252 -6.572 258 HG12 ILE 36 1HG1 ILE 36 -1.105 -5.523 -6.072 259 HG13 ILE 36 2HG1 ILE 36 0.123 -6.632 -5.473 260 HG21 ILE 36 1HG2 ILE 36 0.539 -3.134 -6.513 261 HG22 ILE 36 2HG2 ILE 36 1.310 -3.475 -8.061 262 HG23 ILE 36 3HG2 ILE 36 -0.417 -3.766 -7.854 263 HD11 ILE 36 3HD1 ILE 36 1.129 -4.774 -4.206 264 HD12 ILE 36 1HD1 ILE 36 -0.183 -3.729 -4.750 265 HD13 ILE 36 2HD1 ILE 36 -0.532 -5.123 -3.726 266 H ASP 37 H ASP 37 3.111 -6.635 -7.516 267 HA ASP 37 HA ASP 37 3.502 -9.291 -7.967 268 HB2 ASP 37 1HB ASP 37 5.099 -7.414 -7.029 269 HB3 ASP 37 2HB ASP 37 4.682 -8.131 -5.475 270 H CYS 38 H CYS 38 2.146 -7.833 -5.039 271 HA CYS 38 HA CYS 38 1.927 -10.209 -3.544 272 HB2 CYS 38 1HB CYS 38 0.825 -8.943 -1.971 273 HB3 CYS 38 2HB CYS 38 1.626 -7.667 -2.881 274 H GLY 39 H GLY 39 -0.087 -8.782 -6.013 275 HA2 GLY 39 1HA GLY 39 -1.486 -10.294 -7.311 276 HA3 GLY 39 2HA GLY 39 -1.865 -11.130 -5.812 277 H HIS 40 H HIS 40 -2.542 -9.124 -4.118 278 HA HIS 40 HA HIS 40 -5.184 -8.639 -4.588 279 HB2 HIS 40 1HB HIS 40 -3.301 -6.802 -3.094 280 HB3 HIS 40 2HB HIS 40 -5.053 -6.843 -2.920 281 HD2 HIS 40 2HD HIS 40 -5.233 -10.189 -2.673 282 HE1 HIS 40 1HE HIS 40 -2.865 -9.508 0.780 283 HE2 HIS 40 2HE HIS 40 -4.294 -11.163 -0.469 284 H ASN 41 H ASN 41 -6.421 -7.103 -5.579 285 HA ASN 41 HA ASN 41 -4.993 -5.298 -7.406 286 HB2 ASN 41 1HB ASN 41 -7.754 -6.512 -7.507 287 HB3 ASN 41 2HB ASN 41 -7.259 -5.201 -8.574 288 HD21 ASN 41 1HD2 ASN 41 -6.399 -8.465 -7.545 289 HD22 ASN 41 2HD2 ASN 41 -5.709 -8.950 -9.053 290 H PHE 42 H PHE 42 -5.205 -3.144 -7.256 291 HA PHE 42 HA PHE 42 -7.202 -2.090 -5.363 292 HB2 PHE 42 1HB PHE 42 -4.356 -1.179 -5.817 293 HB3 PHE 42 2HB PHE 42 -5.540 -0.261 -4.891 294 HD1 PHE 42 1HD PHE 42 -6.641 -1.475 -2.899 295 HD2 PHE 42 2HD PHE 42 -3.040 -2.763 -4.768 296 HE1 PHE 42 1HE PHE 42 -6.055 -2.755 -0.881 297 HE2 PHE 42 2HE PHE 42 -2.449 -4.045 -2.753 298 HZ PHE 42 HZ PHE 42 -3.958 -4.043 -0.806 299 H CYS 43 H CYS 43 -7.446 0.391 -5.725 300 HA CYS 43 HA CYS 43 -8.012 0.750 -8.576 301 HB2 CYS 43 1HB CYS 43 -9.762 2.116 -7.987 302 HB3 CYS 43 2HB CYS 43 -9.698 1.085 -6.562 303 H LEU 44 H LEU 44 -7.061 2.283 -9.792 304 HA LEU 44 HA LEU 44 -4.620 3.341 -9.285 305 HB2 LEU 44 1HB LEU 44 -5.783 3.405 -11.460 306 HB3 LEU 44 2HB LEU 44 -6.789 4.722 -10.860 307 HG LEU 44 HG LEU 44 -4.656 6.051 -10.574 308 HD11 LEU 44 1HD1 LEU 44 -3.580 3.542 -11.647 309 HD12 LEU 44 2HD1 LEU 44 -2.798 4.800 -10.691 310 HD13 LEU 44 3HD1 LEU 44 -2.983 5.003 -12.433 311 HD21 LEU 44 3HD2 LEU 44 -5.252 5.209 -13.403 312 HD22 LEU 44 1HD2 LEU 44 -4.638 6.765 -12.845 313 HD23 LEU 44 2HD2 LEU 44 -6.290 6.280 -12.461 314 H LYS 45 H LYS 45 -7.649 5.189 -8.905 315 HA LYS 45 HA LYS 45 -6.762 7.528 -7.894 316 HB2 LYS 45 1HB LYS 45 -9.082 5.964 -6.747 317 HB3 LYS 45 2HB LYS 45 -8.841 7.701 -6.617 318 HG2 LYS 45 1HG LYS 45 -8.932 6.510 -9.334 319 HG3 LYS 45 2HG LYS 45 -10.441 6.643 -8.428 320 HD2 LYS 45 1HD LYS 45 -10.205 9.003 -8.227 321 HD3 LYS 45 2HD LYS 45 -8.548 8.952 -8.834 322 HE2 LYS 45 1HE LYS 45 -9.347 8.248 -11.016 323 HE3 LYS 45 2HE LYS 45 -11.005 8.205 -10.418 324 HZ1 LYS 45 3HZ LYS 45 -10.260 10.254 -11.707 325 HZ2 LYS 45 1HZ LYS 45 -9.401 10.683 -10.314 326 HZ3 LYS 45 2HZ LYS 45 -11.082 10.510 -10.251 327 H CYS 46 H CYS 46 -6.765 4.446 -6.242 328 HA CYS 46 HA CYS 46 -5.922 5.649 -3.730 329 HB2 CYS 46 1HB CYS 46 -6.831 2.962 -4.610 330 HB3 CYS 46 2HB CYS 46 -5.706 3.012 -3.256 331 H ILE 47 H ILE 47 -4.649 2.899 -5.608 332 HA ILE 47 HA ILE 47 -2.176 2.634 -4.620 333 HB ILE 47 HB ILE 47 -2.889 2.644 -7.552 334 HG12 ILE 47 1HG1 ILE 47 -2.497 0.327 -5.649 335 HG13 ILE 47 2HG1 ILE 47 -4.068 1.022 -6.034 336 HG21 ILE 47 1HG2 ILE 47 -0.401 1.650 -6.173 337 HG22 ILE 47 2HG2 ILE 47 -0.843 1.261 -7.835 338 HG23 ILE 47 3HG2 ILE 47 -0.513 2.932 -7.378 339 HD11 ILE 47 3HD1 ILE 47 -2.660 0.396 -8.447 340 HD12 ILE 47 1HD1 ILE 47 -2.714 -1.013 -7.387 341 HD13 ILE 47 2HD1 ILE 47 -4.210 -0.209 -7.863 342 H THR 48 H THR 48 -3.131 5.148 -6.926 343 HA THR 48 HA THR 48 -0.532 6.296 -7.139 344 HB THR 48 HB THR 48 -3.252 7.433 -7.805 345 HG1 THR 48 1HG THR 48 -2.848 6.680 -9.801 346 HG21 THR 48 3HG2 THR 48 -1.312 8.751 -9.306 347 HG22 THR 48 1HG2 THR 48 -0.658 8.711 -7.669 348 HG23 THR 48 2HG2 THR 48 -2.245 9.420 -7.968 349 H GLN 49 H GLN 49 -3.500 7.464 -5.533 350 HA GLN 49 HA GLN 49 -2.538 9.701 -4.302 351 HB2 GLN 49 1HB GLN 49 -4.867 9.117 -4.149 352 HB3 GLN 49 2HB GLN 49 -4.493 7.665 -3.231 353 HG2 GLN 49 1HG GLN 49 -5.343 9.295 -1.724 354 HG3 GLN 49 2HG GLN 49 -3.617 9.113 -1.413 355 HE21 GLN 49 1HE2 GLN 49 -5.827 11.058 -3.393 356 HE22 GLN 49 2HE2 GLN 49 -4.987 12.551 -3.169 357 H ILE 50 H ILE 50 -2.412 6.393 -2.996 358 HA ILE 50 HA ILE 50 -1.229 6.857 -0.567 359 HB ILE 50 HB ILE 50 -0.618 4.575 -2.450 360 HG12 ILE 50 1HG1 ILE 50 -2.471 4.402 -0.108 361 HG13 ILE 50 2HG1 ILE 50 -3.051 5.137 -1.599 362 HG21 ILE 50 1HG2 ILE 50 0.112 3.349 -0.502 363 HG22 ILE 50 2HG2 ILE 50 1.043 4.839 -0.643 364 HG23 ILE 50 3HG2 ILE 50 -0.260 4.723 0.540 365 HD11 ILE 50 3HD1 ILE 50 -1.766 2.434 -1.591 366 HD12 ILE 50 1HD1 ILE 50 -3.479 2.648 -1.232 367 HD13 ILE 50 2HD1 ILE 50 -2.836 3.152 -2.795 368 H GLY 51 H GLY 51 0.396 6.505 -3.708 369 HA2 GLY 51 1HA GLY 51 3.030 6.768 -2.697 370 HA3 GLY 51 2HA GLY 51 2.541 6.995 -4.369 371 H GLU 52 H GLU 52 2.812 8.583 -1.232 372 HA GLU 52 HA GLU 52 2.182 11.187 -2.192 373 HB2 GLU 52 1HB GLU 52 3.724 10.379 0.280 374 HB3 GLU 52 2HB GLU 52 3.044 11.969 -0.033 375 HG2 GLU 52 1HG GLU 52 0.811 10.609 -0.271 376 HG3 GLU 52 2HG GLU 52 1.684 9.436 0.714 377 H THR 53 H THR 53 3.438 12.713 -3.083 378 HA THR 53 HA THR 53 5.219 13.327 -4.456 379 HB THR 53 HB THR 53 5.424 14.488 -2.227 380 HG1 THR 53 1HG THR 53 7.087 15.489 -3.089 381 HG21 THR 53 3HG2 THR 53 6.272 13.326 -0.521 382 HG22 THR 53 1HG2 THR 53 7.842 13.414 -1.319 383 HG23 THR 53 2HG2 THR 53 6.790 12.025 -1.593 384 H SER 54 H SER 54 5.058 10.646 -4.805 385 HA SER 54 HA SER 54 7.787 9.952 -5.348 386 HB2 SER 54 1HB SER 54 7.755 7.812 -4.083 387 HB3 SER 54 2HB SER 54 7.708 9.224 -3.028 388 HG SER 54 HG SER 54 6.180 7.580 -2.453 389 H CYS 55 H CYS 55 7.801 7.537 -6.190 390 HA CYS 55 HA CYS 55 5.403 6.523 -7.317 391 HB2 CYS 55 1HB CYS 55 5.874 8.596 -8.731 392 HB3 CYS 55 2HB CYS 55 7.282 7.736 -9.340 393 HG CYS 55 HG CYS 55 4.008 6.833 -9.741 394 H GLY 56 H GLY 56 5.708 4.406 -7.513 395 HA2 GLY 56 1HA GLY 56 6.778 2.459 -8.286 396 HA3 GLY 56 2HA GLY 56 8.254 3.385 -8.509 397 H PHE 57 H PHE 57 6.283 3.258 -5.586 398 HA PHE 57 HA PHE 57 7.789 1.317 -4.217 399 HB2 PHE 57 1HB PHE 57 9.350 3.468 -4.530 400 HB3 PHE 57 2HB PHE 57 8.486 3.975 -3.082 401 HD1 PHE 57 2HD PHE 57 10.123 0.877 -4.375 402 HD2 PHE 57 1HD PHE 57 9.521 3.522 -1.095 403 HE1 PHE 57 2HE PHE 57 11.637 -0.490 -3.000 404 HE2 PHE 57 1HE PHE 57 11.035 2.159 0.286 405 HZ PHE 57 HZ PHE 57 12.094 0.150 -0.666 406 H PHE 58 H PHE 58 6.048 0.585 -3.161 407 HA PHE 58 HA PHE 58 5.002 2.017 -0.955 408 HB2 PHE 58 1HB PHE 58 2.843 2.588 -1.640 409 HB3 PHE 58 2HB PHE 58 3.830 3.054 -3.021 410 HD1 PHE 58 1HD PHE 58 4.242 0.820 -4.618 411 HD2 PHE 58 2HD PHE 58 0.824 1.707 -2.241 412 HE1 PHE 58 1HE PHE 58 2.860 -0.593 -6.084 413 HE2 PHE 58 2HE PHE 58 -0.563 0.295 -3.703 414 HZ PHE 58 HZ PHE 58 0.455 -0.858 -5.626 415 H LYS 59 H LYS 59 4.350 0.578 0.512 416 HA LYS 59 HA LYS 59 4.220 -2.212 -0.216 417 HB2 LYS 59 1HB LYS 59 4.072 -2.630 2.174 418 HB3 LYS 59 2HB LYS 59 5.360 -1.479 1.845 419 HG2 LYS 59 1HG LYS 59 4.192 0.291 2.766 420 HG3 LYS 59 2HG LYS 59 2.630 -0.509 2.578 421 HD2 LYS 59 1HD LYS 59 3.123 -0.578 4.889 422 HD3 LYS 59 2HD LYS 59 3.446 -2.202 4.278 423 HE2 LYS 59 1HE LYS 59 5.612 -0.134 4.494 424 HE3 LYS 59 2HE LYS 59 5.163 -1.149 5.864 425 HZ1 LYS 59 3HZ LYS 59 5.551 -2.684 3.493 426 HZ2 LYS 59 1HZ LYS 59 6.275 -2.854 5.013 427 HZ3 LYS 59 2HZ LYS 59 6.933 -1.788 3.876 428 H CYS 60 H CYS 60 2.453 -3.534 -0.189 429 HA CYS 60 HA CYS 60 -0.071 -2.421 -0.715 430 HB2 CYS 60 1HB CYS 60 0.502 -4.599 -1.580 431 HB3 CYS 60 2HB CYS 60 0.724 -5.236 0.046 432 HA PRO 61 HA PRO 61 -1.606 -1.620 3.343 433 HB2 PRO 61 1HB PRO 61 -4.243 -1.438 2.722 434 HB3 PRO 61 2HB PRO 61 -3.073 -0.172 2.328 435 HG2 PRO 61 1HG PRO 61 -4.194 -2.327 0.578 436 HG3 PRO 61 2HG PRO 61 -3.922 -0.615 0.209 437 HD2 PRO 61 1HD PRO 61 -2.226 -2.566 -0.596 438 HD3 PRO 61 2HD PRO 61 -1.673 -0.928 -0.191 439 H LEU 62 H LEU 62 -3.309 -4.042 1.368 440 HA LEU 62 HA LEU 62 -4.587 -5.341 3.522 441 HB2 LEU 62 1HB LEU 62 -3.830 -6.354 0.787 442 HB3 LEU 62 2HB LEU 62 -4.870 -7.218 1.918 443 HG LEU 62 HG LEU 62 -5.503 -4.509 0.752 444 HD11 LEU 62 1HD1 LEU 62 -6.247 -7.282 -0.121 445 HD12 LEU 62 2HD1 LEU 62 -5.577 -5.963 -1.081 446 HD13 LEU 62 3HD1 LEU 62 -7.244 -5.880 -0.510 447 HD21 LEU 62 3HD2 LEU 62 -7.162 -4.444 2.221 448 HD22 LEU 62 1HD2 LEU 62 -6.567 -5.937 2.947 449 HD23 LEU 62 2HD2 LEU 62 -7.758 -6.003 1.648 450 H CYS 63 H CYS 63 -1.610 -6.121 1.737 451 HA CYS 63 HA CYS 63 -0.791 -7.788 4.025 452 HB2 CYS 63 1HB CYS 63 0.350 -9.290 2.495 453 HB3 CYS 63 2HB CYS 63 -1.344 -9.159 2.035 454 H LYS 64 H LYS 64 0.960 -7.064 5.018 455 HA LYS 64 HA LYS 64 2.509 -4.912 3.933 456 HB2 LYS 64 1HB LYS 64 2.589 -6.502 6.476 457 HB3 LYS 64 2HB LYS 64 3.916 -5.424 6.066 458 HG2 LYS 64 1HG LYS 64 2.495 -4.180 7.454 459 HG3 LYS 64 2HG LYS 64 2.177 -3.601 5.817 460 HD2 LYS 64 1HD LYS 64 0.172 -4.928 5.683 461 HD3 LYS 64 2HD LYS 64 0.522 -5.683 7.240 462 HE2 LYS 64 1HE LYS 64 -1.010 -4.076 7.847 463 HE3 LYS 64 2HE LYS 64 0.511 -3.225 8.113 464 HZ1 LYS 64 3HZ LYS 64 -0.335 -1.656 6.805 465 HZ2 LYS 64 1HZ LYS 64 -1.597 -2.647 6.266 466 HZ3 LYS 64 2HZ LYS 64 -0.087 -2.711 5.506 467 H THR 65 H THR 65 3.327 -5.920 2.009 468 HA THR 65 HA THR 65 5.619 -7.698 2.540 469 HB THR 65 HB THR 65 3.852 -8.900 1.325 470 HG1 THR 65 1HG THR 65 6.271 -8.286 -0.018 471 HG21 THR 65 3HG2 THR 65 3.967 -7.834 -1.248 472 HG22 THR 65 1HG2 THR 65 3.762 -6.438 -0.191 473 HG23 THR 65 2HG2 THR 65 2.601 -7.764 -0.134 474 H SER 66 H SER 66 7.516 -7.326 1.386 475 HA SER 66 HA SER 66 7.888 -4.596 0.533 476 HB2 SER 66 1HB SER 66 9.806 -6.930 0.711 477 HB3 SER 66 2HB SER 66 10.276 -5.291 0.262 478 HG SER 66 HG SER 66 10.391 -6.055 2.600 479 H VAL 67 H VAL 67 7.581 -3.915 -1.471 480 HA VAL 67 HA VAL 67 8.159 -5.745 -3.700 481 HB VAL 67 HB VAL 67 5.776 -3.892 -3.575 482 HG11 VAL 67 1HG1 VAL 67 5.159 -5.209 -5.671 483 HG12 VAL 67 2HG1 VAL 67 6.444 -4.009 -5.823 484 HG13 VAL 67 3HG1 VAL 67 6.846 -5.723 -5.702 485 HG21 VAL 67 3HG2 VAL 67 6.141 -6.604 -2.668 486 HG22 VAL 67 1HG2 VAL 67 4.746 -5.539 -2.492 487 HG23 VAL 67 2HG2 VAL 67 4.926 -6.525 -3.944 488 H ARG 68 H ARG 68 8.887 -4.771 -5.612 489 HA ARG 68 HA ARG 68 9.551 -1.910 -5.407 490 HB2 ARG 68 1HB ARG 68 11.322 -4.201 -6.238 491 HB3 ARG 68 2HB ARG 68 11.669 -2.541 -6.704 492 HG2 ARG 68 1HG ARG 68 12.920 -2.658 -4.817 493 HG3 ARG 68 2HG ARG 68 11.392 -2.140 -4.103 494 HD2 ARG 68 1HD ARG 68 10.885 -4.623 -3.809 495 HD3 ARG 68 2HD ARG 68 12.589 -4.895 -4.168 496 HE ARG 68 HE ARG 68 12.072 -2.990 -2.057 497 HH11 ARG 68 2HH1 ARG 68 12.681 -6.316 -2.888 498 HH12 ARG 68 1HH1 ARG 68 13.257 -6.741 -1.310 499 HH21 ARG 68 2HH2 ARG 68 12.828 -3.538 0.025 500 HH22 ARG 68 1HH2 ARG 68 13.339 -5.160 0.346 501 H LYS 69 H LYS 69 8.462 -0.875 -6.935 502 HA LYS 69 HA LYS 69 7.177 -1.971 -9.119 503 HB2 LYS 69 1HB LYS 69 7.073 0.424 -8.075 504 HB3 LYS 69 2HB LYS 69 8.301 0.804 -9.275 505 HG2 LYS 69 1HG LYS 69 6.382 1.381 -10.386 506 HG3 LYS 69 2HG LYS 69 6.615 -0.279 -10.939 507 HD2 LYS 69 1HD LYS 69 4.336 -0.131 -10.371 508 HD3 LYS 69 2HD LYS 69 5.096 -0.964 -9.013 509 HE2 LYS 69 1HE LYS 69 3.565 0.689 -8.167 510 HE3 LYS 69 2HE LYS 69 5.215 1.199 -7.813 511 HZ1 LYS 69 3HZ LYS 69 4.978 3.020 -9.048 512 HZ2 LYS 69 1HZ LYS 69 3.315 2.712 -9.022 513 HZ3 LYS 69 2HZ LYS 69 4.251 2.185 -10.327 514 H ASN 70 H ASN 70 7.975 -3.028 -10.803 515 HA ASN 70 HA ASN 70 10.629 -2.266 -11.821 516 HB2 ASN 70 1HB ASN 70 10.643 -4.546 -11.093 517 HB3 ASN 70 2HB ASN 70 9.134 -4.888 -11.935 518 HD21 ASN 70 1HD2 ASN 70 10.107 -6.595 -13.046 519 HD22 ASN 70 2HD2 ASN 70 11.192 -6.321 -14.362 520 H ALA 71 H ALA 71 7.618 -3.716 -13.077 521 HA ALA 71 HA ALA 71 7.578 -1.751 -15.228 522 HB1 ALA 71 3HB ALA 71 8.269 -4.587 -15.593 523 HB2 ALA 71 1HB ALA 71 7.062 -3.950 -16.710 524 HB3 ALA 71 2HB ALA 71 8.647 -3.184 -16.594 525 H ILE 72 H ILE 72 5.584 -2.371 -16.727 526 HA ILE 72 HA ILE 72 3.339 -2.896 -14.896 527 HB ILE 72 HB ILE 72 3.363 -1.274 -17.444 528 HG12 ILE 72 1HG1 ILE 72 2.655 0.501 -15.613 529 HG13 ILE 72 2HG1 ILE 72 3.525 -0.588 -14.539 530 HG21 ILE 72 1HG2 ILE 72 1.095 -0.913 -17.213 531 HG22 ILE 72 2HG2 ILE 72 1.245 -2.603 -16.733 532 HG23 ILE 72 3HG2 ILE 72 1.093 -1.348 -15.504 533 HD11 ILE 72 3HD1 ILE 72 4.565 1.015 -16.837 534 HD12 ILE 72 1HD1 ILE 72 5.115 0.978 -15.162 535 HD13 ILE 72 2HD1 ILE 72 5.442 -0.388 -16.229 536 H ARG 73 H ARG 73 2.603 -4.902 -15.138 537 HA ARG 73 HA ARG 73 2.288 -5.945 -17.877 538 HB2 ARG 73 1HB ARG 73 2.540 -8.227 -16.846 539 HB3 ARG 73 2HB ARG 73 3.997 -7.244 -16.841 540 HG2 ARG 73 1HG ARG 73 2.249 -7.152 -14.445 541 HG3 ARG 73 2HG ARG 73 3.220 -8.600 -14.717 542 HD2 ARG 73 1HD ARG 73 5.228 -7.167 -14.905 543 HD3 ARG 73 2HD ARG 73 4.230 -5.765 -14.524 544 HE ARG 73 HE ARG 73 3.752 -7.354 -12.428 545 HH11 ARG 73 2HH1 ARG 73 6.723 -6.412 -13.978 546 HH12 ARG 73 1HH1 ARG 73 7.665 -6.516 -12.527 547 HH21 ARG 73 2HH2 ARG 73 4.981 -7.494 -10.511 548 HH22 ARG 73 1HH2 ARG 73 6.673 -7.132 -10.556 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -76.086 -18.769 -28.986 2 HA2 GLY 1 1HA GLY 1 -75.013 -20.665 -27.461 3 HA3 GLY 1 2HA GLY 1 -74.142 -20.940 -28.963 4 H SER 2 H SER 2 -72.735 -20.331 -26.720 5 HA SER 2 HA SER 2 -71.246 -18.073 -27.531 6 HB2 SER 2 1HB SER 2 -73.256 -16.951 -26.481 7 HB3 SER 2 2HB SER 2 -72.753 -17.654 -24.944 8 HG SER 2 HG SER 2 -71.865 -15.436 -26.115 9 H SER 3 H SER 3 -69.248 -18.038 -26.584 10 HA SER 3 HA SER 3 -68.681 -19.314 -24.092 11 HB2 SER 3 1HB SER 3 -68.948 -21.175 -25.951 12 HB3 SER 3 2HB SER 3 -67.311 -20.675 -26.377 13 HG SER 3 HG SER 3 -68.250 -21.762 -23.944 14 H GLY 4 H GLY 4 -66.183 -19.535 -23.846 15 HA2 GLY 4 1HA GLY 4 -64.623 -17.736 -25.479 16 HA3 GLY 4 2HA GLY 4 -64.990 -17.101 -23.881 17 H SER 5 H SER 5 -62.424 -17.908 -25.156 18 HA SER 5 HA SER 5 -61.410 -19.420 -22.898 19 HB2 SER 5 1HB SER 5 -61.566 -20.515 -25.667 20 HB3 SER 5 2HB SER 5 -60.107 -20.850 -24.734 21 HG SER 5 HG SER 5 -62.585 -21.918 -24.495 22 H SER 6 H SER 6 -59.139 -19.262 -22.643 23 HA SER 6 HA SER 6 -57.613 -17.667 -24.516 24 HB2 SER 6 1HB SER 6 -58.949 -16.156 -22.808 25 HB3 SER 6 2HB SER 6 -57.643 -16.616 -21.715 26 HG SER 6 HG SER 6 -57.121 -14.713 -22.831 27 H GLY 7 H GLY 7 -55.342 -17.221 -23.470 28 HA2 GLY 7 1HA GLY 7 -54.439 -19.058 -21.482 29 HA3 GLY 7 2HA GLY 7 -54.055 -19.632 -23.098 30 H MET 8 H MET 8 -52.144 -18.972 -21.112 31 HA MET 8 HA MET 8 -50.560 -17.095 -22.625 32 HB2 MET 8 1HB MET 8 -51.588 -16.456 -19.878 33 HB3 MET 8 2HB MET 8 -50.041 -15.819 -20.422 34 HG2 MET 8 1HG MET 8 -52.719 -15.366 -21.717 35 HG3 MET 8 2HG MET 8 -51.793 -14.199 -20.775 36 HE1 MET 8 3HE MET 8 -48.767 -13.418 -22.755 37 HE2 MET 8 1HE MET 8 -50.106 -12.306 -22.466 38 HE3 MET 8 2HE MET 8 -49.628 -13.455 -21.216 39 H ALA 9 H ALA 9 -48.508 -17.753 -22.632 40 HA ALA 9 HA ALA 9 -47.666 -19.667 -20.558 41 HB1 ALA 9 3HB ALA 9 -46.485 -19.340 -23.310 42 HB2 ALA 9 1HB ALA 9 -46.165 -20.630 -22.150 43 HB3 ALA 9 2HB ALA 9 -47.753 -20.498 -22.908 44 H SER 10 H SER 10 -46.670 -18.477 -19.023 45 HA SER 10 HA SER 10 -44.263 -17.023 -19.827 46 HB2 SER 10 1HB SER 10 -44.792 -15.045 -18.665 47 HB3 SER 10 2HB SER 10 -46.284 -15.449 -19.514 48 HG SER 10 HG SER 10 -46.549 -14.889 -17.258 49 H GLY 11 H GLY 11 -42.598 -17.130 -18.368 50 HA2 GLY 11 1HA GLY 11 -42.889 -17.824 -15.640 51 HA3 GLY 11 2HA GLY 11 -42.504 -19.261 -16.575 52 H GLN 12 H GLN 12 -41.361 -16.109 -15.549 53 HA GLN 12 HA GLN 12 -38.616 -17.028 -16.038 54 HB2 GLN 12 1HB GLN 12 -39.714 -14.294 -16.707 55 HB3 GLN 12 2HB GLN 12 -38.006 -14.711 -16.722 56 HG2 GLN 12 1HG GLN 12 -38.475 -16.412 -18.449 57 HG3 GLN 12 2HG GLN 12 -40.154 -15.876 -18.476 58 HE21 GLN 12 1HE2 GLN 12 -40.627 -14.506 -20.024 59 HE22 GLN 12 2HE2 GLN 12 -39.538 -13.396 -20.778 60 H PHE 13 H PHE 13 -37.924 -17.326 -14.006 61 HA PHE 13 HA PHE 13 -38.239 -15.083 -12.122 62 HB2 PHE 13 1HB PHE 13 -38.052 -18.002 -11.363 63 HB3 PHE 13 2HB PHE 13 -38.375 -16.645 -10.290 64 HD1 PHE 13 1HD PHE 13 -40.536 -15.417 -10.488 65 HD2 PHE 13 2HD PHE 13 -39.782 -19.057 -12.562 66 HE1 PHE 13 1HE PHE 13 -42.953 -15.714 -10.838 67 HE2 PHE 13 2HE PHE 13 -42.197 -19.359 -12.916 68 HZ PHE 13 HZ PHE 13 -43.787 -17.687 -12.054 69 H VAL 14 H VAL 14 -36.241 -14.204 -12.773 70 HA VAL 14 HA VAL 14 -33.906 -15.722 -11.811 71 HB VAL 14 HB VAL 14 -32.548 -14.524 -13.533 72 HG11 VAL 14 1HG1 VAL 14 -34.097 -15.872 -15.427 73 HG12 VAL 14 2HG1 VAL 14 -32.734 -16.514 -14.507 74 HG13 VAL 14 3HG1 VAL 14 -34.380 -16.714 -13.904 75 HG21 VAL 14 3HG2 VAL 14 -33.410 -12.995 -14.916 76 HG22 VAL 14 1HG2 VAL 14 -34.804 -14.007 -15.293 77 HG23 VAL 14 2HG2 VAL 14 -34.818 -12.987 -13.854 78 H ASN 15 H ASN 15 -33.993 -14.689 -9.795 79 HA ASN 15 HA ASN 15 -33.566 -11.782 -9.806 80 HB2 ASN 15 1HB ASN 15 -34.158 -11.866 -7.414 81 HB3 ASN 15 2HB ASN 15 -35.435 -12.539 -8.423 82 HD21 ASN 15 1HD2 ASN 15 -33.709 -12.984 -5.674 83 HD22 ASN 15 2HD2 ASN 15 -33.923 -14.686 -5.467 84 H LYS 16 H LYS 16 -31.367 -11.817 -10.352 85 HA LYS 16 HA LYS 16 -29.614 -12.669 -8.151 86 HB2 LYS 16 1HB LYS 16 -29.439 -13.363 -11.038 87 HB3 LYS 16 2HB LYS 16 -27.932 -13.008 -10.203 88 HG2 LYS 16 1HG LYS 16 -28.026 -15.245 -9.850 89 HG3 LYS 16 2HG LYS 16 -28.935 -14.704 -8.437 90 HD2 LYS 16 1HD LYS 16 -30.331 -16.336 -9.264 91 HD3 LYS 16 2HD LYS 16 -30.985 -14.901 -10.055 92 HE2 LYS 16 1HE LYS 16 -29.345 -15.492 -11.962 93 HE3 LYS 16 2HE LYS 16 -29.278 -17.082 -11.203 94 HZ1 LYS 16 3HZ LYS 16 -31.457 -15.807 -12.654 95 HZ2 LYS 16 1HZ LYS 16 -31.895 -16.741 -11.313 96 HZ3 LYS 16 2HZ LYS 16 -31.014 -17.438 -12.578 97 H LEU 17 H LEU 17 -27.334 -11.662 -8.520 98 HA LEU 17 HA LEU 17 -27.672 -8.886 -9.448 99 HB2 LEU 17 1HB LEU 17 -26.233 -8.155 -7.621 100 HB3 LEU 17 2HB LEU 17 -27.690 -8.948 -7.025 101 HG LEU 17 HG LEU 17 -26.056 -11.043 -6.951 102 HD11 LEU 17 1HD1 LEU 17 -23.825 -10.568 -6.566 103 HD12 LEU 17 2HD1 LEU 17 -24.138 -8.866 -6.230 104 HD13 LEU 17 3HD1 LEU 17 -24.226 -9.468 -7.885 105 HD21 LEU 17 3HD2 LEU 17 -26.113 -8.859 -4.871 106 HD22 LEU 17 1HD2 LEU 17 -25.679 -10.546 -4.595 107 HD23 LEU 17 2HD2 LEU 17 -27.324 -10.127 -5.073 108 H GLN 18 H GLN 18 -25.406 -7.804 -9.623 109 HA GLN 18 HA GLN 18 -23.688 -9.661 -11.126 110 HB2 GLN 18 1HB GLN 18 -23.957 -6.660 -11.374 111 HB3 GLN 18 2HB GLN 18 -22.877 -7.666 -12.331 112 HG2 GLN 18 1HG GLN 18 -24.611 -7.471 -13.782 113 HG3 GLN 18 2HG GLN 18 -25.111 -8.923 -12.917 114 HE21 GLN 18 1HE2 GLN 18 -27.030 -7.644 -14.197 115 HE22 GLN 18 2HE2 GLN 18 -28.050 -6.766 -13.114 116 H GLU 19 H GLU 19 -22.540 -10.354 -9.267 117 HA GLU 19 HA GLU 19 -21.311 -8.717 -7.384 118 HB2 GLU 19 1HB GLU 19 -19.774 -10.619 -6.993 119 HB3 GLU 19 2HB GLU 19 -21.462 -11.108 -7.059 120 HG2 GLU 19 1HG GLU 19 -20.549 -12.736 -8.344 121 HG3 GLU 19 2HG GLU 19 -20.880 -11.537 -9.593 122 H GLU 20 H GLU 20 -19.939 -7.108 -7.733 123 HA GLU 20 HA GLU 20 -17.860 -7.461 -9.792 124 HB2 GLU 20 1HB GLU 20 -19.243 -4.906 -8.957 125 HB3 GLU 20 2HB GLU 20 -17.898 -5.000 -10.085 126 HG2 GLU 20 1HG GLU 20 -19.497 -6.668 -11.338 127 HG3 GLU 20 2HG GLU 20 -20.738 -5.789 -10.447 128 H VAL 21 H VAL 21 -15.804 -7.245 -9.158 129 HA VAL 21 HA VAL 21 -15.063 -7.202 -6.478 130 HB VAL 21 HB VAL 21 -13.664 -7.979 -8.444 131 HG11 VAL 21 1HG1 VAL 21 -12.709 -5.135 -8.565 132 HG12 VAL 21 2HG1 VAL 21 -12.358 -6.466 -9.669 133 HG13 VAL 21 3HG1 VAL 21 -13.967 -5.743 -9.641 134 HG21 VAL 21 3HG2 VAL 21 -12.017 -6.179 -6.728 135 HG22 VAL 21 1HG2 VAL 21 -12.942 -7.479 -5.975 136 HG23 VAL 21 2HG2 VAL 21 -11.732 -7.854 -7.202 137 H ILE 22 H ILE 22 -14.645 -5.644 -5.029 138 HA ILE 22 HA ILE 22 -14.791 -2.851 -5.955 139 HB ILE 22 HB ILE 22 -15.408 -3.827 -3.170 140 HG12 ILE 22 1HG1 ILE 22 -17.421 -3.089 -5.295 141 HG13 ILE 22 2HG1 ILE 22 -16.945 -4.751 -4.966 142 HG21 ILE 22 1HG2 ILE 22 -15.929 -1.221 -4.592 143 HG22 ILE 22 2HG2 ILE 22 -16.529 -1.630 -2.985 144 HG23 ILE 22 3HG2 ILE 22 -14.794 -1.498 -3.271 145 HD11 ILE 22 3HD1 ILE 22 -17.978 -4.776 -2.908 146 HD12 ILE 22 1HD1 ILE 22 -17.951 -3.019 -2.756 147 HD13 ILE 22 2HD1 ILE 22 -19.077 -3.790 -3.873 148 H CYS 23 H CYS 23 -13.479 -1.285 -4.854 149 HA CYS 23 HA CYS 23 -10.831 -2.250 -4.336 150 HB2 CYS 23 1HB CYS 23 -11.554 -0.027 -5.462 151 HB3 CYS 23 2HB CYS 23 -11.739 0.567 -3.815 152 HA PRO 24 HA PRO 24 -11.522 -2.849 0.026 153 HB2 PRO 24 1HB PRO 24 -8.984 -3.627 0.597 154 HB3 PRO 24 2HB PRO 24 -10.167 -4.694 -0.169 155 HG2 PRO 24 1HG PRO 24 -7.960 -3.103 -1.419 156 HG3 PRO 24 2HG PRO 24 -8.465 -4.770 -1.752 157 HD2 PRO 24 1HD PRO 24 -9.177 -2.689 -3.331 158 HD3 PRO 24 2HD PRO 24 -10.221 -4.104 -3.089 159 H ILE 25 H ILE 25 -10.014 -0.367 -1.484 160 HA ILE 25 HA ILE 25 -8.946 0.772 1.012 161 HB ILE 25 HB ILE 25 -8.343 1.541 -1.846 162 HG12 ILE 25 1HG1 ILE 25 -6.625 0.245 0.282 163 HG13 ILE 25 2HG1 ILE 25 -7.287 -0.561 -1.135 164 HG21 ILE 25 1HG2 ILE 25 -8.371 3.468 -0.301 165 HG22 ILE 25 2HG2 ILE 25 -7.172 2.651 0.700 166 HG23 ILE 25 3HG2 ILE 25 -6.765 3.132 -0.947 167 HD11 ILE 25 3HD1 ILE 25 -5.116 -0.128 -1.763 168 HD12 ILE 25 1HD1 ILE 25 -5.986 1.239 -2.458 169 HD13 ILE 25 2HD1 ILE 25 -5.084 1.439 -0.956 170 H CYS 26 H CYS 26 -10.797 1.612 -1.907 171 HA CYS 26 HA CYS 26 -12.034 3.814 -0.389 172 HB2 CYS 26 1HB CYS 26 -12.549 4.822 -2.600 173 HB3 CYS 26 2HB CYS 26 -10.821 4.638 -2.319 174 H LEU 27 H LEU 27 -12.655 0.775 -0.967 175 HA LEU 27 HA LEU 27 -14.483 -0.526 -1.454 176 HB2 LEU 27 1HB LEU 27 -15.891 1.711 -0.010 177 HB3 LEU 27 2HB LEU 27 -16.410 0.031 -0.127 178 HG LEU 27 HG LEU 27 -13.929 0.960 1.317 179 HD11 LEU 27 1HD1 LEU 27 -16.422 -0.036 2.637 180 HD12 LEU 27 2HD1 LEU 27 -16.237 1.669 2.230 181 HD13 LEU 27 3HD1 LEU 27 -15.089 0.894 3.321 182 HD21 LEU 27 3HD2 LEU 27 -14.581 -1.458 2.335 183 HD22 LEU 27 1HD2 LEU 27 -13.424 -1.213 1.026 184 HD23 LEU 27 2HD2 LEU 27 -15.089 -1.662 0.658 185 H ASP 28 H ASP 28 -13.844 1.302 -3.567 186 HA ASP 28 HA ASP 28 -16.523 1.923 -4.620 187 HB2 ASP 28 1HB ASP 28 -15.105 3.895 -4.463 188 HB3 ASP 28 2HB ASP 28 -13.834 3.084 -5.374 189 H ILE 29 H ILE 29 -17.115 1.213 -6.652 190 HA ILE 29 HA ILE 29 -16.357 -1.260 -7.516 191 HB ILE 29 HB ILE 29 -17.338 0.993 -9.273 192 HG12 ILE 29 1HG1 ILE 29 -19.006 -1.219 -8.104 193 HG13 ILE 29 2HG1 ILE 29 -18.691 0.252 -7.190 194 HG21 ILE 29 1HG2 ILE 29 -17.656 -0.471 -10.972 195 HG22 ILE 29 2HG2 ILE 29 -16.303 -1.292 -10.195 196 HG23 ILE 29 3HG2 ILE 29 -17.954 -1.832 -9.891 197 HD11 ILE 29 3HD1 ILE 29 -19.731 0.504 -9.959 198 HD12 ILE 29 1HD1 ILE 29 -20.833 -0.007 -8.681 199 HD13 ILE 29 2HD1 ILE 29 -19.988 1.537 -8.553 200 H LEU 30 H LEU 30 -14.243 -1.777 -7.737 201 HA LEU 30 HA LEU 30 -12.186 -0.214 -8.711 202 HB2 LEU 30 1HB LEU 30 -12.655 -3.139 -8.496 203 HB3 LEU 30 2HB LEU 30 -11.290 -2.594 -9.468 204 HG LEU 30 HG LEU 30 -11.623 -1.634 -6.650 205 HD11 LEU 30 1HD1 LEU 30 -10.334 -4.223 -7.503 206 HD12 LEU 30 2HD1 LEU 30 -11.787 -4.056 -6.518 207 HD13 LEU 30 3HD1 LEU 30 -10.232 -3.502 -5.896 208 HD21 LEU 30 3HD2 LEU 30 -9.942 -0.746 -8.413 209 HD22 LEU 30 1HD2 LEU 30 -9.074 -2.247 -8.089 210 HD23 LEU 30 2HD2 LEU 30 -9.374 -1.103 -6.781 211 H GLN 31 H GLN 31 -12.307 0.891 -10.569 212 HA GLN 31 HA GLN 31 -13.549 -0.228 -12.921 213 HB2 GLN 31 1HB GLN 31 -13.770 2.166 -12.380 214 HB3 GLN 31 2HB GLN 31 -12.032 2.363 -12.561 215 HG2 GLN 31 1HG GLN 31 -12.868 3.125 -14.576 216 HG3 GLN 31 2HG GLN 31 -12.385 1.469 -14.941 217 HE21 GLN 31 1HE2 GLN 31 -14.214 2.926 -16.467 218 HE22 GLN 31 2HE2 GLN 31 -15.762 2.171 -16.337 219 H LYS 32 H LYS 32 -10.294 0.423 -11.768 220 HA LYS 32 HA LYS 32 -9.254 -1.105 -14.057 221 HB2 LYS 32 1HB LYS 32 -8.022 1.370 -12.834 222 HB3 LYS 32 2HB LYS 32 -7.246 0.356 -14.043 223 HG2 LYS 32 1HG LYS 32 -8.091 1.951 -15.409 224 HG3 LYS 32 2HG LYS 32 -9.486 0.870 -15.365 225 HD2 LYS 32 1HD LYS 32 -10.713 2.285 -14.056 226 HD3 LYS 32 2HD LYS 32 -9.288 2.967 -13.268 227 HE2 LYS 32 1HE LYS 32 -9.876 3.478 -16.166 228 HE3 LYS 32 2HE LYS 32 -10.607 4.455 -14.895 229 HZ1 LYS 32 3HZ LYS 32 -7.806 4.180 -14.497 230 HZ2 LYS 32 1HZ LYS 32 -8.733 5.588 -14.650 231 HZ3 LYS 32 2HZ LYS 32 -8.132 4.816 -16.030 232 HA PRO 33 HA PRO 33 -7.913 -3.136 -10.157 233 HB2 PRO 33 1HB PRO 33 -8.076 -5.651 -11.167 234 HB3 PRO 33 2HB PRO 33 -9.467 -4.796 -10.487 235 HG2 PRO 33 1HG PRO 33 -8.675 -5.148 -13.353 236 HG3 PRO 33 2HG PRO 33 -10.282 -5.271 -12.613 237 HD2 PRO 33 1HD PRO 33 -9.459 -3.066 -13.952 238 HD3 PRO 33 2HD PRO 33 -10.578 -2.985 -12.575 239 H VAL 34 H VAL 34 -5.778 -2.886 -9.911 240 HA VAL 34 HA VAL 34 -3.982 -3.901 -12.011 241 HB VAL 34 HB VAL 34 -3.444 -1.863 -9.847 242 HG11 VAL 34 1HG1 VAL 34 -1.467 -3.223 -10.335 243 HG12 VAL 34 2HG1 VAL 34 -1.634 -2.848 -12.051 244 HG13 VAL 34 3HG1 VAL 34 -1.267 -1.564 -10.899 245 HG21 VAL 34 3HG2 VAL 34 -3.321 -1.332 -12.785 246 HG22 VAL 34 1HG2 VAL 34 -4.875 -1.313 -11.952 247 HG23 VAL 34 2HG2 VAL 34 -3.594 -0.210 -11.453 248 H THR 35 H THR 35 -3.336 -5.905 -11.555 249 HA THR 35 HA THR 35 -3.057 -6.821 -8.826 250 HB THR 35 HB THR 35 -2.497 -8.242 -11.436 251 HG1 THR 35 1HG THR 35 -4.618 -8.317 -11.411 252 HG21 THR 35 3HG2 THR 35 -2.905 -9.604 -8.802 253 HG22 THR 35 1HG2 THR 35 -1.307 -9.006 -9.249 254 HG23 THR 35 2HG2 THR 35 -2.115 -10.204 -10.260 255 H ILE 36 H ILE 36 -1.281 -6.443 -7.688 256 HA ILE 36 HA ILE 36 1.252 -5.970 -9.069 257 HB ILE 36 HB ILE 36 2.064 -5.287 -6.792 258 HG12 ILE 36 1HG1 ILE 36 -0.869 -5.555 -6.094 259 HG13 ILE 36 2HG1 ILE 36 0.429 -6.567 -5.470 260 HG21 ILE 36 1HG2 ILE 36 1.621 -3.340 -7.787 261 HG22 ILE 36 2HG2 ILE 36 0.123 -3.946 -8.491 262 HG23 ILE 36 3HG2 ILE 36 0.133 -3.326 -6.841 263 HD11 ILE 36 3HD1 ILE 36 1.432 -4.357 -4.612 264 HD12 ILE 36 1HD1 ILE 36 -0.187 -3.708 -4.868 265 HD13 ILE 36 2HD1 ILE 36 0.057 -5.060 -3.761 266 H ASP 37 H ASP 37 3.159 -6.709 -7.398 267 HA ASP 37 HA ASP 37 3.523 -9.414 -7.800 268 HB2 ASP 37 1HB ASP 37 5.169 -7.522 -7.002 269 HB3 ASP 37 2HB ASP 37 4.757 -8.122 -5.398 270 H CYS 38 H CYS 38 2.281 -7.774 -4.911 271 HA CYS 38 HA CYS 38 2.039 -10.043 -3.281 272 HB2 CYS 38 1HB CYS 38 0.955 -8.673 -1.785 273 HB3 CYS 38 2HB CYS 38 1.748 -7.461 -2.786 274 H GLY 39 H GLY 39 0.031 -8.807 -5.846 275 HA2 GLY 39 1HA GLY 39 -1.396 -10.371 -7.023 276 HA3 GLY 39 2HA GLY 39 -1.746 -11.132 -5.478 277 H HIS 40 H HIS 40 -2.398 -9.025 -3.884 278 HA HIS 40 HA HIS 40 -5.045 -8.600 -4.257 279 HB2 HIS 40 1HB HIS 40 -3.075 -6.637 -3.066 280 HB3 HIS 40 2HB HIS 40 -4.821 -6.560 -2.854 281 HD2 HIS 40 2HD HIS 40 -4.890 -9.985 -2.336 282 HE1 HIS 40 1HE HIS 40 -2.889 -8.768 1.201 283 HE2 HIS 40 2HE HIS 40 -4.087 -10.649 0.031 284 H ASN 41 H ASN 41 -6.378 -7.128 -5.266 285 HA ASN 41 HA ASN 41 -5.115 -5.575 -7.417 286 HB2 ASN 41 1HB ASN 41 -7.811 -6.868 -7.128 287 HB3 ASN 41 2HB ASN 41 -7.571 -5.558 -8.281 288 HD21 ASN 41 1HD2 ASN 41 -6.683 -8.816 -7.416 289 HD22 ASN 41 2HD2 ASN 41 -6.034 -9.258 -8.955 290 H PHE 42 H PHE 42 -5.287 -3.416 -7.490 291 HA PHE 42 HA PHE 42 -7.154 -2.113 -5.622 292 HB2 PHE 42 1HB PHE 42 -4.306 -1.307 -6.244 293 HB3 PHE 42 2HB PHE 42 -5.436 -0.334 -5.308 294 HD1 PHE 42 1HD PHE 42 -6.597 -1.731 -3.327 295 HD2 PHE 42 2HD PHE 42 -2.799 -2.555 -5.063 296 HE1 PHE 42 1HE PHE 42 -5.921 -2.915 -1.278 297 HE2 PHE 42 2HE PHE 42 -2.118 -3.741 -3.018 298 HZ PHE 42 HZ PHE 42 -3.679 -3.923 -1.123 299 H CYS 43 H CYS 43 -7.395 0.295 -6.208 300 HA CYS 43 HA CYS 43 -7.894 0.434 -9.097 301 HB2 CYS 43 1HB CYS 43 -9.708 1.782 -8.668 302 HB3 CYS 43 2HB CYS 43 -9.680 0.830 -7.187 303 H LEU 44 H LEU 44 -6.973 1.951 -10.367 304 HA LEU 44 HA LEU 44 -4.583 3.082 -9.938 305 HB2 LEU 44 1HB LEU 44 -5.759 3.167 -12.076 306 HB3 LEU 44 2HB LEU 44 -6.853 4.390 -11.432 307 HG LEU 44 HG LEU 44 -4.687 5.782 -11.091 308 HD11 LEU 44 1HD1 LEU 44 -2.800 4.795 -11.713 309 HD12 LEU 44 2HD1 LEU 44 -3.374 4.876 -13.378 310 HD13 LEU 44 3HD1 LEU 44 -3.675 3.432 -12.412 311 HD21 LEU 44 3HD2 LEU 44 -5.134 5.632 -13.966 312 HD22 LEU 44 1HD2 LEU 44 -5.422 6.959 -12.840 313 HD23 LEU 44 2HD2 LEU 44 -6.630 5.687 -13.032 314 H LYS 45 H LYS 45 -7.539 5.052 -9.598 315 HA LYS 45 HA LYS 45 -6.619 7.321 -8.528 316 HB2 LYS 45 1HB LYS 45 -8.959 5.827 -7.332 317 HB3 LYS 45 2HB LYS 45 -8.691 7.565 -7.292 318 HG2 LYS 45 1HG LYS 45 -8.691 7.298 -9.906 319 HG3 LYS 45 2HG LYS 45 -9.604 5.835 -9.530 320 HD2 LYS 45 1HD LYS 45 -11.012 7.418 -8.023 321 HD3 LYS 45 2HD LYS 45 -10.312 8.698 -9.018 322 HE2 LYS 45 1HE LYS 45 -11.800 6.305 -10.093 323 HE3 LYS 45 2HE LYS 45 -12.518 7.893 -9.829 324 HZ1 LYS 45 3HZ LYS 45 -10.094 7.773 -11.451 325 HZ2 LYS 45 1HZ LYS 45 -11.448 8.776 -11.601 326 HZ3 LYS 45 2HZ LYS 45 -11.516 7.177 -12.147 327 H CYS 46 H CYS 46 -6.838 4.253 -6.817 328 HA CYS 46 HA CYS 46 -5.967 5.387 -4.311 329 HB2 CYS 46 1HB CYS 46 -6.766 2.695 -5.289 330 HB3 CYS 46 2HB CYS 46 -5.691 2.753 -3.895 331 H ILE 47 H ILE 47 -4.581 2.705 -6.204 332 HA ILE 47 HA ILE 47 -2.114 2.520 -5.173 333 HB ILE 47 HB ILE 47 -2.796 2.487 -8.112 334 HG12 ILE 47 1HG1 ILE 47 -2.330 0.202 -6.189 335 HG13 ILE 47 2HG1 ILE 47 -3.923 0.829 -6.595 336 HG21 ILE 47 1HG2 ILE 47 -0.635 0.939 -8.003 337 HG22 ILE 47 2HG2 ILE 47 -0.541 2.673 -8.308 338 HG23 ILE 47 3HG2 ILE 47 -0.235 2.045 -6.689 339 HD11 ILE 47 3HD1 ILE 47 -2.373 0.192 -8.954 340 HD12 ILE 47 1HD1 ILE 47 -2.573 -1.196 -7.885 341 HD13 ILE 47 2HD1 ILE 47 -3.989 -0.332 -8.483 342 H THR 48 H THR 48 -3.240 5.115 -7.248 343 HA THR 48 HA THR 48 -0.634 6.315 -7.516 344 HB THR 48 HB THR 48 -3.287 7.623 -8.114 345 HG1 THR 48 1HG THR 48 -2.852 6.791 -10.286 346 HG21 THR 48 3HG2 THR 48 -0.491 8.329 -8.488 347 HG22 THR 48 1HG2 THR 48 -1.934 9.334 -8.614 348 HG23 THR 48 2HG2 THR 48 -1.404 8.375 -9.996 349 H GLN 49 H GLN 49 -3.541 6.873 -5.591 350 HA GLN 49 HA GLN 49 -2.828 9.316 -4.443 351 HB2 GLN 49 1HB GLN 49 -5.065 8.107 -4.312 352 HB3 GLN 49 2HB GLN 49 -4.363 7.150 -3.014 353 HG2 GLN 49 1HG GLN 49 -4.275 8.933 -1.560 354 HG3 GLN 49 2HG GLN 49 -4.291 10.126 -2.858 355 HE21 GLN 49 1HE2 GLN 49 -6.061 8.901 -0.424 356 HE22 GLN 49 2HE2 GLN 49 -7.654 9.231 -1.006 357 H ILE 50 H ILE 50 -2.150 6.003 -3.381 358 HA ILE 50 HA ILE 50 -0.959 6.536 -0.938 359 HB ILE 50 HB ILE 50 -0.141 4.394 -2.904 360 HG12 ILE 50 1HG1 ILE 50 -2.010 4.018 -0.583 361 HG13 ILE 50 2HG1 ILE 50 -2.618 4.603 -2.128 362 HG21 ILE 50 1HG2 ILE 50 1.270 5.050 -0.761 363 HG22 ILE 50 2HG2 ILE 50 0.057 4.049 0.036 364 HG23 ILE 50 3HG2 ILE 50 1.050 3.371 -1.253 365 HD11 ILE 50 3HD1 ILE 50 -2.272 2.609 -3.174 366 HD12 ILE 50 1HD1 ILE 50 -0.949 2.148 -2.103 367 HD13 ILE 50 2HD1 ILE 50 -2.617 2.051 -1.537 368 H GLY 51 H GLY 51 0.626 6.270 -4.122 369 HA2 GLY 51 1HA GLY 51 3.170 7.105 -3.066 370 HA3 GLY 51 2HA GLY 51 2.778 6.836 -4.758 371 H GLU 52 H GLU 52 2.039 9.117 -2.120 372 HA GLU 52 HA GLU 52 1.750 11.261 -4.079 373 HB2 GLU 52 1HB GLU 52 1.019 12.611 -2.115 374 HB3 GLU 52 2HB GLU 52 0.036 11.180 -2.396 375 HG2 GLU 52 1HG GLU 52 1.197 10.007 -0.616 376 HG3 GLU 52 2HG GLU 52 2.231 11.410 -0.350 377 H THR 53 H THR 53 3.762 10.346 -1.327 378 HA THR 53 HA THR 53 5.698 12.406 -2.158 379 HB THR 53 HB THR 53 6.397 12.631 0.199 380 HG1 THR 53 1HG THR 53 4.344 10.725 0.549 381 HG21 THR 53 3HG2 THR 53 4.033 13.561 0.986 382 HG22 THR 53 1HG2 THR 53 3.652 13.307 -0.716 383 HG23 THR 53 2HG2 THR 53 4.985 14.367 -0.260 384 H SER 54 H SER 54 5.491 9.569 -2.896 385 HA SER 54 HA SER 54 8.006 8.587 -1.713 386 HB2 SER 54 1HB SER 54 6.015 7.172 -1.226 387 HB3 SER 54 2HB SER 54 5.798 6.933 -2.960 388 HG SER 54 HG SER 54 8.094 6.158 -2.842 389 H CYS 55 H CYS 55 9.545 7.640 -3.083 390 HA CYS 55 HA CYS 55 9.525 8.710 -5.774 391 HB2 CYS 55 1HB CYS 55 11.633 7.122 -4.294 392 HB3 CYS 55 2HB CYS 55 11.849 7.871 -5.871 393 HG CYS 55 HG CYS 55 11.099 9.678 -3.068 394 H GLY 56 H GLY 56 7.528 6.914 -5.655 395 HA2 GLY 56 1HA GLY 56 6.823 5.304 -7.226 396 HA3 GLY 56 2HA GLY 56 8.499 4.829 -7.458 397 H PHE 57 H PHE 57 9.497 3.942 -5.298 398 HA PHE 57 HA PHE 57 8.417 1.479 -4.777 399 HB2 PHE 57 1HB PHE 57 10.150 3.214 -3.013 400 HB3 PHE 57 2HB PHE 57 9.777 1.533 -2.645 401 HD1 PHE 57 2HD PHE 57 11.466 3.771 -5.036 402 HD2 PHE 57 1HD PHE 57 10.885 -0.243 -3.747 403 HE1 PHE 57 2HE PHE 57 13.352 3.051 -6.442 404 HE2 PHE 57 1HE PHE 57 12.770 -0.971 -5.150 405 HZ PHE 57 HZ PHE 57 14.006 0.677 -6.501 406 H PHE 58 H PHE 58 6.530 0.913 -3.943 407 HA PHE 58 HA PHE 58 5.564 2.278 -1.542 408 HB2 PHE 58 1HB PHE 58 3.404 2.688 -2.382 409 HB3 PHE 58 2HB PHE 58 4.478 3.201 -3.680 410 HD1 PHE 58 1HD PHE 58 5.096 1.159 -5.340 411 HD2 PHE 58 2HD PHE 58 1.549 1.514 -3.013 412 HE1 PHE 58 1HE PHE 58 3.926 -0.339 -6.902 413 HE2 PHE 58 2HE PHE 58 0.374 0.016 -4.571 414 HZ PHE 58 HZ PHE 58 1.562 -0.913 -6.518 415 H LYS 59 H LYS 59 4.629 0.951 -0.078 416 HA LYS 59 HA LYS 59 4.624 -1.902 -0.703 417 HB2 LYS 59 1HB LYS 59 4.406 -2.198 1.748 418 HB3 LYS 59 2HB LYS 59 5.823 -1.259 1.298 419 HG2 LYS 59 1HG LYS 59 4.950 0.708 2.130 420 HG3 LYS 59 2HG LYS 59 3.284 0.135 2.020 421 HD2 LYS 59 1HD LYS 59 4.169 -1.638 3.780 422 HD3 LYS 59 2HD LYS 59 5.336 -0.357 4.116 423 HE2 LYS 59 1HE LYS 59 2.370 0.135 4.030 424 HE3 LYS 59 2HE LYS 59 3.203 -0.365 5.501 425 HZ1 LYS 59 3HZ LYS 59 4.635 1.761 4.416 426 HZ2 LYS 59 1HZ LYS 59 3.728 1.743 5.844 427 HZ3 LYS 59 2HZ LYS 59 3.004 2.210 4.389 428 H CYS 60 H CYS 60 2.836 -3.161 -0.721 429 HA CYS 60 HA CYS 60 0.340 -2.111 -1.268 430 HB2 CYS 60 1HB CYS 60 0.867 -4.394 -1.838 431 HB3 CYS 60 2HB CYS 60 1.080 -4.817 -0.142 432 HA PRO 61 HA PRO 61 -1.201 -0.755 2.638 433 HB2 PRO 61 1HB PRO 61 -3.830 -0.609 1.979 434 HB3 PRO 61 2HB PRO 61 -2.635 0.572 1.430 435 HG2 PRO 61 1HG PRO 61 -3.788 -1.775 -0.028 436 HG3 PRO 61 2HG PRO 61 -3.482 -0.131 -0.619 437 HD2 PRO 61 1HD PRO 61 -1.819 -2.202 -1.147 438 HD3 PRO 61 2HD PRO 61 -1.238 -0.535 -0.957 439 H LEU 62 H LEU 62 -3.012 -3.346 0.993 440 HA LEU 62 HA LEU 62 -4.299 -4.336 3.288 441 HB2 LEU 62 1HB LEU 62 -3.615 -5.558 0.634 442 HB3 LEU 62 2HB LEU 62 -4.447 -6.474 1.888 443 HG LEU 62 HG LEU 62 -5.492 -3.915 0.683 444 HD11 LEU 62 1HD1 LEU 62 -5.291 -6.335 -0.603 445 HD12 LEU 62 2HD1 LEU 62 -6.439 -5.053 -0.983 446 HD13 LEU 62 3HD1 LEU 62 -6.917 -6.378 0.077 447 HD21 LEU 62 3HD2 LEU 62 -6.267 -5.557 2.933 448 HD22 LEU 62 1HD2 LEU 62 -7.559 -5.443 1.737 449 HD23 LEU 62 2HD2 LEU 62 -6.867 -3.976 2.430 450 H CYS 63 H CYS 63 -1.459 -5.638 1.563 451 HA CYS 63 HA CYS 63 -0.638 -6.914 4.090 452 HB2 CYS 63 1HB CYS 63 0.440 -8.656 2.775 453 HB3 CYS 63 2HB CYS 63 -1.261 -8.538 2.335 454 H LYS 64 H LYS 64 1.124 -6.078 4.969 455 HA LYS 64 HA LYS 64 2.763 -4.200 3.558 456 HB2 LYS 64 1HB LYS 64 2.756 -5.344 6.331 457 HB3 LYS 64 2HB LYS 64 4.143 -4.423 5.765 458 HG2 LYS 64 1HG LYS 64 2.984 -2.451 5.696 459 HG3 LYS 64 2HG LYS 64 1.427 -3.248 5.457 460 HD2 LYS 64 1HD LYS 64 1.232 -2.550 7.640 461 HD3 LYS 64 2HD LYS 64 1.880 -4.176 7.867 462 HE2 LYS 64 1HE LYS 64 3.164 -2.824 9.284 463 HE3 LYS 64 2HE LYS 64 4.181 -3.070 7.865 464 HZ1 LYS 64 3HZ LYS 64 3.510 -0.667 8.973 465 HZ2 LYS 64 1HZ LYS 64 2.514 -0.765 7.609 466 HZ3 LYS 64 2HZ LYS 64 4.191 -0.903 7.443 467 H THR 65 H THR 65 3.504 -5.596 1.835 468 HA THR 65 HA THR 65 5.684 -7.395 2.673 469 HB THR 65 HB THR 65 3.877 -8.593 1.512 470 HG1 THR 65 1HG THR 65 5.436 -9.116 -0.440 471 HG21 THR 65 3HG2 THR 65 4.413 -6.542 -0.614 472 HG22 THR 65 1HG2 THR 65 2.872 -7.037 0.085 473 HG23 THR 65 2HG2 THR 65 3.727 -8.116 -1.017 474 H SER 66 H SER 66 7.588 -7.435 1.358 475 HA SER 66 HA SER 66 8.278 -4.806 0.361 476 HB2 SER 66 1HB SER 66 10.568 -5.815 0.119 477 HB3 SER 66 2HB SER 66 9.914 -5.895 1.754 478 HG SER 66 HG SER 66 10.672 -7.905 1.351 479 H VAL 67 H VAL 67 7.046 -4.664 -1.540 480 HA VAL 67 HA VAL 67 7.935 -6.430 -3.728 481 HB VAL 67 HB VAL 67 5.813 -5.903 -4.866 482 HG11 VAL 67 1HG1 VAL 67 4.321 -7.175 -3.295 483 HG12 VAL 67 2HG1 VAL 67 5.873 -7.941 -3.640 484 HG13 VAL 67 3HG1 VAL 67 5.624 -7.100 -2.110 485 HG21 VAL 67 3HG2 VAL 67 4.321 -4.392 -4.137 486 HG22 VAL 67 1HG2 VAL 67 4.499 -4.885 -2.453 487 HG23 VAL 67 2HG2 VAL 67 5.662 -3.772 -3.174 488 H ARG 68 H ARG 68 7.890 -5.399 -5.902 489 HA ARG 68 HA ARG 68 8.793 -2.601 -5.718 490 HB2 ARG 68 1HB ARG 68 10.348 -4.598 -6.495 491 HB3 ARG 68 2HB ARG 68 9.530 -4.338 -8.030 492 HG2 ARG 68 1HG ARG 68 10.247 -1.996 -8.007 493 HG3 ARG 68 2HG ARG 68 11.087 -2.278 -6.481 494 HD2 ARG 68 1HD ARG 68 12.638 -2.366 -8.357 495 HD3 ARG 68 2HD ARG 68 12.510 -3.939 -7.572 496 HE ARG 68 HE ARG 68 11.597 -4.796 -9.496 497 HH11 ARG 68 2HH1 ARG 68 11.629 -1.319 -9.671 498 HH12 ARG 68 1HH1 ARG 68 11.179 -1.269 -11.343 499 HH21 ARG 68 2HH2 ARG 68 11.004 -4.743 -11.698 500 HH22 ARG 68 1HH2 ARG 68 10.823 -3.217 -12.495 501 H LYS 69 H LYS 69 8.429 -1.282 -7.670 502 HA LYS 69 HA LYS 69 5.707 -1.602 -8.581 503 HB2 LYS 69 1HB LYS 69 5.878 0.607 -9.418 504 HB3 LYS 69 2HB LYS 69 6.762 0.600 -7.898 505 HG2 LYS 69 1HG LYS 69 8.356 0.031 -10.308 506 HG3 LYS 69 2HG LYS 69 7.703 1.666 -10.177 507 HD2 LYS 69 1HD LYS 69 9.016 0.487 -7.783 508 HD3 LYS 69 2HD LYS 69 10.042 1.006 -9.122 509 HE2 LYS 69 1HE LYS 69 7.917 2.848 -8.137 510 HE3 LYS 69 2HE LYS 69 9.386 2.661 -7.181 511 HZ1 LYS 69 3HZ LYS 69 9.905 3.048 -9.976 512 HZ2 LYS 69 1HZ LYS 69 10.555 3.850 -8.636 513 HZ3 LYS 69 2HZ LYS 69 9.073 4.347 -9.281 514 H ASN 70 H ASN 70 5.096 -1.474 -10.843 515 HA ASN 70 HA ASN 70 6.576 -3.302 -12.446 516 HB2 ASN 70 1HB ASN 70 4.838 -2.504 -14.221 517 HB3 ASN 70 2HB ASN 70 4.283 -3.424 -12.825 518 HD21 ASN 70 1HD2 ASN 70 3.672 -0.801 -14.684 519 HD22 ASN 70 2HD2 ASN 70 2.744 0.139 -13.570 520 H ALA 71 H ALA 71 5.653 0.086 -13.090 521 HA ALA 71 HA ALA 71 8.152 0.364 -14.630 522 HB1 ALA 71 3HB ALA 71 5.842 2.125 -15.243 523 HB2 ALA 71 1HB ALA 71 7.097 1.487 -16.307 524 HB3 ALA 71 2HB ALA 71 5.770 0.448 -15.785 525 H ILE 72 H ILE 72 9.383 2.175 -14.312 526 HA ILE 72 HA ILE 72 8.900 3.637 -11.870 527 HB ILE 72 HB ILE 72 11.078 4.659 -12.252 528 HG12 ILE 72 1HG1 ILE 72 12.354 3.605 -14.308 529 HG13 ILE 72 2HG1 ILE 72 10.728 3.439 -14.962 530 HG21 ILE 72 1HG2 ILE 72 11.361 2.668 -11.135 531 HG22 ILE 72 2HG2 ILE 72 10.779 1.702 -12.490 532 HG23 ILE 72 3HG2 ILE 72 12.390 2.418 -12.545 533 HD11 ILE 72 3HD1 ILE 72 10.432 5.696 -15.163 534 HD12 ILE 72 1HD1 ILE 72 11.575 6.073 -13.874 535 HD13 ILE 72 2HD1 ILE 72 12.166 5.561 -15.455 536 H ARG 73 H ARG 73 9.335 6.060 -11.889 537 HA ARG 73 HA ARG 73 7.971 7.294 -14.192 538 HB2 ARG 73 1HB ARG 73 7.617 7.748 -11.246 539 HB3 ARG 73 2HB ARG 73 7.238 9.023 -12.395 540 HG2 ARG 73 1HG ARG 73 6.073 6.297 -12.753 541 HG3 ARG 73 2HG ARG 73 5.371 7.422 -11.587 542 HD2 ARG 73 1HD ARG 73 5.918 8.310 -14.390 543 HD3 ARG 73 2HD ARG 73 4.477 7.359 -14.031 544 HE ARG 73 HE ARG 73 4.615 9.485 -12.216 545 HH11 ARG 73 2HH1 ARG 73 4.104 8.916 -15.612 546 HH12 ARG 73 1HH1 ARG 73 3.114 10.320 -15.831 547 HH21 ARG 73 2HH2 ARG 73 3.313 11.337 -12.492 548 HH22 ARG 73 1HH2 ARG 73 2.665 11.697 -14.056 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -8.967 -10.353 16.859 2 HA2 GLY 1 1HA GLY 1 -9.092 -11.462 14.139 3 HA3 GLY 1 2HA GLY 1 -10.547 -10.771 14.842 4 H SER 2 H SER 2 -10.385 -9.385 12.896 5 HA SER 2 HA SER 2 -9.260 -6.852 13.603 6 HB2 SER 2 1HB SER 2 -7.793 -6.608 11.639 7 HB3 SER 2 2HB SER 2 -7.245 -7.915 12.689 8 HG SER 2 HG SER 2 -9.012 -8.599 10.656 9 H SER 3 H SER 3 -10.347 -5.214 12.644 10 HA SER 3 HA SER 3 -11.636 -5.401 10.125 11 HB2 SER 3 1HB SER 3 -13.943 -5.475 10.779 12 HB3 SER 3 2HB SER 3 -13.141 -6.843 11.549 13 HG SER 3 HG SER 3 -12.889 -5.065 13.322 14 H GLY 4 H GLY 4 -13.280 -3.491 9.905 15 HA2 GLY 4 1HA GLY 4 -12.825 -1.256 11.664 16 HA3 GLY 4 2HA GLY 4 -11.987 -1.107 10.127 17 H SER 5 H SER 5 -15.221 -1.870 11.411 18 HA SER 5 HA SER 5 -16.439 -0.786 8.998 19 HB2 SER 5 1HB SER 5 -17.382 -2.436 11.297 20 HB3 SER 5 2HB SER 5 -18.572 -1.450 10.448 21 HG SER 5 HG SER 5 -18.130 -3.694 9.664 22 H SER 6 H SER 6 -18.288 0.722 9.220 23 HA SER 6 HA SER 6 -18.639 2.312 11.531 24 HB2 SER 6 1HB SER 6 -16.351 3.073 10.823 25 HB3 SER 6 2HB SER 6 -17.070 3.663 9.325 26 HG SER 6 HG SER 6 -17.839 5.325 10.361 27 H GLY 7 H GLY 7 -20.643 3.069 11.388 28 HA2 GLY 7 1HA GLY 7 -22.626 3.829 10.516 29 HA3 GLY 7 2HA GLY 7 -21.681 4.479 9.184 30 H MET 8 H MET 8 -24.321 3.217 9.148 31 HA MET 8 HA MET 8 -23.799 0.735 7.685 32 HB2 MET 8 1HB MET 8 -26.210 1.930 8.988 33 HB3 MET 8 2HB MET 8 -26.433 0.768 7.688 34 HG2 MET 8 1HG MET 8 -24.839 -0.729 9.040 35 HG3 MET 8 2HG MET 8 -25.187 0.367 10.376 36 HE1 MET 8 3HE MET 8 -28.144 -0.974 11.918 37 HE2 MET 8 1HE MET 8 -26.637 -0.057 11.950 38 HE3 MET 8 2HE MET 8 -28.088 0.656 11.245 39 H ALA 9 H ALA 9 -24.300 0.459 5.547 40 HA ALA 9 HA ALA 9 -25.672 2.532 4.065 41 HB1 ALA 9 3HB ALA 9 -23.717 3.631 3.725 42 HB2 ALA 9 1HB ALA 9 -22.733 2.186 3.960 43 HB3 ALA 9 2HB ALA 9 -23.570 2.445 2.429 44 H SER 10 H SER 10 -26.905 1.577 2.591 45 HA SER 10 HA SER 10 -25.970 -0.598 0.974 46 HB2 SER 10 1HB SER 10 -26.524 -2.026 2.763 47 HB3 SER 10 2HB SER 10 -27.966 -1.097 3.174 48 HG SER 10 HG SER 10 -29.030 -1.973 1.492 49 H GLY 11 H GLY 11 -27.238 -0.929 -0.849 50 HA2 GLY 11 1HA GLY 11 -29.857 -0.214 -1.292 51 HA3 GLY 11 2HA GLY 11 -28.934 1.255 -1.575 52 H GLN 12 H GLN 12 -29.897 -1.780 -2.829 53 HA GLN 12 HA GLN 12 -28.892 -1.086 -5.432 54 HB2 GLN 12 1HB GLN 12 -26.965 -2.235 -4.212 55 HB3 GLN 12 2HB GLN 12 -27.936 -3.699 -4.274 56 HG2 GLN 12 1HG GLN 12 -27.830 -3.806 -6.611 57 HG3 GLN 12 2HG GLN 12 -27.273 -2.139 -6.745 58 HE21 GLN 12 1HE2 GLN 12 -25.246 -2.032 -7.357 59 HE22 GLN 12 2HE2 GLN 12 -23.976 -3.105 -6.890 60 H PHE 13 H PHE 13 -29.512 -2.780 -7.072 61 HA PHE 13 HA PHE 13 -32.179 -3.249 -7.142 62 HB2 PHE 13 1HB PHE 13 -29.855 -4.576 -8.443 63 HB3 PHE 13 2HB PHE 13 -31.419 -5.375 -8.573 64 HD1 PHE 13 1HD PHE 13 -33.252 -4.332 -9.784 65 HD2 PHE 13 2HD PHE 13 -29.420 -2.494 -9.555 66 HE1 PHE 13 1HE PHE 13 -33.863 -2.835 -11.639 67 HE2 PHE 13 2HE PHE 13 -30.025 -0.994 -11.409 68 HZ PHE 13 HZ PHE 13 -32.249 -1.163 -12.453 69 H VAL 14 H VAL 14 -33.439 -5.268 -7.008 70 HA VAL 14 HA VAL 14 -32.781 -6.687 -4.537 71 HB VAL 14 HB VAL 14 -35.354 -6.573 -6.115 72 HG11 VAL 14 1HG1 VAL 14 -36.338 -7.702 -4.128 73 HG12 VAL 14 2HG1 VAL 14 -35.212 -8.713 -5.036 74 HG13 VAL 14 3HG1 VAL 14 -34.703 -7.965 -3.522 75 HG21 VAL 14 3HG2 VAL 14 -35.798 -4.721 -4.973 76 HG22 VAL 14 1HG2 VAL 14 -35.579 -5.592 -3.456 77 HG23 VAL 14 2HG2 VAL 14 -34.204 -4.800 -4.224 78 H ASN 15 H ASN 15 -31.200 -8.108 -5.367 79 HA ASN 15 HA ASN 15 -32.300 -10.519 -6.493 80 HB2 ASN 15 1HB ASN 15 -30.426 -8.772 -8.069 81 HB3 ASN 15 2HB ASN 15 -30.457 -10.515 -8.314 82 HD21 ASN 15 1HD2 ASN 15 -31.431 -7.873 -9.713 83 HD22 ASN 15 2HD2 ASN 15 -32.965 -8.351 -10.349 84 H LYS 16 H LYS 16 -30.180 -11.984 -7.075 85 HA LYS 16 HA LYS 16 -28.434 -11.774 -4.709 86 HB2 LYS 16 1HB LYS 16 -29.782 -14.132 -5.971 87 HB3 LYS 16 2HB LYS 16 -28.263 -14.361 -5.115 88 HG2 LYS 16 1HG LYS 16 -30.549 -12.934 -3.816 89 HG3 LYS 16 2HG LYS 16 -30.474 -14.698 -3.844 90 HD2 LYS 16 1HD LYS 16 -28.501 -14.745 -2.577 91 HD3 LYS 16 2HD LYS 16 -28.161 -13.040 -2.884 92 HE2 LYS 16 1HE LYS 16 -28.955 -12.929 -0.737 93 HE3 LYS 16 2HE LYS 16 -30.449 -12.693 -1.643 94 HZ1 LYS 16 3HZ LYS 16 -29.937 -15.455 -1.214 95 HZ2 LYS 16 1HZ LYS 16 -31.292 -14.538 -0.782 96 HZ3 LYS 16 2HZ LYS 16 -29.959 -14.619 0.257 97 H LEU 17 H LEU 17 -27.775 -10.511 -7.105 98 HA LEU 17 HA LEU 17 -25.622 -12.224 -8.158 99 HB2 LEU 17 1HB LEU 17 -25.692 -10.408 -10.038 100 HB3 LEU 17 2HB LEU 17 -26.835 -11.749 -10.034 101 HG LEU 17 HG LEU 17 -28.543 -10.269 -9.065 102 HD11 LEU 17 1HD1 LEU 17 -26.546 -8.054 -9.489 103 HD12 LEU 17 2HD1 LEU 17 -26.952 -8.746 -7.919 104 HD13 LEU 17 3HD1 LEU 17 -28.187 -7.907 -8.858 105 HD21 LEU 17 3HD2 LEU 17 -28.919 -10.273 -11.293 106 HD22 LEU 17 1HD2 LEU 17 -27.264 -9.809 -11.686 107 HD23 LEU 17 2HD2 LEU 17 -28.419 -8.587 -11.154 108 H GLN 18 H GLN 18 -24.564 -11.451 -6.091 109 HA GLN 18 HA GLN 18 -23.426 -8.760 -6.397 110 HB2 GLN 18 1HB GLN 18 -22.750 -8.988 -4.029 111 HB3 GLN 18 2HB GLN 18 -24.489 -9.129 -4.252 112 HG2 GLN 18 1HG GLN 18 -24.523 -11.346 -3.704 113 HG3 GLN 18 2HG GLN 18 -22.859 -11.613 -4.222 114 HE21 GLN 18 1HE2 GLN 18 -23.258 -12.769 -1.998 115 HE22 GLN 18 2HE2 GLN 18 -22.701 -11.877 -0.627 116 H GLU 19 H GLU 19 -22.248 -10.109 -8.204 117 HA GLU 19 HA GLU 19 -19.792 -11.250 -7.049 118 HB2 GLU 19 1HB GLU 19 -21.367 -11.886 -9.491 119 HB3 GLU 19 2HB GLU 19 -19.620 -12.052 -9.589 120 HG2 GLU 19 1HG GLU 19 -19.563 -13.726 -7.976 121 HG3 GLU 19 2HG GLU 19 -21.164 -13.318 -7.362 122 H GLU 20 H GLU 20 -20.305 -8.418 -7.368 123 HA GLU 20 HA GLU 20 -18.740 -7.577 -9.656 124 HB2 GLU 20 1HB GLU 20 -19.803 -5.901 -7.379 125 HB3 GLU 20 2HB GLU 20 -19.217 -5.320 -8.931 126 HG2 GLU 20 1HG GLU 20 -21.577 -5.236 -9.001 127 HG3 GLU 20 2HG GLU 20 -21.078 -6.589 -10.014 128 H VAL 21 H VAL 21 -17.126 -5.662 -9.008 129 HA VAL 21 HA VAL 21 -15.371 -6.681 -6.871 130 HB VAL 21 HB VAL 21 -14.400 -7.320 -8.999 131 HG11 VAL 21 1HG1 VAL 21 -15.535 -5.610 -10.374 132 HG12 VAL 21 2HG1 VAL 21 -14.438 -4.391 -9.721 133 HG13 VAL 21 3HG1 VAL 21 -13.805 -5.713 -10.702 134 HG21 VAL 21 3HG2 VAL 21 -12.291 -6.739 -8.428 135 HG22 VAL 21 1HG2 VAL 21 -12.671 -5.018 -8.354 136 HG23 VAL 21 2HG2 VAL 21 -13.092 -6.073 -7.005 137 H ILE 22 H ILE 22 -14.775 -5.214 -5.413 138 HA ILE 22 HA ILE 22 -14.923 -2.364 -6.137 139 HB ILE 22 HB ILE 22 -15.615 -3.294 -3.372 140 HG12 ILE 22 1HG1 ILE 22 -17.644 -2.851 -5.566 141 HG13 ILE 22 2HG1 ILE 22 -17.083 -4.448 -5.081 142 HG21 ILE 22 1HG2 ILE 22 -15.101 -0.919 -3.791 143 HG22 ILE 22 2HG2 ILE 22 -16.425 -0.859 -4.953 144 HG23 ILE 22 3HG2 ILE 22 -16.761 -1.167 -3.249 145 HD11 ILE 22 3HD1 ILE 22 -18.028 -2.768 -2.878 146 HD12 ILE 22 1HD1 ILE 22 -19.256 -3.197 -4.069 147 HD13 ILE 22 2HD1 ILE 22 -18.350 -4.463 -3.240 148 H CYS 23 H CYS 23 -13.546 -0.959 -4.911 149 HA CYS 23 HA CYS 23 -10.997 -2.143 -4.345 150 HB2 CYS 23 1HB CYS 23 -11.319 0.100 -5.434 151 HB3 CYS 23 2HB CYS 23 -11.861 0.716 -3.876 152 HA PRO 24 HA PRO 24 -11.915 -2.881 -0.045 153 HB2 PRO 24 1HB PRO 24 -9.473 -3.886 0.582 154 HB3 PRO 24 2HB PRO 24 -10.703 -4.819 -0.278 155 HG2 PRO 24 1HG PRO 24 -8.329 -3.357 -1.367 156 HG3 PRO 24 2HG PRO 24 -8.949 -4.961 -1.798 157 HD2 PRO 24 1HD PRO 24 -9.430 -2.761 -3.302 158 HD3 PRO 24 2HD PRO 24 -10.591 -4.097 -3.166 159 H ILE 25 H ILE 25 -10.119 -0.480 -1.385 160 HA ILE 25 HA ILE 25 -8.977 0.429 1.163 161 HB ILE 25 HB ILE 25 -8.505 1.477 -1.631 162 HG12 ILE 25 1HG1 ILE 25 -6.634 -0.073 0.170 163 HG13 ILE 25 2HG1 ILE 25 -7.578 -0.804 -1.123 164 HG21 ILE 25 1HG2 ILE 25 -8.288 3.217 0.069 165 HG22 ILE 25 2HG2 ILE 25 -7.166 2.200 0.972 166 HG23 ILE 25 3HG2 ILE 25 -6.719 2.803 -0.623 167 HD11 ILE 25 3HD1 ILE 25 -5.039 0.152 -1.358 168 HD12 ILE 25 1HD1 ILE 25 -6.160 -0.109 -2.695 169 HD13 ILE 25 2HD1 ILE 25 -6.000 1.495 -1.977 170 H CYS 26 H CYS 26 -10.798 1.735 -1.613 171 HA CYS 26 HA CYS 26 -11.868 3.824 0.153 172 HB2 CYS 26 1HB CYS 26 -12.593 4.896 -2.014 173 HB3 CYS 26 2HB CYS 26 -10.852 4.765 -1.791 174 H LEU 27 H LEU 27 -12.693 0.911 -1.367 175 HA LEU 27 HA LEU 27 -14.620 -0.306 -1.370 176 HB2 LEU 27 1HB LEU 27 -16.049 1.952 -0.016 177 HB3 LEU 27 2HB LEU 27 -16.370 0.222 0.084 178 HG LEU 27 HG LEU 27 -13.904 1.503 1.245 179 HD11 LEU 27 1HD1 LEU 27 -15.039 1.393 3.411 180 HD12 LEU 27 2HD1 LEU 27 -16.526 0.895 2.604 181 HD13 LEU 27 3HD1 LEU 27 -15.853 2.497 2.302 182 HD21 LEU 27 3HD2 LEU 27 -13.586 -0.816 0.952 183 HD22 LEU 27 1HD2 LEU 27 -15.221 -1.188 1.500 184 HD23 LEU 27 2HD2 LEU 27 -14.018 -0.602 2.649 185 H ASP 28 H ASP 28 -13.925 1.395 -3.534 186 HA ASP 28 HA ASP 28 -16.592 2.133 -4.551 187 HB2 ASP 28 1HB ASP 28 -15.160 4.089 -4.372 188 HB3 ASP 28 2HB ASP 28 -13.889 3.277 -5.283 189 H ILE 29 H ILE 29 -17.228 1.384 -6.534 190 HA ILE 29 HA ILE 29 -16.469 -1.061 -7.445 191 HB ILE 29 HB ILE 29 -17.466 1.203 -9.179 192 HG12 ILE 29 1HG1 ILE 29 -18.924 0.750 -7.252 193 HG13 ILE 29 2HG1 ILE 29 -19.691 0.259 -8.758 194 HG21 ILE 29 1HG2 ILE 29 -17.977 -0.322 -10.832 195 HG22 ILE 29 2HG2 ILE 29 -16.443 -0.948 -10.228 196 HG23 ILE 29 3HG2 ILE 29 -17.960 -1.692 -9.721 197 HD11 ILE 29 3HD1 ILE 29 -18.253 -1.957 -7.710 198 HD12 ILE 29 1HD1 ILE 29 -19.255 -1.268 -6.432 199 HD13 ILE 29 2HD1 ILE 29 -19.990 -1.774 -7.953 200 H LEU 30 H LEU 30 -14.430 -1.671 -7.836 201 HA LEU 30 HA LEU 30 -12.371 -0.047 -8.810 202 HB2 LEU 30 1HB LEU 30 -12.789 -2.985 -8.555 203 HB3 LEU 30 2HB LEU 30 -11.419 -2.404 -9.498 204 HG LEU 30 HG LEU 30 -11.834 -1.442 -6.694 205 HD11 LEU 30 1HD1 LEU 30 -11.952 -3.851 -6.517 206 HD12 LEU 30 2HD1 LEU 30 -10.396 -3.281 -5.917 207 HD13 LEU 30 3HD1 LEU 30 -10.507 -4.022 -7.513 208 HD21 LEU 30 3HD2 LEU 30 -9.578 -0.894 -6.774 209 HD22 LEU 30 1HD2 LEU 30 -10.139 -0.513 -8.402 210 HD23 LEU 30 2HD2 LEU 30 -9.252 -2.008 -8.103 211 H GLN 31 H GLN 31 -12.685 1.038 -10.678 212 HA GLN 31 HA GLN 31 -13.914 -0.170 -12.973 213 HB2 GLN 31 1HB GLN 31 -14.151 2.232 -12.496 214 HB3 GLN 31 2HB GLN 31 -12.419 2.446 -12.715 215 HG2 GLN 31 1HG GLN 31 -12.862 1.433 -15.066 216 HG3 GLN 31 2HG GLN 31 -14.531 1.902 -14.748 217 HE21 GLN 31 1HE2 GLN 31 -12.571 2.892 -16.714 218 HE22 GLN 31 2HE2 GLN 31 -12.477 4.597 -16.454 219 H LYS 32 H LYS 32 -10.632 0.585 -11.949 220 HA LYS 32 HA LYS 32 -9.637 -1.041 -14.188 221 HB2 LYS 32 1HB LYS 32 -7.653 0.486 -14.294 222 HB3 LYS 32 2HB LYS 32 -9.163 1.219 -14.819 223 HG2 LYS 32 1HG LYS 32 -9.331 2.115 -12.422 224 HG3 LYS 32 2HG LYS 32 -7.621 1.696 -12.297 225 HD2 LYS 32 1HD LYS 32 -7.606 3.935 -12.964 226 HD3 LYS 32 2HD LYS 32 -7.338 3.045 -14.464 227 HE2 LYS 32 1HE LYS 32 -8.945 4.746 -14.915 228 HE3 LYS 32 2HE LYS 32 -9.798 3.203 -14.896 229 HZ1 LYS 32 3HZ LYS 32 -10.495 5.420 -13.491 230 HZ2 LYS 32 1HZ LYS 32 -9.721 4.468 -12.325 231 HZ3 LYS 32 2HZ LYS 32 -11.040 3.848 -13.183 232 HA PRO 33 HA PRO 33 -8.061 -2.849 -10.291 233 HB2 PRO 33 1HB PRO 33 -8.005 -5.387 -11.254 234 HB3 PRO 33 2HB PRO 33 -9.465 -4.643 -10.590 235 HG2 PRO 33 1HG PRO 33 -8.641 -4.978 -13.449 236 HG3 PRO 33 2HG PRO 33 -10.233 -5.226 -12.706 237 HD2 PRO 33 1HD PRO 33 -9.602 -2.983 -14.087 238 HD3 PRO 33 2HD PRO 33 -10.725 -2.974 -12.712 239 H VAL 34 H VAL 34 -5.962 -3.103 -9.798 240 HA VAL 34 HA VAL 34 -4.080 -3.754 -11.968 241 HB VAL 34 HB VAL 34 -3.731 -1.657 -9.824 242 HG11 VAL 34 1HG1 VAL 34 -1.745 -2.840 -11.751 243 HG12 VAL 34 2HG1 VAL 34 -1.507 -1.281 -10.959 244 HG13 VAL 34 3HG1 VAL 34 -1.637 -2.752 -9.993 245 HG21 VAL 34 3HG2 VAL 34 -3.441 -1.243 -12.775 246 HG22 VAL 34 1HG2 VAL 34 -5.034 -1.216 -12.018 247 HG23 VAL 34 2HG2 VAL 34 -3.797 -0.065 -11.512 248 H THR 35 H THR 35 -3.699 -5.849 -11.397 249 HA THR 35 HA THR 35 -3.259 -6.656 -8.682 250 HB THR 35 HB THR 35 -2.584 -8.222 -11.176 251 HG1 THR 35 1HG THR 35 -4.993 -8.572 -9.771 252 HG21 THR 35 3HG2 THR 35 -3.534 -9.409 -8.610 253 HG22 THR 35 1HG2 THR 35 -1.857 -8.879 -8.731 254 HG23 THR 35 2HG2 THR 35 -2.481 -10.096 -9.845 255 H ILE 36 H ILE 36 -1.445 -6.390 -7.575 256 HA ILE 36 HA ILE 36 1.045 -5.843 -9.006 257 HB ILE 36 HB ILE 36 1.932 -5.147 -6.818 258 HG12 ILE 36 1HG1 ILE 36 -0.836 -5.886 -5.853 259 HG13 ILE 36 2HG1 ILE 36 0.692 -6.592 -5.336 260 HG21 ILE 36 1HG2 ILE 36 -0.724 -3.820 -7.296 261 HG22 ILE 36 2HG2 ILE 36 0.761 -3.097 -6.680 262 HG23 ILE 36 3HG2 ILE 36 0.663 -3.607 -8.365 263 HD11 ILE 36 3HD1 ILE 36 -0.252 -5.041 -3.688 264 HD12 ILE 36 1HD1 ILE 36 1.328 -4.523 -4.275 265 HD13 ILE 36 2HD1 ILE 36 -0.135 -3.738 -4.870 266 H ASP 37 H ASP 37 3.027 -6.651 -7.529 267 HA ASP 37 HA ASP 37 3.294 -9.373 -7.982 268 HB2 ASP 37 1HB ASP 37 5.056 -7.505 -7.388 269 HB3 ASP 37 2HB ASP 37 4.824 -8.102 -5.747 270 H CYS 38 H CYS 38 2.374 -7.681 -5.011 271 HA CYS 38 HA CYS 38 2.357 -9.781 -3.224 272 HB2 CYS 38 1HB CYS 38 1.143 -8.417 -1.825 273 HB3 CYS 38 2HB CYS 38 1.741 -7.222 -2.971 274 H GLY 39 H GLY 39 -0.198 -8.810 -5.488 275 HA2 GLY 39 1HA GLY 39 -1.494 -10.523 -6.602 276 HA3 GLY 39 2HA GLY 39 -1.375 -11.491 -5.140 277 H HIS 40 H HIS 40 -2.272 -8.082 -5.581 278 HA HIS 40 HA HIS 40 -4.981 -8.720 -4.652 279 HB2 HIS 40 1HB HIS 40 -3.063 -6.757 -3.420 280 HB3 HIS 40 2HB HIS 40 -4.805 -6.544 -3.265 281 HD2 HIS 40 2HD HIS 40 -5.077 -10.006 -2.875 282 HE1 HIS 40 1HE HIS 40 -3.268 -8.965 0.818 283 HE2 HIS 40 2HE HIS 40 -4.461 -10.764 -0.480 284 H ASN 41 H ASN 41 -6.567 -7.091 -5.153 285 HA ASN 41 HA ASN 41 -5.824 -5.550 -7.540 286 HB2 ASN 41 1HB ASN 41 -8.675 -5.949 -6.758 287 HB3 ASN 41 2HB ASN 41 -7.949 -5.881 -8.362 288 HD21 ASN 41 1HD2 ASN 41 -6.537 -7.741 -8.929 289 HD22 ASN 41 2HD2 ASN 41 -7.038 -9.310 -8.409 290 H PHE 42 H PHE 42 -5.891 -3.391 -7.547 291 HA PHE 42 HA PHE 42 -7.380 -2.000 -5.439 292 HB2 PHE 42 1HB PHE 42 -4.496 -1.450 -6.169 293 HB3 PHE 42 2HB PHE 42 -5.473 -0.455 -5.094 294 HD1 PHE 42 1HD PHE 42 -6.695 -1.970 -3.195 295 HD2 PHE 42 2HD PHE 42 -3.013 -2.848 -5.141 296 HE1 PHE 42 1HE PHE 42 -6.026 -3.373 -1.287 297 HE2 PHE 42 2HE PHE 42 -2.338 -4.253 -3.237 298 HZ PHE 42 HZ PHE 42 -3.845 -4.517 -1.307 299 H CYS 43 H CYS 43 -7.728 0.296 -5.909 300 HA CYS 43 HA CYS 43 -8.180 0.681 -8.766 301 HB2 CYS 43 1HB CYS 43 -9.877 2.123 -8.205 302 HB3 CYS 43 2HB CYS 43 -9.860 1.116 -6.761 303 H LEU 44 H LEU 44 -7.269 2.276 -9.977 304 HA LEU 44 HA LEU 44 -4.747 3.196 -9.488 305 HB2 LEU 44 1HB LEU 44 -5.640 3.363 -11.674 306 HB3 LEU 44 2HB LEU 44 -6.956 4.403 -11.131 307 HG LEU 44 HG LEU 44 -5.347 6.213 -10.730 308 HD11 LEU 44 1HD1 LEU 44 -3.417 4.653 -10.296 309 HD12 LEU 44 2HD1 LEU 44 -3.060 6.049 -11.311 310 HD13 LEU 44 3HD1 LEU 44 -3.285 4.461 -12.044 311 HD21 LEU 44 3HD2 LEU 44 -4.511 6.053 -13.344 312 HD22 LEU 44 1HD2 LEU 44 -6.054 6.703 -12.789 313 HD23 LEU 44 2HD2 LEU 44 -5.945 5.025 -13.321 314 H LYS 45 H LYS 45 -7.740 5.067 -8.983 315 HA LYS 45 HA LYS 45 -6.737 7.403 -8.002 316 HB2 LYS 45 1HB LYS 45 -9.128 5.925 -6.886 317 HB3 LYS 45 2HB LYS 45 -8.810 7.647 -6.719 318 HG2 LYS 45 1HG LYS 45 -9.144 6.304 -9.386 319 HG3 LYS 45 2HG LYS 45 -10.492 6.988 -8.474 320 HD2 LYS 45 1HD LYS 45 -9.065 9.136 -8.404 321 HD3 LYS 45 2HD LYS 45 -8.147 8.389 -9.714 322 HE2 LYS 45 1HE LYS 45 -9.977 8.400 -11.161 323 HE3 LYS 45 2HE LYS 45 -11.134 8.599 -9.846 324 HZ1 LYS 45 3HZ LYS 45 -11.057 10.694 -10.752 325 HZ2 LYS 45 1HZ LYS 45 -9.406 10.613 -11.115 326 HZ3 LYS 45 2HZ LYS 45 -9.910 10.838 -9.516 327 H CYS 46 H CYS 46 -6.752 4.298 -6.441 328 HA CYS 46 HA CYS 46 -5.961 5.419 -3.873 329 HB2 CYS 46 1HB CYS 46 -6.835 2.761 -4.861 330 HB3 CYS 46 2HB CYS 46 -5.712 2.763 -3.504 331 H ILE 47 H ILE 47 -4.629 2.846 -5.958 332 HA ILE 47 HA ILE 47 -2.131 2.637 -4.873 333 HB ILE 47 HB ILE 47 -2.913 2.445 -7.780 334 HG12 ILE 47 1HG1 ILE 47 -2.317 0.265 -5.773 335 HG13 ILE 47 2HG1 ILE 47 -3.940 0.855 -6.117 336 HG21 ILE 47 1HG2 ILE 47 -0.695 0.910 -7.567 337 HG22 ILE 47 2HG2 ILE 47 -0.700 2.570 -8.160 338 HG23 ILE 47 3HG2 ILE 47 -0.287 2.236 -6.478 339 HD11 ILE 47 3HD1 ILE 47 -4.098 -0.411 -7.926 340 HD12 ILE 47 1HD1 ILE 47 -2.536 0.136 -8.535 341 HD13 ILE 47 2HD1 ILE 47 -2.617 -1.207 -7.394 342 H THR 48 H THR 48 -3.374 5.209 -6.854 343 HA THR 48 HA THR 48 -0.872 6.355 -7.577 344 HB THR 48 HB THR 48 -3.278 6.771 -8.559 345 HG1 THR 48 1HG THR 48 -2.342 9.087 -8.971 346 HG21 THR 48 3HG2 THR 48 -4.267 8.862 -7.784 347 HG22 THR 48 1HG2 THR 48 -3.039 8.994 -6.527 348 HG23 THR 48 2HG2 THR 48 -4.215 7.680 -6.476 349 H GLN 49 H GLN 49 -3.088 6.792 -4.878 350 HA GLN 49 HA GLN 49 -1.720 9.065 -3.803 351 HB2 GLN 49 1HB GLN 49 -3.996 8.904 -3.218 352 HB3 GLN 49 2HB GLN 49 -3.847 7.215 -2.754 353 HG2 GLN 49 1HG GLN 49 -4.106 8.622 -0.804 354 HG3 GLN 49 2HG GLN 49 -2.516 7.861 -0.815 355 HE21 GLN 49 1HE2 GLN 49 -0.832 9.121 -0.468 356 HE22 GLN 49 2HE2 GLN 49 -0.807 10.842 -0.609 357 H ILE 50 H ILE 50 -1.970 5.660 -2.777 358 HA ILE 50 HA ILE 50 -0.386 5.577 -0.597 359 HB ILE 50 HB ILE 50 -0.263 3.603 -2.881 360 HG12 ILE 50 1HG1 ILE 50 -1.847 3.310 -0.341 361 HG13 ILE 50 2HG1 ILE 50 -2.513 4.170 -1.725 362 HG21 ILE 50 1HG2 ILE 50 0.303 2.045 -0.887 363 HG22 ILE 50 2HG2 ILE 50 1.573 3.045 -1.591 364 HG23 ILE 50 3HG2 ILE 50 0.797 3.537 -0.087 365 HD11 ILE 50 3HD1 ILE 50 -2.046 1.292 -1.323 366 HD12 ILE 50 1HD1 ILE 50 -3.317 2.128 -2.215 367 HD13 ILE 50 2HD1 ILE 50 -1.721 1.921 -2.938 368 H GLY 51 H GLY 51 0.895 5.263 -3.918 369 HA2 GLY 51 1HA GLY 51 3.444 6.360 -2.905 370 HA3 GLY 51 2HA GLY 51 3.400 5.006 -4.024 371 H GLU 52 H GLU 52 2.816 8.444 -3.651 372 HA GLU 52 HA GLU 52 2.066 8.945 -6.340 373 HB2 GLU 52 1HB GLU 52 3.220 10.761 -4.219 374 HB3 GLU 52 2HB GLU 52 2.644 11.323 -5.783 375 HG2 GLU 52 1HG GLU 52 0.453 10.069 -5.068 376 HG3 GLU 52 2HG GLU 52 1.111 10.306 -3.449 377 H THR 53 H THR 53 3.402 10.442 -7.761 378 HA THR 53 HA THR 53 5.628 9.160 -8.729 379 HB THR 53 HB THR 53 6.256 11.401 -9.760 380 HG1 THR 53 1HG THR 53 5.020 12.482 -7.899 381 HG21 THR 53 3HG2 THR 53 4.568 11.254 -11.372 382 HG22 THR 53 1HG2 THR 53 3.356 10.756 -10.193 383 HG23 THR 53 2HG2 THR 53 4.624 9.632 -10.682 384 H SER 54 H SER 54 5.398 11.192 -5.965 385 HA SER 54 HA SER 54 8.148 11.955 -5.832 386 HB2 SER 54 1HB SER 54 6.588 13.335 -4.665 387 HB3 SER 54 2HB SER 54 5.916 11.956 -3.795 388 HG SER 54 HG SER 54 8.401 13.239 -3.438 389 H CYS 55 H CYS 55 6.200 9.404 -4.338 390 HA CYS 55 HA CYS 55 8.627 8.244 -3.174 391 HB2 CYS 55 1HB CYS 55 5.702 7.644 -2.699 392 HB3 CYS 55 2HB CYS 55 7.025 6.764 -1.944 393 HG CYS 55 HG CYS 55 8.031 9.221 -0.765 394 H GLY 56 H GLY 56 9.281 6.139 -3.606 395 HA2 GLY 56 1HA GLY 56 8.182 5.031 -6.104 396 HA3 GLY 56 2HA GLY 56 9.813 4.762 -5.507 397 H PHE 57 H PHE 57 10.091 3.384 -3.641 398 HA PHE 57 HA PHE 57 8.681 0.983 -3.827 399 HB2 PHE 57 1HB PHE 57 10.284 1.998 -1.470 400 HB3 PHE 57 2HB PHE 57 9.859 0.319 -1.787 401 HD1 PHE 57 2HD PHE 57 11.918 3.155 -2.892 402 HD2 PHE 57 1HD PHE 57 11.065 -0.987 -3.371 403 HE1 PHE 57 2HE PHE 57 13.982 2.886 -4.202 404 HE2 PHE 57 1HE PHE 57 13.129 -1.264 -4.682 405 HZ PHE 57 HZ PHE 57 14.590 0.674 -5.100 406 H PHE 58 H PHE 58 6.732 0.414 -3.146 407 HA PHE 58 HA PHE 58 5.616 1.729 -0.767 408 HB2 PHE 58 1HB PHE 58 3.558 2.170 -1.784 409 HB3 PHE 58 2HB PHE 58 4.718 2.589 -3.040 410 HD1 PHE 58 1HD PHE 58 5.387 0.426 -4.534 411 HD2 PHE 58 2HD PHE 58 1.707 1.028 -2.480 412 HE1 PHE 58 1HE PHE 58 4.272 -1.127 -6.083 413 HE2 PHE 58 2HE PHE 58 0.587 -0.525 -4.025 414 HZ PHE 58 HZ PHE 58 1.869 -1.605 -5.829 415 H LYS 59 H LYS 59 4.396 0.448 0.569 416 HA LYS 59 HA LYS 59 4.491 -2.425 -0.013 417 HB2 LYS 59 1HB LYS 59 4.139 -2.728 2.405 418 HB3 LYS 59 2HB LYS 59 5.556 -1.742 2.068 419 HG2 LYS 59 1HG LYS 59 4.318 0.270 2.604 420 HG3 LYS 59 2HG LYS 59 2.853 -0.679 2.866 421 HD2 LYS 59 1HD LYS 59 4.331 -1.965 4.587 422 HD3 LYS 59 2HD LYS 59 5.332 -0.512 4.530 423 HE2 LYS 59 1HE LYS 59 2.368 -0.448 5.049 424 HE3 LYS 59 2HE LYS 59 3.564 -0.580 6.337 425 HZ1 LYS 59 3HZ LYS 59 4.568 1.506 5.356 426 HZ2 LYS 59 1HZ LYS 59 3.086 1.689 6.151 427 HZ3 LYS 59 2HZ LYS 59 3.142 1.668 4.461 428 H CYS 60 H CYS 60 2.696 -3.630 -0.244 429 HA CYS 60 HA CYS 60 0.234 -2.470 -0.838 430 HB2 CYS 60 1HB CYS 60 0.681 -4.632 -1.710 431 HB3 CYS 60 2HB CYS 60 1.002 -5.293 -0.109 432 HA PRO 61 HA PRO 61 -1.526 -1.631 3.116 433 HB2 PRO 61 1HB PRO 61 -4.129 -1.465 2.362 434 HB3 PRO 61 2HB PRO 61 -2.944 -0.203 2.006 435 HG2 PRO 61 1HG PRO 61 -3.972 -2.389 0.238 436 HG3 PRO 61 2HG PRO 61 -3.685 -0.682 -0.146 437 HD2 PRO 61 1HD PRO 61 -1.948 -2.642 -0.833 438 HD3 PRO 61 2HD PRO 61 -1.419 -0.996 -0.428 439 H LEU 62 H LEU 62 -3.387 -3.952 1.139 440 HA LEU 62 HA LEU 62 -4.686 -5.252 3.224 441 HB2 LEU 62 1HB LEU 62 -3.902 -6.043 0.456 442 HB3 LEU 62 2HB LEU 62 -4.581 -7.254 1.542 443 HG LEU 62 HG LEU 62 -5.994 -4.671 0.924 444 HD11 LEU 62 1HD1 LEU 62 -6.195 -7.307 -0.523 445 HD12 LEU 62 2HD1 LEU 62 -5.638 -5.773 -1.191 446 HD13 LEU 62 3HD1 LEU 62 -7.322 -5.963 -0.705 447 HD21 LEU 62 3HD2 LEU 62 -7.920 -5.776 1.767 448 HD22 LEU 62 1HD2 LEU 62 -6.624 -6.043 2.934 449 HD23 LEU 62 2HD2 LEU 62 -7.086 -7.330 1.821 450 H CYS 63 H CYS 63 -1.888 -6.562 1.438 451 HA CYS 63 HA CYS 63 -1.081 -7.938 3.915 452 HB2 CYS 63 1HB CYS 63 -0.074 -9.659 2.538 453 HB3 CYS 63 2HB CYS 63 -1.753 -9.441 2.054 454 H LYS 64 H LYS 64 0.765 -7.320 4.811 455 HA LYS 64 HA LYS 64 2.369 -5.267 3.729 456 HB2 LYS 64 1HB LYS 64 2.544 -7.077 6.094 457 HB3 LYS 64 2HB LYS 64 3.989 -6.196 5.615 458 HG2 LYS 64 1HG LYS 64 2.298 -4.160 5.603 459 HG3 LYS 64 2HG LYS 64 1.438 -5.194 6.745 460 HD2 LYS 64 1HD LYS 64 2.796 -4.032 8.181 461 HD3 LYS 64 2HD LYS 64 3.824 -5.423 7.830 462 HE2 LYS 64 1HE LYS 64 4.753 -3.961 5.916 463 HE3 LYS 64 2HE LYS 64 4.018 -2.618 6.789 464 HZ1 LYS 64 3HZ LYS 64 6.026 -2.602 7.787 465 HZ2 LYS 64 1HZ LYS 64 6.335 -4.237 7.482 466 HZ3 LYS 64 2HZ LYS 64 5.326 -3.792 8.765 467 H THR 65 H THR 65 2.885 -6.112 1.622 468 HA THR 65 HA THR 65 5.115 -8.039 1.683 469 HB THR 65 HB THR 65 3.215 -7.616 -0.629 470 HG1 THR 65 1HG THR 65 2.730 -9.943 0.149 471 HG21 THR 65 3HG2 THR 65 4.431 -9.124 -1.800 472 HG22 THR 65 1HG2 THR 65 4.842 -10.066 -0.368 473 HG23 THR 65 2HG2 THR 65 5.729 -8.587 -0.735 474 H SER 66 H SER 66 7.008 -7.248 1.055 475 HA SER 66 HA SER 66 7.275 -4.581 0.105 476 HB2 SER 66 1HB SER 66 9.279 -6.833 0.354 477 HB3 SER 66 2HB SER 66 9.706 -5.187 -0.110 478 HG SER 66 HG SER 66 9.985 -5.334 2.080 479 H VAL 67 H VAL 67 7.273 -3.826 -1.907 480 HA VAL 67 HA VAL 67 7.866 -5.654 -4.126 481 HB VAL 67 HB VAL 67 5.535 -3.733 -4.137 482 HG11 VAL 67 1HG1 VAL 67 6.921 -4.528 -6.277 483 HG12 VAL 67 2HG1 VAL 67 5.821 -5.900 -6.131 484 HG13 VAL 67 3HG1 VAL 67 5.177 -4.268 -6.311 485 HG21 VAL 67 3HG2 VAL 67 4.148 -5.367 -3.467 486 HG22 VAL 67 1HG2 VAL 67 5.004 -6.604 -4.388 487 HG23 VAL 67 2HG2 VAL 67 5.604 -6.109 -2.806 488 H ARG 68 H ARG 68 9.155 -4.802 -5.645 489 HA ARG 68 HA ARG 68 10.190 -2.144 -5.255 490 HB2 ARG 68 1HB ARG 68 10.791 -4.191 -7.399 491 HB3 ARG 68 2HB ARG 68 11.689 -2.702 -7.132 492 HG2 ARG 68 1HG ARG 68 12.364 -3.488 -4.929 493 HG3 ARG 68 2HG ARG 68 11.438 -4.971 -5.168 494 HD2 ARG 68 1HD ARG 68 13.567 -4.153 -7.111 495 HD3 ARG 68 2HD ARG 68 13.982 -4.996 -5.619 496 HE ARG 68 HE ARG 68 12.683 -6.104 -7.940 497 HH11 ARG 68 2HH1 ARG 68 13.276 -6.446 -4.527 498 HH12 ARG 68 1HH1 ARG 68 12.984 -8.154 -4.514 499 HH21 ARG 68 2HH2 ARG 68 12.296 -8.352 -7.937 500 HH22 ARG 68 1HH2 ARG 68 12.427 -9.237 -6.455 501 H LYS 69 H LYS 69 9.131 -0.424 -5.975 502 HA LYS 69 HA LYS 69 7.636 -0.636 -8.502 503 HB2 LYS 69 1HB LYS 69 6.421 -0.005 -6.347 504 HB3 LYS 69 2HB LYS 69 7.296 1.518 -6.420 505 HG2 LYS 69 1HG LYS 69 6.320 1.818 -8.732 506 HG3 LYS 69 2HG LYS 69 5.266 0.452 -8.359 507 HD2 LYS 69 1HD LYS 69 4.380 1.651 -6.428 508 HD3 LYS 69 2HD LYS 69 5.459 3.008 -6.763 509 HE2 LYS 69 1HE LYS 69 4.356 3.282 -8.962 510 HE3 LYS 69 2HE LYS 69 3.232 1.994 -8.529 511 HZ1 LYS 69 3HZ LYS 69 2.147 4.004 -8.043 512 HZ2 LYS 69 1HZ LYS 69 3.505 4.666 -7.282 513 HZ3 LYS 69 2HZ LYS 69 2.652 3.405 -6.544 514 H ASN 70 H ASN 70 8.891 0.039 -10.127 515 HA ASN 70 HA ASN 70 10.845 2.137 -9.750 516 HB2 ASN 70 1HB ASN 70 11.428 1.713 -12.103 517 HB3 ASN 70 2HB ASN 70 11.389 0.218 -11.173 518 HD21 ASN 70 1HD2 ASN 70 10.887 1.106 -14.087 519 HD22 ASN 70 2HD2 ASN 70 9.453 0.241 -14.512 520 H ALA 71 H ALA 71 10.509 4.229 -10.086 521 HA ALA 71 HA ALA 71 8.043 5.051 -11.454 522 HB1 ALA 71 3HB ALA 71 8.280 5.853 -9.168 523 HB2 ALA 71 1HB ALA 71 9.821 6.607 -9.578 524 HB3 ALA 71 2HB ALA 71 8.328 7.198 -10.308 525 H ILE 72 H ILE 72 8.291 7.302 -12.530 526 HA ILE 72 HA ILE 72 10.112 7.006 -14.687 527 HB ILE 72 HB ILE 72 9.345 9.353 -15.286 528 HG12 ILE 72 1HG1 ILE 72 7.206 8.962 -13.224 529 HG13 ILE 72 2HG1 ILE 72 8.723 9.727 -12.765 530 HG21 ILE 72 1HG2 ILE 72 8.288 7.020 -15.874 531 HG22 ILE 72 2HG2 ILE 72 6.957 7.622 -14.887 532 HG23 ILE 72 3HG2 ILE 72 7.473 8.521 -16.314 533 HD11 ILE 72 3HD1 ILE 72 7.515 11.566 -13.308 534 HD12 ILE 72 1HD1 ILE 72 8.202 11.203 -14.891 535 HD13 ILE 72 2HD1 ILE 72 6.549 10.716 -14.513 536 H ARG 73 H ARG 73 11.991 8.068 -15.168 537 HA ARG 73 HA ARG 73 13.242 9.512 -12.937 538 HB2 ARG 73 1HB ARG 73 14.226 7.378 -14.161 539 HB3 ARG 73 2HB ARG 73 14.799 8.583 -15.306 540 HG2 ARG 73 1HG ARG 73 16.066 9.693 -13.619 541 HG3 ARG 73 2HG ARG 73 15.345 8.699 -12.351 542 HD2 ARG 73 1HD ARG 73 17.422 7.711 -12.683 543 HD3 ARG 73 2HD ARG 73 16.339 6.710 -13.650 544 HE ARG 73 HE ARG 73 17.282 8.650 -15.358 545 HH11 ARG 73 2HH1 ARG 73 18.664 6.145 -13.374 546 HH12 ARG 73 1HH1 ARG 73 20.027 5.893 -14.414 547 HH21 ARG 73 2HH2 ARG 73 19.071 8.327 -16.735 548 HH22 ARG 73 1HH2 ARG 73 20.258 7.136 -16.325 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -13.345 26.648 -16.997 2 HA2 GLY 1 1HA GLY 1 -14.381 27.174 -14.774 3 HA3 GLY 1 2HA GLY 1 -15.905 27.244 -15.646 4 H SER 2 H SER 2 -17.099 25.539 -15.141 5 HA SER 2 HA SER 2 -15.781 22.904 -15.027 6 HB2 SER 2 1HB SER 2 -17.177 22.236 -13.240 7 HB3 SER 2 2HB SER 2 -16.664 23.869 -12.817 8 HG SER 2 HG SER 2 -18.685 24.584 -13.754 9 H SER 3 H SER 3 -17.375 21.078 -15.385 10 HA SER 3 HA SER 3 -19.187 21.814 -17.589 11 HB2 SER 3 1HB SER 3 -17.826 19.149 -17.132 12 HB3 SER 3 2HB SER 3 -18.783 19.617 -18.538 13 HG SER 3 HG SER 3 -17.044 21.446 -18.494 14 H GLY 4 H GLY 4 -20.980 20.150 -17.920 15 HA2 GLY 4 1HA GLY 4 -21.908 18.901 -15.454 16 HA3 GLY 4 2HA GLY 4 -22.897 20.210 -16.084 17 H SER 5 H SER 5 -23.025 17.092 -15.827 18 HA SER 5 HA SER 5 -24.431 16.752 -18.363 19 HB2 SER 5 1HB SER 5 -22.048 15.175 -17.484 20 HB3 SER 5 2HB SER 5 -23.335 14.343 -18.357 21 HG SER 5 HG SER 5 -21.857 15.124 -19.841 22 H SER 6 H SER 6 -25.691 14.655 -18.363 23 HA SER 6 HA SER 6 -26.324 13.553 -15.764 24 HB2 SER 6 1HB SER 6 -28.634 14.206 -15.718 25 HB3 SER 6 2HB SER 6 -27.680 15.673 -15.939 26 HG SER 6 HG SER 6 -28.838 15.981 -17.653 27 H GLY 7 H GLY 7 -27.896 11.772 -15.911 28 HA2 GLY 7 1HA GLY 7 -28.548 10.757 -18.539 29 HA3 GLY 7 2HA GLY 7 -27.296 9.844 -17.708 30 H MET 8 H MET 8 -29.526 8.515 -18.383 31 HA MET 8 HA MET 8 -30.903 8.179 -15.802 32 HB2 MET 8 1HB MET 8 -32.073 8.051 -18.580 33 HB3 MET 8 2HB MET 8 -32.898 7.419 -17.162 34 HG2 MET 8 1HG MET 8 -33.824 9.512 -17.383 35 HG3 MET 8 2HG MET 8 -32.552 9.786 -16.194 36 HE1 MET 8 3HE MET 8 -32.927 11.447 -20.400 37 HE2 MET 8 1HE MET 8 -32.546 9.726 -20.340 38 HE3 MET 8 2HE MET 8 -34.001 10.334 -19.551 39 H ALA 9 H ALA 9 -31.594 6.027 -15.307 40 HA ALA 9 HA ALA 9 -30.151 3.949 -16.822 41 HB1 ALA 9 3HB ALA 9 -29.100 4.423 -14.641 42 HB2 ALA 9 1HB ALA 9 -30.614 3.996 -13.842 43 HB3 ALA 9 2HB ALA 9 -29.722 2.776 -14.752 44 H SER 10 H SER 10 -31.089 1.810 -16.753 45 HA SER 10 HA SER 10 -33.734 1.412 -15.733 46 HB2 SER 10 1HB SER 10 -34.954 1.268 -17.772 47 HB3 SER 10 2HB SER 10 -34.079 2.798 -17.843 48 HG SER 10 HG SER 10 -32.535 1.783 -19.162 49 H GLY 11 H GLY 11 -34.610 -0.756 -16.425 50 HA2 GLY 11 1HA GLY 11 -32.520 -2.703 -16.166 51 HA3 GLY 11 2HA GLY 11 -34.241 -3.032 -16.297 52 H GLN 12 H GLN 12 -31.237 -2.865 -17.951 53 HA GLN 12 HA GLN 12 -32.551 -3.875 -20.375 54 HB2 GLN 12 1HB GLN 12 -31.046 -2.590 -21.787 55 HB3 GLN 12 2HB GLN 12 -31.954 -1.511 -20.735 56 HG2 GLN 12 1HG GLN 12 -29.962 -1.495 -19.206 57 HG3 GLN 12 2HG GLN 12 -29.080 -2.346 -20.473 58 HE21 GLN 12 1HE2 GLN 12 -27.712 -0.926 -21.299 59 HE22 GLN 12 2HE2 GLN 12 -28.115 0.661 -21.849 60 H PHE 13 H PHE 13 -31.429 -5.445 -18.364 61 HA PHE 13 HA PHE 13 -29.448 -6.879 -19.892 62 HB2 PHE 13 1HB PHE 13 -28.755 -5.545 -17.281 63 HB3 PHE 13 2HB PHE 13 -27.884 -6.963 -17.857 64 HD1 PHE 13 1HD PHE 13 -27.243 -6.694 -20.498 65 HD2 PHE 13 2HD PHE 13 -27.719 -3.549 -17.670 66 HE1 PHE 13 1HE PHE 13 -25.795 -5.250 -21.866 67 HE2 PHE 13 2HE PHE 13 -26.272 -2.099 -19.034 68 HZ PHE 13 HZ PHE 13 -25.309 -2.949 -21.135 69 H VAL 14 H VAL 14 -29.498 -9.030 -19.478 70 HA VAL 14 HA VAL 14 -31.654 -10.178 -18.168 71 HB VAL 14 HB VAL 14 -30.369 -11.402 -19.830 72 HG11 VAL 14 1HG1 VAL 14 -28.174 -11.209 -17.791 73 HG12 VAL 14 2HG1 VAL 14 -28.175 -12.452 -19.044 74 HG13 VAL 14 3HG1 VAL 14 -28.145 -10.747 -19.493 75 HG21 VAL 14 3HG2 VAL 14 -31.655 -12.550 -17.930 76 HG22 VAL 14 1HG2 VAL 14 -30.521 -13.526 -18.864 77 HG23 VAL 14 2HG2 VAL 14 -30.067 -12.934 -17.266 78 H ASN 15 H ASN 15 -32.015 -11.015 -16.160 79 HA ASN 15 HA ASN 15 -30.828 -9.890 -13.938 80 HB2 ASN 15 1HB ASN 15 -32.185 -12.592 -14.078 81 HB3 ASN 15 2HB ASN 15 -31.947 -11.627 -12.624 82 HD21 ASN 15 1HD2 ASN 15 -33.146 -9.730 -12.347 83 HD22 ASN 15 2HD2 ASN 15 -34.601 -9.441 -13.234 84 H LYS 16 H LYS 16 -28.731 -9.985 -13.456 85 HA LYS 16 HA LYS 16 -27.500 -12.626 -13.157 86 HB2 LYS 16 1HB LYS 16 -25.500 -12.006 -14.298 87 HB3 LYS 16 2HB LYS 16 -26.841 -11.627 -15.371 88 HG2 LYS 16 1HG LYS 16 -26.578 -9.349 -15.113 89 HG3 LYS 16 2HG LYS 16 -25.727 -9.517 -13.577 90 HD2 LYS 16 1HD LYS 16 -23.982 -8.989 -14.974 91 HD3 LYS 16 2HD LYS 16 -23.947 -10.751 -15.063 92 HE2 LYS 16 1HE LYS 16 -23.754 -9.873 -17.285 93 HE3 LYS 16 2HE LYS 16 -25.343 -10.616 -17.115 94 HZ1 LYS 16 3HZ LYS 16 -26.302 -8.432 -16.790 95 HZ2 LYS 16 1HZ LYS 16 -25.457 -8.482 -18.254 96 HZ3 LYS 16 2HZ LYS 16 -24.779 -7.707 -16.913 97 H LEU 17 H LEU 17 -25.995 -12.780 -11.514 98 HA LEU 17 HA LEU 17 -26.247 -10.980 -9.366 99 HB2 LEU 17 1HB LEU 17 -25.687 -13.335 -9.073 100 HB3 LEU 17 2HB LEU 17 -24.142 -13.077 -9.880 101 HG LEU 17 HG LEU 17 -23.561 -11.497 -7.995 102 HD11 LEU 17 1HD1 LEU 17 -26.223 -12.435 -7.112 103 HD12 LEU 17 2HD1 LEU 17 -25.408 -10.896 -6.833 104 HD13 LEU 17 3HD1 LEU 17 -24.967 -12.313 -5.880 105 HD21 LEU 17 3HD2 LEU 17 -23.401 -14.284 -8.199 106 HD22 LEU 17 1HD2 LEU 17 -23.869 -13.951 -6.531 107 HD23 LEU 17 2HD2 LEU 17 -22.409 -13.220 -7.200 108 H GLN 18 H GLN 18 -24.486 -9.784 -8.315 109 HA GLN 18 HA GLN 18 -23.139 -8.105 -10.220 110 HB2 GLN 18 1HB GLN 18 -23.050 -8.110 -7.198 111 HB3 GLN 18 2HB GLN 18 -22.377 -6.857 -8.232 112 HG2 GLN 18 1HG GLN 18 -24.507 -6.161 -8.952 113 HG3 GLN 18 2HG GLN 18 -25.282 -7.603 -8.297 114 HE21 GLN 18 1HE2 GLN 18 -23.394 -4.777 -7.306 115 HE22 GLN 18 2HE2 GLN 18 -24.200 -4.551 -5.794 116 H GLU 19 H GLU 19 -21.578 -9.342 -11.235 117 HA GLU 19 HA GLU 19 -19.587 -10.726 -9.634 118 HB2 GLU 19 1HB GLU 19 -18.643 -11.366 -11.865 119 HB3 GLU 19 2HB GLU 19 -20.302 -11.883 -11.601 120 HG2 GLU 19 1HG GLU 19 -19.725 -10.916 -13.876 121 HG3 GLU 19 2HG GLU 19 -21.161 -10.288 -13.069 122 H GLU 20 H GLU 20 -19.607 -7.982 -9.176 123 HA GLU 20 HA GLU 20 -17.222 -7.012 -10.595 124 HB2 GLU 20 1HB GLU 20 -17.867 -4.789 -9.984 125 HB3 GLU 20 2HB GLU 20 -19.284 -5.593 -10.643 126 HG2 GLU 20 1HG GLU 20 -20.071 -6.025 -8.350 127 HG3 GLU 20 2HG GLU 20 -18.683 -5.133 -7.731 128 H VAL 21 H VAL 21 -15.767 -5.599 -9.214 129 HA VAL 21 HA VAL 21 -15.481 -6.758 -6.518 130 HB VAL 21 HB VAL 21 -13.771 -7.716 -7.948 131 HG11 VAL 21 1HG1 VAL 21 -13.857 -5.563 -9.459 132 HG12 VAL 21 2HG1 VAL 21 -12.509 -5.064 -8.435 133 HG13 VAL 21 3HG1 VAL 21 -12.402 -6.556 -9.371 134 HG21 VAL 21 3HG2 VAL 21 -11.745 -6.383 -6.751 135 HG22 VAL 21 1HG2 VAL 21 -13.105 -5.885 -5.745 136 HG23 VAL 21 2HG2 VAL 21 -12.739 -7.598 -5.948 137 H ILE 22 H ILE 22 -15.007 -5.379 -4.877 138 HA ILE 22 HA ILE 22 -14.932 -2.520 -5.557 139 HB ILE 22 HB ILE 22 -15.657 -3.814 -2.926 140 HG12 ILE 22 1HG1 ILE 22 -17.463 -2.466 -4.942 141 HG13 ILE 22 2HG1 ILE 22 -17.278 -4.210 -4.798 142 HG21 ILE 22 1HG2 ILE 22 -14.674 -1.553 -2.743 143 HG22 ILE 22 2HG2 ILE 22 -15.944 -0.945 -3.805 144 HG23 ILE 22 3HG2 ILE 22 -16.359 -1.614 -2.227 145 HD11 ILE 22 3HD1 ILE 22 -18.120 -2.532 -2.467 146 HD12 ILE 22 1HD1 ILE 22 -19.280 -3.114 -3.661 147 HD13 ILE 22 2HD1 ILE 22 -18.329 -4.265 -2.721 148 H CYS 23 H CYS 23 -13.481 -1.123 -4.498 149 HA CYS 23 HA CYS 23 -10.917 -2.290 -3.965 150 HB2 CYS 23 1HB CYS 23 -11.194 -0.123 -5.145 151 HB3 CYS 23 2HB CYS 23 -11.811 0.584 -3.656 152 HA PRO 24 HA PRO 24 -11.669 -2.840 0.391 153 HB2 PRO 24 1HB PRO 24 -9.188 -3.771 0.982 154 HB3 PRO 24 2HB PRO 24 -10.426 -4.764 0.204 155 HG2 PRO 24 1HG PRO 24 -8.117 -3.307 -1.024 156 HG3 PRO 24 2HG PRO 24 -8.719 -4.940 -1.365 157 HD2 PRO 24 1HD PRO 24 -9.290 -2.818 -2.946 158 HD3 PRO 24 2HD PRO 24 -10.420 -4.167 -2.715 159 H ILE 25 H ILE 25 -10.049 -0.432 -1.092 160 HA ILE 25 HA ILE 25 -8.849 0.607 1.385 161 HB ILE 25 HB ILE 25 -8.371 1.394 -1.490 162 HG12 ILE 25 1HG1 ILE 25 -6.545 0.160 0.584 163 HG13 ILE 25 2HG1 ILE 25 -7.288 -0.701 -0.760 164 HG21 ILE 25 1HG2 ILE 25 -8.271 3.397 -0.206 165 HG22 ILE 25 2HG2 ILE 25 -7.339 2.607 1.064 166 HG23 ILE 25 3HG2 ILE 25 -6.611 2.891 -0.517 167 HD11 ILE 25 3HD1 ILE 25 -5.216 -0.299 -1.611 168 HD12 ILE 25 1HD1 ILE 25 -6.069 1.134 -2.183 169 HD13 ILE 25 2HD1 ILE 25 -5.037 1.232 -0.755 170 H CYS 26 H CYS 26 -10.496 1.913 -1.502 171 HA CYS 26 HA CYS 26 -11.642 4.029 0.159 172 HB2 CYS 26 1HB CYS 26 -12.293 5.060 -1.993 173 HB3 CYS 26 2HB CYS 26 -10.563 4.747 -1.900 174 H LEU 27 H LEU 27 -12.494 1.086 -1.384 175 HA LEU 27 HA LEU 27 -14.421 -0.133 -1.341 176 HB2 LEU 27 1HB LEU 27 -15.723 2.125 0.154 177 HB3 LEU 27 2HB LEU 27 -16.178 0.422 0.142 178 HG LEU 27 HG LEU 27 -13.570 1.366 1.302 179 HD11 LEU 27 1HD1 LEU 27 -16.298 1.563 2.412 180 HD12 LEU 27 2HD1 LEU 27 -14.851 2.505 2.772 181 HD13 LEU 27 3HD1 LEU 27 -15.059 0.904 3.481 182 HD21 LEU 27 3HD2 LEU 27 -13.822 -0.744 2.593 183 HD22 LEU 27 1HD2 LEU 27 -13.670 -0.988 0.853 184 HD23 LEU 27 2HD2 LEU 27 -15.250 -1.117 1.626 185 H ASP 28 H ASP 28 -13.847 1.376 -3.562 186 HA ASP 28 HA ASP 28 -16.532 2.201 -4.451 187 HB2 ASP 28 1HB ASP 28 -13.979 3.361 -5.558 188 HB3 ASP 28 2HB ASP 28 -15.624 3.955 -5.764 189 H ILE 29 H ILE 29 -17.260 1.347 -6.325 190 HA ILE 29 HA ILE 29 -16.538 -1.012 -7.338 191 HB ILE 29 HB ILE 29 -17.453 1.322 -9.023 192 HG12 ILE 29 1HG1 ILE 29 -19.101 -0.911 -7.831 193 HG13 ILE 29 2HG1 ILE 29 -18.874 0.642 -7.035 194 HG21 ILE 29 1HG2 ILE 29 -18.069 -0.192 -10.707 195 HG22 ILE 29 2HG2 ILE 29 -16.444 -0.681 -10.229 196 HG23 ILE 29 3HG2 ILE 29 -17.843 -1.587 -9.653 197 HD11 ILE 29 3HD1 ILE 29 -20.115 0.232 -9.745 198 HD12 ILE 29 1HD1 ILE 29 -20.989 0.527 -8.243 199 HD13 ILE 29 2HD1 ILE 29 -19.928 1.771 -8.905 200 H LEU 30 H LEU 30 -14.519 -1.692 -7.714 201 HA LEU 30 HA LEU 30 -12.385 -0.138 -8.632 202 HB2 LEU 30 1HB LEU 30 -12.929 -3.061 -8.455 203 HB3 LEU 30 2HB LEU 30 -11.522 -2.514 -9.364 204 HG LEU 30 HG LEU 30 -11.900 -1.539 -6.570 205 HD11 LEU 30 1HD1 LEU 30 -12.246 -4.076 -6.700 206 HD12 LEU 30 2HD1 LEU 30 -11.030 -3.462 -5.580 207 HD13 LEU 30 3HD1 LEU 30 -10.537 -4.151 -7.126 208 HD21 LEU 30 3HD2 LEU 30 -9.352 -2.421 -7.857 209 HD22 LEU 30 1HD2 LEU 30 -9.621 -1.188 -6.626 210 HD23 LEU 30 2HD2 LEU 30 -10.072 -0.873 -8.301 211 H GLN 31 H GLN 31 -13.131 1.062 -10.423 212 HA GLN 31 HA GLN 31 -14.249 -0.011 -12.750 213 HB2 GLN 31 1HB GLN 31 -12.589 2.472 -12.315 214 HB3 GLN 31 2HB GLN 31 -13.367 2.087 -13.845 215 HG2 GLN 31 1HG GLN 31 -15.493 1.876 -12.281 216 HG3 GLN 31 2HG GLN 31 -14.551 2.980 -11.281 217 HE21 GLN 31 1HE2 GLN 31 -16.310 2.570 -14.223 218 HE22 GLN 31 2HE2 GLN 31 -16.301 4.228 -14.709 219 H LYS 32 H LYS 32 -10.870 0.551 -11.860 220 HA LYS 32 HA LYS 32 -10.078 -1.271 -14.023 221 HB2 LYS 32 1HB LYS 32 -8.956 1.456 -13.426 222 HB3 LYS 32 2HB LYS 32 -7.996 0.234 -14.250 223 HG2 LYS 32 1HG LYS 32 -9.393 0.227 -16.120 224 HG3 LYS 32 2HG LYS 32 -10.707 1.024 -15.253 225 HD2 LYS 32 1HD LYS 32 -9.801 2.701 -16.616 226 HD3 LYS 32 2HD LYS 32 -9.109 3.008 -15.021 227 HE2 LYS 32 1HE LYS 32 -7.391 3.209 -16.708 228 HE3 LYS 32 2HE LYS 32 -7.073 1.796 -15.704 229 HZ1 LYS 32 3HZ LYS 32 -7.022 1.736 -18.352 230 HZ2 LYS 32 1HZ LYS 32 -8.648 1.337 -18.104 231 HZ3 LYS 32 2HZ LYS 32 -7.429 0.391 -17.411 232 HA PRO 33 HA PRO 33 -8.252 -2.849 -10.166 233 HB2 PRO 33 1HB PRO 33 -8.101 -5.412 -11.049 234 HB3 PRO 33 2HB PRO 33 -9.579 -4.714 -10.378 235 HG2 PRO 33 1HG PRO 33 -8.799 -5.105 -13.241 236 HG3 PRO 33 2HG PRO 33 -10.362 -5.399 -12.457 237 HD2 PRO 33 1HD PRO 33 -9.862 -3.177 -13.921 238 HD3 PRO 33 2HD PRO 33 -10.956 -3.173 -12.523 239 H VAL 34 H VAL 34 -6.144 -2.560 -9.851 240 HA VAL 34 HA VAL 34 -4.276 -3.290 -12.010 241 HB VAL 34 HB VAL 34 -3.920 -1.248 -9.811 242 HG11 VAL 34 1HG1 VAL 34 -1.735 -1.480 -10.139 243 HG12 VAL 34 2HG1 VAL 34 -2.005 -2.644 -11.438 244 HG13 VAL 34 3HG1 VAL 34 -1.972 -0.917 -11.793 245 HG21 VAL 34 3HG2 VAL 34 -3.958 -0.666 -12.748 246 HG22 VAL 34 1HG2 VAL 34 -5.465 -0.786 -11.838 247 HG23 VAL 34 2HG2 VAL 34 -4.257 0.419 -11.390 248 H THR 35 H THR 35 -3.267 -5.142 -11.622 249 HA THR 35 HA THR 35 -2.971 -6.161 -8.933 250 HB THR 35 HB THR 35 -1.915 -7.351 -11.503 251 HG1 THR 35 1HG THR 35 -3.954 -8.707 -10.980 252 HG21 THR 35 3HG2 THR 35 -2.695 -9.232 -9.483 253 HG22 THR 35 1HG2 THR 35 -1.552 -8.073 -8.804 254 HG23 THR 35 2HG2 THR 35 -1.118 -9.004 -10.239 255 H ILE 36 H ILE 36 -1.212 -6.031 -7.690 256 HA ILE 36 HA ILE 36 1.216 -4.859 -8.860 257 HB ILE 36 HB ILE 36 1.844 -4.298 -6.524 258 HG12 ILE 36 1HG1 ILE 36 -0.958 -5.241 -5.874 259 HG13 ILE 36 2HG1 ILE 36 0.523 -6.077 -5.421 260 HG21 ILE 36 1HG2 ILE 36 -0.210 -3.136 -8.129 261 HG22 ILE 36 2HG2 ILE 36 -0.601 -2.896 -6.427 262 HG23 ILE 36 3HG2 ILE 36 0.948 -2.342 -7.062 263 HD11 ILE 36 3HD1 ILE 36 1.181 -4.153 -4.063 264 HD12 ILE 36 1HD1 ILE 36 -0.322 -3.340 -4.501 265 HD13 ILE 36 2HD1 ILE 36 -0.366 -4.827 -3.553 266 H ASP 37 H ASP 37 3.208 -5.510 -7.339 267 HA ASP 37 HA ASP 37 3.999 -8.039 -8.009 268 HB2 ASP 37 1HB ASP 37 4.849 -6.108 -5.911 269 HB3 ASP 37 2HB ASP 37 5.452 -7.759 -5.783 270 H CYS 38 H CYS 38 2.388 -7.035 -5.017 271 HA CYS 38 HA CYS 38 2.465 -9.546 -3.740 272 HB2 CYS 38 1HB CYS 38 1.183 -8.580 -2.093 273 HB3 CYS 38 2HB CYS 38 1.818 -7.132 -2.868 274 H GLY 39 H GLY 39 0.394 -8.225 -6.197 275 HA2 GLY 39 1HA GLY 39 -0.782 -9.785 -7.635 276 HA3 GLY 39 2HA GLY 39 -1.099 -10.770 -6.214 277 H HIS 40 H HIS 40 -2.081 -9.007 -4.411 278 HA HIS 40 HA HIS 40 -4.727 -8.842 -4.820 279 HB2 HIS 40 1HB HIS 40 -3.031 -6.762 -3.426 280 HB3 HIS 40 2HB HIS 40 -4.781 -6.888 -3.268 281 HD2 HIS 40 2HD HIS 40 -4.420 -10.348 -3.039 282 HE1 HIS 40 1HE HIS 40 -2.777 -9.176 0.693 283 HE2 HIS 40 2HE HIS 40 -3.647 -11.095 -0.686 284 H ASN 41 H ASN 41 -6.230 -7.206 -5.471 285 HA ASN 41 HA ASN 41 -5.175 -5.505 -7.629 286 HB2 ASN 41 1HB ASN 41 -7.878 -6.801 -7.259 287 HB3 ASN 41 2HB ASN 41 -7.564 -5.570 -8.479 288 HD21 ASN 41 1HD2 ASN 41 -6.925 -8.829 -7.459 289 HD22 ASN 41 2HD2 ASN 41 -6.260 -9.381 -8.956 290 H PHE 42 H PHE 42 -5.323 -3.368 -7.432 291 HA PHE 42 HA PHE 42 -7.206 -2.273 -5.448 292 HB2 PHE 42 1HB PHE 42 -4.373 -1.400 -6.035 293 HB3 PHE 42 2HB PHE 42 -5.505 -0.457 -5.071 294 HD1 PHE 42 1HD PHE 42 -6.624 -1.791 -3.089 295 HD2 PHE 42 2HD PHE 42 -2.941 -2.828 -4.953 296 HE1 PHE 42 1HE PHE 42 -5.966 -3.052 -1.081 297 HE2 PHE 42 2HE PHE 42 -2.278 -4.092 -2.949 298 HZ PHE 42 HZ PHE 42 -3.792 -4.206 -1.010 299 H CYS 43 H CYS 43 -7.548 0.153 -5.825 300 HA CYS 43 HA CYS 43 -8.165 0.508 -8.664 301 HB2 CYS 43 1HB CYS 43 -9.931 1.830 -8.036 302 HB3 CYS 43 2HB CYS 43 -9.801 0.827 -6.595 303 H LEU 44 H LEU 44 -7.315 2.100 -9.896 304 HA LEU 44 HA LEU 44 -4.863 3.185 -9.449 305 HB2 LEU 44 1HB LEU 44 -6.097 3.222 -11.595 306 HB3 LEU 44 2HB LEU 44 -7.086 4.540 -10.970 307 HG LEU 44 HG LEU 44 -4.777 5.741 -10.681 308 HD11 LEU 44 1HD1 LEU 44 -3.034 4.551 -11.376 309 HD12 LEU 44 2HD1 LEU 44 -3.641 4.770 -13.017 310 HD13 LEU 44 3HD1 LEU 44 -4.070 3.324 -12.104 311 HD21 LEU 44 3HD2 LEU 44 -4.989 6.594 -13.008 312 HD22 LEU 44 1HD2 LEU 44 -6.509 6.575 -12.115 313 HD23 LEU 44 2HD2 LEU 44 -6.179 5.329 -13.319 314 H LYS 45 H LYS 45 -7.921 4.966 -8.988 315 HA LYS 45 HA LYS 45 -7.054 7.326 -8.003 316 HB2 LYS 45 1HB LYS 45 -9.317 5.723 -6.796 317 HB3 LYS 45 2HB LYS 45 -9.107 7.466 -6.688 318 HG2 LYS 45 1HG LYS 45 -9.211 6.290 -9.401 319 HG3 LYS 45 2HG LYS 45 -10.710 6.314 -8.468 320 HD2 LYS 45 1HD LYS 45 -10.875 8.367 -9.435 321 HD3 LYS 45 2HD LYS 45 -9.920 8.819 -8.022 322 HE2 LYS 45 1HE LYS 45 -8.811 9.825 -9.819 323 HE3 LYS 45 2HE LYS 45 -7.874 8.369 -9.488 324 HZ1 LYS 45 3HZ LYS 45 -9.286 7.297 -11.278 325 HZ2 LYS 45 1HZ LYS 45 -8.134 8.423 -11.794 326 HZ3 LYS 45 2HZ LYS 45 -9.765 8.862 -11.707 327 H CYS 46 H CYS 46 -6.888 4.240 -6.392 328 HA CYS 46 HA CYS 46 -6.047 5.453 -3.880 329 HB2 CYS 46 1HB CYS 46 -6.890 2.745 -4.758 330 HB3 CYS 46 2HB CYS 46 -5.738 2.822 -3.430 331 H ILE 47 H ILE 47 -4.734 2.787 -5.852 332 HA ILE 47 HA ILE 47 -2.216 2.625 -4.891 333 HB ILE 47 HB ILE 47 -3.005 2.514 -7.803 334 HG12 ILE 47 1HG1 ILE 47 -2.548 0.280 -5.817 335 HG13 ILE 47 2HG1 ILE 47 -4.134 0.919 -6.234 336 HG21 ILE 47 1HG2 ILE 47 -0.484 1.569 -6.448 337 HG22 ILE 47 2HG2 ILE 47 -0.941 1.196 -8.109 338 HG23 ILE 47 3HG2 ILE 47 -0.620 2.865 -7.636 339 HD11 ILE 47 3HD1 ILE 47 -2.579 -1.064 -7.566 340 HD12 ILE 47 1HD1 ILE 47 -4.228 -0.532 -7.894 341 HD13 ILE 47 2HD1 ILE 47 -2.867 0.290 -8.658 342 H THR 48 H THR 48 -3.334 4.994 -7.281 343 HA THR 48 HA THR 48 -0.821 6.235 -7.671 344 HB THR 48 HB THR 48 -3.584 7.401 -8.068 345 HG1 THR 48 1HG THR 48 -2.825 6.837 -10.359 346 HG21 THR 48 3HG2 THR 48 -2.077 9.214 -8.070 347 HG22 THR 48 1HG2 THR 48 -2.313 8.813 -9.770 348 HG23 THR 48 2HG2 THR 48 -0.846 8.297 -8.938 349 H GLN 49 H GLN 49 -3.661 7.294 -5.785 350 HA GLN 49 HA GLN 49 -2.671 9.588 -4.673 351 HB2 GLN 49 1HB GLN 49 -4.959 8.888 -4.312 352 HB3 GLN 49 2HB GLN 49 -4.425 7.497 -3.377 353 HG2 GLN 49 1HG GLN 49 -5.054 8.947 -1.721 354 HG3 GLN 49 2HG GLN 49 -3.329 9.288 -1.845 355 HE21 GLN 49 1HE2 GLN 49 -2.770 11.082 -3.383 356 HE22 GLN 49 2HE2 GLN 49 -3.791 12.475 -3.366 357 H ILE 50 H ILE 50 -2.215 6.279 -3.474 358 HA ILE 50 HA ILE 50 -0.878 6.766 -1.124 359 HB ILE 50 HB ILE 50 -0.261 4.582 -3.118 360 HG12 ILE 50 1HG1 ILE 50 -1.981 4.350 -0.658 361 HG13 ILE 50 2HG1 ILE 50 -2.657 4.865 -2.199 362 HG21 ILE 50 1HG2 ILE 50 1.269 3.800 -1.712 363 HG22 ILE 50 2HG2 ILE 50 1.104 5.285 -0.778 364 HG23 ILE 50 3HG2 ILE 50 0.135 3.871 -0.364 365 HD11 ILE 50 3HD1 ILE 50 -2.161 2.239 -1.263 366 HD12 ILE 50 1HD1 ILE 50 -2.880 2.752 -2.790 367 HD13 ILE 50 2HD1 ILE 50 -1.135 2.529 -2.667 368 H GLY 51 H GLY 51 0.458 6.701 -4.407 369 HA2 GLY 51 1HA GLY 51 2.258 8.611 -4.431 370 HA3 GLY 51 2HA GLY 51 3.081 7.483 -3.363 371 H GLU 52 H GLU 52 1.781 7.907 -6.614 372 HA GLU 52 HA GLU 52 2.754 5.494 -7.697 373 HB2 GLU 52 1HB GLU 52 2.447 6.587 -9.888 374 HB3 GLU 52 2HB GLU 52 1.049 6.786 -8.840 375 HG2 GLU 52 1HG GLU 52 1.618 9.046 -8.374 376 HG3 GLU 52 2HG GLU 52 3.187 8.874 -9.158 377 H THR 53 H THR 53 4.153 8.741 -7.512 378 HA THR 53 HA THR 53 6.780 7.558 -8.094 379 HB THR 53 HB THR 53 7.407 9.578 -9.376 380 HG1 THR 53 1HG THR 53 5.314 10.715 -10.145 381 HG21 THR 53 3HG2 THR 53 5.723 7.459 -10.211 382 HG22 THR 53 1HG2 THR 53 6.865 8.390 -11.179 383 HG23 THR 53 2HG2 THR 53 5.188 8.918 -11.043 384 H SER 54 H SER 54 5.696 8.111 -5.548 385 HA SER 54 HA SER 54 7.225 10.482 -4.706 386 HB2 SER 54 1HB SER 54 4.722 9.209 -3.696 387 HB3 SER 54 2HB SER 54 5.774 10.009 -2.528 388 HG SER 54 HG SER 54 5.391 11.497 -4.777 389 H CYS 55 H CYS 55 6.407 7.165 -3.713 390 HA CYS 55 HA CYS 55 9.006 7.043 -2.329 391 HB2 CYS 55 1HB CYS 55 7.957 5.420 -0.762 392 HB3 CYS 55 2HB CYS 55 7.246 7.026 -0.671 393 HG CYS 55 HG CYS 55 5.730 4.204 -1.064 394 H GLY 56 H GLY 56 6.550 5.254 -4.138 395 HA2 GLY 56 1HA GLY 56 6.860 3.587 -5.717 396 HA3 GLY 56 2HA GLY 56 8.591 3.683 -5.428 397 H PHE 57 H PHE 57 8.713 3.147 -2.719 398 HA PHE 57 HA PHE 57 8.247 0.293 -2.745 399 HB2 PHE 57 1HB PHE 57 9.644 2.161 -0.838 400 HB3 PHE 57 2HB PHE 57 9.380 0.465 -0.448 401 HD1 PHE 57 2HD PHE 57 10.745 2.579 -3.200 402 HD2 PHE 57 1HD PHE 57 11.028 -1.041 -0.980 403 HE1 PHE 57 2HE PHE 57 12.786 1.983 -4.438 404 HE2 PHE 57 1HE PHE 57 13.070 -1.643 -2.213 405 HZ PHE 57 HZ PHE 57 13.951 -0.131 -3.946 406 H PHE 58 H PHE 58 5.838 1.607 -2.787 407 HA PHE 58 HA PHE 58 4.714 2.022 -0.217 408 HB2 PHE 58 1HB PHE 58 2.702 2.397 -1.312 409 HB3 PHE 58 2HB PHE 58 3.871 2.776 -2.573 410 HD1 PHE 58 1HD PHE 58 4.639 0.421 -3.821 411 HD2 PHE 58 2HD PHE 58 0.851 1.314 -2.096 412 HE1 PHE 58 1HE PHE 58 3.578 -1.233 -5.302 413 HE2 PHE 58 2HE PHE 58 -0.215 -0.339 -3.574 414 HZ PHE 58 HZ PHE 58 1.148 -1.616 -5.179 415 H LYS 59 H LYS 59 4.372 0.526 1.273 416 HA LYS 59 HA LYS 59 4.344 -2.272 0.643 417 HB2 LYS 59 1HB LYS 59 3.930 -0.744 3.213 418 HB3 LYS 59 2HB LYS 59 3.868 -2.500 3.123 419 HG2 LYS 59 1HG LYS 59 6.254 -0.962 2.161 420 HG3 LYS 59 2HG LYS 59 6.058 -1.418 3.855 421 HD2 LYS 59 1HD LYS 59 5.788 -3.469 1.689 422 HD3 LYS 59 2HD LYS 59 7.384 -2.980 2.263 423 HE2 LYS 59 1HE LYS 59 6.436 -3.451 4.613 424 HE3 LYS 59 2HE LYS 59 5.170 -4.335 3.764 425 HZ1 LYS 59 3HZ LYS 59 8.071 -4.867 3.434 426 HZ2 LYS 59 1HZ LYS 59 6.791 -5.782 2.812 427 HZ3 LYS 59 2HZ LYS 59 7.062 -5.732 4.481 428 H CYS 60 H CYS 60 2.606 -3.108 -0.326 429 HA CYS 60 HA CYS 60 0.098 -2.271 -0.623 430 HB2 CYS 60 1HB CYS 60 0.796 -4.379 -1.561 431 HB3 CYS 60 2HB CYS 60 0.937 -5.098 0.040 432 HA PRO 61 HA PRO 61 -1.711 -1.729 3.369 433 HB2 PRO 61 1HB PRO 61 -4.297 -1.510 2.573 434 HB3 PRO 61 2HB PRO 61 -3.111 -0.218 2.351 435 HG2 PRO 61 1HG PRO 61 -4.088 -2.251 0.383 436 HG3 PRO 61 2HG PRO 61 -3.801 -0.517 0.150 437 HD2 PRO 61 1HD PRO 61 -2.039 -2.406 -0.660 438 HD3 PRO 61 2HD PRO 61 -1.528 -0.799 -0.105 439 H LEU 62 H LEU 62 -3.062 -4.099 1.110 440 HA LEU 62 HA LEU 62 -4.565 -5.521 3.056 441 HB2 LEU 62 1HB LEU 62 -3.582 -6.217 0.304 442 HB3 LEU 62 2HB LEU 62 -4.512 -7.348 1.286 443 HG LEU 62 HG LEU 62 -5.504 -4.627 0.445 444 HD11 LEU 62 1HD1 LEU 62 -5.897 -7.337 -0.801 445 HD12 LEU 62 2HD1 LEU 62 -5.245 -5.881 -1.552 446 HD13 LEU 62 3HD1 LEU 62 -6.952 -5.958 -1.115 447 HD21 LEU 62 3HD2 LEU 62 -6.374 -6.185 2.488 448 HD22 LEU 62 1HD2 LEU 62 -7.366 -6.782 1.158 449 HD23 LEU 62 2HD2 LEU 62 -7.393 -5.069 1.578 450 H CYS 63 H CYS 63 -1.388 -6.074 1.567 451 HA CYS 63 HA CYS 63 -0.683 -7.743 3.876 452 HB2 CYS 63 1HB CYS 63 0.434 -9.366 2.437 453 HB3 CYS 63 2HB CYS 63 -1.271 -9.249 2.013 454 H LYS 64 H LYS 64 0.946 -6.752 4.851 455 HA LYS 64 HA LYS 64 2.570 -4.783 3.662 456 HB2 LYS 64 1HB LYS 64 3.023 -6.407 6.172 457 HB3 LYS 64 2HB LYS 64 3.938 -4.973 5.725 458 HG2 LYS 64 1HG LYS 64 0.965 -4.826 5.948 459 HG3 LYS 64 2HG LYS 64 1.967 -4.785 7.401 460 HD2 LYS 64 1HD LYS 64 2.506 -2.965 5.076 461 HD3 LYS 64 2HD LYS 64 1.319 -2.549 6.314 462 HE2 LYS 64 1HE LYS 64 4.190 -3.257 6.898 463 HE3 LYS 64 2HE LYS 64 3.607 -1.606 6.691 464 HZ1 LYS 64 3HZ LYS 64 3.744 -2.771 9.046 465 HZ2 LYS 64 1HZ LYS 64 2.191 -3.282 8.613 466 HZ3 LYS 64 2HZ LYS 64 2.550 -1.631 8.676 467 H THR 65 H THR 65 3.215 -5.969 1.714 468 HA THR 65 HA THR 65 5.489 -7.779 2.197 469 HB THR 65 HB THR 65 3.888 -7.549 -0.355 470 HG1 THR 65 1HG THR 65 3.723 -9.759 1.380 471 HG21 THR 65 3HG2 THR 65 5.401 -8.920 -1.249 472 HG22 THR 65 1HG2 THR 65 5.231 -10.053 0.091 473 HG23 THR 65 2HG2 THR 65 6.379 -8.720 0.203 474 H SER 66 H SER 66 7.446 -7.360 1.267 475 HA SER 66 HA SER 66 8.045 -4.682 0.580 476 HB2 SER 66 1HB SER 66 10.311 -5.571 0.044 477 HB3 SER 66 2HB SER 66 9.725 -6.091 1.624 478 HG SER 66 HG SER 66 9.199 -8.091 0.720 479 H VAL 67 H VAL 67 7.826 -3.666 -1.292 480 HA VAL 67 HA VAL 67 8.148 -5.124 -3.798 481 HB VAL 67 HB VAL 67 5.682 -3.484 -3.198 482 HG11 VAL 67 1HG1 VAL 67 6.543 -4.901 -5.718 483 HG12 VAL 67 2HG1 VAL 67 4.964 -4.157 -5.456 484 HG13 VAL 67 3HG1 VAL 67 6.417 -3.158 -5.484 485 HG21 VAL 67 3HG2 VAL 67 5.226 -5.514 -2.205 486 HG22 VAL 67 1HG2 VAL 67 4.637 -5.789 -3.844 487 HG23 VAL 67 2HG2 VAL 67 6.210 -6.420 -3.355 488 H ARG 68 H ARG 68 8.531 -3.757 -5.623 489 HA ARG 68 HA ARG 68 9.363 -1.030 -4.879 490 HB2 ARG 68 1HB ARG 68 10.602 -2.825 -6.974 491 HB3 ARG 68 2HB ARG 68 11.141 -1.208 -6.544 492 HG2 ARG 68 1HG ARG 68 12.616 -2.380 -5.303 493 HG3 ARG 68 2HG ARG 68 11.292 -2.341 -4.137 494 HD2 ARG 68 1HD ARG 68 10.684 -4.542 -4.566 495 HD3 ARG 68 2HD ARG 68 11.490 -4.560 -6.134 496 HE ARG 68 HE ARG 68 13.481 -5.067 -5.083 497 HH11 ARG 68 2HH1 ARG 68 11.055 -4.245 -2.726 498 HH12 ARG 68 1HH1 ARG 68 11.992 -4.796 -1.377 499 HH21 ARG 68 2HH2 ARG 68 14.725 -5.795 -3.316 500 HH22 ARG 68 1HH2 ARG 68 14.080 -5.676 -1.714 501 H LYS 69 H LYS 69 9.506 0.455 -6.821 502 HA LYS 69 HA LYS 69 7.297 -0.090 -8.694 503 HB2 LYS 69 1HB LYS 69 7.842 2.291 -6.989 504 HB3 LYS 69 2HB LYS 69 7.183 2.571 -8.595 505 HG2 LYS 69 1HG LYS 69 5.925 0.685 -6.624 506 HG3 LYS 69 2HG LYS 69 5.511 2.398 -6.722 507 HD2 LYS 69 1HD LYS 69 4.578 2.177 -8.844 508 HD3 LYS 69 2HD LYS 69 5.425 0.662 -9.163 509 HE2 LYS 69 1HE LYS 69 3.346 -0.162 -8.726 510 HE3 LYS 69 2HE LYS 69 3.995 -0.145 -7.086 511 HZ1 LYS 69 3HZ LYS 69 2.984 2.276 -7.160 512 HZ2 LYS 69 1HZ LYS 69 2.050 0.933 -6.729 513 HZ3 LYS 69 2HZ LYS 69 1.957 1.560 -8.297 514 H ASN 70 H ASN 70 8.011 -0.209 -10.709 515 HA ASN 70 HA ASN 70 10.495 1.164 -11.433 516 HB2 ASN 70 1HB ASN 70 10.217 -1.301 -11.876 517 HB3 ASN 70 2HB ASN 70 8.971 -0.886 -13.049 518 HD21 ASN 70 1HD2 ASN 70 9.545 -0.137 -15.025 519 HD22 ASN 70 2HD2 ASN 70 11.180 -0.004 -15.567 520 H ALA 71 H ALA 71 9.683 3.266 -11.676 521 HA ALA 71 HA ALA 71 8.081 3.648 -14.114 522 HB1 ALA 71 3HB ALA 71 7.081 4.133 -11.629 523 HB2 ALA 71 1HB ALA 71 7.722 5.716 -12.071 524 HB3 ALA 71 2HB ALA 71 6.536 4.924 -13.108 525 H ILE 72 H ILE 72 9.939 4.100 -15.313 526 HA ILE 72 HA ILE 72 11.459 6.486 -14.505 527 HB ILE 72 HB ILE 72 12.843 4.512 -14.872 528 HG12 ILE 72 1HG1 ILE 72 13.265 6.353 -17.222 529 HG13 ILE 72 2HG1 ILE 72 13.558 6.875 -15.566 530 HG21 ILE 72 1HG2 ILE 72 12.791 4.154 -17.648 531 HG22 ILE 72 2HG2 ILE 72 12.245 3.026 -16.408 532 HG23 ILE 72 3HG2 ILE 72 11.105 4.161 -17.130 533 HD11 ILE 72 3HD1 ILE 72 15.497 5.786 -15.453 534 HD12 ILE 72 1HD1 ILE 72 14.846 4.348 -16.240 535 HD13 ILE 72 2HD1 ILE 72 15.392 5.715 -17.212 536 H ARG 73 H ARG 73 11.567 8.260 -15.796 537 HA ARG 73 HA ARG 73 9.503 8.856 -17.545 538 HB2 ARG 73 1HB ARG 73 12.171 10.062 -16.982 539 HB3 ARG 73 2HB ARG 73 11.293 10.620 -18.400 540 HG2 ARG 73 1HG ARG 73 10.632 12.115 -16.774 541 HG3 ARG 73 2HG ARG 73 9.320 10.935 -16.761 542 HD2 ARG 73 1HD ARG 73 10.726 9.769 -14.921 543 HD3 ARG 73 2HD ARG 73 11.532 11.331 -14.784 544 HE ARG 73 HE ARG 73 9.718 12.063 -13.626 545 HH11 ARG 73 2HH1 ARG 73 8.714 9.435 -15.677 546 HH12 ARG 73 1HH1 ARG 73 7.081 9.434 -15.099 547 HH21 ARG 73 2HH2 ARG 73 7.570 12.072 -12.856 548 HH22 ARG 73 1HH2 ARG 73 6.431 10.936 -13.495 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -68.788 0.529 -14.204 2 HA2 GLY 1 1HA GLY 1 -66.158 1.575 -14.374 3 HA3 GLY 1 2HA GLY 1 -66.698 1.583 -12.702 4 H SER 2 H SER 2 -65.228 -0.223 -15.108 5 HA SER 2 HA SER 2 -65.015 -2.514 -13.384 6 HB2 SER 2 1HB SER 2 -67.194 -2.871 -14.607 7 HB3 SER 2 2HB SER 2 -66.265 -2.942 -16.104 8 HG SER 2 HG SER 2 -65.647 -4.597 -13.902 9 H SER 3 H SER 3 -63.330 -3.915 -13.973 10 HA SER 3 HA SER 3 -61.724 -3.090 -16.294 11 HB2 SER 3 1HB SER 3 -60.886 -2.190 -14.031 12 HB3 SER 3 2HB SER 3 -60.451 -3.861 -13.674 13 HG SER 3 HG SER 3 -59.627 -2.838 -16.125 14 H GLY 4 H GLY 4 -62.322 -5.582 -13.843 15 HA2 GLY 4 1HA GLY 4 -62.830 -7.797 -15.023 16 HA3 GLY 4 2HA GLY 4 -61.224 -7.587 -15.705 17 H SER 5 H SER 5 -60.160 -9.271 -14.803 18 HA SER 5 HA SER 5 -59.984 -9.287 -11.863 19 HB2 SER 5 1HB SER 5 -60.173 -11.636 -13.751 20 HB3 SER 5 2HB SER 5 -59.599 -11.794 -12.091 21 HG SER 5 HG SER 5 -61.791 -12.196 -12.108 22 H SER 6 H SER 6 -57.974 -9.589 -10.972 23 HA SER 6 HA SER 6 -55.734 -9.108 -12.749 24 HB2 SER 6 1HB SER 6 -54.481 -8.581 -10.793 25 HB3 SER 6 2HB SER 6 -56.092 -7.914 -10.528 26 HG SER 6 HG SER 6 -55.053 -9.224 -8.778 27 H GLY 7 H GLY 7 -54.118 -10.506 -13.227 28 HA2 GLY 7 1HA GLY 7 -54.590 -13.301 -12.750 29 HA3 GLY 7 2HA GLY 7 -53.255 -12.608 -13.658 30 H MET 8 H MET 8 -52.345 -14.567 -12.359 31 HA MET 8 HA MET 8 -50.977 -13.419 -10.044 32 HB2 MET 8 1HB MET 8 -52.395 -16.087 -10.046 33 HB3 MET 8 2HB MET 8 -51.249 -15.582 -8.811 34 HG2 MET 8 1HG MET 8 -52.671 -13.915 -8.006 35 HG3 MET 8 2HG MET 8 -53.676 -13.951 -9.453 36 HE1 MET 8 3HE MET 8 -54.398 -16.376 -10.242 37 HE2 MET 8 1HE MET 8 -55.297 -17.460 -9.180 38 HE3 MET 8 2HE MET 8 -55.953 -15.872 -9.578 39 H ALA 9 H ALA 9 -48.918 -14.275 -9.649 40 HA ALA 9 HA ALA 9 -47.918 -16.339 -11.455 41 HB1 ALA 9 3HB ALA 9 -47.426 -13.553 -11.850 42 HB2 ALA 9 1HB ALA 9 -45.914 -14.359 -11.435 43 HB3 ALA 9 2HB ALA 9 -46.869 -14.927 -12.805 44 H SER 10 H SER 10 -46.710 -17.729 -10.353 45 HA SER 10 HA SER 10 -45.468 -16.819 -7.841 46 HB2 SER 10 1HB SER 10 -47.182 -18.458 -7.388 47 HB3 SER 10 2HB SER 10 -46.528 -19.547 -8.610 48 HG SER 10 HG SER 10 -45.731 -19.132 -6.020 49 H GLY 11 H GLY 11 -43.497 -16.202 -8.735 50 HA2 GLY 11 1HA GLY 11 -41.451 -18.041 -8.814 51 HA3 GLY 11 2HA GLY 11 -42.000 -17.905 -10.478 52 H GLN 12 H GLN 12 -40.577 -16.175 -7.775 53 HA GLN 12 HA GLN 12 -40.009 -13.862 -9.452 54 HB2 GLN 12 1HB GLN 12 -39.641 -14.448 -6.523 55 HB3 GLN 12 2HB GLN 12 -38.916 -13.035 -7.279 56 HG2 GLN 12 1HG GLN 12 -41.851 -13.603 -7.487 57 HG3 GLN 12 2HG GLN 12 -41.161 -12.745 -6.111 58 HE21 GLN 12 1HE2 GLN 12 -42.209 -12.534 -9.337 59 HE22 GLN 12 2HE2 GLN 12 -41.798 -10.878 -9.612 60 H PHE 13 H PHE 13 -38.579 -14.959 -10.914 61 HA PHE 13 HA PHE 13 -35.977 -15.699 -9.768 62 HB2 PHE 13 1HB PHE 13 -37.338 -17.257 -11.342 63 HB3 PHE 13 2HB PHE 13 -36.768 -16.192 -12.623 64 HD1 PHE 13 2HD PHE 13 -35.354 -17.972 -9.660 65 HD2 PHE 13 1HD PHE 13 -34.898 -16.875 -13.747 66 HE1 PHE 13 2HE PHE 13 -33.242 -19.230 -9.759 67 HE2 PHE 13 1HE PHE 13 -32.786 -18.132 -13.853 68 HZ PHE 13 HZ PHE 13 -31.954 -19.310 -11.856 69 H VAL 14 H VAL 14 -36.563 -12.989 -9.878 70 HA VAL 14 HA VAL 14 -35.197 -11.947 -12.243 71 HB VAL 14 HB VAL 14 -37.289 -10.853 -11.445 72 HG11 VAL 14 1HG1 VAL 14 -37.573 -10.082 -9.361 73 HG12 VAL 14 2HG1 VAL 14 -36.206 -11.119 -8.949 74 HG13 VAL 14 3HG1 VAL 14 -35.945 -9.408 -9.288 75 HG21 VAL 14 3HG2 VAL 14 -35.696 -8.558 -11.091 76 HG22 VAL 14 1HG2 VAL 14 -34.804 -9.633 -12.168 77 HG23 VAL 14 2HG2 VAL 14 -36.447 -9.137 -12.578 78 H ASN 15 H ASN 15 -33.602 -13.466 -10.499 79 HA ASN 15 HA ASN 15 -31.971 -11.442 -9.125 80 HB2 ASN 15 1HB ASN 15 -30.885 -13.441 -8.034 81 HB3 ASN 15 2HB ASN 15 -32.586 -13.211 -7.636 82 HD21 ASN 15 1HD2 ASN 15 -34.146 -14.513 -8.812 83 HD22 ASN 15 2HD2 ASN 15 -33.696 -16.099 -9.327 84 H LYS 16 H LYS 16 -30.725 -10.617 -10.752 85 HA LYS 16 HA LYS 16 -29.296 -12.425 -12.533 86 HB2 LYS 16 1HB LYS 16 -29.641 -9.441 -12.409 87 HB3 LYS 16 2HB LYS 16 -28.404 -10.165 -13.427 88 HG2 LYS 16 1HG LYS 16 -30.255 -9.810 -14.824 89 HG3 LYS 16 2HG LYS 16 -30.254 -11.539 -14.470 90 HD2 LYS 16 1HD LYS 16 -31.946 -11.168 -12.727 91 HD3 LYS 16 2HD LYS 16 -31.960 -9.447 -13.118 92 HE2 LYS 16 1HE LYS 16 -33.809 -10.377 -14.247 93 HE3 LYS 16 2HE LYS 16 -32.572 -10.128 -15.479 94 HZ1 LYS 16 3HZ LYS 16 -31.997 -12.465 -15.329 95 HZ2 LYS 16 1HZ LYS 16 -33.638 -12.287 -15.701 96 HZ3 LYS 16 2HZ LYS 16 -33.168 -12.708 -14.132 97 H LEU 17 H LEU 17 -27.356 -13.187 -12.043 98 HA LEU 17 HA LEU 17 -25.913 -12.708 -9.770 99 HB2 LEU 17 1HB LEU 17 -25.599 -14.469 -11.633 100 HB3 LEU 17 2HB LEU 17 -24.512 -13.284 -12.355 101 HG LEU 17 HG LEU 17 -23.272 -14.956 -11.100 102 HD11 LEU 17 1HD1 LEU 17 -22.421 -12.656 -11.204 103 HD12 LEU 17 2HD1 LEU 17 -21.957 -13.468 -9.710 104 HD13 LEU 17 3HD1 LEU 17 -23.265 -12.286 -9.700 105 HD21 LEU 17 3HD2 LEU 17 -24.021 -14.139 -8.437 106 HD22 LEU 17 1HD2 LEU 17 -23.929 -15.757 -9.135 107 HD23 LEU 17 2HD2 LEU 17 -25.403 -14.803 -9.311 108 H GLN 18 H GLN 18 -25.188 -10.833 -9.014 109 HA GLN 18 HA GLN 18 -23.803 -9.021 -10.879 110 HB2 GLN 18 1HB GLN 18 -24.538 -7.210 -9.185 111 HB3 GLN 18 2HB GLN 18 -25.723 -7.818 -10.335 112 HG2 GLN 18 1HG GLN 18 -26.857 -9.036 -8.719 113 HG3 GLN 18 2HG GLN 18 -25.488 -9.021 -7.609 114 HE21 GLN 18 1HE2 GLN 18 -26.709 -8.218 -5.917 115 HE22 GLN 18 2HE2 GLN 18 -27.268 -6.584 -5.869 116 H GLU 19 H GLU 19 -21.832 -10.101 -10.325 117 HA GLU 19 HA GLU 19 -20.897 -9.648 -7.577 118 HB2 GLU 19 1HB GLU 19 -20.689 -11.944 -8.300 119 HB3 GLU 19 2HB GLU 19 -19.847 -11.450 -9.762 120 HG2 GLU 19 1HG GLU 19 -18.078 -10.476 -8.203 121 HG3 GLU 19 2HG GLU 19 -18.858 -11.420 -6.935 122 H GLU 20 H GLU 20 -20.530 -7.392 -7.920 123 HA GLU 20 HA GLU 20 -18.389 -6.707 -9.797 124 HB2 GLU 20 1HB GLU 20 -18.994 -4.359 -9.281 125 HB3 GLU 20 2HB GLU 20 -20.340 -5.288 -9.925 126 HG2 GLU 20 1HG GLU 20 -21.241 -5.563 -7.680 127 HG3 GLU 20 2HG GLU 20 -19.881 -4.657 -7.018 128 H VAL 21 H VAL 21 -16.370 -6.592 -9.099 129 HA VAL 21 HA VAL 21 -15.679 -6.824 -6.354 130 HB VAL 21 HB VAL 21 -13.920 -6.057 -8.689 131 HG11 VAL 21 1HG1 VAL 21 -13.404 -6.145 -5.890 132 HG12 VAL 21 2HG1 VAL 21 -12.515 -7.456 -6.669 133 HG13 VAL 21 3HG1 VAL 21 -12.288 -5.792 -7.209 134 HG21 VAL 21 3HG2 VAL 21 -13.431 -8.333 -8.986 135 HG22 VAL 21 1HG2 VAL 21 -14.156 -8.779 -7.441 136 HG23 VAL 21 2HG2 VAL 21 -15.183 -8.278 -8.785 137 H ILE 22 H ILE 22 -14.849 -5.331 -4.931 138 HA ILE 22 HA ILE 22 -14.967 -2.511 -5.779 139 HB ILE 22 HB ILE 22 -15.688 -3.528 -3.031 140 HG12 ILE 22 1HG1 ILE 22 -17.555 -2.559 -5.204 141 HG13 ILE 22 2HG1 ILE 22 -17.295 -4.254 -4.811 142 HG21 ILE 22 1HG2 ILE 22 -16.462 -1.297 -2.612 143 HG22 ILE 22 2HG2 ILE 22 -14.804 -1.212 -3.203 144 HG23 ILE 22 3HG2 ILE 22 -16.144 -0.825 -4.281 145 HD11 ILE 22 3HD1 ILE 22 -19.333 -3.008 -3.830 146 HD12 ILE 22 1HD1 ILE 22 -18.399 -4.089 -2.796 147 HD13 ILE 22 2HD1 ILE 22 -18.162 -2.345 -2.690 148 H CYS 23 H CYS 23 -13.515 -1.067 -4.758 149 HA CYS 23 HA CYS 23 -10.974 -2.247 -4.139 150 HB2 CYS 23 1HB CYS 23 -11.174 -0.159 -5.448 151 HB3 CYS 23 2HB CYS 23 -11.833 0.652 -4.031 152 HA PRO 24 HA PRO 24 -11.777 -2.526 0.233 153 HB2 PRO 24 1HB PRO 24 -9.317 -3.459 0.905 154 HB3 PRO 24 2HB PRO 24 -10.563 -4.476 0.173 155 HG2 PRO 24 1HG PRO 24 -8.218 -3.131 -1.113 156 HG3 PRO 24 2HG PRO 24 -8.843 -4.772 -1.364 157 HD2 PRO 24 1HD PRO 24 -9.364 -2.737 -3.073 158 HD3 PRO 24 2HD PRO 24 -10.517 -4.054 -2.776 159 H ILE 25 H ILE 25 -10.084 -0.244 -1.374 160 HA ILE 25 HA ILE 25 -8.883 0.919 1.044 161 HB ILE 25 HB ILE 25 -8.425 1.622 -1.857 162 HG12 ILE 25 1HG1 ILE 25 -6.630 0.270 0.170 163 HG13 ILE 25 2HG1 ILE 25 -7.431 -0.526 -1.180 164 HG21 ILE 25 1HG2 ILE 25 -8.231 3.590 -0.458 165 HG22 ILE 25 2HG2 ILE 25 -7.158 2.729 0.644 166 HG23 ILE 25 3HG2 ILE 25 -6.634 3.078 -1.003 167 HD11 ILE 25 3HD1 ILE 25 -5.157 -0.156 -1.767 168 HD12 ILE 25 1HD1 ILE 25 -6.149 0.950 -2.716 169 HD13 ILE 25 2HD1 ILE 25 -5.259 1.545 -1.315 170 H CYS 26 H CYS 26 -10.619 2.010 -1.879 171 HA CYS 26 HA CYS 26 -11.708 4.249 -0.332 172 HB2 CYS 26 1HB CYS 26 -12.413 5.116 -2.574 173 HB3 CYS 26 2HB CYS 26 -10.673 4.923 -2.394 174 H LEU 27 H LEU 27 -12.564 1.195 -1.535 175 HA LEU 27 HA LEU 27 -14.500 0.002 -1.465 176 HB2 LEU 27 1HB LEU 27 -15.787 2.359 -0.118 177 HB3 LEU 27 2HB LEU 27 -16.245 0.661 -0.011 178 HG LEU 27 HG LEU 27 -13.696 1.805 1.122 179 HD11 LEU 27 1HD1 LEU 27 -14.701 2.134 3.134 180 HD12 LEU 27 2HD1 LEU 27 -15.930 0.901 2.850 181 HD13 LEU 27 3HD1 LEU 27 -16.073 2.482 2.081 182 HD21 LEU 27 3HD2 LEU 27 -14.417 -0.816 0.540 183 HD22 LEU 27 1HD2 LEU 27 -14.705 -0.645 2.272 184 HD23 LEU 27 2HD2 LEU 27 -13.113 -0.286 1.604 185 H ASP 28 H ASP 28 -13.913 1.452 -3.765 186 HA ASP 28 HA ASP 28 -16.610 2.188 -4.700 187 HB2 ASP 28 1HB ASP 28 -14.048 3.283 -5.858 188 HB3 ASP 28 2HB ASP 28 -15.693 3.846 -6.141 189 H ILE 29 H ILE 29 -17.285 1.379 -6.654 190 HA ILE 29 HA ILE 29 -16.707 -1.077 -7.507 191 HB ILE 29 HB ILE 29 -17.281 1.241 -9.357 192 HG12 ILE 29 1HG1 ILE 29 -19.177 -0.781 -8.149 193 HG13 ILE 29 2HG1 ILE 29 -18.916 0.833 -7.496 194 HG21 ILE 29 1HG2 ILE 29 -17.369 -0.163 -11.087 195 HG22 ILE 29 2HG2 ILE 29 -16.504 -1.310 -10.066 196 HG23 ILE 29 3HG2 ILE 29 -18.264 -1.369 -10.163 197 HD11 ILE 29 3HD1 ILE 29 -20.445 1.633 -8.869 198 HD12 ILE 29 1HD1 ILE 29 -19.503 1.087 -10.256 199 HD13 ILE 29 2HD1 ILE 29 -20.701 0.017 -9.528 200 H LEU 30 H LEU 30 -14.916 -2.111 -8.056 201 HA LEU 30 HA LEU 30 -12.564 -0.677 -8.906 202 HB2 LEU 30 1HB LEU 30 -13.217 -3.457 -8.111 203 HB3 LEU 30 2HB LEU 30 -11.812 -3.222 -9.149 204 HG LEU 30 HG LEU 30 -12.198 -1.869 -6.481 205 HD11 LEU 30 1HD1 LEU 30 -11.993 -4.174 -6.007 206 HD12 LEU 30 2HD1 LEU 30 -10.391 -3.478 -5.766 207 HD13 LEU 30 3HD1 LEU 30 -10.743 -4.391 -7.232 208 HD21 LEU 30 3HD2 LEU 30 -10.745 -0.642 -7.982 209 HD22 LEU 30 1HD2 LEU 30 -9.820 -2.105 -8.321 210 HD23 LEU 30 2HD2 LEU 30 -9.792 -1.400 -6.705 211 H GLN 31 H GLN 31 -14.317 -0.131 -10.809 212 HA GLN 31 HA GLN 31 -14.827 -1.758 -12.918 213 HB2 GLN 31 1HB GLN 31 -15.426 0.665 -12.738 214 HB3 GLN 31 2HB GLN 31 -13.779 1.060 -13.211 215 HG2 GLN 31 1HG GLN 31 -15.235 1.234 -15.113 216 HG3 GLN 31 2HG GLN 31 -14.127 -0.118 -15.337 217 HE21 GLN 31 1HE2 GLN 31 -17.330 0.877 -15.363 218 HE22 GLN 31 2HE2 GLN 31 -18.081 -0.676 -15.460 219 H LYS 32 H LYS 32 -11.733 -0.292 -12.106 220 HA LYS 32 HA LYS 32 -10.483 -1.931 -14.213 221 HB2 LYS 32 1HB LYS 32 -8.706 -0.201 -14.339 222 HB3 LYS 32 2HB LYS 32 -10.287 0.395 -14.828 223 HG2 LYS 32 1HG LYS 32 -10.444 1.165 -12.337 224 HG3 LYS 32 2HG LYS 32 -8.684 1.043 -12.403 225 HD2 LYS 32 1HD LYS 32 -8.543 2.648 -14.134 226 HD3 LYS 32 2HD LYS 32 -10.279 2.576 -14.443 227 HE2 LYS 32 1HE LYS 32 -10.730 3.594 -12.289 228 HE3 LYS 32 2HE LYS 32 -9.011 3.588 -11.899 229 HZ1 LYS 32 3HZ LYS 32 -8.612 5.119 -13.705 230 HZ2 LYS 32 1HZ LYS 32 -9.781 5.762 -12.663 231 HZ3 LYS 32 2HZ LYS 32 -10.246 5.090 -14.144 232 HA PRO 33 HA PRO 33 -8.855 -3.436 -10.188 233 HB2 PRO 33 1HB PRO 33 -8.638 -6.016 -11.005 234 HB3 PRO 33 2HB PRO 33 -10.142 -5.330 -10.379 235 HG2 PRO 33 1HG PRO 33 -9.300 -5.774 -13.217 236 HG3 PRO 33 2HG PRO 33 -10.872 -6.080 -12.455 237 HD2 PRO 33 1HD PRO 33 -10.386 -3.884 -13.964 238 HD3 PRO 33 2HD PRO 33 -11.507 -3.868 -12.587 239 H VAL 34 H VAL 34 -6.744 -3.597 -9.675 240 HA VAL 34 HA VAL 34 -4.828 -4.156 -11.844 241 HB VAL 34 HB VAL 34 -4.510 -2.117 -9.636 242 HG11 VAL 34 1HG1 VAL 34 -2.612 -2.750 -11.889 243 HG12 VAL 34 2HG1 VAL 34 -2.362 -1.611 -10.565 244 HG13 VAL 34 3HG1 VAL 34 -2.424 -3.344 -10.240 245 HG21 VAL 34 3HG2 VAL 34 -4.162 -0.838 -12.038 246 HG22 VAL 34 1HG2 VAL 34 -5.469 -1.969 -12.387 247 HG23 VAL 34 2HG2 VAL 34 -5.633 -0.812 -11.066 248 H THR 35 H THR 35 -3.645 -5.893 -11.443 249 HA THR 35 HA THR 35 -3.446 -6.906 -8.712 250 HB THR 35 HB THR 35 -2.505 -8.233 -11.259 251 HG1 THR 35 1HG THR 35 -4.999 -7.784 -10.404 252 HG21 THR 35 3HG2 THR 35 -2.210 -10.168 -10.025 253 HG22 THR 35 1HG2 THR 35 -3.295 -9.639 -8.740 254 HG23 THR 35 2HG2 THR 35 -1.685 -8.933 -8.881 255 H ILE 36 H ILE 36 -1.707 -6.557 -7.509 256 HA ILE 36 HA ILE 36 0.748 -5.614 -8.802 257 HB ILE 36 HB ILE 36 1.445 -4.839 -6.609 258 HG12 ILE 36 1HG1 ILE 36 -1.175 -5.969 -5.603 259 HG13 ILE 36 2HG1 ILE 36 0.413 -6.659 -5.287 260 HG21 ILE 36 1HG2 ILE 36 0.341 -3.007 -7.206 261 HG22 ILE 36 2HG2 ILE 36 -0.933 -3.957 -7.969 262 HG23 ILE 36 3HG2 ILE 36 -1.022 -3.585 -6.248 263 HD11 ILE 36 3HD1 ILE 36 0.611 -5.370 -3.509 264 HD12 ILE 36 1HD1 ILE 36 0.481 -3.934 -4.523 265 HD13 ILE 36 2HD1 ILE 36 -0.971 -4.665 -3.838 266 H ASP 37 H ASP 37 2.760 -6.247 -7.310 267 HA ASP 37 HA ASP 37 3.399 -8.872 -7.844 268 HB2 ASP 37 1HB ASP 37 4.871 -6.861 -7.035 269 HB3 ASP 37 2HB ASP 37 4.576 -7.534 -5.434 270 H CYS 38 H CYS 38 2.054 -7.513 -4.864 271 HA CYS 38 HA CYS 38 2.148 -9.869 -3.330 272 HB2 CYS 38 1HB CYS 38 0.932 -8.714 -1.736 273 HB3 CYS 38 2HB CYS 38 1.636 -7.387 -2.654 274 H GLY 39 H GLY 39 -0.193 -8.650 -5.644 275 HA2 GLY 39 1HA GLY 39 -1.432 -10.393 -6.874 276 HA3 GLY 39 2HA GLY 39 -1.698 -11.174 -5.322 277 H HIS 40 H HIS 40 -2.495 -9.128 -3.722 278 HA HIS 40 HA HIS 40 -5.168 -8.910 -4.048 279 HB2 HIS 40 1HB HIS 40 -3.275 -6.872 -2.870 280 HB3 HIS 40 2HB HIS 40 -5.027 -6.756 -2.727 281 HD2 HIS 40 2HD HIS 40 -5.779 -9.752 -1.813 282 HE1 HIS 40 1HE HIS 40 -2.854 -9.209 1.212 283 HE2 HIS 40 2HE HIS 40 -4.786 -10.615 0.414 284 H ASN 41 H ASN 41 -6.634 -7.420 -4.924 285 HA ASN 41 HA ASN 41 -5.560 -5.898 -7.199 286 HB2 ASN 41 1HB ASN 41 -8.200 -7.243 -6.699 287 HB3 ASN 41 2HB ASN 41 -8.065 -5.960 -7.898 288 HD21 ASN 41 1HD2 ASN 41 -7.155 -9.198 -7.044 289 HD22 ASN 41 2HD2 ASN 41 -6.558 -9.657 -8.598 290 H PHE 42 H PHE 42 -5.770 -3.746 -7.286 291 HA PHE 42 HA PHE 42 -7.597 -2.441 -5.386 292 HB2 PHE 42 1HB PHE 42 -4.738 -1.669 -5.995 293 HB3 PHE 42 2HB PHE 42 -5.866 -0.650 -5.105 294 HD1 PHE 42 1HD PHE 42 -6.743 -1.421 -2.908 295 HD2 PHE 42 2HD PHE 42 -3.613 -3.457 -4.951 296 HE1 PHE 42 1HE PHE 42 -6.120 -2.556 -0.815 297 HE2 PHE 42 2HE PHE 42 -2.985 -4.596 -2.862 298 HZ PHE 42 HZ PHE 42 -4.240 -4.147 -0.791 299 H CYS 43 H CYS 43 -7.632 0.051 -5.991 300 HA CYS 43 HA CYS 43 -8.307 0.142 -8.845 301 HB2 CYS 43 1HB CYS 43 -9.969 1.650 -8.351 302 HB3 CYS 43 2HB CYS 43 -9.913 0.763 -6.831 303 H LEU 44 H LEU 44 -7.406 1.593 -10.223 304 HA LEU 44 HA LEU 44 -4.867 2.538 -9.884 305 HB2 LEU 44 1HB LEU 44 -6.218 2.439 -12.008 306 HB3 LEU 44 2HB LEU 44 -6.948 3.968 -11.523 307 HG LEU 44 HG LEU 44 -4.677 4.991 -11.559 308 HD11 LEU 44 1HD1 LEU 44 -3.353 3.175 -13.256 309 HD12 LEU 44 2HD1 LEU 44 -3.898 2.259 -11.852 310 HD13 LEU 44 3HD1 LEU 44 -2.887 3.688 -11.634 311 HD21 LEU 44 3HD2 LEU 44 -6.036 3.865 -13.953 312 HD22 LEU 44 1HD2 LEU 44 -4.473 4.652 -14.167 313 HD23 LEU 44 2HD2 LEU 44 -5.819 5.545 -13.459 314 H LYS 45 H LYS 45 -7.858 4.415 -9.426 315 HA LYS 45 HA LYS 45 -6.824 6.853 -8.732 316 HB2 LYS 45 1HB LYS 45 -9.102 6.951 -8.779 317 HB3 LYS 45 2HB LYS 45 -9.292 5.371 -8.030 318 HG2 LYS 45 1HG LYS 45 -9.223 6.211 -5.908 319 HG3 LYS 45 2HG LYS 45 -8.236 7.599 -6.371 320 HD2 LYS 45 1HD LYS 45 -10.287 8.409 -7.659 321 HD3 LYS 45 2HD LYS 45 -11.189 7.187 -6.760 322 HE2 LYS 45 1HE LYS 45 -9.443 9.140 -5.315 323 HE3 LYS 45 2HE LYS 45 -11.052 9.620 -5.852 324 HZ1 LYS 45 3HZ LYS 45 -10.501 8.391 -3.516 325 HZ2 LYS 45 1HZ LYS 45 -10.986 7.089 -4.481 326 HZ3 LYS 45 2HZ LYS 45 -12.019 8.410 -4.263 327 H CYS 46 H CYS 46 -6.775 3.912 -6.889 328 HA CYS 46 HA CYS 46 -5.882 5.292 -4.477 329 HB2 CYS 46 1HB CYS 46 -6.881 2.569 -5.116 330 HB3 CYS 46 2HB CYS 46 -5.724 2.700 -3.795 331 H ILE 47 H ILE 47 -4.732 2.362 -6.149 332 HA ILE 47 HA ILE 47 -2.230 2.143 -5.196 333 HB ILE 47 HB ILE 47 -2.963 1.869 -8.113 334 HG12 ILE 47 1HG1 ILE 47 -2.810 -0.275 -5.990 335 HG13 ILE 47 2HG1 ILE 47 -4.308 0.538 -6.432 336 HG21 ILE 47 1HG2 ILE 47 -0.825 0.223 -6.913 337 HG22 ILE 47 2HG2 ILE 47 -0.959 0.908 -8.532 338 HG23 ILE 47 3HG2 ILE 47 -0.450 1.925 -7.185 339 HD11 ILE 47 3HD1 ILE 47 -3.321 -0.289 -8.854 340 HD12 ILE 47 1HD1 ILE 47 -2.881 -1.607 -7.769 341 HD13 ILE 47 2HD1 ILE 47 -4.565 -1.103 -7.906 342 H THR 48 H THR 48 -3.237 4.423 -7.706 343 HA THR 48 HA THR 48 -0.633 5.464 -8.187 344 HB THR 48 HB THR 48 -3.329 6.714 -8.749 345 HG1 THR 48 1HG THR 48 -2.918 5.878 -10.867 346 HG21 THR 48 3HG2 THR 48 -0.787 7.878 -8.856 347 HG22 THR 48 1HG2 THR 48 -2.272 8.494 -9.580 348 HG23 THR 48 2HG2 THR 48 -1.187 7.474 -10.525 349 H GLN 49 H GLN 49 -3.382 6.572 -6.232 350 HA GLN 49 HA GLN 49 -2.282 8.986 -5.356 351 HB2 GLN 49 1HB GLN 49 -4.596 8.622 -4.987 352 HB3 GLN 49 2HB GLN 49 -4.298 7.121 -4.120 353 HG2 GLN 49 1HG GLN 49 -3.075 8.586 -2.408 354 HG3 GLN 49 2HG GLN 49 -3.893 9.937 -3.192 355 HE21 GLN 49 1HE2 GLN 49 -4.103 7.623 -0.810 356 HE22 GLN 49 2HE2 GLN 49 -5.798 7.718 -0.490 357 H ILE 50 H ILE 50 -2.248 5.794 -3.779 358 HA ILE 50 HA ILE 50 -0.880 6.388 -1.481 359 HB ILE 50 HB ILE 50 -0.494 3.921 -3.180 360 HG12 ILE 50 1HG1 ILE 50 -2.324 4.250 -0.806 361 HG13 ILE 50 2HG1 ILE 50 -2.864 4.558 -2.452 362 HG21 ILE 50 1HG2 ILE 50 -0.245 3.257 -0.494 363 HG22 ILE 50 2HG2 ILE 50 1.053 3.367 -1.682 364 HG23 ILE 50 3HG2 ILE 50 0.665 4.757 -0.669 365 HD11 ILE 50 3HD1 ILE 50 -2.631 2.078 -1.053 366 HD12 ILE 50 1HD1 ILE 50 -3.346 2.411 -2.631 367 HD13 ILE 50 2HD1 ILE 50 -1.624 2.048 -2.500 368 H GLY 51 H GLY 51 0.464 5.828 -4.706 369 HA2 GLY 51 1HA GLY 51 3.180 5.815 -4.007 370 HA3 GLY 51 2HA GLY 51 2.540 6.260 -5.582 371 H GLU 52 H GLU 52 3.722 8.029 -6.065 372 HA GLU 52 HA GLU 52 4.801 10.053 -5.741 373 HB2 GLU 52 1HB GLU 52 1.983 10.769 -4.915 374 HB3 GLU 52 2HB GLU 52 3.189 11.861 -5.581 375 HG2 GLU 52 1HG GLU 52 1.972 11.452 -7.451 376 HG3 GLU 52 2HG GLU 52 3.148 10.146 -7.577 377 H THR 53 H THR 53 5.237 8.482 -3.485 378 HA THR 53 HA THR 53 5.030 10.453 -1.301 379 HB THR 53 HB THR 53 5.183 7.440 -1.091 380 HG1 THR 53 1HG THR 53 3.113 9.340 -0.680 381 HG21 THR 53 3HG2 THR 53 5.863 9.511 0.791 382 HG22 THR 53 1HG2 THR 53 5.998 7.762 0.960 383 HG23 THR 53 2HG2 THR 53 4.490 8.574 1.377 384 H SER 54 H SER 54 7.055 7.785 -2.519 385 HA SER 54 HA SER 54 9.431 9.369 -1.898 386 HB2 SER 54 1HB SER 54 8.892 6.592 -0.837 387 HB3 SER 54 2HB SER 54 10.509 7.293 -0.910 388 HG SER 54 HG SER 54 9.008 9.104 0.222 389 H CYS 55 H CYS 55 11.447 8.003 -2.664 390 HA CYS 55 HA CYS 55 11.313 7.790 -5.427 391 HB2 CYS 55 1HB CYS 55 13.406 8.078 -4.120 392 HB3 CYS 55 2HB CYS 55 13.287 6.400 -3.605 393 HG CYS 55 HG CYS 55 15.202 7.070 -5.774 394 H GLY 56 H GLY 56 9.497 6.515 -5.962 395 HA2 GLY 56 1HA GLY 56 8.320 4.570 -6.363 396 HA3 GLY 56 2HA GLY 56 9.911 3.956 -6.789 397 H PHE 57 H PHE 57 7.575 4.286 -4.176 398 HA PHE 57 HA PHE 57 8.262 1.713 -3.138 399 HB2 PHE 57 1HB PHE 57 9.156 4.190 -1.690 400 HB3 PHE 57 2HB PHE 57 8.748 2.730 -0.795 401 HD1 PHE 57 1HD PHE 57 9.835 0.541 -2.107 402 HD2 PHE 57 2HD PHE 57 11.406 4.493 -1.936 403 HE1 PHE 57 1HE PHE 57 12.095 -0.343 -2.516 404 HE2 PHE 57 2HE PHE 57 13.668 3.615 -2.345 405 HZ PHE 57 HZ PHE 57 14.014 1.194 -2.636 406 H PHE 58 H PHE 58 6.289 0.940 -2.817 407 HA PHE 58 HA PHE 58 4.462 2.377 -1.069 408 HB2 PHE 58 1HB PHE 58 2.714 2.630 -2.545 409 HB3 PHE 58 2HB PHE 58 4.073 2.871 -3.639 410 HD1 PHE 58 1HD PHE 58 4.937 0.752 -4.865 411 HD2 PHE 58 2HD PHE 58 1.094 1.074 -3.063 412 HE1 PHE 58 1HE PHE 58 4.122 -1.085 -6.284 413 HE2 PHE 58 2HE PHE 58 0.274 -0.764 -4.479 414 HZ PHE 58 HZ PHE 58 1.788 -1.846 -6.092 415 H LYS 59 H LYS 59 3.834 0.971 0.414 416 HA LYS 59 HA LYS 59 3.965 -1.884 -0.134 417 HB2 LYS 59 1HB LYS 59 3.509 -0.297 2.392 418 HB3 LYS 59 2HB LYS 59 3.420 -2.053 2.335 419 HG2 LYS 59 1HG LYS 59 5.775 -2.011 1.416 420 HG3 LYS 59 2HG LYS 59 5.812 -0.301 1.856 421 HD2 LYS 59 1HD LYS 59 5.218 -2.557 3.771 422 HD3 LYS 59 2HD LYS 59 6.796 -1.788 3.583 423 HE2 LYS 59 1HE LYS 59 5.723 0.387 4.165 424 HE3 LYS 59 2HE LYS 59 4.234 -0.492 4.507 425 HZ1 LYS 59 3HZ LYS 59 5.344 -0.195 6.552 426 HZ2 LYS 59 1HZ LYS 59 6.829 -0.708 5.923 427 HZ3 LYS 59 2HZ LYS 59 5.571 -1.819 6.137 428 H CYS 60 H CYS 60 2.222 -3.320 0.237 429 HA CYS 60 HA CYS 60 -0.299 -2.326 -0.656 430 HB2 CYS 60 1HB CYS 60 0.540 -4.574 -1.251 431 HB3 CYS 60 2HB CYS 60 0.409 -5.057 0.437 432 HA PRO 61 HA PRO 61 -1.972 -1.255 3.300 433 HB2 PRO 61 1HB PRO 61 -4.544 -0.927 2.497 434 HB3 PRO 61 2HB PRO 61 -3.274 0.254 2.158 435 HG2 PRO 61 1HG PRO 61 -4.408 -1.870 0.380 436 HG3 PRO 61 2HG PRO 61 -4.005 -0.187 -0.005 437 HD2 PRO 61 1HD PRO 61 -2.384 -2.257 -0.652 438 HD3 PRO 61 2HD PRO 61 -1.759 -0.647 -0.243 439 H LEU 62 H LEU 62 -2.537 -4.089 1.586 440 HA LEU 62 HA LEU 62 -4.351 -5.142 3.648 441 HB2 LEU 62 1HB LEU 62 -3.752 -6.064 0.848 442 HB3 LEU 62 2HB LEU 62 -4.666 -7.030 2.004 443 HG LEU 62 HG LEU 62 -5.515 -4.271 1.147 444 HD11 LEU 62 1HD1 LEU 62 -5.304 -6.086 -0.703 445 HD12 LEU 62 2HD1 LEU 62 -6.778 -5.126 -0.580 446 HD13 LEU 62 3HD1 LEU 62 -6.740 -6.769 0.062 447 HD21 LEU 62 3HD2 LEU 62 -7.675 -5.920 1.842 448 HD22 LEU 62 1HD2 LEU 62 -7.028 -4.551 2.746 449 HD23 LEU 62 2HD2 LEU 62 -6.442 -6.181 3.076 450 H CYS 63 H CYS 63 -1.228 -5.516 2.147 451 HA CYS 63 HA CYS 63 -0.468 -7.378 4.266 452 HB2 CYS 63 1HB CYS 63 0.651 -8.887 2.700 453 HB3 CYS 63 2HB CYS 63 -1.071 -8.794 2.346 454 H LYS 64 H LYS 64 1.825 -7.503 4.615 455 HA LYS 64 HA LYS 64 3.138 -4.984 4.057 456 HB2 LYS 64 1HB LYS 64 3.767 -7.348 5.802 457 HB3 LYS 64 2HB LYS 64 4.983 -6.118 5.483 458 HG2 LYS 64 1HG LYS 64 2.312 -5.225 6.421 459 HG3 LYS 64 2HG LYS 64 3.393 -5.999 7.584 460 HD2 LYS 64 1HD LYS 64 4.398 -3.793 5.828 461 HD3 LYS 64 2HD LYS 64 3.468 -3.417 7.280 462 HE2 LYS 64 1HE LYS 64 5.874 -5.221 7.320 463 HE3 LYS 64 2HE LYS 64 6.001 -3.474 7.513 464 HZ1 LYS 64 3HZ LYS 64 4.285 -5.175 9.232 465 HZ2 LYS 64 1HZ LYS 64 4.711 -3.557 9.479 466 HZ3 LYS 64 2HZ LYS 64 5.880 -4.770 9.626 467 H THR 65 H THR 65 3.278 -5.402 1.723 468 HA THR 65 HA THR 65 5.481 -7.228 1.025 469 HB THR 65 HB THR 65 3.369 -7.724 -0.133 470 HG1 THR 65 1HG THR 65 4.297 -7.824 -2.178 471 HG21 THR 65 3HG2 THR 65 3.177 -5.679 -2.029 472 HG22 THR 65 1HG2 THR 65 3.334 -4.858 -0.477 473 HG23 THR 65 2HG2 THR 65 2.042 -6.032 -0.727 474 H SER 66 H SER 66 7.142 -6.513 -0.338 475 HA SER 66 HA SER 66 7.448 -3.587 -0.415 476 HB2 SER 66 1HB SER 66 9.452 -5.829 -0.224 477 HB3 SER 66 2HB SER 66 9.932 -4.207 -0.724 478 HG SER 66 HG SER 66 10.181 -4.302 1.471 479 H VAL 67 H VAL 67 6.378 -3.234 -2.368 480 HA VAL 67 HA VAL 67 7.465 -4.543 -4.755 481 HB VAL 67 HB VAL 67 5.075 -2.706 -4.586 482 HG11 VAL 67 1HG1 VAL 67 5.639 -4.763 -6.695 483 HG12 VAL 67 2HG1 VAL 67 4.557 -3.370 -6.763 484 HG13 VAL 67 3HG1 VAL 67 6.304 -3.133 -6.800 485 HG21 VAL 67 3HG2 VAL 67 4.046 -4.369 -3.510 486 HG22 VAL 67 1HG2 VAL 67 4.142 -5.268 -5.024 487 HG23 VAL 67 2HG2 VAL 67 5.384 -5.484 -3.791 488 H ARG 68 H ARG 68 8.551 -3.463 -6.322 489 HA ARG 68 HA ARG 68 9.074 -0.603 -5.842 490 HB2 ARG 68 1HB ARG 68 10.851 -2.798 -6.882 491 HB3 ARG 68 2HB ARG 68 11.216 -1.104 -7.177 492 HG2 ARG 68 1HG ARG 68 11.282 -0.698 -4.767 493 HG3 ARG 68 2HG ARG 68 10.927 -2.403 -4.476 494 HD2 ARG 68 1HD ARG 68 12.995 -3.043 -5.580 495 HD3 ARG 68 2HD ARG 68 13.338 -1.354 -5.955 496 HE ARG 68 HE ARG 68 13.010 -1.967 -3.144 497 HH11 ARG 68 2HH1 ARG 68 15.211 -1.589 -5.815 498 HH12 ARG 68 1HH1 ARG 68 16.592 -1.311 -4.807 499 HH21 ARG 68 2HH2 ARG 68 14.821 -1.601 -1.806 500 HH22 ARG 68 1HH2 ARG 68 16.370 -1.319 -2.527 501 H LYS 69 H LYS 69 8.391 0.759 -7.351 502 HA LYS 69 HA LYS 69 7.830 -0.300 -10.044 503 HB2 LYS 69 1HB LYS 69 6.123 1.496 -10.221 504 HB3 LYS 69 2HB LYS 69 5.776 0.334 -8.947 505 HG2 LYS 69 1HG LYS 69 7.089 2.128 -7.491 506 HG3 LYS 69 2HG LYS 69 6.497 3.199 -8.763 507 HD2 LYS 69 1HD LYS 69 4.300 2.895 -8.186 508 HD3 LYS 69 2HD LYS 69 4.584 1.282 -7.528 509 HE2 LYS 69 1HE LYS 69 4.102 2.696 -5.687 510 HE3 LYS 69 2HE LYS 69 5.837 2.388 -5.648 511 HZ1 LYS 69 3HZ LYS 69 5.585 4.640 -7.169 512 HZ2 LYS 69 1HZ LYS 69 6.062 4.582 -5.547 513 HZ3 LYS 69 2HZ LYS 69 4.442 4.863 -5.942 514 H ASN 70 H ASN 70 9.912 0.181 -10.823 515 HA ASN 70 HA ASN 70 10.351 3.048 -11.305 516 HB2 ASN 70 1HB ASN 70 12.802 2.650 -11.104 517 HB3 ASN 70 2HB ASN 70 11.936 2.410 -9.590 518 HD21 ASN 70 1HD2 ASN 70 14.297 1.199 -11.465 519 HD22 ASN 70 2HD2 ASN 70 14.259 -0.457 -10.972 520 H ALA 71 H ALA 71 9.751 3.119 -13.406 521 HA ALA 71 HA ALA 71 11.290 1.446 -15.275 522 HB1 ALA 71 3HB ALA 71 9.180 1.555 -16.745 523 HB2 ALA 71 1HB ALA 71 9.205 0.421 -15.393 524 HB3 ALA 71 2HB ALA 71 8.337 1.950 -15.247 525 H ILE 72 H ILE 72 10.903 2.394 -17.616 526 HA ILE 72 HA ILE 72 11.758 5.170 -17.460 527 HB ILE 72 HB ILE 72 11.620 3.309 -19.836 528 HG12 ILE 72 1HG1 ILE 72 14.233 3.673 -19.465 529 HG13 ILE 72 2HG1 ILE 72 13.712 3.924 -17.802 530 HG21 ILE 72 1HG2 ILE 72 13.114 5.007 -20.893 531 HG22 ILE 72 2HG2 ILE 72 11.468 5.567 -20.601 532 HG23 ILE 72 3HG2 ILE 72 12.775 6.074 -19.531 533 HD11 ILE 72 3HD1 ILE 72 13.651 1.740 -17.506 534 HD12 ILE 72 1HD1 ILE 72 12.418 1.602 -18.760 535 HD13 ILE 72 2HD1 ILE 72 14.127 1.488 -19.186 536 H ARG 73 H ARG 73 10.061 6.522 -17.231 537 HA ARG 73 HA ARG 73 7.558 6.115 -18.561 538 HB2 ARG 73 1HB ARG 73 6.837 8.109 -17.494 539 HB3 ARG 73 2HB ARG 73 7.882 7.287 -16.343 540 HG2 ARG 73 1HG ARG 73 9.663 8.798 -16.745 541 HG3 ARG 73 2HG ARG 73 8.843 9.491 -18.145 542 HD2 ARG 73 1HD ARG 73 6.989 10.131 -16.488 543 HD3 ARG 73 2HD ARG 73 8.183 9.797 -15.234 544 HE ARG 73 HE ARG 73 9.503 11.489 -16.853 545 HH11 ARG 73 2HH1 ARG 73 6.342 11.614 -15.401 546 HH12 ARG 73 1HH1 ARG 73 6.315 13.343 -15.295 547 HH21 ARG 73 2HH2 ARG 73 9.481 13.766 -16.719 548 HH22 ARG 73 1HH2 ARG 73 8.101 14.566 -16.046 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -25.959 36.131 -6.841 2 HA2 GLY 1 1HA GLY 1 -27.414 37.181 -8.443 3 HA3 GLY 1 2HA GLY 1 -27.302 35.733 -9.432 4 H SER 2 H SER 2 -28.758 34.120 -9.159 5 HA SER 2 HA SER 2 -30.278 33.698 -6.816 6 HB2 SER 2 1HB SER 2 -31.379 35.788 -7.469 7 HB3 SER 2 2HB SER 2 -31.717 35.125 -9.067 8 HG SER 2 HG SER 2 -32.739 33.363 -7.576 9 H SER 3 H SER 3 -31.399 31.785 -6.898 10 HA SER 3 HA SER 3 -32.074 30.505 -9.372 11 HB2 SER 3 1HB SER 3 -29.531 30.165 -9.038 12 HB3 SER 3 2HB SER 3 -29.994 29.060 -7.744 13 HG SER 3 HG SER 3 -30.440 27.634 -9.207 14 H GLY 4 H GLY 4 -32.859 28.204 -8.945 15 HA2 GLY 4 1HA GLY 4 -34.176 28.153 -6.300 16 HA3 GLY 4 2HA GLY 4 -34.926 27.569 -7.779 17 H SER 5 H SER 5 -35.306 25.529 -6.862 18 HA SER 5 HA SER 5 -33.141 23.681 -7.188 19 HB2 SER 5 1HB SER 5 -33.206 22.765 -4.894 20 HB3 SER 5 2HB SER 5 -32.644 24.436 -4.913 21 HG SER 5 HG SER 5 -34.500 25.093 -4.020 22 H SER 6 H SER 6 -34.091 22.109 -8.283 23 HA SER 6 HA SER 6 -36.343 20.693 -7.235 24 HB2 SER 6 1HB SER 6 -37.377 22.729 -8.357 25 HB3 SER 6 2HB SER 6 -36.797 22.069 -9.886 26 HG SER 6 HG SER 6 -38.358 20.662 -9.849 27 H GLY 7 H GLY 7 -36.412 18.638 -8.000 28 HA2 GLY 7 1HA GLY 7 -36.052 17.351 -10.205 29 HA3 GLY 7 2HA GLY 7 -34.411 17.959 -10.049 30 H MET 8 H MET 8 -34.618 15.326 -10.235 31 HA MET 8 HA MET 8 -33.747 14.435 -7.618 32 HB2 MET 8 1HB MET 8 -36.242 13.471 -8.934 33 HB3 MET 8 2HB MET 8 -35.250 12.297 -8.081 34 HG2 MET 8 1HG MET 8 -36.312 14.836 -6.868 35 HG3 MET 8 2HG MET 8 -37.070 13.253 -6.713 36 HE1 MET 8 3HE MET 8 -35.825 12.775 -3.250 37 HE2 MET 8 1HE MET 8 -36.799 14.084 -3.919 38 HE3 MET 8 2HE MET 8 -37.036 12.431 -4.485 39 H ALA 9 H ALA 9 -33.103 11.990 -7.819 40 HA ALA 9 HA ALA 9 -31.741 11.649 -10.412 41 HB1 ALA 9 3HB ALA 9 -29.810 11.553 -9.327 42 HB2 ALA 9 1HB ALA 9 -30.647 11.810 -7.796 43 HB3 ALA 9 2HB ALA 9 -30.395 10.171 -8.400 44 H SER 10 H SER 10 -31.741 9.642 -11.358 45 HA SER 10 HA SER 10 -33.164 7.483 -9.965 46 HB2 SER 10 1HB SER 10 -34.544 7.009 -11.849 47 HB3 SER 10 2HB SER 10 -34.665 8.748 -11.584 48 HG SER 10 HG SER 10 -34.190 8.751 -13.654 49 H GLY 11 H GLY 11 -32.440 5.429 -10.379 50 HA2 GLY 11 1HA GLY 11 -31.027 4.446 -12.500 51 HA3 GLY 11 2HA GLY 11 -29.803 5.212 -11.498 52 H GLN 12 H GLN 12 -31.693 2.438 -11.998 53 HA GLN 12 HA GLN 12 -30.470 1.181 -9.661 54 HB2 GLN 12 1HB GLN 12 -32.497 0.198 -8.886 55 HB3 GLN 12 2HB GLN 12 -32.804 1.919 -9.071 56 HG2 GLN 12 1HG GLN 12 -34.202 1.623 -10.858 57 HG3 GLN 12 2HG GLN 12 -33.456 0.097 -11.328 58 HE21 GLN 12 1HE2 GLN 12 -36.235 1.274 -10.349 59 HE22 GLN 12 2HE2 GLN 12 -36.835 -0.022 -9.377 60 H PHE 13 H PHE 13 -30.400 -1.148 -9.785 61 HA PHE 13 HA PHE 13 -29.875 -2.060 -12.443 62 HB2 PHE 13 1HB PHE 13 -30.027 -3.802 -9.987 63 HB3 PHE 13 2HB PHE 13 -29.067 -4.052 -11.441 64 HD1 PHE 13 1HD PHE 13 -27.375 -2.050 -11.943 65 HD2 PHE 13 2HD PHE 13 -28.937 -3.065 -8.116 66 HE1 PHE 13 1HE PHE 13 -25.460 -0.938 -10.871 67 HE2 PHE 13 2HE PHE 13 -27.025 -1.953 -7.037 68 HZ PHE 13 HZ PHE 13 -25.284 -0.887 -8.415 69 H VAL 14 H VAL 14 -31.101 -3.264 -13.771 70 HA VAL 14 HA VAL 14 -33.725 -4.153 -12.762 71 HB VAL 14 HB VAL 14 -33.006 -3.276 -15.563 72 HG11 VAL 14 1HG1 VAL 14 -35.336 -3.579 -16.103 73 HG12 VAL 14 2HG1 VAL 14 -34.685 -5.093 -15.472 74 HG13 VAL 14 3HG1 VAL 14 -35.693 -4.070 -14.447 75 HG21 VAL 14 3HG2 VAL 14 -33.400 -1.625 -13.495 76 HG22 VAL 14 1HG2 VAL 14 -33.927 -1.247 -15.136 77 HG23 VAL 14 2HG2 VAL 14 -35.079 -1.892 -13.966 78 H ASN 15 H ASN 15 -33.088 -6.238 -12.220 79 HA ASN 15 HA ASN 15 -32.426 -8.409 -12.518 80 HB2 ASN 15 1HB ASN 15 -34.668 -8.150 -13.743 81 HB3 ASN 15 2HB ASN 15 -33.721 -8.168 -15.228 82 HD21 ASN 15 1HD2 ASN 15 -35.465 -10.068 -15.144 83 HD22 ASN 15 2HD2 ASN 15 -34.779 -11.600 -14.735 84 H LYS 16 H LYS 16 -30.381 -6.623 -13.181 85 HA LYS 16 HA LYS 16 -29.106 -7.969 -15.472 86 HB2 LYS 16 1HB LYS 16 -29.600 -5.366 -15.421 87 HB3 LYS 16 2HB LYS 16 -28.117 -5.335 -14.475 88 HG2 LYS 16 1HG LYS 16 -27.511 -4.932 -16.724 89 HG3 LYS 16 2HG LYS 16 -27.011 -6.583 -16.349 90 HD2 LYS 16 1HD LYS 16 -29.049 -7.430 -17.431 91 HD3 LYS 16 2HD LYS 16 -29.515 -5.775 -17.830 92 HE2 LYS 16 1HE LYS 16 -28.498 -6.789 -19.759 93 HE3 LYS 16 2HE LYS 16 -27.417 -5.547 -19.128 94 HZ1 LYS 16 3HZ LYS 16 -26.007 -7.171 -18.206 95 HZ2 LYS 16 1HZ LYS 16 -26.355 -7.715 -19.770 96 HZ3 LYS 16 2HZ LYS 16 -27.131 -8.414 -18.440 97 H LEU 17 H LEU 17 -26.852 -8.432 -15.311 98 HA LEU 17 HA LEU 17 -26.037 -9.019 -12.568 99 HB2 LEU 17 1HB LEU 17 -24.385 -10.489 -13.560 100 HB3 LEU 17 2HB LEU 17 -25.992 -10.834 -14.197 101 HG LEU 17 HG LEU 17 -25.189 -9.258 -16.152 102 HD11 LEU 17 1HD1 LEU 17 -22.745 -9.835 -14.635 103 HD12 LEU 17 2HD1 LEU 17 -23.092 -8.547 -15.789 104 HD13 LEU 17 3HD1 LEU 17 -22.638 -10.150 -16.367 105 HD21 LEU 17 3HD2 LEU 17 -25.399 -11.175 -17.245 106 HD22 LEU 17 1HD2 LEU 17 -25.324 -12.041 -15.711 107 HD23 LEU 17 2HD2 LEU 17 -23.846 -11.733 -16.623 108 H GLN 18 H GLN 18 -23.903 -8.546 -11.816 109 HA GLN 18 HA GLN 18 -22.522 -6.399 -13.271 110 HB2 GLN 18 1HB GLN 18 -23.501 -6.389 -10.440 111 HB3 GLN 18 2HB GLN 18 -22.054 -5.484 -10.863 112 HG2 GLN 18 1HG GLN 18 -24.548 -5.113 -12.456 113 HG3 GLN 18 2HG GLN 18 -24.379 -4.327 -10.887 114 HE21 GLN 18 1HE2 GLN 18 -22.851 -2.710 -10.620 115 HE22 GLN 18 2HE2 GLN 18 -22.086 -1.931 -11.959 116 H GLU 19 H GLU 19 -20.780 -7.582 -13.899 117 HA GLU 19 HA GLU 19 -19.386 -9.248 -11.960 118 HB2 GLU 19 1HB GLU 19 -19.274 -8.886 -14.919 119 HB3 GLU 19 2HB GLU 19 -17.843 -9.500 -14.103 120 HG2 GLU 19 1HG GLU 19 -18.984 -11.407 -13.319 121 HG3 GLU 19 2HG GLU 19 -20.556 -10.732 -13.746 122 H GLU 20 H GLU 20 -19.306 -6.639 -11.177 123 HA GLU 20 HA GLU 20 -16.593 -5.744 -11.888 124 HB2 GLU 20 1HB GLU 20 -18.848 -4.149 -10.658 125 HB3 GLU 20 2HB GLU 20 -17.265 -3.524 -11.098 126 HG2 GLU 20 1HG GLU 20 -17.842 -4.333 -13.470 127 HG3 GLU 20 2HG GLU 20 -19.501 -4.402 -12.878 128 H VAL 21 H VAL 21 -15.129 -5.204 -10.268 129 HA VAL 21 HA VAL 21 -15.732 -6.392 -7.652 130 HB VAL 21 HB VAL 21 -13.772 -7.299 -8.822 131 HG11 VAL 21 1HG1 VAL 21 -13.281 -4.575 -9.410 132 HG12 VAL 21 2HG1 VAL 21 -11.919 -5.169 -8.458 133 HG13 VAL 21 3HG1 VAL 21 -12.379 -5.991 -9.949 134 HG21 VAL 21 3HG2 VAL 21 -13.845 -7.242 -6.359 135 HG22 VAL 21 1HG2 VAL 21 -12.199 -7.139 -6.985 136 HG23 VAL 21 2HG2 VAL 21 -13.007 -5.690 -6.386 137 H ILE 22 H ILE 22 -14.877 -5.332 -5.726 138 HA ILE 22 HA ILE 22 -14.978 -2.400 -5.987 139 HB ILE 22 HB ILE 22 -15.628 -4.087 -3.567 140 HG12 ILE 22 1HG1 ILE 22 -17.219 -4.093 -5.613 141 HG13 ILE 22 2HG1 ILE 22 -17.900 -3.772 -4.022 142 HG21 ILE 22 1HG2 ILE 22 -15.663 -1.123 -4.056 143 HG22 ILE 22 2HG2 ILE 22 -16.586 -1.878 -2.758 144 HG23 ILE 22 3HG2 ILE 22 -14.828 -2.016 -2.785 145 HD11 ILE 22 3HD1 ILE 22 -18.840 -2.259 -5.631 146 HD12 ILE 22 1HD1 ILE 22 -17.814 -1.360 -4.513 147 HD13 ILE 22 2HD1 ILE 22 -17.232 -1.739 -6.135 148 H CYS 23 H CYS 23 -13.611 -1.129 -4.628 149 HA CYS 23 HA CYS 23 -10.987 -2.287 -4.311 150 HB2 CYS 23 1HB CYS 23 -11.346 0.009 -5.219 151 HB3 CYS 23 2HB CYS 23 -11.929 0.507 -3.634 152 HA PRO 24 HA PRO 24 -11.674 -3.373 -0.052 153 HB2 PRO 24 1HB PRO 24 -9.140 -4.214 0.441 154 HB3 PRO 24 2HB PRO 24 -10.315 -5.180 -0.460 155 HG2 PRO 24 1HG PRO 24 -8.100 -3.449 -1.489 156 HG3 PRO 24 2HG PRO 24 -8.600 -5.063 -2.026 157 HD2 PRO 24 1HD PRO 24 -9.302 -2.805 -3.346 158 HD3 PRO 24 2HD PRO 24 -10.346 -4.239 -3.286 159 H ILE 25 H ILE 25 -10.291 -0.685 -1.202 160 HA ILE 25 HA ILE 25 -9.188 0.126 1.408 161 HB ILE 25 HB ILE 25 -8.605 1.284 -1.321 162 HG12 ILE 25 1HG1 ILE 25 -6.906 -0.349 0.577 163 HG13 ILE 25 2HG1 ILE 25 -7.527 -0.876 -0.983 164 HG21 ILE 25 1HG2 ILE 25 -7.563 2.039 1.405 165 HG22 ILE 25 2HG2 ILE 25 -6.913 2.634 -0.122 166 HG23 ILE 25 3HG2 ILE 25 -8.568 3.025 0.344 167 HD11 ILE 25 3HD1 ILE 25 -5.345 -0.340 -1.467 168 HD12 ILE 25 1HD1 ILE 25 -6.195 1.140 -1.909 169 HD13 ILE 25 2HD1 ILE 25 -5.330 1.044 -0.374 170 H CYS 26 H CYS 26 -10.757 1.610 -1.437 171 HA CYS 26 HA CYS 26 -12.098 3.498 0.359 172 HB2 CYS 26 1HB CYS 26 -12.647 4.726 -1.748 173 HB3 CYS 26 2HB CYS 26 -10.920 4.556 -1.455 174 H LEU 27 H LEU 27 -12.707 0.549 -0.845 175 HA LEU 27 HA LEU 27 -14.564 -0.688 -1.295 176 HB2 LEU 27 1HB LEU 27 -15.935 1.488 0.276 177 HB3 LEU 27 2HB LEU 27 -16.565 -0.129 -0.034 178 HG LEU 27 HG LEU 27 -14.161 0.552 1.658 179 HD11 LEU 27 1HD1 LEU 27 -15.493 -0.080 3.531 180 HD12 LEU 27 2HD1 LEU 27 -16.820 -0.591 2.488 181 HD13 LEU 27 3HD1 LEU 27 -16.401 1.118 2.608 182 HD21 LEU 27 3HD2 LEU 27 -14.597 -1.965 2.275 183 HD22 LEU 27 1HD2 LEU 27 -13.603 -1.531 0.884 184 HD23 LEU 27 2HD2 LEU 27 -15.282 -2.017 0.651 185 H ASP 28 H ASP 28 -13.827 1.423 -3.190 186 HA ASP 28 HA ASP 28 -16.445 2.161 -4.294 187 HB2 ASP 28 1HB ASP 28 -15.418 3.912 -5.422 188 HB3 ASP 28 2HB ASP 28 -14.469 3.830 -3.940 189 H ILE 29 H ILE 29 -16.745 1.956 -6.639 190 HA ILE 29 HA ILE 29 -16.297 -0.662 -7.531 191 HB ILE 29 HB ILE 29 -17.000 1.773 -9.175 192 HG12 ILE 29 1HG1 ILE 29 -18.868 -0.347 -8.119 193 HG13 ILE 29 2HG1 ILE 29 -18.518 1.128 -7.223 194 HG21 ILE 29 1HG2 ILE 29 -17.487 0.417 -10.954 195 HG22 ILE 29 2HG2 ILE 29 -16.118 -0.451 -10.263 196 HG23 ILE 29 3HG2 ILE 29 -17.762 -0.999 -9.941 197 HD11 ILE 29 3HD1 ILE 29 -20.587 0.891 -8.872 198 HD12 ILE 29 1HD1 ILE 29 -19.748 2.419 -8.607 199 HD13 ILE 29 2HD1 ILE 29 -19.378 1.444 -10.030 200 H LEU 30 H LEU 30 -14.284 -1.415 -7.819 201 HA LEU 30 HA LEU 30 -12.041 0.042 -8.596 202 HB2 LEU 30 1HB LEU 30 -12.763 -2.837 -8.530 203 HB3 LEU 30 2HB LEU 30 -11.329 -2.372 -9.443 204 HG LEU 30 HG LEU 30 -11.662 -1.517 -6.591 205 HD11 LEU 30 1HD1 LEU 30 -12.016 -3.968 -6.709 206 HD12 LEU 30 2HD1 LEU 30 -10.555 -3.509 -5.836 207 HD13 LEU 30 3HD1 LEU 30 -10.440 -4.122 -7.485 208 HD21 LEU 30 3HD2 LEU 30 -9.845 -0.774 -8.368 209 HD22 LEU 30 1HD2 LEU 30 -9.093 -2.288 -7.866 210 HD23 LEU 30 2HD2 LEU 30 -9.435 -1.036 -6.672 211 H GLN 31 H GLN 31 -12.230 1.310 -10.380 212 HA GLN 31 HA GLN 31 -13.444 0.452 -12.806 213 HB2 GLN 31 1HB GLN 31 -12.583 2.533 -13.747 214 HB3 GLN 31 2HB GLN 31 -13.317 2.819 -12.175 215 HG2 GLN 31 1HG GLN 31 -11.048 2.783 -11.171 216 HG3 GLN 31 2HG GLN 31 -10.379 2.660 -12.797 217 HE21 GLN 31 1HE2 GLN 31 -9.498 4.542 -13.273 218 HE22 GLN 31 2HE2 GLN 31 -10.230 6.091 -13.049 219 H LYS 32 H LYS 32 -10.091 0.741 -11.707 220 HA LYS 32 HA LYS 32 -9.299 -1.041 -13.903 221 HB2 LYS 32 1HB LYS 32 -7.747 1.400 -13.023 222 HB3 LYS 32 2HB LYS 32 -7.252 0.250 -14.258 223 HG2 LYS 32 1HG LYS 32 -8.782 1.027 -15.789 224 HG3 LYS 32 2HG LYS 32 -9.855 1.676 -14.546 225 HD2 LYS 32 1HD LYS 32 -8.913 3.591 -15.455 226 HD3 LYS 32 2HD LYS 32 -7.894 3.294 -14.045 227 HE2 LYS 32 1HE LYS 32 -6.303 3.672 -15.656 228 HE3 LYS 32 2HE LYS 32 -6.462 1.919 -15.754 229 HZ1 LYS 32 3HZ LYS 32 -8.128 2.345 -17.573 230 HZ2 LYS 32 1HZ LYS 32 -6.519 2.707 -17.951 231 HZ3 LYS 32 2HZ LYS 32 -7.601 3.953 -17.579 232 HA PRO 33 HA PRO 33 -7.812 -2.898 -10.023 233 HB2 PRO 33 1HB PRO 33 -7.796 -5.429 -11.004 234 HB3 PRO 33 2HB PRO 33 -9.255 -4.649 -10.381 235 HG2 PRO 33 1HG PRO 33 -8.349 -4.988 -13.214 236 HG3 PRO 33 2HG PRO 33 -9.970 -5.195 -12.526 237 HD2 PRO 33 1HD PRO 33 -9.232 -2.962 -13.867 238 HD3 PRO 33 2HD PRO 33 -10.398 -2.930 -12.529 239 H VAL 34 H VAL 34 -5.719 -2.985 -9.516 240 HA VAL 34 HA VAL 34 -3.791 -3.743 -11.614 241 HB VAL 34 HB VAL 34 -3.424 -1.709 -9.411 242 HG11 VAL 34 1HG1 VAL 34 -1.306 -2.567 -9.568 243 HG12 VAL 34 2HG1 VAL 34 -1.505 -3.046 -11.254 244 HG13 VAL 34 3HG1 VAL 34 -1.247 -1.351 -10.843 245 HG21 VAL 34 3HG2 VAL 34 -2.866 -0.666 -11.977 246 HG22 VAL 34 1HG2 VAL 34 -4.415 -1.503 -12.077 247 HG23 VAL 34 2HG2 VAL 34 -4.178 -0.227 -10.883 248 H THR 35 H THR 35 -3.090 -5.726 -11.152 249 HA THR 35 HA THR 35 -2.870 -6.631 -8.403 250 HB THR 35 HB THR 35 -2.172 -8.128 -10.936 251 HG1 THR 35 1HG THR 35 -4.601 -7.825 -9.506 252 HG21 THR 35 3HG2 THR 35 -1.331 -8.853 -8.569 253 HG22 THR 35 1HG2 THR 35 -2.027 -10.051 -9.659 254 HG23 THR 35 2HG2 THR 35 -3.000 -9.380 -8.349 255 H ILE 36 H ILE 36 -1.147 -5.687 -7.420 256 HA ILE 36 HA ILE 36 1.383 -5.350 -8.728 257 HB ILE 36 HB ILE 36 2.191 -4.475 -6.648 258 HG12 ILE 36 1HG1 ILE 36 -0.369 -5.481 -5.388 259 HG13 ILE 36 2HG1 ILE 36 1.211 -6.230 -5.190 260 HG21 ILE 36 1HG2 ILE 36 1.082 -2.616 -7.129 261 HG22 ILE 36 2HG2 ILE 36 -0.192 -3.554 -7.908 262 HG23 ILE 36 3HG2 ILE 36 -0.286 -3.201 -6.182 263 HD11 ILE 36 3HD1 ILE 36 0.516 -4.803 -3.291 264 HD12 ILE 36 1HD1 ILE 36 2.040 -4.313 -4.030 265 HD13 ILE 36 2HD1 ILE 36 0.563 -3.411 -4.372 266 H ASP 37 H ASP 37 3.348 -6.077 -7.163 267 HA ASP 37 HA ASP 37 3.703 -8.802 -7.595 268 HB2 ASP 37 1HB ASP 37 5.102 -6.989 -5.618 269 HB3 ASP 37 2HB ASP 37 5.661 -8.597 -6.070 270 H CYS 38 H CYS 38 2.802 -7.096 -4.614 271 HA CYS 38 HA CYS 38 2.810 -9.086 -2.768 272 HB2 CYS 38 1HB CYS 38 1.423 -7.773 -1.492 273 HB3 CYS 38 2HB CYS 38 1.922 -6.588 -2.696 274 H GLY 39 H GLY 39 0.249 -8.487 -5.156 275 HA2 GLY 39 1HA GLY 39 -0.796 -10.408 -6.221 276 HA3 GLY 39 2HA GLY 39 -0.682 -11.247 -4.681 277 H HIS 40 H HIS 40 -1.760 -7.926 -5.183 278 HA HIS 40 HA HIS 40 -4.510 -8.743 -4.563 279 HB2 HIS 40 1HB HIS 40 -2.881 -6.657 -3.116 280 HB3 HIS 40 2HB HIS 40 -4.642 -6.684 -3.061 281 HD2 HIS 40 2HD HIS 40 -4.518 -10.150 -2.804 282 HE1 HIS 40 1HE HIS 40 -2.986 -9.075 1.004 283 HE2 HIS 40 2HE HIS 40 -3.914 -10.938 -0.415 284 H ASN 41 H ASN 41 -6.131 -7.208 -5.191 285 HA ASN 41 HA ASN 41 -5.234 -5.505 -7.411 286 HB2 ASN 41 1HB ASN 41 -7.832 -6.911 -6.831 287 HB3 ASN 41 2HB ASN 41 -7.747 -5.597 -8.001 288 HD21 ASN 41 1HD2 ASN 41 -6.943 -8.876 -7.313 289 HD22 ASN 41 2HD2 ASN 41 -6.354 -9.286 -8.884 290 H PHE 42 H PHE 42 -5.446 -3.361 -7.309 291 HA PHE 42 HA PHE 42 -7.265 -2.210 -5.310 292 HB2 PHE 42 1HB PHE 42 -4.392 -1.400 -5.795 293 HB3 PHE 42 2HB PHE 42 -5.532 -0.474 -4.824 294 HD1 PHE 42 1HD PHE 42 -6.637 -1.726 -2.848 295 HD2 PHE 42 2HD PHE 42 -3.083 -3.019 -4.799 296 HE1 PHE 42 1HE PHE 42 -6.043 -3.065 -0.871 297 HE2 PHE 42 2HE PHE 42 -2.483 -4.361 -2.826 298 HZ PHE 42 HZ PHE 42 -3.965 -4.386 -0.859 299 H CYS 43 H CYS 43 -7.481 0.238 -5.692 300 HA CYS 43 HA CYS 43 -7.955 0.620 -8.559 301 HB2 CYS 43 1HB CYS 43 -9.715 1.997 -8.017 302 HB3 CYS 43 2HB CYS 43 -9.710 0.947 -6.604 303 H LEU 44 H LEU 44 -7.044 2.244 -9.718 304 HA LEU 44 HA LEU 44 -4.584 3.245 -9.183 305 HB2 LEU 44 1HB LEU 44 -5.510 3.489 -11.356 306 HB3 LEU 44 2HB LEU 44 -6.828 4.491 -10.751 307 HG LEU 44 HG LEU 44 -4.982 6.176 -10.132 308 HD11 LEU 44 1HD1 LEU 44 -3.057 5.985 -11.799 309 HD12 LEU 44 2HD1 LEU 44 -3.504 4.284 -11.931 310 HD13 LEU 44 3HD1 LEU 44 -3.008 4.946 -10.374 311 HD21 LEU 44 3HD2 LEU 44 -5.303 7.281 -12.143 312 HD22 LEU 44 1HD2 LEU 44 -6.687 6.189 -12.079 313 HD23 LEU 44 2HD2 LEU 44 -5.293 5.788 -13.083 314 H LYS 45 H LYS 45 -7.582 5.121 -8.695 315 HA LYS 45 HA LYS 45 -6.634 7.386 -7.562 316 HB2 LYS 45 1HB LYS 45 -9.005 5.851 -6.484 317 HB3 LYS 45 2HB LYS 45 -8.723 7.581 -6.336 318 HG2 LYS 45 1HG LYS 45 -8.670 7.441 -8.971 319 HG3 LYS 45 2HG LYS 45 -9.639 5.996 -8.672 320 HD2 LYS 45 1HD LYS 45 -11.330 7.229 -7.593 321 HD3 LYS 45 2HD LYS 45 -10.294 8.646 -7.412 322 HE2 LYS 45 1HE LYS 45 -11.302 7.544 -10.034 323 HE3 LYS 45 2HE LYS 45 -11.989 8.925 -9.181 324 HZ1 LYS 45 3HZ LYS 45 -9.241 8.736 -10.290 325 HZ2 LYS 45 1HZ LYS 45 -9.832 10.043 -9.392 326 HZ3 LYS 45 2HZ LYS 45 -10.507 9.678 -10.899 327 H CYS 46 H CYS 46 -6.724 4.219 -6.089 328 HA CYS 46 HA CYS 46 -5.922 5.244 -3.492 329 HB2 CYS 46 1HB CYS 46 -6.784 2.617 -4.580 330 HB3 CYS 46 2HB CYS 46 -5.698 2.585 -3.195 331 H ILE 47 H ILE 47 -4.586 2.562 -5.411 332 HA ILE 47 HA ILE 47 -2.126 2.314 -4.407 333 HB ILE 47 HB ILE 47 -2.753 2.403 -7.359 334 HG12 ILE 47 1HG1 ILE 47 -2.495 0.024 -5.513 335 HG13 ILE 47 2HG1 ILE 47 -4.033 0.771 -5.931 336 HG21 ILE 47 1HG2 ILE 47 -0.429 1.008 -6.059 337 HG22 ILE 47 2HG2 ILE 47 -0.722 1.274 -7.777 338 HG23 ILE 47 3HG2 ILE 47 -0.314 2.634 -6.732 339 HD11 ILE 47 3HD1 ILE 47 -2.592 0.204 -8.323 340 HD12 ILE 47 1HD1 ILE 47 -2.641 -1.240 -7.313 341 HD13 ILE 47 2HD1 ILE 47 -4.142 -0.436 -7.775 342 H THR 48 H THR 48 -3.146 4.938 -6.527 343 HA THR 48 HA THR 48 -0.566 6.100 -6.822 344 HB THR 48 HB THR 48 -3.224 7.511 -7.094 345 HG1 THR 48 1HG THR 48 -3.524 6.198 -8.721 346 HG21 THR 48 3HG2 THR 48 -1.189 8.262 -8.977 347 HG22 THR 48 1HG2 THR 48 -0.570 8.413 -7.333 348 HG23 THR 48 2HG2 THR 48 -2.043 9.263 -7.803 349 H GLN 49 H GLN 49 -3.389 7.042 -4.854 350 HA GLN 49 HA GLN 49 -2.246 9.189 -3.527 351 HB2 GLN 49 1HB GLN 49 -4.473 7.309 -2.942 352 HB3 GLN 49 2HB GLN 49 -3.882 8.295 -1.611 353 HG2 GLN 49 1HG GLN 49 -5.005 9.252 -4.230 354 HG3 GLN 49 2HG GLN 49 -5.725 9.414 -2.628 355 HE21 GLN 49 1HE2 GLN 49 -3.802 10.862 -4.963 356 HE22 GLN 49 2HE2 GLN 49 -3.199 12.178 -4.021 357 H ILE 50 H ILE 50 -2.479 5.828 -2.353 358 HA ILE 50 HA ILE 50 -1.204 5.941 0.015 359 HB ILE 50 HB ILE 50 -0.706 3.860 -2.116 360 HG12 ILE 50 1HG1 ILE 50 -2.542 3.583 0.245 361 HG13 ILE 50 2HG1 ILE 50 -3.097 4.381 -1.222 362 HG21 ILE 50 1HG2 ILE 50 0.980 3.926 -0.257 363 HG22 ILE 50 2HG2 ILE 50 -0.337 3.564 0.856 364 HG23 ILE 50 3HG2 ILE 50 0.091 2.411 -0.407 365 HD11 ILE 50 3HD1 ILE 50 -3.691 1.981 -1.077 366 HD12 ILE 50 1HD1 ILE 50 -2.746 2.399 -2.506 367 HD13 ILE 50 2HD1 ILE 50 -1.971 1.595 -1.140 368 H GLY 51 H GLY 51 0.444 5.799 -3.136 369 HA2 GLY 51 1HA GLY 51 2.814 6.965 -1.827 370 HA3 GLY 51 2HA GLY 51 2.986 5.577 -2.891 371 H GLU 52 H GLU 52 3.246 8.853 -2.738 372 HA GLU 52 HA GLU 52 2.138 9.933 -4.991 373 HB2 GLU 52 1HB GLU 52 4.679 10.446 -3.519 374 HB3 GLU 52 2HB GLU 52 4.454 11.232 -5.075 375 HG2 GLU 52 1HG GLU 52 2.271 12.108 -4.208 376 HG3 GLU 52 2HG GLU 52 2.738 11.494 -2.623 377 H THR 53 H THR 53 3.350 10.592 -7.034 378 HA THR 53 HA THR 53 4.384 8.153 -8.265 379 HB THR 53 HB THR 53 4.057 9.332 -10.412 380 HG1 THR 53 1HG THR 53 3.763 11.424 -10.416 381 HG21 THR 53 3HG2 THR 53 1.745 9.196 -8.491 382 HG22 THR 53 1HG2 THR 53 2.206 8.035 -9.735 383 HG23 THR 53 2HG2 THR 53 1.529 9.597 -10.194 384 H SER 54 H SER 54 6.101 9.567 -6.470 385 HA SER 54 HA SER 54 8.143 10.589 -8.334 386 HB2 SER 54 1HB SER 54 9.085 11.808 -6.381 387 HB3 SER 54 2HB SER 54 7.441 12.313 -6.769 388 HG SER 54 HG SER 54 7.770 10.249 -4.919 389 H CYS 55 H CYS 55 7.384 8.281 -5.875 390 HA CYS 55 HA CYS 55 10.140 7.247 -6.009 391 HB2 CYS 55 1HB CYS 55 8.145 7.078 -3.743 392 HB3 CYS 55 2HB CYS 55 9.678 6.214 -3.776 393 HG CYS 55 HG CYS 55 9.061 9.256 -2.755 394 H GLY 56 H GLY 56 6.871 6.065 -5.179 395 HA2 GLY 56 1HA GLY 56 5.803 4.442 -6.670 396 HA3 GLY 56 2HA GLY 56 7.396 3.752 -6.940 397 H PHE 57 H PHE 57 8.498 3.095 -4.761 398 HA PHE 57 HA PHE 57 7.372 0.868 -3.755 399 HB2 PHE 57 1HB PHE 57 9.221 2.862 -2.497 400 HB3 PHE 57 2HB PHE 57 8.644 1.495 -1.549 401 HD1 PHE 57 2HD PHE 57 10.255 2.280 -4.812 402 HD2 PHE 57 1HD PHE 57 9.798 -0.498 -1.620 403 HE1 PHE 57 2HE PHE 57 12.006 0.862 -5.800 404 HE2 PHE 57 1HE PHE 57 11.549 -1.921 -2.603 405 HZ PHE 57 HZ PHE 57 12.655 -1.242 -4.696 406 H PHE 58 H PHE 58 5.572 0.385 -2.702 407 HA PHE 58 HA PHE 58 4.577 2.118 -0.599 408 HB2 PHE 58 1HB PHE 58 2.402 2.454 -1.512 409 HB3 PHE 58 2HB PHE 58 3.544 2.912 -2.771 410 HD1 PHE 58 1HD PHE 58 4.281 0.651 -4.190 411 HD2 PHE 58 2HD PHE 58 0.537 1.410 -2.313 412 HE1 PHE 58 1HE PHE 58 3.187 -0.907 -5.749 413 HE2 PHE 58 2HE PHE 58 -0.563 -0.147 -3.869 414 HZ PHE 58 HZ PHE 58 0.763 -1.309 -5.589 415 H LYS 59 H LYS 59 4.477 0.698 1.014 416 HA LYS 59 HA LYS 59 4.155 -2.069 0.761 417 HB2 LYS 59 1HB LYS 59 4.003 -0.118 3.004 418 HB3 LYS 59 2HB LYS 59 3.340 -1.724 3.278 419 HG2 LYS 59 1HG LYS 59 6.078 -1.451 2.132 420 HG3 LYS 59 2HG LYS 59 5.825 -1.199 3.861 421 HD2 LYS 59 1HD LYS 59 5.076 -3.395 4.185 422 HD3 LYS 59 2HD LYS 59 4.775 -3.640 2.463 423 HE2 LYS 59 1HE LYS 59 7.112 -3.719 1.993 424 HE3 LYS 59 2HE LYS 59 7.517 -3.198 3.628 425 HZ1 LYS 59 3HZ LYS 59 7.860 -5.538 3.467 426 HZ2 LYS 59 1HZ LYS 59 6.313 -5.790 2.830 427 HZ3 LYS 59 2HZ LYS 59 6.496 -5.287 4.435 428 H CYS 60 H CYS 60 2.441 -3.195 0.148 429 HA CYS 60 HA CYS 60 -0.092 -2.173 -0.328 430 HB2 CYS 60 1HB CYS 60 0.523 -4.224 -1.369 431 HB3 CYS 60 2HB CYS 60 0.842 -4.996 0.181 432 HA PRO 61 HA PRO 61 -1.913 -1.790 3.669 433 HB2 PRO 61 1HB PRO 61 -4.519 -1.730 2.910 434 HB3 PRO 61 2HB PRO 61 -3.418 -0.368 2.673 435 HG2 PRO 61 1HG PRO 61 -4.297 -2.457 0.717 436 HG3 PRO 61 2HG PRO 61 -4.121 -0.708 0.482 437 HD2 PRO 61 1HD PRO 61 -2.257 -2.485 -0.356 438 HD3 PRO 61 2HD PRO 61 -1.838 -0.850 0.193 439 H LEU 62 H LEU 62 -3.611 -4.051 1.485 440 HA LEU 62 HA LEU 62 -4.847 -5.603 3.420 441 HB2 LEU 62 1HB LEU 62 -4.029 -6.003 0.606 442 HB3 LEU 62 2HB LEU 62 -4.404 -7.453 1.535 443 HG LEU 62 HG LEU 62 -6.638 -6.453 2.044 444 HD11 LEU 62 1HD1 LEU 62 -6.918 -4.285 1.657 445 HD12 LEU 62 2HD1 LEU 62 -6.932 -4.662 -0.065 446 HD13 LEU 62 3HD1 LEU 62 -5.425 -4.195 0.722 447 HD21 LEU 62 3HD2 LEU 62 -6.285 -6.609 -0.922 448 HD22 LEU 62 1HD2 LEU 62 -7.590 -7.236 0.086 449 HD23 LEU 62 2HD2 LEU 62 -6.016 -8.033 0.085 450 H CYS 63 H CYS 63 -1.700 -6.157 1.848 451 HA CYS 63 HA CYS 63 -0.916 -7.755 4.190 452 HB2 CYS 63 1HB CYS 63 0.234 -9.345 2.775 453 HB3 CYS 63 2HB CYS 63 -1.446 -9.235 2.261 454 H LYS 64 H LYS 64 1.273 -7.663 4.768 455 HA LYS 64 HA LYS 64 2.615 -5.239 3.882 456 HB2 LYS 64 1HB LYS 64 2.960 -7.121 6.191 457 HB3 LYS 64 2HB LYS 64 4.260 -6.019 5.755 458 HG2 LYS 64 1HG LYS 64 2.285 -4.254 5.835 459 HG3 LYS 64 2HG LYS 64 1.602 -5.452 6.936 460 HD2 LYS 64 1HD LYS 64 4.397 -4.369 7.221 461 HD3 LYS 64 2HD LYS 64 2.997 -3.629 8.001 462 HE2 LYS 64 1HE LYS 64 2.557 -6.029 8.894 463 HE3 LYS 64 2HE LYS 64 4.253 -6.300 8.496 464 HZ1 LYS 64 3HZ LYS 64 4.913 -4.596 9.982 465 HZ2 LYS 64 1HZ LYS 64 3.816 -5.570 10.825 466 HZ3 LYS 64 2HZ LYS 64 3.322 -4.072 10.216 467 H THR 65 H THR 65 3.181 -6.013 1.766 468 HA THR 65 HA THR 65 5.451 -7.895 1.790 469 HB THR 65 HB THR 65 3.644 -7.348 -0.568 470 HG1 THR 65 1HG THR 65 3.127 -9.723 0.124 471 HG21 THR 65 3HG2 THR 65 5.951 -9.173 -0.039 472 HG22 THR 65 1HG2 THR 65 5.601 -8.192 -1.461 473 HG23 THR 65 2HG2 THR 65 4.690 -9.672 -1.165 474 H SER 66 H SER 66 7.190 -7.467 0.337 475 HA SER 66 HA SER 66 7.759 -4.653 0.091 476 HB2 SER 66 1HB SER 66 9.300 -7.186 -0.284 477 HB3 SER 66 2HB SER 66 9.906 -5.713 -1.042 478 HG SER 66 HG SER 66 10.795 -5.680 0.938 479 H VAL 67 H VAL 67 6.254 -3.948 -1.459 480 HA VAL 67 HA VAL 67 6.506 -5.050 -4.162 481 HB VAL 67 HB VAL 67 4.230 -4.748 -3.233 482 HG11 VAL 67 1HG1 VAL 67 5.215 -2.335 -2.309 483 HG12 VAL 67 2HG1 VAL 67 4.122 -1.873 -3.615 484 HG13 VAL 67 3HG1 VAL 67 3.532 -2.859 -2.277 485 HG21 VAL 67 3HG2 VAL 67 3.633 -3.005 -5.252 486 HG22 VAL 67 1HG2 VAL 67 5.213 -3.614 -5.743 487 HG23 VAL 67 2HG2 VAL 67 3.887 -4.739 -5.449 488 H ARG 68 H ARG 68 7.385 -3.949 -5.823 489 HA ARG 68 HA ARG 68 8.026 -1.112 -5.471 490 HB2 ARG 68 1HB ARG 68 10.307 -1.448 -6.280 491 HB3 ARG 68 2HB ARG 68 10.029 -2.355 -4.800 492 HG2 ARG 68 1HG ARG 68 9.565 -4.356 -6.295 493 HG3 ARG 68 2HG ARG 68 10.247 -3.391 -7.606 494 HD2 ARG 68 1HD ARG 68 12.251 -3.053 -6.030 495 HD3 ARG 68 2HD ARG 68 11.584 -4.409 -5.122 496 HE ARG 68 HE ARG 68 11.713 -5.264 -7.731 497 HH11 ARG 68 2HH1 ARG 68 13.967 -4.073 -5.360 498 HH12 ARG 68 1HH1 ARG 68 15.305 -4.979 -5.986 499 HH21 ARG 68 2HH2 ARG 68 13.466 -6.462 -8.564 500 HH22 ARG 68 1HH2 ARG 68 15.019 -6.337 -7.809 501 H LYS 69 H LYS 69 8.051 0.084 -7.346 502 HA LYS 69 HA LYS 69 7.204 -1.349 -9.777 503 HB2 LYS 69 1HB LYS 69 6.393 1.266 -8.587 504 HB3 LYS 69 2HB LYS 69 6.375 1.105 -10.339 505 HG2 LYS 69 1HG LYS 69 4.734 -0.556 -10.287 506 HG3 LYS 69 2HG LYS 69 4.995 -0.884 -8.572 507 HD2 LYS 69 1HD LYS 69 4.171 1.450 -8.113 508 HD3 LYS 69 2HD LYS 69 3.704 1.541 -9.812 509 HE2 LYS 69 1HE LYS 69 2.759 -0.632 -7.955 510 HE3 LYS 69 2HE LYS 69 1.881 0.877 -8.195 511 HZ1 LYS 69 3HZ LYS 69 0.881 -0.335 -9.791 512 HZ2 LYS 69 1HZ LYS 69 2.184 -1.397 -9.982 513 HZ3 LYS 69 2HZ LYS 69 2.222 0.129 -10.711 514 H ASN 70 H ASN 70 8.912 -1.574 -11.076 515 HA ASN 70 HA ASN 70 10.920 0.539 -11.223 516 HB2 ASN 70 1HB ASN 70 10.996 -2.072 -12.724 517 HB3 ASN 70 2HB ASN 70 12.343 -1.038 -12.258 518 HD21 ASN 70 1HD2 ASN 70 12.237 -3.776 -11.746 519 HD22 ASN 70 2HD2 ASN 70 12.165 -4.012 -10.036 520 H ALA 71 H ALA 71 10.311 2.165 -12.520 521 HA ALA 71 HA ALA 71 10.067 1.701 -15.329 522 HB1 ALA 71 3HB ALA 71 7.842 1.284 -15.233 523 HB2 ALA 71 1HB ALA 71 7.630 2.158 -13.715 524 HB3 ALA 71 2HB ALA 71 7.762 3.046 -15.234 525 H ILE 72 H ILE 72 9.395 3.890 -16.431 526 HA ILE 72 HA ILE 72 11.240 5.858 -15.442 527 HB ILE 72 HB ILE 72 9.351 5.986 -17.795 528 HG12 ILE 72 1HG1 ILE 72 12.329 5.470 -17.774 529 HG13 ILE 72 2HG1 ILE 72 11.122 4.191 -17.843 530 HG21 ILE 72 1HG2 ILE 72 10.671 7.861 -18.560 531 HG22 ILE 72 2HG2 ILE 72 10.032 8.199 -16.952 532 HG23 ILE 72 3HG2 ILE 72 11.721 7.733 -17.149 533 HD11 ILE 72 3HD1 ILE 72 10.483 6.039 -19.871 534 HD12 ILE 72 1HD1 ILE 72 12.218 5.738 -19.960 535 HD13 ILE 72 2HD1 ILE 72 11.084 4.389 -20.040 536 H ARG 73 H ARG 73 10.813 7.567 -14.208 537 HA ARG 73 HA ARG 73 8.253 7.979 -13.078 538 HB2 ARG 73 1HB ARG 73 9.237 9.834 -11.913 539 HB3 ARG 73 2HB ARG 73 10.421 8.534 -11.970 540 HG2 ARG 73 1HG ARG 73 11.563 9.650 -13.817 541 HG3 ARG 73 2HG ARG 73 10.374 10.953 -13.763 542 HD2 ARG 73 1HD ARG 73 11.054 11.311 -11.360 543 HD3 ARG 73 2HD ARG 73 12.390 10.199 -11.658 544 HE ARG 73 HE ARG 73 12.143 12.919 -12.596 545 HH11 ARG 73 2HH1 ARG 73 13.724 9.843 -12.999 546 HH12 ARG 73 1HH1 ARG 73 15.106 10.512 -13.801 547 HH21 ARG 73 2HH2 ARG 73 13.958 13.811 -13.651 548 HH22 ARG 73 1HH2 ARG 73 15.239 12.769 -14.171 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -74.748 -1.769 -24.178 2 HA2 GLY 1 1HA GLY 1 -73.027 -3.733 -25.530 3 HA3 GLY 1 2HA GLY 1 -73.102 -2.091 -26.153 4 H SER 2 H SER 2 -70.734 -2.277 -25.728 5 HA SER 2 HA SER 2 -70.083 -0.868 -23.343 6 HB2 SER 2 1HB SER 2 -68.727 -2.480 -22.215 7 HB3 SER 2 2HB SER 2 -70.277 -3.261 -22.527 8 HG SER 2 HG SER 2 -69.352 -4.584 -23.911 9 H SER 3 H SER 3 -67.542 -0.816 -23.132 10 HA SER 3 HA SER 3 -66.344 -0.813 -25.816 11 HB2 SER 3 1HB SER 3 -66.297 1.459 -23.819 12 HB3 SER 3 2HB SER 3 -65.236 1.370 -25.225 13 HG SER 3 HG SER 3 -68.062 1.557 -25.182 14 H GLY 4 H GLY 4 -63.892 -0.367 -25.617 15 HA2 GLY 4 1HA GLY 4 -62.622 -1.143 -23.165 16 HA3 GLY 4 2HA GLY 4 -62.647 -2.447 -24.344 17 H SER 5 H SER 5 -60.416 -0.846 -23.178 18 HA SER 5 HA SER 5 -59.079 -0.290 -25.705 19 HB2 SER 5 1HB SER 5 -58.173 1.873 -24.796 20 HB3 SER 5 2HB SER 5 -59.900 1.903 -25.151 21 HG SER 5 HG SER 5 -58.986 1.247 -22.571 22 H SER 6 H SER 6 -56.889 -0.644 -25.657 23 HA SER 6 HA SER 6 -55.510 -1.033 -23.143 24 HB2 SER 6 1HB SER 6 -56.174 -3.312 -24.992 25 HB3 SER 6 2HB SER 6 -54.735 -3.363 -23.975 26 HG SER 6 HG SER 6 -56.720 -2.602 -22.429 27 H GLY 7 H GLY 7 -53.175 -1.682 -23.553 28 HA2 GLY 7 1HA GLY 7 -52.242 -0.709 -26.172 29 HA3 GLY 7 2HA GLY 7 -51.589 -0.017 -24.695 30 H MET 8 H MET 8 -49.496 -0.698 -25.411 31 HA MET 8 HA MET 8 -48.966 -3.492 -24.707 32 HB2 MET 8 1HB MET 8 -48.025 -2.097 -27.213 33 HB3 MET 8 2HB MET 8 -47.284 -3.569 -26.598 34 HG2 MET 8 1HG MET 8 -49.202 -4.841 -27.002 35 HG3 MET 8 2HG MET 8 -50.219 -3.412 -27.172 36 HE1 MET 8 3HE MET 8 -50.993 -4.745 -30.072 37 HE2 MET 8 1HE MET 8 -49.616 -5.806 -30.369 38 HE3 MET 8 2HE MET 8 -50.363 -5.758 -28.772 39 H ALA 9 H ALA 9 -46.751 -3.898 -24.080 40 HA ALA 9 HA ALA 9 -45.243 -1.476 -23.361 41 HB1 ALA 9 3HB ALA 9 -45.056 -2.027 -21.161 42 HB2 ALA 9 1HB ALA 9 -46.633 -2.744 -21.490 43 HB3 ALA 9 2HB ALA 9 -45.190 -3.759 -21.467 44 H SER 10 H SER 10 -42.960 -2.080 -22.628 45 HA SER 10 HA SER 10 -41.948 -4.344 -24.216 46 HB2 SER 10 1HB SER 10 -41.605 -1.977 -25.214 47 HB3 SER 10 2HB SER 10 -40.402 -1.777 -23.940 48 HG SER 10 HG SER 10 -39.091 -2.934 -25.086 49 H GLY 11 H GLY 11 -39.988 -5.295 -23.472 50 HA2 GLY 11 1HA GLY 11 -38.952 -4.444 -20.887 51 HA3 GLY 11 2HA GLY 11 -39.742 -6.013 -20.920 52 H GLN 12 H GLN 12 -36.850 -4.911 -20.638 53 HA GLN 12 HA GLN 12 -35.657 -6.892 -22.460 54 HB2 GLN 12 1HB GLN 12 -33.726 -5.468 -22.763 55 HB3 GLN 12 2HB GLN 12 -35.177 -4.579 -23.206 56 HG2 GLN 12 1HG GLN 12 -33.715 -4.334 -20.587 57 HG3 GLN 12 2HG GLN 12 -33.591 -3.212 -21.941 58 HE21 GLN 12 1HE2 GLN 12 -35.601 -2.158 -22.621 59 HE22 GLN 12 2HE2 GLN 12 -36.771 -1.754 -21.415 60 H PHE 13 H PHE 13 -34.188 -8.269 -21.599 61 HA PHE 13 HA PHE 13 -33.297 -7.795 -18.840 62 HB2 PHE 13 1HB PHE 13 -34.336 -10.443 -19.871 63 HB3 PHE 13 2HB PHE 13 -33.744 -10.115 -18.246 64 HD1 PHE 13 1HD PHE 13 -35.019 -8.465 -16.816 65 HD2 PHE 13 2HD PHE 13 -36.573 -10.087 -20.431 66 HE1 PHE 13 1HE PHE 13 -37.295 -7.848 -16.111 67 HE2 PHE 13 2HE PHE 13 -38.850 -9.472 -19.732 68 HZ PHE 13 HZ PHE 13 -39.214 -8.351 -17.570 69 H VAL 14 H VAL 14 -31.195 -7.379 -19.328 70 HA VAL 14 HA VAL 14 -29.739 -9.313 -20.989 71 HB VAL 14 HB VAL 14 -29.438 -7.022 -21.688 72 HG11 VAL 14 1HG1 VAL 14 -27.964 -5.770 -19.705 73 HG12 VAL 14 2HG1 VAL 14 -29.637 -5.424 -20.147 74 HG13 VAL 14 3HG1 VAL 14 -29.285 -6.547 -18.833 75 HG21 VAL 14 3HG2 VAL 14 -27.382 -8.784 -21.082 76 HG22 VAL 14 1HG2 VAL 14 -27.291 -7.389 -22.158 77 HG23 VAL 14 2HG2 VAL 14 -26.820 -7.230 -20.466 78 H ASN 15 H ASN 15 -28.108 -10.545 -20.203 79 HA ASN 15 HA ASN 15 -27.796 -10.613 -17.305 80 HB2 ASN 15 1HB ASN 15 -26.540 -12.537 -19.251 81 HB3 ASN 15 2HB ASN 15 -26.955 -12.803 -17.560 82 HD21 ASN 15 1HD2 ASN 15 -28.875 -13.651 -17.076 83 HD22 ASN 15 2HD2 ASN 15 -30.141 -13.954 -18.213 84 H LYS 16 H LYS 16 -26.504 -8.764 -17.008 85 HA LYS 16 HA LYS 16 -23.852 -8.773 -18.244 86 HB2 LYS 16 1HB LYS 16 -25.274 -6.687 -18.183 87 HB3 LYS 16 2HB LYS 16 -25.047 -6.668 -16.439 88 HG2 LYS 16 1HG LYS 16 -23.485 -5.156 -17.402 89 HG3 LYS 16 2HG LYS 16 -22.589 -6.565 -16.829 90 HD2 LYS 16 1HD LYS 16 -22.408 -7.433 -19.055 91 HD3 LYS 16 2HD LYS 16 -23.495 -6.192 -19.681 92 HE2 LYS 16 1HE LYS 16 -21.310 -5.500 -20.252 93 HE3 LYS 16 2HE LYS 16 -21.802 -4.491 -18.893 94 HZ1 LYS 16 3HZ LYS 16 -19.931 -5.128 -17.914 95 HZ2 LYS 16 1HZ LYS 16 -19.616 -6.302 -19.091 96 HZ3 LYS 16 2HZ LYS 16 -20.592 -6.678 -17.761 97 H LEU 17 H LEU 17 -21.945 -8.481 -16.941 98 HA LEU 17 HA LEU 17 -21.993 -10.125 -14.582 99 HB2 LEU 17 1HB LEU 17 -20.160 -9.830 -16.458 100 HB3 LEU 17 2HB LEU 17 -19.590 -8.559 -15.378 101 HG LEU 17 HG LEU 17 -20.022 -11.365 -14.401 102 HD11 LEU 17 1HD1 LEU 17 -18.474 -11.227 -16.430 103 HD12 LEU 17 2HD1 LEU 17 -17.845 -11.991 -14.971 104 HD13 LEU 17 3HD1 LEU 17 -17.376 -10.340 -15.373 105 HD21 LEU 17 3HD2 LEU 17 -18.783 -8.870 -13.401 106 HD22 LEU 17 1HD2 LEU 17 -17.967 -10.383 -13.006 107 HD23 LEU 17 2HD2 LEU 17 -19.648 -10.139 -12.532 108 H GLN 18 H GLN 18 -22.822 -9.237 -12.789 109 HA GLN 18 HA GLN 18 -22.067 -6.486 -12.096 110 HB2 GLN 18 1HB GLN 18 -24.343 -6.491 -11.888 111 HB3 GLN 18 2HB GLN 18 -24.414 -8.206 -11.505 112 HG2 GLN 18 1HG GLN 18 -23.780 -7.812 -9.250 113 HG3 GLN 18 2HG GLN 18 -23.395 -6.126 -9.591 114 HE21 GLN 18 1HE2 GLN 18 -24.801 -5.066 -8.341 115 HE22 GLN 18 2HE2 GLN 18 -26.518 -5.236 -8.418 116 H GLU 19 H GLU 19 -21.135 -9.599 -11.484 117 HA GLU 19 HA GLU 19 -20.606 -9.341 -8.661 118 HB2 GLU 19 1HB GLU 19 -19.724 -11.410 -10.680 119 HB3 GLU 19 2HB GLU 19 -19.408 -11.506 -8.953 120 HG2 GLU 19 1HG GLU 19 -22.149 -11.406 -10.192 121 HG3 GLU 19 2HG GLU 19 -21.322 -12.878 -9.683 122 H GLU 20 H GLU 20 -19.494 -7.171 -9.689 123 HA GLU 20 HA GLU 20 -16.712 -7.630 -10.355 124 HB2 GLU 20 1HB GLU 20 -18.246 -5.065 -9.897 125 HB3 GLU 20 2HB GLU 20 -16.581 -5.157 -10.454 126 HG2 GLU 20 1HG GLU 20 -17.575 -6.618 -12.356 127 HG3 GLU 20 2HG GLU 20 -19.098 -5.863 -11.891 128 H VAL 21 H VAL 21 -14.943 -6.805 -9.132 129 HA VAL 21 HA VAL 21 -15.300 -7.155 -6.289 130 HB VAL 21 HB VAL 21 -13.334 -8.102 -7.414 131 HG11 VAL 21 1HG1 VAL 21 -12.752 -6.665 -9.132 132 HG12 VAL 21 2HG1 VAL 21 -12.836 -5.234 -8.102 133 HG13 VAL 21 3HG1 VAL 21 -11.486 -6.359 -7.943 134 HG21 VAL 21 3HG2 VAL 21 -11.678 -7.421 -5.792 135 HG22 VAL 21 1HG2 VAL 21 -12.571 -5.937 -5.458 136 HG23 VAL 21 2HG2 VAL 21 -13.259 -7.500 -5.016 137 H ILE 22 H ILE 22 -14.451 -5.630 -4.707 138 HA ILE 22 HA ILE 22 -14.815 -2.838 -5.579 139 HB ILE 22 HB ILE 22 -15.355 -4.015 -2.850 140 HG12 ILE 22 1HG1 ILE 22 -16.934 -4.467 -4.907 141 HG13 ILE 22 2HG1 ILE 22 -17.614 -4.026 -3.344 142 HG21 ILE 22 1HG2 ILE 22 -16.425 -1.753 -2.478 143 HG22 ILE 22 2HG2 ILE 22 -14.664 -1.779 -2.542 144 HG23 ILE 22 3HG2 ILE 22 -15.588 -1.221 -3.936 145 HD11 ILE 22 3HD1 ILE 22 -17.728 -1.676 -4.123 146 HD12 ILE 22 1HD1 ILE 22 -17.199 -2.224 -5.714 147 HD13 ILE 22 2HD1 ILE 22 -18.733 -2.790 -5.051 148 H CYS 23 H CYS 23 -13.520 -1.221 -4.587 149 HA CYS 23 HA CYS 23 -10.823 -2.081 -4.096 150 HB2 CYS 23 1HB CYS 23 -11.580 0.036 -5.342 151 HB3 CYS 23 2HB CYS 23 -11.855 0.727 -3.746 152 HA PRO 24 HA PRO 24 -11.404 -2.463 0.305 153 HB2 PRO 24 1HB PRO 24 -8.828 -3.109 0.865 154 HB3 PRO 24 2HB PRO 24 -9.980 -4.261 0.181 155 HG2 PRO 24 1HG PRO 24 -7.862 -2.656 -1.197 156 HG3 PRO 24 2HG PRO 24 -8.306 -4.356 -1.431 157 HD2 PRO 24 1HD PRO 24 -9.129 -2.393 -3.103 158 HD3 PRO 24 2HD PRO 24 -10.111 -3.832 -2.765 159 H ILE 25 H ILE 25 -10.077 0.007 -1.355 160 HA ILE 25 HA ILE 25 -9.008 1.319 1.058 161 HB ILE 25 HB ILE 25 -8.463 2.010 -1.832 162 HG12 ILE 25 1HG1 ILE 25 -6.700 0.706 0.253 163 HG13 ILE 25 2HG1 ILE 25 -7.390 -0.089 -1.158 164 HG21 ILE 25 1HG2 ILE 25 -8.469 3.863 -0.059 165 HG22 ILE 25 2HG2 ILE 25 -7.011 3.088 0.559 166 HG23 ILE 25 3HG2 ILE 25 -7.046 3.711 -1.090 167 HD11 ILE 25 3HD1 ILE 25 -6.107 1.554 -2.564 168 HD12 ILE 25 1HD1 ILE 25 -5.276 2.039 -1.086 169 HD13 ILE 25 2HD1 ILE 25 -5.140 0.380 -1.671 170 H CYS 26 H CYS 26 -10.759 2.058 -1.961 171 HA CYS 26 HA CYS 26 -12.105 4.262 -0.554 172 HB2 CYS 26 1HB CYS 26 -12.635 5.144 -2.787 173 HB3 CYS 26 2HB CYS 26 -10.900 4.925 -2.580 174 H LEU 27 H LEU 27 -12.650 1.173 -0.919 175 HA LEU 27 HA LEU 27 -14.449 -0.205 -1.290 176 HB2 LEU 27 1HB LEU 27 -15.911 2.084 0.011 177 HB3 LEU 27 2HB LEU 27 -16.367 0.382 0.029 178 HG LEU 27 HG LEU 27 -13.883 1.478 1.342 179 HD11 LEU 27 1HD1 LEU 27 -16.286 0.580 2.860 180 HD12 LEU 27 2HD1 LEU 27 -16.238 2.218 2.207 181 HD13 LEU 27 3HD1 LEU 27 -14.995 1.683 3.338 182 HD21 LEU 27 3HD2 LEU 27 -15.200 -1.088 2.069 183 HD22 LEU 27 1HD2 LEU 27 -13.500 -0.625 2.148 184 HD23 LEU 27 2HD2 LEU 27 -14.233 -1.028 0.595 185 H ASP 28 H ASP 28 -13.893 1.727 -3.454 186 HA ASP 28 HA ASP 28 -16.585 2.198 -4.519 187 HB2 ASP 28 1HB ASP 28 -14.900 4.063 -4.511 188 HB3 ASP 28 2HB ASP 28 -13.944 3.129 -5.658 189 H ILE 29 H ILE 29 -17.150 1.508 -6.631 190 HA ILE 29 HA ILE 29 -16.560 -1.121 -7.251 191 HB ILE 29 HB ILE 29 -17.504 1.037 -9.142 192 HG12 ILE 29 1HG1 ILE 29 -19.160 -1.041 -7.715 193 HG13 ILE 29 2HG1 ILE 29 -18.862 0.555 -7.035 194 HG21 ILE 29 1HG2 ILE 29 -16.575 -0.997 -10.246 195 HG22 ILE 29 2HG2 ILE 29 -17.807 -1.946 -9.416 196 HG23 ILE 29 3HG2 ILE 29 -18.282 -0.709 -10.579 197 HD11 ILE 29 3HD1 ILE 29 -19.761 1.336 -9.386 198 HD12 ILE 29 1HD1 ILE 29 -20.539 -0.246 -9.344 199 HD13 ILE 29 2HD1 ILE 29 -20.852 0.926 -8.063 200 H LEU 30 H LEU 30 -14.507 -1.787 -7.533 201 HA LEU 30 HA LEU 30 -12.412 -0.359 -8.676 202 HB2 LEU 30 1HB LEU 30 -12.952 -3.242 -8.176 203 HB3 LEU 30 2HB LEU 30 -11.579 -2.810 -9.192 204 HG LEU 30 HG LEU 30 -11.932 -1.690 -6.425 205 HD11 LEU 30 1HD1 LEU 30 -10.415 -4.178 -7.195 206 HD12 LEU 30 2HD1 LEU 30 -11.928 -4.144 -6.291 207 HD13 LEU 30 3HD1 LEU 30 -10.470 -3.433 -5.598 208 HD21 LEU 30 3HD2 LEU 30 -10.350 -0.694 -8.179 209 HD22 LEU 30 1HD2 LEU 30 -9.389 -2.155 -7.947 210 HD23 LEU 30 2HD2 LEU 30 -9.686 -1.070 -6.589 211 H GLN 31 H GLN 31 -13.090 0.654 -10.574 212 HA GLN 31 HA GLN 31 -14.260 -0.691 -12.765 213 HB2 GLN 31 1HB GLN 31 -12.770 1.919 -12.536 214 HB3 GLN 31 2HB GLN 31 -13.441 1.348 -14.058 215 HG2 GLN 31 1HG GLN 31 -15.639 1.531 -13.295 216 HG3 GLN 31 2HG GLN 31 -15.139 1.615 -11.607 217 HE21 GLN 31 1HE2 GLN 31 -14.414 3.357 -14.617 218 HE22 GLN 31 2HE2 GLN 31 -14.607 4.938 -13.947 219 H LYS 32 H LYS 32 -10.912 0.091 -11.947 220 HA LYS 32 HA LYS 32 -10.048 -1.801 -14.027 221 HB2 LYS 32 1HB LYS 32 -8.883 0.910 -13.396 222 HB3 LYS 32 2HB LYS 32 -8.009 -0.315 -14.308 223 HG2 LYS 32 1HG LYS 32 -9.994 -0.335 -15.892 224 HG3 LYS 32 2HG LYS 32 -10.521 1.137 -15.073 225 HD2 LYS 32 1HD LYS 32 -8.057 1.907 -15.556 226 HD3 LYS 32 2HD LYS 32 -8.145 0.675 -16.817 227 HE2 LYS 32 1HE LYS 32 -10.352 2.666 -16.556 228 HE3 LYS 32 2HE LYS 32 -8.838 3.153 -17.315 229 HZ1 LYS 32 3HZ LYS 32 -10.785 2.125 -18.708 230 HZ2 LYS 32 1HZ LYS 32 -10.092 0.664 -18.209 231 HZ3 LYS 32 2HZ LYS 32 -9.171 1.781 -19.083 232 HA PRO 33 HA PRO 33 -8.340 -3.184 -10.004 233 HB2 PRO 33 1HB PRO 33 -8.438 -5.822 -10.637 234 HB3 PRO 33 2HB PRO 33 -9.827 -4.936 -9.996 235 HG2 PRO 33 1HG PRO 33 -9.187 -5.663 -12.829 236 HG3 PRO 33 2HG PRO 33 -10.740 -5.743 -11.977 237 HD2 PRO 33 1HD PRO 33 -10.106 -3.721 -13.663 238 HD3 PRO 33 2HD PRO 33 -11.145 -3.489 -12.242 239 H VAL 34 H VAL 34 -6.212 -3.272 -9.668 240 HA VAL 34 HA VAL 34 -4.487 -4.264 -11.844 241 HB VAL 34 HB VAL 34 -3.884 -2.115 -9.808 242 HG11 VAL 34 1HG1 VAL 34 -1.775 -1.858 -11.170 243 HG12 VAL 34 2HG1 VAL 34 -1.866 -3.305 -10.165 244 HG13 VAL 34 3HG1 VAL 34 -2.157 -3.416 -11.901 245 HG21 VAL 34 3HG2 VAL 34 -5.371 -1.429 -11.658 246 HG22 VAL 34 1HG2 VAL 34 -3.810 -0.610 -11.699 247 HG23 VAL 34 2HG2 VAL 34 -4.138 -1.940 -12.810 248 H THR 35 H THR 35 -4.121 -6.333 -11.209 249 HA THR 35 HA THR 35 -3.676 -7.099 -8.501 250 HB THR 35 HB THR 35 -2.908 -8.682 -10.956 251 HG1 THR 35 1HG THR 35 -4.971 -9.039 -11.283 252 HG21 THR 35 3HG2 THR 35 -2.242 -9.331 -8.516 253 HG22 THR 35 1HG2 THR 35 -2.902 -10.557 -9.598 254 HG23 THR 35 2HG2 THR 35 -3.934 -9.806 -8.381 255 H ILE 36 H ILE 36 -1.958 -6.128 -7.541 256 HA ILE 36 HA ILE 36 0.560 -5.772 -8.860 257 HB ILE 36 HB ILE 36 1.379 -5.049 -6.636 258 HG12 ILE 36 1HG1 ILE 36 -1.434 -5.739 -5.763 259 HG13 ILE 36 2HG1 ILE 36 0.045 -6.528 -5.228 260 HG21 ILE 36 1HG2 ILE 36 0.155 -3.016 -6.567 261 HG22 ILE 36 2HG2 ILE 36 0.183 -3.540 -8.250 262 HG23 ILE 36 3HG2 ILE 36 -1.270 -3.775 -7.278 263 HD11 ILE 36 3HD1 ILE 36 -0.495 -3.611 -4.773 264 HD12 ILE 36 1HD1 ILE 36 -0.980 -4.870 -3.637 265 HD13 ILE 36 2HD1 ILE 36 0.727 -4.630 -4.011 266 H ASP 37 H ASP 37 2.534 -6.464 -7.265 267 HA ASP 37 HA ASP 37 2.977 -9.160 -7.727 268 HB2 ASP 37 1HB ASP 37 4.262 -7.100 -5.996 269 HB3 ASP 37 2HB ASP 37 4.701 -8.786 -5.734 270 H CYS 38 H CYS 38 1.816 -7.561 -4.787 271 HA CYS 38 HA CYS 38 1.758 -9.853 -3.152 272 HB2 CYS 38 1HB CYS 38 0.747 -8.520 -1.572 273 HB3 CYS 38 2HB CYS 38 1.460 -7.285 -2.604 274 H GLY 39 H GLY 39 -0.437 -8.630 -5.566 275 HA2 GLY 39 1HA GLY 39 -1.895 -10.253 -6.650 276 HA3 GLY 39 2HA GLY 39 -2.173 -10.966 -5.068 277 H HIS 40 H HIS 40 -2.777 -8.849 -3.498 278 HA HIS 40 HA HIS 40 -5.410 -8.424 -3.689 279 HB2 HIS 40 1HB HIS 40 -3.360 -6.365 -2.850 280 HB3 HIS 40 2HB HIS 40 -5.086 -6.236 -2.523 281 HD2 HIS 40 2HD HIS 40 -5.066 -9.635 -1.712 282 HE1 HIS 40 1HE HIS 40 -2.958 -8.047 1.610 283 HE2 HIS 40 2HE HIS 40 -4.148 -10.057 0.670 284 H ASN 41 H ASN 41 -6.849 -6.969 -4.627 285 HA ASN 41 HA ASN 41 -5.840 -5.677 -7.067 286 HB2 ASN 41 1HB ASN 41 -8.722 -6.322 -6.440 287 HB3 ASN 41 2HB ASN 41 -8.018 -5.926 -8.006 288 HD21 ASN 41 1HD2 ASN 41 -5.763 -7.532 -7.939 289 HD22 ASN 41 2HD2 ASN 41 -6.253 -9.188 -7.983 290 H PHE 42 H PHE 42 -5.840 -3.533 -7.222 291 HA PHE 42 HA PHE 42 -7.539 -1.993 -5.374 292 HB2 PHE 42 1HB PHE 42 -4.685 -1.417 -6.189 293 HB3 PHE 42 2HB PHE 42 -5.709 -0.286 -5.310 294 HD1 PHE 42 1HD PHE 42 -6.650 -1.057 -3.060 295 HD2 PHE 42 2HD PHE 42 -3.425 -2.996 -5.048 296 HE1 PHE 42 1HE PHE 42 -5.960 -2.081 -0.932 297 HE2 PHE 42 2HE PHE 42 -2.730 -4.025 -2.924 298 HZ PHE 42 HZ PHE 42 -3.998 -3.569 -0.863 299 H CYS 43 H CYS 43 -7.737 0.354 -6.126 300 HA CYS 43 HA CYS 43 -8.357 0.313 -8.993 301 HB2 CYS 43 1HB CYS 43 -10.091 1.769 -8.584 302 HB3 CYS 43 2HB CYS 43 -10.032 0.923 -7.040 303 H LEU 44 H LEU 44 -7.581 1.835 -10.401 304 HA LEU 44 HA LEU 44 -5.071 2.865 -10.121 305 HB2 LEU 44 1HB LEU 44 -6.333 2.741 -12.234 306 HB3 LEU 44 2HB LEU 44 -7.309 4.113 -11.711 307 HG LEU 44 HG LEU 44 -5.210 5.481 -11.679 308 HD11 LEU 44 1HD1 LEU 44 -3.844 3.213 -11.675 309 HD12 LEU 44 2HD1 LEU 44 -3.195 4.692 -12.380 310 HD13 LEU 44 3HD1 LEU 44 -3.910 3.460 -13.420 311 HD21 LEU 44 3HD2 LEU 44 -5.786 6.158 -13.719 312 HD22 LEU 44 1HD2 LEU 44 -6.871 4.769 -13.787 313 HD23 LEU 44 2HD2 LEU 44 -5.241 4.647 -14.449 314 H LYS 45 H LYS 45 -8.090 4.706 -9.663 315 HA LYS 45 HA LYS 45 -7.098 7.142 -8.938 316 HB2 LYS 45 1HB LYS 45 -9.426 5.753 -7.598 317 HB3 LYS 45 2HB LYS 45 -9.139 7.487 -7.646 318 HG2 LYS 45 1HG LYS 45 -9.600 5.784 -10.084 319 HG3 LYS 45 2HG LYS 45 -10.862 6.689 -9.245 320 HD2 LYS 45 1HD LYS 45 -8.370 8.048 -10.213 321 HD3 LYS 45 2HD LYS 45 -9.729 7.761 -11.302 322 HE2 LYS 45 1HE LYS 45 -11.184 8.916 -9.599 323 HE3 LYS 45 2HE LYS 45 -9.703 9.380 -8.762 324 HZ1 LYS 45 3HZ LYS 45 -8.982 10.483 -10.825 325 HZ2 LYS 45 1HZ LYS 45 -10.400 11.153 -10.192 326 HZ3 LYS 45 2HZ LYS 45 -10.476 10.122 -11.531 327 H CYS 46 H CYS 46 -7.010 4.191 -7.105 328 HA CYS 46 HA CYS 46 -6.130 5.570 -4.689 329 HB2 CYS 46 1HB CYS 46 -7.064 2.824 -5.345 330 HB3 CYS 46 2HB CYS 46 -5.931 2.989 -4.007 331 H ILE 47 H ILE 47 -4.930 2.635 -6.309 332 HA ILE 47 HA ILE 47 -2.431 2.454 -5.388 333 HB ILE 47 HB ILE 47 -3.220 2.187 -8.289 334 HG12 ILE 47 1HG1 ILE 47 -2.869 0.102 -6.124 335 HG13 ILE 47 2HG1 ILE 47 -4.419 0.730 -6.673 336 HG21 ILE 47 1HG2 ILE 47 -0.779 1.044 -6.945 337 HG22 ILE 47 2HG2 ILE 47 -1.211 0.944 -8.651 338 HG23 ILE 47 3HG2 ILE 47 -0.768 2.497 -7.944 339 HD11 ILE 47 3HD1 ILE 47 -2.839 -1.388 -7.751 340 HD12 ILE 47 1HD1 ILE 47 -4.467 -0.871 -8.191 341 HD13 ILE 47 2HD1 ILE 47 -3.066 -0.135 -8.970 342 H THR 48 H THR 48 -3.549 4.902 -7.632 343 HA THR 48 HA THR 48 -0.917 5.953 -8.141 344 HB THR 48 HB THR 48 -3.604 7.213 -8.722 345 HG1 THR 48 1HG THR 48 -3.688 5.914 -10.388 346 HG21 THR 48 3HG2 THR 48 -2.190 8.975 -9.037 347 HG22 THR 48 1HG2 THR 48 -1.996 8.194 -10.606 348 HG23 THR 48 2HG2 THR 48 -0.793 7.943 -9.341 349 H GLN 49 H GLN 49 -3.741 6.959 -6.238 350 HA GLN 49 HA GLN 49 -2.764 9.386 -5.295 351 HB2 GLN 49 1HB GLN 49 -4.789 7.424 -4.349 352 HB3 GLN 49 2HB GLN 49 -4.252 8.646 -3.204 353 HG2 GLN 49 1HG GLN 49 -5.039 10.404 -4.545 354 HG3 GLN 49 2HG GLN 49 -5.226 9.355 -5.949 355 HE21 GLN 49 1HE2 GLN 49 -6.286 9.244 -2.561 356 HE22 GLN 49 2HE2 GLN 49 -7.951 8.950 -2.914 357 H ILE 50 H ILE 50 -2.487 6.152 -3.844 358 HA ILE 50 HA ILE 50 -1.255 6.639 -1.490 359 HB ILE 50 HB ILE 50 -0.536 4.508 -3.501 360 HG12 ILE 50 1HG1 ILE 50 -2.118 4.259 -0.943 361 HG13 ILE 50 2HG1 ILE 50 -2.873 4.623 -2.490 362 HG21 ILE 50 1HG2 ILE 50 0.261 4.701 -0.599 363 HG22 ILE 50 2HG2 ILE 50 0.534 3.313 -1.651 364 HG23 ILE 50 3HG2 ILE 50 1.340 4.846 -1.986 365 HD11 ILE 50 3HD1 ILE 50 -1.240 2.388 -2.924 366 HD12 ILE 50 1HD1 ILE 50 -2.089 2.101 -1.406 367 HD13 ILE 50 2HD1 ILE 50 -3.001 2.453 -2.874 368 H GLY 51 H GLY 51 0.479 6.359 -4.598 369 HA2 GLY 51 1HA GLY 51 2.983 7.153 -3.475 370 HA3 GLY 51 2HA GLY 51 2.610 7.009 -5.187 371 H GLU 52 H GLU 52 2.129 9.121 -2.376 372 HA GLU 52 HA GLU 52 2.221 11.418 -4.220 373 HB2 GLU 52 1HB GLU 52 0.787 12.611 -2.517 374 HB3 GLU 52 2HB GLU 52 -0.013 11.332 -3.419 375 HG2 GLU 52 1HG GLU 52 -0.099 9.916 -1.596 376 HG3 GLU 52 2HG GLU 52 1.209 10.750 -0.758 377 H THR 53 H THR 53 3.544 9.853 -1.520 378 HA THR 53 HA THR 53 5.178 12.229 -0.916 379 HB THR 53 HB THR 53 5.370 11.357 1.433 380 HG1 THR 53 1HG THR 53 3.436 9.959 1.952 381 HG21 THR 53 3HG2 THR 53 2.575 11.804 1.519 382 HG22 THR 53 1HG2 THR 53 3.223 12.780 0.200 383 HG23 THR 53 2HG2 THR 53 3.873 12.957 1.830 384 H SER 54 H SER 54 5.048 8.684 -0.561 385 HA SER 54 HA SER 54 7.775 8.272 -0.132 386 HB2 SER 54 1HB SER 54 7.364 5.977 -0.528 387 HB3 SER 54 2HB SER 54 5.841 6.601 0.106 388 HG SER 54 HG SER 54 5.134 6.780 -2.091 389 H CYS 55 H CYS 55 9.273 7.132 -1.656 390 HA CYS 55 HA CYS 55 9.102 8.369 -4.323 391 HB2 CYS 55 1HB CYS 55 11.369 7.928 -2.440 392 HB3 CYS 55 2HB CYS 55 11.706 7.826 -4.164 393 HG CYS 55 HG CYS 55 11.422 10.375 -4.755 394 H GLY 56 H GLY 56 7.834 6.512 -5.012 395 HA2 GLY 56 1HA GLY 56 7.665 4.559 -6.210 396 HA3 GLY 56 2HA GLY 56 9.419 4.571 -6.326 397 H PHE 57 H PHE 57 8.287 2.171 -6.137 398 HA PHE 57 HA PHE 57 8.338 0.216 -4.977 399 HB2 PHE 57 1HB PHE 57 10.040 1.779 -3.025 400 HB3 PHE 57 2HB PHE 57 9.903 0.026 -3.098 401 HD1 PHE 57 2HD PHE 57 10.960 2.981 -5.079 402 HD2 PHE 57 1HD PHE 57 11.324 -1.214 -4.456 403 HE1 PHE 57 2HE PHE 57 12.822 2.908 -6.685 404 HE2 PHE 57 1HE PHE 57 13.187 -1.294 -6.061 405 HZ PHE 57 HZ PHE 57 13.937 0.769 -7.179 406 H PHE 58 H PHE 58 6.155 1.982 -4.559 407 HA PHE 58 HA PHE 58 5.466 2.308 -1.856 408 HB2 PHE 58 1HB PHE 58 3.307 2.862 -2.607 409 HB3 PHE 58 2HB PHE 58 4.360 3.332 -3.937 410 HD1 PHE 58 1HD PHE 58 4.541 1.837 -5.935 411 HD2 PHE 58 2HD PHE 58 1.613 1.262 -2.899 412 HE1 PHE 58 1HE PHE 58 3.224 0.440 -7.474 413 HE2 PHE 58 2HE PHE 58 0.292 -0.137 -4.433 414 HZ PHE 58 HZ PHE 58 1.097 -0.550 -6.723 415 H LYS 59 H LYS 59 5.185 0.788 -0.377 416 HA LYS 59 HA LYS 59 4.715 -1.955 -1.092 417 HB2 LYS 59 1HB LYS 59 6.047 -0.892 0.938 418 HB3 LYS 59 2HB LYS 59 4.477 -0.993 1.724 419 HG2 LYS 59 1HG LYS 59 4.478 -3.279 1.748 420 HG3 LYS 59 2HG LYS 59 5.529 -3.403 0.335 421 HD2 LYS 59 1HD LYS 59 6.800 -4.095 2.228 422 HD3 LYS 59 2HD LYS 59 7.388 -2.498 1.758 423 HE2 LYS 59 1HE LYS 59 5.219 -2.668 3.787 424 HE3 LYS 59 2HE LYS 59 6.857 -3.099 4.277 425 HZ1 LYS 59 3HZ LYS 59 5.967 -0.635 4.396 426 HZ2 LYS 59 1HZ LYS 59 6.511 -0.607 2.795 427 HZ3 LYS 59 2HZ LYS 59 7.585 -0.980 4.046 428 H CYS 60 H CYS 60 2.826 -2.975 -1.240 429 HA CYS 60 HA CYS 60 0.381 -1.871 -1.422 430 HB2 CYS 60 1HB CYS 60 0.702 -4.191 -1.963 431 HB3 CYS 60 2HB CYS 60 1.070 -4.584 -0.286 432 HA PRO 61 HA PRO 61 -0.732 -0.312 2.552 433 HB2 PRO 61 1HB PRO 61 -3.399 -0.039 2.123 434 HB3 PRO 61 2HB PRO 61 -2.197 1.055 1.428 435 HG2 PRO 61 1HG PRO 61 -3.599 -1.267 0.163 436 HG3 PRO 61 2HG PRO 61 -3.260 0.338 -0.511 437 HD2 PRO 61 1HD PRO 61 -1.765 -1.839 -1.108 438 HD3 PRO 61 2HD PRO 61 -1.081 -0.203 -1.031 439 H LEU 62 H LEU 62 -2.869 -2.815 1.178 440 HA LEU 62 HA LEU 62 -3.991 -3.667 3.597 441 HB2 LEU 62 1HB LEU 62 -3.561 -5.055 0.968 442 HB3 LEU 62 2HB LEU 62 -4.381 -5.834 2.319 443 HG LEU 62 HG LEU 62 -5.321 -3.248 1.094 444 HD11 LEU 62 1HD1 LEU 62 -5.255 -5.592 -0.272 445 HD12 LEU 62 2HD1 LEU 62 -6.457 -4.324 -0.512 446 HD13 LEU 62 3HD1 LEU 62 -6.824 -5.701 0.526 447 HD21 LEU 62 3HD2 LEU 62 -6.152 -3.601 3.315 448 HD22 LEU 62 1HD2 LEU 62 -6.586 -5.269 2.939 449 HD23 LEU 62 2HD2 LEU 62 -7.455 -3.938 2.173 450 H CYS 63 H CYS 63 -1.301 -5.094 1.742 451 HA CYS 63 HA CYS 63 -0.337 -6.290 4.257 452 HB2 CYS 63 1HB CYS 63 0.441 -8.223 3.033 453 HB3 CYS 63 2HB CYS 63 -1.268 -7.984 2.686 454 H LYS 64 H LYS 64 1.972 -6.590 4.405 455 HA LYS 64 HA LYS 64 3.426 -4.506 2.935 456 HB2 LYS 64 1HB LYS 64 4.045 -5.910 5.539 457 HB3 LYS 64 2HB LYS 64 5.121 -4.754 4.764 458 HG2 LYS 64 1HG LYS 64 3.162 -3.121 4.878 459 HG3 LYS 64 2HG LYS 64 2.433 -4.271 6.001 460 HD2 LYS 64 1HD LYS 64 5.217 -3.207 6.391 461 HD3 LYS 64 2HD LYS 64 3.797 -2.355 7.001 462 HE2 LYS 64 1HE LYS 64 4.536 -5.204 7.663 463 HE3 LYS 64 2HE LYS 64 4.845 -3.810 8.697 464 HZ1 LYS 64 3HZ LYS 64 2.394 -3.413 8.658 465 HZ2 LYS 64 1HZ LYS 64 2.865 -4.830 9.454 466 HZ3 LYS 64 2HZ LYS 64 2.212 -4.912 7.896 467 H THR 65 H THR 65 3.736 -5.781 1.045 468 HA THR 65 HA THR 65 5.580 -8.052 1.368 469 HB THR 65 HB THR 65 3.865 -7.333 -1.018 470 HG1 THR 65 1HG THR 65 3.502 -8.990 1.203 471 HG21 THR 65 3HG2 THR 65 4.660 -9.239 -2.093 472 HG22 THR 65 1HG2 THR 65 5.282 -9.942 -0.601 473 HG23 THR 65 2HG2 THR 65 6.114 -8.578 -1.347 474 H SER 66 H SER 66 7.522 -8.107 0.297 475 HA SER 66 HA SER 66 8.710 -5.608 -0.356 476 HB2 SER 66 1HB SER 66 9.890 -7.639 0.615 477 HB3 SER 66 2HB SER 66 9.839 -8.335 -1.004 478 HG SER 66 HG SER 66 11.313 -6.166 -0.036 479 H VAL 67 H VAL 67 7.678 -4.662 -2.084 480 HA VAL 67 HA VAL 67 8.040 -6.019 -4.674 481 HB VAL 67 HB VAL 67 5.715 -4.262 -3.874 482 HG11 VAL 67 1HG1 VAL 67 5.685 -5.753 -6.421 483 HG12 VAL 67 2HG1 VAL 67 5.049 -4.154 -6.031 484 HG13 VAL 67 3HG1 VAL 67 6.772 -4.366 -6.344 485 HG21 VAL 67 3HG2 VAL 67 5.608 -6.534 -2.948 486 HG22 VAL 67 1HG2 VAL 67 4.361 -6.263 -4.165 487 HG23 VAL 67 2HG2 VAL 67 5.800 -7.198 -4.570 488 H ARG 68 H ARG 68 8.911 -4.834 -6.298 489 HA ARG 68 HA ARG 68 9.572 -2.029 -5.684 490 HB2 ARG 68 1HB ARG 68 11.619 -2.271 -6.864 491 HB3 ARG 68 2HB ARG 68 11.490 -3.670 -5.806 492 HG2 ARG 68 1HG ARG 68 10.456 -3.946 -8.569 493 HG3 ARG 68 2HG ARG 68 12.205 -3.871 -8.347 494 HD2 ARG 68 1HD ARG 68 10.553 -5.704 -6.659 495 HD3 ARG 68 2HD ARG 68 10.992 -6.172 -8.302 496 HE ARG 68 HE ARG 68 13.319 -5.344 -7.025 497 HH11 ARG 68 2HH1 ARG 68 10.943 -7.872 -6.731 498 HH12 ARG 68 1HH1 ARG 68 12.055 -9.018 -6.057 499 HH21 ARG 68 2HH2 ARG 68 14.792 -6.843 -6.139 500 HH22 ARG 68 1HH2 ARG 68 14.244 -8.431 -5.720 501 H LYS 69 H LYS 69 9.929 -0.666 -7.656 502 HA LYS 69 HA LYS 69 7.704 -1.083 -9.490 503 HB2 LYS 69 1HB LYS 69 7.976 1.109 -8.395 504 HB3 LYS 69 2HB LYS 69 9.549 1.291 -9.161 505 HG2 LYS 69 1HG LYS 69 8.650 1.687 -11.234 506 HG3 LYS 69 2HG LYS 69 7.153 0.826 -10.868 507 HD2 LYS 69 1HD LYS 69 7.806 3.306 -9.345 508 HD3 LYS 69 2HD LYS 69 7.202 3.450 -10.997 509 HE2 LYS 69 1HE LYS 69 5.287 1.975 -10.317 510 HE3 LYS 69 2HE LYS 69 5.856 2.117 -8.654 511 HZ1 LYS 69 3HZ LYS 69 5.090 4.205 -8.482 512 HZ2 LYS 69 1HZ LYS 69 4.086 3.771 -9.773 513 HZ3 LYS 69 2HZ LYS 69 5.516 4.625 -10.065 514 H ASN 70 H ASN 70 7.998 -2.017 -11.394 515 HA ASN 70 HA ASN 70 10.352 -2.928 -12.453 516 HB2 ASN 70 1HB ASN 70 9.118 -2.835 -14.703 517 HB3 ASN 70 2HB ASN 70 8.366 -3.763 -13.408 518 HD21 ASN 70 1HD2 ASN 70 8.359 -0.600 -14.971 519 HD22 ASN 70 2HD2 ASN 70 6.688 -0.265 -14.686 520 H ALA 71 H ALA 71 12.014 -2.114 -13.588 521 HA ALA 71 HA ALA 71 11.989 0.767 -14.134 522 HB1 ALA 71 3HB ALA 71 14.556 0.071 -14.537 523 HB2 ALA 71 1HB ALA 71 13.900 0.515 -12.961 524 HB3 ALA 71 2HB ALA 71 14.072 -1.185 -13.398 525 H ILE 72 H ILE 72 11.402 1.284 -16.137 526 HA ILE 72 HA ILE 72 12.373 -0.396 -18.356 527 HB ILE 72 HB ILE 72 10.445 0.394 -19.667 528 HG12 ILE 72 1HG1 ILE 72 8.556 1.344 -18.035 529 HG13 ILE 72 2HG1 ILE 72 9.965 1.961 -17.179 530 HG21 ILE 72 1HG2 ILE 72 9.184 -1.314 -18.942 531 HG22 ILE 72 2HG2 ILE 72 10.494 -1.574 -17.792 532 HG23 ILE 72 3HG2 ILE 72 9.064 -0.662 -17.308 533 HD11 ILE 72 3HD1 ILE 72 10.566 2.713 -19.690 534 HD12 ILE 72 1HD1 ILE 72 8.805 2.773 -19.751 535 HD13 ILE 72 2HD1 ILE 72 9.678 3.716 -18.543 536 H ARG 73 H ARG 73 12.328 0.945 -20.494 537 HA ARG 73 HA ARG 73 13.401 3.637 -19.992 538 HB2 ARG 73 1HB ARG 73 15.315 2.193 -20.309 539 HB3 ARG 73 2HB ARG 73 14.605 1.507 -21.764 540 HG2 ARG 73 1HG ARG 73 15.071 3.363 -23.034 541 HG3 ARG 73 2HG ARG 73 15.108 4.440 -21.636 542 HD2 ARG 73 1HD ARG 73 17.154 2.277 -21.975 543 HD3 ARG 73 2HD ARG 73 17.331 3.827 -22.796 544 HE ARG 73 HE ARG 73 17.694 3.296 -19.996 545 HH11 ARG 73 2HH1 ARG 73 16.943 5.725 -22.374 546 HH12 ARG 73 1HH1 ARG 73 17.469 7.045 -21.383 547 HH21 ARG 73 2HH2 ARG 73 18.390 5.026 -18.681 548 HH22 ARG 73 1HH2 ARG 73 18.293 6.646 -19.283
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